#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 n SER 9 N 0.00 -3.55 -0.11 1.45 2.88 -1.26 -4.38 113.62 108.66 2wb1 n SER 9 Ca 0.00 0.59 -0.20 0.00 -1.33 0.00 0.00 58.87 57.93 2wb1 n SER 9 Cb 0.00 -2.15 -0.08 0.00 -0.75 0.00 0.00 64.21 61.23 2wb1 n SER 9 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2wb1 n ILE 10 N -3.11 1.51 -0.24 2.46 5.41 -1.26 -3.16 119.36 120.97 2wb1 n ILE 10 Ca -0.04 -0.08 0.03 0.00 1.00 0.00 0.00 62.75 63.67 2wb1 n ILE 10 Cb 0.30 -2.09 0.15 0.00 -0.71 0.00 0.00 39.64 37.30 2wb1 n ILE 10 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2wb1 h ASP 11 N -1.00 0.33 -0.22 4.38 3.45 -1.99 0.56 116.42 121.93 2wb1 h ASP 11 Ca -0.36 0.09 0.06 0.00 0.43 0.00 0.00 57.03 57.24 2wb1 h ASP 11 Cb 1.23 0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 39.98 2wb1 h ASP 11 CO -0.22 0.17 -0.21 -0.08 -1.57 0.00 0.00 179.24 177.33 2wb1 h GLU 12 N 0.49 -0.21 -0.01 3.56 4.81 -1.82 0.70 114.58 122.10 2wb1 h GLU 12 Ca 0.37 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 2wb1 h GLU 12 Cb 0.49 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2wb1 h GLU 12 CO -0.34 -0.14 -0.36 0.07 -0.73 0.00 0.00 179.01 177.51 2wb1 h ARG 13 N -0.22 0.01 -0.11 1.92 0.11 -1.25 -3.09 114.38 111.75 2wb1 h ARG 13 Ca 0.13 -0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.08 2wb1 h ARG 13 Cb 0.42 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.50 2wb1 h ARG 13 CO -0.35 0.37 -0.44 2.35 0.10 0.00 0.00 179.97 182.00 2wb1 h TRP 14 N 0.01 0.65 -0.99 4.08 2.91 -0.04 -3.19 115.95 119.38 2wb1 h TRP 14 Ca -0.00 -0.28 0.18 0.00 1.13 0.00 0.00 58.89 59.92 2wb1 h TRP 14 Cb 0.65 -0.11 -0.10 0.00 -0.51 0.00 0.00 29.16 29.09 2wb1 h TRP 14 CO 0.00 1.04 0.61 0.87 -1.03 0.00 0.00 178.44 179.93 2wb1 h LYS 15 N 0.08 0.74 0.25 2.65 1.57 -0.81 -1.45 116.57 119.60 2wb1 h LYS 15 Ca -0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2wb1 h LYS 15 Cb 1.07 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2wb1 h LYS 15 CO 0.09 0.49 -0.12 0.28 -0.57 0.00 0.00 179.45 179.62 2wb1 h VAL 16 N 0.76 0.78 0.00 0.50 2.07 -1.56 -2.46 116.25 116.34 2wb1 h VAL 16 Ca 0.55 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.90 2wb1 h VAL 16 Cb 0.86 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2wb1 h VAL 16 CO -0.33 0.04 -0.06 -0.29 0.02 0.00 0.00 177.57 176.95 2wb1 h ILE 17 N -0.42 0.43 0.00 4.57 2.10 -1.44 -0.79 117.51 121.95 2wb1 h ILE 17 Ca -0.03 -0.29 -0.07 0.00 1.08 0.00 0.00 64.86 65.55 2wb1 h ILE 17 Cb 0.32 1.20 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 2wb1 h ILE 17 CO 0.06 0.06 -0.31 -0.08 -1.08 0.00 0.00 178.15 176.79 2wb1 h GLU 18 N 0.00 0.00 0.00 2.19 4.81 -0.83 -2.34 114.58 118.41 2wb1 h GLU 18 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2wb1 h GLU 18 Cb 0.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2wb1 h GLU 18 CO 0.01 0.31 -0.56 0.00 -0.73 0.00 0.00 179.01 178.04 2wb1 h ALA 19 N 1.69 0.70 0.91 2.92 0.00 -0.76 -3.14 119.26 121.58 2wb1 h ALA 19 Ca -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2wb1 h ALA 19 Cb 0.92 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2wb1 h ALA 19 CO 0.04 0.70 -0.44 -0.92 0.00 0.00 0.00 179.25 178.63 2wb1 h TYR 20 N 0.00 -1.14 0.00 0.00 3.20 -1.24 -1.71 116.97 116.09 2wb1 h TYR 20 Ca -0.01 -0.03 -0.65 0.00 3.14 0.00 0.00 58.73 61.19 2wb1 h TYR 20 Cb 1.33 0.38 0.03 0.00 1.54 0.00 0.00 36.73 40.01 2wb1 h TYR 20 CO 0.00 -0.70 2.47 1.19 -1.64 0.00 0.00 178.16 179.48 2wb1 n PHE 21 N -5.61 2.13 0.00 -3.82 3.72 -0.90 -1.38 117.46 111.60 2wb1 n PHE 21 Ca -0.16 -2.02 0.00 0.00 -0.05 0.00 0.00 57.45 55.22 2wb1 n PHE 21 Cb 0.49 -1.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.17 2wb1 n PHE 21 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2wb1 n LYS 22 N 6.69 0.00 0.05 -1.08 4.81 -1.23 -4.87 118.16 122.53 2wb1 n LYS 22 Ca 0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.92 2wb1 n LYS 22 Cb 0.39 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.43 2wb1 n LYS 22 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wb1 h SER 23 N 0.00 -0.13 0.00 3.14 0.87 -0.51 -3.48 113.55 113.44 2wb1 h SER 23 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2wb1 h SER 23 Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2wb1 h SER 23 CO 0.00 0.03 0.00 0.29 -0.53 0.00 0.00 176.83 176.62 2wb1 n LYS 24 N -3.11 0.00 0.00 2.24 4.76 -0.48 -5.08 118.16 116.49 2wb1 n LYS 24 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2wb1 n LYS 24 Cb 0.06 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 2wb1 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wb1 n GLY 25 N 4.37 0.88 7.00 0.72 0.00 -1.22 -4.80 105.19 112.14 2wb1 n GLY 25 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2wb1 n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wb1 n LEU 26 N 0.00 0.00 0.00 0.99 7.94 -1.26 -3.73 117.00 120.94 2wb1 n LEU 26 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wb1 n LEU 26 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wb1 n LEU 26 CO 0.00 0.00 0.15 0.52 -1.11 0.00 0.00 177.39 176.95 2wb1 n VAL 27 N 0.00 0.00 -0.73 1.96 0.31 -1.26 -4.89 118.33 113.71 2wb1 n VAL 27 Ca 0.00 -0.31 -0.18 0.00 -0.01 0.00 0.00 64.34 63.84 2wb1 n VAL 27 Cb 0.00 1.37 -0.05 0.00 -0.91 0.00 0.00 33.84 34.26 2wb1 n VAL 27 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2wb1 n ARG 28 N -0.02 1.90 -0.08 5.55 1.85 -1.24 -4.11 116.66 120.50 2wb1 n ARG 28 Ca 0.00 -1.21 -0.22 0.00 -1.00 0.00 0.00 57.85 55.42 2wb1 n ARG 28 Cb 0.09 -2.25 -0.12 0.00 -1.05 0.00 0.00 32.46 29.13 2wb1 n ARG 28 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2wb1 n GLN 29 N 3.63 0.66 0.09 2.89 1.13 -1.26 -3.79 117.38 120.73 2wb1 n GLN 29 Ca 0.41 0.29 -0.14 0.00 -1.94 0.00 0.00 57.00 55.62 2wb1 n GLN 29 Cb 0.29 -1.62 -0.14 0.00 0.11 0.00 0.00 30.24 28.88 2wb1 n GLN 29 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2wb1 h HIS 30 N -0.37 0.38 -0.55 1.08 3.86 -1.86 -3.05 115.15 114.64 2wb1 h HIS 30 Ca -0.51 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.42 2wb1 h HIS 30 Cb 1.77 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 30.20 2wb1 h HIS 30 CO 0.04 1.22 0.36 -0.07 0.86 0.00 0.00 177.93 180.33 2wb1 h LEU 31 N 0.06 0.65 -0.77 2.43 3.38 -1.83 0.10 115.31 119.32 2wb1 h LEU 31 Ca -0.11 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2wb1 h LEU 31 Cb 1.93 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 2wb1 h LEU 31 CO 0.19 0.48 -0.50 0.44 0.09 0.00 0.00 178.44 179.14 2wb1 h ASP 32 N 0.75 0.00 0.33 -0.43 5.19 -1.65 0.59 116.42 121.19 2wb1 h ASP 32 Ca 0.20 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.28 2wb1 h ASP 32 Cb -0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2wb1 h ASP 32 CO -0.04 0.50 -1.72 -1.28 -3.12 0.00 0.00 179.24 173.58 2wb1 h SER 33 N 0.00 0.38 0.63 6.45 0.87 -1.40 -2.81 113.55 117.67 2wb1 h SER 33 Ca -0.01 -0.64 -0.18 0.00 -1.23 0.00 0.00 61.79 59.74 2wb1 h SER 33 Cb 1.04 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 2wb1 h SER 33 CO 0.07 1.55 -0.80 0.22 -0.53 0.00 0.00 176.83 177.34 2wb1 h TYR 34 N 0.07 0.18 0.75 2.24 3.20 -0.82 -2.17 116.97 120.42 2wb1 h TYR 34 Ca -0.31 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 2wb1 h TYR 34 Cb 2.04 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 40.28 2wb1 h TYR 34 CO 0.06 0.87 -0.46 -0.91 -1.64 0.00 0.00 178.16 176.09 2wb1 h ASN 35 N 0.07 -1.15 -1.17 -2.11 2.35 -0.99 -1.25 115.58 111.32 2wb1 h ASN 35 Ca -0.03 0.06 0.41 0.00 -0.55 0.00 0.00 56.30 56.19 2wb1 h ASN 35 Cb 1.40 0.33 -0.14 0.00 0.05 0.00 0.00 38.32 39.96 2wb1 h ASN 35 CO 0.12 -0.71 0.72 -0.78 -1.65 0.00 0.00 177.43 175.12 2wb1 h ASP 36 N -1.13 0.32 -0.01 5.81 -0.00 -1.50 -0.70 116.42 119.20 2wb1 h ASP 36 Ca -0.10 0.18 -0.01 0.00 -0.00 0.00 0.00 57.03 57.10 2wb1 h ASP 36 Cb 0.91 0.16 -0.00 0.00 -0.00 0.00 0.00 39.33 40.40 2wb1 h ASP 36 CO 0.11 -0.23 -0.02 0.15 -0.00 0.00 0.00 179.24 179.25 2wb1 h PHE 37 N 0.12 0.04 0.00 0.28 3.57 -1.00 -2.12 116.94 117.82 2wb1 h PHE 37 Ca 0.81 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.29 2wb1 h PHE 37 Cb 2.30 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 41.03 2wb1 h PHE 37 CO -0.01 0.54 0.00 1.55 -2.23 0.00 0.00 178.31 178.16 2wb1 n VAL 38 N -4.82 0.69 0.00 1.41 3.14 -0.30 -3.03 118.33 115.42 2wb1 n VAL 38 Ca -0.08 0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2wb1 n VAL 38 Cb 0.27 -0.88 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 2wb1 n VAL 38 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2wb1 n ARG 39 N -2.09 0.00 -0.16 1.45 1.74 -1.00 -4.87 116.66 111.73 2wb1 n ARG 39 Ca 0.04 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.07 2wb1 n ARG 39 Cb 0.30 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.79 2wb1 n ARG 39 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2wb1 h ASN 40 N 0.00 0.37 0.00 0.55 4.21 -1.54 -3.38 115.58 115.79 2wb1 h ASN 40 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2wb1 h ASN 40 Cb 0.00 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 2wb1 h ASN 40 CO 0.00 0.26 0.00 1.17 -1.29 0.00 0.00 177.43 177.57 2wb1 n LYS 41 N -4.88 3.66 0.00 0.81 3.00 -1.10 -4.27 118.16 115.38 2wb1 n LYS 41 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2wb1 n LYS 41 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.15 2wb1 n LYS 41 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2wb1 n LEU 42 N 0.00 0.00 -0.34 3.14 7.94 -1.17 -2.90 117.00 123.67 2wb1 n LEU 42 Ca 0.00 0.00 0.22 0.00 -1.11 0.00 0.00 56.01 55.12 2wb1 n LEU 42 Cb 0.00 0.00 0.46 0.00 0.53 0.00 0.00 43.42 44.41 2wb1 n LEU 42 CO 0.00 0.00 1.18 -0.61 -1.11 0.00 0.00 177.39 176.85 2wb1 h GLN 43 N 0.00 0.43 -0.46 1.96 5.75 -1.81 0.13 115.11 121.12 2wb1 h GLN 43 Ca 0.00 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 2wb1 h GLN 43 Cb 0.00 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 2wb1 h GLN 43 CO 0.00 0.29 0.15 0.93 -2.65 0.00 0.00 178.83 177.55 2wb1 h GLU 44 N 0.45 0.67 -0.23 1.69 5.08 -1.71 -2.98 114.58 117.55 2wb1 h GLU 44 Ca 0.65 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.75 2wb1 h GLU 44 Cb 1.48 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2wb1 h GLU 44 CO -0.43 0.58 -0.48 0.82 -1.00 0.00 0.00 179.01 178.50 2wb1 h ILE 45 N 0.66 1.30 -0.23 3.13 2.04 -1.04 -2.95 117.51 120.43 2wb1 h ILE 45 Ca 0.16 -1.69 0.07 0.00 1.00 0.00 0.00 64.86 64.39 2wb1 h ILE 45 Cb 0.18 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2wb1 h ILE 45 CO -0.01 0.54 0.34 0.40 0.00 0.00 0.00 178.15 179.42 2wb1 h ILE 46 N 0.45 0.28 -0.76 -0.67 1.08 -1.29 -3.39 117.51 113.20 2wb1 h ILE 46 Ca 0.00 0.00 -0.36 0.00 -0.39 0.00 0.00 64.86 64.11 2wb1 h ILE 46 Cb 1.09 0.71 -0.06 0.00 -3.07 0.00 0.00 36.82 35.49 2wb1 h ILE 46 CO 0.11 0.00 0.96 -1.81 -0.69 0.00 0.00 178.15 176.71 2wb1 s ASP 47 N -5.15 5.43 0.00 1.72 -0.00 -1.12 -3.68 116.67 113.87 2wb1 s ASP 47 Ca -0.04 -0.99 0.00 0.00 -0.00 0.00 0.00 52.55 51.52 2wb1 s ASP 47 Cb 0.13 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.49 2wb1 s ASP 47 CO 0.46 -2.51 0.00 -1.84 -0.00 0.00 0.00 175.17 171.28 2wb1 n GLU 48 N 8.78 2.05 0.00 8.23 0.28 -1.26 -5.07 120.64 133.65 2wb1 n GLU 48 Ca 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 2wb1 n GLU 48 Cb 0.48 -0.17 0.00 0.00 1.43 0.00 0.00 31.44 33.17 2wb1 n GLU 48 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2wb1 n GLN 49 N 0.00 0.00 -0.74 3.44 6.02 -1.24 -4.85 117.38 120.01 2wb1 n GLN 49 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 2wb1 n GLN 49 Cb 0.00 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.40 2wb1 n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wb1 n GLY 50 N 0.00 -2.03 0.01 1.08 0.00 -1.25 -4.19 105.19 98.81 2wb1 n GLY 50 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.28 2wb1 n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wb1 n GLU 51 N -2.11 0.70 -2.03 1.61 -0.58 -1.26 -4.90 120.64 112.07 2wb1 n GLU 51 Ca 0.05 -0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.59 2wb1 n GLU 51 Cb 0.56 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 30.14 2wb1 n GLU 51 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2wb1 n ILE 52 N -2.00 -0.44 -1.99 -3.67 5.41 -1.26 -4.86 119.36 110.55 2wb1 n ILE 52 Ca -0.05 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.28 2wb1 n ILE 52 Cb 0.41 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.52 2wb1 n ILE 52 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2wb1 s PRO 53 N -4.25 3.19 0.11 0.38 0.02 -1.26 -4.78 135.00 128.41 2wb1 s PRO 53 Ca 0.00 1.29 0.07 0.00 0.02 0.00 0.00 61.00 62.38 2wb1 s PRO 53 Cb 0.00 -4.24 0.39 0.00 0.02 0.00 0.00 34.50 30.67 2wb1 s PRO 53 CO 0.00 -2.04 1.21 2.41 -0.33 0.00 0.00 177.00 178.25 2wb1 n THR 54 N 7.40 1.63 -1.85 0.99 -1.04 -1.26 -4.49 114.28 115.65 2wb1 n THR 54 Ca 0.23 0.58 -0.42 0.00 -2.04 0.00 0.00 64.05 62.40 2wb1 n THR 54 Cb 0.48 -1.58 -0.03 0.00 -1.82 0.00 0.00 70.33 67.38 2wb1 n THR 54 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wb1 s GLU 55 N -3.17 4.16 -0.55 -2.82 2.02 -1.26 -2.54 118.70 114.55 2wb1 s GLU 55 Ca -0.01 2.40 -0.27 0.00 0.02 0.00 0.00 54.97 57.11 2wb1 s GLU 55 Cb 0.02 -4.00 0.04 0.00 0.10 0.00 0.00 34.13 30.29 2wb1 s GLU 55 CO 0.07 -0.88 0.65 -0.89 0.02 0.00 0.00 175.26 174.22 2wb1 n ILE 56 N 5.40 -4.42 -0.02 -1.63 5.41 -1.26 -4.26 119.36 118.58 2wb1 n ILE 56 Ca 0.18 0.10 0.00 0.00 1.00 0.00 0.00 62.75 64.04 2wb1 n ILE 56 Cb 0.42 -3.73 0.01 0.00 -0.71 0.00 0.00 39.64 35.62 2wb1 n ILE 56 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2wb1 n PRO 57 N -0.87 -0.00 -1.50 0.38 -0.02 -1.05 -1.34 135.00 130.60 2wb1 n PRO 57 Ca -0.13 0.07 -0.29 0.00 -2.02 0.00 0.00 63.50 61.12 2wb1 n PRO 57 Cb 0.67 -0.10 -0.06 0.00 -0.02 0.00 0.00 33.50 33.99 2wb1 n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wb1 n GLY 58 N -1.03 4.29 2.97 -1.23 0.00 -1.26 -4.74 105.19 104.20 2wb1 n GLY 58 Ca 0.01 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 2wb1 n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wb1 s LEU 59 N -1.40 3.82 0.28 0.99 1.98 -0.45 -0.60 118.68 123.31 2wb1 s LEU 59 Ca 0.61 -1.80 0.03 0.00 -2.89 0.00 0.00 54.13 50.09 2wb1 s LEU 59 Cb 0.29 -1.43 -0.06 0.00 0.66 0.00 0.00 46.19 45.65 2wb1 s LEU 59 CO -0.12 -0.33 0.04 -0.54 -1.89 0.00 0.00 176.35 173.51 2wb1 s LYS 60 N 1.12 1.51 -0.10 1.98 1.02 -0.66 -4.06 119.74 120.55 2wb1 s LYS 60 Ca 0.05 -1.81 -0.01 0.00 0.02 0.00 0.00 55.97 54.22 2wb1 s LYS 60 Cb -0.19 -0.72 0.03 0.00 -0.52 0.00 0.00 37.83 36.43 2wb1 s LYS 60 CO -0.10 -0.16 -0.05 0.08 -0.92 0.00 0.00 175.35 174.20 2wb1 s VAL 61 N -3.39 0.82 0.62 3.17 1.01 -1.26 -0.45 120.40 120.92 2wb1 s VAL 61 Ca 0.34 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 2wb1 s VAL 61 Cb 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2wb1 s VAL 61 CO 0.13 0.32 0.96 -0.13 0.00 0.00 0.00 175.10 176.38 2wb1 s ARG 62 N 1.79 3.00 -0.18 2.72 0.52 -0.22 -3.83 118.95 122.74 2wb1 s ARG 62 Ca 0.05 0.21 -0.00 0.00 -0.52 0.00 0.00 55.73 55.47 2wb1 s ARG 62 Cb -0.13 -2.19 0.05 0.00 0.52 0.00 0.00 34.95 33.20 2wb1 s ARG 62 CO -0.07 -0.76 -0.06 -0.51 0.02 0.00 0.00 175.30 173.92 2wb1 s LEU 63 N -5.10 1.86 0.00 2.53 1.43 -1.26 -1.62 118.68 116.52 2wb1 s LEU 63 Ca 0.55 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2wb1 s LEU 63 Cb -0.11 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.12 2wb1 s LEU 63 CO 0.48 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2wb1 n GLY 64 N 4.82 0.23 3.79 -3.19 0.00 0.11 -4.80 105.19 106.15 2wb1 n GLY 64 Ca -0.12 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 2wb1 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s LYS 65 N 0.00 3.10 0.23 1.61 1.02 -1.26 -4.85 119.74 119.59 2wb1 s LYS 65 Ca 0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 55.97 55.49 2wb1 s LYS 65 Cb 0.00 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 2wb1 s LYS 65 CO 0.00 0.65 0.46 0.42 -0.92 0.00 0.00 175.35 175.96 2wb1 s ILE 66 N -1.21 5.12 0.01 2.17 1.09 -1.26 -3.59 121.20 123.53 2wb1 s ILE 66 Ca 0.23 -0.14 0.03 0.00 -1.10 0.00 0.00 60.65 59.68 2wb1 s ILE 66 Cb -0.12 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.55 2wb1 s ILE 66 CO 0.15 -0.22 -0.09 0.00 -0.10 0.00 0.00 174.94 174.67 2wb1 s ARG 67 N -3.36 0.71 -0.24 2.79 1.70 -0.08 -5.00 118.95 115.47 2wb1 s ARG 67 Ca 0.41 -0.47 -0.08 0.00 -0.47 0.00 0.00 55.73 55.12 2wb1 s ARG 67 Cb -0.11 -0.66 -0.04 0.00 -0.57 0.00 0.00 34.95 33.58 2wb1 s ARG 67 CO 0.29 0.17 0.09 0.42 -1.08 0.00 0.00 175.30 175.19 2wb1 s ILE 68 N -0.53 4.65 0.00 4.99 1.09 -1.26 -1.76 121.20 128.38 2wb1 s ILE 68 Ca 0.01 -0.06 0.00 0.00 -1.10 0.00 0.00 60.65 59.49 2wb1 s ILE 68 Cb -0.05 -3.16 0.00 0.00 -1.06 0.00 0.00 42.46 38.18 2wb1 s ILE 68 CO 0.00 0.35 0.00 0.61 -0.10 0.00 0.00 174.94 175.81 2wb1 n GLY 69 N 4.57 -1.98 3.91 6.18 0.00 -0.70 -5.01 105.19 112.15 2wb1 n GLY 69 Ca -0.16 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 2wb1 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s LYS 70 N -1.90 3.50 -0.43 1.61 1.02 -1.26 -4.74 119.74 117.53 2wb1 s LYS 70 Ca 0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 55.63 2wb1 s LYS 70 Cb 0.00 -2.99 -0.15 0.00 -0.52 0.00 0.00 37.83 34.17 2wb1 s LYS 70 CO 0.00 0.57 1.49 -2.30 -0.92 0.00 0.00 175.35 174.19 2wb1 n PRO 71 N 0.31 0.00 -3.79 -1.68 -0.02 -1.26 -4.35 135.00 124.21 2wb1 n PRO 71 Ca -0.05 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.15 2wb1 n PRO 71 Cb 0.51 -0.99 -0.12 0.00 -0.02 0.00 0.00 33.50 32.88 2wb1 n PRO 71 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wb1 s ARG 72 N 5.83 1.86 -0.21 -0.52 0.52 -0.83 -1.63 118.95 123.96 2wb1 s ARG 72 Ca 0.56 -2.71 -0.29 0.00 -0.52 0.00 0.00 55.73 52.77 2wb1 s ARG 72 Cb -0.36 -2.84 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 2wb1 s ARG 72 CO 0.24 -1.24 1.21 0.14 0.02 0.00 0.00 175.30 175.67 2wb1 s VAL 73 N -0.59 4.37 0.63 3.52 -7.23 -1.21 -4.67 120.40 115.23 2wb1 s VAL 73 Ca 0.23 1.64 -0.18 0.00 -1.81 0.00 0.00 61.98 61.86 2wb1 s VAL 73 Cb -0.12 -4.11 -0.04 0.00 0.56 0.00 0.00 36.38 32.67 2wb1 s VAL 73 CO -0.10 -0.21 0.89 0.54 -0.31 0.00 0.00 175.10 175.91 2wb1 n ARG 74 N 6.65 0.73 -3.75 4.82 1.74 -1.26 -3.43 116.66 122.16 2wb1 n ARG 74 Ca 0.13 0.29 -0.30 0.00 -0.77 0.00 0.00 57.85 57.21 2wb1 n ARG 74 Cb 0.45 -2.11 -0.13 0.00 -1.02 0.00 0.00 32.46 29.65 2wb1 n ARG 74 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2wb1 s GLU 75 N -2.82 1.32 0.16 5.56 2.12 0.17 -4.87 118.70 120.33 2wb1 s GLU 75 Ca 0.75 -1.98 -0.32 0.00 0.36 0.00 0.00 54.97 53.78 2wb1 s GLU 75 Cb -0.40 -2.44 -0.10 0.00 0.26 0.00 0.00 34.13 31.45 2wb1 s GLU 75 CO 0.48 -1.13 1.63 -1.12 -0.54 0.00 0.00 175.26 174.59 2wb1 s SER 76 N 0.42 6.53 0.08 -1.70 0.01 -1.24 -0.89 113.70 116.92 2wb1 s SER 76 Ca 0.17 2.67 -0.21 0.00 1.31 0.00 0.00 55.95 59.88 2wb1 s SER 76 Cb -0.24 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.33 2wb1 s SER 76 CO -0.02 -0.88 0.62 -0.62 0.41 0.00 0.00 173.24 172.75 2wb1 s ASP 77 N 1.43 7.12 -1.62 2.44 2.15 -1.26 -4.54 116.67 122.39 2wb1 s ASP 77 Ca 0.72 1.33 -0.19 0.00 0.43 0.00 0.00 52.55 54.85 2wb1 s ASP 77 Cb -0.45 -2.39 0.18 0.00 -0.30 0.00 0.00 42.92 39.96 2wb1 s ASP 77 CO 0.32 0.24 0.60 0.54 -0.17 0.00 0.00 175.17 176.70 2wb1 n ARG 78 N 1.82 -1.91 -4.60 4.34 1.74 -1.22 -4.94 116.66 111.89 2wb1 n ARG 78 Ca -0.09 0.23 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 2wb1 n ARG 78 Cb 0.50 -4.86 -0.09 0.00 -1.02 0.00 0.00 32.46 26.99 2wb1 n ARG 78 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wb1 s GLY 79 N -3.11 2.60 -0.28 -0.13 0.00 -0.06 -4.97 107.32 101.37 2wb1 s GLY 79 Ca 0.70 -1.40 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 2wb1 s GLY 79 CO 0.86 -2.01 0.79 -1.83 0.00 0.00 0.00 173.10 170.92 2wb1 s GLU 80 N -3.80 0.62 0.02 2.90 4.04 -1.26 -0.66 118.70 120.55 2wb1 s GLU 80 Ca 0.23 1.01 0.02 0.00 0.04 0.00 0.00 54.97 56.28 2wb1 s GLU 80 Cb 0.05 0.15 -0.01 0.00 0.02 0.00 0.00 34.13 34.34 2wb1 s GLU 80 CO 0.12 -0.12 -0.06 1.03 -1.84 0.00 0.00 175.26 174.39 2wb1 s ARG 81 N 1.36 0.45 0.15 -4.83 1.81 -1.22 -4.93 118.95 111.74 2wb1 s ARG 81 Ca -0.08 -0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 53.19 2wb1 s ARG 81 Cb -0.05 -0.33 -0.07 0.00 -0.45 0.00 0.00 34.95 34.05 2wb1 s ARG 81 CO -0.16 0.08 1.05 -1.21 -0.68 0.00 0.00 175.30 174.38 2wb1 s GLU 82 N -0.79 4.64 -0.02 3.54 2.02 -1.26 -3.29 118.70 123.53 2wb1 s GLU 82 Ca -0.04 1.61 0.05 0.00 0.02 0.00 0.00 54.97 56.62 2wb1 s GLU 82 Cb -0.06 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 2wb1 s GLU 82 CO 0.00 0.13 -0.18 0.96 0.02 0.00 0.00 175.26 176.19 2wb1 s ILE 83 N -0.13 1.45 0.34 -1.63 -4.36 -0.65 -5.01 121.20 111.21 2wb1 s ILE 83 Ca 0.49 -0.77 -0.26 0.00 -0.26 0.00 0.00 60.65 59.85 2wb1 s ILE 83 Cb -0.27 -1.22 -0.09 0.00 1.25 0.00 0.00 42.46 42.13 2wb1 s ILE 83 CO 0.33 0.41 1.02 -0.55 0.24 0.00 0.00 174.94 176.39 2wb1 s SER 84 N -0.28 7.11 0.48 4.36 0.15 -1.26 -4.91 113.70 119.35 2wb1 s SER 84 Ca 0.04 2.03 0.27 0.00 0.70 0.00 0.00 55.95 58.98 2wb1 s SER 84 Cb -0.09 -2.60 1.32 0.00 -1.71 0.00 0.00 66.02 62.95 2wb1 s SER 84 CO 0.00 -0.24 1.83 -0.65 1.20 0.00 0.00 173.24 175.38 2wb1 h PRO 85 N 3.13 0.18 -0.51 5.44 0.11 -2.00 0.37 132.00 138.72 2wb1 h PRO 85 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2wb1 h PRO 85 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2wb1 h PRO 85 CO 0.65 0.12 0.09 0.52 -0.21 0.00 0.00 178.00 179.16 2wb1 h MET 86 N 0.18 0.80 0.00 1.05 2.86 -1.92 -1.90 114.93 116.00 2wb1 h MET 86 Ca 0.51 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.93 2wb1 h MET 86 Cb 1.69 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.23 2wb1 h MET 86 CO -0.12 0.74 -0.22 0.93 1.06 0.00 0.00 176.91 179.31 2wb1 h GLU 87 N 0.76 0.00 -0.07 1.72 5.08 -0.64 -2.32 114.58 119.12 2wb1 h GLU 87 Ca 0.16 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2wb1 h GLU 87 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2wb1 h GLU 87 CO 0.00 0.22 -0.21 0.00 -1.00 0.00 0.00 179.01 178.03 2wb1 h ALA 88 N 1.78 0.12 0.00 3.43 0.00 -1.09 -2.44 119.26 121.06 2wb1 h ALA 88 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2wb1 h ALA 88 Cb 0.80 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2wb1 h ALA 88 CO 0.03 0.08 -0.11 0.00 0.00 0.00 0.00 179.25 179.25 2wb1 h ARG 89 N -0.23 0.00 0.00 0.00 3.08 -1.15 -1.65 114.38 114.42 2wb1 h ARG 89 Ca -0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2wb1 h ARG 89 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2wb1 h ARG 89 CO 0.04 0.11 -0.84 -0.07 -1.07 0.00 0.00 179.97 178.14 2wb1 h LEU 90 N 0.00 0.00 0.00 3.04 3.38 -1.44 -3.39 115.31 116.90 2wb1 h LEU 90 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2wb1 h LEU 90 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wb1 h LEU 90 CO 0.01 1.09 0.00 0.54 0.09 0.00 0.00 178.44 180.18 2wb1 n ARG 91 N -4.54 0.03 -2.96 1.13 5.12 -0.92 -4.80 116.66 109.72 2wb1 n ARG 91 Ca -0.19 0.35 -0.11 0.00 -1.93 0.00 0.00 57.85 55.97 2wb1 n ARG 91 Cb 0.45 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.30 2wb1 n ARG 91 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2wb1 n ASN 92 N -1.43 -3.51 -4.60 0.55 4.13 -1.19 -4.26 115.26 104.95 2wb1 n ASN 92 Ca 0.02 -0.29 -0.32 0.00 1.68 0.00 0.00 54.58 55.66 2wb1 n ASN 92 Cb 0.06 -2.87 -0.10 0.00 -1.54 0.00 0.00 39.78 35.33 2wb1 n ASN 92 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2wb1 s LEU 93 N -4.27 3.18 -0.18 3.41 1.02 -0.63 -4.23 118.68 116.99 2wb1 s LEU 93 Ca 0.20 -0.15 -0.23 0.00 0.02 0.00 0.00 54.13 53.97 2wb1 s LEU 93 Cb -0.09 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.27 2wb1 s LEU 93 CO 0.38 0.28 0.71 -0.89 0.02 0.00 0.00 176.35 176.84 2wb1 s THR 94 N -1.01 4.97 -0.73 5.49 2.01 -1.26 -2.49 115.64 122.61 2wb1 s THR 94 Ca 0.17 1.36 -0.26 0.00 0.31 0.00 0.00 61.69 63.27 2wb1 s THR 94 Cb -0.11 -4.02 -0.00 0.00 0.01 0.00 0.00 72.50 68.38 2wb1 s THR 94 CO 0.08 0.08 1.66 -0.47 -0.69 0.00 0.00 174.62 175.28 2wb1 s TYR 95 N 1.96 1.94 0.10 4.92 5.04 -0.74 -4.89 117.35 125.68 2wb1 s TYR 95 Ca 0.33 0.37 -0.10 0.00 -2.44 0.00 0.00 57.07 55.22 2wb1 s TYR 95 Cb -0.16 -4.30 0.00 0.00 0.35 0.00 0.00 41.96 37.85 2wb1 s TYR 95 CO 0.11 -2.13 0.23 0.00 -1.34 0.00 0.00 175.55 172.43 2wb1 s ALA 96 N 7.85 -0.32 0.05 3.97 0.00 -1.26 -1.19 121.76 130.85 2wb1 s ALA 96 Ca 0.56 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.02 2wb1 s ALA 96 Cb -0.09 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2wb1 s ALA 96 CO 0.13 -0.55 -0.16 0.00 0.00 0.00 0.00 175.76 175.19 2wb1 s ALA 97 N -3.86 1.33 0.77 0.00 0.00 -1.07 -1.97 121.76 116.95 2wb1 s ALA 97 Ca 0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 2wb1 s ALA 97 Cb 0.04 -0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.01 2wb1 s ALA 97 CO -0.10 0.26 1.17 -1.25 0.00 0.00 0.00 175.76 175.84 2wb1 s PRO 98 N -1.26 1.99 -0.31 0.00 0.04 -1.26 -1.88 135.00 132.32 2wb1 s PRO 98 Ca 0.03 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.60 2wb1 s PRO 98 Cb -0.08 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.64 2wb1 s PRO 98 CO 0.02 -1.91 0.10 -0.51 0.04 0.00 0.00 177.00 174.73 2wb1 s LEU 99 N -5.52 4.02 -0.39 -3.56 1.43 0.92 -1.73 118.68 113.86 2wb1 s LEU 99 Ca 0.70 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 2wb1 s LEU 99 Cb -0.25 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.15 2wb1 s LEU 99 CO 0.49 -0.23 0.20 0.26 0.23 0.00 0.00 176.35 177.29 2wb1 s TRP 100 N 1.48 3.34 -0.17 0.29 0.52 -0.72 -1.01 118.94 122.67 2wb1 s TRP 100 Ca 0.02 -1.59 -0.00 0.00 0.02 0.00 0.00 56.10 54.55 2wb1 s TRP 100 Cb -0.18 -2.76 0.00 0.00 -1.15 0.00 0.00 33.47 29.38 2wb1 s TRP 100 CO 0.03 -0.82 -0.15 -1.17 0.02 0.00 0.00 176.95 174.86 2wb1 s LEU 101 N 1.39 2.45 -0.35 2.99 1.98 -0.05 -0.91 118.68 126.19 2wb1 s LEU 101 Ca 0.02 -0.50 -0.28 0.00 -2.89 0.00 0.00 54.13 50.49 2wb1 s LEU 101 Cb -0.22 -1.57 0.02 0.00 0.66 0.00 0.00 46.19 45.08 2wb1 s LEU 101 CO 0.02 0.06 1.02 -0.89 -1.89 0.00 0.00 176.35 174.66 2wb1 s THR 102 N 0.99 4.52 0.12 3.68 2.01 -1.24 -1.01 115.64 124.71 2wb1 s THR 102 Ca -0.02 1.48 0.01 0.00 0.31 0.00 0.00 61.69 63.46 2wb1 s THR 102 Cb -0.15 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 2wb1 s THR 102 CO -0.03 -0.54 0.27 -0.04 -0.69 0.00 0.00 174.62 173.60 2wb1 s MET 103 N 3.63 3.46 -0.37 4.92 -1.94 -0.26 0.09 119.30 128.84 2wb1 s MET 103 Ca 0.43 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.93 2wb1 s MET 103 Cb -0.12 -2.97 0.12 0.00 2.01 0.00 0.00 34.83 33.87 2wb1 s MET 103 CO 0.18 0.54 0.15 0.42 -0.01 0.00 0.00 175.02 176.30 2wb1 s ILE 104 N -1.67 1.25 0.14 2.53 -1.09 -0.64 -3.85 121.20 117.87 2wb1 s ILE 104 Ca 0.35 -2.00 -0.31 0.00 -2.23 0.00 0.00 60.65 56.47 2wb1 s ILE 104 Cb -0.12 -1.91 -0.08 0.00 -1.58 0.00 0.00 42.46 38.77 2wb1 s ILE 104 CO 0.28 -0.77 1.37 -2.16 -1.23 0.00 0.00 174.94 172.43 2wb1 s PRO 105 N 0.99 4.34 -0.13 2.79 0.04 -1.26 -1.06 135.00 140.71 2wb1 s PRO 105 Ca 0.13 2.07 0.03 0.00 0.04 0.00 0.00 61.00 63.27 2wb1 s PRO 105 Cb -0.21 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2wb1 s PRO 105 CO -0.12 -0.39 -0.22 0.08 0.04 0.00 0.00 177.00 176.40 2wb1 s VAL 106 N 0.82 2.16 -0.52 -0.36 1.01 0.40 -4.62 120.40 119.29 2wb1 s VAL 106 Ca 0.62 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2wb1 s VAL 106 Cb -0.37 -1.86 0.17 0.00 0.00 0.00 0.00 36.38 34.32 2wb1 s VAL 106 CO 0.33 0.55 0.38 -1.61 0.00 0.00 0.00 175.10 174.75 2wb1 s GLU 107 N 0.65 1.51 0.00 2.72 2.02 -1.26 -1.66 118.70 122.69 2wb1 s GLU 107 Ca -0.11 -2.53 0.00 0.00 0.02 0.00 0.00 54.97 52.35 2wb1 s GLU 107 Cb -0.16 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2wb1 s GLU 107 CO 0.02 -1.32 0.00 0.09 0.02 0.00 0.00 175.26 174.07 2wb1 n ASN 108 N 2.62 0.00 -3.94 -0.19 3.02 0.23 -4.88 115.26 112.13 2wb1 n ASN 108 Ca 0.24 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.69 2wb1 n ASN 108 Cb 0.42 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.52 2wb1 n ASN 108 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wb1 s ASN 109 N 0.00 -0.00 -0.14 6.41 4.22 -1.26 -5.09 114.94 119.08 2wb1 s ASN 109 Ca 0.00 -0.84 -0.08 0.00 -2.14 0.00 0.00 52.86 49.80 2wb1 s ASN 109 Cb 0.00 0.46 -0.04 0.00 1.28 0.00 0.00 41.25 42.95 2wb1 s ASN 109 CO 0.00 -0.93 0.14 0.27 -2.04 0.00 0.00 177.10 174.53 2wb1 s ILE 110 N -3.97 5.47 0.00 0.54 -4.36 -1.26 -4.68 121.20 112.95 2wb1 s ILE 110 Ca 0.17 0.20 0.00 0.00 -0.26 0.00 0.00 60.65 60.76 2wb1 s ILE 110 Cb 0.03 -3.41 0.00 0.00 1.25 0.00 0.00 42.46 40.32 2wb1 s ILE 110 CO 0.01 0.58 0.00 1.21 0.24 0.00 0.00 174.94 176.97 2wb1 n GLU 111 N 2.36 0.00 0.00 0.37 0.00 -1.26 -5.10 120.64 117.00 2wb1 n GLU 111 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.97 2wb1 n GLU 111 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.98 2wb1 n GLU 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wb1 n ALA 112 N 1.15 0.00 -0.79 4.31 0.00 -1.26 -4.63 120.51 119.28 2wb1 n ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 112 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wb1 n GLU 113 N 12.89 -2.12 -2.81 0.00 1.02 -1.26 -4.93 120.64 123.44 2wb1 n GLU 113 Ca 0.00 1.63 -0.43 0.00 -0.02 0.00 0.00 57.16 58.34 2wb1 n GLU 113 Cb 0.00 -1.99 -0.04 0.00 -0.02 0.00 0.00 31.44 29.40 2wb1 n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wb1 s PRO 114 N -4.73 3.13 -1.32 3.49 0.04 -1.26 -5.10 135.00 129.25 2wb1 s PRO 114 Ca 0.00 -0.76 -0.18 0.00 0.04 0.00 0.00 61.00 60.11 2wb1 s PRO 114 Cb 0.00 -4.24 0.06 0.00 0.04 0.00 0.00 34.50 30.37 2wb1 s PRO 114 CO 0.00 -1.87 1.80 -1.91 0.04 0.00 0.00 177.00 175.06 2wb1 n GLU 115 N 7.96 3.14 -2.55 4.56 4.07 -1.25 -4.89 120.64 131.67 2wb1 n GLU 115 Ca -0.02 -3.18 -0.41 0.00 -0.06 0.00 0.00 57.16 53.49 2wb1 n GLU 115 Cb 0.46 -3.47 -0.03 0.00 -0.06 0.00 0.00 31.44 28.34 2wb1 n GLU 115 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2wb1 s GLU 116 N 4.12 3.52 -0.09 5.31 2.02 -1.26 -1.10 118.70 131.21 2wb1 s GLU 116 Ca 0.53 -0.99 -0.17 0.00 0.02 0.00 0.00 54.97 54.36 2wb1 s GLU 116 Cb 0.05 -5.20 -0.05 0.00 0.10 0.00 0.00 34.13 29.04 2wb1 s GLU 116 CO 0.06 -2.22 0.46 0.08 0.02 0.00 0.00 175.26 173.66 2wb1 s VAL 117 N 5.17 5.14 -0.01 2.63 1.01 -0.18 -4.84 120.40 129.33 2wb1 s VAL 117 Ca 0.45 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 2wb1 s VAL 117 Cb -0.01 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2wb1 s VAL 117 CO -0.06 0.38 1.26 -0.47 0.00 0.00 0.00 175.10 176.21 2wb1 s TYR 118 N 0.25 3.16 -0.21 5.22 6.14 -1.26 -0.87 117.35 129.79 2wb1 s TYR 118 Ca 0.25 1.12 -0.00 0.00 0.64 0.00 0.00 57.07 59.08 2wb1 s TYR 118 Cb -0.15 -3.49 -0.13 0.00 0.42 0.00 0.00 41.96 38.60 2wb1 s TYR 118 CO 0.11 -1.64 -0.20 -0.89 0.64 0.00 0.00 175.55 173.57 2wb1 n ILE 119 N 4.43 1.17 -2.76 3.14 2.08 -0.18 -4.83 119.36 122.41 2wb1 n ILE 119 Ca 0.11 -0.43 0.00 0.00 0.56 0.00 0.00 62.75 62.99 2wb1 n ILE 119 Cb 0.45 -1.31 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 2wb1 n ILE 119 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wb1 n GLY 120 N 2.40 -0.54 3.45 7.39 0.00 -1.26 -4.36 105.19 112.27 2wb1 n GLY 120 Ca -0.37 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 2wb1 n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 121 N -4.00 3.87 -0.24 1.61 -0.00 -1.26 -0.05 116.67 116.59 2wb1 s ASP 121 Ca 0.00 -0.24 -0.09 0.00 -0.00 0.00 0.00 52.55 52.22 2wb1 s ASP 121 Cb 0.00 -0.80 -0.04 0.00 -0.00 0.00 0.00 42.92 42.08 2wb1 s ASP 121 CO 0.00 0.33 0.11 -0.22 -0.00 0.00 0.00 175.17 175.39 2wb1 s LEU 122 N -0.67 3.77 0.44 1.23 2.96 -0.79 -4.61 118.68 121.01 2wb1 s LEU 122 Ca 0.10 -0.04 -0.25 0.00 -0.22 0.00 0.00 54.13 53.72 2wb1 s LEU 122 Cb -0.11 -2.01 -0.09 0.00 0.50 0.00 0.00 46.19 44.48 2wb1 s LEU 122 CO 0.00 0.03 1.22 -2.65 -1.32 0.00 0.00 176.35 173.63 2wb1 n PRO 123 N 4.53 1.76 -3.83 0.98 -0.02 -1.26 -2.61 135.00 134.54 2wb1 n PRO 123 Ca -0.16 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 2wb1 n PRO 123 Cb 0.52 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 2wb1 n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wb1 s ILE 124 N -1.23 3.74 0.17 4.25 -1.09 -0.33 -4.90 121.20 121.80 2wb1 s ILE 124 Ca 0.63 -0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 58.26 2wb1 s ILE 124 Cb -0.51 -2.78 -0.08 0.00 -1.58 0.00 0.00 42.46 37.50 2wb1 s ILE 124 CO 0.57 0.30 1.32 -0.32 -1.23 0.00 0.00 174.94 175.59 2wb1 s MET 125 N 1.51 4.37 0.28 2.79 -2.45 -1.26 -4.53 119.30 120.01 2wb1 s MET 125 Ca 0.05 2.05 -0.30 0.00 -1.25 0.00 0.00 55.69 56.24 2wb1 s MET 125 Cb -0.15 -3.22 -0.10 0.00 1.25 0.00 0.00 34.83 32.61 2wb1 s MET 125 CO -0.00 -0.30 1.47 -0.51 1.05 0.00 0.00 175.02 176.73 2wb1 s LEU 126 N 0.27 4.37 -0.29 4.11 1.02 -0.91 -2.61 118.68 124.64 2wb1 s LEU 126 Ca 0.59 2.78 0.00 0.00 0.02 0.00 0.00 54.13 57.52 2wb1 s LEU 126 Cb -0.36 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.21 2wb1 s LEU 126 CO 0.36 -0.76 0.00 0.29 0.02 0.00 0.00 176.35 176.26 2wb1 n LYS 127 N 1.95 -1.28 -1.72 1.70 5.02 -1.26 -3.05 118.16 119.51 2wb1 n LYS 127 Ca 0.06 0.46 -0.31 0.00 -2.02 0.00 0.00 58.31 56.50 2wb1 n LYS 127 Cb 0.40 -4.49 0.03 0.00 -0.02 0.00 0.00 35.03 30.94 2wb1 n LYS 127 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wb1 s SER 128 N -2.16 5.72 0.14 4.39 1.04 -1.07 -4.64 113.70 117.11 2wb1 s SER 128 Ca 0.00 1.56 -0.28 0.00 0.48 0.00 0.00 55.95 57.71 2wb1 s SER 128 Cb 0.00 -2.49 -0.06 0.00 0.10 0.00 0.00 66.02 63.57 2wb1 s SER 128 CO 0.00 -1.22 1.44 0.00 0.98 0.00 0.00 173.24 174.45 2wb1 n ALA 129 N -2.90 -0.58 0.26 5.32 0.00 -1.26 -1.01 120.51 120.34 2wb1 n ALA 129 Ca 0.07 0.77 0.08 0.00 0.00 0.00 0.00 53.44 54.36 2wb1 n ALA 129 Cb 0.54 -0.10 0.64 0.00 0.00 0.00 0.00 19.45 20.53 2wb1 n ALA 129 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2wb1 h ILE 130 N 0.00 1.00 -2.91 0.00 6.09 -1.92 -3.42 117.51 116.34 2wb1 h ILE 130 Ca 0.14 -0.02 -0.53 0.00 -1.37 0.00 0.00 64.86 63.08 2wb1 h ILE 130 Cb 0.37 1.01 0.01 0.00 0.47 0.00 0.00 36.82 38.68 2wb1 h ILE 130 CO -0.85 0.01 0.81 -0.62 -3.07 0.00 0.00 178.15 174.43 2wb1 s ASP 131 N -7.05 6.79 0.51 2.19 3.68 -0.18 -4.91 116.67 117.70 2wb1 s ASP 131 Ca -0.05 2.28 0.24 0.00 2.13 0.00 0.00 52.55 57.16 2wb1 s ASP 131 Cb 0.17 -2.57 1.35 0.00 -1.45 0.00 0.00 42.92 40.41 2wb1 s ASP 131 CO 0.67 -0.72 1.97 -0.65 0.13 0.00 0.00 175.17 176.57 2wb1 h PRO 132 N 7.43 0.07 -0.36 4.34 0.11 -1.84 -2.10 132.00 139.64 2wb1 h PRO 132 Ca -0.41 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.78 2wb1 h PRO 132 Cb 1.20 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2wb1 h PRO 132 CO 0.89 0.05 0.25 0.82 -0.21 0.00 0.00 178.00 179.80 2wb1 h ILE 133 N 0.07 0.89 -1.00 4.15 1.08 -1.90 -1.38 117.51 119.43 2wb1 h ILE 133 Ca 0.30 -0.05 0.14 0.00 -0.39 0.00 0.00 64.86 64.86 2wb1 h ILE 133 Cb 1.08 0.73 -0.09 0.00 -3.07 0.00 0.00 36.82 35.47 2wb1 h ILE 133 CO -0.02 0.03 0.63 -1.28 -0.69 0.00 0.00 178.15 176.81 2wb1 h SER 134 N 0.15 0.89 -0.52 1.72 0.87 -1.60 -1.52 113.55 113.54 2wb1 h SER 134 Ca 0.17 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 2wb1 h SER 134 Cb 0.47 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 2wb1 h SER 134 CO -0.02 0.43 -0.16 1.56 -0.53 0.00 0.00 176.83 178.11 2wb1 h GLN 135 N 0.93 1.02 -6.45 2.24 1.08 -1.44 -3.47 115.11 109.02 2wb1 h GLN 135 Ca 0.52 -0.41 -0.61 0.00 -1.45 0.00 0.00 58.65 56.70 2wb1 h GLN 135 Cb 0.61 -0.05 0.10 0.00 -0.05 0.00 0.00 27.48 28.09 2wb1 h GLN 135 CO -0.30 1.09 0.16 0.66 -0.95 0.00 0.00 178.83 179.49 2wb1 n TYR 136 N -4.13 1.28 -1.38 2.96 4.02 -0.58 -4.98 117.16 114.36 2wb1 n TYR 136 Ca 0.01 0.70 -0.31 0.00 -0.01 0.00 0.00 57.90 58.29 2wb1 n TYR 136 Cb 0.43 -2.26 0.09 0.00 -0.02 0.00 0.00 39.34 37.58 2wb1 n TYR 136 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wb1 s THR 137 N -0.91 3.37 0.38 -0.72 -1.32 -1.26 -4.87 115.64 110.31 2wb1 s THR 137 Ca 0.61 0.44 0.12 0.00 -1.21 0.00 0.00 61.69 61.65 2wb1 s THR 137 Cb -0.72 -3.04 0.34 0.00 -1.51 0.00 0.00 72.50 67.57 2wb1 s THR 137 CO 0.59 -0.58 1.88 0.25 -2.21 0.00 0.00 174.62 174.54 2wb1 h LEU 138 N -1.09 0.56 0.00 9.08 6.46 -1.99 -2.04 115.31 126.30 2wb1 h LEU 138 Ca -0.45 0.04 -0.22 0.00 -0.12 0.00 0.00 57.88 57.13 2wb1 h LEU 138 Cb 1.24 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.06 2wb1 h LEU 138 CO 0.54 0.28 -1.14 0.44 -0.62 0.00 0.00 178.44 177.95 2wb1 h ASP 139 N 0.59 0.00 0.25 1.25 5.19 -2.01 -3.28 116.42 118.41 2wb1 h ASP 139 Ca 0.43 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.83 2wb1 h ASP 139 Cb 0.81 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.32 2wb1 h ASP 139 CO -0.18 0.93 -0.13 0.11 -3.12 0.00 0.00 179.24 176.84 2wb1 h LYS 140 N 0.00 -0.34 -1.35 3.56 1.57 -1.76 -2.47 116.57 115.78 2wb1 h LYS 140 Ca -0.08 0.02 0.39 0.00 -1.87 0.00 0.00 60.65 59.11 2wb1 h LYS 140 Cb 1.78 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 34.11 2wb1 h LYS 140 CO 0.11 -0.23 0.96 -0.07 -0.57 0.00 0.00 179.45 179.65 2wb1 h LEU 141 N -0.36 0.05 0.05 2.94 4.07 -1.48 0.22 115.31 120.80 2wb1 h LEU 141 Ca -0.03 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2wb1 h LEU 141 Cb 0.29 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2wb1 h LEU 141 CO 0.04 -0.00 -0.02 0.40 -1.08 0.00 0.00 178.44 177.77 2wb1 h ILE 142 N 0.03 1.31 -0.96 1.22 1.08 -1.51 -2.62 117.51 116.06 2wb1 h ILE 142 Ca 0.66 -1.34 0.27 0.00 -0.39 0.00 0.00 64.86 64.06 2wb1 h ILE 142 Cb 2.54 2.17 -0.14 0.00 -3.07 0.00 0.00 36.82 38.32 2wb1 h ILE 142 CO -0.05 0.33 0.49 -0.33 -0.69 0.00 0.00 178.15 177.89 2wb1 h GLU 143 N -0.68 0.37 0.20 2.37 5.08 -0.34 -2.69 114.58 118.90 2wb1 h GLU 143 Ca -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2wb1 h GLU 143 Cb 0.59 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2wb1 h GLU 143 CO 0.01 0.24 -0.10 0.82 -1.00 0.00 0.00 179.01 178.99 2wb1 h ILE 144 N 0.38 0.89 0.00 3.13 1.08 -1.28 -3.48 117.51 118.23 2wb1 h ILE 144 Ca 0.65 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2wb1 h ILE 144 Cb 1.36 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 2wb1 h ILE 144 CO -0.57 0.15 0.00 0.61 -0.69 0.00 0.00 178.15 177.65 2wb1 n GLY 145 N -0.24 0.23 3.07 5.37 0.00 -1.01 -4.80 105.19 107.81 2wb1 n GLY 145 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 2wb1 n GLY 145 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wb1 s GLU 146 N 0.00 0.55 0.13 1.61 -1.05 -1.02 -4.86 118.70 114.05 2wb1 s GLU 146 Ca 0.00 -1.05 -0.30 0.00 -0.15 0.00 0.00 54.97 53.47 2wb1 s GLU 146 Cb 0.00 0.19 -0.06 0.00 -0.44 0.00 0.00 34.13 33.82 2wb1 s GLU 146 CO 0.00 -0.10 0.99 0.16 0.95 0.00 0.00 175.26 177.26 2wb1 s ASP 147 N -2.55 7.45 0.00 0.83 3.84 -1.26 -4.16 116.67 120.83 2wb1 s ASP 147 Ca 0.01 1.86 0.00 0.00 -0.00 0.00 0.00 52.55 54.42 2wb1 s ASP 147 Cb 0.03 -2.59 0.00 0.00 -1.38 0.00 0.00 42.92 38.98 2wb1 s ASP 147 CO -0.08 -0.09 0.53 -0.81 -0.00 0.00 0.00 175.17 174.73 2wb1 n PRO 148 N 2.67 0.72 0.00 2.11 -0.04 -1.26 -2.40 135.00 136.79 2wb1 n PRO 148 Ca 0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2wb1 n PRO 148 Cb 0.48 -1.18 0.01 0.00 -0.04 0.00 0.00 33.50 32.77 2wb1 n PRO 148 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wb1 n LYS 149 N -0.17 1.61 -2.07 0.54 5.02 -1.26 -5.00 118.16 116.83 2wb1 n LYS 149 Ca 0.00 -0.96 -0.41 0.00 -2.02 0.00 0.00 58.31 54.92 2wb1 n LYS 149 Cb 0.09 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 2wb1 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wb1 s ASP 150 N -1.76 6.73 0.16 4.39 -1.08 -1.01 -4.97 116.67 119.12 2wb1 s ASP 150 Ca 0.15 2.57 0.08 0.00 -0.52 0.00 0.00 52.55 54.83 2wb1 s ASP 150 Cb 0.13 -2.61 -0.11 0.00 -1.46 0.00 0.00 42.92 38.87 2wb1 s ASP 150 CO 0.36 -0.66 1.34 1.55 0.52 0.00 0.00 175.17 178.27 2wb1 h PRO 151 N 5.39 0.00 0.00 4.34 0.13 -1.94 -3.50 132.00 136.42 2wb1 h PRO 151 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wb1 h PRO 151 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wb1 h PRO 151 CO 0.79 0.90 0.00 0.41 -0.23 0.00 0.00 178.00 179.87 2wb1 n GLY 152 N 1.21 -0.22 1.13 1.56 0.00 -1.26 -4.90 105.19 102.71 2wb1 n GLY 152 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2wb1 n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 153 N 0.00 0.74 3.04 -0.02 0.00 -1.17 -4.99 105.19 102.79 2wb1 n GLY 153 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2wb1 n GLY 153 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wb1 s TYR 154 N -2.17 0.29 0.08 1.61 -0.85 -1.26 -4.66 117.35 110.38 2wb1 s TYR 154 Ca 0.00 -0.62 0.02 0.00 -0.52 0.00 0.00 57.07 55.96 2wb1 s TYR 154 Cb 0.00 -0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 2wb1 s TYR 154 CO 0.00 -0.27 0.11 -0.06 -1.52 0.00 0.00 175.55 173.81 2wb1 s PHE 155 N -2.19 3.26 -0.32 -3.49 0.08 0.27 -2.14 117.98 113.45 2wb1 s PHE 155 Ca -0.09 0.11 -0.14 0.00 0.12 0.00 0.00 56.93 56.93 2wb1 s PHE 155 Cb -0.04 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 2wb1 s PHE 155 CO -0.03 0.54 0.31 0.42 -0.10 0.00 0.00 175.22 176.36 2wb1 s ILE 156 N -1.43 5.21 -0.04 0.64 1.01 -1.26 -0.07 121.20 125.26 2wb1 s ILE 156 Ca 0.31 0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.10 2wb1 s ILE 156 Cb -0.12 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 2wb1 s ILE 156 CO 0.23 0.02 -0.17 0.68 0.00 0.00 0.00 174.94 175.70 2wb1 s VAL 157 N 1.93 2.81 0.00 2.92 -7.23 -0.83 -1.80 120.40 118.20 2wb1 s VAL 157 Ca 0.10 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 2wb1 s VAL 157 Cb -0.16 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.70 2wb1 s VAL 157 CO 0.11 0.59 0.00 0.59 -0.31 0.00 0.00 175.10 176.08 2wb1 n ASN 158 N 2.38 -0.48 0.00 4.85 3.02 -1.25 -1.79 115.26 121.99 2wb1 n ASN 158 Ca -0.17 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2wb1 n ASN 158 Cb 0.52 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2wb1 n ASN 158 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb1 n GLY 159 N -0.24 3.27 3.92 7.41 0.00 -1.04 -4.12 105.19 114.39 2wb1 n GLY 159 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 2wb1 n GLY 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wb1 s SER 160 N 0.00 6.02 0.57 1.61 1.04 -0.74 -4.11 113.70 118.09 2wb1 s SER 160 Ca 0.00 0.66 -0.13 0.00 0.48 0.00 0.00 55.95 56.96 2wb1 s SER 160 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 66.02 64.13 2wb1 s SER 160 CO 0.00 -0.67 1.00 -1.61 0.98 0.00 0.00 173.24 172.94 2wb1 s GLU 161 N -4.69 3.73 -0.19 4.02 2.02 -1.26 -1.96 118.70 120.38 2wb1 s GLU 161 Ca 0.48 0.81 -0.07 0.00 0.02 0.00 0.00 54.97 56.21 2wb1 s GLU 161 Cb -0.10 -2.11 0.09 0.00 0.10 0.00 0.00 34.13 32.10 2wb1 s GLU 161 CO 0.42 -0.44 0.40 0.50 0.02 0.00 0.00 175.26 176.16 2wb1 s ARG 162 N -4.73 0.30 -0.14 1.61 6.06 0.90 -3.98 118.95 118.97 2wb1 s ARG 162 Ca 0.56 0.99 0.02 0.00 -2.50 0.00 0.00 55.73 54.80 2wb1 s ARG 162 Cb -0.11 0.27 0.01 0.00 0.06 0.00 0.00 34.95 35.19 2wb1 s ARG 162 CO 0.45 -0.25 -0.20 0.54 -2.50 0.00 0.00 175.30 173.34 2wb1 s VAL 163 N 2.55 1.91 -0.84 7.11 0.11 -0.68 0.97 120.40 131.53 2wb1 s VAL 163 Ca -0.02 -0.89 -0.25 0.00 -2.93 0.00 0.00 61.98 57.90 2wb1 s VAL 163 Cb -0.12 -1.71 -0.00 0.00 -1.53 0.00 0.00 36.38 33.02 2wb1 s VAL 163 CO -0.12 0.52 1.69 -0.63 -3.33 0.00 0.00 175.10 173.23 2wb1 s ILE 164 N 0.94 3.59 0.54 7.04 1.01 -1.26 -1.90 121.20 131.15 2wb1 s ILE 164 Ca -0.05 -0.20 -0.19 0.00 0.00 0.00 0.00 60.65 60.20 2wb1 s ILE 164 Cb -0.15 -4.40 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 2wb1 s ILE 164 CO -0.03 -1.34 1.11 0.54 0.00 0.00 0.00 174.94 175.22 2wb1 s VAL 165 N 7.87 3.27 0.22 2.92 0.11 -0.18 -4.51 120.40 130.09 2wb1 s VAL 165 Ca 0.58 0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 60.11 2wb1 s VAL 165 Cb -0.07 -3.31 -0.08 0.00 -1.53 0.00 0.00 36.38 31.39 2wb1 s VAL 165 CO 0.05 -0.18 1.00 0.28 -3.33 0.00 0.00 175.10 172.92 2wb1 s THR 166 N -1.83 3.99 -0.20 5.04 -1.32 -1.25 -4.83 115.64 115.25 2wb1 s THR 166 Ca 0.72 1.89 -0.08 0.00 -1.21 0.00 0.00 61.69 63.01 2wb1 s THR 166 Cb -0.22 -4.21 -0.04 0.00 -1.51 0.00 0.00 72.50 66.52 2wb1 s THR 166 CO 0.26 0.41 0.08 -1.10 -2.21 0.00 0.00 174.62 172.06 2wb1 s GLN 167 N -0.91 3.96 0.03 7.08 -1.52 -1.12 -0.12 119.66 127.06 2wb1 s GLN 167 Ca 0.44 -0.34 -0.25 0.00 -1.95 0.00 0.00 55.36 53.26 2wb1 s GLN 167 Cb -0.27 -3.27 -0.05 0.00 -0.22 0.00 0.00 33.01 29.19 2wb1 s GLN 167 CO 0.34 0.20 0.76 -2.00 -0.25 0.00 0.00 175.29 174.34 2wb1 s GLU 168 N 0.58 4.48 0.02 2.91 2.12 0.83 -0.84 118.70 128.80 2wb1 s GLU 168 Ca 0.04 1.04 0.05 0.00 0.36 0.00 0.00 54.97 56.47 2wb1 s GLU 168 Cb -0.13 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 2wb1 s GLU 168 CO 0.01 0.26 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.32 2wb1 s ASP 169 N 0.05 1.91 0.31 -1.70 1.11 -0.24 0.43 116.67 118.55 2wb1 s ASP 169 Ca 0.38 -0.41 -0.29 0.00 0.18 0.00 0.00 52.55 52.41 2wb1 s ASP 169 Cb -0.20 -0.16 -0.12 0.00 1.07 0.00 0.00 42.92 43.50 2wb1 s ASP 169 CO 0.22 0.12 1.42 -0.11 1.18 0.00 0.00 175.17 178.00 2wb1 n LEU 170 N 2.18 3.85 -4.59 1.23 0.00 -1.26 -0.67 117.00 117.74 2wb1 n LEU 170 Ca -0.16 1.18 -0.51 0.00 0.00 0.00 0.00 56.01 56.52 2wb1 n LEU 170 Cb 0.54 -1.52 -0.05 0.00 0.00 0.00 0.00 43.42 42.39 2wb1 n LEU 170 CO 0.23 -0.23 0.87 0.00 0.00 0.00 0.00 177.39 178.27 2wb1 n ALA 171 N 1.10 -0.85 -2.08 1.96 0.00 -0.78 -4.69 120.51 115.17 2wb1 n ALA 171 Ca 0.06 0.50 -0.22 0.00 0.00 0.00 0.00 53.44 53.78 2wb1 n ALA 171 Cb 0.36 -2.07 0.03 0.00 0.00 0.00 0.00 19.45 17.76 2wb1 n ALA 171 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wb1 s PRO 172 N 0.31 2.68 0.00 0.00 0.04 -1.26 -4.67 135.00 132.10 2wb1 s PRO 172 Ca 0.82 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2wb1 s PRO 172 Cb -0.92 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2wb1 s PRO 172 CO 0.48 -0.64 0.00 0.09 0.04 0.00 0.00 177.00 176.97 2wb1 n ASN 173 N -2.34 0.00 -4.57 6.66 3.02 1.40 -4.86 115.26 114.56 2wb1 n ASN 173 Ca 0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 2wb1 n ASN 173 Cb 0.59 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.77 2wb1 n ASN 173 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2wb1 n ARG 174 N 0.00 1.15 -2.25 3.52 1.85 -1.26 -4.22 116.66 115.45 2wb1 n ARG 174 Ca 0.00 0.41 -0.43 0.00 -1.00 0.00 0.00 57.85 56.84 2wb1 n ARG 174 Cb 0.00 -1.89 -0.02 0.00 -1.05 0.00 0.00 32.46 29.49 2wb1 n ARG 174 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wb1 s VAL 175 N -1.29 3.88 -0.45 8.89 1.01 -1.26 -4.31 120.40 126.87 2wb1 s VAL 175 Ca 0.63 0.99 -0.03 0.00 0.00 0.00 0.00 61.98 63.57 2wb1 s VAL 175 Cb -0.58 -3.91 0.12 0.00 0.00 0.00 0.00 36.38 32.01 2wb1 s VAL 175 CO 0.57 -0.38 0.26 -0.76 0.00 0.00 0.00 175.10 174.79 2wb1 s LEU 176 N 4.87 5.29 0.57 3.92 1.43 -0.77 -4.89 118.68 129.10 2wb1 s LEU 176 Ca 0.65 -2.17 -0.18 0.00 -1.03 0.00 0.00 54.13 51.40 2wb1 s LEU 176 Cb -0.21 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2wb1 s LEU 176 CO 0.27 -0.53 1.09 -0.69 0.23 0.00 0.00 176.35 176.72 2wb1 s VAL 177 N 0.95 3.43 -0.07 -1.59 1.01 -1.26 0.87 120.40 123.73 2wb1 s VAL 177 Ca 0.10 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 2wb1 s VAL 177 Cb -0.23 -3.29 0.11 0.00 0.00 0.00 0.00 36.38 32.97 2wb1 s VAL 177 CO -0.04 -0.29 0.89 -0.62 0.00 0.00 0.00 175.10 175.04 2wb1 s ASP 178 N -2.22 -0.42 -0.35 3.32 -1.08 0.84 -3.01 116.67 113.75 2wb1 s ASP 178 Ca 0.68 0.26 -0.15 0.00 -0.52 0.00 0.00 52.55 52.83 2wb1 s ASP 178 Cb -0.20 0.38 -0.01 0.00 -1.46 0.00 0.00 42.92 41.63 2wb1 s ASP 178 CO 0.31 -0.52 0.33 -0.89 0.52 0.00 0.00 175.17 174.92 2wb1 s THR 179 N -2.07 5.20 -0.40 1.71 2.01 -1.26 0.11 115.64 120.94 2wb1 s THR 179 Ca -0.00 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 61.93 2wb1 s THR 179 Cb -0.01 -3.82 0.41 0.00 0.01 0.00 0.00 72.50 69.10 2wb1 s THR 179 CO -0.02 -0.11 1.36 0.61 -0.69 0.00 0.00 174.62 175.77 2wb1 n GLY 180 N 5.03 2.89 0.74 4.40 0.00 0.16 -4.75 105.19 113.65 2wb1 n GLY 180 Ca -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2wb1 n GLY 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 181 N -0.06 0.00 -0.30 1.61 5.02 -1.05 -3.94 118.16 119.45 2wb1 n LYS 181 Ca 0.25 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.68 2wb1 n LYS 181 Cb 0.98 -1.12 0.39 0.00 -0.02 0.00 0.00 35.03 35.26 2wb1 n LYS 181 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2wb1 h THR 182 N 0.37 0.75 0.00 -0.18 2.02 -1.85 -3.45 112.91 110.57 2wb1 h THR 182 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2wb1 h THR 182 Cb 0.00 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2wb1 h THR 182 CO 0.00 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.62 2wb1 n GLY 183 N -1.42 0.21 0.00 2.16 0.00 -1.25 -5.18 105.19 99.70 2wb1 n GLY 183 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2wb1 n GLY 183 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wb1 n SER 184 N 0.00 0.00 0.21 1.61 3.41 -1.26 -5.01 113.62 112.57 2wb1 n SER 184 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2wb1 n SER 184 Cb 0.00 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.38 2wb1 n SER 184 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2wb1 h ASN 185 N 0.00 0.00 -3.49 4.04 4.21 -1.98 -3.43 115.58 114.94 2wb1 h ASN 185 Ca 0.00 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.90 2wb1 h ASN 185 Cb 0.00 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 37.08 2wb1 h ASN 185 CO 0.00 0.29 0.22 -0.63 -1.29 0.00 0.00 177.43 176.02 2wb1 s ILE 186 N -3.76 4.91 -0.19 2.81 -1.09 -1.26 -4.41 121.20 118.20 2wb1 s ILE 186 Ca -0.00 1.00 -0.17 0.00 -2.23 0.00 0.00 60.65 59.25 2wb1 s ILE 186 Cb 0.11 -4.02 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 2wb1 s ILE 186 CO 0.66 -0.13 -0.32 0.41 -1.23 0.00 0.00 174.94 174.32 2wb1 n THR 187 N 5.39 1.50 -4.34 2.92 -1.04 -1.22 -4.12 114.28 113.36 2wb1 n THR 187 Ca 0.00 0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 2wb1 n THR 187 Cb 0.49 -2.28 -0.13 0.00 -1.82 0.00 0.00 70.33 66.59 2wb1 n THR 187 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2wb1 s HIS 188 N -2.77 1.51 0.26 -1.42 3.76 -1.26 0.36 115.29 115.73 2wb1 s HIS 188 Ca -0.29 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.18 2wb1 s HIS 188 Cb 0.05 -0.86 -0.02 0.00 1.11 0.00 0.00 32.58 32.87 2wb1 s HIS 188 CO 0.42 0.10 0.33 -0.08 -0.85 0.00 0.00 174.74 174.66 2wb1 s THR 189 N -1.05 0.00 0.02 1.30 -1.32 0.29 -3.00 115.64 111.89 2wb1 s THR 189 Ca 0.03 -1.74 0.01 0.00 -1.21 0.00 0.00 61.69 58.78 2wb1 s THR 189 Cb -0.09 -2.45 -0.02 0.00 -1.51 0.00 0.00 72.50 68.43 2wb1 s THR 189 CO 0.03 0.00 -0.05 0.00 -2.21 0.00 0.00 174.62 172.39 2wb1 s ALA 190 N -3.77 0.32 -0.33 11.08 0.00 -1.15 -0.11 121.76 127.81 2wb1 s ALA 190 Ca 0.33 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.78 2wb1 s ALA 190 Cb 0.03 0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.30 2wb1 s ALA 190 CO 0.15 -0.05 0.06 0.21 0.00 0.00 0.00 175.76 176.13 2wb1 s LYS 191 N -1.13 1.24 -0.27 0.00 2.20 0.25 -3.11 119.74 118.92 2wb1 s LYS 191 Ca -0.09 -1.58 -0.09 0.00 -0.36 0.00 0.00 55.97 53.85 2wb1 s LYS 191 Cb -0.08 -2.78 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 2wb1 s LYS 191 CO -0.00 -0.94 0.12 0.42 -0.36 0.00 0.00 175.35 174.59 2wb1 s ILE 192 N 1.16 4.66 -0.35 5.43 1.01 -1.00 -1.85 121.20 130.26 2wb1 s ILE 192 Ca 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 2wb1 s ILE 192 Cb -0.18 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 39.11 2wb1 s ILE 192 CO -0.14 0.25 0.10 -0.63 0.00 0.00 0.00 174.94 174.53 2wb1 s ILE 193 N 1.66 3.45 -0.17 2.92 -1.09 -1.26 -2.91 121.20 123.79 2wb1 s ILE 193 Ca 0.06 -1.43 -0.14 0.00 -2.23 0.00 0.00 60.65 56.90 2wb1 s ILE 193 Cb -0.16 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 2wb1 s ILE 193 CO 0.06 -0.29 0.32 -0.94 -1.23 0.00 0.00 174.94 172.86 2wb1 s SER 194 N 1.51 6.42 0.08 3.58 1.04 -1.23 0.42 113.70 125.53 2wb1 s SER 194 Ca -0.00 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2wb1 s SER 194 Cb -0.21 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2wb1 s SER 194 CO -0.00 0.05 0.00 -1.54 0.98 0.00 0.00 173.24 172.73 2wb1 n SER 195 N 3.86 0.38 -3.07 7.02 3.41 -1.26 -2.50 113.62 121.46 2wb1 n SER 195 Ca -0.11 0.13 0.05 0.00 -0.26 0.00 0.00 58.87 58.68 2wb1 n SER 195 Cb 0.52 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2wb1 n SER 195 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wb1 s THR 196 N -1.52 -0.13 -1.33 6.66 2.01 -1.26 -3.69 115.64 116.37 2wb1 s THR 196 Ca 0.00 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.09 2wb1 s THR 196 Cb 0.00 -0.10 0.34 0.00 0.01 0.00 0.00 72.50 72.75 2wb1 s THR 196 CO 0.00 0.00 1.17 0.00 -0.69 0.00 0.00 174.62 175.10 2wb1 n ALA 197 N 4.80 2.79 -2.98 7.40 0.00 0.54 -5.00 120.51 128.06 2wb1 n ALA 197 Ca 0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 2wb1 n ALA 197 Cb 0.59 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 2wb1 n ALA 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wb1 n ARG 200 N 0.40 -1.92 -3.32 0.00 5.12 -1.26 -4.84 116.66 110.84 2wb1 n ARG 200 Ca 0.12 1.73 -0.25 0.00 -1.93 0.00 0.00 57.85 57.52 2wb1 n ARG 200 Cb 0.49 -2.27 -0.08 0.00 -1.16 0.00 0.00 32.46 29.44 2wb1 n ARG 200 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wb1 n VAL 201 N 1.79 0.54 0.00 1.55 0.31 -1.26 -4.99 118.33 116.27 2wb1 n VAL 201 Ca -0.08 -4.48 0.00 0.00 -0.01 0.00 0.00 64.34 59.77 2wb1 n VAL 201 Cb 0.27 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 2wb1 n VAL 201 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wb1 n PRO 202 N 1.30 3.37 -3.59 5.55 -0.05 -1.24 -4.98 135.00 135.35 2wb1 n PRO 202 Ca 0.25 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.70 2wb1 n PRO 202 Cb 0.47 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 33.89 2wb1 n PRO 202 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 2wb1 s VAL 203 N 1.60 -0.92 -0.15 0.52 0.11 -1.26 -4.60 120.40 115.70 2wb1 s VAL 203 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2wb1 s VAL 203 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2wb1 s VAL 203 CO 0.00 0.00 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.77 2wb1 s THR 204 N 2.83 3.13 -0.02 5.04 2.01 -1.04 -4.99 115.64 122.60 2wb1 s THR 204 Ca -0.04 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 2wb1 s THR 204 Cb -0.11 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 2wb1 s THR 204 CO -0.19 0.50 1.58 -0.63 -0.69 0.00 0.00 174.62 175.19 2wb1 s ILE 205 N 0.66 3.52 -0.17 1.82 1.09 -1.26 -3.50 121.20 123.36 2wb1 s ILE 205 Ca -0.06 0.78 -0.00 0.00 -1.10 0.00 0.00 60.65 60.27 2wb1 s ILE 205 Cb -0.15 -3.50 0.04 0.00 -1.06 0.00 0.00 42.46 37.79 2wb1 s ILE 205 CO 0.02 -0.04 -0.06 -1.61 -0.10 0.00 0.00 174.94 173.16 2wb1 s GLU 206 N 3.33 1.48 0.15 2.79 0.41 -1.15 -4.38 118.70 121.33 2wb1 s GLU 206 Ca 0.70 -0.54 0.08 0.00 -0.41 0.00 0.00 54.97 54.80 2wb1 s GLU 206 Cb -0.34 -2.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.93 2wb1 s GLU 206 CO 0.29 -0.43 -0.17 1.03 -0.49 0.00 0.00 175.26 175.48 2wb1 s ARG 207 N 1.61 1.18 -0.35 1.61 0.52 -1.20 -2.36 118.95 119.96 2wb1 s ARG 207 Ca 0.01 -1.33 -0.00 0.00 -0.52 0.00 0.00 55.73 53.88 2wb1 s ARG 207 Cb -0.15 -1.20 0.12 0.00 0.52 0.00 0.00 34.95 34.24 2wb1 s ARG 207 CO -0.08 0.24 0.18 -0.51 0.02 0.00 0.00 175.30 175.15 2wb1 s LEU 208 N -2.53 1.55 0.78 2.53 1.43 -1.18 -1.75 118.68 119.50 2wb1 s LEU 208 Ca 0.13 -2.00 -0.07 0.00 -1.03 0.00 0.00 54.13 51.16 2wb1 s LEU 208 Cb -0.06 -0.63 0.13 0.00 0.03 0.00 0.00 46.19 45.66 2wb1 s LEU 208 CO 0.05 -0.35 1.09 -0.54 0.23 0.00 0.00 176.35 176.84 2wb1 s LYS 209 N 1.22 1.51 0.00 1.70 1.02 -0.61 -2.91 119.74 121.66 2wb1 s LYS 209 Ca 0.14 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.44 2wb1 s LYS 209 Cb -0.21 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 2wb1 s LYS 209 CO -0.12 -1.67 0.00 -3.47 -0.92 0.00 0.00 175.35 169.17 2wb1 n ASP 210 N -3.12 0.00 0.00 2.83 -0.08 -1.22 -4.11 116.55 110.85 2wb1 n ASP 210 Ca 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 2wb1 n ASP 210 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 2wb1 n ASP 210 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wb1 n GLY 211 N 0.00 0.27 3.10 0.27 0.00 -1.16 -3.45 105.19 104.21 2wb1 n GLY 211 Ca 0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2wb1 n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wb1 s THR 212 N 0.00 3.18 0.24 2.61 2.01 -1.26 -4.79 115.64 117.63 2wb1 s THR 212 Ca 0.00 -2.21 0.00 0.00 0.31 0.00 0.00 61.69 59.79 2wb1 s THR 212 Cb 0.00 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.32 2wb1 s THR 212 CO 0.00 -0.70 0.00 0.49 -0.69 0.00 0.00 174.62 173.72 2wb1 n PHE 213 N 4.40 -3.26 -3.99 4.92 3.01 -1.26 -4.86 117.46 116.42 2wb1 n PHE 213 Ca -0.00 0.77 -0.12 0.00 1.01 0.00 0.00 57.45 59.11 2wb1 n PHE 213 Cb 0.41 2.08 -0.13 0.00 -0.01 0.00 0.00 39.48 41.83 2wb1 n PHE 213 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2wb1 s HIS 214 N -2.00 0.28 -0.16 1.38 3.76 -1.26 0.36 115.29 117.65 2wb1 s HIS 214 Ca 0.00 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.62 2wb1 s HIS 214 Cb 0.00 -0.18 -0.03 0.00 1.11 0.00 0.00 32.58 33.48 2wb1 s HIS 214 CO 0.00 -0.07 -0.04 0.08 -0.85 0.00 0.00 174.74 173.86 2wb1 s VAL 215 N -0.67 3.81 0.21 -0.90 1.01 0.27 -1.57 120.40 122.56 2wb1 s VAL 215 Ca -0.06 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2wb1 s VAL 215 Cb -0.05 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2wb1 s VAL 215 CO -0.00 0.48 0.34 -0.94 0.00 0.00 0.00 175.10 174.98 2wb1 s SER 216 N 0.49 6.33 -0.29 3.32 1.04 -0.72 -1.68 113.70 122.19 2wb1 s SER 216 Ca -0.04 0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.39 2wb1 s SER 216 Cb -0.14 -1.88 0.13 0.00 0.10 0.00 0.00 66.02 64.22 2wb1 s SER 216 CO 0.03 -0.03 0.75 0.12 0.98 0.00 0.00 173.24 175.09 2wb1 s PHE 217 N -1.91 -1.08 0.12 5.02 5.36 -1.26 -3.25 117.98 120.98 2wb1 s PHE 217 Ca 0.34 1.96 0.25 0.00 -0.96 0.00 0.00 56.93 58.53 2wb1 s PHE 217 Cb -0.10 0.65 0.97 0.00 -0.34 0.00 0.00 43.02 44.21 2wb1 s PHE 217 CO 0.29 -0.54 1.85 -1.00 -1.46 0.00 0.00 175.22 174.36 2wb1 h PRO 218 N 7.49 0.00 0.00 10.12 0.13 -1.99 -3.14 132.00 144.61 2wb1 h PRO 218 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 2wb1 h PRO 218 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2wb1 h PRO 218 CO 0.12 0.19 -0.49 0.00 -0.23 0.00 0.00 178.00 177.59 2wb1 h ALA 219 N 1.81 0.77 -2.70 -0.56 0.00 -1.96 -3.40 119.26 113.23 2wb1 h ALA 219 Ca -0.00 -0.17 -0.60 0.00 0.00 0.00 0.00 54.91 54.13 2wb1 h ALA 219 Cb 0.72 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.12 2wb1 h ALA 219 CO 0.02 0.21 -0.79 0.08 0.00 0.00 0.00 179.25 178.78 2wb1 s VAL 220 N -3.17 1.52 0.89 0.00 1.01 -1.19 -4.99 120.40 114.47 2wb1 s VAL 220 Ca 0.04 -3.39 -0.12 0.00 0.00 0.00 0.00 61.98 58.50 2wb1 s VAL 220 Cb 0.07 -2.02 0.07 0.00 0.00 0.00 0.00 36.38 34.50 2wb1 s VAL 220 CO 0.73 -1.13 0.78 -0.81 0.00 0.00 0.00 175.10 174.68 2wb1 n PRO 221 N 2.46 -0.20 0.00 2.72 -0.04 -1.25 -3.70 135.00 134.98 2wb1 n PRO 221 Ca 0.25 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2wb1 n PRO 221 Cb 0.42 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2wb1 n PRO 221 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wb1 n GLY 222 N 0.97 3.14 1.02 0.55 0.00 -1.26 -4.95 105.19 104.66 2wb1 n GLY 222 Ca 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2wb1 n GLY 222 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 223 N 0.00 -1.82 -5.06 1.61 5.02 -1.24 -5.06 118.16 111.61 2wb1 n LYS 223 Ca 0.00 1.63 -0.32 0.00 -2.02 0.00 0.00 58.31 57.59 2wb1 n LYS 223 Cb 0.00 -1.40 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 2wb1 n LYS 223 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wb1 s ILE 224 N -0.17 2.58 -0.33 -0.18 -1.09 -0.67 -4.91 121.20 116.42 2wb1 s ILE 224 Ca 0.00 -0.88 -0.44 0.00 -2.23 0.00 0.00 60.65 57.10 2wb1 s ILE 224 Cb 0.00 -1.99 -0.19 0.00 -1.58 0.00 0.00 42.46 38.71 2wb1 s ILE 224 CO 0.00 0.57 1.54 -2.65 -1.23 0.00 0.00 174.94 173.17 2wb1 n PRO 225 N 2.76 0.34 -0.35 2.79 -0.02 -1.26 -0.56 135.00 138.71 2wb1 n PRO 225 Ca -0.17 0.13 0.23 0.00 -2.02 0.00 0.00 63.50 61.66 2wb1 n PRO 225 Cb 0.52 -1.68 0.47 0.00 -0.02 0.00 0.00 33.50 32.79 2wb1 n PRO 225 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wb1 h PHE 226 N 5.18 0.84 0.00 6.00 3.57 -0.41 -1.70 116.94 130.42 2wb1 h PHE 226 Ca -0.46 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 60.90 2wb1 h PHE 226 Cb 1.37 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2wb1 h PHE 226 CO 0.66 -0.02 -0.82 -0.24 -2.23 0.00 0.00 178.31 175.67 2wb1 h VAL 227 N 0.42 1.41 -0.02 1.41 3.04 -1.88 -2.43 116.25 118.19 2wb1 h VAL 227 Ca 0.67 -2.97 -0.00 0.00 -1.01 0.00 0.00 66.70 63.39 2wb1 h VAL 227 Cb 1.55 2.68 -0.00 0.00 -2.01 0.00 0.00 31.29 33.51 2wb1 h VAL 227 CO -0.45 0.80 0.00 0.40 -1.01 0.00 0.00 177.57 177.32 2wb1 h ILE 228 N 0.00 1.20 -0.01 3.17 2.04 -1.69 -0.57 117.51 121.65 2wb1 h ILE 228 Ca -0.01 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 2wb1 h ILE 228 Cb 1.61 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 2wb1 h ILE 228 CO 0.11 0.16 -0.21 -0.07 0.00 0.00 0.00 178.15 178.13 2wb1 h LEU 229 N -0.21 0.02 -0.53 1.44 3.38 -1.60 -0.34 115.31 117.47 2wb1 h LEU 229 Ca 0.01 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2wb1 h LEU 229 Cb 0.26 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2wb1 h LEU 229 CO 0.00 0.23 -0.62 0.24 0.09 0.00 0.00 178.44 178.39 2wb1 h MET 230 N 0.02 0.41 0.08 1.13 2.86 -1.31 -3.18 114.93 114.95 2wb1 h MET 230 Ca 0.00 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2wb1 h MET 230 Cb 0.39 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2wb1 h MET 230 CO 0.03 0.90 -0.04 -0.09 1.06 0.00 0.00 176.91 178.77 2wb1 h ARG 231 N 0.31 -0.11 0.00 1.72 2.43 -0.46 -3.21 114.38 115.06 2wb1 h ARG 231 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wb1 h ARG 231 Cb 1.15 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2wb1 h ARG 231 CO 0.11 0.21 0.04 0.00 -1.51 0.00 0.00 179.97 178.82 2wb1 n ALA 232 N -2.31 0.99 0.06 2.80 0.00 -0.20 -2.21 120.51 119.64 2wb1 n ALA 232 Ca -0.08 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 2wb1 n ALA 232 Cb 0.20 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 2wb1 n ALA 232 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wb1 h LEU 233 N 0.00 -0.21 0.00 0.00 3.38 -1.55 -3.47 115.31 113.47 2wb1 h LEU 233 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2wb1 h LEU 233 Cb 0.07 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2wb1 h LEU 233 CO 0.00 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.45 2wb1 n GLY 234 N 1.02 0.00 3.64 0.83 0.00 -0.94 -4.58 105.19 105.16 2wb1 n GLY 234 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2wb1 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 235 N 0.00 4.62 -0.17 -0.61 1.01 -1.24 -4.91 121.20 119.90 2wb1 s ILE 235 Ca 0.00 1.71 -0.11 0.00 0.00 0.00 0.00 60.65 62.25 2wb1 s ILE 235 Cb 0.00 -4.33 -0.07 0.00 0.01 0.00 0.00 42.46 38.07 2wb1 s ILE 235 CO 0.00 -0.34 -0.26 0.18 0.00 0.00 0.00 174.94 174.51 2wb1 n LEU 236 N 6.57 1.55 -4.74 2.97 4.77 -1.26 -4.15 117.00 122.72 2wb1 n LEU 236 Ca 0.10 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.93 2wb1 n LEU 236 Cb 0.47 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2wb1 n LEU 236 CO 0.55 0.10 1.07 0.41 -1.33 0.00 0.00 177.39 178.19 2wb1 n THR 237 N -4.03 1.79 0.01 -5.08 -1.04 -1.26 -4.89 114.28 99.77 2wb1 n THR 237 Ca -0.29 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.05 61.18 2wb1 n THR 237 Cb 0.63 -1.81 -0.04 0.00 -1.82 0.00 0.00 70.33 67.30 2wb1 n THR 237 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2wb1 h ASP 238 N 3.16 -0.35 0.23 8.00 3.32 -2.00 -1.81 116.42 126.97 2wb1 h ASP 238 Ca -0.48 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 2wb1 h ASP 238 Cb 1.26 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 2wb1 h ASP 238 CO 0.66 -0.15 -0.17 0.03 -1.72 0.00 0.00 179.24 177.90 2wb1 h ARG 239 N -0.14 0.00 0.00 3.56 3.08 -1.99 -0.45 114.38 118.44 2wb1 h ARG 239 Ca 0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2wb1 h ARG 239 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2wb1 h ARG 239 CO -0.19 0.17 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.25 2wb1 h ASP 240 N 0.00 0.00 0.04 7.04 5.19 -1.72 -2.05 116.42 124.92 2wb1 h ASP 240 Ca -0.00 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.07 2wb1 h ASP 240 Cb 0.33 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 2wb1 h ASP 240 CO 0.02 0.19 -1.88 -0.38 -3.12 0.00 0.00 179.24 174.07 2wb1 n ILE 241 N -3.36 1.61 0.08 0.35 5.41 -0.75 -3.06 119.36 119.64 2wb1 n ILE 241 Ca 0.00 -0.37 -0.12 0.00 1.00 0.00 0.00 62.75 63.26 2wb1 n ILE 241 Cb 0.41 -1.83 -0.05 0.00 -0.71 0.00 0.00 39.64 37.46 2wb1 n ILE 241 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2wb1 h VAL 242 N -0.51 0.50 -0.08 1.39 2.07 -1.18 -3.01 116.25 115.44 2wb1 h VAL 242 Ca -0.46 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 2wb1 h VAL 242 Cb 1.68 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2wb1 h VAL 242 CO -0.13 0.00 -0.64 1.88 0.02 0.00 0.00 177.57 178.70 2wb1 h TYR 243 N -0.37 0.38 -0.10 1.57 -1.99 -1.54 -3.14 116.97 111.79 2wb1 h TYR 243 Ca 0.05 -0.15 0.03 0.00 2.00 0.00 0.00 58.73 60.65 2wb1 h TYR 243 Cb 0.43 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 2wb1 h TYR 243 CO -0.24 0.85 0.09 0.00 -0.00 0.00 0.00 178.16 178.86 2wb1 h ALA 244 N 1.11 1.87 0.14 3.88 0.00 -1.46 -1.52 119.26 123.28 2wb1 h ALA 244 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wb1 h ALA 244 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wb1 h ALA 244 CO 0.10 -0.14 -0.07 0.28 0.00 0.00 0.00 179.25 179.43 2wb1 h VAL 245 N 0.00 1.02 -1.52 0.00 2.07 -1.47 -3.40 116.25 112.94 2wb1 h VAL 245 Ca 0.05 -0.96 0.09 0.00 0.82 0.00 0.00 66.70 66.70 2wb1 h VAL 245 Cb 0.22 1.59 -0.24 0.00 -1.52 0.00 0.00 31.29 31.34 2wb1 h VAL 245 CO -0.00 0.22 0.56 -0.94 0.02 0.00 0.00 177.57 177.43 2wb1 s SER 246 N -5.44 -0.35 0.52 0.57 1.04 -0.58 -4.60 113.70 104.86 2wb1 s SER 246 Ca -0.14 0.44 -0.21 0.00 0.48 0.00 0.00 55.95 56.52 2wb1 s SER 246 Cb 0.01 0.37 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 2wb1 s SER 246 CO 0.58 -0.29 1.20 -0.76 0.98 0.00 0.00 173.24 174.95 2wb1 s LEU 247 N -0.88 3.86 0.00 2.42 1.43 -1.21 -4.22 118.68 120.08 2wb1 s LEU 247 Ca -0.00 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2wb1 s LEU 247 Cb -0.01 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.82 2wb1 s LEU 247 CO -0.00 -1.22 0.00 0.47 0.23 0.00 0.00 176.35 175.83 2wb1 n ASP 248 N -0.96 0.00 0.25 2.29 8.00 -1.26 -4.80 116.55 120.08 2wb1 n ASP 248 Ca 0.10 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.74 2wb1 n ASP 248 Cb 0.48 0.00 0.58 0.00 -0.02 0.00 0.00 41.12 42.16 2wb1 n ASP 248 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2wb1 h PRO 249 N 0.50 0.00 0.00 -0.24 0.11 -1.90 -3.46 132.00 127.02 2wb1 h PRO 249 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wb1 h PRO 249 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wb1 h PRO 249 CO 0.00 0.10 0.00 -1.91 -0.21 0.00 0.00 178.00 175.98 2wb1 n GLU 250 N -3.23 0.00 0.24 1.05 2.13 -1.26 -0.52 120.64 119.05 2wb1 n GLU 250 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.90 2wb1 n GLU 250 Cb 0.36 0.00 0.58 0.00 0.27 0.00 0.00 31.44 32.65 2wb1 n GLU 250 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2wb1 h ILE 251 N 0.00 0.98 -0.71 6.31 2.04 -2.01 -3.26 117.51 120.86 2wb1 h ILE 251 Ca 0.00 -0.54 -0.49 0.00 1.00 0.00 0.00 64.86 64.83 2wb1 h ILE 251 Cb 0.00 1.30 -0.31 0.00 -0.74 0.00 0.00 36.82 37.07 2wb1 h ILE 251 CO 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 178.15 178.11 2wb1 n GLN 252 N -4.17 2.91 -2.30 2.37 -0.00 0.33 -4.46 117.38 112.06 2wb1 n GLN 252 Ca -0.02 -3.69 -0.40 0.00 -0.00 0.00 0.00 57.00 52.88 2wb1 n GLN 252 Cb 0.23 -2.16 0.02 0.00 -0.00 0.00 0.00 30.24 28.32 2wb1 n GLN 252 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2wb1 n ASN 253 N -0.87 7.44 -0.04 2.61 3.02 -1.23 -4.79 115.26 121.40 2wb1 n ASN 253 Ca 0.46 -3.68 -0.15 0.00 -0.03 0.00 0.00 54.58 51.19 2wb1 n ASN 253 Cb 0.91 -1.15 -0.12 0.00 -0.61 0.00 0.00 39.78 38.80 2wb1 n ASN 253 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2wb1 h GLU 254 N 3.79 0.10 -2.23 3.52 5.08 -1.89 -3.38 114.58 119.57 2wb1 h GLU 254 Ca 0.56 -0.12 -0.61 0.00 -1.00 0.00 0.00 59.36 58.19 2wb1 h GLU 254 Cb 0.24 0.04 -0.41 0.00 0.50 0.00 0.00 28.75 29.11 2wb1 h GLU 254 CO 1.27 0.93 -0.54 1.28 -1.00 0.00 0.00 179.01 180.96 2wb1 n LEU 255 N -4.55 3.96 0.07 1.33 4.77 -1.26 -4.37 117.00 116.95 2wb1 n LEU 255 Ca -0.10 -5.47 0.00 0.00 -0.03 0.00 0.00 56.01 50.41 2wb1 n LEU 255 Cb 0.50 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2wb1 n LEU 255 CO 0.37 2.08 0.00 0.49 -1.33 0.00 0.00 177.39 179.00 2wb1 n PHE 256 N 0.74 -1.83 0.63 -1.77 3.01 -1.26 -4.20 117.46 112.78 2wb1 n PHE 256 Ca 0.30 0.35 -0.01 0.00 1.01 0.00 0.00 57.45 59.10 2wb1 n PHE 256 Cb 0.40 1.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.93 2wb1 n PHE 256 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2wb1 n PRO 257 N -2.91 1.47 -2.14 -1.08 -0.02 -1.26 -3.43 135.00 125.63 2wb1 n PRO 257 Ca 0.00 -0.56 -0.02 0.00 -2.02 0.00 0.00 63.50 60.90 2wb1 n PRO 257 Cb 0.00 -1.43 0.05 0.00 -0.02 0.00 0.00 33.50 32.10 2wb1 n PRO 257 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wb1 n SER 258 N 0.16 -0.56 -1.68 2.55 3.41 -1.26 -4.87 113.62 111.38 2wb1 n SER 258 Ca 0.08 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 2wb1 n SER 258 Cb 0.56 0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 2wb1 n SER 258 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2wb1 n LEU 259 N -0.77 0.38 -2.54 1.04 0.00 -1.22 -4.45 117.00 109.44 2wb1 n LEU 259 Ca -0.14 -2.26 -0.21 0.00 0.00 0.00 0.00 56.01 53.41 2wb1 n LEU 259 Cb 0.85 0.08 -0.10 0.00 0.00 0.00 0.00 43.42 44.25 2wb1 n LEU 259 CO -0.10 0.94 2.20 -0.62 0.00 0.00 0.00 177.39 179.80 2wb1 n GLU 260 N 0.03 2.45 0.24 1.96 1.02 -1.26 -4.21 120.64 120.88 2wb1 n GLU 260 Ca -0.04 -1.37 0.10 0.00 -0.02 0.00 0.00 57.16 55.83 2wb1 n GLU 260 Cb 0.96 -2.27 0.60 0.00 -0.02 0.00 0.00 31.44 30.72 2wb1 n GLU 260 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2wb1 h GLN 261 N 4.07 0.00 -3.87 3.49 4.15 -1.96 -3.28 115.11 117.71 2wb1 h GLN 261 Ca 0.43 0.00 -0.43 0.00 0.77 0.00 0.00 58.65 59.42 2wb1 h GLN 261 Cb 0.93 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.65 2wb1 h GLN 261 CO 0.84 0.18 2.30 0.00 -1.93 0.00 0.00 178.83 180.23 2wb1 n ALA 262 N -2.29 3.75 -0.01 3.38 0.00 -1.26 -4.43 120.51 119.65 2wb1 n ALA 262 Ca -0.01 -2.20 -0.17 0.00 0.00 0.00 0.00 53.44 51.05 2wb1 n ALA 262 Cb 0.31 -3.16 -0.10 0.00 0.00 0.00 0.00 19.45 16.49 2wb1 n ALA 262 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wb1 h SER 263 N 7.11 0.55 -0.08 0.00 0.87 -1.96 -3.35 113.55 116.69 2wb1 h SER 263 Ca 0.41 -0.72 -0.10 0.00 -1.23 0.00 0.00 61.79 60.15 2wb1 h SER 263 Cb 0.32 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2wb1 h SER 263 CO 1.58 1.20 -0.32 0.28 -0.53 0.00 0.00 176.83 179.03 2wb1 h SER 264 N -0.05 0.42 -3.30 6.23 0.02 -1.93 -3.46 113.55 111.48 2wb1 h SER 264 Ca -0.06 -0.64 -0.59 0.00 -0.84 0.00 0.00 61.79 59.66 2wb1 h SER 264 Cb 1.26 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.59 2wb1 h SER 264 CO 0.11 0.99 0.42 -0.63 -1.14 0.00 0.00 176.83 176.57 2wb1 s ILE 265 N -3.69 4.87 -0.02 3.27 -1.09 -1.26 -4.90 121.20 118.38 2wb1 s ILE 265 Ca -0.14 1.56 0.01 0.00 -2.23 0.00 0.00 60.65 59.85 2wb1 s ILE 265 Cb 0.04 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 2wb1 s ILE 265 CO 0.78 -0.02 -0.01 0.00 -1.23 0.00 0.00 174.94 174.46 2wb1 n ALA 266 N 5.64 1.96 -2.52 9.38 0.00 -1.26 -4.93 120.51 128.77 2wb1 n ALA 266 Ca 0.05 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 2wb1 n ALA 266 Cb 0.48 0.32 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 2wb1 n ALA 266 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wb1 s ASN 267 N -3.65 5.43 0.21 0.00 0.01 -1.26 -5.02 114.94 110.65 2wb1 s ASN 267 Ca -0.02 -0.42 -0.05 0.00 -0.71 0.00 0.00 52.86 51.66 2wb1 s ASN 267 Cb 0.01 -1.06 0.16 0.00 0.41 0.00 0.00 41.25 40.77 2wb1 s ASN 267 CO 0.06 -0.34 1.63 0.58 -1.51 0.00 0.00 177.10 177.51 2wb1 h VAL 268 N 1.20 1.27 -0.02 1.60 2.07 -1.96 -2.83 116.25 117.58 2wb1 h VAL 268 Ca -0.45 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 2wb1 h VAL 268 Cb 1.25 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2wb1 h VAL 268 CO 0.58 0.44 -0.06 0.44 0.02 0.00 0.00 177.57 178.98 2wb1 h ASP 269 N 0.73 0.09 -0.09 0.57 3.32 -1.95 -3.25 116.42 115.84 2wb1 h ASP 269 Ca 0.11 -0.63 0.03 0.00 0.02 0.00 0.00 57.03 56.55 2wb1 h ASP 269 Cb 0.71 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 2wb1 h ASP 269 CO 0.05 0.71 0.07 0.44 -1.72 0.00 0.00 179.24 178.79 2wb1 h ASP 270 N -0.52 0.00 0.19 6.45 3.32 -1.97 -1.74 116.42 122.14 2wb1 h ASP 270 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2wb1 h ASP 270 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2wb1 h ASP 270 CO 0.01 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 177.44 2wb1 h ALA 271 N 1.94 -0.25 -0.50 3.45 0.00 -1.55 -2.41 119.26 119.94 2wb1 h ALA 271 Ca 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2wb1 h ALA 271 Cb 0.19 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2wb1 h ALA 271 CO -0.00 -0.46 0.17 -0.07 0.00 0.00 0.00 179.25 178.89 2wb1 h LEU 272 N -0.62 0.67 -1.41 0.00 3.38 -1.52 -2.00 115.31 113.80 2wb1 h LEU 272 Ca -0.03 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2wb1 h LEU 272 Cb 0.45 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2wb1 h LEU 272 CO 0.04 0.63 0.44 -0.78 0.09 0.00 0.00 178.44 178.86 2wb1 h ASP 273 N 0.72 0.64 -0.56 -0.43 3.58 -1.28 3.19 116.42 122.28 2wb1 h ASP 273 Ca 0.17 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2wb1 h ASP 273 Cb 0.19 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2wb1 h ASP 273 CO -0.01 0.43 0.00 0.49 -2.88 0.00 0.00 179.24 177.26 2wb1 n PHE 274 N -4.47 1.37 0.00 0.28 3.01 -0.84 -3.61 117.46 113.20 2wb1 n PHE 274 Ca 0.09 -0.53 0.00 0.00 1.01 0.00 0.00 57.45 58.02 2wb1 n PHE 274 Cb 0.19 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 2wb1 n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wb1 n ILE 275 N 0.91 0.00 0.52 4.37 5.41 -0.51 -4.74 119.36 125.32 2wb1 n ILE 275 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.98 2wb1 n ILE 275 Cb 0.83 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 2wb1 n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wb1 n GLY 276 N 3.16 2.09 0.00 7.39 0.00 1.05 -1.20 105.19 117.69 2wb1 n GLY 276 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wb1 n GLY 276 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wb1 n SER 277 N 0.82 0.82 0.18 1.61 3.41 -1.24 -4.44 113.62 114.78 2wb1 n SER 277 Ca 0.00 -0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2wb1 n SER 277 Cb 0.48 0.42 0.16 0.00 -0.26 0.00 0.00 64.21 65.01 2wb1 n SER 277 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wb1 h ARG 278 N 0.00 0.00 0.00 4.33 2.47 -1.46 -3.39 114.38 116.33 2wb1 h ARG 278 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wb1 h ARG 278 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2wb1 h ARG 278 CO 0.00 0.33 0.00 0.28 0.56 0.00 0.00 179.97 181.14 2wb1 n VAL 279 N -3.24 0.00 -3.05 2.04 0.31 -1.14 -4.73 118.33 108.52 2wb1 n VAL 279 Ca 0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.91 2wb1 n VAL 279 Cb 0.62 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.51 2wb1 n VAL 279 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 s ALA 280 N -4.00 3.36 0.00 3.52 0.00 -1.26 -4.93 121.76 118.44 2wb1 s ALA 280 Ca 0.00 -2.18 -0.02 0.00 0.00 0.00 0.00 51.96 49.76 2wb1 s ALA 280 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 2wb1 s ALA 280 CO 0.00 -2.46 2.12 -0.89 0.00 0.00 0.00 175.76 174.53 2wb1 n ILE 281 N 5.60 1.84 0.00 0.00 5.41 -1.26 -4.64 119.36 126.31 2wb1 n ILE 281 Ca -0.07 -0.72 0.00 0.00 1.00 0.00 0.00 62.75 62.96 2wb1 n ILE 281 Cb 0.43 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 2wb1 n ILE 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wb1 n GLY 282 N 2.09 0.52 0.00 7.39 0.00 -1.26 -5.04 105.19 108.89 2wb1 n GLY 282 Ca 0.15 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2wb1 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLN 283 N 0.00 0.73 -2.32 1.61 10.64 -1.26 -5.01 117.38 121.76 2wb1 n GLN 283 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2wb1 n GLN 283 Cb 0.00 -0.94 -0.03 0.00 -0.86 0.00 0.00 30.24 28.41 2wb1 n GLN 283 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2wb1 s LYS 284 N -1.76 3.29 0.15 2.61 1.02 -1.26 -4.88 119.74 118.91 2wb1 s LYS 284 Ca 0.00 0.62 -0.14 0.00 0.02 0.00 0.00 55.97 56.46 2wb1 s LYS 284 Cb 0.00 -4.14 0.04 0.00 -0.52 0.00 0.00 37.83 33.21 2wb1 s LYS 284 CO 0.00 -1.94 1.74 -0.09 -0.92 0.00 0.00 175.35 174.13 2wb1 h ARG 285 N 11.48 0.70 -0.35 1.68 1.12 -1.99 0.35 114.38 127.38 2wb1 h ARG 285 Ca -0.27 -0.10 -0.09 0.00 -1.11 0.00 0.00 59.98 58.40 2wb1 h ARG 285 Cb 1.11 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.93 2wb1 h ARG 285 CO 1.16 0.59 -0.13 0.93 -3.11 0.00 0.00 179.97 179.40 2wb1 h GLU 286 N 0.65 0.71 0.00 0.20 3.07 -1.99 -2.87 114.58 114.34 2wb1 h GLU 286 Ca 0.17 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 2wb1 h GLU 286 Cb 0.11 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2wb1 h GLU 286 CO -0.02 0.89 -0.14 -0.91 -1.40 0.00 0.00 179.01 177.44 2wb1 h ASN 287 N 0.50 0.00 0.15 1.42 2.35 -1.79 0.60 115.58 118.81 2wb1 h ASN 287 Ca 0.08 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.62 2wb1 h ASN 287 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2wb1 h ASN 287 CO 0.04 0.14 -0.83 0.03 -1.65 0.00 0.00 177.43 175.16 2wb1 h ARG 288 N 0.00 0.53 0.00 0.81 3.08 -0.23 -1.89 114.38 116.69 2wb1 h ARG 288 Ca -0.00 -0.48 -0.09 0.00 0.07 0.00 0.00 59.98 59.48 2wb1 h ARG 288 Cb 0.31 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2wb1 h ARG 288 CO 0.02 1.11 -0.41 0.82 -1.07 0.00 0.00 179.97 180.43 2wb1 h ILE 289 N 0.34 0.99 0.13 2.04 2.04 -1.21 -3.28 117.51 118.56 2wb1 h ILE 289 Ca -0.06 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.18 2wb1 h ILE 289 Cb 1.44 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2wb1 h ILE 289 CO 0.15 0.41 -0.06 -0.33 0.00 0.00 0.00 178.15 178.31 2wb1 h GLU 290 N 0.00 -0.17 -1.63 2.37 5.08 -0.65 -2.41 114.58 117.17 2wb1 h GLU 290 Ca -0.00 0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 2wb1 h GLU 290 Cb 0.92 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.11 2wb1 h GLU 290 CO 0.05 0.12 0.30 1.17 -1.00 0.00 0.00 179.01 179.66 2wb1 n LYS 291 N -5.04 1.58 0.00 2.33 4.81 -0.73 -3.26 118.16 117.85 2wb1 n LYS 291 Ca -0.09 -1.14 0.00 0.00 -0.87 0.00 0.00 58.31 56.21 2wb1 n LYS 291 Cb 0.20 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.80 2wb1 n LYS 291 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wb1 n ALA 292 N 0.63 2.42 0.14 3.14 0.00 -1.20 -4.66 120.51 120.98 2wb1 n ALA 292 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 2wb1 n ALA 292 Cb 0.57 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 2wb1 n ALA 292 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wb1 h GLN 293 N 0.00 -0.43 0.00 0.00 4.20 -1.41 0.29 115.11 117.77 2wb1 h GLN 293 Ca 0.00 0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 2wb1 h GLN 293 Cb 0.19 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2wb1 h GLN 293 CO 0.00 -0.28 -0.75 1.96 -0.67 0.00 0.00 178.83 179.09 2wb1 h GLN 294 N -0.44 0.00 -0.95 1.46 4.20 -1.84 -2.52 115.11 115.02 2wb1 h GLN 294 Ca 0.01 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.77 2wb1 h GLN 294 Cb 0.43 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 2wb1 h GLN 294 CO -0.08 0.24 0.61 0.82 -0.67 0.00 0.00 178.83 179.75 2wb1 h ILE 295 N 0.00 1.12 0.06 2.54 1.08 -1.74 -2.22 117.51 118.34 2wb1 h ILE 295 Ca -0.04 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 2wb1 h ILE 295 Cb 1.28 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 2wb1 h ILE 295 CO 0.03 0.21 -0.03 0.40 -0.69 0.00 0.00 178.15 178.08 2wb1 h ILE 296 N 1.15 1.18 -1.01 -0.67 2.04 -0.38 -2.96 117.51 116.86 2wb1 h ILE 296 Ca 0.39 -0.80 0.24 0.00 1.00 0.00 0.00 64.86 65.70 2wb1 h ILE 296 Cb 0.08 1.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 2wb1 h ILE 296 CO -0.15 0.20 0.65 0.44 0.00 0.00 0.00 178.15 179.29 2wb1 h ASP 297 N -0.43 0.48 -0.15 1.72 3.45 -0.99 0.17 116.42 120.67 2wb1 h ASP 297 Ca -0.01 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.53 2wb1 h ASP 297 Cb 0.38 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 2wb1 h ASP 297 CO 0.01 0.12 0.00 2.29 -1.57 0.00 0.00 179.24 180.10 2wb1 n LYS 298 N -4.62 1.58 0.00 3.56 2.85 -0.88 -3.95 118.16 116.70 2wb1 n LYS 298 Ca 0.24 -1.50 0.00 0.00 -1.05 0.00 0.00 58.31 56.00 2wb1 n LYS 298 Cb 0.81 -1.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.99 2wb1 n LYS 298 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2wb1 n TYR 299 N 0.43 0.00 -3.50 5.58 4.02 -0.92 -4.89 117.16 117.88 2wb1 n TYR 299 Ca 0.07 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.57 2wb1 n TYR 299 Cb 0.31 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.53 2wb1 n TYR 299 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2wb1 s PHE 300 N -1.75 3.22 -1.37 -0.72 5.36 0.56 -4.50 117.98 118.78 2wb1 s PHE 300 Ca 0.00 0.05 -0.13 0.00 -0.96 0.00 0.00 56.93 55.89 2wb1 s PHE 300 Cb 0.00 -2.51 0.01 0.00 -0.34 0.00 0.00 43.02 40.18 2wb1 s PHE 300 CO 0.00 -0.29 0.38 1.28 -1.46 0.00 0.00 175.22 175.13 2wb1 n LEU 301 N 5.20 -1.23 0.29 6.12 4.77 -1.26 -4.83 117.00 126.06 2wb1 n LEU 301 Ca -0.12 -1.20 0.17 0.00 -0.03 0.00 0.00 56.01 54.84 2wb1 n LEU 301 Cb 0.51 -1.83 0.83 0.00 -2.33 0.00 0.00 43.42 40.60 2wb1 n LEU 301 CO 0.36 0.57 1.03 -0.65 -1.33 0.00 0.00 177.39 177.37 2wb1 h PRO 302 N -2.07 0.00 0.00 3.23 0.11 -1.79 -2.08 132.00 129.40 2wb1 h PRO 302 Ca -0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.44 2wb1 h PRO 302 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2wb1 h PRO 302 CO 0.61 0.05 0.25 1.12 -0.21 0.00 0.00 178.00 179.81 2wb1 h HIS 303 N 0.00 0.00 0.00 0.65 2.07 -1.88 -3.10 115.15 112.89 2wb1 h HIS 303 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2wb1 h HIS 303 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 2wb1 h HIS 303 CO 0.00 0.00 -0.51 1.28 -3.07 0.00 0.00 177.93 175.63 2wb1 n LEU 304 N -2.66 1.06 -4.16 6.12 4.77 -0.78 -0.34 117.00 121.01 2wb1 n LEU 304 Ca -0.02 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 2wb1 n LEU 304 Cb 0.29 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 2wb1 n LEU 304 CO 0.12 -0.39 -0.41 -0.83 -1.33 0.00 0.00 177.39 174.55 2wb1 s GLY 305 N -3.97 0.79 -0.04 -0.72 0.00 -1.17 -4.94 107.32 97.27 2wb1 s GLY 305 Ca -0.15 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.48 2wb1 s GLY 305 CO 0.22 -1.19 0.00 2.41 0.00 0.00 0.00 173.10 174.54 2wb1 n THR 306 N 0.70 0.26 -3.43 0.90 -1.04 -1.25 -4.34 114.28 106.08 2wb1 n THR 306 Ca -0.17 -0.15 -0.19 0.00 -2.04 0.00 0.00 64.05 61.50 2wb1 n THR 306 Cb 0.57 -0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 68.22 2wb1 n THR 306 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2wb1 s SER 307 N -3.68 5.41 0.28 8.00 1.04 -1.26 -3.95 113.70 119.53 2wb1 s SER 307 Ca -0.03 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2wb1 s SER 307 Cb 0.01 -0.76 0.64 0.00 0.10 0.00 0.00 66.02 66.01 2wb1 s SER 307 CO 0.15 -0.60 1.72 0.00 0.98 0.00 0.00 173.24 175.48 2wb1 h ALA 308 N 0.93 1.33 0.00 5.32 0.00 -1.96 -2.81 119.26 122.08 2wb1 h ALA 308 Ca -0.42 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wb1 h ALA 308 Cb 1.27 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2wb1 h ALA 308 CO 0.53 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.27 2wb1 n ASP 309 N -5.00 3.54 0.00 0.00 9.92 -1.26 -2.52 116.55 121.23 2wb1 n ASP 309 Ca 0.20 -1.92 0.00 0.00 -0.53 0.00 0.00 54.79 52.54 2wb1 n ASP 309 Cb 0.56 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 2wb1 n ASP 309 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2wb1 n ASP 310 N 1.57 0.00 -0.18 -2.24 8.00 -1.06 -4.97 116.55 117.66 2wb1 n ASP 310 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 2wb1 n ASP 310 Cb 0.34 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.46 2wb1 n ASP 310 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2wb1 h ARG 311 N 0.00 -0.15 -0.58 -1.24 3.08 -1.67 0.96 114.38 114.78 2wb1 h ARG 311 Ca 0.00 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.20 2wb1 h ARG 311 Cb 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2wb1 h ARG 311 CO 0.00 -0.10 0.40 0.00 -1.07 0.00 0.00 179.97 179.20 2wb1 h ARG 312 N -0.16 0.15 0.00 0.04 3.08 -1.84 -1.64 114.38 114.01 2wb1 h ARG 312 Ca 0.23 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 2wb1 h ARG 312 Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2wb1 h ARG 312 CO -0.64 0.10 -0.70 0.87 -1.07 0.00 0.00 179.97 178.53 2wb1 h LYS 313 N 0.15 0.00 -0.35 0.04 1.57 -1.19 -2.83 116.57 113.95 2wb1 h LYS 313 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2wb1 h LYS 313 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2wb1 h LYS 313 CO -0.04 0.70 0.00 0.36 -0.57 0.00 0.00 179.45 179.90 2wb1 n LYS 314 N -3.39 2.23 -0.05 3.15 2.85 -0.93 -3.85 118.16 118.18 2wb1 n LYS 314 Ca 0.01 -1.87 -0.15 0.00 -1.05 0.00 0.00 58.31 55.24 2wb1 n LYS 314 Cb 0.77 -1.46 -0.07 0.00 -0.65 0.00 0.00 35.03 33.62 2wb1 n LYS 314 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wb1 h ALA 315 N 4.28 0.27 0.00 0.58 0.00 -1.05 -3.29 119.26 120.06 2wb1 h ALA 315 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2wb1 h ALA 315 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2wb1 h ALA 315 CO 0.00 0.40 -0.22 1.88 0.00 0.00 0.00 179.25 181.31 2wb1 h TYR 316 N 0.24 0.00 -0.08 0.00 -1.99 -1.66 -2.87 116.97 110.60 2wb1 h TYR 316 Ca -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2wb1 h TYR 316 Cb 1.05 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.78 2wb1 h TYR 316 CO 0.10 0.22 -0.05 -0.92 -0.00 0.00 0.00 178.16 177.51 2wb1 h TYR 317 N 0.00 0.21 -0.59 4.88 3.20 -1.72 0.25 116.97 123.20 2wb1 h TYR 317 Ca -0.00 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.87 2wb1 h TYR 317 Cb 0.54 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 2wb1 h TYR 317 CO 0.00 0.57 0.29 1.25 -1.64 0.00 0.00 178.16 178.63 2wb1 h LEU 318 N -0.21 0.39 -1.42 2.82 6.46 -1.60 0.61 115.31 122.35 2wb1 h LEU 318 Ca 0.02 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2wb1 h LEU 318 Cb 0.52 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 2wb1 h LEU 318 CO 0.01 0.26 0.38 0.00 -0.62 0.00 0.00 178.44 178.47 2wb1 h ALA 319 N 1.34 1.58 -0.11 1.25 0.00 -1.38 -0.81 119.26 121.13 2wb1 h ALA 319 Ca 0.27 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2wb1 h ALA 319 Cb 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wb1 h ALA 319 CO -0.21 0.39 -0.31 -0.92 0.00 0.00 0.00 179.25 178.20 2wb1 h TYR 320 N 0.79 0.53 0.00 0.00 5.03 0.11 -2.62 116.97 120.81 2wb1 h TYR 320 Ca 0.21 -0.21 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 2wb1 h TYR 320 Cb -0.08 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.10 2wb1 h TYR 320 CO 0.00 0.93 -0.06 0.00 -1.32 0.00 0.00 178.16 177.71 2wb1 h ALA 321 N 0.51 1.48 -0.06 1.82 0.00 0.46 -1.07 119.26 122.40 2wb1 h ALA 321 Ca -0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2wb1 h ALA 321 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2wb1 h ALA 321 CO 0.07 0.07 -0.26 0.82 0.00 0.00 0.00 179.25 179.95 2wb1 h ILE 322 N 0.00 1.44 0.00 0.00 1.08 -1.15 -3.12 117.51 115.76 2wb1 h ILE 322 Ca -0.00 -1.69 0.00 0.00 -0.39 0.00 0.00 64.86 62.78 2wb1 h ILE 322 Cb 0.14 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 2wb1 h ILE 322 CO 0.01 0.48 0.00 -1.54 -0.69 0.00 0.00 178.15 176.41 2wb1 n SER 323 N -4.48 0.00 -0.04 1.72 3.41 -0.42 -0.38 113.62 113.43 2wb1 n SER 323 Ca -0.08 -0.32 -0.01 0.00 -0.26 0.00 0.00 58.87 58.20 2wb1 n SER 323 Cb 0.47 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 2wb1 n SER 323 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wb1 n LYS 324 N -0.58 1.43 0.01 4.33 4.76 -1.09 -4.08 118.16 122.93 2wb1 n LYS 324 Ca 0.01 -0.05 -0.22 0.00 -2.87 0.00 0.00 58.31 55.18 2wb1 n LYS 324 Cb 0.00 -1.29 -0.14 0.00 -1.84 0.00 0.00 35.03 31.76 2wb1 n LYS 324 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2wb1 h VAL 325 N 0.00 0.77 0.00 -0.18 2.07 -0.72 -3.02 116.25 115.17 2wb1 h VAL 325 Ca -0.19 -2.37 -0.03 0.00 0.82 0.00 0.00 66.70 64.93 2wb1 h VAL 325 Cb 1.26 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 2wb1 h VAL 325 CO 0.01 0.81 -0.17 0.16 0.02 0.00 0.00 177.57 178.40 2wb1 h ILE 326 N -0.08 0.70 0.00 4.57 3.07 -1.59 0.74 117.51 124.93 2wb1 h ILE 326 Ca -0.39 -0.69 -0.05 0.00 1.55 0.00 0.00 64.86 65.28 2wb1 h ILE 326 Cb 1.94 1.43 -0.01 0.00 -0.27 0.00 0.00 36.82 39.91 2wb1 h ILE 326 CO 0.07 0.16 -0.25 -0.08 -1.05 0.00 0.00 178.15 177.01 2wb1 h GLU 327 N 0.00 0.00 0.03 0.16 4.81 -1.71 -2.65 114.58 115.22 2wb1 h GLU 327 Ca -0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 2wb1 h GLU 327 Cb 0.41 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2wb1 h GLU 327 CO 0.02 0.25 -1.89 -0.11 -0.73 0.00 0.00 179.01 176.54 2wb1 n LEU 328 N -3.61 1.23 0.08 1.64 7.94 -0.33 -2.89 117.00 121.06 2wb1 n LEU 328 Ca -0.01 0.29 -0.13 0.00 -1.11 0.00 0.00 56.01 55.06 2wb1 n LEU 328 Cb 0.38 -0.11 -0.06 0.00 0.53 0.00 0.00 43.42 44.15 2wb1 n LEU 328 CO 0.34 0.53 0.61 0.22 -1.11 0.00 0.00 177.39 177.98 2wb1 h TYR 329 N 0.02 -1.05 -3.87 1.96 3.20 -0.85 -3.39 116.97 113.00 2wb1 h TYR 329 Ca -0.36 0.03 -0.52 0.00 3.14 0.00 0.00 58.73 61.02 2wb1 h TYR 329 Cb 2.04 0.46 0.05 0.00 1.54 0.00 0.00 36.73 40.83 2wb1 h TYR 329 CO 0.02 -0.47 0.60 -1.17 -1.64 0.00 0.00 178.16 175.50 2wb1 s LEU 330 N -10.33 4.45 -0.03 2.82 0.20 -1.01 -4.91 118.68 109.88 2wb1 s LEU 330 Ca -0.16 2.59 -0.03 0.00 0.69 0.00 0.00 54.13 57.22 2wb1 s LEU 330 Cb 0.08 -3.65 -0.15 0.00 -0.43 0.00 0.00 46.19 42.05 2wb1 s LEU 330 CO 0.64 -0.45 2.25 0.61 -0.29 0.00 0.00 176.35 179.12 2wb1 n GLY 331 N 0.88 2.15 0.08 7.98 0.00 -1.26 -4.17 105.19 110.86 2wb1 n GLY 331 Ca -0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 2wb1 n GLY 331 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 n ARG 332 N 2.77 1.30 -0.05 1.61 5.12 -1.19 -4.85 116.66 121.38 2wb1 n ARG 332 Ca 0.25 -0.02 -0.07 0.00 -1.93 0.00 0.00 57.85 56.08 2wb1 n ARG 332 Cb 0.50 -1.42 -0.02 0.00 -1.16 0.00 0.00 32.46 30.37 2wb1 n ARG 332 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wb1 n ARG 333 N -2.57 0.36 -0.39 5.56 1.74 -1.14 -4.66 116.66 115.56 2wb1 n ARG 333 Ca -0.25 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2wb1 n ARG 333 Cb 0.99 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 2wb1 n ARG 333 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2wb1 n GLU 334 N -4.13 -0.32 -1.27 5.56 2.13 -1.26 -5.01 120.64 116.34 2wb1 n GLU 334 Ca -0.11 0.50 -0.38 0.00 0.66 0.00 0.00 57.16 57.83 2wb1 n GLU 334 Cb 0.37 -0.25 0.03 0.00 0.27 0.00 0.00 31.44 31.87 2wb1 n GLU 334 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2wb1 n PRO 335 N -0.12 0.17 -2.10 5.31 -0.02 -1.26 -4.88 135.00 132.11 2wb1 n PRO 335 Ca 0.00 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 2wb1 n PRO 335 Cb 0.00 -1.32 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 2wb1 n PRO 335 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wb1 s ASP 336 N -1.14 6.75 -0.67 2.55 1.11 -1.16 -4.98 116.67 119.13 2wb1 s ASP 336 Ca 0.59 2.64 -0.19 0.00 0.18 0.00 0.00 52.55 55.77 2wb1 s ASP 336 Cb -0.42 -2.63 0.12 0.00 1.07 0.00 0.00 42.92 41.05 2wb1 s ASP 336 CO 0.64 -0.59 0.80 -0.62 1.18 0.00 0.00 175.17 176.58 2wb1 s ASP 337 N -0.08 6.30 -0.08 0.27 -1.08 -1.26 -4.92 116.67 115.82 2wb1 s ASP 337 Ca 0.53 -1.61 0.04 0.00 -0.52 0.00 0.00 52.55 51.00 2wb1 s ASP 337 Cb -0.40 -2.32 0.25 0.00 -1.46 0.00 0.00 42.92 38.99 2wb1 s ASP 337 CO 0.47 -1.09 0.95 2.29 0.52 0.00 0.00 175.17 178.32 2wb1 n LYS 338 N 6.27 2.10 -0.00 4.34 2.85 -1.26 -3.00 118.16 129.46 2wb1 n LYS 338 Ca -0.02 -0.98 0.02 0.00 -1.05 0.00 0.00 58.31 56.28 2wb1 n LYS 338 Cb 0.44 -1.69 -0.03 0.00 -0.65 0.00 0.00 35.03 33.10 2wb1 n LYS 338 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2wb1 n ASP 339 N 0.16 3.19 -4.76 -5.58 10.43 -1.26 -4.95 116.55 113.78 2wb1 n ASP 339 Ca 0.10 -0.12 -0.41 0.00 2.57 0.00 0.00 54.79 56.93 2wb1 n ASP 339 Cb 0.60 1.17 -0.01 0.00 1.84 0.00 0.00 41.12 44.71 2wb1 n ASP 339 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 2wb1 s HIS 340 N -2.14 2.77 -2.00 1.24 2.46 -1.16 -4.92 115.29 111.53 2wb1 s HIS 340 Ca -0.01 1.05 0.21 0.00 0.47 0.00 0.00 55.06 56.78 2wb1 s HIS 340 Cb 0.03 -3.96 1.27 0.00 -0.13 0.00 0.00 32.58 29.79 2wb1 s HIS 340 CO 0.19 -2.99 1.71 0.66 -2.47 0.00 0.00 174.74 171.83 2wb1 n TYR 341 N 1.36 0.00 0.15 3.88 4.02 -1.26 -1.56 117.16 123.74 2wb1 n TYR 341 Ca 0.04 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.96 2wb1 n TYR 341 Cb 0.39 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.77 2wb1 n TYR 341 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wb1 h ALA 342 N 3.44 0.71 -0.78 -0.72 0.00 -1.91 -3.26 119.26 116.74 2wb1 h ALA 342 Ca 0.00 -0.43 -0.46 0.00 0.00 0.00 0.00 54.91 54.02 2wb1 h ALA 342 Cb 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 17.46 2wb1 h ALA 342 CO 0.00 0.59 0.32 0.09 0.00 0.00 0.00 179.25 180.25 2wb1 n ASN 343 N -3.24 4.50 -3.97 0.00 3.02 -0.60 -4.94 115.26 110.03 2wb1 n ASN 343 Ca 0.02 -3.73 -0.19 0.00 -0.03 0.00 0.00 54.58 50.65 2wb1 n ASN 343 Cb 0.71 -0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 38.97 2wb1 n ASN 343 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wb1 s LYS 344 N -3.46 0.81 -0.13 3.52 2.47 -1.23 -1.86 119.74 119.86 2wb1 s LYS 344 Ca 0.55 -0.24 -0.00 0.00 -1.56 0.00 0.00 55.97 54.72 2wb1 s LYS 344 Cb 0.46 -0.77 0.02 0.00 -1.46 0.00 0.00 37.83 36.08 2wb1 s LYS 344 CO 0.04 0.07 -0.11 0.50 0.16 0.00 0.00 175.35 176.01 2wb1 s ARG 345 N 0.27 1.92 -0.23 4.03 6.06 0.16 -4.51 118.95 126.65 2wb1 s ARG 345 Ca -0.04 -0.41 -0.22 0.00 -2.50 0.00 0.00 55.73 52.57 2wb1 s ARG 345 Cb -0.08 -1.84 -0.02 0.00 0.06 0.00 0.00 34.95 33.06 2wb1 s ARG 345 CO 0.00 -0.25 0.68 -0.51 -2.50 0.00 0.00 175.30 172.73 2wb1 s LEU 346 N 1.58 4.09 -0.69 -0.88 1.02 0.58 -1.08 118.68 123.31 2wb1 s LEU 346 Ca 0.05 0.84 -0.16 0.00 0.02 0.00 0.00 54.13 54.88 2wb1 s LEU 346 Cb -0.13 -2.96 0.16 0.00 0.02 0.00 0.00 46.19 43.29 2wb1 s LEU 346 CO -0.09 -0.38 0.69 -0.13 0.02 0.00 0.00 176.35 176.45 2wb1 s ARG 347 N 2.40 3.29 1.01 1.70 1.81 -0.02 -4.54 118.95 124.60 2wb1 s ARG 347 Ca 0.29 -1.95 -0.12 0.00 -1.72 0.00 0.00 55.73 52.23 2wb1 s ARG 347 Cb -0.16 -4.39 0.20 0.00 -0.45 0.00 0.00 34.95 30.15 2wb1 s ARG 347 CO 0.09 -1.38 1.08 -0.51 -0.68 0.00 0.00 175.30 173.90 2wb1 s LEU 348 N 1.29 1.55 0.19 2.53 1.43 -1.26 -2.78 118.68 121.63 2wb1 s LEU 348 Ca 0.12 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.33 2wb1 s LEU 348 Cb -0.19 -3.44 0.15 0.00 0.03 0.00 0.00 46.19 42.74 2wb1 s LEU 348 CO -0.02 -3.26 1.63 0.00 0.23 0.00 0.00 176.35 174.93 2wb1 h ALA 349 N -1.98 0.21 -2.23 4.21 0.00 -1.87 -3.21 119.26 114.38 2wb1 h ALA 349 Ca -0.55 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2wb1 h ALA 349 Cb 1.32 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2wb1 h ALA 349 CO 0.56 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2wb1 n GLY 350 N -1.40 -3.31 2.12 0.00 0.00 -1.26 0.21 105.19 101.54 2wb1 n GLY 350 Ca 0.05 0.50 -0.06 0.00 0.00 0.00 0.00 46.02 46.50 2wb1 n GLY 350 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wb1 n ASP 351 N -1.31 3.06 0.00 1.61 3.85 -1.22 0.80 116.55 123.34 2wb1 n ASP 351 Ca 0.00 -2.02 0.00 0.00 -0.71 0.00 0.00 54.79 52.06 2wb1 n ASP 351 Cb 0.00 -0.79 0.00 0.00 -1.35 0.00 0.00 41.12 38.98 2wb1 n ASP 351 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2wb1 n LEU 352 N 2.52 0.00 0.09 -2.12 7.94 -0.88 -4.67 117.00 119.88 2wb1 n LEU 352 Ca 0.20 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.22 2wb1 n LEU 352 Cb 0.49 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.59 2wb1 n LEU 352 CO 0.14 0.00 0.37 0.15 -1.11 0.00 0.00 177.39 176.94 2wb1 h PHE 353 N 0.00 0.00 0.00 1.96 3.57 0.48 -3.28 116.94 119.67 2wb1 h PHE 353 Ca 0.00 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 2wb1 h PHE 353 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2wb1 h PHE 353 CO 0.00 0.00 -1.10 0.00 -2.23 0.00 0.00 178.31 174.98 2wb1 h ALA 354 N 2.33 0.48 -0.09 2.41 0.00 -1.14 -2.75 119.26 120.50 2wb1 h ALA 354 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 2wb1 h ALA 354 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wb1 h ALA 354 CO 0.00 1.23 -0.24 0.77 0.00 0.00 0.00 179.25 181.01 2wb1 h SER 355 N 0.00 0.36 -0.07 0.00 0.02 -1.84 -2.70 113.55 109.33 2wb1 h SER 355 Ca -0.07 -0.60 0.03 0.00 -0.84 0.00 0.00 61.79 60.31 2wb1 h SER 355 Cb 1.77 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 64.17 2wb1 h SER 355 CO 0.11 0.90 -0.11 0.25 -1.14 0.00 0.00 176.83 176.83 2wb1 h LEU 356 N -0.15 -0.34 -0.44 5.07 5.85 -1.64 -2.19 115.31 121.47 2wb1 h LEU 356 Ca -0.01 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2wb1 h LEU 356 Cb 0.86 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2wb1 h LEU 356 CO 0.05 -0.15 0.26 0.15 -0.34 0.00 0.00 178.44 178.41 2wb1 h PHE 357 N -0.15 0.59 -0.43 1.25 3.04 -1.60 -1.80 116.94 117.84 2wb1 h PHE 357 Ca 0.07 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.09 2wb1 h PHE 357 Cb 0.25 -0.19 -0.09 0.00 2.56 0.00 0.00 35.95 38.47 2wb1 h PHE 357 CO -0.21 0.42 -0.39 -0.09 -2.02 0.00 0.00 178.31 176.02 2wb1 h ARG 358 N 0.59 -0.28 -0.39 1.11 2.43 -1.06 0.32 114.38 117.10 2wb1 h ARG 358 Ca 0.16 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 2wb1 h ARG 358 Cb 0.00 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2wb1 h ARG 358 CO -0.03 -0.18 -0.23 -0.24 -1.51 0.00 0.00 179.97 177.78 2wb1 h VAL 359 N -0.29 1.28 -0.49 0.20 3.04 -1.38 -2.63 116.25 115.98 2wb1 h VAL 359 Ca 0.16 -1.37 0.12 0.00 -1.01 0.00 0.00 66.70 64.60 2wb1 h VAL 359 Cb 0.57 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 2wb1 h VAL 359 CO -0.58 0.46 0.35 0.00 -1.01 0.00 0.00 177.57 176.78 2wb1 h ALA 360 N 0.80 2.32 0.00 3.17 0.00 -0.41 0.54 119.26 125.68 2wb1 h ALA 360 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wb1 h ALA 360 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wb1 h ALA 360 CO 0.06 -0.46 -0.94 0.34 0.00 0.00 0.00 179.25 178.26 2wb1 n PHE 361 N -4.42 0.56 -0.03 0.00 -0.00 0.02 -3.66 117.46 109.93 2wb1 n PHE 361 Ca 0.08 0.16 -0.16 0.00 -0.00 0.00 0.00 57.45 57.54 2wb1 n PHE 361 Cb 0.49 -0.67 -0.08 0.00 -0.00 0.00 0.00 39.48 39.22 2wb1 n PHE 361 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2wb1 h LYS 362 N 0.00 0.55 0.00 -4.13 1.63 -0.51 -2.48 116.57 111.63 2wb1 h LYS 362 Ca 0.00 -0.43 -0.02 0.00 -0.85 0.00 0.00 60.65 59.35 2wb1 h LYS 362 Cb 0.83 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2wb1 h LYS 362 CO 0.00 1.06 -0.08 0.00 -3.45 0.00 0.00 179.45 176.98 2wb1 h ALA 363 N 0.50 0.99 -0.10 5.00 0.00 -1.67 -0.88 119.26 123.10 2wb1 h ALA 363 Ca -0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 2wb1 h ALA 363 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wb1 h ALA 363 CO 0.11 0.10 -0.79 0.35 0.00 0.00 0.00 179.25 179.01 2wb1 h PHE 364 N 0.00 0.84 -0.25 0.00 3.57 -1.61 -1.61 116.94 117.87 2wb1 h PHE 364 Ca -0.00 -0.38 -0.07 0.00 3.53 0.00 0.00 57.97 61.04 2wb1 h PHE 364 Cb 0.69 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2wb1 h PHE 364 CO 0.00 1.19 -0.13 0.28 -2.23 0.00 0.00 178.31 177.42 2wb1 h VAL 365 N 0.41 1.30 -0.88 1.41 2.07 -1.26 -2.21 116.25 117.09 2wb1 h VAL 365 Ca -0.05 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.30 2wb1 h VAL 365 Cb 1.41 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 2wb1 h VAL 365 CO 0.15 0.38 0.56 0.50 0.02 0.00 0.00 177.57 179.18 2wb1 h LYS 366 N 0.26 1.02 0.00 1.57 3.64 -1.16 -1.14 116.57 120.76 2wb1 h LYS 366 Ca 0.06 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2wb1 h LYS 366 Cb 0.64 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2wb1 h LYS 366 CO 0.04 0.67 -0.24 0.22 -2.27 0.00 0.00 179.45 177.87 2wb1 h ASP 367 N 1.05 0.00 0.09 4.20 3.58 -1.28 -2.56 116.42 121.49 2wb1 h ASP 367 Ca 0.37 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.56 2wb1 h ASP 367 Cb 0.10 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.17 2wb1 h ASP 367 CO -0.15 0.24 -1.08 0.25 -2.88 0.00 0.00 179.24 175.62 2wb1 h LEU 368 N 0.00 0.79 0.19 2.28 5.85 -0.83 -0.07 115.31 123.53 2wb1 h LEU 368 Ca -0.00 -0.82 -0.01 0.00 0.84 0.00 0.00 57.88 57.89 2wb1 h LEU 368 Cb 1.15 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2wb1 h LEU 368 CO 0.03 1.53 -0.10 0.74 -0.34 0.00 0.00 178.44 180.30 2wb1 h THR 369 N 0.16 0.80 -0.27 1.05 2.02 -1.21 1.01 112.91 116.47 2wb1 h THR 369 Ca -0.16 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2wb1 h THR 369 Cb 1.77 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2wb1 h THR 369 CO 0.21 0.00 0.03 0.22 0.37 0.00 0.00 175.52 176.35 2wb1 h TYR 370 N -0.27 0.39 0.00 3.16 3.20 -1.57 0.07 116.97 121.96 2wb1 h TYR 370 Ca -0.02 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 2wb1 h TYR 370 Cb 0.21 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2wb1 h TYR 370 CO -0.07 0.38 -0.48 0.37 -1.64 0.00 0.00 178.16 176.72 2wb1 h GLN 371 N 0.38 0.00 0.18 1.82 5.75 -0.21 -3.06 115.11 119.97 2wb1 h GLN 371 Ca 0.09 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.29 2wb1 h GLN 371 Cb 0.20 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.77 2wb1 h GLN 371 CO 0.00 0.48 -1.43 -0.07 -2.65 0.00 0.00 178.83 175.15 2wb1 h LEU 372 N 0.00 0.60 0.40 -2.39 3.38 0.14 -3.39 115.31 114.05 2wb1 h LEU 372 Ca -0.00 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 57.03 2wb1 h LEU 372 Cb 1.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2wb1 h LEU 372 CO 0.06 1.66 -0.19 -0.08 0.09 0.00 0.00 178.44 179.98 2wb1 h GLU 373 N -0.07 -0.51 -3.51 1.13 4.81 -1.02 -0.03 114.58 115.37 2wb1 h GLU 373 Ca -0.28 0.03 -0.72 0.00 -0.13 0.00 0.00 59.36 58.26 2wb1 h GLU 373 Cb 1.96 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 31.37 2wb1 h GLU 373 CO 0.17 -0.34 2.79 1.17 -0.73 0.00 0.00 179.01 182.07 2wb1 n LYS 374 N -3.90 3.45 0.14 1.92 3.00 -1.16 -3.79 118.16 117.82 2wb1 n LYS 374 Ca -0.07 -2.96 0.00 0.00 -0.00 0.00 0.00 58.31 55.29 2wb1 n LYS 374 Cb 0.21 -3.01 0.00 0.00 0.00 0.00 0.00 35.03 32.23 2wb1 n LYS 374 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2wb1 n SER 375 N 4.44 -2.58 -0.06 3.14 2.88 -1.19 -4.88 113.62 115.37 2wb1 n SER 375 Ca 0.53 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 2wb1 n SER 375 Cb 0.34 2.59 0.00 0.00 -0.75 0.00 0.00 64.21 66.39 2wb1 n SER 375 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2wb1 n LYS 376 N -3.28 0.64 0.00 -1.46 4.76 -0.03 -3.62 118.16 115.16 2wb1 n LYS 376 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wb1 n LYS 376 Cb 0.00 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 2wb1 n LYS 376 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2wb1 n VAL 377 N -0.41 0.00 -3.98 -0.18 0.24 -1.25 -4.31 118.33 108.43 2wb1 n VAL 377 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2wb1 n VAL 377 Cb 0.02 -0.33 -0.17 0.00 -1.47 0.00 0.00 33.84 31.89 2wb1 n VAL 377 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2wb1 s ARG 378 N -1.82 0.89 -1.21 7.34 0.52 -1.24 -5.09 118.95 118.35 2wb1 s ARG 378 Ca 0.00 -0.06 -0.18 0.00 -0.52 0.00 0.00 55.73 54.97 2wb1 s ARG 378 Cb 0.00 -1.04 -0.02 0.00 0.52 0.00 0.00 34.95 34.41 2wb1 s ARG 378 CO 0.00 -0.20 1.98 0.41 0.02 0.00 0.00 175.30 177.51 2wb1 n GLY 379 N 4.63 2.90 0.35 -3.53 0.00 -1.26 -4.34 105.19 103.94 2wb1 n GLY 379 Ca -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2wb1 n GLY 379 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wb1 n ARG 380 N 7.31 0.00 -0.21 1.61 0.63 -1.26 -5.18 116.66 119.56 2wb1 n ARG 380 Ca 0.49 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 2wb1 n ARG 380 Cb 0.43 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.34 2wb1 n ARG 380 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wb1 n LYS 381 N -1.26 0.44 -0.13 -0.14 5.02 -1.26 -5.04 118.16 115.79 2wb1 n LYS 381 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wb1 n LYS 381 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wb1 n LYS 381 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2wb1 n LEU 382 N 0.00 0.00 -4.56 -0.35 -0.00 -1.26 -5.09 117.00 105.74 2wb1 n LEU 382 Ca 0.00 -0.30 -0.18 0.00 -0.00 0.00 0.00 56.01 55.53 2wb1 n LEU 382 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 2wb1 n LEU 382 CO 0.00 0.58 1.25 0.00 -0.00 0.00 0.00 177.39 179.23 2wb1 s ALA 383 N 0.00 0.99 0.35 1.47 0.00 -1.26 -4.79 121.76 118.52 2wb1 s ALA 383 Ca 0.00 -1.06 0.31 0.00 0.00 0.00 0.00 51.96 51.21 2wb1 s ALA 383 Cb 0.00 -4.58 1.52 0.00 0.00 0.00 0.00 23.12 20.06 2wb1 s ALA 383 CO 0.00 -5.61 2.07 -0.07 0.00 0.00 0.00 175.76 172.15 2wb1 h LEU 384 N 21.07 0.00 -0.32 0.00 3.38 -2.00 -1.86 115.31 135.58 2wb1 h LEU 384 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2wb1 h LEU 384 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2wb1 h LEU 384 CO 1.07 0.09 0.03 0.50 0.09 0.00 0.00 178.44 180.22 2wb1 h LYS 385 N 0.00 0.55 0.00 1.13 3.64 -1.93 -2.52 116.57 117.44 2wb1 h LYS 385 Ca -0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2wb1 h LYS 385 Cb 0.37 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2wb1 h LYS 385 CO 0.01 0.66 0.00 0.00 -2.27 0.00 0.00 179.45 177.85 2wb1 n ALA 386 N -2.35 2.23 0.00 5.00 0.00 -0.70 -3.16 120.51 121.53 2wb1 n ALA 386 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2wb1 n ALA 386 Cb 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2wb1 n ALA 386 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wb1 n LEU 387 N -1.08 0.00 -4.68 0.00 4.77 -1.20 -5.00 117.00 109.81 2wb1 n LEU 387 Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 2wb1 n LEU 387 Cb 0.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2wb1 n LEU 387 CO 0.13 0.00 1.32 -0.69 -1.33 0.00 0.00 177.39 176.82 2wb1 s VAL 388 N -1.96 3.35 -0.59 4.08 1.01 -0.95 -4.90 120.40 120.44 2wb1 s VAL 388 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 2wb1 s VAL 388 Cb 0.00 -3.42 0.13 0.00 0.00 0.00 0.00 36.38 33.09 2wb1 s VAL 388 CO 0.00 -0.02 0.60 -0.13 0.00 0.00 0.00 175.10 175.54 2wb1 s ARG 389 N 3.17 3.07 -0.17 2.72 0.52 -1.26 -4.96 118.95 122.04 2wb1 s ARG 389 Ca 0.72 -1.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.35 2wb1 s ARG 389 Cb -0.36 -4.31 0.44 0.00 0.52 0.00 0.00 34.95 31.24 2wb1 s ARG 389 CO 0.31 -1.40 1.29 -0.35 0.02 0.00 0.00 175.30 175.16 2wb1 n PRO 390 N 5.52 2.79 -0.03 3.54 -0.04 -1.26 -3.84 135.00 141.68 2wb1 n PRO 390 Ca -0.10 -1.75 -0.01 0.00 -0.04 0.00 0.00 63.50 61.61 2wb1 n PRO 390 Cb 0.41 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 2wb1 n PRO 390 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wb1 n ASP 391 N 0.14 3.05 -0.35 3.54 8.00 -1.26 -4.04 116.55 125.63 2wb1 n ASP 391 Ca 0.21 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.86 2wb1 n ASP 391 Cb 0.89 0.97 0.36 0.00 -0.02 0.00 0.00 41.12 43.32 2wb1 n ASP 391 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2wb1 h ILE 392 N 0.00 0.63 -0.05 0.53 1.08 -1.90 0.21 117.51 118.01 2wb1 h ILE 392 Ca -0.13 -0.23 -0.18 0.00 -0.39 0.00 0.00 64.86 63.93 2wb1 h ILE 392 Cb 1.05 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 2wb1 h ILE 392 CO 0.01 0.12 -0.74 0.58 -0.69 0.00 0.00 178.15 177.43 2wb1 h VAL 393 N 0.67 1.41 0.00 1.67 2.07 -1.78 -3.26 116.25 117.04 2wb1 h VAL 393 Ca 0.60 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 2wb1 h VAL 393 Cb 1.06 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2wb1 h VAL 393 CO -0.41 0.66 -0.17 0.74 0.02 0.00 0.00 177.57 178.41 2wb1 h THR 394 N 0.20 0.10 -0.60 2.57 2.02 -0.87 -3.24 112.91 113.09 2wb1 h THR 394 Ca -0.03 -1.09 -0.08 0.00 0.77 0.00 0.00 66.41 65.98 2wb1 h THR 394 Cb 1.31 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2wb1 h THR 394 CO 0.12 0.03 0.05 -0.33 0.37 0.00 0.00 175.52 175.76 2wb1 h GLU 395 N -1.00 1.01 0.00 6.66 4.39 -1.08 -2.33 114.58 122.23 2wb1 h GLU 395 Ca -0.01 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 2wb1 h GLU 395 Cb 0.22 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2wb1 h GLU 395 CO -0.00 0.96 -0.25 -0.09 -1.16 0.00 0.00 179.01 178.46 2wb1 h ARG 396 N 0.93 0.00 0.01 2.33 2.43 -1.72 0.23 114.38 118.60 2wb1 h ARG 396 Ca 0.18 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.15 2wb1 h ARG 396 Cb 0.47 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2wb1 h ARG 396 CO 0.02 0.25 -0.91 0.97 -1.51 0.00 0.00 179.97 178.79 2wb1 h ILE 397 N 0.00 1.56 0.05 1.20 2.10 -1.49 -3.13 117.51 117.81 2wb1 h ILE 397 Ca -0.00 -2.84 -0.35 0.00 1.08 0.00 0.00 64.86 62.75 2wb1 h ILE 397 Cb 0.65 2.58 -0.04 0.00 -1.09 0.00 0.00 36.82 38.92 2wb1 h ILE 397 CO 0.03 0.82 -2.03 -2.11 -1.08 0.00 0.00 178.15 173.78 2wb1 n ARG 398 N -3.57 0.70 -0.01 2.19 1.85 -0.91 -3.77 116.66 113.13 2wb1 n ARG 398 Ca -0.03 0.22 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 2wb1 n ARG 398 Cb 0.84 -1.68 0.67 0.00 -1.05 0.00 0.00 32.46 31.24 2wb1 n ARG 398 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2wb1 n HIS 399 N -3.23 0.03 -2.51 2.89 8.25 0.04 -0.67 115.22 120.01 2wb1 n HIS 399 Ca -0.30 -0.02 -0.20 0.00 -0.26 0.00 0.00 57.72 56.95 2wb1 n HIS 399 Cb 1.05 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.18 2wb1 n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wb1 n ALA 400 N -0.53 4.42 0.00 -1.41 0.00 -1.18 -3.89 120.51 117.93 2wb1 n ALA 400 Ca 0.19 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.80 2wb1 n ALA 400 Cb 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2wb1 n ALA 400 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wb1 n LEU 401 N -0.37 0.00 0.02 0.00 7.94 -0.86 -3.70 117.00 120.03 2wb1 n LEU 401 Ca 0.28 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.09 2wb1 n LEU 401 Cb 0.74 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.56 2wb1 n LEU 401 CO 0.30 0.00 -0.26 0.00 -1.11 0.00 0.00 177.39 176.32 2wb1 h ALA 402 N 0.00 0.57 0.00 1.96 0.00 -1.15 -3.37 119.26 117.26 2wb1 h ALA 402 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2wb1 h ALA 402 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wb1 h ALA 402 CO 0.00 1.42 0.00 -2.37 0.00 0.00 0.00 179.25 178.30 2wb1 n THR 403 N -3.20 0.01 -2.62 0.00 5.66 -1.25 -4.87 114.28 108.00 2wb1 n THR 403 Ca -0.11 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.83 2wb1 n THR 403 Cb 1.01 -0.52 0.03 0.00 -1.55 0.00 0.00 70.33 69.31 2wb1 n THR 403 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wb1 n GLY 404 N 1.00 0.21 1.43 1.09 0.00 -1.21 -4.60 105.19 103.11 2wb1 n GLY 404 Ca 0.21 -0.28 0.19 0.00 0.00 0.00 0.00 46.02 46.14 2wb1 n GLY 404 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wb1 n ASN 405 N -1.40 -8.50 0.00 1.61 2.85 -1.24 -0.88 115.26 107.69 2wb1 n ASN 405 Ca -0.08 0.71 0.00 0.00 -0.11 0.00 0.00 54.58 55.10 2wb1 n ASN 405 Cb 0.55 -4.44 0.00 0.00 1.24 0.00 0.00 39.78 37.14 2wb1 n ASN 405 CO 0.00 0.00 0.00 1.87 -2.11 0.00 0.00 177.26 177.02 2wb1 n TRP 406 N -4.21 0.00 0.00 1.20 -0.00 -1.26 -4.67 117.44 108.50 2wb1 n TRP 406 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 2wb1 n TRP 406 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.98 2wb1 n TRP 406 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2wb1 n VAL 407 N 0.00 0.00 0.00 5.87 0.31 -1.26 -3.99 118.33 119.26 2wb1 n VAL 407 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wb1 n VAL 407 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wb1 n VAL 407 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wb1 n GLY 408 N 0.00 -0.19 0.92 2.92 0.00 -1.26 -4.75 105.19 102.83 2wb1 n GLY 408 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wb1 n GLY 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 409 N -1.17 3.01 3.75 -0.02 0.00 -1.26 -5.05 105.19 104.45 2wb1 n GLY 409 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2wb1 n GLY 409 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 n ARG 410 N -0.49 -1.20 -4.10 1.61 3.00 -1.26 -5.02 116.66 109.20 2wb1 n ARG 410 Ca 0.00 -2.03 -0.11 0.00 -0.01 0.00 0.00 57.85 55.69 2wb1 n ARG 410 Cb 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 32.46 31.10 2wb1 n ARG 410 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2wb1 s THR 411 N -3.78 0.00 -1.17 0.55 -1.32 -1.26 -4.07 115.64 104.60 2wb1 s THR 411 Ca 0.73 -1.68 -0.00 0.00 -1.21 0.00 0.00 61.69 59.52 2wb1 s THR 411 Cb -0.02 -2.39 -0.00 0.00 -1.51 0.00 0.00 72.50 68.58 2wb1 s THR 411 CO 0.51 0.00 0.97 0.61 -2.21 0.00 0.00 174.62 174.50 2wb1 n GLY 412 N -0.38 -0.36 0.11 6.08 0.00 -0.06 -4.96 105.19 105.62 2wb1 n GLY 412 Ca 0.01 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2wb1 n GLY 412 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wb1 n VAL 413 N -4.04 1.52 -3.69 1.61 0.31 -0.96 -4.88 118.33 108.21 2wb1 n VAL 413 Ca -0.28 -0.11 -0.38 0.00 -0.01 0.00 0.00 64.34 63.56 2wb1 n VAL 413 Cb 0.66 -2.05 -0.12 0.00 -0.91 0.00 0.00 33.84 31.43 2wb1 n VAL 413 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2wb1 s SER 414 N -6.88 5.42 0.45 4.52 1.04 -1.26 -1.01 113.70 115.98 2wb1 s SER 414 Ca -0.31 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 55.69 2wb1 s SER 414 Cb 0.09 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 64.18 2wb1 s SER 414 CO 0.50 -0.16 0.02 0.00 0.98 0.00 0.00 173.24 174.58 2wb1 s GLN 415 N 1.60 2.06 -0.04 4.02 -2.07 -0.80 -3.28 119.66 121.15 2wb1 s GLN 415 Ca 0.05 -2.19 -0.30 0.00 -1.82 0.00 0.00 55.36 51.10 2wb1 s GLN 415 Cb -0.17 -1.63 -0.05 0.00 -1.09 0.00 0.00 33.01 30.07 2wb1 s GLN 415 CO 0.05 -0.17 1.48 -1.17 -1.32 0.00 0.00 175.29 174.16 2wb1 s LEU 416 N -3.79 4.30 0.47 2.60 2.96 -1.26 -1.69 118.68 122.27 2wb1 s LEU 416 Ca 0.26 2.11 -0.23 0.00 -0.22 0.00 0.00 54.13 56.05 2wb1 s LEU 416 Cb 0.07 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.12 2wb1 s LEU 416 CO 0.13 -0.80 1.00 -0.11 -1.32 0.00 0.00 176.35 175.25 2wb1 n LEU 417 N 6.15 2.90 -4.23 -0.68 7.94 -1.26 -4.89 117.00 122.94 2wb1 n LEU 417 Ca 0.15 0.97 -0.41 0.00 -1.11 0.00 0.00 56.01 55.60 2wb1 n LEU 417 Cb 0.43 -1.37 -0.04 0.00 0.53 0.00 0.00 43.42 42.98 2wb1 n LEU 417 CO 0.60 -1.58 0.45 -0.62 -1.11 0.00 0.00 177.39 175.13 2wb1 s ASP 418 N -0.87 6.46 -0.15 1.96 2.15 -1.26 -4.93 116.67 120.03 2wb1 s ASP 418 Ca 0.66 -3.33 0.05 0.00 0.43 0.00 0.00 52.55 50.36 2wb1 s ASP 418 Cb -0.51 -2.06 0.38 0.00 -0.30 0.00 0.00 42.92 40.43 2wb1 s ASP 418 CO 0.54 -0.33 1.23 0.54 -0.17 0.00 0.00 175.17 176.99 2wb1 n ARG 419 N 2.97 2.45 -2.23 4.34 3.00 -1.26 -2.69 116.66 123.24 2wb1 n ARG 419 Ca 0.18 -1.52 -0.34 0.00 -0.01 0.00 0.00 57.85 56.17 2wb1 n ARG 419 Cb 0.40 -1.77 -0.04 0.00 0.00 0.00 0.00 32.46 31.05 2wb1 n ARG 419 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2wb1 n THR 420 N 0.09 2.67 -0.58 0.55 -1.04 -1.26 -4.70 114.28 110.00 2wb1 n THR 420 Ca 0.19 -2.76 0.07 0.00 -2.04 0.00 0.00 64.05 59.51 2wb1 n THR 420 Cb 0.85 -2.24 -0.04 0.00 -1.82 0.00 0.00 70.33 67.08 2wb1 n THR 420 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2wb1 n ASN 421 N 12.00 -3.23 0.17 8.00 0.23 -1.26 -4.49 115.26 126.70 2wb1 n ASN 421 Ca 0.47 0.55 0.05 0.00 -0.53 0.00 0.00 54.58 55.11 2wb1 n ASN 421 Cb 0.46 -1.97 0.22 0.00 -2.08 0.00 0.00 39.78 36.41 2wb1 n ASN 421 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2wb1 h TRP 422 N -0.57 0.00 -0.29 -2.53 7.01 -1.73 -3.08 115.95 114.76 2wb1 h TRP 422 Ca -0.07 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.79 2wb1 h TRP 422 Cb 0.55 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 2wb1 h TRP 422 CO 0.02 0.40 -0.39 1.25 -2.79 0.00 0.00 178.44 176.93 2wb1 h LEU 423 N 0.00 0.74 -1.67 0.65 5.85 -1.87 -3.26 115.31 115.74 2wb1 h LEU 423 Ca -0.00 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.43 2wb1 h LEU 423 Cb 1.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2wb1 h LEU 423 CO 0.05 1.05 0.29 -1.28 -0.34 0.00 0.00 178.44 178.21 2wb1 h SER 424 N 0.57 0.36 0.47 1.25 0.87 -1.75 -1.56 113.55 113.76 2wb1 h SER 424 Ca 0.05 -0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.31 2wb1 h SER 424 Cb 0.93 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.82 2wb1 h SER 424 CO 0.08 0.25 -1.32 -0.03 -0.53 0.00 0.00 176.83 175.28 2wb1 h MET 425 N 0.42 0.39 -0.68 2.24 1.85 -1.59 -2.87 114.93 114.70 2wb1 h MET 425 Ca 0.18 -0.65 -0.06 0.00 -0.61 0.00 0.00 59.70 58.57 2wb1 h MET 425 Cb 0.20 0.24 -0.03 0.00 0.43 0.00 0.00 31.60 32.44 2wb1 h MET 425 CO -0.04 1.31 0.21 1.25 -0.40 0.00 0.00 176.91 179.23 2wb1 h LEU 426 N 0.12 1.00 -0.41 3.39 6.46 -1.36 -2.82 115.31 121.68 2wb1 h LEU 426 Ca -0.18 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.35 2wb1 h LEU 426 Cb 2.03 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.68 2wb1 h LEU 426 CO 0.23 0.95 0.17 -1.28 -0.62 0.00 0.00 178.44 177.89 2wb1 h SER 427 N 1.00 0.56 -0.62 1.25 0.87 -1.43 -3.23 113.55 111.95 2wb1 h SER 427 Ca 0.22 -0.16 0.12 0.00 -1.23 0.00 0.00 61.79 60.75 2wb1 h SER 427 Cb 0.31 -0.15 -0.12 0.00 -0.44 0.00 0.00 62.40 62.01 2wb1 h SER 427 CO -0.01 0.57 -0.15 -0.74 -0.53 0.00 0.00 176.83 175.97 2wb1 h HIS 428 N 0.52 -0.33 0.00 2.24 6.17 -1.26 0.45 115.15 122.95 2wb1 h HIS 428 Ca 0.14 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.27 2wb1 h HIS 428 Cb 0.17 0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.35 2wb1 h HIS 428 CO -0.00 -0.27 0.00 1.28 0.71 0.00 0.00 177.93 179.65 2wb1 n LEU 429 N -5.42 0.00 0.00 0.26 4.77 -1.17 -1.28 117.00 114.15 2wb1 n LEU 429 Ca 0.07 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2wb1 n LEU 429 Cb 0.32 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2wb1 n LEU 429 CO 0.05 -0.06 0.23 0.54 -1.33 0.00 0.00 177.39 176.82 2wb1 n ARG 430 N -1.14 -0.81 -2.35 3.23 1.74 0.10 -4.77 116.66 112.66 2wb1 n ARG 430 Ca 0.11 -0.45 -0.32 0.00 -0.77 0.00 0.00 57.85 56.41 2wb1 n ARG 430 Cb 0.10 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 2wb1 n ARG 430 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wb1 s ARG 431 N -0.01 3.80 0.13 5.56 0.52 0.12 -0.03 118.95 129.03 2wb1 s ARG 431 Ca 0.00 1.06 0.02 0.00 -0.52 0.00 0.00 55.73 56.29 2wb1 s ARG 431 Cb 0.00 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 2wb1 s ARG 431 CO 0.00 -0.40 -0.05 0.14 0.02 0.00 0.00 175.30 175.01 2wb1 s VAL 432 N -2.50 0.73 0.01 3.52 -7.23 0.74 -3.82 120.40 111.86 2wb1 s VAL 432 Ca 0.61 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2wb1 s VAL 432 Cb -0.12 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 2wb1 s VAL 432 CO 0.30 -0.74 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.70 2wb1 s ILE 433 N -3.61 0.12 0.41 -0.62 1.01 0.83 -1.85 121.20 117.48 2wb1 s ILE 433 Ca 0.16 -0.60 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 2wb1 s ILE 433 Cb 0.05 -0.21 -0.10 0.00 0.01 0.00 0.00 42.46 42.22 2wb1 s ILE 433 CO -0.02 -0.31 0.98 -0.94 0.00 0.00 0.00 174.94 174.66 2wb1 s SER 434 N -0.95 6.90 0.21 3.58 1.04 -0.87 0.29 113.70 123.90 2wb1 s SER 434 Ca -0.10 1.82 0.01 0.00 0.48 0.00 0.00 55.95 58.16 2wb1 s SER 434 Cb -0.06 -2.56 0.16 0.00 0.10 0.00 0.00 66.02 63.66 2wb1 s SER 434 CO -0.01 -0.38 1.51 -1.28 0.98 0.00 0.00 173.24 174.06 2wb1 h SER 435 N 2.23 0.43 -3.65 7.02 0.87 -0.38 -3.44 113.55 116.64 2wb1 h SER 435 Ca -0.48 -0.25 -0.27 0.00 -1.23 0.00 0.00 61.79 59.56 2wb1 h SER 435 Cb 1.19 -0.13 -0.31 0.00 -0.44 0.00 0.00 62.40 62.72 2wb1 h SER 435 CO 0.62 0.94 -0.73 -0.22 -0.53 0.00 0.00 176.83 176.91 2wb1 s LEU 436 N -8.06 1.61 0.00 2.23 1.98 -1.26 -4.97 118.68 110.20 2wb1 s LEU 436 Ca -0.05 0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.19 2wb1 s LEU 436 Cb 0.11 -0.06 0.00 0.00 0.66 0.00 0.00 46.19 46.90 2wb1 s LEU 436 CO 0.82 -0.05 0.00 0.00 -1.89 0.00 0.00 176.35 175.23 2wb1 n ALA 437 N 3.55 0.00 -2.03 5.97 0.00 -1.26 -5.11 120.51 121.62 2wb1 n ALA 437 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 2wb1 n ALA 437 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 2wb1 n ALA 437 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wb1 n ARG 438 N 0.00 -2.00 0.00 0.00 0.63 -1.26 -4.38 116.66 109.65 2wb1 n ARG 438 Ca 0.00 1.80 0.00 0.00 -0.92 0.00 0.00 57.85 58.73 2wb1 n ARG 438 Cb 0.00 -2.97 0.00 0.00 0.45 0.00 0.00 32.46 29.94 2wb1 n ARG 438 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wb1 n GLY 439 N 0.64 0.68 2.69 5.14 0.00 -1.26 -4.94 105.19 108.14 2wb1 n GLY 439 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 2wb1 n GLY 439 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wb1 n GLN 440 N 0.00 0.00 -0.43 1.61 1.13 -1.26 -4.72 117.38 113.71 2wb1 n GLN 440 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 2wb1 n GLN 440 Cb 0.00 -0.84 -0.04 0.00 0.11 0.00 0.00 30.24 29.48 2wb1 n GLN 440 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2wb1 n PRO 441 N 0.84 0.68 -3.05 -1.09 -0.04 -1.26 -4.82 135.00 126.26 2wb1 n PRO 441 Ca 0.14 -1.01 -0.45 0.00 -0.04 0.00 0.00 63.50 62.15 2wb1 n PRO 441 Cb 0.18 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 2wb1 n PRO 441 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wb1 s ASN 442 N 5.07 6.58 0.00 3.54 0.02 -1.26 -4.57 114.94 124.32 2wb1 s ASN 442 Ca 0.32 -2.07 0.00 0.00 -1.02 0.00 0.00 52.86 50.08 2wb1 s ASN 442 Cb 0.08 -2.34 0.00 0.00 0.02 0.00 0.00 41.25 39.00 2wb1 s ASN 442 CO 0.08 -0.97 0.00 0.49 0.02 0.00 0.00 177.10 176.73 2wb1 n PHE 443 N 5.94 0.00 0.09 2.20 3.01 -1.26 -4.46 117.46 122.98 2wb1 n PHE 443 Ca 0.16 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.54 2wb1 n PHE 443 Cb 0.48 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.93 2wb1 n PHE 443 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2wb1 h GLU 444 N 0.00 0.16 0.00 -1.08 4.57 -1.97 -3.33 114.58 112.92 2wb1 h GLU 444 Ca 0.00 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 57.92 2wb1 h GLU 444 Cb 0.11 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2wb1 h GLU 444 CO 0.00 0.94 -1.76 0.00 -1.18 0.00 0.00 179.01 177.01 2wb1 n ALA 445 N -2.45 2.42 -0.05 2.92 0.00 -1.26 -4.53 120.51 117.56 2wb1 n ALA 445 Ca -0.03 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 2wb1 n ALA 445 Cb 0.82 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 19.43 2wb1 n ALA 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb1 h ARG 446 N 0.00 0.25 -6.95 0.00 3.08 -1.78 -3.45 114.38 105.53 2wb1 h ARG 446 Ca -0.11 -0.09 -0.52 0.00 0.07 0.00 0.00 59.98 59.33 2wb1 h ARG 446 Cb 1.28 -0.02 0.07 0.00 0.08 0.00 0.00 29.97 31.38 2wb1 h ARG 446 CO 0.01 0.52 0.57 0.16 -1.07 0.00 0.00 179.97 180.16 2wb1 s ASP 447 N -5.80 6.34 0.17 7.04 -4.77 -1.26 -4.30 116.67 114.09 2wb1 s ASP 447 Ca -0.14 2.53 -0.34 0.00 -3.30 0.00 0.00 52.55 51.30 2wb1 s ASP 447 Cb 0.05 -2.63 -0.14 0.00 -1.09 0.00 0.00 42.92 39.12 2wb1 s ASP 447 CO 0.72 -0.82 1.60 -0.11 0.70 0.00 0.00 175.17 177.26 2wb1 n LEU 448 N 0.04 3.25 -4.89 2.11 0.00 -1.26 -4.97 117.00 111.27 2wb1 n LEU 448 Ca 0.04 1.08 -0.35 0.00 0.00 0.00 0.00 56.01 56.78 2wb1 n LEU 448 Cb 0.45 -1.45 -0.05 0.00 0.00 0.00 0.00 43.42 42.36 2wb1 n LEU 448 CO 0.53 -0.21 -0.16 -2.28 0.00 0.00 0.00 177.39 175.27 2wb1 s HIS 449 N 0.96 3.58 0.30 1.96 5.65 -1.26 -5.00 115.29 121.48 2wb1 s HIS 449 Ca 0.78 0.46 0.05 0.00 0.25 0.00 0.00 55.06 56.60 2wb1 s HIS 449 Cb -0.65 -1.90 0.68 0.00 -1.18 0.00 0.00 32.58 29.54 2wb1 s HIS 449 CO 0.37 0.70 1.81 0.78 -0.65 0.00 0.00 174.74 177.75 2wb1 h GLY 450 N 4.49 1.65 2.00 1.59 0.00 -1.94 -1.06 103.07 109.79 2wb1 h GLY 450 Ca -0.52 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.43 2wb1 h GLY 450 CO 0.63 0.05 0.00 -0.91 0.00 0.00 0.00 176.54 176.30 2wb1 h THR 451 N 0.84 0.00 0.00 4.70 1.35 -1.94 -2.12 112.91 115.74 2wb1 h THR 451 Ca 0.53 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.19 2wb1 h THR 451 Cb 0.73 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2wb1 h THR 451 CO -0.31 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.96 2wb1 n GLN 452 N -2.95 0.14 -1.55 4.72 6.02 -0.40 -4.68 117.38 118.68 2wb1 n GLN 452 Ca -0.01 0.19 -0.16 0.00 -0.01 0.00 0.00 57.00 57.01 2wb1 n GLN 452 Cb 0.16 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.83 2wb1 n GLN 452 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 2wb1 n TRP 453 N -1.34 0.98 0.00 1.08 -0.00 -0.80 0.19 117.44 117.54 2wb1 n TRP 453 Ca 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 2wb1 n TRP 453 Cb 0.12 -2.27 0.00 0.00 -0.00 0.00 0.00 31.31 29.16 2wb1 n TRP 453 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2wb1 n GLY 454 N 6.55 1.43 0.08 5.87 0.00 -1.26 -4.95 105.19 112.91 2wb1 n GLY 454 Ca 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 2wb1 n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 n ARG 455 N -1.04 0.49 -4.08 1.61 1.74 0.13 -4.47 116.66 111.04 2wb1 n ARG 455 Ca 0.00 0.46 -0.34 0.00 -0.77 0.00 0.00 57.85 57.20 2wb1 n ARG 455 Cb 0.00 -1.64 -0.07 0.00 -1.02 0.00 0.00 32.46 29.73 2wb1 n ARG 455 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2wb1 s MET 456 N -2.41 3.17 0.22 5.56 -1.94 -0.92 0.17 119.30 123.15 2wb1 s MET 456 Ca -0.21 -0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 53.09 2wb1 s MET 456 Cb 0.04 -2.94 -0.09 0.00 2.01 0.00 0.00 34.83 33.85 2wb1 s MET 456 CO 0.32 0.68 1.19 0.00 -0.01 0.00 0.00 175.02 177.21 2wb1 n PRO 458 N 2.10 1.40 -0.02 0.00 -0.04 -1.26 -4.16 135.00 133.01 2wb1 n PRO 458 Ca 0.03 -0.60 -0.04 0.00 -0.04 0.00 0.00 63.50 62.85 2wb1 n PRO 458 Cb 0.44 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2wb1 n PRO 458 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2wb1 n PHE 459 N -0.21 0.00 -1.82 0.54 3.72 -1.26 -4.95 117.46 113.48 2wb1 n PHE 459 Ca 0.16 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.36 2wb1 n PHE 459 Cb 0.22 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.54 2wb1 n PHE 459 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2wb1 s GLU 460 N -2.07 1.90 -0.01 -1.08 2.02 -1.26 -4.51 118.70 113.69 2wb1 s GLU 460 Ca -0.05 -0.47 -0.00 0.00 0.02 0.00 0.00 54.97 54.46 2wb1 s GLU 460 Cb 0.02 -5.04 0.01 0.00 0.10 0.00 0.00 34.13 29.22 2wb1 s GLU 460 CO 0.08 -4.47 0.02 0.99 0.02 0.00 0.00 175.26 171.90 2wb1 s THR 461 N 13.54 -0.01 0.73 3.63 2.01 -1.26 -3.69 115.64 130.59 2wb1 s THR 461 Ca 0.77 0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.66 2wb1 s THR 461 Cb -0.05 -0.04 -0.02 0.00 0.01 0.00 0.00 72.50 72.40 2wb1 s THR 461 CO 0.11 0.02 0.70 -0.81 -0.69 0.00 0.00 174.62 173.95 2wb1 n PRO 462 N 3.32 0.34 -2.64 4.92 -0.04 -1.26 -4.81 135.00 134.83 2wb1 n PRO 462 Ca -0.15 0.16 -0.23 0.00 -0.04 0.00 0.00 63.50 63.24 2wb1 n PRO 462 Cb 0.58 -1.99 0.11 0.00 -0.04 0.00 0.00 33.50 32.16 2wb1 n PRO 462 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wb1 s GLU 463 N -3.04 1.70 2.72 0.54 8.01 -1.26 -3.51 118.70 123.86 2wb1 s GLU 463 Ca 0.68 -1.20 0.00 0.00 0.01 0.00 0.00 54.97 54.47 2wb1 s GLU 463 Cb -0.34 -2.36 0.00 0.00 -4.31 0.00 0.00 34.13 27.12 2wb1 s GLU 463 CO 0.55 -1.42 0.00 0.41 0.01 0.00 0.00 175.26 174.81 2wb1 n GLY 464 N -2.79 -0.69 0.00 -1.39 0.00 -1.26 -4.08 105.19 94.98 2wb1 n GLY 464 Ca 0.15 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 45.02 2wb1 n GLY 464 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wb1 n PRO 465 N 0.00 0.93 -0.11 1.61 -0.02 -1.26 -2.31 135.00 133.84 2wb1 n PRO 465 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 2wb1 n PRO 465 Cb 0.00 -1.03 0.13 0.00 -0.02 0.00 0.00 33.50 32.58 2wb1 n PRO 465 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wb1 n ASN 466 N -0.53 2.72 -4.70 2.55 5.03 -1.26 -4.91 115.26 114.16 2wb1 n ASN 466 Ca 0.01 -1.80 -0.42 0.00 0.87 0.00 0.00 54.58 53.24 2wb1 n ASN 466 Cb 0.01 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.59 2wb1 n ASN 466 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2wb1 s SER 467 N -1.15 6.51 0.00 6.41 0.01 -0.98 -2.43 113.70 122.08 2wb1 s SER 467 Ca 0.24 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.16 2wb1 s SER 467 Cb 0.14 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2wb1 s SER 467 CO 0.20 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2wb1 n GLY 468 N 4.02 2.66 0.12 3.44 0.00 -1.26 -4.73 105.19 109.44 2wb1 n GLY 468 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 2wb1 n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wb1 h LEU 469 N 0.00 0.43 -8.71 0.99 3.38 -1.79 -3.43 115.31 106.19 2wb1 h LEU 469 Ca 0.00 -0.62 -0.64 0.00 0.09 0.00 0.00 57.88 56.70 2wb1 h LEU 469 Cb 0.00 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 40.39 2wb1 h LEU 469 CO 0.00 1.52 -0.63 0.54 0.09 0.00 0.00 178.44 179.97 2wb1 s VAL 470 N -2.61 4.27 0.30 1.22 0.11 -1.02 -2.05 120.40 120.62 2wb1 s VAL 470 Ca -0.11 -0.19 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 2wb1 s VAL 470 Cb 0.06 -2.97 -0.01 0.00 -1.53 0.00 0.00 36.38 31.93 2wb1 s VAL 470 CO 0.85 0.38 0.11 2.29 -3.33 0.00 0.00 175.10 175.39 2wb1 n LYS 471 N 4.59 0.68 -4.36 1.54 2.85 -0.77 -4.44 118.16 118.26 2wb1 n LYS 471 Ca -0.16 -2.50 -0.29 0.00 -1.05 0.00 0.00 58.31 54.30 2wb1 n LYS 471 Cb 0.52 1.36 -0.12 0.00 -0.65 0.00 0.00 35.03 36.13 2wb1 n LYS 471 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2wb1 s ASN 472 N -2.82 3.60 0.32 -5.58 -0.87 -1.24 -0.18 114.94 108.17 2wb1 s ASN 472 Ca 0.15 -0.65 -0.29 0.00 -1.57 0.00 0.00 52.86 50.50 2wb1 s ASN 472 Cb 0.01 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.25 40.75 2wb1 s ASN 472 CO 0.11 0.18 1.33 -0.76 -2.57 0.00 0.00 177.10 175.39 2wb1 s LEU 473 N -2.09 4.42 0.59 0.60 1.43 0.95 -2.09 118.68 122.49 2wb1 s LEU 473 Ca 0.16 2.70 -0.13 0.00 -1.03 0.00 0.00 54.13 55.83 2wb1 s LEU 473 Cb -0.10 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 2wb1 s LEU 473 CO 0.08 -0.57 1.02 0.00 0.23 0.00 0.00 176.35 177.10 2wb1 s ALA 474 N -0.97 3.07 0.70 4.21 0.00 0.13 -4.25 121.76 124.64 2wb1 s ALA 474 Ca 0.51 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 2wb1 s ALA 474 Cb -0.40 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 2wb1 s ALA 474 CO 0.52 -0.55 0.35 1.28 0.00 0.00 0.00 175.76 177.36 2wb1 n LEU 475 N -2.35 -0.24 -2.67 0.00 4.77 0.17 -2.94 117.00 113.74 2wb1 n LEU 475 Ca 0.06 0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 56.43 2wb1 n LEU 475 Cb 0.54 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2wb1 n LEU 475 CO 0.54 -3.53 -0.15 0.23 -1.33 0.00 0.00 177.39 173.15 2wb1 n MET 476 N -0.14 -2.84 -4.19 3.23 2.81 -1.26 -4.82 117.12 109.90 2wb1 n MET 476 Ca 0.09 0.84 -0.34 0.00 -1.81 0.00 0.00 57.70 56.48 2wb1 n MET 476 Cb 0.50 -5.56 -0.13 0.00 -0.71 0.00 0.00 33.22 27.32 2wb1 n MET 476 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wb1 s ALA 477 N -2.98 2.96 -0.06 3.04 0.00 -1.15 -4.30 121.76 119.27 2wb1 s ALA 477 Ca 0.12 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2wb1 s ALA 477 Cb -0.06 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 2wb1 s ALA 477 CO 0.15 -0.06 -0.07 -0.65 0.00 0.00 0.00 175.76 175.13 2wb1 s GLN 478 N 0.84 2.72 -0.29 0.00 -0.21 -0.29 -4.92 119.66 117.51 2wb1 s GLN 478 Ca -0.00 -0.57 -0.14 0.00 0.02 0.00 0.00 55.36 54.66 2wb1 s GLN 478 Cb -0.14 -2.58 -0.03 0.00 1.00 0.00 0.00 33.01 31.26 2wb1 s GLN 478 CO 0.02 0.66 0.35 0.42 -2.12 0.00 0.00 175.29 174.61 2wb1 s ILE 479 N -0.84 5.19 0.10 1.08 1.01 -1.26 0.12 121.20 126.60 2wb1 s ILE 479 Ca 0.13 0.37 -0.31 0.00 0.00 0.00 0.00 60.65 60.84 2wb1 s ILE 479 Cb -0.11 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 2wb1 s ILE 479 CO 0.02 0.09 1.57 0.00 0.00 0.00 0.00 174.94 176.63 2wb1 s ALA 480 N 2.02 3.69 -0.01 9.38 0.00 -0.74 -4.84 121.76 131.27 2wb1 s ALA 480 Ca 0.13 1.22 -0.28 0.00 0.00 0.00 0.00 51.96 53.04 2wb1 s ALA 480 Cb -0.16 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 2wb1 s ALA 480 CO 0.11 -0.92 0.88 0.14 0.00 0.00 0.00 175.76 175.96 2wb1 s VAL 481 N 1.93 4.89 1.14 0.00 -7.23 -1.26 -0.28 120.40 119.58 2wb1 s VAL 481 Ca 0.71 1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 62.53 2wb1 s VAL 481 Cb -0.40 -4.22 0.16 0.00 0.56 0.00 0.00 36.38 32.48 2wb1 s VAL 481 CO 0.31 0.22 0.22 0.61 -0.31 0.00 0.00 175.10 176.15 2wb1 n GLY 482 N 2.87 -2.55 3.17 2.32 0.00 -1.26 -4.65 105.19 105.09 2wb1 n GLY 482 Ca 0.03 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 2wb1 n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 483 N -2.22 -0.02 -0.17 -0.61 1.01 -1.04 -4.81 121.20 113.34 2wb1 s ILE 483 Ca 0.56 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.98 2wb1 s ILE 483 Cb -0.13 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 2wb1 s ILE 483 CO 0.61 0.03 1.62 0.21 0.00 0.00 0.00 174.94 177.41 2wb1 s ASN 484 N 0.78 6.46 0.42 3.58 3.84 -1.26 -4.59 114.94 124.17 2wb1 s ASN 484 Ca -0.05 1.79 0.27 0.00 0.21 0.00 0.00 52.86 55.08 2wb1 s ASN 484 Cb -0.06 -2.53 1.38 0.00 -0.55 0.00 0.00 41.25 39.49 2wb1 s ASN 484 CO -0.05 -1.16 1.62 -0.33 -2.79 0.00 0.00 177.10 174.39 2wb1 h GLU 485 N 10.38 0.09 0.00 0.43 5.08 -1.99 0.17 114.58 128.74 2wb1 h GLU 485 Ca -0.35 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2wb1 h GLU 485 Cb 1.16 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2wb1 h GLU 485 CO 0.99 0.06 0.00 1.63 -1.00 0.00 0.00 179.01 180.69 2wb1 n LYS 486 N -4.80 0.51 -0.10 2.33 5.02 -1.26 0.62 118.16 120.48 2wb1 n LYS 486 Ca 0.37 0.04 -0.18 0.00 -2.02 0.00 0.00 58.31 56.52 2wb1 n LYS 486 Cb 1.37 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.79 2wb1 n LYS 486 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2wb1 n ILE 487 N -1.17 1.51 -0.03 -0.18 2.08 0.57 -4.31 119.36 117.84 2wb1 n ILE 487 Ca 0.14 0.02 -0.11 0.00 0.56 0.00 0.00 62.75 63.36 2wb1 n ILE 487 Cb 0.15 -2.12 -0.05 0.00 -0.75 0.00 0.00 39.64 36.86 2wb1 n ILE 487 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2wb1 h VAL 488 N -1.00 1.12 0.00 1.39 2.07 -1.11 -2.90 116.25 115.82 2wb1 h VAL 488 Ca -0.28 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2wb1 h VAL 488 Cb 1.12 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2wb1 h VAL 488 CO -0.17 0.11 -0.03 1.05 0.02 0.00 0.00 177.57 178.55 2wb1 h GLU 489 N 0.09 0.00 -0.02 1.57 4.11 -0.09 -1.28 114.58 118.95 2wb1 h GLU 489 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2wb1 h GLU 489 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2wb1 h GLU 489 CO -0.01 0.03 0.00 1.63 0.07 0.00 0.00 179.01 180.74 2wb1 n LYS 490 N -3.12 1.10 -0.01 1.06 5.02 -1.11 -2.84 118.16 118.27 2wb1 n LYS 490 Ca 0.02 -0.15 0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2wb1 n LYS 490 Cb 0.43 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 2wb1 n LYS 490 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2wb1 n THR 491 N -0.62 0.00 -0.01 -0.18 -1.04 -0.50 -4.49 114.28 107.44 2wb1 n THR 491 Ca 0.14 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.05 61.72 2wb1 n THR 491 Cb 0.10 0.22 -0.09 0.00 -1.82 0.00 0.00 70.33 68.73 2wb1 n THR 491 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2wb1 h LEU 492 N 0.00 0.01 -1.23 -4.42 3.38 -1.35 -2.93 115.31 108.77 2wb1 h LEU 492 Ca 0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2wb1 h LEU 492 Cb 0.60 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2wb1 h LEU 492 CO 0.00 0.43 0.00 1.88 0.09 0.00 0.00 178.44 180.84 2wb1 h TYR 493 N -0.40 0.00 -0.02 1.13 -1.99 -1.78 -0.80 116.97 113.11 2wb1 h TYR 493 Ca 0.00 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 2wb1 h TYR 493 Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 2wb1 h TYR 493 CO 0.07 0.00 -0.41 0.93 -0.00 0.00 0.00 178.16 178.75 2wb1 h GLU 494 N 0.00 0.05 -0.26 4.88 5.08 -1.74 -3.26 114.58 119.33 2wb1 h GLU 494 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wb1 h GLU 494 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2wb1 h GLU 494 CO 0.00 0.45 0.00 -1.33 -1.00 0.00 0.00 179.01 177.13 2wb1 n MET 495 N -4.05 2.16 0.00 2.33 2.81 -0.34 -4.94 117.12 115.09 2wb1 n MET 495 Ca -0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 57.70 53.87 2wb1 n MET 495 Cb 0.45 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 2wb1 n MET 495 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wb1 n GLY 496 N 1.20 0.58 3.72 3.03 0.00 -1.03 -5.03 105.19 107.67 2wb1 n GLY 496 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2wb1 n GLY 496 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb1 s VAL 497 N -1.36 4.46 -0.25 1.61 1.01 -1.10 -4.68 120.40 120.09 2wb1 s VAL 497 Ca 0.00 1.97 -0.08 0.00 0.00 0.00 0.00 61.98 63.86 2wb1 s VAL 497 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2wb1 s VAL 497 CO 0.00 0.26 0.10 -0.69 0.00 0.00 0.00 175.10 174.78 2wb1 s VAL 498 N 0.25 4.63 0.40 2.92 1.01 -1.26 -4.45 120.40 123.90 2wb1 s VAL 498 Ca 0.49 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.15 2wb1 s VAL 498 Cb -0.24 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 2wb1 s VAL 498 CO 0.30 0.33 1.17 -2.16 0.00 0.00 0.00 175.10 174.74 2wb1 s PRO 499 N 1.50 4.06 0.27 2.72 0.04 -1.26 -2.12 135.00 140.22 2wb1 s PRO 499 Ca 0.06 1.85 0.05 0.00 0.04 0.00 0.00 61.00 62.99 2wb1 s PRO 499 Cb -0.15 -2.68 0.74 0.00 0.04 0.00 0.00 34.50 32.45 2wb1 s PRO 499 CO 0.05 -0.32 1.34 0.28 0.04 0.00 0.00 177.00 178.39 2wb1 n VAL 500 N 0.08 -0.36 -0.35 -0.36 0.31 -1.17 -0.52 118.33 115.96 2wb1 n VAL 500 Ca 0.04 1.85 0.01 0.00 -0.01 0.00 0.00 64.34 66.24 2wb1 n VAL 500 Cb 0.46 -2.76 0.07 0.00 -0.91 0.00 0.00 33.84 30.70 2wb1 n VAL 500 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wb1 n GLU 501 N -5.18 -0.17 0.02 5.55 2.13 -1.26 -1.97 120.64 119.75 2wb1 n GLU 501 Ca 0.22 1.44 -0.19 0.00 0.66 0.00 0.00 57.16 59.30 2wb1 n GLU 501 Cb 0.74 -2.14 -0.11 0.00 0.27 0.00 0.00 31.44 30.20 2wb1 n GLU 501 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2wb1 h GLU 502 N 0.00 0.55 -0.65 5.31 4.81 -1.16 -3.34 114.58 120.09 2wb1 h GLU 502 Ca 0.36 -0.58 0.05 0.00 -0.13 0.00 0.00 59.36 59.07 2wb1 h GLU 502 Cb 0.60 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 2wb1 h GLU 502 CO -0.94 1.20 0.43 0.28 -0.73 0.00 0.00 179.01 179.25 2wb1 h VAL 503 N 0.13 1.03 0.77 0.32 2.07 -1.38 -0.06 116.25 119.13 2wb1 h VAL 503 Ca -0.09 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2wb1 h VAL 503 Cb 1.46 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2wb1 h VAL 503 CO 0.15 0.13 -0.37 0.40 0.02 0.00 0.00 177.57 177.90 2wb1 h ILE 504 N 0.69 0.20 -1.85 4.57 1.08 -1.63 -3.04 117.51 117.53 2wb1 h ILE 504 Ca 0.28 -0.09 -0.75 0.00 -0.39 0.00 0.00 64.86 63.90 2wb1 h ILE 504 Cb 0.21 0.22 -0.23 0.00 -3.07 0.00 0.00 36.82 33.96 2wb1 h ILE 504 CO -0.08 0.01 1.25 -2.11 -0.69 0.00 0.00 178.15 176.52 2wb1 n ARG 505 N -5.51 4.33 0.00 2.37 -4.01 -0.91 -3.79 116.66 109.14 2wb1 n ARG 505 Ca -0.14 -3.92 0.00 0.00 -1.04 0.00 0.00 57.85 52.75 2wb1 n ARG 505 Cb 0.42 -2.42 0.00 0.00 -3.04 0.00 0.00 32.46 27.42 2wb1 n ARG 505 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 2wb1 n ARG 506 N 0.27 1.33 -0.08 2.89 0.00 -0.08 -4.64 116.66 116.35 2wb1 n ARG 506 Ca 0.52 -0.22 -0.09 0.00 -0.00 0.00 0.00 57.85 58.06 2wb1 n ARG 506 Cb 0.28 -0.66 -0.10 0.00 0.00 0.00 0.00 32.46 31.98 2wb1 n ARG 506 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wb1 n VAL 507 N -0.25 0.99 1.89 5.15 0.24 -1.25 -5.04 118.33 120.06 2wb1 n VAL 507 Ca 0.00 -0.51 0.10 0.00 -2.04 0.00 0.00 64.34 61.89 2wb1 n VAL 507 Cb 0.05 -0.85 0.58 0.00 -1.47 0.00 0.00 33.84 32.15 2wb1 n VAL 507 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wb1 n THR 508 N -2.74 0.00 0.00 3.34 -2.24 -1.26 -5.21 114.28 106.16 2wb1 n THR 508 Ca -0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2wb1 n THR 508 Cb 0.90 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2wb1 n THR 508 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2wb1 n LYS 519 N -0.82 0.00 -4.59 -0.78 2.85 -1.26 -4.95 118.16 108.60 2wb1 n LYS 519 Ca 0.15 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.14 2wb1 n LYS 519 Cb 0.07 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.28 2wb1 n LYS 519 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2wb1 s TRP 520 N 0.00 1.70 0.00 5.58 0.52 -1.26 -4.93 118.94 120.55 2wb1 s TRP 520 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.42 2wb1 s TRP 520 Cb 0.00 -1.23 0.00 0.00 -1.15 0.00 0.00 33.47 31.09 2wb1 s TRP 520 CO 0.00 -0.35 0.00 0.45 0.02 0.00 0.00 176.95 177.07 2wb1 n SER 521 N 3.94 0.00 -4.83 2.95 2.88 -1.25 -3.51 113.62 113.79 2wb1 n SER 521 Ca -0.21 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 56.95 2wb1 n SER 521 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 2wb1 n SER 521 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wb1 s LYS 522 N -3.25 3.91 -0.21 -1.46 1.02 -0.30 -3.78 119.74 115.67 2wb1 s LYS 522 Ca 0.00 0.38 -0.07 0.00 0.02 0.00 0.00 55.97 56.29 2wb1 s LYS 522 Cb 0.00 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 2wb1 s LYS 522 CO 0.00 0.67 0.07 0.08 -0.92 0.00 0.00 175.35 175.25 2wb1 s VAL 523 N -1.00 4.61 -0.07 3.17 1.01 0.31 -0.70 120.40 127.74 2wb1 s VAL 523 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2wb1 s VAL 523 Cb -0.16 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2wb1 s VAL 523 CO 0.13 0.40 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 2wb1 s ILE 524 N 0.94 1.16 -0.21 2.22 1.09 -0.87 -0.74 121.20 124.80 2wb1 s ILE 524 Ca 0.04 -0.48 -0.02 0.00 -1.10 0.00 0.00 60.65 59.09 2wb1 s ILE 524 Cb -0.14 -1.07 0.01 0.00 -1.06 0.00 0.00 42.46 40.20 2wb1 s ILE 524 CO 0.03 0.36 -0.11 -0.22 -0.10 0.00 0.00 174.94 174.90 2wb1 s LEU 525 N 0.74 2.61 -1.27 2.97 1.98 0.21 0.03 118.68 125.95 2wb1 s LEU 525 Ca -0.13 -0.55 -0.29 0.00 -2.89 0.00 0.00 54.13 50.27 2wb1 s LEU 525 Cb -0.16 -1.62 0.04 0.00 0.66 0.00 0.00 46.19 45.11 2wb1 s LEU 525 CO 0.03 -0.02 0.58 0.59 -1.89 0.00 0.00 176.35 175.63 2wb1 n ASN 526 N 4.71 -3.32 -0.82 3.68 3.02 -0.90 -0.48 115.26 121.14 2wb1 n ASN 526 Ca -0.19 -1.30 -0.11 0.00 -0.03 0.00 0.00 54.58 52.96 2wb1 n ASN 526 Cb 0.50 -1.69 -0.05 0.00 -0.61 0.00 0.00 39.78 37.94 2wb1 n ASN 526 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb1 n GLY 527 N -2.17 1.20 2.83 7.41 0.00 -1.26 -4.55 105.19 108.64 2wb1 n GLY 527 Ca -0.15 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 2wb1 n GLY 527 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wb1 s ARG 528 N -2.85 0.62 -0.10 1.61 3.52 0.37 -4.39 118.95 117.72 2wb1 s ARG 528 Ca 0.00 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.33 2wb1 s ARG 528 Cb 0.00 -0.81 -0.04 0.00 -1.56 0.00 0.00 34.95 32.54 2wb1 s ARG 528 CO 0.00 -0.18 1.50 -1.17 -0.81 0.00 0.00 175.30 174.64 2wb1 s LEU 529 N 1.37 4.25 -0.22 -0.88 0.20 -1.26 0.67 118.68 122.81 2wb1 s LEU 529 Ca -0.04 2.00 -0.07 0.00 0.69 0.00 0.00 54.13 56.70 2wb1 s LEU 529 Cb -0.13 -3.54 -0.11 0.00 -0.43 0.00 0.00 46.19 41.98 2wb1 s LEU 529 CO -0.02 -0.88 -0.25 0.52 -0.29 0.00 0.00 176.35 175.42 2wb1 n VAL 530 N 5.48 1.22 -2.82 1.68 0.31 0.08 -4.87 118.33 119.41 2wb1 n VAL 530 Ca 0.16 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2wb1 n VAL 530 Cb 0.44 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 2wb1 n VAL 530 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wb1 n GLY 531 N 1.90 2.01 0.00 2.92 0.00 -1.09 -3.06 105.19 107.87 2wb1 n GLY 531 Ca -0.42 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2wb1 n GLY 531 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wb1 n TYR 532 N 0.00 0.00 -1.15 1.61 4.02 -0.90 0.12 117.16 120.86 2wb1 n TYR 532 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wb1 n TYR 532 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wb1 n TYR 532 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 2wb1 n TYR 533 N -0.21 -0.84 -2.47 -0.72 9.36 -1.25 -4.00 117.16 117.04 2wb1 n TYR 533 Ca 0.00 0.50 -0.42 0.00 3.32 0.00 0.00 57.90 61.30 2wb1 n TYR 533 Cb 0.00 -2.31 -0.03 0.00 -0.63 0.00 0.00 39.34 36.36 2wb1 n TYR 533 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2wb1 s ARG 534 N -1.91 4.50 0.00 2.98 3.52 -1.26 -4.28 118.95 122.49 2wb1 s ARG 534 Ca 0.00 1.73 0.00 0.00 -0.13 0.00 0.00 55.73 57.33 2wb1 s ARG 534 Cb 0.00 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 2wb1 s ARG 534 CO 0.00 -0.13 0.00 -3.47 -0.81 0.00 0.00 175.30 170.89 2wb1 n ASP 535 N 3.35 -1.26 -0.28 -2.12 -0.08 -1.23 -4.96 116.55 109.97 2wb1 n ASP 535 Ca 0.06 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.30 2wb1 n ASP 535 Cb 0.47 -0.63 0.07 0.00 2.34 0.00 0.00 41.12 43.36 2wb1 n ASP 535 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2wb1 h GLY 536 N 0.00 1.08 0.49 0.27 0.00 -1.77 -2.81 103.07 100.32 2wb1 h GLY 536 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 47.33 47.01 2wb1 h GLY 536 CO 0.00 0.39 0.20 0.83 0.00 0.00 0.00 176.54 177.95 2wb1 h GLU 537 N 1.03 0.37 -0.77 4.80 5.08 -1.96 -2.20 114.58 120.92 2wb1 h GLU 537 Ca 0.28 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2wb1 h GLU 537 Cb -0.11 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 2wb1 h GLU 537 CO -0.06 0.24 0.40 0.93 -1.00 0.00 0.00 179.01 179.52 2wb1 h GLU 538 N 0.38 1.08 -0.21 2.33 5.08 -1.89 0.62 114.58 121.97 2wb1 h GLU 538 Ca 0.26 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2wb1 h GLU 538 Cb 0.29 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2wb1 h GLU 538 CO -0.26 0.81 -0.13 1.25 -1.00 0.00 0.00 179.01 179.67 2wb1 h LEU 539 N 1.08 -0.43 -0.24 1.33 7.12 -1.26 0.29 115.31 123.21 2wb1 h LEU 539 Ca 0.27 0.09 -0.02 0.00 0.13 0.00 0.00 57.88 58.36 2wb1 h LEU 539 Cb 0.06 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.40 2wb1 h LEU 539 CO -0.04 -0.17 0.08 0.00 -0.13 0.00 0.00 178.44 178.19 2wb1 h ALA 540 N 1.03 0.31 -0.21 1.25 0.00 -1.14 -2.46 119.26 118.06 2wb1 h ALA 540 Ca 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2wb1 h ALA 540 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wb1 h ALA 540 CO -0.29 -0.08 -0.06 0.87 0.00 0.00 0.00 179.25 179.70 2wb1 h LYS 541 N 0.22 0.31 -0.09 0.00 1.57 -0.33 -1.05 116.57 117.21 2wb1 h LYS 541 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2wb1 h LYS 541 Cb 0.21 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2wb1 h LYS 541 CO -0.00 0.39 -0.02 0.87 -0.57 0.00 0.00 179.45 180.11 2wb1 h LYS 542 N 0.30 0.17 -0.99 3.15 1.57 -0.37 -2.39 116.57 118.01 2wb1 h LYS 542 Ca 0.07 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2wb1 h LYS 542 Cb 0.30 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2wb1 h LYS 542 CO 0.01 0.49 0.65 0.82 -0.57 0.00 0.00 179.45 180.86 2wb1 h ILE 543 N -0.17 1.22 -0.00 1.86 2.04 -0.92 -2.96 117.51 118.57 2wb1 h ILE 543 Ca 0.02 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2wb1 h ILE 543 Cb 0.44 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2wb1 h ILE 543 CO 0.01 0.24 -0.01 0.03 0.00 0.00 0.00 178.15 178.42 2wb1 h ARG 544 N 1.30 0.01 0.00 2.37 3.08 -1.24 -1.89 114.38 118.01 2wb1 h ARG 544 Ca 0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2wb1 h ARG 544 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2wb1 h ARG 544 CO -0.10 0.58 0.00 0.39 -1.07 0.00 0.00 179.97 179.78 2wb1 n GLU 545 N -4.80 0.07 -0.13 0.04 1.02 -0.90 -1.72 120.64 114.22 2wb1 n GLU 545 Ca -0.09 0.45 -0.25 0.00 -0.02 0.00 0.00 57.16 57.26 2wb1 n GLU 545 Cb 0.29 -1.69 -0.11 0.00 -0.02 0.00 0.00 31.44 29.92 2wb1 n GLU 545 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wb1 n ARG 546 N -1.83 0.62 -0.02 3.49 1.74 -1.12 -3.55 116.66 115.97 2wb1 n ARG 546 Ca 0.01 0.23 0.19 0.00 -0.77 0.00 0.00 57.85 57.51 2wb1 n ARG 546 Cb 0.10 -1.52 0.66 0.00 -1.02 0.00 0.00 32.46 30.68 2wb1 n ARG 546 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2wb1 h ARG 547 N -0.58 0.07 0.10 5.56 1.12 -0.96 1.29 114.38 120.99 2wb1 h ARG 547 Ca -0.64 -0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 57.94 2wb1 h ARG 547 Cb 1.73 -0.02 0.02 0.00 -0.01 0.00 0.00 29.97 31.69 2wb1 h ARG 547 CO -0.27 0.05 -1.20 0.00 -3.11 0.00 0.00 179.97 175.44 2wb1 h ARG 548 N 0.07 0.57 0.00 0.20 3.08 -1.52 -3.20 114.38 113.58 2wb1 h ARG 548 Ca 0.27 -0.75 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 2wb1 h ARG 548 Cb 0.97 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 2wb1 h ARG 548 CO -0.02 1.33 -0.13 0.87 -1.07 0.00 0.00 179.97 180.95 2wb1 h LYS 549 N 0.26 0.00 0.00 0.04 1.79 -0.83 -3.35 116.57 114.48 2wb1 h LYS 549 Ca -0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2wb1 h LYS 549 Cb 1.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.52 2wb1 h LYS 549 CO 0.22 0.13 0.00 0.41 -1.08 0.00 0.00 179.45 179.13 2wb1 n GLY 550 N 0.48 0.95 0.08 3.86 0.00 0.42 -4.97 105.19 106.01 2wb1 n GLY 550 Ca 0.01 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.63 2wb1 n GLY 550 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wb1 h GLU 551 N 0.00 0.00 -4.85 1.61 4.81 -1.40 -3.47 114.58 111.29 2wb1 h GLU 551 Ca 0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 2wb1 h GLU 551 Cb 0.34 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.58 2wb1 h GLU 551 CO 0.00 0.00 -0.68 -1.50 -0.73 0.00 0.00 179.01 176.10 2wb1 s ILE 552 N -3.17 0.83 0.44 2.32 1.10 -1.25 -4.96 121.20 116.52 2wb1 s ILE 552 Ca 0.07 -1.99 -0.25 0.00 -0.51 0.00 0.00 60.65 57.97 2wb1 s ILE 552 Cb 0.13 -1.96 -0.08 0.00 0.15 0.00 0.00 42.46 40.70 2wb1 s ILE 552 CO 0.70 -0.63 1.31 -0.55 -2.11 0.00 0.00 174.94 173.66 2wb1 s SER 553 N -3.15 6.08 0.61 4.50 0.15 -1.26 -4.42 113.70 116.21 2wb1 s SER 553 Ca 0.19 2.66 0.32 0.00 0.70 0.00 0.00 55.95 59.82 2wb1 s SER 553 Cb 0.05 -2.64 1.87 0.00 -1.71 0.00 0.00 66.02 63.60 2wb1 s SER 553 CO 0.01 -1.01 2.22 0.44 1.20 0.00 0.00 173.24 176.10 2wb1 h ASP 554 N 2.37 0.00 -0.32 5.45 5.19 -1.98 -3.10 116.42 124.02 2wb1 h ASP 554 Ca -0.50 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.89 2wb1 h ASP 554 Cb 1.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 2wb1 h ASP 554 CO 0.61 0.00 0.01 -0.62 -3.12 0.00 0.00 179.24 176.12 2wb1 n GLU 555 N -3.67 3.09 -3.48 3.56 1.02 -1.26 -4.83 120.64 115.08 2wb1 n GLU 555 Ca -0.02 -2.92 -0.43 0.00 -0.02 0.00 0.00 57.16 53.78 2wb1 n GLU 555 Cb 0.16 -1.91 -0.07 0.00 -0.02 0.00 0.00 31.44 29.60 2wb1 n GLU 555 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wb1 s VAL 556 N -2.86 4.55 0.10 2.62 1.01 -1.18 -4.51 120.40 120.13 2wb1 s VAL 556 Ca 0.44 -1.65 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 2wb1 s VAL 556 Cb 0.36 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 2wb1 s VAL 556 CO 0.09 -0.78 0.47 0.20 0.00 0.00 0.00 175.10 175.08 2wb1 s ASN 557 N 2.92 6.76 -0.05 3.32 0.02 0.15 -4.94 114.94 123.11 2wb1 s ASN 557 Ca 0.05 0.95 -0.00 0.00 -1.02 0.00 0.00 52.86 52.84 2wb1 s ASN 557 Cb -0.27 -2.24 0.03 0.00 0.02 0.00 0.00 41.25 38.78 2wb1 s ASN 557 CO 0.01 0.16 -0.01 -0.69 0.02 0.00 0.00 177.10 176.59 2wb1 s VAL 558 N -1.39 0.38 0.05 1.60 1.01 -1.26 -0.73 120.40 120.07 2wb1 s VAL 558 Ca 0.34 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.44 2wb1 s VAL 558 Cb -0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2wb1 s VAL 558 CO 0.18 0.23 -0.23 -0.83 0.00 0.00 0.00 175.10 174.45 2wb1 s GLY 559 N 1.46 1.25 -0.47 4.51 0.00 -0.66 -4.50 107.32 108.90 2wb1 s GLY 559 Ca -0.03 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 2wb1 s GLY 559 CO -0.03 -1.06 0.25 -1.58 0.00 0.00 0.00 173.10 170.68 2wb1 s HIS 560 N -0.81 3.52 -0.20 1.90 2.46 -1.26 -0.46 115.29 120.44 2wb1 s HIS 560 Ca 0.09 -2.68 -0.27 0.00 0.47 0.00 0.00 55.06 52.68 2wb1 s HIS 560 Cb -0.09 -3.13 -0.01 0.00 -0.13 0.00 0.00 32.58 29.22 2wb1 s HIS 560 CO 0.02 -0.91 0.91 0.42 -2.47 0.00 0.00 174.74 172.71 2wb1 s ILE 561 N 0.60 4.80 -0.04 0.89 1.01 0.26 -4.84 121.20 123.89 2wb1 s ILE 561 Ca 0.12 1.76 -0.03 0.00 0.00 0.00 0.00 60.65 62.51 2wb1 s ILE 561 Cb -0.22 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 2wb1 s ILE 561 CO -0.04 -0.06 -0.06 0.52 0.00 0.00 0.00 174.94 175.31 2wb1 n VAL 562 N 5.02 0.34 -1.23 2.92 0.31 -1.26 -1.12 118.33 123.31 2wb1 n VAL 562 Ca 0.07 0.43 0.16 0.00 -0.01 0.00 0.00 64.34 64.99 2wb1 n VAL 562 Cb 0.48 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 2wb1 n VAL 562 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2wb1 n THR 563 N -2.86 0.00 1.17 2.52 -1.04 -1.26 -3.92 114.28 108.88 2wb1 n THR 563 Ca -0.02 0.21 0.13 0.00 -2.04 0.00 0.00 64.05 62.32 2wb1 n THR 563 Cb 0.08 -0.61 0.32 0.00 -1.82 0.00 0.00 70.33 68.30 2wb1 n THR 563 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2wb1 n ASP 564 N -4.31 0.93 0.00 8.00 8.00 -1.26 -4.56 116.55 123.35 2wb1 n ASP 564 Ca -0.01 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.73 2wb1 n ASP 564 Cb 0.64 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 2wb1 n ASP 564 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wb1 n PHE 565 N -0.86 0.00 -3.93 1.24 3.01 -1.26 -5.07 117.46 110.59 2wb1 n PHE 565 Ca 0.10 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.21 2wb1 n PHE 565 Cb 0.35 0.08 -0.14 0.00 -0.01 0.00 0.00 39.48 39.76 2wb1 n PHE 565 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 2wb1 s ILE 566 N -1.74 2.97 -0.64 4.37 -5.25 -1.26 -5.06 121.20 114.59 2wb1 s ILE 566 Ca 0.00 -1.10 -0.19 0.00 -0.99 0.00 0.00 60.65 58.38 2wb1 s ILE 566 Cb 0.00 -2.56 0.11 0.00 2.95 0.00 0.00 42.46 42.96 2wb1 s ILE 566 CO 0.00 0.11 0.76 0.21 -1.79 0.00 0.00 174.94 174.23 2wb1 s ASN 567 N 1.32 6.26 -0.10 4.36 3.84 -1.25 -4.19 114.94 125.16 2wb1 s ASN 567 Ca -0.01 -1.54 0.02 0.00 0.21 0.00 0.00 52.86 51.54 2wb1 s ASN 567 Cb -0.17 -2.31 0.01 0.00 -0.55 0.00 0.00 41.25 38.23 2wb1 s ASN 567 CO -0.03 -1.10 -0.16 -1.61 -2.79 0.00 0.00 177.10 171.41 2wb1 s GLU 568 N 2.60 2.29 -0.25 0.43 2.02 -0.27 -1.15 118.70 124.36 2wb1 s GLU 568 Ca 0.14 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.48 2wb1 s GLU 568 Cb -0.21 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 2wb1 s GLU 568 CO 0.04 -0.02 0.04 0.08 0.02 0.00 0.00 175.26 175.42 2wb1 s VAL 569 N 0.85 3.94 -0.17 2.63 1.01 0.12 0.92 120.40 129.71 2wb1 s VAL 569 Ca -0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 2wb1 s VAL 569 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2wb1 s VAL 569 CO 0.00 0.29 0.02 -1.00 0.00 0.00 0.00 175.10 174.42 2wb1 s HIS 570 N 1.54 3.17 -0.25 5.22 3.76 0.40 -2.04 115.29 127.09 2wb1 s HIS 570 Ca 0.05 -0.05 -0.04 0.00 -0.15 0.00 0.00 55.06 54.87 2wb1 s HIS 570 Cb -0.15 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.52 2wb1 s HIS 570 CO 0.01 0.11 -0.02 0.08 -0.85 0.00 0.00 174.74 174.07 2wb1 s VAL 571 N 0.29 3.35 -0.09 -0.90 1.01 0.10 -1.65 120.40 122.52 2wb1 s VAL 571 Ca 0.01 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2wb1 s VAL 571 Cb -0.13 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2wb1 s VAL 571 CO 0.01 0.25 -0.19 0.20 0.00 0.00 0.00 175.10 175.37 2wb1 s ASN 572 N 1.43 3.52 0.00 3.32 0.01 0.10 -2.12 114.94 121.19 2wb1 s ASN 572 Ca 0.03 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.76 2wb1 s ASN 572 Cb -0.16 -1.20 0.00 0.00 0.41 0.00 0.00 41.25 40.30 2wb1 s ASN 572 CO -0.02 0.22 0.20 0.00 -1.51 0.00 0.00 177.10 175.99 2wb1 s ASP 574 N 0.00 6.33 0.26 0.00 3.84 -1.26 -2.49 116.67 123.35 2wb1 s ASP 574 Ca 0.00 1.56 -0.30 0.00 -0.00 0.00 0.00 52.55 53.81 2wb1 s ASP 574 Cb 0.00 -2.50 -0.14 0.00 -1.38 0.00 0.00 42.92 38.90 2wb1 s ASP 574 CO 0.00 -0.79 1.18 -0.24 -0.00 0.00 0.00 175.17 175.31 2wb1 n SER 575 N -2.07 1.87 0.00 2.11 2.88 -1.26 -4.18 113.62 112.97 2wb1 n SER 575 Ca 0.07 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 2wb1 n SER 575 Cb 0.54 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2wb1 n SER 575 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wb1 n GLY 576 N 1.52 1.09 3.72 0.46 0.00 0.61 -4.86 105.19 107.73 2wb1 n GLY 576 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2wb1 n GLY 576 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wb1 s ARG 577 N -0.63 4.38 -0.07 1.61 0.52 -1.26 -0.31 118.95 123.19 2wb1 s ARG 577 Ca 0.00 0.65 -0.28 0.00 -0.52 0.00 0.00 55.73 55.58 2wb1 s ARG 577 Cb 0.00 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 2wb1 s ARG 577 CO 0.00 0.10 0.91 0.08 0.02 0.00 0.00 175.30 176.41 2wb1 s VAL 578 N 0.76 4.88 0.18 3.52 1.01 -1.26 -1.79 120.40 127.69 2wb1 s VAL 578 Ca 0.31 1.86 0.10 0.00 0.00 0.00 0.00 61.98 64.25 2wb1 s VAL 578 Cb -0.16 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2wb1 s VAL 578 CO 0.14 0.11 -0.21 -0.13 0.00 0.00 0.00 175.10 175.01 2wb1 s ARG 579 N 1.46 1.38 -0.05 2.72 0.52 0.12 -4.30 118.95 120.79 2wb1 s ARG 579 Ca 0.46 -1.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.24 2wb1 s ARG 579 Cb -0.19 -1.56 0.01 0.00 0.52 0.00 0.00 34.95 33.73 2wb1 s ARG 579 CO 0.20 0.33 -0.12 0.50 0.02 0.00 0.00 175.30 176.23 2wb1 s ARG 580 N -2.71 1.47 0.16 3.54 3.52 -1.12 -1.13 118.95 122.67 2wb1 s ARG 580 Ca 0.18 -0.41 -0.27 0.00 -0.13 0.00 0.00 55.73 55.10 2wb1 s ARG 580 Cb -0.07 -1.27 -0.08 0.00 -1.56 0.00 0.00 34.95 31.98 2wb1 s ARG 580 CO 0.08 0.10 0.83 -1.25 -0.81 0.00 0.00 175.30 174.24 2wb1 s PRO 581 N 0.40 4.63 0.18 5.12 0.04 -1.26 -1.06 135.00 143.05 2wb1 s PRO 581 Ca -0.09 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.24 2wb1 s PRO 581 Cb -0.13 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 2wb1 s PRO 581 CO 0.02 0.49 -0.08 -0.51 0.04 0.00 0.00 177.00 176.96 2wb1 s LEU 582 N -0.89 2.43 -0.11 -3.56 1.43 -1.18 -4.65 118.68 112.16 2wb1 s LEU 582 Ca 0.38 -1.07 -0.25 0.00 -1.03 0.00 0.00 54.13 52.16 2wb1 s LEU 582 Cb -0.23 -0.35 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 2wb1 s LEU 582 CO 0.27 -0.37 0.79 -0.63 0.23 0.00 0.00 176.35 176.64 2wb1 s ILE 583 N -3.32 4.95 -0.01 -0.59 -1.09 -0.73 -1.82 121.20 118.59 2wb1 s ILE 583 Ca 0.21 1.58 -0.30 0.00 -2.23 0.00 0.00 60.65 59.91 2wb1 s ILE 583 Cb 0.03 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 2wb1 s ILE 583 CO 0.03 0.14 1.25 -0.63 -1.23 0.00 0.00 174.94 174.51 2wb1 s ILE 584 N 1.45 4.05 -0.24 2.92 1.01 0.30 -1.32 121.20 129.39 2wb1 s ILE 584 Ca 0.39 1.42 -0.02 0.00 0.00 0.00 0.00 60.65 62.44 2wb1 s ILE 584 Cb -0.18 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.40 2wb1 s ILE 584 CO 0.16 0.03 -0.06 -0.69 0.00 0.00 0.00 174.94 174.38 2wb1 s VAL 585 N 1.95 2.98 -0.19 2.92 1.01 0.57 -4.68 120.40 124.96 2wb1 s VAL 585 Ca 0.59 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 2wb1 s VAL 585 Cb -0.28 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2wb1 s VAL 585 CO 0.25 0.29 -0.01 -0.94 0.00 0.00 0.00 175.10 174.69 2wb1 s SER 586 N 1.37 4.84 0.13 3.32 1.04 -1.26 -4.52 113.70 118.62 2wb1 s SER 586 Ca 0.02 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2wb1 s SER 586 Cb -0.16 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.15 2wb1 s SER 586 CO -0.05 0.09 0.00 0.59 0.98 0.00 0.00 173.24 174.85 2wb1 n ASN 587 N 4.06 0.00 -2.82 7.02 4.13 -1.26 -3.49 115.26 122.90 2wb1 n ASN 587 Ca -0.17 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 55.98 2wb1 n ASN 587 Cb 0.52 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.80 2wb1 n ASN 587 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wb1 n GLY 588 N 0.00 0.73 3.16 7.41 0.00 -1.26 -4.39 105.19 110.84 2wb1 n GLY 588 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 2wb1 n GLY 588 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 589 N -1.56 -0.12 0.00 1.61 0.01 -1.23 -4.97 114.94 108.68 2wb1 s ASN 589 Ca 0.30 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 2wb1 s ASN 589 Cb 0.25 0.32 0.00 0.00 0.41 0.00 0.00 41.25 42.23 2wb1 s ASN 589 CO -0.17 -0.32 0.00 -0.81 -1.51 0.00 0.00 177.10 174.29 2wb1 n PRO 590 N 1.77 0.00 -0.94 -0.60 -0.04 -1.26 -4.07 135.00 129.86 2wb1 n PRO 590 Ca -0.20 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.22 2wb1 n PRO 590 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 2wb1 n PRO 590 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2wb1 n LEU 591 N 0.00 -0.56 -0.17 1.53 -0.00 -1.26 -4.95 117.00 111.58 2wb1 n LEU 591 Ca 0.00 -1.77 0.02 0.00 -0.00 0.00 0.00 56.01 54.26 2wb1 n LEU 591 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.48 2wb1 n LEU 591 CO 0.00 1.26 0.30 0.52 -0.00 0.00 0.00 177.39 179.47 2wb1 n VAL 592 N 0.05 -0.20 0.31 1.47 0.31 -1.26 -0.01 118.33 119.00 2wb1 n VAL 592 Ca -0.18 1.07 0.16 0.00 -0.01 0.00 0.00 64.34 65.38 2wb1 n VAL 592 Cb 0.71 -1.47 0.63 0.00 -0.91 0.00 0.00 33.84 32.79 2wb1 n VAL 592 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 h THR 593 N 0.00 0.00 0.24 2.52 1.03 -2.04 -3.26 112.91 111.41 2wb1 h THR 593 Ca 0.21 -0.44 -0.33 0.00 -0.01 0.00 0.00 66.41 65.84 2wb1 h THR 593 Cb 0.33 1.37 0.04 0.00 -1.07 0.00 0.00 68.15 68.82 2wb1 h THR 593 CO -0.48 0.00 -1.43 0.03 -0.01 0.00 0.00 175.52 173.63 2wb1 h ARG 594 N 0.00 0.54 -5.02 0.00 3.08 -0.88 -3.32 114.38 108.78 2wb1 h ARG 594 Ca 0.00 -0.91 -0.57 0.00 0.07 0.00 0.00 59.98 58.57 2wb1 h ARG 594 Cb 0.48 0.34 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2wb1 h ARG 594 CO 0.00 1.43 2.05 -1.91 -1.07 0.00 0.00 179.97 180.47 2wb1 n GLU 595 N -3.75 2.17 0.04 0.04 0.00 -1.23 -3.60 120.64 114.31 2wb1 n GLU 595 Ca -0.17 -2.51 0.00 0.00 0.00 0.00 0.00 57.16 54.49 2wb1 n GLU 595 Cb 1.08 -3.37 0.00 0.00 0.00 0.00 0.00 31.44 29.15 2wb1 n GLU 595 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2wb1 n ASP 596 N 9.61 -0.03 -2.79 4.31 9.92 -1.25 -4.94 116.55 131.38 2wb1 n ASP 596 Ca 0.48 0.14 -0.22 0.00 -0.53 0.00 0.00 54.79 54.66 2wb1 n ASP 596 Cb 0.43 0.11 -0.07 0.00 -0.64 0.00 0.00 41.12 40.95 2wb1 n ASP 596 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2wb1 n ILE 597 N -2.80 2.92 0.00 0.53 -0.00 -1.24 -4.68 119.36 114.09 2wb1 n ILE 597 Ca 0.00 -1.65 0.00 0.00 -0.00 0.00 0.00 62.75 61.10 2wb1 n ILE 597 Cb 0.02 -2.17 0.00 0.00 -0.00 0.00 0.00 39.64 37.49 2wb1 n ILE 597 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2wb1 n GLU 598 N 3.39 0.05 0.00 6.28 4.71 -1.26 -0.62 120.64 133.19 2wb1 n GLU 598 Ca 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.65 2wb1 n GLU 598 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.82 2wb1 n GLU 598 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wb1 n LYS 599 N 0.00 0.00 -3.80 3.49 4.01 -1.26 -2.48 118.16 118.12 2wb1 n LYS 599 Ca 0.00 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.43 2wb1 n LYS 599 Cb 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.39 2wb1 n LYS 599 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2wb1 s LEU 600 N 0.00 3.97 0.00 -0.35 2.01 -1.26 -4.57 118.68 118.47 2wb1 s LEU 600 Ca 0.00 -0.97 0.00 0.00 0.01 0.00 0.00 54.13 53.17 2wb1 s LEU 600 Cb 0.00 -1.83 0.00 0.00 0.01 0.00 0.00 46.19 44.37 2wb1 s LEU 600 CO 0.00 -0.25 0.00 0.47 1.01 0.00 0.00 176.35 177.58 2wb1 n ASP 601 N 4.79 -0.10 -4.63 2.29 8.00 -1.26 -5.06 116.55 120.58 2wb1 n ASP 601 Ca -0.14 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.94 2wb1 n ASP 601 Cb 0.46 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 2wb1 n ASP 601 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wb1 s SER 602 N -2.05 6.08 0.00 -2.24 1.04 -1.04 -4.63 113.70 110.87 2wb1 s SER 602 Ca 0.00 2.21 0.00 0.00 0.48 0.00 0.00 55.95 58.64 2wb1 s SER 602 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2wb1 s SER 602 CO 0.00 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.42 2wb1 n GLY 603 N 4.99 -0.74 2.60 7.32 0.00 0.21 -4.60 105.19 114.98 2wb1 n GLY 603 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2wb1 n GLY 603 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wb1 n SER 604 N 0.00 7.16 0.00 1.61 3.41 -1.25 -4.89 113.62 119.66 2wb1 n SER 604 Ca 0.00 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 2wb1 n SER 604 Cb 0.00 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.56 2wb1 n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wb1 n ILE 605 N 2.16 0.00 -2.23 -1.33 3.06 -1.25 -4.91 119.36 114.86 2wb1 n ILE 605 Ca 0.55 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.80 2wb1 n ILE 605 Cb 0.28 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.46 2wb1 n ILE 605 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2wb1 n THR 606 N 0.00-13.74 -0.21 9.51 -1.04 -1.26 -4.45 114.28 103.09 2wb1 n THR 606 Ca 0.00 3.36 0.01 0.00 -2.04 0.00 0.00 64.05 65.38 2wb1 n THR 606 Cb 0.00 -5.91 0.11 0.00 -1.82 0.00 0.00 70.33 62.71 2wb1 n THR 606 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2wb1 h PHE 607 N 4.35 -0.02 -0.35 -1.42 3.57 -1.92 0.09 116.94 121.24 2wb1 h PHE 607 Ca 0.00 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.65 2wb1 h PHE 607 Cb 0.00 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2wb1 h PHE 607 CO 0.00 -0.16 0.25 -0.44 -2.23 0.00 0.00 178.31 175.73 2wb1 h ASP 608 N 0.13 0.00 0.54 0.41 3.32 -1.88 0.19 116.42 119.12 2wb1 h ASP 608 Ca 0.33 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 2wb1 h ASP 608 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2wb1 h ASP 608 CO -0.53 0.00 -0.39 0.44 -1.72 0.00 0.00 179.24 177.04 2wb1 h ASP 609 N 0.00 0.00 1.00 6.45 5.19 -1.19 0.26 116.42 128.13 2wb1 h ASP 609 Ca 0.16 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.43 2wb1 h ASP 609 Cb 0.66 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2wb1 h ASP 609 CO -0.00 0.39 -0.67 0.25 -3.12 0.00 0.00 179.24 176.08 2wb1 h LEU 610 N 0.00 0.00 -0.04 1.55 6.46 -0.90 -2.28 115.31 120.09 2wb1 h LEU 610 Ca -0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 2wb1 h LEU 610 Cb 0.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2wb1 h LEU 610 CO 0.05 0.67 -0.10 0.58 -0.62 0.00 0.00 178.44 179.02 2wb1 h VAL 611 N 0.00 1.44 0.13 1.05 2.07 -1.09 -2.86 116.25 116.99 2wb1 h VAL 611 Ca -0.01 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.09 2wb1 h VAL 611 Cb 1.35 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 33.36 2wb1 h VAL 611 CO 0.09 0.39 -0.52 0.03 0.02 0.00 0.00 177.57 177.58 2wb1 h ARG 612 N -0.38 -0.71 -0.96 1.57 3.08 -0.47 -1.69 114.38 114.82 2wb1 h ARG 612 Ca 0.00 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.21 2wb1 h ARG 612 Cb 0.69 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 30.77 2wb1 h ARG 612 CO 0.02 -0.48 -0.48 0.94 -1.07 0.00 0.00 179.97 178.90 2wb1 n GLN 613 N -5.39 -0.33 0.00 0.04 -0.06 -0.86 -4.73 117.38 106.05 2wb1 n GLN 613 Ca -0.08 1.46 0.00 0.00 -2.00 0.00 0.00 57.00 56.37 2wb1 n GLN 613 Cb 0.40 -2.15 0.00 0.00 -4.06 0.00 0.00 30.24 24.43 2wb1 n GLN 613 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wb1 n GLY 614 N -1.33 1.06 0.01 1.69 0.00 -0.63 -4.64 105.19 101.35 2wb1 n GLY 614 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2wb1 n GLY 614 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 615 N -0.00 5.38 -4.88 1.61 4.76 -1.10 -4.90 118.16 119.03 2wb1 n LYS 615 Ca 0.00 -0.09 -0.29 0.00 -2.87 0.00 0.00 58.31 55.06 2wb1 n LYS 615 Cb 0.00 -0.66 -0.15 0.00 -1.84 0.00 0.00 35.03 32.39 2wb1 n LYS 615 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wb1 s ILE 616 N -1.05 2.02 -0.28 -0.18 1.01 -1.11 -0.53 121.20 121.07 2wb1 s ILE 616 Ca 0.01 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.35 2wb1 s ILE 616 Cb 0.02 -1.72 0.17 0.00 0.01 0.00 0.00 42.46 40.93 2wb1 s ILE 616 CO 0.07 0.35 0.48 -0.70 0.00 0.00 0.00 174.94 175.14 2wb1 s GLU 617 N -1.16 0.46 0.51 2.79 2.12 -0.76 -4.39 118.70 118.27 2wb1 s GLU 617 Ca 0.11 0.57 -0.23 0.00 0.36 0.00 0.00 54.97 55.77 2wb1 s GLU 617 Cb -0.10 -0.05 -0.06 0.00 0.26 0.00 0.00 34.13 34.18 2wb1 s GLU 617 CO 0.02 -0.79 1.35 0.71 -0.54 0.00 0.00 175.26 176.01 2wb1 s TYR 618 N 2.67 2.42 -0.06 5.30 1.51 -1.26 -3.08 117.35 124.84 2wb1 s TYR 618 Ca 0.14 1.37 0.00 0.00 -1.01 0.00 0.00 57.07 57.57 2wb1 s TYR 618 Cb -0.14 -3.78 0.02 0.00 -0.11 0.00 0.00 41.96 37.96 2wb1 s TYR 618 CO -0.22 -2.72 -0.04 -0.51 -1.11 0.00 0.00 175.55 170.95 2wb1 s LEU 619 N -3.22 1.13 0.63 -1.29 1.43 -0.22 -4.93 118.68 112.21 2wb1 s LEU 619 Ca 0.67 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.48 2wb1 s LEU 619 Cb -0.40 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 2wb1 s LEU 619 CO 0.48 -0.09 1.08 -0.62 0.23 0.00 0.00 176.35 177.43 2wb1 s ASP 620 N 1.27 5.44 0.00 2.29 3.68 -1.26 -2.80 116.67 125.29 2wb1 s ASP 620 Ca -0.05 1.89 0.07 0.00 2.13 0.00 0.00 52.55 56.58 2wb1 s ASP 620 Cb -0.14 -2.54 0.29 0.00 -1.45 0.00 0.00 42.92 39.09 2wb1 s ASP 620 CO -0.02 -1.40 1.19 0.00 0.13 0.00 0.00 175.17 175.07 2wb1 n ALA 621 N -2.28 1.33 0.13 3.66 0.00 -1.26 -1.57 120.51 120.52 2wb1 n ALA 621 Ca 0.09 -0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 2wb1 n ALA 621 Cb 0.52 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 2wb1 n ALA 621 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wb1 h GLU 622 N 0.00 0.49 0.15 0.00 4.57 -1.92 -3.31 114.58 114.55 2wb1 h GLU 622 Ca 0.00 -0.83 -0.28 0.00 -1.18 0.00 0.00 59.36 57.06 2wb1 h GLU 622 Cb 0.10 0.31 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2wb1 h GLU 622 CO 0.00 1.40 -1.27 1.49 -1.18 0.00 0.00 179.01 179.44 2wb1 h GLU 623 N 0.13 0.31 -0.27 1.92 4.81 -1.56 -3.16 114.58 116.77 2wb1 h GLU 623 Ca -0.27 -0.53 0.08 0.00 -0.13 0.00 0.00 59.36 58.51 2wb1 h GLU 623 Cb 2.14 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 31.71 2wb1 h GLU 623 CO 0.25 1.25 0.32 1.49 -0.73 0.00 0.00 179.01 181.59 2wb1 h GLU 624 N 0.08 0.00 0.04 1.92 4.81 -1.43 -1.94 114.58 118.07 2wb1 h GLU 624 Ca -0.15 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2wb1 h GLU 624 Cb 2.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.35 2wb1 h GLU 624 CO 0.21 0.00 -0.27 1.49 -0.73 0.00 0.00 179.01 179.72 2wb1 h GLU 625 N 0.00 -0.36 -0.97 1.92 4.57 -1.63 -2.72 114.58 115.39 2wb1 h GLU 625 Ca 0.13 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.52 2wb1 h GLU 625 Cb 0.76 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.34 2wb1 h GLU 625 CO -0.00 -0.24 0.61 -0.91 -1.18 0.00 0.00 179.01 177.29 2wb1 h ASN 626 N -0.37 0.66 -3.90 1.04 4.21 -1.53 -3.43 115.58 112.25 2wb1 h ASN 626 Ca -0.00 0.07 -0.48 0.00 1.21 0.00 0.00 56.30 57.10 2wb1 h ASN 626 Cb 0.38 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.54 2wb1 h ASN 626 CO -0.16 0.25 0.40 0.00 -1.29 0.00 0.00 177.43 176.64 2wb1 s ALA 627 N -5.70 3.19 -0.29 -0.83 0.00 -1.03 -5.03 121.76 112.07 2wb1 s ALA 627 Ca -0.10 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.58 2wb1 s ALA 627 Cb 0.24 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 20.18 2wb1 s ALA 627 CO 0.80 -0.09 -0.05 -0.47 0.00 0.00 0.00 175.76 175.95 2wb1 s TYR 628 N -1.53 3.32 -0.14 0.00 5.04 -1.26 -4.97 117.35 117.81 2wb1 s TYR 628 Ca 0.53 -2.49 -0.08 0.00 -2.44 0.00 0.00 57.07 52.59 2wb1 s TYR 628 Cb -0.23 -2.23 -0.04 0.00 0.35 0.00 0.00 41.96 39.81 2wb1 s TYR 628 CO 0.29 -0.89 0.15 0.08 -1.34 0.00 0.00 175.55 173.84 2wb1 s VAL 629 N 1.07 5.47 -0.04 3.14 1.01 -1.26 -1.96 120.40 127.83 2wb1 s VAL 629 Ca -0.02 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 2wb1 s VAL 629 Cb -0.19 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2wb1 s VAL 629 CO -0.07 0.57 0.73 0.00 0.00 0.00 0.00 175.10 176.33 2wb1 s ALA 630 N -0.64 3.33 0.12 5.51 0.00 0.17 -4.94 121.76 125.32 2wb1 s ALA 630 Ca 0.13 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 2wb1 s ALA 630 Cb -0.12 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 2wb1 s ALA 630 CO 0.03 -0.07 1.43 -0.07 0.00 0.00 0.00 175.76 177.07 2wb1 h LEU 631 N 6.55 0.89 -7.09 0.00 3.38 -1.88 0.23 115.31 117.37 2wb1 h LEU 631 Ca -0.42 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.00 2wb1 h LEU 631 Cb 1.20 -0.25 -0.21 0.00 0.09 0.00 0.00 40.66 41.49 2wb1 h LEU 631 CO 0.74 1.19 0.06 -1.61 0.09 0.00 0.00 178.44 178.91 2wb1 s GLU 632 N -4.31 0.84 0.00 1.13 0.41 -1.26 -4.60 118.70 110.91 2wb1 s GLU 632 Ca -0.12 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 55.04 2wb1 s GLU 632 Cb 0.10 0.40 0.00 0.00 -1.78 0.00 0.00 34.13 32.85 2wb1 s GLU 632 CO 0.86 -0.17 0.54 -0.35 -0.49 0.00 0.00 175.26 175.65 2wb1 n PRO 633 N 2.04 0.00 0.00 0.39 -0.04 -1.26 -0.50 135.00 135.63 2wb1 n PRO 633 Ca -0.16 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 2wb1 n PRO 633 Cb 0.56 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 2wb1 n PRO 633 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wb1 h SER 634 N 0.00 0.78 -0.93 3.54 4.64 -2.01 -3.33 113.55 116.24 2wb1 h SER 634 Ca 0.00 -0.51 -0.62 0.00 -0.47 0.00 0.00 61.79 60.20 2wb1 h SER 634 Cb 0.58 -0.23 -0.36 0.00 -0.31 0.00 0.00 62.40 62.08 2wb1 h SER 634 CO 0.00 1.28 0.05 -0.90 -0.87 0.00 0.00 176.83 176.39 2wb1 n ASP 635 N -3.90 6.33 -0.88 4.97 5.68 0.35 -4.63 116.55 124.46 2wb1 n ASP 635 Ca -0.06 -3.77 0.12 0.00 -0.50 0.00 0.00 54.79 50.58 2wb1 n ASP 635 Cb 0.73 -0.67 0.24 0.00 -1.14 0.00 0.00 41.12 40.28 2wb1 n ASP 635 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2wb1 n LEU 636 N -0.80 2.70 -0.13 -2.12 7.94 -1.25 -4.75 117.00 118.59 2wb1 n LEU 636 Ca 0.53 -1.01 -0.05 0.00 -1.11 0.00 0.00 56.01 54.38 2wb1 n LEU 636 Cb 0.79 -0.08 0.02 0.00 0.53 0.00 0.00 43.42 44.68 2wb1 n LEU 636 CO 0.59 0.50 0.76 0.74 -1.11 0.00 0.00 177.39 178.88 2wb1 h THR 637 N 3.93 0.52 0.00 1.96 2.02 -1.88 -3.41 112.91 116.05 2wb1 h THR 637 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wb1 h THR 637 Cb 0.85 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2wb1 h THR 637 CO 0.00 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.08 2wb1 n PRO 638 N -5.34 2.92 -2.70 6.66 -0.04 -1.26 -4.74 135.00 130.49 2wb1 n PRO 638 Ca 0.03 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.08 2wb1 n PRO 638 Cb 0.25 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.73 2wb1 n PRO 638 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wb1 n GLU 639 N 0.00 5.28 -2.26 0.54 4.71 -1.26 -4.61 120.64 123.04 2wb1 n GLU 639 Ca 0.00 -4.65 -0.42 0.00 -0.01 0.00 0.00 57.16 52.08 2wb1 n GLU 639 Cb 0.00 -2.47 -0.03 0.00 -1.01 0.00 0.00 31.44 27.93 2wb1 n GLU 639 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2wb1 s HIS 640 N -4.08 3.31 0.06 -0.32 3.76 -1.26 -4.85 115.29 111.91 2wb1 s HIS 640 Ca 0.38 1.12 -0.04 0.00 -0.15 0.00 0.00 55.06 56.37 2wb1 s HIS 640 Cb 0.17 -3.58 -0.28 0.00 1.11 0.00 0.00 32.58 30.00 2wb1 s HIS 640 CO -0.09 -1.92 1.09 1.15 -0.85 0.00 0.00 174.74 174.11 2wb1 h THR 641 N 4.21 1.43 -3.90 1.30 2.02 -1.63 -3.42 112.91 112.92 2wb1 h THR 641 Ca -0.43 -3.02 -0.28 0.00 0.77 0.00 0.00 66.41 63.45 2wb1 h THR 641 Cb 1.21 2.90 -0.20 0.00 -1.74 0.00 0.00 68.15 70.33 2wb1 h THR 641 CO 0.83 0.88 -0.73 -1.00 0.37 0.00 0.00 175.52 175.86 2wb1 s HIS 642 N -2.65 0.82 -0.11 3.16 3.76 -1.25 -0.32 115.29 118.71 2wb1 s HIS 642 Ca -0.05 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 54.29 2wb1 s HIS 642 Cb 0.07 -0.48 -0.00 0.00 1.11 0.00 0.00 32.58 33.28 2wb1 s HIS 642 CO 0.88 -0.07 -0.21 -1.17 -0.85 0.00 0.00 174.74 173.31 2wb1 s LEU 643 N -2.00 2.25 0.25 0.89 0.20 -0.43 0.46 118.68 120.30 2wb1 s LEU 643 Ca -0.03 -0.51 -0.30 0.00 0.69 0.00 0.00 54.13 53.98 2wb1 s LEU 643 Cb -0.06 -1.46 -0.10 0.00 -0.43 0.00 0.00 46.19 44.13 2wb1 s LEU 643 CO -0.00 0.15 1.50 -1.61 -0.29 0.00 0.00 176.35 176.09 2wb1 s GLU 644 N 0.41 4.22 -0.04 1.98 0.41 0.07 -1.77 118.70 123.97 2wb1 s GLU 644 Ca -0.16 2.38 -0.22 0.00 -0.41 0.00 0.00 54.97 56.57 2wb1 s GLU 644 Cb -0.17 -3.09 -0.16 0.00 -1.78 0.00 0.00 34.13 28.92 2wb1 s GLU 644 CO 0.07 -0.50 0.95 0.82 -0.49 0.00 0.00 175.26 176.10 2wb1 h ILE 645 N 3.57 0.87 -1.70 -1.63 2.04 -1.91 -3.45 117.51 115.30 2wb1 h ILE 645 Ca -0.46 -1.07 -0.12 0.00 1.00 0.00 0.00 64.86 64.21 2wb1 h ILE 645 Cb 1.22 1.42 -0.28 0.00 -0.74 0.00 0.00 36.82 38.44 2wb1 h ILE 645 CO 0.80 0.21 -0.46 0.86 0.00 0.00 0.00 178.15 179.56 2wb1 s TRP 646 N -3.63 -1.01 0.25 1.37 -0.00 -1.26 -4.79 118.94 109.88 2wb1 s TRP 646 Ca -0.13 0.82 -0.02 0.00 -0.00 0.00 0.00 56.10 56.77 2wb1 s TRP 646 Cb 0.01 0.06 0.51 0.00 -0.00 0.00 0.00 33.47 34.04 2wb1 s TRP 646 CO 0.50 -0.82 1.73 0.77 -0.00 0.00 0.00 176.95 179.13 2wb1 h SER 647 N 8.15 0.35 0.00 5.86 0.02 -1.88 -0.29 113.55 125.76 2wb1 h SER 647 Ca -0.17 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2wb1 h SER 647 Cb 1.15 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2wb1 h SER 647 CO 0.27 0.12 0.00 -2.65 -1.14 0.00 0.00 176.83 173.43 2wb1 n PRO 648 N -4.97 0.59 -0.06 3.45 -0.02 -1.26 -0.81 135.00 131.92 2wb1 n PRO 648 Ca 0.16 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 2wb1 n PRO 648 Cb 0.45 -1.09 0.40 0.00 -0.02 0.00 0.00 33.50 33.24 2wb1 n PRO 648 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wb1 n ALA 649 N -0.29 2.53 -0.04 3.55 0.00 -0.12 -3.83 120.51 122.31 2wb1 n ALA 649 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.90 2wb1 n ALA 649 Cb 0.04 -1.08 0.28 0.00 0.00 0.00 0.00 19.45 18.69 2wb1 n ALA 649 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wb1 h ILE 650 N 2.57 1.20 -4.46 0.00 1.08 -1.15 -3.31 117.51 113.44 2wb1 h ILE 650 Ca 0.00 -0.72 -0.47 0.00 -0.39 0.00 0.00 64.86 63.28 2wb1 h ILE 650 Cb 0.56 0.80 0.10 0.00 -3.07 0.00 0.00 36.82 35.21 2wb1 h ILE 650 CO 0.00 0.26 0.39 -0.76 -0.69 0.00 0.00 178.15 177.35 2wb1 s LEU 651 N -9.20 2.55 0.51 1.44 1.43 -1.25 -4.37 118.68 109.79 2wb1 s LEU 651 Ca -0.08 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 53.78 2wb1 s LEU 651 Cb 0.16 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 43.26 2wb1 s LEU 651 CO 0.77 -1.97 0.50 -0.83 0.23 0.00 0.00 176.35 175.05 2wb1 s GLY 652 N -4.61 2.12 0.08 -3.19 0.00 -1.26 -0.65 107.32 99.81 2wb1 s GLY 652 Ca 0.63 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 43.51 2wb1 s GLY 652 CO 0.49 -1.78 0.96 1.39 0.00 0.00 0.00 173.10 174.15 2wb1 n ILE 653 N -1.82 -0.33 0.24 0.90 -0.00 -1.26 -1.61 119.36 115.48 2wb1 n ILE 653 Ca 0.05 1.49 -0.14 0.00 -0.00 0.00 0.00 62.75 64.14 2wb1 n ILE 653 Cb 0.63 -1.87 -0.08 0.00 -0.00 0.00 0.00 39.64 38.32 2wb1 n ILE 653 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 2wb1 h THR 654 N 0.00 0.42 -0.06 1.39 2.02 -1.94 -2.73 112.91 112.01 2wb1 h THR 654 Ca 0.08 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.82 2wb1 h THR 654 Cb 0.20 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2wb1 h THR 654 CO -0.45 0.06 0.57 0.00 0.37 0.00 0.00 175.52 176.08 2wb1 h ALA 655 N -0.59 1.64 0.00 6.16 0.00 -1.80 0.20 119.26 124.85 2wb1 h ALA 655 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wb1 h ALA 655 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2wb1 h ALA 655 CO 0.11 -0.60 0.00 0.43 0.00 0.00 0.00 179.25 179.18 2wb1 n SER 656 N -2.83 0.00 0.13 0.00 7.64 -0.63 -3.07 113.62 114.86 2wb1 n SER 656 Ca -0.00 -0.36 0.13 0.00 1.01 0.00 0.00 58.87 59.65 2wb1 n SER 656 Cb 0.62 -0.20 0.31 0.00 -1.01 0.00 0.00 64.21 63.92 2wb1 n SER 656 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2wb1 h ILE 657 N 0.00 0.00 -3.19 0.44 5.03 -0.74 -3.41 117.51 115.64 2wb1 h ILE 657 Ca 0.00 -0.64 -0.57 0.00 -0.12 0.00 0.00 64.86 63.53 2wb1 h ILE 657 Cb 0.20 1.59 -0.05 0.00 -3.03 0.00 0.00 36.82 35.53 2wb1 h ILE 657 CO 0.00 0.00 0.65 -0.63 -0.68 0.00 0.00 178.15 177.49 2wb1 s ILE 658 N -3.15 4.75 0.34 -0.67 1.01 -1.18 -4.78 121.20 117.53 2wb1 s ILE 658 Ca 0.09 2.01 -0.25 0.00 0.00 0.00 0.00 60.65 62.50 2wb1 s ILE 658 Cb 0.10 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 2wb1 s ILE 658 CO 0.63 -0.07 0.95 -2.16 0.00 0.00 0.00 174.94 174.30 2wb1 s PRO 659 N 2.50 4.52 -0.98 2.79 0.04 -1.26 -3.96 135.00 138.65 2wb1 s PRO 659 Ca 0.46 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.59 2wb1 s PRO 659 Cb -0.17 -2.72 0.03 0.00 0.04 0.00 0.00 34.50 31.69 2wb1 s PRO 659 CO 0.13 0.22 0.42 0.66 0.04 0.00 0.00 177.00 178.47 2wb1 n TYR 660 N 0.39 -1.02 0.02 0.56 4.02 -1.07 -4.81 117.16 115.25 2wb1 n TYR 660 Ca 0.03 0.12 -0.02 0.00 -0.01 0.00 0.00 57.90 58.02 2wb1 n TYR 660 Cb 0.50 -2.11 0.26 0.00 -0.02 0.00 0.00 39.34 37.97 2wb1 n TYR 660 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2wb1 h PRO 661 N -1.28 0.47 -2.01 -0.72 0.11 -1.80 -3.13 132.00 123.63 2wb1 h PRO 661 Ca -0.54 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 65.41 2wb1 h PRO 661 Cb 1.08 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2wb1 h PRO 661 CO 0.43 0.61 -0.04 -0.85 -0.21 0.00 0.00 178.00 177.93 2wb1 n GLU 662 N -4.19 1.03 0.00 1.05 -0.00 -1.26 -2.09 120.64 115.17 2wb1 n GLU 662 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 57.16 57.04 2wb1 n GLU 662 Cb 0.33 -1.17 0.00 0.00 -0.00 0.00 0.00 31.44 30.61 2wb1 n GLU 662 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2wb1 n HIS 663 N 1.68 0.00 -3.99 -1.84 8.25 -1.18 -5.03 115.22 113.10 2wb1 n HIS 663 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.25 2wb1 n HIS 663 Cb 0.50 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 2wb1 n HIS 663 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2wb1 s ASN 664 N 0.00 6.05 0.59 0.41 0.01 -0.89 -3.66 114.94 117.44 2wb1 s ASN 664 Ca 0.00 0.06 -0.19 0.00 -0.71 0.00 0.00 52.86 52.03 2wb1 s ASN 664 Cb 0.00 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.88 2wb1 s ASN 664 CO 0.00 0.06 1.18 -1.58 -1.51 0.00 0.00 177.10 175.25 2wb1 s GLN 665 N -3.20 3.04 0.13 -0.60 0.74 -1.13 -4.90 119.66 113.74 2wb1 s GLN 665 Ca 0.33 1.74 -0.24 0.00 0.05 0.00 0.00 55.36 57.25 2wb1 s GLN 665 Cb -0.11 -1.95 -0.04 0.00 1.10 0.00 0.00 33.01 32.02 2wb1 s GLN 665 CO 0.27 -1.13 1.65 1.03 -0.55 0.00 0.00 175.29 176.56 2wb1 h SER 666 N 0.88 -0.59 -0.67 6.67 0.87 -1.94 -2.33 113.55 116.44 2wb1 h SER 666 Ca -0.50 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 2wb1 h SER 666 Cb 1.29 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.47 2wb1 h SER 666 CO 0.55 -0.25 0.35 1.55 -0.53 0.00 0.00 176.83 178.50 2wb1 h PRO 667 N -0.28 0.95 -0.83 2.24 0.13 -1.98 -2.68 132.00 129.54 2wb1 h PRO 667 Ca 0.08 -0.12 0.19 0.00 -0.87 0.00 0.00 66.00 65.27 2wb1 h PRO 667 Cb 0.39 -0.18 -0.06 0.00 0.13 0.00 0.00 31.00 31.29 2wb1 h PRO 667 CO -0.23 0.73 0.56 0.00 -0.23 0.00 0.00 178.00 178.83 2wb1 h ARG 668 N 0.92 0.34 0.00 0.86 2.47 -1.75 0.66 114.38 117.89 2wb1 h ARG 668 Ca 0.23 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.83 2wb1 h ARG 668 Cb 0.07 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 2wb1 h ARG 668 CO -0.03 0.23 -0.49 -0.91 0.56 0.00 0.00 179.97 179.32 2wb1 h ASN 669 N 0.35 0.00 0.11 7.04 2.35 -1.14 -2.67 115.58 121.62 2wb1 h ASN 669 Ca 0.42 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.90 2wb1 h ASN 669 Cb 1.10 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.50 2wb1 h ASN 669 CO -0.13 0.49 -1.11 0.74 -1.65 0.00 0.00 177.43 175.77 2wb1 h THR 670 N 0.00 1.33 -0.11 2.81 2.02 0.37 -1.11 112.91 118.22 2wb1 h THR 670 Ca -0.00 -2.41 0.04 0.00 0.77 0.00 0.00 66.41 64.80 2wb1 h THR 670 Cb 1.20 2.74 -0.05 0.00 -1.74 0.00 0.00 68.15 70.30 2wb1 h THR 670 CO 0.06 0.73 -0.21 1.88 0.37 0.00 0.00 175.52 178.35 2wb1 h TYR 671 N 0.15 -0.56 -0.49 3.16 -1.99 -0.79 -1.10 116.97 115.35 2wb1 h TYR 671 Ca -0.17 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.62 2wb1 h TYR 671 Cb 1.81 0.26 -0.03 0.00 2.00 0.00 0.00 36.73 40.77 2wb1 h TYR 671 CO 0.13 -0.29 0.33 0.37 -0.00 0.00 0.00 178.16 178.70 2wb1 h GLN 672 N -0.28 0.54 -0.65 4.88 5.75 -1.53 -2.02 115.11 121.81 2wb1 h GLN 672 Ca 0.09 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2wb1 h GLN 672 Cb 0.42 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 2wb1 h GLN 672 CO -0.27 0.36 0.22 0.77 -2.65 0.00 0.00 178.83 177.27 2wb1 h SER 673 N 0.56 0.92 -0.29 -0.69 0.02 0.02 -1.85 113.55 112.24 2wb1 h SER 673 Ca 0.20 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wb1 h SER 673 Cb 0.10 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.40 2wb1 h SER 673 CO -0.05 0.87 0.00 0.00 -1.14 0.00 0.00 176.83 176.51 2wb1 n ALA 674 N -2.40 2.61 -0.10 3.77 0.00 -0.69 -4.10 120.51 119.60 2wb1 n ALA 674 Ca 0.04 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.70 2wb1 n ALA 674 Cb 0.20 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 2wb1 n ALA 674 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2wb1 n MET 675 N 0.36 0.45 0.28 0.00 0.00 -0.76 -4.28 117.12 113.16 2wb1 n MET 675 Ca 0.10 0.16 0.13 0.00 0.00 0.00 0.00 57.70 58.10 2wb1 n MET 675 Cb 0.35 -1.28 0.84 0.00 0.00 0.00 0.00 33.22 33.14 2wb1 n MET 675 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2wb1 h ALA 676 N -0.46 1.66 0.00 -5.12 0.00 -1.54 0.17 119.26 113.98 2wb1 h ALA 676 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wb1 h ALA 676 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2wb1 h ALA 676 CO -0.22 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.65 2wb1 n LYS 677 N -4.03 0.12 0.00 0.00 5.02 -1.26 -2.81 118.16 115.21 2wb1 n LYS 677 Ca -0.03 0.19 0.03 0.00 -2.02 0.00 0.00 58.31 56.48 2wb1 n LYS 677 Cb 0.09 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 2wb1 n LYS 677 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wb1 n GLN 678 N -1.37 3.73 -1.47 1.97 6.02 0.60 -4.77 117.38 122.09 2wb1 n GLN 678 Ca 0.06 -0.21 -0.29 0.00 -0.01 0.00 0.00 57.00 56.54 2wb1 n GLN 678 Cb 0.14 -0.89 0.14 0.00 1.02 0.00 0.00 30.24 30.65 2wb1 n GLN 678 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wb1 s ALA 679 N -1.41 1.69 -0.02 -1.58 0.00 -1.11 -2.37 121.76 116.96 2wb1 s ALA 679 Ca 0.04 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.62 2wb1 s ALA 679 Cb 0.05 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 2wb1 s ALA 679 CO 0.23 -2.32 -0.23 -0.51 0.00 0.00 0.00 175.76 172.94 2wb1 s LEU 680 N -6.08 2.25 0.00 0.00 1.43 -1.02 -4.21 118.68 111.05 2wb1 s LEU 680 Ca 0.64 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2wb1 s LEU 680 Cb -0.15 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.67 2wb1 s LEU 680 CO 0.54 0.32 0.00 0.61 0.23 0.00 0.00 176.35 178.05 2wb1 n GLY 681 N 2.29 1.66 3.47 -3.19 0.00 -1.26 -3.83 105.19 104.35 2wb1 n GLY 681 Ca -0.16 0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2wb1 n GLY 681 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wb1 s LEU 682 N 0.00 3.14 -0.03 0.99 2.96 -1.25 -0.46 118.68 124.04 2wb1 s LEU 682 Ca 0.00 -0.17 0.15 0.00 -0.22 0.00 0.00 54.13 53.90 2wb1 s LEU 682 Cb 0.00 -1.75 -0.24 0.00 0.50 0.00 0.00 46.19 44.71 2wb1 s LEU 682 CO 0.00 0.17 0.33 0.00 -1.32 0.00 0.00 176.35 175.53 2wb1 n TYR 683 N 3.51 0.00 -3.65 5.38 0.18 -1.26 -3.40 117.16 117.91 2wb1 n TYR 683 Ca -0.18 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.61 2wb1 n TYR 683 Cb 0.53 -0.36 -0.06 0.00 -0.38 0.00 0.00 39.34 39.06 2wb1 n TYR 683 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2wb1 s ALA 684 N -3.05 -2.55 0.64 -3.48 0.00 -1.26 -4.25 121.76 107.82 2wb1 s ALA 684 Ca -0.06 2.02 0.38 0.00 0.00 0.00 0.00 51.96 54.31 2wb1 s ALA 684 Cb 0.10 -1.90 2.15 0.00 0.00 0.00 0.00 23.12 23.46 2wb1 s ALA 684 CO 0.64 -0.31 2.29 0.00 0.00 0.00 0.00 175.76 178.38 2wb1 h ALA 685 N 5.27 1.24 -0.26 0.00 0.00 -1.96 0.57 119.26 124.12 2wb1 h ALA 685 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2wb1 h ALA 685 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wb1 h ALA 685 CO 0.22 -0.04 0.00 0.27 0.00 0.00 0.00 179.25 179.70 2wb1 n ASN 686 N -3.36 2.40 -0.01 0.00 0.23 -1.26 -4.49 115.26 108.76 2wb1 n ASN 686 Ca -0.03 -1.84 0.19 0.00 -0.53 0.00 0.00 54.58 52.37 2wb1 n ASN 686 Cb 0.11 -0.17 0.33 0.00 -2.08 0.00 0.00 39.78 37.97 2wb1 n ASN 686 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2wb1 h TYR 687 N 3.12 0.00 0.20 -2.53 -0.00 -0.23 0.44 116.97 117.97 2wb1 h TYR 687 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 2wb1 h TYR 687 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.42 2wb1 h TYR 687 CO 0.17 0.00 -0.10 0.37 -0.00 0.00 0.00 178.16 178.60 2wb1 h GLN 688 N 0.00 -0.26 -0.00 0.10 5.75 -1.82 -3.03 115.11 115.85 2wb1 h GLN 688 Ca 0.31 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 2wb1 h GLN 688 Cb 2.48 0.06 0.00 0.00 1.07 0.00 0.00 27.48 31.10 2wb1 h GLN 688 CO -0.00 -0.09 -0.19 1.28 -2.65 0.00 0.00 178.83 177.18 2wb1 n LEU 689 N -5.16 0.19 -4.67 -2.39 4.32 0.15 -4.92 117.00 104.52 2wb1 n LEU 689 Ca -0.09 0.31 -0.30 0.00 -0.02 0.00 0.00 56.01 55.91 2wb1 n LEU 689 Cb 0.17 -0.40 0.16 0.00 -1.62 0.00 0.00 43.42 41.73 2wb1 n LEU 689 CO 0.34 0.05 0.65 -0.13 -1.22 0.00 0.00 177.39 177.07 2wb1 s ARG 690 N -2.99 0.94 -0.21 3.23 1.81 -0.95 -5.00 118.95 115.77 2wb1 s ARG 690 Ca 0.13 1.10 0.20 0.00 -1.72 0.00 0.00 55.73 55.44 2wb1 s ARG 690 Cb 0.18 -1.75 0.48 0.00 -0.45 0.00 0.00 34.95 33.41 2wb1 s ARG 690 CO 0.59 -2.54 1.14 -2.37 -0.68 0.00 0.00 175.30 171.44 2wb1 n THR 691 N -4.13 1.34 -2.09 0.02 5.66 -1.26 -5.02 114.28 108.80 2wb1 n THR 691 Ca 0.08 -2.84 -0.34 0.00 -3.05 0.00 0.00 64.05 57.90 2wb1 n THR 691 Cb 0.54 0.67 0.02 0.00 -1.55 0.00 0.00 70.33 70.01 2wb1 n THR 691 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2wb1 s ASP 692 N -3.39 5.53 0.08 1.09 -0.00 -1.26 -4.98 116.67 113.73 2wb1 s ASP 692 Ca 0.34 2.11 -0.35 0.00 -0.00 0.00 0.00 52.55 54.64 2wb1 s ASP 692 Cb 0.35 -2.57 -0.18 0.00 -0.00 0.00 0.00 42.92 40.53 2wb1 s ASP 692 CO -0.05 -1.35 1.54 0.74 -0.00 0.00 0.00 175.17 176.05 2wb1 h THR 693 N 0.79 0.00 -3.11 -1.27 2.02 -1.94 -3.41 112.91 105.99 2wb1 h THR 693 Ca -0.49 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.48 2wb1 h THR 693 Cb 1.26 0.00 -0.31 0.00 -1.74 0.00 0.00 68.15 67.36 2wb1 h THR 693 CO 0.56 0.00 -0.53 0.00 0.37 0.00 0.00 175.52 175.92 2wb1 s ARG 694 N -5.79 0.16 0.11 6.66 1.70 -1.24 -2.09 118.95 118.46 2wb1 s ARG 694 Ca -0.18 0.47 -0.14 0.00 -0.47 0.00 0.00 55.73 55.41 2wb1 s ARG 694 Cb 0.04 -0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.30 2wb1 s ARG 694 CO 0.58 -0.17 0.35 0.00 -1.08 0.00 0.00 175.30 174.98 2wb1 s ALA 695 N 1.25 -0.75 0.09 7.88 0.00 -1.10 -4.89 121.76 124.24 2wb1 s ALA 695 Ca -0.09 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 51.78 2wb1 s ALA 695 Cb -0.11 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 2wb1 s ALA 695 CO -0.08 -0.60 -0.21 -1.01 0.00 0.00 0.00 175.76 173.87 2wb1 s HIS 696 N -3.72 1.80 -0.16 0.00 3.76 -1.26 -1.24 115.29 114.46 2wb1 s HIS 696 Ca 0.03 -0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 54.49 2wb1 s HIS 696 Cb 0.02 -1.00 0.05 0.00 1.11 0.00 0.00 32.58 32.77 2wb1 s HIS 696 CO -0.11 0.19 0.05 -1.17 -0.85 0.00 0.00 174.74 172.85 2wb1 s LEU 697 N -1.81 0.77 -0.25 0.89 1.98 -1.12 -4.45 118.68 114.69 2wb1 s LEU 697 Ca 0.07 -0.59 -0.29 0.00 -2.89 0.00 0.00 54.13 50.43 2wb1 s LEU 697 Cb -0.10 -0.44 0.01 0.00 0.66 0.00 0.00 46.19 46.33 2wb1 s LEU 697 CO 0.04 -0.30 1.07 -0.22 -1.89 0.00 0.00 176.35 175.05 2wb1 s LEU 698 N 1.98 4.05 0.19 -0.68 2.96 0.40 -1.67 118.68 125.90 2wb1 s LEU 698 Ca 0.01 1.30 -0.12 0.00 -0.22 0.00 0.00 54.13 55.10 2wb1 s LEU 698 Cb -0.16 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.16 2wb1 s LEU 698 CO -0.08 -0.75 1.77 0.45 -1.32 0.00 0.00 176.35 176.42 2wb1 h HIS 699 N 7.74 0.41 -3.38 5.38 3.86 -0.58 -3.29 115.15 125.29 2wb1 h HIS 699 Ca -0.20 0.02 -0.63 0.00 -1.16 0.00 0.00 60.37 58.40 2wb1 h HIS 699 Cb 1.06 -0.11 -0.40 0.00 1.06 0.00 0.00 27.41 29.02 2wb1 h HIS 699 CO 0.78 0.17 -0.70 0.71 0.86 0.00 0.00 177.93 179.75 2wb1 s TYR 700 N -6.12 2.91 0.98 2.45 2.02 -1.26 -5.10 117.35 113.23 2wb1 s TYR 700 Ca -0.13 -2.73 -0.14 0.00 -0.37 0.00 0.00 57.07 53.71 2wb1 s TYR 700 Cb 0.14 -2.49 0.18 0.00 -0.40 0.00 0.00 41.96 39.39 2wb1 s TYR 700 CO 0.73 -0.85 1.14 -1.25 -1.57 0.00 0.00 175.55 173.76 2wb1 s PRO 701 N 0.58 0.58 -0.18 -1.71 0.04 -1.24 -4.76 135.00 128.31 2wb1 s PRO 701 Ca 0.14 0.21 -0.28 0.00 0.04 0.00 0.00 61.00 61.12 2wb1 s PRO 701 Cb -0.22 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.62 2wb1 s PRO 701 CO -0.07 -2.56 0.73 -0.65 0.04 0.00 0.00 177.00 174.49 2wb1 s GLN 702 N -5.29 0.90 0.76 4.56 -0.21 -0.97 -5.00 119.66 114.41 2wb1 s GLN 702 Ca 0.66 0.65 -0.13 0.00 0.02 0.00 0.00 55.36 56.57 2wb1 s GLN 702 Cb -0.14 0.43 0.05 0.00 1.00 0.00 0.00 33.01 34.36 2wb1 s GLN 702 CO 0.55 -0.19 1.13 0.50 -2.12 0.00 0.00 175.29 175.15 2wb1 s ARG 703 N -0.30 2.14 -0.25 2.91 3.52 -1.26 -4.50 118.95 121.21 2wb1 s ARG 703 Ca -0.04 1.42 -0.23 0.00 -0.13 0.00 0.00 55.73 56.75 2wb1 s ARG 703 Cb -0.03 -1.87 -0.01 0.00 -1.56 0.00 0.00 34.95 31.49 2wb1 s ARG 703 CO 0.04 -1.77 0.74 -1.25 -0.81 0.00 0.00 175.30 172.26 2wb1 s PRO 704 N -4.43 4.13 0.35 5.12 0.04 -1.26 -4.32 135.00 134.63 2wb1 s PRO 704 Ca 0.66 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.18 2wb1 s PRO 704 Cb -0.22 -3.66 -0.09 0.00 0.04 0.00 0.00 34.50 30.58 2wb1 s PRO 704 CO 0.50 -0.49 1.11 -0.51 0.04 0.00 0.00 177.00 177.65 2wb1 s LEU 705 N 2.71 4.31 -0.16 -3.56 1.43 -1.26 -4.30 118.68 117.86 2wb1 s LEU 705 Ca 0.31 2.22 -0.04 0.00 -1.03 0.00 0.00 54.13 55.59 2wb1 s LEU 705 Cb -0.15 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 42.16 2wb1 s LEU 705 CO 0.08 -0.41 0.08 0.52 0.23 0.00 0.00 176.35 176.85 2wb1 n VAL 706 N 0.45 -9.04 -4.10 -1.59 0.31 0.56 -4.72 118.33 100.20 2wb1 n VAL 706 Ca 0.02 1.52 -0.05 0.00 -0.01 0.00 0.00 64.34 65.83 2wb1 n VAL 706 Cb 0.47 -5.71 -0.01 0.00 -0.91 0.00 0.00 33.84 27.67 2wb1 n VAL 706 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 n GLN 707 N 0.79 1.02 -4.50 5.55 10.64 0.04 -4.86 117.38 126.06 2wb1 n GLN 707 Ca -0.14 -0.62 -0.23 0.00 -1.83 0.00 0.00 57.00 54.17 2wb1 n GLN 707 Cb 0.22 0.31 -0.14 0.00 -0.86 0.00 0.00 30.24 29.77 2wb1 n GLN 707 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2wb1 s THR 708 N -1.73 1.47 0.31 -0.39 2.01 -1.26 0.25 115.64 116.30 2wb1 s THR 708 Ca 0.03 -1.16 0.05 0.00 0.31 0.00 0.00 61.69 60.92 2wb1 s THR 708 Cb 0.00 -1.30 0.30 0.00 0.01 0.00 0.00 72.50 71.51 2wb1 s THR 708 CO 0.02 0.11 1.84 0.03 -0.69 0.00 0.00 174.62 175.93 2wb1 h ARG 709 N 4.81 0.82 0.00 4.92 3.08 -1.93 0.28 114.38 126.36 2wb1 h ARG 709 Ca -0.41 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.55 2wb1 h ARG 709 Cb 1.17 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2wb1 h ARG 709 CO 0.43 0.54 -0.17 0.00 -1.07 0.00 0.00 179.97 179.71 2wb1 h ALA 710 N 1.58 1.09 -0.90 0.04 0.00 -1.97 -3.24 119.26 115.86 2wb1 h ALA 710 Ca 0.49 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.47 2wb1 h ALA 710 Cb 0.65 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.28 2wb1 h ALA 710 CO -0.26 0.21 0.39 1.25 0.00 0.00 0.00 179.25 180.84 2wb1 h LEU 711 N 0.00 0.32 -0.01 0.00 7.12 -1.17 -1.95 115.31 119.61 2wb1 h LEU 711 Ca -0.00 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 2wb1 h LEU 711 Cb 0.60 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.87 2wb1 h LEU 711 CO 0.02 -0.01 -0.00 -0.78 -0.13 0.00 0.00 178.44 177.54 2wb1 h ASP 712 N 0.39 0.02 -0.57 1.25 3.58 -1.70 -2.99 116.42 116.40 2wb1 h ASP 712 Ca 0.56 -0.36 -0.07 0.00 0.42 0.00 0.00 57.03 57.59 2wb1 h ASP 712 Cb 1.08 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 2wb1 h ASP 712 CO -0.54 0.37 0.12 0.40 -2.88 0.00 0.00 179.24 176.71 2wb1 h ILE 713 N -0.34 1.25 -0.72 2.25 1.08 -1.64 -2.71 117.51 116.68 2wb1 h ILE 713 Ca 0.00 -0.94 0.04 0.00 -0.39 0.00 0.00 64.86 63.58 2wb1 h ILE 713 Cb 0.36 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 2wb1 h ILE 713 CO 0.00 0.35 0.47 0.40 -0.69 0.00 0.00 178.15 178.68 2wb1 h ILE 714 N 0.92 1.08 0.00 -0.67 2.04 -1.39 -3.47 117.51 116.02 2wb1 h ILE 714 Ca 0.19 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2wb1 h ILE 714 Cb 0.37 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2wb1 h ILE 714 CO 0.01 0.15 0.00 0.61 0.00 0.00 0.00 178.15 178.92 2wb1 n GLY 715 N -1.44 0.62 0.18 5.37 0.00 -1.02 -4.99 105.19 103.91 2wb1 n GLY 715 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 2wb1 n GLY 715 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wb1 h TYR 716 N 0.00 0.41 0.00 1.61 3.20 -1.78 -2.39 116.97 118.02 2wb1 h TYR 716 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2wb1 h TYR 716 Cb 0.00 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.15 2wb1 h TYR 716 CO 0.00 0.21 0.20 1.15 -1.64 0.00 0.00 178.16 178.08 2wb1 h THR 717 N 0.44 0.00 0.00 1.81 2.02 -1.86 0.19 112.91 115.51 2wb1 h THR 717 Ca 0.18 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 67.06 2wb1 h THR 717 Cb 0.08 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 2wb1 h THR 717 CO -0.12 0.00 -2.13 0.59 0.37 0.00 0.00 175.52 174.23 2wb1 n ASN 718 N -2.89 0.25 -3.51 4.18 3.02 -0.93 -4.80 115.26 110.59 2wb1 n ASN 718 Ca -0.02 0.12 -0.28 0.00 -0.03 0.00 0.00 54.58 54.36 2wb1 n ASN 718 Cb 0.25 0.80 -0.11 0.00 -0.61 0.00 0.00 39.78 40.11 2wb1 n ASN 718 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2wb1 s ARG 719 N -2.64 0.95 0.00 3.52 0.52 0.63 -5.07 118.95 116.86 2wb1 s ARG 719 Ca -0.08 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.23 2wb1 s ARG 719 Cb 0.07 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.88 2wb1 s ARG 719 CO 0.83 -1.28 0.00 -0.35 0.02 0.00 0.00 175.30 174.53 2wb1 n PRO 720 N 3.34 1.03 -0.63 3.54 -0.04 -1.03 -4.53 135.00 136.68 2wb1 n PRO 720 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2wb1 n PRO 720 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 2wb1 n PRO 720 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wb1 n ALA 721 N -3.00 2.09 0.00 0.55 0.00 -1.26 -3.87 120.51 115.01 2wb1 n ALA 721 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2wb1 n ALA 721 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2wb1 n ALA 721 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wb1 n GLY 722 N 0.06 -0.59 3.18 0.00 0.00 -1.25 -3.85 105.19 102.74 2wb1 n GLY 722 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 2wb1 n GLY 722 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 723 N -4.00 1.64 -0.65 1.61 -0.87 -0.49 -2.30 114.94 109.89 2wb1 s ASN 723 Ca 0.00 -0.72 -0.27 0.00 -1.57 0.00 0.00 52.86 50.30 2wb1 s ASN 723 Cb 0.00 -0.03 0.01 0.00 -0.02 0.00 0.00 41.25 41.20 2wb1 s ASN 723 CO 0.00 -0.16 1.54 0.20 -2.57 0.00 0.00 177.10 176.12 2wb1 s ASN 724 N -2.12 5.80 0.09 -1.22 0.01 -1.26 -0.50 114.94 115.74 2wb1 s ASN 724 Ca 0.02 0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.23 2wb1 s ASN 724 Cb -0.07 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 2wb1 s ASN 724 CO 0.02 -2.02 0.18 0.00 -1.51 0.00 0.00 177.10 173.77 2wb1 s ALA 725 N 7.14 3.85 -0.39 0.60 0.00 -0.52 -4.90 121.76 127.55 2wb1 s ALA 725 Ca 0.52 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 2wb1 s ALA 725 Cb -0.11 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.35 2wb1 s ALA 725 CO 0.20 0.74 1.15 0.42 0.00 0.00 0.00 175.76 178.27 2wb1 s ILE 726 N -1.53 4.30 -0.21 0.00 1.09 -1.26 -0.81 121.20 122.77 2wb1 s ILE 726 Ca 0.33 1.42 -0.05 0.00 -1.10 0.00 0.00 60.65 61.25 2wb1 s ILE 726 Cb -0.12 -4.44 -0.02 0.00 -1.06 0.00 0.00 42.46 36.81 2wb1 s ILE 726 CO 0.26 -0.71 0.01 -0.22 -0.10 0.00 0.00 174.94 174.18 2wb1 s LEU 727 N 4.19 3.26 -0.11 2.97 2.96 0.89 -0.87 118.68 131.98 2wb1 s LEU 727 Ca 0.49 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2wb1 s LEU 727 Cb -0.11 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2wb1 s LEU 727 CO 0.24 0.04 -0.08 0.00 -1.32 0.00 0.00 176.35 175.23 2wb1 s ALA 728 N 1.14 2.86 -1.16 5.97 0.00 -0.96 -2.16 121.76 127.45 2wb1 s ALA 728 Ca 0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2wb1 s ALA 728 Cb -0.14 -1.30 0.24 0.00 0.00 0.00 0.00 23.12 21.91 2wb1 s ALA 728 CO 0.02 0.37 1.26 0.28 0.00 0.00 0.00 175.76 177.69 2wb1 n VAL 729 N 2.99 4.47 -4.92 0.00 0.31 -1.10 -1.87 118.33 118.21 2wb1 n VAL 729 Ca -0.18 -5.14 -0.33 0.00 -0.01 0.00 0.00 64.34 58.69 2wb1 n VAL 729 Cb 0.53 -2.53 -0.14 0.00 -0.91 0.00 0.00 33.84 30.79 2wb1 n VAL 729 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wb1 s ILE 730 N -0.23 2.92 -0.98 2.52 1.01 -1.19 -4.51 121.20 120.74 2wb1 s ILE 730 Ca 0.36 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 60.04 2wb1 s ILE 730 Cb -0.07 -2.15 0.09 0.00 0.01 0.00 0.00 42.46 40.34 2wb1 s ILE 730 CO -0.04 0.58 1.31 -0.94 0.00 0.00 0.00 174.94 175.84 2wb1 s SER 731 N -0.47 6.56 0.22 3.58 1.04 -1.26 -4.50 113.70 118.87 2wb1 s SER 731 Ca 0.06 -1.73 0.05 0.00 0.48 0.00 0.00 55.95 54.81 2wb1 s SER 731 Cb -0.12 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 2wb1 s SER 731 CO 0.02 -1.30 -0.06 0.12 0.98 0.00 0.00 173.24 172.99 2wb1 s PHE 732 N 3.93 1.63 0.00 5.02 5.36 -1.26 -5.06 117.98 127.60 2wb1 s PHE 732 Ca 0.40 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 2wb1 s PHE 732 Cb -0.02 -0.89 0.00 0.00 -0.34 0.00 0.00 43.02 41.76 2wb1 s PHE 732 CO -0.10 0.13 0.00 -2.37 -1.46 0.00 0.00 175.22 171.43 2wb1 n THR 733 N -0.42 0.00 0.00 0.12 5.66 -1.26 -4.00 114.28 114.38 2wb1 n THR 733 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2wb1 n THR 733 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 2wb1 n THR 733 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wb1 n GLY 734 N 0.00 -0.99 0.00 1.09 0.00 -1.26 -4.95 105.19 99.08 2wb1 n GLY 734 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wb1 n GLY 734 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wb1 n TYR 735 N 0.00 0.00 -3.37 1.61 4.19 -1.26 -4.75 117.16 113.58 2wb1 n TYR 735 Ca 0.00 0.00 -0.45 0.00 3.31 0.00 0.00 57.90 60.76 2wb1 n TYR 735 Cb 0.00 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.79 2wb1 n TYR 735 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2wb1 s ASN 736 N -0.08 6.43 0.00 2.98 6.03 -1.26 -4.32 114.94 124.72 2wb1 s ASN 736 Ca 0.00 -2.44 0.00 0.00 -1.03 0.00 0.00 52.86 49.39 2wb1 s ASN 736 Cb 0.00 -2.17 0.00 0.00 -3.03 0.00 0.00 41.25 36.05 2wb1 s ASN 736 CO 0.00 -0.63 0.00 0.23 -2.03 0.00 0.00 177.10 174.67 2wb1 n MET 737 N 4.29 0.00 -2.21 3.55 2.81 -1.26 -4.48 117.12 119.82 2wb1 n MET 737 Ca 0.05 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.62 2wb1 n MET 737 Cb 0.44 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.91 2wb1 n MET 737 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2wb1 s GLU 738 N 0.00 2.89 0.00 0.03 0.41 -1.26 -3.73 118.70 117.04 2wb1 s GLU 738 Ca 0.00 -1.40 0.00 0.00 -0.41 0.00 0.00 54.97 53.16 2wb1 s GLU 738 Cb 0.00 -5.32 0.00 0.00 -1.78 0.00 0.00 34.13 27.03 2wb1 s GLU 738 CO 0.00 -3.53 0.00 -3.47 -0.49 0.00 0.00 175.26 167.77 2wb1 n ASP 739 N 12.79 -2.31 -4.70 -0.19 2.03 -1.26 -4.94 116.55 117.96 2wb1 n ASP 739 Ca 0.46 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.45 2wb1 n ASP 739 Cb 0.46 -1.90 0.14 0.00 -0.72 0.00 0.00 41.12 39.10 2wb1 n ASP 739 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2wb1 s SER 740 N -1.08 3.51 -0.05 1.67 0.15 -1.24 -3.87 113.70 112.78 2wb1 s SER 740 Ca 0.00 2.18 0.01 0.00 0.70 0.00 0.00 55.95 58.84 2wb1 s SER 740 Cb 0.00 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2wb1 s SER 740 CO 0.00 -2.72 -0.07 -0.51 1.20 0.00 0.00 173.24 171.15 2wb1 s ILE 741 N -2.51 0.71 -0.31 6.45 2.07 -0.52 -3.99 121.20 123.10 2wb1 s ILE 741 Ca 0.68 -0.22 -0.06 0.00 -1.41 0.00 0.00 60.65 59.63 2wb1 s ILE 741 Cb -0.24 -0.70 0.03 0.00 0.13 0.00 0.00 42.46 41.68 2wb1 s ILE 741 CO 0.54 0.26 0.08 -0.51 -1.91 0.00 0.00 174.94 173.40 2wb1 s ILE 742 N 0.86 3.77 0.20 2.00 -1.16 -1.18 -0.52 121.20 125.16 2wb1 s ILE 742 Ca -0.12 -0.94 0.05 0.00 -0.51 0.00 0.00 60.65 59.13 2wb1 s ILE 742 Cb -0.15 -3.03 -0.03 0.00 0.61 0.00 0.00 42.46 39.85 2wb1 s ILE 742 CO 0.01 -0.03 0.24 -0.32 -2.81 0.00 0.00 174.94 172.03 2wb1 s MET 743 N 1.43 3.17 -0.01 3.50 -2.45 -0.90 -0.82 119.30 123.23 2wb1 s MET 743 Ca 0.00 -0.81 -0.30 0.00 -1.25 0.00 0.00 55.69 53.33 2wb1 s MET 743 Cb -0.18 -2.77 -0.05 0.00 1.25 0.00 0.00 34.83 33.08 2wb1 s MET 743 CO 0.02 0.46 1.37 1.21 1.05 0.00 0.00 175.02 179.13 2wb1 s ASN 744 N -3.50 6.88 0.09 1.11 3.84 0.15 -2.09 114.94 121.41 2wb1 s ASN 744 Ca 0.33 2.06 -0.12 0.00 0.21 0.00 0.00 52.86 55.34 2wb1 s ASN 744 Cb -0.10 -2.56 -0.20 0.00 -0.55 0.00 0.00 41.25 37.84 2wb1 s ASN 744 CO 0.26 -0.70 1.22 -0.09 -2.79 0.00 0.00 177.10 175.00 2wb1 h ARG 745 N 7.78 0.64 0.00 0.43 2.43 -1.56 -3.22 114.38 120.88 2wb1 h ARG 745 Ca -0.37 -0.69 -0.05 0.00 -0.81 0.00 0.00 59.98 58.06 2wb1 h ARG 745 Cb 1.17 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 2wb1 h ARG 745 CO 0.90 1.28 -0.23 0.77 -1.51 0.00 0.00 179.97 181.18 2wb1 h SER 746 N 0.36 0.00 1.51 -3.80 0.02 -1.89 -1.22 113.55 108.53 2wb1 h SER 746 Ca -0.12 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 2wb1 h SER 746 Cb 1.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.20 2wb1 h SER 746 CO 0.20 0.23 -0.38 0.28 -1.14 0.00 0.00 176.83 176.02 2wb1 h SER 747 N 0.00 0.00 -0.11 3.07 0.02 -1.94 -2.01 113.55 112.58 2wb1 h SER 747 Ca -0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2wb1 h SER 747 Cb 0.65 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.21 2wb1 h SER 747 CO 0.03 0.38 -0.81 0.58 -1.14 0.00 0.00 176.83 175.87 2wb1 h VAL 748 N 0.00 1.29 0.00 2.27 2.07 -1.28 0.85 116.25 121.45 2wb1 h VAL 748 Ca -0.00 -2.02 -0.07 0.00 0.82 0.00 0.00 66.70 65.42 2wb1 h VAL 748 Cb 1.23 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 2wb1 h VAL 748 CO 0.05 0.63 -0.33 -0.33 0.02 0.00 0.00 177.57 177.62 2wb1 h GLU 749 N 0.45 0.00 -0.00 1.57 5.08 -1.30 -2.67 114.58 117.71 2wb1 h GLU 749 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2wb1 h GLU 749 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2wb1 h GLU 749 CO 0.17 0.33 -0.04 0.54 -1.00 0.00 0.00 179.01 179.00 2wb1 n ARG 750 N -4.04 0.58 0.00 2.33 1.74 -0.76 -4.92 116.66 111.59 2wb1 n ARG 750 Ca -0.02 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2wb1 n ARG 750 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2wb1 n ARG 750 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wb1 n GLY 751 N 1.26 1.56 3.75 -0.13 0.00 -1.00 -5.05 105.19 105.57 2wb1 n GLY 751 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2wb1 n GLY 751 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wb1 n MET 752 N 0.00 2.39 -2.66 1.61 0.00 0.26 -2.86 117.12 115.86 2wb1 n MET 752 Ca 0.00 0.84 -0.16 0.00 0.00 0.00 0.00 57.70 58.38 2wb1 n MET 752 Cb 0.00 -2.56 -0.00 0.00 0.00 0.00 0.00 33.22 30.66 2wb1 n MET 752 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2wb1 n TYR 753 N 0.20 -1.49 -2.96 1.12 0.53 -1.26 -4.58 117.16 108.71 2wb1 n TYR 753 Ca 0.03 0.14 -0.41 0.00 -1.02 0.00 0.00 57.90 56.64 2wb1 n TYR 753 Cb 0.39 -3.13 -0.05 0.00 -1.03 0.00 0.00 39.34 35.52 2wb1 n TYR 753 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 2wb1 s ARG 754 N -5.28 4.19 0.45 -0.72 0.52 -1.13 -4.18 118.95 112.80 2wb1 s ARG 754 Ca 0.10 0.84 0.04 0.00 -0.52 0.00 0.00 55.73 56.19 2wb1 s ARG 754 Cb -0.05 -3.62 0.04 0.00 0.52 0.00 0.00 34.95 31.84 2wb1 s ARG 754 CO 0.13 -0.42 0.37 -1.13 0.02 0.00 0.00 175.30 174.26 2wb1 n SER 755 N 5.67 2.36 -3.44 0.23 3.41 -0.76 0.19 113.62 121.29 2wb1 n SER 755 Ca 0.03 -2.52 -0.16 0.00 -0.26 0.00 0.00 58.87 55.97 2wb1 n SER 755 Cb 0.48 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 2wb1 n SER 755 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wb1 s THR 756 N -2.20 -0.41 0.36 6.66 2.01 -0.67 -1.92 115.64 119.46 2wb1 s THR 756 Ca 0.28 -0.19 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 2wb1 s THR 756 Cb -0.02 -0.78 -0.10 0.00 0.01 0.00 0.00 72.50 71.61 2wb1 s THR 756 CO 0.18 -0.24 1.28 0.12 -0.69 0.00 0.00 174.62 175.27 2wb1 s PHE 757 N 2.39 3.01 -0.08 4.92 5.36 -1.07 -2.77 117.98 129.73 2wb1 s PHE 757 Ca 0.09 1.44 0.05 0.00 -0.96 0.00 0.00 56.93 57.55 2wb1 s PHE 757 Cb -0.15 -3.63 -0.00 0.00 -0.34 0.00 0.00 43.02 38.89 2wb1 s PHE 757 CO -0.18 -1.81 -0.24 -0.06 -1.46 0.00 0.00 175.22 171.47 2wb1 s PHE 758 N -1.20 2.49 0.31 10.12 0.40 -0.38 -1.39 117.98 128.33 2wb1 s PHE 758 Ca 0.52 -0.90 0.09 0.00 -0.60 0.00 0.00 56.93 56.03 2wb1 s PHE 758 Cb -0.38 -1.65 -0.06 0.00 0.51 0.00 0.00 43.02 41.44 2wb1 s PHE 758 CO 0.50 -0.33 -0.09 0.50 0.70 0.00 0.00 175.22 176.49 2wb1 s ARG 759 N 0.13 1.69 -0.03 0.44 3.52 -0.75 -2.73 118.95 121.22 2wb1 s ARG 759 Ca -0.12 -1.85 -0.02 0.00 -0.13 0.00 0.00 55.73 53.61 2wb1 s ARG 759 Cb -0.16 -1.48 0.02 0.00 -1.56 0.00 0.00 34.95 31.77 2wb1 s ARG 759 CO 0.07 0.12 0.07 -1.17 -0.81 0.00 0.00 175.30 173.58 2wb1 s LEU 760 N -3.53 1.40 0.04 -0.88 0.20 -0.89 -1.55 118.68 113.49 2wb1 s LEU 760 Ca 0.31 0.14 0.09 0.00 0.69 0.00 0.00 54.13 55.36 2wb1 s LEU 760 Cb 0.02 0.18 -0.03 0.00 -0.43 0.00 0.00 46.19 45.93 2wb1 s LEU 760 CO 0.14 -0.07 -0.25 -0.31 -0.29 0.00 0.00 176.35 175.57 2wb1 s TYR 761 N 0.49 2.36 -0.03 5.38 1.51 0.59 -4.99 117.35 122.66 2wb1 s TYR 761 Ca -0.04 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.34 2wb1 s TYR 761 Cb -0.05 -1.40 0.08 0.00 -0.11 0.00 0.00 41.96 40.47 2wb1 s TYR 761 CO -0.02 0.15 0.74 -1.54 -1.11 0.00 0.00 175.55 173.76 2wb1 s SER 762 N -1.27 -0.57 0.01 2.29 1.04 -1.26 0.53 113.70 114.48 2wb1 s SER 762 Ca 0.12 0.50 0.02 0.00 0.48 0.00 0.00 55.95 57.07 2wb1 s SER 762 Cb -0.10 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 2wb1 s SER 762 CO 0.03 -0.62 -0.06 -0.89 0.98 0.00 0.00 173.24 172.67 2wb1 s THR 763 N -1.72 0.45 -0.08 2.02 2.01 -0.89 -5.01 115.64 112.42 2wb1 s THR 763 Ca -0.06 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 2wb1 s THR 763 Cb -0.00 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 2wb1 s THR 763 CO 0.03 -0.07 0.56 -1.61 -0.69 0.00 0.00 174.62 172.84 2wb1 s GLU 764 N -0.65 4.35 -1.26 4.92 2.02 -1.26 -2.65 118.70 124.17 2wb1 s GLU 764 Ca -0.02 0.62 -0.14 0.00 0.02 0.00 0.00 54.97 55.44 2wb1 s GLU 764 Cb -0.05 -3.41 0.14 0.00 0.10 0.00 0.00 34.13 30.91 2wb1 s GLU 764 CO 0.00 0.19 1.61 -1.91 0.02 0.00 0.00 175.26 175.17 2wb1 n GLU 765 N 3.46 3.34 -3.41 1.61 2.13 -0.92 -4.80 120.64 122.05 2wb1 n GLU 765 Ca -0.06 -3.61 0.01 0.00 0.66 0.00 0.00 57.16 54.17 2wb1 n GLU 765 Cb 0.51 -3.14 -0.04 0.00 0.27 0.00 0.00 31.44 29.05 2wb1 n GLU 765 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wb1 s VAL 766 N 2.08 -0.56 -0.04 6.31 0.11 -1.26 -4.38 120.40 122.66 2wb1 s VAL 766 Ca 0.45 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.56 2wb1 s VAL 766 Cb 0.01 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.96 2wb1 s VAL 766 CO 0.02 0.00 0.97 0.29 -3.33 0.00 0.00 175.10 173.04 2wb1 n LYS 767 N 5.07 1.55 -2.74 1.54 4.01 -1.26 -4.77 118.16 121.55 2wb1 n LYS 767 Ca -0.09 -1.62 -0.07 0.00 -0.51 0.00 0.00 58.31 56.02 2wb1 n LYS 767 Cb 0.52 -1.01 0.05 0.00 -0.51 0.00 0.00 35.03 34.08 2wb1 n LYS 767 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2wb1 n TYR 768 N -0.66 -3.06 0.25 2.13 0.53 -1.26 -4.68 117.16 110.42 2wb1 n TYR 768 Ca 0.05 -1.57 0.00 0.00 -1.02 0.00 0.00 57.90 55.36 2wb1 n TYR 768 Cb 0.48 1.50 0.00 0.00 -1.03 0.00 0.00 39.34 40.29 2wb1 n TYR 768 CO 0.00 0.00 0.00 -0.35 -1.02 0.00 0.00 176.86 175.49 2wb1 n PRO 769 N 1.81 0.22 -2.86 -0.72 -0.04 -1.26 -3.37 135.00 128.78 2wb1 n PRO 769 Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 2wb1 n PRO 769 Cb 0.63 -1.09 0.01 0.00 -0.04 0.00 0.00 33.50 33.00 2wb1 n PRO 769 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wb1 n GLY 770 N 0.29 0.21 0.00 0.55 0.00 -1.26 -5.03 105.19 99.95 2wb1 n GLY 770 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wb1 n GLY 770 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 771 N 2.32 1.96 0.00 -0.02 0.00 -1.22 -5.03 105.19 103.20 2wb1 n GLY 771 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2wb1 n GLY 771 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wb1 n GLN 772 N 0.00 0.00 0.00 1.61 6.02 -1.22 -5.11 117.38 118.68 2wb1 n GLN 772 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wb1 n GLN 772 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2wb1 n GLN 772 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wb1 n GLU 773 N 0.00 0.00 -4.42 -1.09 0.00 -1.22 -4.86 120.64 109.05 2wb1 n GLU 773 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.94 2wb1 n GLU 773 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 2wb1 n GLU 773 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2wb1 s ASP 774 N -0.58 3.18 0.00 4.31 1.11 -1.26 -4.90 116.67 118.52 2wb1 s ASP 774 Ca 0.00 -1.04 0.00 0.00 0.18 0.00 0.00 52.55 51.69 2wb1 s ASP 774 Cb 0.00 -0.23 0.00 0.00 1.07 0.00 0.00 42.92 43.76 2wb1 s ASP 774 CO 0.00 -0.06 0.00 0.29 1.18 0.00 0.00 175.17 176.58 2wb1 n LYS 775 N -0.53 2.09 -3.87 8.23 5.02 -1.21 -4.28 118.16 123.61 2wb1 n LYS 775 Ca -0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.93 2wb1 n LYS 775 Cb 0.60 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.47 2wb1 n LYS 775 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wb1 s ILE 776 N 0.09 1.93 0.00 -0.18 1.01 -1.26 -1.48 121.20 121.31 2wb1 s ILE 776 Ca 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 60.65 58.03 2wb1 s ILE 776 Cb 0.00 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.09 2wb1 s ILE 776 CO 0.00 -0.77 0.00 0.52 0.00 0.00 0.00 174.94 174.69 2wb1 n VAL 777 N 3.73 0.00 -3.69 2.92 0.31 -0.90 -4.71 118.33 115.99 2wb1 n VAL 777 Ca 0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.99 2wb1 n VAL 777 Cb 0.36 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.18 2wb1 n VAL 777 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 s MET 778 N 1.57 2.67 0.42 5.55 0.23 -1.25 -3.83 119.30 124.66 2wb1 s MET 778 Ca 0.00 -1.19 -0.21 0.00 -1.03 0.00 0.00 55.69 53.26 2wb1 s MET 778 Cb 0.00 -3.58 -0.15 0.00 -1.53 0.00 0.00 34.83 29.56 2wb1 s MET 778 CO 0.00 -0.72 0.08 -2.30 -2.03 0.00 0.00 175.02 170.05 2wb1 n PRO 779 N 4.88 0.03 -2.20 3.16 -0.02 -1.26 -4.88 135.00 134.71 2wb1 n PRO 779 Ca -0.12 0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 2wb1 n PRO 779 Cb 0.45 -1.03 -0.03 0.00 -0.02 0.00 0.00 33.50 32.87 2wb1 n PRO 779 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wb1 s GLU 780 N -1.04 4.22 0.42 -0.52 2.56 -1.26 -4.90 118.70 118.17 2wb1 s GLU 780 Ca 0.59 1.95 0.35 0.00 0.00 0.00 0.00 54.97 57.86 2wb1 s GLU 780 Cb -0.61 -3.84 1.35 0.00 2.00 0.00 0.00 34.13 33.04 2wb1 s GLU 780 CO 0.63 -0.75 1.30 -2.30 -0.56 0.00 0.00 175.26 173.58 2wb1 n PRO 781 N 6.66 -0.01 0.00 4.30 -0.02 -1.26 -4.39 135.00 140.27 2wb1 n PRO 781 Ca 0.15 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 2wb1 n PRO 781 Cb 0.44 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2wb1 n PRO 781 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wb1 n GLY 782 N -1.62 1.46 2.16 -1.23 0.00 -1.26 -4.91 105.19 99.79 2wb1 n GLY 782 Ca 0.36 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 2wb1 n GLY 782 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wb1 n VAL 783 N 0.00 0.00 -3.62 1.61 0.31 -1.26 -4.41 118.33 110.96 2wb1 n VAL 783 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2wb1 n VAL 783 Cb 0.00 -0.16 -0.07 0.00 -0.91 0.00 0.00 33.84 32.70 2wb1 n VAL 783 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wb1 s ARG 784 N 0.98 0.85 0.00 5.55 6.06 -1.18 -4.78 118.95 126.42 2wb1 s ARG 784 Ca 0.58 0.74 0.00 0.00 -2.50 0.00 0.00 55.73 54.56 2wb1 s ARG 784 Cb -0.83 0.41 0.00 0.00 0.06 0.00 0.00 34.95 34.59 2wb1 s ARG 784 CO 0.42 -0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.48 2wb1 n GLY 785 N 2.25 0.68 3.66 8.12 0.00 -1.26 -3.94 105.19 114.69 2wb1 n GLY 785 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2wb1 n GLY 785 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wb1 n TYR 786 N -2.59 1.61 -0.03 1.61 9.36 -1.26 -4.79 117.16 121.06 2wb1 n TYR 786 Ca 0.00 0.51 -0.17 0.00 3.32 0.00 0.00 57.90 61.56 2wb1 n TYR 786 Cb 0.00 -2.29 -0.14 0.00 -0.63 0.00 0.00 39.34 36.28 2wb1 n TYR 786 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2wb1 n LYS 787 N -0.13 0.70 0.00 2.98 5.02 -1.26 -5.10 118.16 120.38 2wb1 n LYS 787 Ca 0.09 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2wb1 n LYS 787 Cb 0.41 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2wb1 n LYS 787 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wb1 n GLY 788 N 1.92 0.41 7.00 0.72 0.00 -1.26 -4.96 105.19 109.01 2wb1 n GLY 788 Ca -0.31 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2wb1 n GLY 788 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 789 N 0.56 0.00 -0.17 1.61 4.76 -1.26 -2.72 118.16 120.94 2wb1 n LYS 789 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wb1 n LYS 789 Cb 0.00 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.25 2wb1 n LYS 789 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wb1 n GLU 790 N 0.00 1.61 0.27 1.97 4.71 -1.26 -3.43 120.64 124.52 2wb1 n GLU 790 Ca 0.00 -0.55 0.15 0.00 -0.01 0.00 0.00 57.16 56.75 2wb1 n GLU 790 Cb 0.00 -1.56 0.75 0.00 -1.01 0.00 0.00 31.44 29.61 2wb1 n GLU 790 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 2wb1 h TYR 791 N 0.62 0.00 0.00 -0.32 0.99 -1.83 -2.93 116.97 113.49 2wb1 h TYR 791 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2wb1 h TYR 791 Cb 0.86 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.59 2wb1 h TYR 791 CO 0.21 0.09 -1.21 0.66 -0.00 0.00 0.00 178.16 177.92 2wb1 n TYR 792 N -3.40 0.03 -0.35 4.88 4.02 -1.22 -1.26 117.16 119.85 2wb1 n TYR 792 Ca -0.01 0.01 0.33 0.00 -0.01 0.00 0.00 57.90 58.22 2wb1 n TYR 792 Cb 0.26 -0.17 0.51 0.00 -0.02 0.00 0.00 39.34 39.93 2wb1 n TYR 792 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2wb1 n ARG 793 N -1.72 0.01 0.00 -0.72 3.00 -1.11 -0.23 116.66 115.89 2wb1 n ARG 793 Ca 0.02 0.94 0.08 0.00 -0.00 0.00 0.00 57.85 58.89 2wb1 n ARG 793 Cb 0.40 -2.27 0.07 0.00 0.00 0.00 0.00 32.46 30.65 2wb1 n ARG 793 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2wb1 n LEU 794 N -3.29 2.37 -4.63 6.15 4.77 -1.26 -4.93 117.00 116.19 2wb1 n LEU 794 Ca 0.28 -0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 54.84 2wb1 n LEU 794 Cb 1.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.61 2wb1 n LEU 794 CO 0.28 0.42 1.09 -0.76 -1.33 0.00 0.00 177.39 177.09 2wb1 s LEU 795 N -1.45 3.88 0.80 2.23 1.43 0.68 -3.88 118.68 122.38 2wb1 s LEU 795 Ca 0.19 1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 54.33 2wb1 s LEU 795 Cb 0.14 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.89 2wb1 s LEU 795 CO 0.22 -1.04 1.09 -1.61 0.23 0.00 0.00 176.35 175.24 2wb1 s GLU 796 N 4.06 2.03 0.00 1.70 0.41 -0.53 -4.76 118.70 121.61 2wb1 s GLU 796 Ca 0.54 1.08 0.00 0.00 -0.41 0.00 0.00 54.97 56.17 2wb1 s GLU 796 Cb -0.15 -1.88 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 2wb1 s GLU 796 CO 0.22 -1.78 0.00 -0.25 -0.49 0.00 0.00 175.26 172.96 2wb1 n ASP 797 N -3.60 0.00 0.23 -0.19 9.92 -1.26 0.46 116.55 122.10 2wb1 n ASP 797 Ca 0.09 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.44 2wb1 n ASP 797 Cb 0.54 0.00 0.52 0.00 -0.64 0.00 0.00 41.12 41.54 2wb1 n ASP 797 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2wb1 h ASN 798 N 0.00 0.00 0.00 -2.24 7.08 -1.95 -3.44 115.58 115.03 2wb1 h ASN 798 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2wb1 h ASN 798 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2wb1 h ASN 798 CO 0.00 0.23 0.00 0.61 -2.08 0.00 0.00 177.43 176.19 2wb1 n GLY 799 N -0.24 1.93 2.93 9.14 0.00 0.17 -3.94 105.19 115.18 2wb1 n GLY 799 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2wb1 n GLY 799 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb1 s VAL 800 N -2.00 0.46 0.37 1.61 1.01 -1.24 -0.88 120.40 119.74 2wb1 s VAL 800 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 2wb1 s VAL 800 Cb 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 36.38 35.83 2wb1 s VAL 800 CO 0.00 0.16 1.50 1.33 0.00 0.00 0.00 175.10 178.09 2wb1 n VAL 801 N 3.40 1.95 -1.13 2.92 0.24 -0.42 -1.46 118.33 123.84 2wb1 n VAL 801 Ca -0.18 -0.49 -0.32 0.00 -2.04 0.00 0.00 64.34 61.31 2wb1 n VAL 801 Cb 0.55 -1.98 0.11 0.00 -1.47 0.00 0.00 33.84 31.05 2wb1 n VAL 801 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wb1 s SER 802 N -0.10 3.93 -0.05 -1.34 1.04 -1.25 -4.87 113.70 111.07 2wb1 s SER 802 Ca 0.54 2.06 0.07 0.00 0.48 0.00 0.00 55.95 59.10 2wb1 s SER 802 Cb -0.47 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.38 2wb1 s SER 802 CO 0.63 -2.42 1.08 -0.81 0.98 0.00 0.00 173.24 172.69 2wb1 n PRO 803 N -3.54 2.14 -2.96 4.02 -0.04 -1.26 -4.05 135.00 129.30 2wb1 n PRO 803 Ca 0.11 -1.13 -0.17 0.00 -0.04 0.00 0.00 63.50 62.27 2wb1 n PRO 803 Cb 0.52 -1.55 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 2wb1 n PRO 803 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wb1 n GLU 804 N 0.28 1.47 -5.13 0.54 -0.58 -1.26 -4.05 120.64 111.91 2wb1 n GLU 804 Ca 0.10 -3.60 -0.29 0.00 -0.42 0.00 0.00 57.16 52.95 2wb1 n GLU 804 Cb 0.45 -1.68 -0.16 0.00 -0.57 0.00 0.00 31.44 29.49 2wb1 n GLU 804 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2wb1 s VAL 805 N -3.09 1.80 0.28 2.62 1.01 -1.26 -4.95 120.40 116.81 2wb1 s VAL 805 Ca 0.38 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 2wb1 s VAL 805 Cb 0.38 -1.50 -0.10 0.00 0.00 0.00 0.00 36.38 35.15 2wb1 s VAL 805 CO -0.06 0.51 1.33 -1.61 0.00 0.00 0.00 175.10 175.27 2wb1 s GLU 806 N -0.47 4.36 -0.08 2.72 2.02 -1.26 -2.17 118.70 123.81 2wb1 s GLU 806 Ca 0.07 2.18 -0.03 0.00 0.02 0.00 0.00 54.97 57.21 2wb1 s GLU 806 Cb -0.09 -3.11 0.05 0.00 0.10 0.00 0.00 34.13 31.07 2wb1 s GLU 806 CO -0.00 -0.24 0.16 0.08 0.02 0.00 0.00 175.26 175.28 2wb1 s VAL 807 N -0.61 -0.23 0.00 2.63 1.01 -0.41 -4.97 120.40 117.82 2wb1 s VAL 807 Ca 0.53 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2wb1 s VAL 807 Cb -0.39 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2wb1 s VAL 807 CO 0.47 0.14 0.00 0.29 0.00 0.00 0.00 175.10 176.00 2wb1 n LYS 808 N 5.14 1.82 0.00 2.72 4.01 -1.26 -2.82 118.16 127.78 2wb1 n LYS 808 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2wb1 n LYS 808 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 2wb1 n LYS 808 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wb1 n GLY 809 N 3.60 0.00 2.77 0.72 0.00 -1.22 -2.69 105.19 108.37 2wb1 n GLY 809 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wb1 n GLY 809 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 810 N 0.00 5.48 3.85 -0.02 0.00 -1.26 -4.42 105.19 108.81 2wb1 n GLY 810 Ca 0.00 -2.69 -0.37 0.00 0.00 0.00 0.00 46.02 42.96 2wb1 n GLY 810 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 811 N -2.11 6.41 0.12 1.61 1.11 -1.10 -4.81 116.67 117.90 2wb1 s ASP 811 Ca 0.38 0.49 -0.30 0.00 0.18 0.00 0.00 52.55 53.30 2wb1 s ASP 811 Cb 0.15 -2.10 -0.06 0.00 1.07 0.00 0.00 42.92 41.98 2wb1 s ASP 811 CO -0.03 0.35 1.08 -0.69 1.18 0.00 0.00 175.17 177.06 2wb1 s VAL 812 N -0.75 4.15 -0.15 -1.27 1.01 -0.39 -1.03 120.40 121.98 2wb1 s VAL 812 Ca 0.15 1.72 -0.04 0.00 0.00 0.00 0.00 61.98 63.81 2wb1 s VAL 812 Cb -0.12 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 2wb1 s VAL 812 CO 0.04 0.23 -0.16 0.18 0.00 0.00 0.00 175.10 175.39 2wb1 n LEU 813 N 3.00 1.95 -4.11 3.92 4.77 -0.98 -4.63 117.00 120.91 2wb1 n LEU 813 Ca 0.04 0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.76 2wb1 n LEU 813 Cb 0.47 -0.47 -0.16 0.00 -2.33 0.00 0.00 43.42 40.94 2wb1 n LEU 813 CO 0.53 0.51 -0.51 -0.63 -1.33 0.00 0.00 177.39 175.97 2wb1 s ILE 814 N -2.28 2.13 -0.18 -0.08 1.01 -1.20 -1.30 121.20 119.30 2wb1 s ILE 814 Ca -0.20 -1.13 -0.22 0.00 0.00 0.00 0.00 60.65 59.09 2wb1 s ILE 814 Cb 0.07 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2wb1 s ILE 814 CO 0.30 0.37 0.67 -0.83 0.00 0.00 0.00 174.94 175.45 2wb1 s GLY 815 N 1.24 2.13 0.03 6.18 0.00 -0.06 -0.98 107.32 115.86 2wb1 s GLY 815 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.56 2wb1 s GLY 815 CO -0.10 1.35 -0.02 1.25 0.00 0.00 0.00 173.10 175.58 2wb1 s LYS 816 N 1.80 0.40 0.03 2.90 2.20 -1.25 -2.12 119.74 123.69 2wb1 s LYS 816 Ca 0.31 -0.76 0.05 0.00 -0.36 0.00 0.00 55.97 55.22 2wb1 s LYS 816 Cb -0.16 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.28 2wb1 s LYS 816 CO 0.12 -0.07 -0.15 0.08 -0.36 0.00 0.00 175.35 174.96 2wb1 s VAL 817 N -2.11 1.22 0.24 4.02 1.01 -0.55 -3.66 120.40 120.58 2wb1 s VAL 817 Ca -0.10 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.01 2wb1 s VAL 817 Cb -0.05 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 2wb1 s VAL 817 CO -0.03 0.11 -0.13 -0.44 0.00 0.00 0.00 175.10 174.61 2wb1 s SER 818 N -0.96 2.82 0.63 3.32 0.01 -1.24 -3.32 113.70 114.95 2wb1 s SER 818 Ca 0.04 -1.07 -0.12 0.00 1.31 0.00 0.00 55.95 56.10 2wb1 s SER 818 Cb -0.07 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 2wb1 s SER 818 CO 0.01 -0.18 1.04 -2.84 0.41 0.00 0.00 173.24 171.68 2wb1 s PRO 819 N -3.64 3.34 0.00 12.44 0.02 -1.26 -0.41 135.00 145.49 2wb1 s PRO 819 Ca 0.26 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.21 2wb1 s PRO 819 Cb -0.00 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.47 2wb1 s PRO 819 CO 0.10 -0.77 0.00 -0.35 -0.33 0.00 0.00 177.00 175.64 2wb1 n PRO 820 N -2.62 0.00 0.00 5.54 -0.04 -1.26 -4.37 135.00 132.25 2wb1 n PRO 820 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2wb1 n PRO 820 Cb 0.54 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2wb1 n PRO 820 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wb1 n ALA 834 N -2.40 0.00 0.00 0.55 0.00 -1.26 -5.05 120.51 112.35 2wb1 n ALA 834 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 834 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 834 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wb1 n LYS 835 N 0.00 0.00 0.00 0.00 5.02 -1.26 -3.57 118.16 118.35 2wb1 n LYS 835 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wb1 n LYS 835 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wb1 n LYS 835 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wb1 n ARG 836 N -0.99 0.52 0.00 1.97 1.74 0.46 -3.10 116.66 117.26 2wb1 n ARG 836 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wb1 n ARG 836 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wb1 n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wb1 n ASP 837 N -0.81 0.00 -3.97 0.55 2.03 -1.25 -4.31 116.55 108.79 2wb1 n ASP 837 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 2wb1 n ASP 837 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2wb1 n ASP 837 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2wb1 n THR 838 N 0.00 -3.18 -3.03 5.18 -1.04 -1.26 -3.67 114.28 107.28 2wb1 n THR 838 Ca 0.00 -0.58 -0.33 0.00 -2.04 0.00 0.00 64.05 61.10 2wb1 n THR 838 Cb 0.00 -2.65 -0.06 0.00 -1.82 0.00 0.00 70.33 65.79 2wb1 n THR 838 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2wb1 s SER 839 N -4.17 6.83 0.30 8.00 1.04 -1.24 -4.75 113.70 119.71 2wb1 s SER 839 Ca 0.11 1.42 -0.29 0.00 0.48 0.00 0.00 55.95 57.67 2wb1 s SER 839 Cb -0.05 -2.43 -0.10 0.00 0.10 0.00 0.00 66.02 63.54 2wb1 s SER 839 CO 0.91 -0.26 1.18 -0.63 0.98 0.00 0.00 173.24 175.41 2wb1 s ILE 840 N -2.05 3.21 0.06 -1.02 1.09 -0.15 -4.88 121.20 117.46 2wb1 s ILE 840 Ca 0.57 1.22 0.04 0.00 -1.10 0.00 0.00 60.65 61.38 2wb1 s ILE 840 Cb -0.10 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.50 2wb1 s ILE 840 CO 0.16 0.29 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.47 2wb1 s VAL 841 N -1.13 0.94 0.34 2.92 1.01 -1.26 -2.33 120.40 120.89 2wb1 s VAL 841 Ca 0.46 -1.25 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 2wb1 s VAL 841 Cb -0.35 -0.94 -0.12 0.00 0.00 0.00 0.00 36.38 34.97 2wb1 s VAL 841 CO 0.45 -0.27 1.25 0.41 0.00 0.00 0.00 175.10 176.93 2wb1 n THR 842 N 1.32 2.01 -1.56 3.92 -1.04 -0.20 -4.93 114.28 113.81 2wb1 n THR 842 Ca -0.22 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 60.92 2wb1 n THR 842 Cb 0.54 -1.49 0.06 0.00 -1.82 0.00 0.00 70.33 67.62 2wb1 n THR 842 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wb1 n ARG 843 N 0.57 0.76 0.17 -2.82 5.12 -1.26 -4.62 116.66 114.58 2wb1 n ARG 843 Ca 0.05 0.30 -0.07 0.00 -1.93 0.00 0.00 57.85 56.21 2wb1 n ARG 843 Cb 0.35 -2.12 -0.03 0.00 -1.16 0.00 0.00 32.46 29.50 2wb1 n ARG 843 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2wb1 h HIS 844 N 0.29 -0.40 -0.20 -1.55 2.76 -1.79 -3.10 115.15 111.17 2wb1 h HIS 844 Ca -0.48 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 57.60 2wb1 h HIS 844 Cb 1.37 0.13 -0.05 0.00 1.55 0.00 0.00 27.41 30.41 2wb1 h HIS 844 CO 0.36 -0.25 0.10 0.41 -1.30 0.00 0.00 177.93 177.26 2wb1 n GLY 845 N -1.00 2.34 3.81 5.26 0.00 -1.26 -4.45 105.19 109.89 2wb1 n GLY 845 Ca -0.05 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 2wb1 n GLY 845 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb1 s GLU 846 N -0.94 2.29 0.00 1.61 2.02 -1.17 -5.04 118.70 117.48 2wb1 s GLU 846 Ca 0.13 -1.86 0.00 0.00 0.02 0.00 0.00 54.97 53.25 2wb1 s GLU 846 Cb 0.10 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.27 2wb1 s GLU 846 CO 0.03 -0.28 0.00 0.00 0.02 0.00 0.00 175.26 175.03 2wb1 n MET 847 N -1.44 0.00 0.00 1.61 0.00 -1.26 -3.39 117.12 112.64 2wb1 n MET 847 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 2wb1 n MET 847 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.86 2wb1 n MET 847 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wb1 n GLY 848 N 0.00 -0.38 3.32 3.17 0.00 -1.13 -4.76 105.19 105.42 2wb1 n GLY 848 Ca 0.00 -2.23 -0.28 0.00 0.00 0.00 0.00 46.02 43.51 2wb1 n GLY 848 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 849 N -0.00 2.00 0.15 -0.61 1.01 0.47 -1.29 121.20 122.93 2wb1 s ILE 849 Ca 0.00 -1.44 -0.31 0.00 0.00 0.00 0.00 60.65 58.90 2wb1 s ILE 849 Cb 0.00 -1.74 -0.08 0.00 0.01 0.00 0.00 42.46 40.65 2wb1 s ILE 849 CO 0.00 0.22 1.36 -0.69 0.00 0.00 0.00 174.94 175.82 2wb1 s VAL 850 N -0.90 3.26 -0.17 2.92 1.01 -0.92 -0.09 120.40 125.50 2wb1 s VAL 850 Ca 0.11 0.95 0.04 0.00 0.00 0.00 0.00 61.98 63.08 2wb1 s VAL 850 Cb -0.10 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 2wb1 s VAL 850 CO 0.03 0.10 -0.12 -0.67 0.00 0.00 0.00 175.10 174.45 2wb1 n ASP 851 N 3.40 2.34 -3.71 3.32 4.64 -0.43 -4.04 116.55 122.07 2wb1 n ASP 851 Ca 0.09 -0.08 -0.11 0.00 -1.38 0.00 0.00 54.79 53.31 2wb1 n ASP 851 Cb 0.42 -0.04 -0.11 0.00 -1.04 0.00 0.00 41.12 40.35 2wb1 n ASP 851 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2wb1 s LEU 852 N -5.85 0.09 -0.06 -2.67 2.96 -1.23 -4.96 118.68 106.96 2wb1 s LEU 852 Ca -0.21 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 54.52 2wb1 s LEU 852 Cb 0.06 1.17 -0.02 0.00 0.50 0.00 0.00 46.19 47.90 2wb1 s LEU 852 CO 0.46 -0.18 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.46 2wb1 s VAL 853 N 1.29 2.90 -0.02 1.68 1.01 -1.26 -1.41 120.40 124.59 2wb1 s VAL 853 Ca -0.09 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2wb1 s VAL 853 Cb -0.09 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.19 2wb1 s VAL 853 CO -0.11 0.58 0.02 -0.22 0.00 0.00 0.00 175.10 175.37 2wb1 s LEU 854 N -0.52 1.16 -0.09 3.92 0.20 -0.74 -5.02 118.68 117.58 2wb1 s LEU 854 Ca 0.07 0.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.90 2wb1 s LEU 854 Cb -0.12 -0.13 0.02 0.00 -0.43 0.00 0.00 46.19 45.54 2wb1 s LEU 854 CO 0.01 -0.11 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.28 2wb1 s ILE 855 N 1.00 0.80 0.00 6.68 1.09 -1.26 -2.14 121.20 127.36 2wb1 s ILE 855 Ca -0.09 -0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.30 2wb1 s ILE 855 Cb -0.13 -0.86 0.00 0.00 -1.06 0.00 0.00 42.46 40.42 2wb1 s ILE 855 CO -0.02 0.33 0.00 0.41 -0.10 0.00 0.00 174.94 175.55 2wb1 n THR 856 N 4.90 0.00 -4.00 2.92 -1.04 0.00 -5.01 114.28 112.05 2wb1 n THR 856 Ca -0.12 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.78 2wb1 n THR 856 Cb 0.50 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.90 2wb1 n THR 856 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wb1 s GLU 857 N 0.98 0.36 0.76 -2.82 2.02 -1.25 0.11 118.70 118.85 2wb1 s GLU 857 Ca 0.00 -0.61 -0.13 0.00 0.02 0.00 0.00 54.97 54.26 2wb1 s GLU 857 Cb 0.00 -0.03 0.18 0.00 0.10 0.00 0.00 34.13 34.38 2wb1 s GLU 857 CO 0.00 -0.01 0.76 0.25 0.02 0.00 0.00 175.26 176.28 2wb1 n THR 858 N 1.69 0.00 -0.34 3.63 -2.24 -0.18 -4.77 114.28 112.07 2wb1 n THR 858 Ca -0.23 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2wb1 n THR 858 Cb 0.55 -1.30 0.16 0.00 -2.10 0.00 0.00 70.33 67.64 2wb1 n THR 858 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wb1 h ALA 859 N -2.31 1.37 0.00 6.98 0.00 -1.88 -0.68 119.26 122.74 2wb1 h ALA 859 Ca -0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wb1 h ALA 859 Cb 0.81 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wb1 h ALA 859 CO 0.18 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.38 2wb1 n GLU 860 N -4.42 0.11 -2.36 0.00 1.02 -1.26 -3.62 120.64 110.10 2wb1 n GLU 860 Ca 0.12 0.19 -0.03 0.00 -0.02 0.00 0.00 57.16 57.42 2wb1 n GLU 860 Cb 0.07 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.00 2wb1 n GLU 860 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wb1 n GLY 861 N 0.03 0.37 3.53 0.62 0.00 -0.26 -4.91 105.19 104.57 2wb1 n GLY 861 Ca 0.05 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 2wb1 n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 862 N -3.21 4.97 -0.57 1.61 0.01 -1.26 -4.81 114.94 111.68 2wb1 s ASN 862 Ca 0.02 -0.07 -0.26 0.00 -0.71 0.00 0.00 52.86 51.84 2wb1 s ASN 862 Cb -0.01 -1.79 -0.08 0.00 0.41 0.00 0.00 41.25 39.78 2wb1 s ASN 862 CO 0.14 0.19 2.36 -0.75 -1.51 0.00 0.00 177.10 177.52 2wb1 s LYS 863 N 0.27 2.04 -0.14 -0.60 2.20 -1.26 -1.01 119.74 121.24 2wb1 s LYS 863 Ca -0.02 1.13 -0.08 0.00 -0.36 0.00 0.00 55.97 56.64 2wb1 s LYS 863 Cb -0.14 -4.62 -0.04 0.00 -1.51 0.00 0.00 37.83 31.52 2wb1 s LYS 863 CO 0.02 -3.49 0.15 -1.17 -0.36 0.00 0.00 175.35 170.51 2wb1 s LEU 864 N 12.50 4.33 -0.12 5.43 2.96 0.12 -2.17 118.68 141.73 2wb1 s LEU 864 Ca 0.94 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 55.25 2wb1 s LEU 864 Cb -0.16 -2.10 0.03 0.00 0.50 0.00 0.00 46.19 44.46 2wb1 s LEU 864 CO 0.21 0.33 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.83 2wb1 s VAL 865 N -0.56 0.88 -0.26 1.68 1.01 -1.08 -0.82 120.40 121.25 2wb1 s VAL 865 Ca 0.13 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 2wb1 s VAL 865 Cb -0.12 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 2wb1 s VAL 865 CO 0.02 0.25 0.03 -0.54 0.00 0.00 0.00 175.10 174.87 2wb1 s LYS 866 N 1.76 3.29 -0.18 2.72 1.02 -0.91 -2.09 119.74 125.35 2wb1 s LYS 866 Ca 0.04 -0.71 -0.00 0.00 0.02 0.00 0.00 55.97 55.31 2wb1 s LYS 866 Cb -0.13 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 2wb1 s LYS 866 CO -0.07 -0.31 -0.14 0.08 -0.92 0.00 0.00 175.35 173.98 2wb1 s VAL 867 N 1.51 2.63 0.25 3.17 1.01 0.19 -1.80 120.40 127.36 2wb1 s VAL 867 Ca 0.04 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.36 2wb1 s VAL 867 Cb -0.16 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2wb1 s VAL 867 CO 0.01 0.50 -0.02 0.00 0.00 0.00 0.00 175.10 175.58 2wb1 s ARG 868 N 1.13 2.24 -0.11 2.72 1.70 -0.50 -0.30 118.95 125.83 2wb1 s ARG 868 Ca 0.01 -1.39 -0.01 0.00 -0.47 0.00 0.00 55.73 53.86 2wb1 s ARG 868 Cb -0.14 -2.16 0.03 0.00 -0.57 0.00 0.00 34.95 32.11 2wb1 s ARG 868 CO -0.05 0.38 -0.02 0.08 -1.08 0.00 0.00 175.30 174.61 2wb1 s VAL 869 N -2.21 0.66 0.22 4.99 1.01 -0.59 -1.32 120.40 123.16 2wb1 s VAL 869 Ca 0.30 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 2wb1 s VAL 869 Cb -0.07 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 2wb1 s VAL 869 CO 0.19 0.21 0.58 0.00 0.00 0.00 0.00 175.10 176.07 2wb1 s ARG 870 N 1.85 3.88 -0.04 2.72 1.70 0.87 -1.80 118.95 128.12 2wb1 s ARG 870 Ca 0.04 0.39 0.00 0.00 -0.47 0.00 0.00 55.73 55.69 2wb1 s ARG 870 Cb -0.13 -2.69 0.02 0.00 -0.57 0.00 0.00 34.95 31.58 2wb1 s ARG 870 CO -0.07 0.33 -0.02 0.34 -1.08 0.00 0.00 175.30 174.81 2wb1 s ASP 871 N -2.19 0.79 0.16 -2.89 2.15 -0.49 -0.39 116.67 113.80 2wb1 s ASP 871 Ca 0.46 -0.07 -0.30 0.00 0.43 0.00 0.00 52.55 53.07 2wb1 s ASP 871 Cb -0.12 -0.34 -0.07 0.00 -0.30 0.00 0.00 42.92 42.09 2wb1 s ASP 871 CO 0.20 -0.09 1.12 -0.22 -0.17 0.00 0.00 175.17 176.01 2wb1 s LEU 872 N 1.09 4.46 -0.42 -1.34 0.20 -1.26 -2.61 118.68 118.81 2wb1 s LEU 872 Ca -0.09 2.08 0.03 0.00 0.69 0.00 0.00 54.13 56.84 2wb1 s LEU 872 Cb -0.14 -3.60 0.12 0.00 -0.43 0.00 0.00 46.19 42.14 2wb1 s LEU 872 CO -0.01 -0.27 0.18 -0.13 -0.29 0.00 0.00 176.35 175.82 2wb1 s ARG 873 N -0.12 1.43 -0.32 1.98 1.81 -0.81 -4.95 118.95 117.97 2wb1 s ARG 873 Ca 0.51 -1.99 -0.18 0.00 -1.72 0.00 0.00 55.73 52.35 2wb1 s ARG 873 Cb -0.29 -2.76 -0.01 0.00 -0.45 0.00 0.00 34.95 31.44 2wb1 s ARG 873 CO 0.34 -1.06 0.50 0.42 -0.68 0.00 0.00 175.30 174.82 2wb1 s ILE 874 N 0.52 5.04 -0.31 1.52 1.09 -1.26 -1.84 121.20 125.96 2wb1 s ILE 874 Ca 0.15 0.48 -0.38 0.00 -1.10 0.00 0.00 60.65 59.79 2wb1 s ILE 874 Cb -0.22 -3.92 -0.14 0.00 -1.06 0.00 0.00 42.46 37.12 2wb1 s ILE 874 CO -0.06 -0.12 1.95 -0.81 -0.10 0.00 0.00 174.94 175.80 2wb1 n PRO 875 N 5.67 1.10 -4.61 2.79 -0.04 -1.26 -4.93 135.00 133.73 2wb1 n PRO 875 Ca -0.05 0.37 -0.27 0.00 -0.04 0.00 0.00 63.50 63.50 2wb1 n PRO 875 Cb 0.49 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.63 2wb1 n PRO 875 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wb1 s SER 876 N 5.18 3.62 -0.18 3.54 1.04 -1.26 -5.03 113.70 120.60 2wb1 s SER 876 Ca 1.04 -1.42 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 2wb1 s SER 876 Cb -1.00 -0.19 -0.07 0.00 0.10 0.00 0.00 66.02 64.85 2wb1 s SER 876 CO 0.59 -0.55 2.14 -0.38 0.98 0.00 0.00 173.24 176.02 2wb1 n ILE 877 N -0.96 0.42 0.00 -1.02 -0.00 -1.26 -2.03 119.36 114.51 2wb1 n ILE 877 Ca -0.06 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 2wb1 n ILE 877 Cb 0.67 -2.32 0.00 0.00 -0.00 0.00 0.00 39.64 37.99 2wb1 n ILE 877 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2wb1 n GLY 878 N 5.52 1.02 3.75 7.39 0.00 -1.02 -4.92 105.19 116.93 2wb1 n GLY 878 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 2wb1 n GLY 878 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 879 N -0.87 6.64 -0.23 1.61 -0.00 -0.86 -4.23 116.67 118.72 2wb1 s ASP 879 Ca 0.00 2.71 -0.20 0.00 -0.00 0.00 0.00 52.55 55.06 2wb1 s ASP 879 Cb 0.00 -2.63 -0.02 0.00 -0.00 0.00 0.00 42.92 40.27 2wb1 s ASP 879 CO 0.00 -0.69 0.60 -0.75 -0.00 0.00 0.00 175.17 174.33 2wb1 s LYS 880 N -0.73 4.14 0.25 8.23 2.20 -0.99 -2.57 119.74 130.27 2wb1 s LYS 880 Ca 0.57 0.52 0.11 0.00 -0.36 0.00 0.00 55.97 56.81 2wb1 s LYS 880 Cb -0.42 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.23 2wb1 s LYS 880 CO 0.46 -0.33 -0.13 -0.06 -0.36 0.00 0.00 175.35 174.94 2wb1 s PHE 881 N 2.21 2.47 0.03 4.03 0.40 0.50 -1.19 117.98 126.43 2wb1 s PHE 881 Ca 0.26 -0.28 -0.10 0.00 -0.60 0.00 0.00 56.93 56.21 2wb1 s PHE 881 Cb -0.16 -1.11 0.01 0.00 0.51 0.00 0.00 43.02 42.27 2wb1 s PHE 881 CO 0.09 0.64 0.19 0.00 0.70 0.00 0.00 175.22 176.84 2wb1 s ALA 882 N -2.24 -0.40 1.00 5.36 0.00 -0.24 -1.42 121.76 123.82 2wb1 s ALA 882 Ca 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2wb1 s ALA 882 Cb -0.06 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2wb1 s ALA 882 CO 0.16 -0.32 0.00 -1.13 0.00 0.00 0.00 175.76 174.47 2wb1 n SER 883 N 0.90 -0.01 -1.37 0.00 3.41 -0.56 -1.33 113.62 114.67 2wb1 n SER 883 Ca -0.20 -0.08 0.10 0.00 -0.26 0.00 0.00 58.87 58.44 2wb1 n SER 883 Cb 0.58 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.85 2wb1 n SER 883 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2wb1 n ARG 884 N -0.09 3.08 -0.70 4.33 0.63 -1.25 -4.43 116.66 118.24 2wb1 n ARG 884 Ca 0.00 -2.70 0.04 0.00 -0.92 0.00 0.00 57.85 54.27 2wb1 n ARG 884 Cb 0.00 -1.66 0.07 0.00 0.45 0.00 0.00 32.46 31.32 2wb1 n ARG 884 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2wb1 n HIS 885 N 1.36 0.00 -0.97 -0.14 8.25 -1.26 -4.75 115.22 117.71 2wb1 n HIS 885 Ca 0.24 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 2wb1 n HIS 885 Cb 0.70 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2wb1 n HIS 885 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wb1 n GLY 886 N -0.35 0.48 3.50 -1.41 0.00 -1.22 -4.67 105.19 101.52 2wb1 n GLY 886 Ca 0.08 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2wb1 n GLY 886 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wb1 s GLN 887 N -0.70 3.86 1.23 1.61 2.00 -1.26 -4.90 119.66 121.51 2wb1 s GLN 887 Ca 0.00 -2.04 -0.21 0.00 -2.00 0.00 0.00 55.36 51.12 2wb1 s GLN 887 Cb 0.00 -5.16 0.31 0.00 0.80 0.00 0.00 33.01 28.97 2wb1 s GLN 887 CO 0.00 -1.93 0.97 1.63 -0.50 0.00 0.00 175.29 175.47 2wb1 n LYS 888 N 6.88 -3.55 0.00 1.67 5.02 -1.26 -1.50 118.16 125.42 2wb1 n LYS 888 Ca 0.35 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.07 2wb1 n LYS 888 Cb 0.46 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2wb1 n LYS 888 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wb1 n GLY 889 N -4.71 3.93 3.54 0.72 0.00 -0.50 -4.72 105.19 103.45 2wb1 n GLY 889 Ca 0.14 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2wb1 n GLY 889 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb1 s VAL 890 N -2.00 3.35 -0.53 1.61 1.01 -1.26 -0.37 120.40 122.21 2wb1 s VAL 890 Ca 0.00 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 2wb1 s VAL 890 Cb 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2wb1 s VAL 890 CO 0.00 0.40 2.24 -0.63 0.00 0.00 0.00 175.10 177.12 2wb1 s ILE 891 N -0.95 3.11 0.02 2.22 1.01 -1.06 -1.44 121.20 124.10 2wb1 s ILE 891 Ca 0.16 0.06 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 2wb1 s ILE 891 Cb -0.11 -3.29 -0.18 0.00 0.01 0.00 0.00 42.46 38.89 2wb1 s ILE 891 CO 0.06 -0.28 1.36 1.23 0.00 0.00 0.00 174.94 177.31 2wb1 h GLY 892 N 18.65 -0.21 -3.29 6.18 0.00 -1.00 -2.71 103.07 120.70 2wb1 h GLY 892 Ca -0.25 0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2wb1 h GLY 892 CO 1.18 -0.08 -0.47 -0.29 0.00 0.00 0.00 176.54 176.88 2wb1 s MET 893 N -4.89 0.75 -0.28 4.80 -2.45 -1.25 -4.91 119.30 111.07 2wb1 s MET 893 Ca -0.15 -1.00 0.03 0.00 -1.25 0.00 0.00 55.69 53.33 2wb1 s MET 893 Cb 0.03 0.30 0.07 0.00 1.25 0.00 0.00 34.83 36.47 2wb1 s MET 893 CO 0.62 -0.21 -0.07 -1.17 1.05 0.00 0.00 175.02 175.23 2wb1 s LEU 894 N -2.78 3.74 -0.25 4.11 2.96 -1.26 -2.11 118.68 123.09 2wb1 s LEU 894 Ca 0.04 -1.57 -0.08 0.00 -0.22 0.00 0.00 54.13 52.30 2wb1 s LEU 894 Cb 0.05 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 2wb1 s LEU 894 CO -0.10 -0.23 0.10 -0.63 -1.32 0.00 0.00 176.35 174.17 2wb1 s ILE 895 N 1.06 4.62 1.00 6.68 1.01 -0.89 -4.72 121.20 129.96 2wb1 s ILE 895 Ca -0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 2wb1 s ILE 895 Cb -0.20 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.13 2wb1 s ILE 895 CO -0.06 0.33 0.09 -2.65 0.00 0.00 0.00 174.94 172.65 2wb1 n PRO 896 N 4.77 -0.52 0.15 2.79 -0.02 -1.26 -1.51 135.00 139.39 2wb1 n PRO 896 Ca -0.16 -0.12 0.04 0.00 -2.02 0.00 0.00 63.50 61.24 2wb1 n PRO 896 Cb 0.52 -1.68 0.45 0.00 -0.02 0.00 0.00 33.50 32.77 2wb1 n PRO 896 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2wb1 h GLN 897 N -1.58 0.18 -0.24 -0.52 4.15 -1.95 -2.93 115.11 112.22 2wb1 h GLN 897 Ca -0.46 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 58.76 2wb1 h GLN 897 Cb 1.31 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.96 2wb1 h GLN 897 CO 0.33 0.28 -0.55 0.28 -1.93 0.00 0.00 178.83 177.25 2wb1 h VAL 898 N 0.17 1.30 -0.07 2.39 2.07 -1.95 -2.93 116.25 117.23 2wb1 h VAL 898 Ca 0.04 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2wb1 h VAL 898 Cb 0.28 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2wb1 h VAL 898 CO 0.02 0.56 0.00 0.47 0.02 0.00 0.00 177.57 178.64 2wb1 n ASP 899 N -3.98 0.83 -4.85 0.57 10.43 -1.11 -3.85 116.55 114.58 2wb1 n ASP 899 Ca -0.04 -1.52 -0.32 0.00 2.57 0.00 0.00 54.79 55.48 2wb1 n ASP 899 Cb 0.62 -0.05 -0.06 0.00 1.84 0.00 0.00 41.12 43.48 2wb1 n ASP 899 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 2wb1 s MET 900 N -1.91 3.95 -0.45 -1.24 -1.94 -1.11 -4.43 119.30 112.17 2wb1 s MET 900 Ca 0.32 0.61 -0.29 0.00 -1.71 0.00 0.00 55.69 54.62 2wb1 s MET 900 Cb 0.16 -2.44 0.01 0.00 2.01 0.00 0.00 34.83 34.57 2wb1 s MET 900 CO 0.25 0.14 1.40 -1.25 -0.01 0.00 0.00 175.02 175.55 2wb1 s PRO 901 N -3.11 3.52 0.26 2.03 0.04 -1.26 -3.03 135.00 133.46 2wb1 s PRO 901 Ca 0.53 0.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 2wb1 s PRO 901 Cb -0.10 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 2wb1 s PRO 901 CO 0.20 -1.63 0.49 1.52 0.04 0.00 0.00 177.00 177.62 2wb1 s TYR 902 N 5.52 3.48 0.36 0.56 1.13 -0.89 -4.43 117.35 123.08 2wb1 s TYR 902 Ca 0.59 0.51 0.07 0.00 -1.41 0.00 0.00 57.07 56.83 2wb1 s TYR 902 Cb -0.13 -2.00 -0.00 0.00 -1.10 0.00 0.00 41.96 38.73 2wb1 s TYR 902 CO 0.31 0.25 0.50 0.99 -2.51 0.00 0.00 175.55 175.09 2wb1 s THR 903 N -2.02 3.82 0.16 -3.49 2.01 -0.59 -0.79 115.64 114.74 2wb1 s THR 903 Ca 0.42 -0.97 -0.23 0.00 0.31 0.00 0.00 61.69 61.21 2wb1 s THR 903 Cb -0.11 -3.32 0.04 0.00 0.01 0.00 0.00 72.50 69.12 2wb1 s THR 903 CO 0.30 -0.13 1.62 0.58 -0.69 0.00 0.00 174.62 176.30 2wb1 h VAL 904 N 0.81 0.32 -3.81 3.82 2.07 -1.92 -2.79 116.25 114.76 2wb1 h VAL 904 Ca -0.44 0.00 -0.78 0.00 0.82 0.00 0.00 66.70 66.29 2wb1 h VAL 904 Cb 1.26 0.32 -0.27 0.00 -1.52 0.00 0.00 31.29 31.08 2wb1 h VAL 904 CO 0.51 0.00 0.07 -1.59 0.02 0.00 0.00 177.57 176.58 2wb1 s LYS 905 N -6.05 3.54 2.20 1.57 0.00 -1.26 -5.03 119.74 114.71 2wb1 s LYS 905 Ca -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 55.97 53.35 2wb1 s LYS 905 Cb 0.13 -4.38 0.00 0.00 0.00 0.00 0.00 37.83 33.57 2wb1 s LYS 905 CO 0.68 -1.28 0.00 0.41 0.00 0.00 0.00 175.35 175.16 2wb1 n GLY 906 N 3.93 1.93 2.69 0.59 0.00 -1.05 -4.99 105.19 108.29 2wb1 n GLY 906 Ca 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2wb1 n GLY 906 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wb1 n VAL 907 N 0.00-12.27 -3.24 1.61 0.31 -1.26 -1.54 118.33 101.94 2wb1 n VAL 907 Ca 0.00 2.15 -0.24 0.00 -0.01 0.00 0.00 64.34 66.25 2wb1 n VAL 907 Cb 0.00 -6.78 -0.00 0.00 -0.91 0.00 0.00 33.84 26.14 2wb1 n VAL 907 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2wb1 s VAL 908 N -1.32 4.75 0.58 2.52 -7.23 -1.26 -2.65 120.40 115.80 2wb1 s VAL 908 Ca -0.09 -0.47 -0.12 0.00 -1.81 0.00 0.00 61.98 59.49 2wb1 s VAL 908 Cb 0.01 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.16 2wb1 s VAL 908 CO 0.78 -0.49 1.00 -2.16 -0.31 0.00 0.00 175.10 173.92 2wb1 s PRO 909 N -4.40 3.69 -0.20 4.82 0.04 -1.26 -4.92 135.00 132.77 2wb1 s PRO 909 Ca 0.43 0.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.15 2wb1 s PRO 909 Cb -0.10 -2.12 -0.20 0.00 0.04 0.00 0.00 34.50 32.12 2wb1 s PRO 909 CO 0.37 -0.46 0.07 -0.25 0.04 0.00 0.00 177.00 176.76 2wb1 n ASP 910 N -2.39 2.01 -4.18 6.66 8.00 -0.05 -4.54 116.55 122.07 2wb1 n ASP 910 Ca 0.06 0.18 -0.25 0.00 0.71 0.00 0.00 54.79 55.48 2wb1 n ASP 910 Cb 0.54 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.73 2wb1 n ASP 910 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wb1 s VAL 911 N -2.50 1.44 -0.22 2.53 1.01 -0.99 0.31 120.40 121.98 2wb1 s VAL 911 Ca -0.30 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2wb1 s VAL 911 Cb 0.08 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2wb1 s VAL 911 CO 0.65 0.41 -0.07 -0.63 0.00 0.00 0.00 175.10 175.46 2wb1 s ILE 912 N -0.41 3.05 0.64 2.22 1.09 -0.00 -2.27 121.20 125.52 2wb1 s ILE 912 Ca 0.06 -0.72 -0.04 0.00 -1.10 0.00 0.00 60.65 58.86 2wb1 s ILE 912 Cb -0.07 -2.43 0.04 0.00 -1.06 0.00 0.00 42.46 38.94 2wb1 s ILE 912 CO -0.01 0.37 0.92 -0.22 -0.10 0.00 0.00 174.94 175.91 2wb1 s LEU 913 N 1.41 3.03 -0.21 2.97 0.20 -0.78 -3.11 118.68 122.19 2wb1 s LEU 913 Ca 0.04 0.39 -0.09 0.00 0.69 0.00 0.00 54.13 55.17 2wb1 s LEU 913 Cb -0.15 -3.14 -0.04 0.00 -0.43 0.00 0.00 46.19 42.43 2wb1 s LEU 913 CO -0.05 -1.35 0.10 0.21 -0.29 0.00 0.00 176.35 174.97 2wb1 s ASN 914 N -4.44 5.78 0.00 3.68 3.84 -1.26 -3.18 114.94 119.36 2wb1 s ASN 914 Ca 0.58 0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.71 2wb1 s ASN 914 Cb -0.11 -2.02 0.00 0.00 -0.55 0.00 0.00 41.25 38.58 2wb1 s ASN 914 CO 0.43 0.11 0.58 -0.81 -2.79 0.00 0.00 177.10 174.61 2wb1 n PRO 915 N 3.99 0.00 -0.02 0.43 -0.04 -1.26 -0.14 135.00 137.96 2wb1 n PRO 915 Ca -0.16 0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2wb1 n PRO 915 Cb 0.52 -1.55 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2wb1 n PRO 915 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wb1 n HIS 916 N -1.08 0.14 0.66 0.54 8.25 -1.26 -4.33 115.22 118.14 2wb1 n HIS 916 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2wb1 n HIS 916 Cb 0.05 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.47 2wb1 n HIS 916 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wb1 n ALA 917 N -2.38 2.01 0.05 -1.41 0.00 0.80 -4.29 120.51 115.30 2wb1 n ALA 917 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2wb1 n ALA 917 Cb 0.72 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2wb1 n ALA 917 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wb1 n LEU 918 N 0.23 0.68 0.29 0.00 4.77 -1.26 -4.70 117.00 117.00 2wb1 n LEU 918 Ca 0.00 0.16 0.18 0.00 -0.03 0.00 0.00 56.01 56.32 2wb1 n LEU 918 Cb 0.18 -0.15 0.76 0.00 -2.33 0.00 0.00 43.42 41.88 2wb1 n LEU 918 CO 0.00 -0.71 1.02 1.55 -1.33 0.00 0.00 177.39 177.92 2wb1 h PRO 919 N 0.00 0.00 -0.00 3.23 0.13 -1.83 0.47 132.00 134.00 2wb1 h PRO 919 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 2wb1 h PRO 919 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2wb1 h PRO 919 CO 0.00 0.00 -0.89 0.66 -0.23 0.00 0.00 178.00 177.55 2wb1 h SER 920 N 0.00 0.35 0.43 1.44 4.64 -1.88 -3.29 113.55 115.24 2wb1 h SER 920 Ca -0.00 -0.28 -0.25 0.00 -0.47 0.00 0.00 61.79 60.79 2wb1 h SER 920 Cb 0.45 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 2wb1 h SER 920 CO 0.00 1.08 -1.77 0.54 -0.87 0.00 0.00 176.83 175.81 2wb1 n ARG 921 N -3.70 0.64 -2.73 4.77 5.12 -1.00 -5.03 116.66 114.73 2wb1 n ARG 921 Ca -0.05 0.17 -0.10 0.00 -1.93 0.00 0.00 57.85 55.95 2wb1 n ARG 921 Cb 0.81 -1.72 0.05 0.00 -1.16 0.00 0.00 32.46 30.43 2wb1 n ARG 921 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2wb1 n MET 922 N -2.87 -2.75 -2.71 5.56 2.81 0.12 -4.54 117.12 112.73 2wb1 n MET 922 Ca -0.17 0.53 -0.40 0.00 -1.81 0.00 0.00 57.70 55.85 2wb1 n MET 922 Cb 0.97 -4.37 0.01 0.00 -0.71 0.00 0.00 33.22 29.12 2wb1 n MET 922 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2wb1 n THR 923 N -2.75 5.71 -0.22 2.03 -2.24 -1.25 -2.84 114.28 112.73 2wb1 n THR 923 Ca -0.11 -5.94 -0.02 0.00 -2.27 0.00 0.00 64.05 55.71 2wb1 n THR 923 Cb 0.59 -1.59 0.04 0.00 -2.10 0.00 0.00 70.33 67.27 2wb1 n THR 923 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wb1 h LEU 924 N 4.21 -0.88 -0.89 3.22 -0.00 -1.91 -1.68 115.31 117.38 2wb1 h LEU 924 Ca 0.46 0.22 0.25 0.00 -0.00 0.00 0.00 57.88 58.81 2wb1 h LEU 924 Cb 0.37 0.50 -0.17 0.00 -0.00 0.00 0.00 40.66 41.36 2wb1 h LEU 924 CO 1.16 -0.27 0.05 0.61 -0.00 0.00 0.00 178.44 179.99 2wb1 n GLY 925 N -1.45 -1.18 0.24 0.83 0.00 -1.26 0.04 105.19 102.42 2wb1 n GLY 925 Ca 0.07 0.86 0.01 0.00 0.00 0.00 0.00 46.02 46.95 2wb1 n GLY 925 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wb1 h GLN 926 N 0.00 0.05 -0.06 1.61 5.75 -1.65 0.69 115.11 121.50 2wb1 h GLN 926 Ca 0.55 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 59.03 2wb1 h GLN 926 Cb 1.16 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 2wb1 h GLN 926 CO -0.83 0.03 -0.03 0.82 -2.65 0.00 0.00 178.83 176.18 2wb1 h ILE 927 N 0.05 1.32 -0.94 2.39 1.08 -0.52 -2.81 117.51 118.08 2wb1 h ILE 927 Ca 0.32 -1.02 0.13 0.00 -0.39 0.00 0.00 64.86 63.91 2wb1 h ILE 927 Cb 0.52 1.89 -0.08 0.00 -3.07 0.00 0.00 36.82 36.08 2wb1 h ILE 927 CO -0.61 0.28 0.60 0.24 -0.69 0.00 0.00 178.15 177.97 2wb1 h MET 928 N -0.27 0.82 -0.83 2.37 2.86 -0.41 0.87 114.93 120.34 2wb1 h MET 928 Ca 0.01 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2wb1 h MET 928 Cb 0.46 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 2wb1 h MET 928 CO 0.01 0.54 0.46 1.49 1.06 0.00 0.00 176.91 180.47 2wb1 h GLU 929 N 0.84 1.16 -0.31 1.72 4.81 0.43 -2.42 114.58 120.81 2wb1 h GLU 929 Ca 0.47 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2wb1 h GLU 929 Cb 0.60 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2wb1 h GLU 929 CO -0.24 0.85 -0.10 0.78 -0.73 0.00 0.00 179.01 179.57 2wb1 h GLY 930 N 1.19 0.67 0.93 1.92 0.00 -0.60 0.81 103.07 107.99 2wb1 h GLY 930 Ca 0.29 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 47.08 2wb1 h GLY 930 CO -0.05 0.52 0.64 -2.22 0.00 0.00 0.00 176.54 175.43 2wb1 h ILE 931 N 0.38 1.20 0.00 2.60 2.04 -1.26 0.37 117.51 122.85 2wb1 h ILE 931 Ca 0.08 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 2wb1 h ILE 931 Cb 0.60 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2wb1 h ILE 931 CO 0.04 0.23 -1.05 0.00 0.00 0.00 0.00 178.15 177.36 2wb1 h ALA 932 N 1.38 0.56 -0.28 1.87 0.00 -1.41 -3.01 119.26 118.37 2wb1 h ALA 932 Ca 0.38 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2wb1 h ALA 932 Cb -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wb1 h ALA 932 CO -0.11 0.24 -0.32 0.78 0.00 0.00 0.00 179.25 179.85 2wb1 h GLY 933 N 3.92 0.66 0.67 0.00 0.00 0.13 0.20 103.07 108.64 2wb1 h GLY 933 Ca -0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 2wb1 h GLY 933 CO 0.01 0.55 -0.39 1.70 0.00 0.00 0.00 176.54 178.41 2wb1 h LYS 934 N 0.51 -0.95 -0.68 4.80 1.63 -0.37 -2.92 116.57 118.59 2wb1 h LYS 934 Ca 0.06 0.07 0.14 0.00 -0.85 0.00 0.00 60.65 60.06 2wb1 h LYS 934 Cb 0.81 0.22 -0.13 0.00 -0.60 0.00 0.00 32.23 32.53 2wb1 h LYS 934 CO 0.07 -0.64 -0.17 -0.92 -3.45 0.00 0.00 179.45 174.34 2wb1 h TYR 935 N -0.99 -0.36 -0.25 1.91 3.20 -1.35 0.11 116.97 119.24 2wb1 h TYR 935 Ca -0.09 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.89 2wb1 h TYR 935 Cb 0.79 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 2wb1 h TYR 935 CO -0.04 -0.29 -0.03 0.00 -1.64 0.00 0.00 178.16 176.16 2wb1 h ALA 936 N 1.68 0.20 0.00 1.82 0.00 -0.68 0.32 119.26 122.60 2wb1 h ALA 936 Ca 0.33 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2wb1 h ALA 936 Cb 0.50 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2wb1 h ALA 936 CO -0.70 -0.44 -0.07 0.00 0.00 0.00 0.00 179.25 178.03 2wb1 h ALA 937 N 1.23 0.98 0.12 0.00 0.00 -0.90 0.39 119.26 121.08 2wb1 h ALA 937 Ca 0.12 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2wb1 h ALA 937 Cb 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wb1 h ALA 937 CO -0.23 0.09 -0.77 -0.07 0.00 0.00 0.00 179.25 178.27 2wb1 h LEU 938 N 0.00 0.38 0.10 0.00 3.38 -0.16 -3.40 115.31 115.60 2wb1 h LEU 938 Ca -0.00 -0.94 -0.25 0.00 0.09 0.00 0.00 57.88 56.77 2wb1 h LEU 938 Cb 0.77 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2wb1 h LEU 938 CO 0.01 1.36 -1.30 0.77 0.09 0.00 0.00 178.44 179.37 2wb1 h SER 939 N -0.47 0.32 0.00 -0.43 4.64 -0.32 -3.49 113.55 113.80 2wb1 h SER 939 Ca -0.14 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 2wb1 h SER 939 Cb 1.56 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 2wb1 h SER 939 CO 0.11 1.57 0.00 0.61 -0.87 0.00 0.00 176.83 178.25 2wb1 n GLY 940 N 1.70 0.86 3.54 -0.77 0.00 0.14 -5.07 105.19 105.59 2wb1 n GLY 940 Ca -0.24 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2wb1 n GLY 940 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 941 N -2.12 4.96 0.44 1.61 0.02 -1.23 -5.03 114.94 113.58 2wb1 s ASN 941 Ca 0.00 -0.07 0.24 0.00 -1.02 0.00 0.00 52.86 52.01 2wb1 s ASN 941 Cb 0.00 -1.76 0.88 0.00 0.02 0.00 0.00 41.25 40.38 2wb1 s ASN 941 CO 0.00 0.20 1.81 0.16 0.02 0.00 0.00 177.10 179.28 2wb1 h ILE 942 N 4.98 0.53 -4.01 0.60 3.07 -1.97 -3.36 117.51 117.35 2wb1 h ILE 942 Ca -0.34 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 64.92 2wb1 h ILE 942 Cb 1.19 1.79 -0.02 0.00 -0.27 0.00 0.00 36.82 39.51 2wb1 h ILE 942 CO 0.63 0.22 -0.79 0.52 -1.05 0.00 0.00 178.15 177.68 2wb1 n VAL 943 N -3.36-10.10 -3.19 0.16 0.31 -1.26 -0.32 118.33 100.57 2wb1 n VAL 943 Ca 0.00 2.19 -0.40 0.00 -0.01 0.00 0.00 64.34 66.13 2wb1 n VAL 943 Cb 0.44 -5.30 -0.07 0.00 -0.91 0.00 0.00 33.84 28.01 2wb1 n VAL 943 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2wb1 s ASP 944 N -0.43 6.55 0.00 4.52 -4.77 -1.26 -0.78 116.67 120.50 2wb1 s ASP 944 Ca -0.04 0.67 0.23 0.00 -3.30 0.00 0.00 52.55 50.11 2wb1 s ASP 944 Cb 0.00 -2.31 0.49 0.00 -1.09 0.00 0.00 42.92 40.01 2wb1 s ASP 944 CO 0.11 -0.27 1.44 0.00 0.70 0.00 0.00 175.17 177.16 2wb1 n ALA 945 N 5.24 2.41 -0.38 2.11 0.00 0.69 -4.75 120.51 125.83 2wb1 n ALA 945 Ca -0.03 -1.06 -0.15 0.00 0.00 0.00 0.00 53.44 52.21 2wb1 n ALA 945 Cb 0.50 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 2wb1 n ALA 945 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wb1 n THR 946 N 1.51 0.00 -1.57 0.00 -1.04 -1.21 -2.60 114.28 109.37 2wb1 n THR 946 Ca 0.21 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.77 2wb1 n THR 946 Cb 0.60 -0.11 -0.02 0.00 -1.82 0.00 0.00 70.33 68.99 2wb1 n THR 946 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wb1 n PRO 947 N 0.92 1.24 -0.68 -2.82 -0.04 -1.26 -4.15 135.00 128.20 2wb1 n PRO 947 Ca 0.07 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2wb1 n PRO 947 Cb -0.01 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 2wb1 n PRO 947 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2wb1 n PHE 948 N 0.20 -1.72 0.00 0.54 3.72 -1.26 -4.71 117.46 114.23 2wb1 n PHE 948 Ca 0.10 0.90 0.00 0.00 -0.05 0.00 0.00 57.45 58.40 2wb1 n PHE 948 Cb 0.31 -2.30 0.00 0.00 -0.94 0.00 0.00 39.48 36.56 2wb1 n PHE 948 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2wb1 n TYR 949 N -0.11 0.00 -2.02 1.38 4.19 -1.26 -4.87 117.16 114.47 2wb1 n TYR 949 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2wb1 n TYR 949 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 2wb1 n TYR 949 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2wb1 n LYS 950 N 0.00 -2.41 -2.01 2.98 -0.00 -1.26 -3.87 118.16 111.59 2wb1 n LYS 950 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wb1 n LYS 950 Cb 0.00 -4.00 0.00 0.00 -0.00 0.00 0.00 35.03 31.03 2wb1 n LYS 950 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2wb1 n THR 951 N -1.98-13.18 -1.68 0.58 -1.04 -1.26 -4.76 114.28 90.96 2wb1 n THR 951 Ca 0.00 3.30 -0.46 0.00 -2.04 0.00 0.00 64.05 64.85 2wb1 n THR 951 Cb 0.36 -5.45 -0.04 0.00 -1.82 0.00 0.00 70.33 63.38 2wb1 n THR 951 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wb1 n PRO 952 N 1.83 2.24 0.26 -2.82 -0.02 -1.25 -4.90 135.00 130.33 2wb1 n PRO 952 Ca 0.00 0.81 0.12 0.00 -2.02 0.00 0.00 63.50 62.41 2wb1 n PRO 952 Cb 0.00 -2.60 0.78 0.00 -0.02 0.00 0.00 33.50 31.66 2wb1 n PRO 952 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2wb1 h ILE 953 N 3.76 0.74 -0.00 4.25 -2.65 -1.91 0.30 117.51 122.00 2wb1 h ILE 953 Ca -0.45 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.44 2wb1 h ILE 953 Cb 1.25 0.97 0.00 0.00 -2.05 0.00 0.00 36.82 36.99 2wb1 h ILE 953 CO 0.90 0.00 -0.04 -1.84 0.03 0.00 0.00 178.15 177.20 2wb1 n GLU 954 N -4.18 0.73 -0.00 0.16 0.28 -1.26 -2.52 120.64 113.84 2wb1 n GLU 954 Ca -0.02 -0.14 -0.12 0.00 -0.16 0.00 0.00 57.16 56.72 2wb1 n GLU 954 Cb 0.13 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.36 2wb1 n GLU 954 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2wb1 h GLN 955 N 0.35 0.07 0.00 3.44 4.15 -1.30 -3.21 115.11 118.61 2wb1 h GLN 955 Ca 0.00 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 2wb1 h GLN 955 Cb 0.26 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2wb1 h GLN 955 CO 0.00 0.71 -0.62 -0.07 -1.93 0.00 0.00 178.83 176.93 2wb1 h LEU 956 N 0.02 0.00 -0.93 -2.39 3.38 -1.56 -3.22 115.31 110.62 2wb1 h LEU 956 Ca -0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 2wb1 h LEU 956 Cb 2.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 2wb1 h LEU 956 CO 0.09 0.62 -0.41 1.56 0.09 0.00 0.00 178.44 180.38 2wb1 h GLN 957 N 0.00 0.25 -0.02 1.13 4.20 -1.55 0.97 115.11 120.10 2wb1 h GLN 957 Ca -0.01 -0.12 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 2wb1 h GLN 957 Cb 1.20 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 2wb1 h GLN 957 CO 0.08 0.62 -0.71 -0.91 -0.67 0.00 0.00 178.83 177.25 2wb1 h ASN 958 N 0.21 0.13 0.91 1.46 4.21 -1.64 -3.28 115.58 117.56 2wb1 h ASN 958 Ca 0.02 -0.09 -0.10 0.00 1.21 0.00 0.00 56.30 57.34 2wb1 h ASN 958 Cb 0.82 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.97 2wb1 h ASN 958 CO 0.06 0.79 -0.47 -0.33 -1.29 0.00 0.00 177.43 176.20 2wb1 h GLU 959 N 0.07 0.00 0.00 0.81 4.39 -1.22 -2.88 114.58 115.75 2wb1 h GLU 959 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2wb1 h GLU 959 Cb 1.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2wb1 h GLU 959 CO 0.10 0.47 -0.10 -0.84 -1.16 0.00 0.00 179.01 177.47 2wb1 h ILE 960 N 0.00 0.22 -0.32 3.13 3.07 -0.92 -3.19 117.51 119.49 2wb1 h ILE 960 Ca -0.00 -0.98 -0.12 0.00 1.55 0.00 0.00 64.86 65.30 2wb1 h ILE 960 Cb 1.05 1.82 -0.01 0.00 -0.27 0.00 0.00 36.82 39.40 2wb1 h ILE 960 CO 0.06 0.10 -0.30 0.25 -1.05 0.00 0.00 178.15 177.21 2wb1 h LEU 961 N 0.00 0.70 -0.30 0.16 6.46 -1.56 -3.13 115.31 117.64 2wb1 h LEU 961 Ca -0.00 -0.28 -0.18 0.00 -0.12 0.00 0.00 57.88 57.30 2wb1 h LEU 961 Cb 0.81 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 2wb1 h LEU 961 CO 0.01 0.96 -0.86 0.11 -0.62 0.00 0.00 178.44 178.04 2wb1 h LYS 962 N 0.58 0.05 0.00 1.25 1.57 -1.62 -3.23 116.57 115.18 2wb1 h LYS 962 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wb1 h LYS 962 Cb 0.80 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2wb1 h LYS 962 CO 0.07 0.87 0.00 0.66 -0.57 0.00 0.00 179.45 180.48 2wb1 n TYR 963 N -3.57 0.00 0.00 -1.35 4.02 -1.21 -4.80 117.16 110.25 2wb1 n TYR 963 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2wb1 n TYR 963 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.13 2wb1 n TYR 963 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wb1 n GLY 964 N 0.40 0.80 3.68 2.72 0.00 -1.22 -5.07 105.19 106.50 2wb1 n GLY 964 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2wb1 n GLY 964 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wb1 s TYR 965 N -2.00 2.09 0.15 1.61 1.51 -1.19 -5.08 117.35 114.44 2wb1 s TYR 965 Ca 0.00 -0.88 -0.30 0.00 -1.01 0.00 0.00 57.07 54.88 2wb1 s TYR 965 Cb 0.00 -1.62 -0.07 0.00 -0.11 0.00 0.00 41.96 40.17 2wb1 s TYR 965 CO 0.00 0.25 0.97 -0.51 -1.11 0.00 0.00 175.55 175.15 2wb1 s LEU 966 N -3.78 4.53 0.41 -1.29 1.43 -1.26 -3.55 118.68 115.17 2wb1 s LEU 966 Ca 0.19 1.86 0.12 0.00 -1.03 0.00 0.00 54.13 55.27 2wb1 s LEU 966 Cb 0.05 -3.60 0.88 0.00 0.03 0.00 0.00 46.19 43.56 2wb1 s LEU 966 CO 0.10 -0.03 1.94 1.55 0.23 0.00 0.00 176.35 180.14 2wb1 h PRO 967 N 5.18 0.10 -0.75 1.29 0.13 -1.84 -1.63 132.00 134.48 2wb1 h PRO 967 Ca -0.44 -0.02 0.21 0.00 -0.87 0.00 0.00 66.00 64.88 2wb1 h PRO 967 Cb 1.21 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2wb1 h PRO 967 CO 0.71 0.28 0.53 0.22 -0.23 0.00 0.00 178.00 179.51 2wb1 h ASP 968 N 0.09 0.07 -0.03 1.44 -0.00 -1.93 -3.46 116.42 112.61 2wb1 h ASP 968 Ca 0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.04 2wb1 h ASP 968 Cb 0.38 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 39.70 2wb1 h ASP 968 CO 0.03 0.03 -0.01 0.00 -0.00 0.00 0.00 179.24 179.29 2wb1 n ALA 969 N -2.65 -0.01 -4.10 -0.78 0.00 -0.61 -5.02 120.51 107.33 2wb1 n ALA 969 Ca 0.15 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 2wb1 n ALA 969 Cb 0.77 -0.38 -0.16 0.00 0.00 0.00 0.00 19.45 19.68 2wb1 n ALA 969 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wb1 s THR 970 N -1.84 2.11 0.62 0.00 -4.23 -1.26 -2.06 115.64 108.98 2wb1 s THR 970 Ca 0.00 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 2wb1 s THR 970 Cb 0.00 -1.89 0.11 0.00 1.34 0.00 0.00 72.50 72.06 2wb1 s THR 970 CO 0.00 0.52 0.86 -0.62 -0.54 0.00 0.00 174.62 174.84 2wb1 n GLU 971 N 4.62 0.37 -3.55 3.99 1.02 0.71 -4.76 120.64 123.04 2wb1 n GLU 971 Ca -0.21 -2.97 -0.38 0.00 -0.02 0.00 0.00 57.16 53.59 2wb1 n GLU 971 Cb 0.50 -0.38 -0.10 0.00 -0.02 0.00 0.00 31.44 31.44 2wb1 n GLU 971 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wb1 s VAL 972 N -2.73 5.28 0.24 2.62 0.11 -1.26 -0.19 120.40 124.47 2wb1 s VAL 972 Ca 0.62 0.27 0.11 0.00 -2.93 0.00 0.00 61.98 60.05 2wb1 s VAL 972 Cb -0.04 -3.57 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 2wb1 s VAL 972 CO 0.40 0.24 -0.19 0.42 -3.33 0.00 0.00 175.10 172.64 2wb1 s THR 973 N 1.75 2.26 -0.03 5.04 -4.23 -1.26 -3.36 115.64 115.81 2wb1 s THR 973 Ca 0.09 -2.27 0.04 0.00 -1.18 0.00 0.00 61.69 58.36 2wb1 s THR 973 Cb -0.16 -2.18 -0.00 0.00 1.34 0.00 0.00 72.50 71.50 2wb1 s THR 973 CO 0.10 -0.39 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.35 2wb1 s TYR 974 N -2.44 1.34 -0.58 3.99 1.51 0.03 -1.78 117.35 119.42 2wb1 s TYR 974 Ca 0.26 -0.34 -0.27 0.00 -1.01 0.00 0.00 57.07 55.72 2wb1 s TYR 974 Cb -0.05 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.87 2wb1 s TYR 974 CO 0.12 -0.11 1.89 0.34 -1.11 0.00 0.00 175.55 176.69 2wb1 s ASP 975 N -0.01 5.26 0.58 2.29 3.68 -0.24 -2.10 116.67 126.13 2wb1 s ASP 975 Ca -0.01 0.45 0.28 0.00 2.13 0.00 0.00 52.55 55.40 2wb1 s ASP 975 Cb -0.09 -2.53 1.62 0.00 -1.45 0.00 0.00 42.92 40.48 2wb1 s ASP 975 CO 0.01 -2.37 2.08 1.23 0.13 0.00 0.00 175.17 176.26 2wb1 h GLY 976 N 16.46 0.00 0.71 2.66 0.00 -1.78 0.71 103.07 121.84 2wb1 h GLY 976 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 2wb1 h GLY 976 CO 1.20 0.00 -0.43 0.07 0.00 0.00 0.00 176.54 177.38 2wb1 h ARG 977 N 0.00 0.36 0.00 4.80 -0.00 -1.78 -3.40 114.38 114.37 2wb1 h ARG 977 Ca 0.10 -0.34 0.00 0.00 -0.00 0.00 0.00 59.98 59.74 2wb1 h ARG 977 Cb 0.54 0.08 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 2wb1 h ARG 977 CO -0.00 1.00 -0.28 0.00 -0.00 0.00 0.00 179.97 180.68 2wb1 h THR 978 N -0.15 0.00 0.00 0.08 1.03 -1.80 -3.50 112.91 108.58 2wb1 h THR 978 Ca -0.04 -0.99 0.00 0.00 -0.01 0.00 0.00 66.41 65.37 2wb1 h THR 978 Cb 1.11 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 2wb1 h THR 978 CO 0.09 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.21 2wb1 n GLY 979 N 1.69 1.06 3.87 2.99 0.00 0.24 -5.07 105.19 109.97 2wb1 n GLY 979 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2wb1 n GLY 979 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wb1 s GLN 980 N 0.00 3.84 0.04 1.61 -2.07 -1.25 -4.81 119.66 117.02 2wb1 s GLN 980 Ca 0.00 0.35 -0.30 0.00 -1.82 0.00 0.00 55.36 53.59 2wb1 s GLN 980 Cb 0.00 -2.60 -0.04 0.00 -1.09 0.00 0.00 33.01 29.28 2wb1 s GLN 980 CO 0.00 0.28 1.02 -1.59 -1.32 0.00 0.00 175.29 173.68 2wb1 s LYS 981 N -2.88 4.56 0.65 9.60 -2.85 -1.26 -1.08 119.74 126.48 2wb1 s LYS 981 Ca 0.49 1.50 -0.18 0.00 -1.00 0.00 0.00 55.97 56.78 2wb1 s LYS 981 Cb -0.11 -3.42 -0.01 0.00 -2.06 0.00 0.00 37.83 32.23 2wb1 s LYS 981 CO 0.21 -0.03 1.30 0.96 0.10 0.00 0.00 175.35 177.88 2wb1 s ILE 982 N 0.78 2.01 -2.10 3.79 -5.25 -0.73 -4.89 121.20 114.80 2wb1 s ILE 982 Ca 0.52 0.01 0.15 0.00 -0.99 0.00 0.00 60.65 60.34 2wb1 s ILE 982 Cb -0.23 -3.00 0.37 0.00 2.95 0.00 0.00 42.46 42.55 2wb1 s ILE 982 CO 0.29 -0.00 1.37 1.17 -1.79 0.00 0.00 174.94 175.98 2wb1 n LYS 983 N -1.93 1.80 0.00 0.37 4.81 -1.26 -4.40 118.16 117.56 2wb1 n LYS 983 Ca 0.16 -1.24 0.00 0.00 -0.87 0.00 0.00 58.31 56.36 2wb1 n LYS 983 Cb 0.48 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.21 2wb1 n LYS 983 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2wb1 n SER 984 N 0.48 2.71 -0.81 3.14 2.88 -1.26 -5.14 113.62 115.63 2wb1 n SER 984 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2wb1 n SER 984 Cb 0.32 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 2wb1 n SER 984 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wb1 n ARG 985 N -1.14 -0.41 -3.89 -1.46 1.74 -1.26 -5.07 116.66 105.18 2wb1 n ARG 985 Ca 0.00 0.76 -0.35 0.00 -0.77 0.00 0.00 57.85 57.48 2wb1 n ARG 985 Cb 0.18 -0.51 -0.05 0.00 -1.02 0.00 0.00 32.46 31.05 2wb1 n ARG 985 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wb1 s ILE 986 N -0.04 5.47 -0.12 0.55 -1.09 0.73 -4.84 121.20 121.86 2wb1 s ILE 986 Ca 0.00 0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.18 2wb1 s ILE 986 Cb 0.00 -3.46 -0.07 0.00 -1.58 0.00 0.00 42.46 37.34 2wb1 s ILE 986 CO 0.00 0.49 2.11 0.00 -1.23 0.00 0.00 174.94 176.31 2wb1 n TYR 987 N 1.52 2.19 -3.99 3.97 4.19 -1.26 -0.21 117.16 123.56 2wb1 n TYR 987 Ca -0.16 -0.22 -0.30 0.00 3.31 0.00 0.00 57.90 60.53 2wb1 n TYR 987 Cb 0.54 -2.75 -0.16 0.00 0.49 0.00 0.00 39.34 37.46 2wb1 n TYR 987 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2wb1 s PHE 988 N 6.62 2.39 0.16 2.98 0.40 -0.87 -2.71 117.98 126.95 2wb1 s PHE 988 Ca 0.96 -1.57 -0.18 0.00 -0.60 0.00 0.00 56.93 55.54 2wb1 s PHE 988 Cb -0.40 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.54 2wb1 s PHE 988 CO 0.39 -0.74 0.50 0.20 0.70 0.00 0.00 175.22 176.27 2wb1 s GLY 989 N 1.40 -0.29 -0.06 4.36 0.00 -0.92 -4.60 107.32 107.21 2wb1 s GLY 989 Ca -0.01 0.02 -0.16 0.00 0.00 0.00 0.00 44.72 44.57 2wb1 s GLY 989 CO -0.08 -0.17 0.44 0.14 0.00 0.00 0.00 173.10 173.43 2wb1 s VAL 990 N -3.82 5.09 -0.03 1.40 1.01 -1.17 -0.07 120.40 122.81 2wb1 s VAL 990 Ca 0.05 0.89 0.01 0.00 0.00 0.00 0.00 61.98 62.93 2wb1 s VAL 990 Cb -0.00 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2wb1 s VAL 990 CO -0.09 0.46 -0.01 -0.69 0.00 0.00 0.00 175.10 174.77 2wb1 s VAL 991 N -0.25 0.22 -0.15 2.92 1.01 0.01 -3.01 120.40 121.14 2wb1 s VAL 991 Ca 0.24 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 2wb1 s VAL 991 Cb -0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2wb1 s VAL 991 CO 0.12 0.14 1.30 -0.47 0.00 0.00 0.00 175.10 176.19 2wb1 s TYR 992 N 0.88 2.77 -0.02 5.22 5.04 -1.26 -1.43 117.35 128.54 2wb1 s TYR 992 Ca -0.09 0.93 0.07 0.00 -2.44 0.00 0.00 57.07 55.54 2wb1 s TYR 992 Cb -0.12 -3.54 -0.02 0.00 0.35 0.00 0.00 41.96 38.62 2wb1 s TYR 992 CO -0.01 -1.90 -0.24 0.71 -1.34 0.00 0.00 175.55 172.77 2wb1 s TYR 993 N 3.53 2.40 -0.09 4.97 2.02 0.35 -3.94 117.35 126.59 2wb1 s TYR 993 Ca 0.56 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.91 2wb1 s TYR 993 Cb -0.23 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 2wb1 s TYR 993 CO 0.16 0.00 -0.20 1.14 -1.57 0.00 0.00 175.55 175.08 2wb1 s GLN 994 N -0.63 2.89 -0.20 -0.62 -2.07 -0.44 -1.40 119.66 117.19 2wb1 s GLN 994 Ca 0.10 -0.81 -0.16 0.00 -1.82 0.00 0.00 55.36 52.67 2wb1 s GLN 994 Cb -0.10 -2.35 -0.04 0.00 -1.09 0.00 0.00 33.01 29.43 2wb1 s GLN 994 CO -0.01 0.32 0.41 0.21 -1.32 0.00 0.00 175.29 174.91 2wb1 s LYS 995 N 0.02 4.18 0.27 9.60 2.20 -1.26 -1.08 119.74 133.67 2wb1 s LYS 995 Ca -0.07 0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.76 2wb1 s LYS 995 Cb -0.15 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2wb1 s LYS 995 CO 0.05 -0.05 0.47 -0.51 -0.36 0.00 0.00 175.35 174.95 2wb1 s LEU 996 N 1.34 4.14 0.51 5.43 1.02 -0.33 -2.44 118.68 128.34 2wb1 s LEU 996 Ca 0.20 0.45 0.34 0.00 0.02 0.00 0.00 54.13 55.14 2wb1 s LEU 996 Cb -0.15 -3.26 1.60 0.00 0.02 0.00 0.00 46.19 44.40 2wb1 s LEU 996 CO 0.08 -0.15 2.02 1.12 0.02 0.00 0.00 176.35 179.44 2wb1 h HIS 997 N 1.50 0.00 -1.10 0.29 2.07 -1.75 -3.41 115.15 112.75 2wb1 h HIS 997 Ca -0.49 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 56.73 2wb1 h HIS 997 Cb 1.20 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.16 2wb1 h HIS 997 CO 0.54 0.00 0.87 -1.01 -3.07 0.00 0.00 177.93 175.26 2wb1 s HIS 998 N -3.74 1.44 -0.01 6.12 3.76 -1.26 -4.93 115.29 116.67 2wb1 s HIS 998 Ca -0.01 1.22 0.07 0.00 -0.15 0.00 0.00 55.06 56.20 2wb1 s HIS 998 Cb 0.10 -3.80 -0.02 0.00 1.11 0.00 0.00 32.58 29.97 2wb1 s HIS 998 CO 0.44 -1.99 -0.23 -1.64 -0.85 0.00 0.00 174.74 170.47 2wb1 s MET 999 N 7.78 2.14 0.45 1.40 -1.94 -1.26 -2.34 119.30 125.52 2wb1 s MET 999 Ca 0.81 -0.91 0.12 0.00 -1.71 0.00 0.00 55.69 54.00 2wb1 s MET 999 Cb -0.12 -2.11 1.03 0.00 2.01 0.00 0.00 34.83 35.64 2wb1 s MET 999 CO 0.12 0.57 2.04 -0.24 -0.01 0.00 0.00 175.02 177.49 2wb1 h VAL 1000N 4.39 0.98 -0.61 -6.03 3.04 -1.92 -0.37 116.25 115.73 2wb1 h VAL 1000Ca -0.44 -0.13 0.04 0.00 -1.01 0.00 0.00 66.70 65.16 2wb1 h VAL 1000Cb 1.13 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 30.96 2wb1 h VAL 1000CO 0.47 0.07 0.40 0.00 -1.01 0.00 0.00 177.57 177.50 2wb1 h ALA 1001N 1.77 1.70 0.00 3.17 0.00 -1.95 0.20 119.26 124.15 2wb1 h ALA 1001Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wb1 h ALA 1001Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wb1 h ALA 1001CO -0.04 0.23 -0.16 -0.44 0.00 0.00 0.00 179.25 178.85 2wb1 h ASP 1002N 0.70 0.00 0.00 0.00 3.45 -1.47 -3.36 116.42 115.74 2wb1 h ASP 1002Ca 0.25 -0.03 -0.36 0.00 0.43 0.00 0.00 57.03 57.32 2wb1 h ASP 1002Cb 0.11 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.81 2wb1 h ASP 1002CO -0.07 0.02 -2.36 0.29 -1.57 0.00 0.00 179.24 175.54 2wb1 n LYS 1003N -2.50 0.73 -1.68 3.56 4.76 -0.19 -4.97 118.16 117.87 2wb1 n LYS 1003Ca 0.04 -0.01 -0.44 0.00 -2.87 0.00 0.00 58.31 55.04 2wb1 n LYS 1003Cb 0.47 -1.51 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 2wb1 n LYS 1003CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2wb1 n ILE 1004N -2.73 1.58 -3.07 -0.18 3.06 0.54 -4.97 119.36 113.58 2wb1 n ILE 1004Ca -0.32 -0.39 0.04 0.00 -2.50 0.00 0.00 62.75 59.58 2wb1 n ILE 1004Cb 1.14 -1.49 0.00 0.00 0.54 0.00 0.00 39.64 39.83 2wb1 n ILE 1004CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 2wb1 s HIS 1005N -0.67 -0.59 -0.07 9.51 5.65 -1.26 -5.01 115.29 122.85 2wb1 s HIS 1005Ca 0.61 0.29 0.04 0.00 0.25 0.00 0.00 55.06 56.25 2wb1 s HIS 1005Cb -0.61 0.10 -0.00 0.00 -1.18 0.00 0.00 32.58 30.89 2wb1 s HIS 1005CO 0.57 -0.36 -0.20 0.00 -0.65 0.00 0.00 174.74 174.10 2wb1 s ALA 1006N 2.71 1.80 -0.36 1.58 0.00 -1.26 -5.06 121.76 121.16 2wb1 s ALA 1006Ca 0.24 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2wb1 s ALA 1006Cb -0.01 -0.63 0.11 0.00 0.00 0.00 0.00 23.12 22.59 2wb1 s ALA 1006CO -0.21 0.28 0.15 1.03 0.00 0.00 0.00 175.76 177.02 2wb1 s ARG 1007N 0.18 0.98 -0.00 0.00 0.52 -1.26 -4.97 118.95 114.40 2wb1 s ARG 1007Ca -0.10 -1.50 -0.12 0.00 -0.52 0.00 0.00 55.73 53.49 2wb1 s ARG 1007Cb -0.14 -2.19 -0.07 0.00 0.52 0.00 0.00 34.95 33.07 2wb1 s ARG 1007CO 0.05 -1.06 0.76 0.00 0.02 0.00 0.00 175.30 175.07 2wb1 h ALA 1008N 7.49 -0.70 -1.67 2.13 0.00 -2.00 -3.44 119.26 121.08 2wb1 h ALA 1008Ca -0.07 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 2wb1 h ALA 1008Cb 0.98 0.17 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 2wb1 h ALA 1008CO 0.47 -0.67 -0.60 0.50 0.00 0.00 0.00 179.25 178.96 2wb1 s ARG 1009N -3.25 0.63 0.40 0.00 3.52 -1.26 -5.05 118.95 113.94 2wb1 s ARG 1009Ca -0.06 -0.49 0.06 0.00 -0.13 0.00 0.00 55.73 55.10 2wb1 s ARG 1009Cb 0.01 -0.43 0.06 0.00 -1.56 0.00 0.00 34.95 33.02 2wb1 s ARG 1009CO 0.19 -1.16 0.46 0.41 -0.81 0.00 0.00 175.30 174.39 2wb1 n GLY 1010N 4.55 2.28 3.74 8.12 0.00 -1.17 -4.94 105.19 117.77 2wb1 n GLY 1010Ca 0.09 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 2wb1 n GLY 1010CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wb1 s PRO 1011N -3.74 1.93 0.31 1.61 0.04 -1.26 -4.80 135.00 129.09 2wb1 s PRO 1011Ca 0.35 1.20 0.10 0.00 0.04 0.00 0.00 61.00 62.69 2wb1 s PRO 1011Cb -0.03 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2wb1 s PRO 1011CO 0.22 -1.89 -0.05 0.14 0.04 0.00 0.00 177.00 175.47 2wb1 s VAL 1012N -2.86 2.79 0.08 -0.36 -7.23 -1.26 -2.68 120.40 108.88 2wb1 s VAL 1012Ca 0.62 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 2wb1 s VAL 1012Cb -0.18 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 2wb1 s VAL 1012CO 0.57 -0.29 1.01 -1.10 -0.31 0.00 0.00 175.10 174.97 2wb1 s GLN 1013N -3.65 4.61 0.00 4.82 -0.21 -0.55 -4.84 119.66 119.84 2wb1 s GLN 1013Ca 0.33 1.51 0.08 0.00 0.02 0.00 0.00 55.36 57.29 2wb1 s GLN 1013Cb -0.03 -3.39 0.37 0.00 1.00 0.00 0.00 33.01 30.97 2wb1 s GLN 1013CO 0.18 0.06 1.20 0.44 -2.12 0.00 0.00 175.29 175.05 2wb1 n ILE 1014N 3.23 1.17 -0.11 1.08 -5.35 -1.26 -0.39 119.36 117.73 2wb1 n ILE 1014Ca 0.04 0.29 -0.25 0.00 -0.27 0.00 0.00 62.75 62.57 2wb1 n ILE 1014Cb 0.49 -1.16 -0.11 0.00 -1.74 0.00 0.00 39.64 37.12 2wb1 n ILE 1014CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 2wb1 n LEU 1015N -1.40 2.16 -0.00 7.28 -0.00 -1.26 -4.65 117.00 119.13 2wb1 n LEU 1015Ca 0.03 0.28 0.08 0.00 -0.00 0.00 0.00 56.01 56.40 2wb1 n LEU 1015Cb 0.08 -0.92 -0.11 0.00 -0.00 0.00 0.00 43.42 42.48 2wb1 n LEU 1015CO 0.07 0.57 -0.12 0.35 -0.00 0.00 0.00 177.39 178.26 2wb1 n THR 1016N -4.07 0.00 -4.05 1.96 -2.24 -1.09 -4.98 114.28 99.81 2wb1 n THR 1016Ca -0.44 -0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 60.91 2wb1 n THR 1016Cb 0.86 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.98 2wb1 n THR 1016CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wb1 n ARG 1017N -1.50 -4.00 -4.40 -0.78 3.00 0.48 -4.49 116.66 104.97 2wb1 n ARG 1017Ca 0.03 0.46 -0.25 0.00 -0.01 0.00 0.00 57.85 58.07 2wb1 n ARG 1017Cb 0.30 -5.11 -0.13 0.00 0.00 0.00 0.00 32.46 27.52 2wb1 n ARG 1017CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2wb1 s GLN 1018N -6.72 1.25 0.33 5.56 -0.21 -1.25 -4.50 119.66 114.13 2wb1 s GLN 1018Ca 0.54 -1.15 -0.28 0.00 0.02 0.00 0.00 55.36 54.50 2wb1 s GLN 1018Cb -0.29 -1.53 -0.13 0.00 1.00 0.00 0.00 33.01 32.07 2wb1 s GLN 1018CO 0.89 0.37 1.19 -2.30 -2.12 0.00 0.00 175.29 173.31 2wb1 n PRO 1019N 1.24 1.85 -1.62 2.91 -0.02 -1.26 -1.48 135.00 136.61 2wb1 n PRO 1019Ca -0.19 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 2wb1 n PRO 1019Cb 0.53 -2.17 0.07 0.00 -0.02 0.00 0.00 33.50 31.91 2wb1 n PRO 1019CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2wb1 s THR 1020N -1.10 2.75 -0.05 3.45 -4.23 -1.09 -4.65 115.64 110.73 2wb1 s THR 1020Ca 0.57 0.37 -0.15 0.00 -1.18 0.00 0.00 61.69 61.29 2wb1 s THR 1020Cb -0.61 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.26 2wb1 s THR 1020CO 0.61 -0.20 0.40 -0.70 -0.54 0.00 0.00 174.62 174.19 2wb1 s GLU 1021N -3.94 4.05 0.00 3.99 -6.30 -1.26 -3.29 118.70 111.95 2wb1 s GLU 1021Ca 0.71 0.36 0.00 0.00 -2.50 0.00 0.00 54.97 53.54 2wb1 s GLU 1021Cb -0.25 -3.30 0.00 0.00 0.00 0.00 0.00 34.13 30.58 2wb1 s GLU 1021CO 0.42 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.62 2wb1 n GLY 1022N 2.37 3.09 0.25 -1.50 0.00 -1.26 -4.74 105.19 103.39 2wb1 n GLY 1022Ca -0.12 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 2wb1 n GLY 1022CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wb1 h ARG 1023N 0.00 -0.55 -0.78 1.61 2.43 -1.95 -2.36 114.38 112.79 2wb1 h ARG 1023Ca 0.00 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 2wb1 h ARG 1023Cb 0.00 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2wb1 h ARG 1023CO 0.00 -0.32 0.51 0.00 -1.51 0.00 0.00 179.97 178.65 2wb1 h ALA 1024N -0.09 1.74 -0.64 2.80 0.00 -1.99 0.75 119.26 121.82 2wb1 h ALA 1024Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wb1 h ALA 1024Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wb1 h ALA 1024CO 0.10 0.11 0.00 0.54 0.00 0.00 0.00 179.25 180.00 2wb1 n ARG 1025N -4.50 3.33 0.00 0.00 1.74 -1.24 -4.37 116.66 111.62 2wb1 n ARG 1025Ca 0.13 -2.75 0.00 0.00 -0.77 0.00 0.00 57.85 54.45 2wb1 n ARG 1025Cb 0.30 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2wb1 n ARG 1025CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2wb1 n GLU 1026N 1.19 0.00 0.00 5.56 0.00 0.25 -4.66 120.64 122.98 2wb1 n GLU 1026Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.40 2wb1 n GLU 1026Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.21 2wb1 n GLU 1026CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wb1 n GLY 1027N 0.00 2.09 0.00 -1.84 0.00 -1.26 -4.07 105.19 100.11 2wb1 n GLY 1027Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2wb1 n GLY 1027CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 1028N 0.00 1.00 0.00 -0.02 0.00 -1.21 -3.04 105.19 101.92 2wb1 n GLY 1028Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wb1 n GLY 1028CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wb1 n LEU 1029N 0.00 0.00 -4.02 0.99 4.77 -1.26 -4.62 117.00 112.87 2wb1 n LEU 1029Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2wb1 n LEU 1029Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2wb1 n LEU 1029CO 0.00 0.00 -0.37 -0.60 -1.33 0.00 0.00 177.39 175.09 2wb1 s ARG 1030N 0.00 0.41 -0.38 3.23 3.52 -1.26 -4.97 118.95 119.49 2wb1 s ARG 1030Ca 0.00 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 2wb1 s ARG 1030Cb 0.00 -0.01 0.15 0.00 -1.56 0.00 0.00 34.95 33.54 2wb1 s ARG 1030CO 0.00 -0.02 0.28 0.12 -0.81 0.00 0.00 175.30 174.86 2wb1 s PHE 1031N -1.65 0.93 1.16 5.12 5.36 -1.26 -5.10 117.98 122.54 2wb1 s PHE 1031Ca -0.12 -1.99 -0.19 0.00 -0.96 0.00 0.00 56.93 53.67 2wb1 s PHE 1031Cb -0.08 -0.94 0.27 0.00 -0.34 0.00 0.00 43.02 41.93 2wb1 s PHE 1031CO -0.01 -0.83 1.15 0.20 -1.46 0.00 0.00 175.22 174.27 2wb1 s GLY 1032N 0.55 1.62 0.40 13.12 0.00 -1.26 -4.76 107.32 116.99 2wb1 s GLY 1032Ca 0.25 -1.01 0.11 0.00 0.00 0.00 0.00 44.72 44.07 2wb1 s GLY 1032CO -0.09 -0.14 1.95 0.83 0.00 0.00 0.00 173.10 175.64 2wb1 h GLU 1033N -2.43 0.52 0.00 2.90 3.07 -2.00 -0.84 114.58 115.81 2wb1 h GLU 1033Ca -0.44 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.34 2wb1 h GLU 1033Cb 1.28 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2wb1 h GLU 1033CO 0.34 0.35 -0.23 0.52 -1.40 0.00 0.00 179.01 178.59 2wb1 h MET 1034N 0.54 0.00 0.00 2.33 2.86 -2.00 -2.65 114.93 116.01 2wb1 h MET 1034Ca 0.32 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.85 2wb1 h MET 1034Cb 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2wb1 h MET 1034CO -0.11 0.23 -1.09 0.93 1.06 0.00 0.00 176.91 177.92 2wb1 h GLU 1035N 0.00 0.00 -0.15 1.72 3.07 -1.49 -3.02 114.58 114.71 2wb1 h GLU 1035Ca -0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 2wb1 h GLU 1035Cb 0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 2wb1 h GLU 1035CO 0.03 0.25 -0.40 0.07 -1.40 0.00 0.00 179.01 177.57 2wb1 h ARG 1036N 0.00 0.34 -0.77 2.33 0.11 -1.29 -2.97 114.38 112.13 2wb1 h ARG 1036Ca -0.09 -0.16 0.03 0.00 0.10 0.00 0.00 59.98 59.86 2wb1 h ARG 1036Cb 1.40 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.43 2wb1 h ARG 1036CO 0.04 0.68 0.49 -0.44 0.10 0.00 0.00 179.97 180.84 2wb1 h ASP 1037N 0.28 0.81 -0.89 0.08 3.45 -1.39 0.14 116.42 118.90 2wb1 h ASP 1037Ca 0.03 -0.00 0.18 0.00 0.43 0.00 0.00 57.03 57.67 2wb1 h ASP 1037Cb 0.83 -0.18 -0.11 0.00 -0.56 0.00 0.00 39.33 39.31 2wb1 h ASP 1037CO 0.07 0.56 0.45 0.00 -1.57 0.00 0.00 179.24 178.75 2wb1 h LEU 1039N 0.56 -0.02 -1.35 0.00 3.38 -0.77 -2.94 115.31 114.17 2wb1 h LEU 1039Ca 0.52 -0.76 0.22 0.00 0.09 0.00 0.00 57.88 57.95 2wb1 h LEU 1039Cb 0.87 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 2wb1 h LEU 1039CO -0.43 0.82 0.63 0.40 0.09 0.00 0.00 178.44 179.94 2wb1 h ILE 1040N -0.92 0.64 -0.95 1.22 2.04 -0.83 -0.03 117.51 118.68 2wb1 h ILE 1040Ca -0.00 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.77 2wb1 h ILE 1040Cb 0.77 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2wb1 h ILE 1040CO 0.00 0.09 0.61 1.23 0.00 0.00 0.00 178.15 180.09 2wb1 h GLY 1041N 0.49 1.43 1.62 5.37 0.00 -0.73 -1.45 103.07 109.80 2wb1 h GLY 1041Ca 0.53 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 2wb1 h GLY 1041CO -0.26 0.27 -0.89 0.74 0.00 0.00 0.00 176.54 176.40 2wb1 h PHE 1042N 1.04 0.00 0.00 5.60 -1.00 -0.88 -3.48 116.94 118.23 2wb1 h PHE 1042Ca 0.42 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.20 2wb1 h PHE 1042Cb 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.83 2wb1 h PHE 1042CO -0.00 0.58 0.00 0.41 -1.61 0.00 0.00 178.31 177.69 2wb1 n GLY 1043N 1.30 2.56 3.53 -1.45 0.00 -0.43 -4.98 105.19 105.73 2wb1 n GLY 1043Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2wb1 n GLY 1043CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wb1 n THR 1044N -2.00 -0.01 0.09 2.61 5.66 -1.24 -4.78 114.28 114.61 2wb1 n THR 1044Ca 0.00 -0.49 -0.07 0.00 -3.05 0.00 0.00 64.05 60.44 2wb1 n THR 1044Cb 0.00 -1.14 0.00 0.00 -1.55 0.00 0.00 70.33 67.65 2wb1 n THR 1044CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wb1 h ALA 1045N 12.47 0.56 0.00 1.79 0.00 -1.93 -3.01 119.26 129.14 2wb1 h ALA 1045Ca -0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 54.91 53.99 2wb1 h ALA 1045Cb 1.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2wb1 h ALA 1045CO 1.30 0.93 -0.91 0.52 0.00 0.00 0.00 179.25 181.09 2wb1 h MET 1046N 0.08 0.02 -0.15 0.00 2.86 -2.00 -3.09 114.93 112.65 2wb1 h MET 1046Ca -0.03 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2wb1 h MET 1046Cb 1.48 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.14 2wb1 h MET 1046CO 0.13 0.91 -0.02 1.25 1.06 0.00 0.00 176.91 180.24 2wb1 h LEU 1047N 0.01 0.28 -0.95 1.22 5.85 -1.94 -1.43 115.31 118.34 2wb1 h LEU 1047Ca -0.01 -0.34 0.15 0.00 0.84 0.00 0.00 57.88 58.51 2wb1 h LEU 1047Cb 1.60 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.46 2wb1 h LEU 1047CO 0.12 0.55 0.57 0.25 -0.34 0.00 0.00 178.44 179.59 2wb1 h LEU 1048N -0.01 0.76 0.07 2.25 6.46 -1.56 -2.25 115.31 121.04 2wb1 h LEU 1048Ca 0.04 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2wb1 h LEU 1048Cb 0.42 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 2wb1 h LEU 1048CO 0.01 0.34 -0.03 0.50 -0.62 0.00 0.00 178.44 178.64 2wb1 h LYS 1049N 0.81 -0.09 -1.42 1.25 3.64 -1.44 -2.70 116.57 116.62 2wb1 h LYS 1049Ca 0.51 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 2wb1 h LYS 1049Cb 0.67 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2wb1 h LYS 1049CO -0.33 0.43 0.00 -3.47 -2.27 0.00 0.00 179.45 173.80 2wb1 n ASP 1050N -4.87 3.01 0.00 4.20 -0.08 -0.55 -0.62 116.55 117.64 2wb1 n ASP 1050Ca -0.08 -1.78 0.00 0.00 -1.51 0.00 0.00 54.79 51.41 2wb1 n ASP 1050Cb 0.28 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 43.18 2wb1 n ASP 1050CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2wb1 n ARG 1051N 0.88 0.00 0.00 -0.67 3.00 -1.03 -4.64 116.66 114.21 2wb1 n ARG 1051Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2wb1 n ARG 1051Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.81 2wb1 n ARG 1051CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2wb1 n LEU 1052N 0.00 0.00 0.07 6.15 7.94 -0.67 -4.83 117.00 125.66 2wb1 n LEU 1052Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wb1 n LEU 1052Cb 0.08 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 2wb1 n LEU 1052CO 0.00 0.03 -0.02 -0.11 -1.11 0.00 0.00 177.39 176.18 2wb1 n LEU 1053N 0.00 -0.04 0.28 -1.96 0.00 0.20 -4.83 117.00 110.66 2wb1 n LEU 1053Ca 0.00 0.25 0.15 0.00 0.00 0.00 0.00 56.01 56.41 2wb1 n LEU 1053Cb 0.17 0.19 0.80 0.00 0.00 0.00 0.00 43.42 44.58 2wb1 n LEU 1053CO 0.00 -0.63 1.01 0.44 0.00 0.00 0.00 177.39 178.21 2wb1 h ASP 1054N 0.00 0.00 -1.27 1.96 3.45 -1.79 -3.24 116.42 115.52 2wb1 h ASP 1054Ca 0.00 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 56.94 2wb1 h ASP 1054Cb 0.04 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 38.40 2wb1 h ASP 1054CO 0.00 0.08 -0.87 0.59 -1.57 0.00 0.00 179.24 177.47 2wb1 n ASN 1055N -3.42 3.80 0.05 6.45 3.02 -1.26 -4.80 115.26 119.11 2wb1 n ASN 1055Ca -0.01 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 2wb1 n ASN 1055Cb 0.23 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2wb1 n ASN 1055CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wb1 n SER 1056N -0.41 -0.45 -2.71 6.41 7.64 -1.22 -4.80 113.62 118.08 2wb1 n SER 1056Ca 0.31 0.18 -0.09 0.00 1.01 0.00 0.00 58.87 60.28 2wb1 n SER 1056Cb 0.74 0.58 0.06 0.00 -1.01 0.00 0.00 64.21 64.58 2wb1 n SER 1056CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2wb1 n ASP 1057N -2.77 -0.08 -4.59 6.43 3.85 -1.25 -4.60 116.55 113.54 2wb1 n ASP 1057Ca 0.00 -2.67 -0.41 0.00 -0.71 0.00 0.00 54.79 51.00 2wb1 n ASP 1057Cb 0.00 0.19 -0.03 0.00 -1.35 0.00 0.00 41.12 39.93 2wb1 n ASP 1057CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2wb1 s ARG 1058N -1.62 2.98 0.22 0.11 0.52 -1.25 -1.56 118.95 118.34 2wb1 s ARG 1058Ca 0.26 1.50 0.01 0.00 -0.52 0.00 0.00 55.73 56.98 2wb1 s ARG 1058Cb 0.42 -4.34 -0.05 0.00 0.52 0.00 0.00 34.95 31.51 2wb1 s ARG 1058CO -0.02 -2.27 0.05 0.99 0.02 0.00 0.00 175.30 174.07 2wb1 s THR 1059N 8.45 0.60 0.28 0.02 2.01 -1.23 -4.97 115.64 120.81 2wb1 s THR 1059Ca 0.87 -1.99 0.07 0.00 0.31 0.00 0.00 61.69 60.95 2wb1 s THR 1059Cb -0.23 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 2wb1 s THR 1059CO 0.31 -0.21 0.30 0.42 -0.69 0.00 0.00 174.62 174.75 2wb1 s THR 1060N -3.72 4.39 -0.02 -0.82 -4.23 -1.26 -2.42 115.64 107.56 2wb1 s THR 1060Ca 0.32 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2wb1 s THR 1060Cb 0.07 -3.47 0.01 0.00 1.34 0.00 0.00 72.50 70.45 2wb1 s THR 1060CO 0.09 -0.28 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.23 2wb1 s ILE 1061N -2.14 0.39 -0.37 2.99 1.09 -1.02 -4.93 121.20 117.22 2wb1 s ILE 1061Ca 0.37 -0.13 -0.13 0.00 -1.10 0.00 0.00 60.65 59.65 2wb1 s ILE 1061Cb -0.08 -0.39 0.00 0.00 -1.06 0.00 0.00 42.46 40.94 2wb1 s ILE 1061CO 0.27 0.15 0.25 -0.31 -0.10 0.00 0.00 174.94 175.20 2wb1 s TYR 1062N 0.38 3.23 -0.19 3.97 1.51 -1.26 -1.20 117.35 123.79 2wb1 s TYR 1062Ca -0.04 -0.50 -0.09 0.00 -1.01 0.00 0.00 57.07 55.43 2wb1 s TYR 1062Cb -0.08 -2.51 -0.05 0.00 -0.11 0.00 0.00 41.96 39.22 2wb1 s TYR 1062CO -0.00 -0.50 0.13 0.08 -1.11 0.00 0.00 175.55 174.14 2wb1 s VAL 1063N 1.67 5.38 0.09 0.71 1.01 -0.83 -3.91 120.40 124.52 2wb1 s VAL 1063Ca 0.05 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2wb1 s VAL 1063Cb -0.18 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 2wb1 s VAL 1063CO 0.09 0.47 1.12 0.00 0.00 0.00 0.00 175.10 176.78 2wb1 h ASP 1065N 6.17 0.56 0.86 0.00 -0.00 -1.70 -1.58 116.42 120.73 2wb1 h ASP 1065Ca -0.42 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.03 56.39 2wb1 h ASP 1065Cb 1.21 -0.15 0.01 0.00 -0.00 0.00 0.00 39.33 40.41 2wb1 h ASP 1065CO 0.77 0.58 -0.41 1.56 -0.00 0.00 0.00 179.24 181.73 2wb1 h GLN 1066N 0.51 -1.12 0.00 0.28 4.20 -1.92 -3.41 115.11 113.65 2wb1 h GLN 1066Ca 0.13 0.08 -0.33 0.00 0.06 0.00 0.00 58.65 58.59 2wb1 h GLN 1066Cb 0.20 0.25 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 2wb1 h GLN 1066CO -0.01 -0.74 -2.23 0.00 -0.67 0.00 0.00 178.83 175.18 2wb1 n GLY 1068N 2.13 1.67 3.59 0.00 0.00 -0.59 -4.56 105.19 107.43 2wb1 n GLY 1068Ca -0.33 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 2wb1 n GLY 1068CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wb1 n TYR 1069N 0.00 1.11 0.00 1.61 0.18 -1.26 -1.24 117.16 117.56 2wb1 n TYR 1069Ca 0.00 0.62 0.00 0.00 1.88 0.00 0.00 57.90 60.40 2wb1 n TYR 1069Cb 0.00 -2.22 0.00 0.00 -0.38 0.00 0.00 39.34 36.74 2wb1 n TYR 1069CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 2wb1 n ILE 1070N -0.22 0.00 -2.29 -3.48 0.00 -1.26 -4.50 119.36 107.62 2wb1 n ILE 1070Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 62.75 62.42 2wb1 n ILE 1070Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 39.64 39.98 2wb1 n ILE 1070CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2wb1 s GLY 1071N 0.00 1.92 0.00 4.50 0.00 -1.25 -4.31 107.32 108.18 2wb1 s GLY 1071Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 2wb1 s GLY 1071CO 0.00 2.43 0.00 0.79 0.00 0.00 0.00 173.10 176.32 2wb1 n TRP 1072N 5.34 0.00 -0.83 1.90 7.02 -1.26 -4.36 117.44 125.25 2wb1 n TRP 1072Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 2wb1 n TRP 1072Cb 0.44 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.33 2wb1 n TRP 1072CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2wb1 n TYR 1073N 0.00 -1.64 -3.27 -5.99 4.01 -1.26 -4.03 117.16 104.98 2wb1 n TYR 1073Ca 0.00 0.92 -0.02 0.00 -0.16 0.00 0.00 57.90 58.64 2wb1 n TYR 1073Cb 0.00 -2.41 0.01 0.00 -0.31 0.00 0.00 39.34 36.63 2wb1 n TYR 1073CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2wb1 n ASP 1074N 0.26 -0.57 0.00 7.72 10.43 -1.24 -4.10 116.55 129.05 2wb1 n ASP 1074Ca 0.00 -1.38 0.00 0.00 2.57 0.00 0.00 54.79 55.98 2wb1 n ASP 1074Cb 0.00 0.94 0.00 0.00 1.84 0.00 0.00 41.12 43.90 2wb1 n ASP 1074CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 2wb1 n LYS 1075N -0.15 0.16 -4.05 -1.24 2.85 -1.26 -4.69 118.16 109.77 2wb1 n LYS 1075Ca -0.02 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.89 2wb1 n LYS 1075Cb 0.15 -0.62 -0.07 0.00 -0.65 0.00 0.00 35.03 33.85 2wb1 n LYS 1075CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2wb1 s ASN 1076N -2.94 5.94 -0.89 -5.58 -0.87 -1.26 -4.28 114.94 105.06 2wb1 s ASN 1076Ca 0.00 0.29 -0.06 0.00 -1.57 0.00 0.00 52.86 51.52 2wb1 s ASN 1076Cb 0.00 -1.81 -0.00 0.00 -0.02 0.00 0.00 41.25 39.42 2wb1 s ASN 1076CO 0.00 0.35 0.69 1.17 -2.57 0.00 0.00 177.10 176.73 2wb1 n LYS 1077N 1.67 -1.35 0.01 -0.60 4.81 -1.26 -4.83 118.16 116.61 2wb1 n LYS 1077Ca -0.17 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2wb1 n LYS 1077Cb 0.54 -3.88 0.00 0.00 0.02 0.00 0.00 35.03 31.71 2wb1 n LYS 1077CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2wb1 n ASN 1078N -2.36 0.04 0.00 3.14 5.15 -1.26 -5.05 115.26 114.92 2wb1 n ASN 1078Ca -0.15 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 2wb1 n ASN 1078Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 2wb1 n ASN 1078CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2wb1 n LYS 1079N -2.58 0.00 -4.34 1.20 2.85 -1.26 -4.61 118.16 109.42 2wb1 n LYS 1079Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 2wb1 n LYS 1079Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 2wb1 n LYS 1079CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2wb1 s TYR 1080N 3.00 3.06 0.06 5.58 2.02 -1.26 -3.63 117.35 126.19 2wb1 s TYR 1080Ca 0.00 -0.24 -0.08 0.00 -0.37 0.00 0.00 57.07 56.39 2wb1 s TYR 1080Cb 0.00 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 2wb1 s TYR 1080CO 0.00 -0.00 0.15 0.54 -1.57 0.00 0.00 175.55 174.67 2wb1 s VAL 1081N 0.35 0.14 0.47 0.71 0.11 -1.26 -4.85 120.40 116.07 2wb1 s VAL 1081Ca -0.03 -1.15 0.03 0.00 -2.93 0.00 0.00 61.98 57.91 2wb1 s VAL 1081Cb -0.14 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 2wb1 s VAL 1081CO 0.03 -0.63 0.01 0.00 -3.33 0.00 0.00 175.10 171.17 2wb1 n PRO 1083N -1.13 0.46 -0.06 0.00 -0.02 -1.26 -0.36 135.00 132.63 2wb1 n PRO 1083Ca -0.13 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.44 2wb1 n PRO 1083Cb 0.67 -1.43 0.11 0.00 -0.02 0.00 0.00 33.50 32.82 2wb1 n PRO 1083CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wb1 n ILE 1084N -0.93 0.21 -4.66 4.25 2.08 -1.26 -5.10 119.36 113.95 2wb1 n ILE 1084Ca 0.09 -0.60 0.00 0.00 0.56 0.00 0.00 62.75 62.80 2wb1 n ILE 1084Cb 0.04 1.19 0.00 0.00 -0.75 0.00 0.00 39.64 40.12 2wb1 n ILE 1084CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2wb1 n HIS 1085N 1.01 -0.94 -1.30 1.39 8.25 0.52 -5.02 115.22 119.13 2wb1 n HIS 1085Ca 0.12 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.75 2wb1 n HIS 1085Cb 0.46 0.19 -0.05 0.00 1.12 0.00 0.00 29.99 31.70 2wb1 n HIS 1085CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wb1 n GLY 1086N 0.00 -2.18 0.05 -1.41 0.00 -1.26 -4.27 105.19 96.12 2wb1 n GLY 1086Ca 0.00 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.98 2wb1 n GLY 1086CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wb1 n ASP 1087N -4.01 0.37 -4.66 1.61 8.00 -1.26 -4.77 116.55 111.83 2wb1 n ASP 1087Ca -0.01 0.54 -0.44 0.00 0.71 0.00 0.00 54.79 55.59 2wb1 n ASP 1087Cb 0.60 -0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 2wb1 n ASP 1087CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2wb1 n LYS 1088N -1.85 1.85 -4.17 -1.24 5.02 -1.26 -3.28 118.16 113.22 2wb1 n LYS 1088Ca 0.06 0.65 -0.33 0.00 -2.02 0.00 0.00 58.31 56.68 2wb1 n LYS 1088Cb 0.37 -2.19 -0.06 0.00 -0.02 0.00 0.00 35.03 33.13 2wb1 n LYS 1088CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wb1 n SER 1089N 1.21 -0.43 -3.67 4.39 3.41 -1.26 -4.70 113.62 112.57 2wb1 n SER 1089Ca 0.08 -1.21 -0.38 0.00 -0.26 0.00 0.00 58.87 57.09 2wb1 n SER 1089Cb 0.34 -1.99 -0.02 0.00 -0.26 0.00 0.00 64.21 62.28 2wb1 n SER 1089CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wb1 n ASN 1090N -2.78 -1.58 -4.09 4.04 3.02 -1.21 -2.46 115.26 110.21 2wb1 n ASN 1090Ca -0.28 0.85 -0.29 0.00 -0.03 0.00 0.00 54.58 54.83 2wb1 n ASN 1090Cb 0.67 -0.78 0.27 0.00 -0.61 0.00 0.00 39.78 39.33 2wb1 n ASN 1090CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wb1 s LEU 1091N 2.96 -0.01 -0.06 3.41 1.43 -1.26 -4.46 118.68 120.69 2wb1 s LEU 1091Ca 0.52 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.85 2wb1 s LEU 1091Cb -0.69 -2.95 0.03 0.00 0.03 0.00 0.00 46.19 42.61 2wb1 s LEU 1091CO 0.49 -4.72 0.04 -0.36 0.23 0.00 0.00 176.35 172.02 2wb1 s PHE 1092N -2.37 0.35 0.25 0.29 2.99 0.06 -4.83 117.98 114.72 2wb1 s PHE 1092Ca 0.69 0.02 -0.31 0.00 0.00 0.00 0.00 56.93 57.33 2wb1 s PHE 1092Cb -0.21 -0.64 -0.11 0.00 0.00 0.00 0.00 43.02 42.06 2wb1 s PHE 1092CO 0.62 -0.28 1.57 -2.14 -0.00 0.00 0.00 175.22 174.99 2wb1 s PRO 1093N 2.08 4.18 -0.15 0.24 0.02 -1.26 -1.97 135.00 138.13 2wb1 s PRO 1093Ca 0.05 2.47 -0.05 0.00 0.02 0.00 0.00 61.00 63.49 2wb1 s PRO 1093Cb -0.12 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 31.38 2wb1 s PRO 1093CO -0.04 -0.59 0.08 0.08 -0.33 0.00 0.00 177.00 176.20 2wb1 s VAL 1094N 0.34 -0.07 -0.44 3.83 1.01 -0.34 -4.94 120.40 119.79 2wb1 s VAL 1094Ca 0.65 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.25 2wb1 s VAL 1094Cb -0.46 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2wb1 s VAL 1094CO 0.42 -0.22 1.68 -0.89 0.00 0.00 0.00 175.10 176.09 2wb1 s THR 1095N 2.13 3.58 0.00 3.92 2.01 -1.26 -2.43 115.64 123.60 2wb1 s THR 1095Ca 0.02 0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.48 2wb1 s THR 1095Cb -0.16 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.42 2wb1 s THR 1095CO -0.08 -0.70 0.16 -0.69 -0.69 0.00 0.00 174.62 172.62 2wb1 s VAL 1096N 6.95 0.08 0.27 3.82 1.01 -1.02 -5.03 120.40 126.48 2wb1 s VAL 1096Ca 0.69 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 2wb1 s VAL 1096Cb -0.17 -0.48 -0.11 0.00 0.00 0.00 0.00 36.38 35.62 2wb1 s VAL 1096CO 0.29 -0.37 1.59 -0.94 0.00 0.00 0.00 175.10 175.67 2wb1 s SER 1097N -1.42 6.42 0.57 3.32 1.04 -1.26 -3.49 113.70 118.88 2wb1 s SER 1097Ca -0.14 2.89 0.26 0.00 0.48 0.00 0.00 55.95 59.44 2wb1 s SER 1097Cb -0.07 -2.63 1.60 0.00 0.10 0.00 0.00 66.02 65.03 2wb1 s SER 1097CO 0.02 -0.89 2.14 0.22 0.98 0.00 0.00 173.24 175.71 2wb1 h TYR 1098N 5.27 0.00 0.00 5.02 3.20 -1.62 0.41 116.97 129.25 2wb1 h TYR 1098Ca -0.46 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.37 2wb1 h TYR 1098Cb 1.22 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2wb1 h TYR 1098CO 0.60 0.00 -0.18 0.00 -1.64 0.00 0.00 178.16 176.94 2wb1 h ALA 1099N 1.87 1.49 0.01 1.82 0.00 -1.86 0.19 119.26 122.79 2wb1 h ALA 1099Ca 0.06 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2wb1 h ALA 1099Cb 0.31 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.09 2wb1 h ALA 1099CO -0.00 0.22 -1.04 0.35 0.00 0.00 0.00 179.25 178.79 2wb1 h PHE 1100N 0.00 0.90 -0.33 0.00 3.57 -1.29 -0.21 116.94 119.58 2wb1 h PHE 1100Ca -0.00 -0.50 -0.03 0.00 3.53 0.00 0.00 57.97 60.97 2wb1 h PHE 1100Cb 0.37 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2wb1 h PHE 1100CO 0.00 1.33 0.09 -0.22 -2.23 0.00 0.00 178.31 177.28 2wb1 h LYS 1101N 0.33 0.47 0.33 1.11 3.64 -0.96 0.14 116.57 121.62 2wb1 h LYS 1101Ca -0.12 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2wb1 h LYS 1101Cb 1.69 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2wb1 h LYS 1101CO 0.20 0.43 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.57 2wb1 h LEU 1102N 0.47 -0.38 -0.54 5.20 3.38 -0.62 -2.88 115.31 119.94 2wb1 h LEU 1102Ca 0.11 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.03 2wb1 h LEU 1102Cb 0.16 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 2wb1 h LEU 1102CO -0.01 -0.00 -0.08 0.25 0.09 0.00 0.00 178.44 178.69 2wb1 h LEU 1103N -0.80 -0.39 -0.79 1.67 5.85 -0.24 0.35 115.31 120.95 2wb1 h LEU 1103Ca -0.05 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2wb1 h LEU 1103Cb 0.52 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2wb1 h LEU 1103CO 0.08 -0.14 0.16 0.40 -0.34 0.00 0.00 178.44 178.59 2wb1 h ILE 1104N 0.05 1.26 0.01 4.05 2.04 -0.86 -1.20 117.51 122.86 2wb1 h ILE 1104Ca 0.27 -0.95 -0.20 0.00 1.00 0.00 0.00 64.86 64.98 2wb1 h ILE 1104Cb 0.42 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2wb1 h ILE 1104CO -0.52 0.36 -0.91 1.56 0.00 0.00 0.00 178.15 178.65 2wb1 h GLN 1105N 1.01 0.12 0.40 2.37 4.20 -1.10 -2.37 115.11 119.74 2wb1 h GLN 1105Ca 0.21 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2wb1 h GLN 1105Cb 0.36 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2wb1 h GLN 1105CO 0.00 0.94 -0.19 0.93 -0.67 0.00 0.00 178.83 179.85 2wb1 h GLU 1106N 0.06 -0.51 -0.95 1.46 5.08 -0.89 -2.21 114.58 116.61 2wb1 h GLU 1106Ca -0.04 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 2wb1 h GLU 1106Cb 1.56 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 30.76 2wb1 h GLU 1106CO 0.13 -0.28 0.18 -0.07 -1.00 0.00 0.00 179.01 177.98 2wb1 h LEU 1107N -0.64 -0.18 -0.63 1.33 3.38 -1.16 0.34 115.31 117.75 2wb1 h LEU 1107Ca -0.05 0.25 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2wb1 h LEU 1107Cb 0.47 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2wb1 h LEU 1107CO 0.09 -0.30 -0.09 0.24 0.09 0.00 0.00 178.44 178.47 2wb1 h MET 1108N 0.07 0.99 0.00 1.13 2.86 -1.18 -0.39 114.93 118.40 2wb1 h MET 1108Ca 0.62 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.89 2wb1 h MET 1108Cb 1.36 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 2wb1 h MET 1108CO -0.80 1.02 -0.15 0.66 1.06 0.00 0.00 176.91 178.69 2wb1 h SER 1109N 0.88 0.00 0.04 1.22 4.64 -0.33 0.10 113.55 120.09 2wb1 h SER 1109Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2wb1 h SER 1109Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2wb1 h SER 1109CO 0.04 0.15 -0.02 0.80 -0.87 0.00 0.00 176.83 176.94 2wb1 n MET 1110N -3.40 1.28 -2.41 4.77 0.00 -0.74 -4.92 117.12 111.69 2wb1 n MET 1110Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 57.70 57.21 2wb1 n MET 1110Cb 0.34 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.08 2wb1 n MET 1110CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2wb1 n ILE 1111N -0.44 -0.04 -5.19 1.12 -0.00 0.02 -5.08 119.36 109.75 2wb1 n ILE 1111Ca 0.20 -0.00 -0.32 0.00 -0.00 0.00 0.00 62.75 62.64 2wb1 n ILE 1111Cb 0.25 -1.74 -0.17 0.00 -0.00 0.00 0.00 39.64 37.98 2wb1 n ILE 1111CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2wb1 s ILE 1112N -3.00 2.01 -0.40 1.39 1.01 -0.20 -4.99 121.20 117.01 2wb1 s ILE 1112Ca 0.01 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 2wb1 s ILE 1112Cb -0.00 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.75 2wb1 s ILE 1112CO 0.01 0.55 0.51 -0.94 0.00 0.00 0.00 174.94 175.07 2wb1 s SER 1113N 0.31 6.26 -0.79 3.58 1.04 -1.26 -3.32 113.70 119.53 2wb1 s SER 1113Ca -0.17 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 55.76 2wb1 s SER 1113Cb -0.17 -2.26 0.21 0.00 0.10 0.00 0.00 66.02 63.89 2wb1 s SER 1113CO 0.08 -0.59 0.71 -2.16 0.98 0.00 0.00 173.24 172.27 2wb1 s PRO 1114N 2.39 3.43 -0.66 4.02 0.04 -1.26 -5.03 135.00 137.92 2wb1 s PRO 1114Ca 0.17 -2.44 -0.24 0.00 0.04 0.00 0.00 61.00 58.52 2wb1 s PRO 1114Cb -0.16 -4.32 0.05 0.00 0.04 0.00 0.00 34.50 30.11 2wb1 s PRO 1114CO 0.15 -1.28 1.05 1.03 0.04 0.00 0.00 177.00 177.99 2wb1 s ARG 1115N 0.19 3.18 0.26 4.56 1.81 -1.26 -4.28 118.95 123.41 2wb1 s ARG 1115Ca 0.17 -0.55 -0.29 0.00 -1.72 0.00 0.00 55.73 53.33 2wb1 s ARG 1115Cb -0.12 -4.18 -0.09 0.00 -0.45 0.00 0.00 34.95 30.10 2wb1 s ARG 1115CO -0.08 -1.85 1.19 -0.51 -0.68 0.00 0.00 175.30 173.37 2wb1 s LEU 1116N 4.52 4.49 -0.17 2.53 1.02 -1.26 -4.95 118.68 124.86 2wb1 s LEU 1116Ca 0.27 2.37 -0.11 0.00 0.02 0.00 0.00 54.13 56.69 2wb1 s LEU 1116Cb -0.14 -3.63 -0.05 0.00 0.02 0.00 0.00 46.19 42.40 2wb1 s LEU 1116CO 0.13 -0.32 0.20 -0.63 0.02 0.00 0.00 176.35 175.75 2wb1 s ILE 1117N -0.78 5.37 0.48 -0.59 -1.09 -1.26 -4.45 121.20 118.88 2wb1 s ILE 1117Ca 0.49 0.34 -0.22 0.00 -2.23 0.00 0.00 60.65 59.02 2wb1 s ILE 1117Cb -0.34 -3.52 -0.09 0.00 -1.58 0.00 0.00 42.46 36.92 2wb1 s ILE 1117CO 0.43 0.46 1.01 0.00 -1.23 0.00 0.00 174.94 175.60 2wb1 n LEU 1118N 3.23 3.01 -3.64 2.97 -0.00 -1.26 -5.06 117.00 116.25 2wb1 n LEU 1118Ca -0.15 0.97 -0.13 0.00 -0.00 0.00 0.00 56.01 56.69 2wb1 n LEU 1118Cb 0.52 -1.37 -0.06 0.00 -0.00 0.00 0.00 43.42 42.51 2wb1 n LEU 1118CO 0.37 -1.55 0.19 -0.70 -0.00 0.00 0.00 177.39 175.70 2wb1 s GLU 1119N -2.25 0.94 0.95 1.47 2.12 -1.26 -5.17 118.70 115.50 2wb1 s GLU 1119Ca 0.67 -0.31 -0.12 0.00 0.36 0.00 0.00 54.97 55.56 2wb1 s GLU 1119Cb -0.51 0.42 0.07 0.00 0.26 0.00 0.00 34.13 34.38 2wb1 s GLU 1119CO 0.54 -0.33 0.58 -0.25 -0.54 0.00 0.00 175.26 175.27 2wb1 n ASP 1120N 0.51 -1.51 -0.21 -1.70 10.43 -1.26 -4.92 116.55 117.90 2wb1 n ASP 1120Ca -0.19 0.34 0.01 0.00 2.57 0.00 0.00 54.79 57.52 2wb1 n ASP 1120Cb 0.60 -1.27 0.12 0.00 1.84 0.00 0.00 41.12 42.41 2wb1 n ASP 1120CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 2wb1 h ARG 1121N -1.67 0.34 0.00 -1.24 2.43 -2.03 -3.56 114.38 108.66 2wb1 h ARG 1121Ca -0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2wb1 h ARG 1121Cb 1.28 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2wb1 h ARG 1121CO 0.36 0.23 0.00 0.28 -1.51 0.00 0.00 179.97 179.33