#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb4 s ALA 3 N 0.00 -0.39 -0.24 7.33 0.00 -1.26 -5.04 121.76 122.17 2wb4 s ALA 3 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 2wb4 s ALA 3 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2wb4 s ALA 3 CO 0.00 -0.20 0.36 1.03 0.00 0.00 0.00 175.76 176.96 2wb4 s ARG 4 N -1.19 4.09 -0.05 0.00 0.52 -1.26 -1.43 118.95 119.63 2wb4 s ARG 4 Ca -0.13 0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.22 2wb4 s ARG 4 Cb -0.07 -3.59 -0.01 0.00 0.52 0.00 0.00 34.95 31.81 2wb4 s ARG 4 CO 0.02 -0.14 -0.23 0.42 0.02 0.00 0.00 175.30 175.39 2wb4 s ILE 5 N 1.63 1.93 -0.25 1.52 1.01 -0.41 -1.09 121.20 125.54 2wb4 s ILE 5 Ca 0.16 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 2wb4 s ILE 5 Cb -0.15 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 2wb4 s ILE 5 CO 0.08 0.54 0.03 -0.22 0.00 0.00 0.00 174.94 175.38 2wb4 s LEU 6 N -0.12 3.32 -0.16 2.97 2.96 -0.34 -1.41 118.68 125.90 2wb4 s LEU 6 Ca -0.04 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 2wb4 s LEU 6 Cb -0.13 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2wb4 s LEU 6 CO 0.03 -0.05 0.07 -0.69 -1.32 0.00 0.00 176.35 174.39 2wb4 s VAL 7 N 1.55 4.90 -0.06 1.68 1.01 -0.18 -0.89 120.40 128.41 2wb4 s VAL 7 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2wb4 s VAL 7 Cb -0.15 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.07 2wb4 s VAL 7 CO 0.01 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 174.88 2wb4 s VAL 8 N -0.04 0.65 -0.24 2.92 1.01 -0.46 -1.58 120.40 122.66 2wb4 s VAL 8 Ca 0.07 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 2wb4 s VAL 8 Cb -0.12 -0.69 0.13 0.00 0.00 0.00 0.00 36.38 35.71 2wb4 s VAL 8 CO 0.01 0.27 1.07 -0.62 0.00 0.00 0.00 175.10 175.83 2wb4 s ASP 9 N 1.23 -0.37 0.26 3.32 -1.08 -0.98 -0.90 116.67 118.15 2wb4 s ASP 9 Ca -0.06 0.62 0.25 0.00 -0.52 0.00 0.00 52.55 52.84 2wb4 s ASP 9 Cb -0.14 0.59 0.55 0.00 -1.46 0.00 0.00 42.92 42.46 2wb4 s ASP 9 CO -0.02 -0.20 1.61 -2.24 0.52 0.00 0.00 175.17 174.85 2wb4 h ASP 10 N 3.49 0.00 -3.79 -0.34 2.03 -1.85 -3.38 116.42 112.58 2wb4 h ASP 10 Ca -0.24 -0.03 -0.64 0.00 -0.73 0.00 0.00 57.03 55.39 2wb4 h ASP 10 Cb 1.17 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.50 2wb4 h ASP 10 CO 0.19 0.02 -0.53 -0.63 -1.03 0.00 0.00 179.24 177.25 2wb4 s ILE 11 N -3.16 5.16 0.34 4.15 1.01 -1.26 -4.97 121.20 122.47 2wb4 s ILE 11 Ca 0.08 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.88 2wb4 s ILE 11 Cb 0.10 -3.44 0.20 0.00 0.01 0.00 0.00 42.46 39.33 2wb4 s ILE 11 CO 0.65 0.29 1.92 -0.08 0.00 0.00 0.00 174.94 177.72 2wb4 h GLU 12 N 8.14 0.67 -0.86 2.79 4.81 -2.00 -0.69 114.58 127.45 2wb4 h GLU 12 Ca -0.36 -0.10 0.11 0.00 -0.13 0.00 0.00 59.36 58.88 2wb4 h GLU 12 Cb 1.18 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.37 2wb4 h GLU 12 CO 0.58 0.57 0.50 0.00 -0.73 0.00 0.00 179.01 179.93 2wb4 h ALA 13 N 1.52 1.26 -0.35 2.92 0.00 -1.98 -0.88 119.26 121.75 2wb4 h ALA 13 Ca 0.16 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2wb4 h ALA 13 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wb4 h ALA 13 CO -0.01 0.10 -0.01 -0.91 0.00 0.00 0.00 179.25 178.42 2wb4 h ASN 14 N 0.81 0.62 0.34 0.00 2.35 -1.54 -2.67 115.58 115.49 2wb4 h ASN 14 Ca 0.43 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2wb4 h ASN 14 Cb 0.43 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2wb4 h ASN 14 CO -0.27 0.79 -0.16 0.58 -1.65 0.00 0.00 177.43 176.72 2wb4 h VAL 15 N 0.44 0.68 -0.47 2.81 2.07 -1.22 -2.46 116.25 118.11 2wb4 h VAL 15 Ca 0.10 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.45 2wb4 h VAL 15 Cb 0.47 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 2wb4 h VAL 15 CO 0.02 0.05 -0.11 -0.09 0.02 0.00 0.00 177.57 177.46 2wb4 h ARG 16 N -0.59 0.00 0.02 1.57 2.43 -1.22 0.90 114.38 117.49 2wb4 h ARG 16 Ca -0.05 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2wb4 h ARG 16 Cb 0.43 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2wb4 h ARG 16 CO 0.08 0.00 -0.07 1.25 -1.51 0.00 0.00 179.97 179.71 2wb4 h LEU 17 N 0.00 -0.20 -0.30 3.80 5.85 -1.46 -0.38 115.31 122.63 2wb4 h LEU 17 Ca 0.22 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2wb4 h LEU 17 Cb 0.34 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2wb4 h LEU 17 CO -0.48 -0.11 0.14 0.25 -0.34 0.00 0.00 178.44 177.90 2wb4 h LEU 18 N -0.14 0.39 -0.47 2.25 5.85 -1.08 -1.83 115.31 120.29 2wb4 h LEU 18 Ca 0.02 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.70 2wb4 h LEU 18 Cb 0.16 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 2wb4 h LEU 18 CO -0.06 0.42 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.34 2wb4 h GLU 19 N 0.34 0.07 -0.24 1.25 4.81 -0.62 -1.22 114.58 118.97 2wb4 h GLU 19 Ca 0.10 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2wb4 h GLU 19 Cb 0.14 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2wb4 h GLU 19 CO -0.01 0.04 0.01 0.00 -0.73 0.00 0.00 179.01 178.33 2wb4 h ALA 20 N 1.43 0.22 -0.80 2.92 0.00 -0.67 0.10 119.26 122.47 2wb4 h ALA 20 Ca 0.23 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2wb4 h ALA 20 Cb 0.35 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2wb4 h ALA 20 CO -0.42 -0.41 0.48 0.87 0.00 0.00 0.00 179.25 179.77 2wb4 h LYS 21 N 0.09 1.09 -0.15 0.00 1.57 -0.61 -1.30 116.57 117.28 2wb4 h LYS 21 Ca 0.11 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 2wb4 h LYS 21 Cb 0.14 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2wb4 h LYS 21 CO -0.18 0.78 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.93 2wb4 h LEU 22 N 1.10 0.67 -1.26 2.94 3.38 -0.80 -2.92 115.31 118.41 2wb4 h LEU 22 Ca 0.29 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2wb4 h LEU 22 Cb -0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2wb4 h LEU 22 CO -0.05 1.16 -0.36 0.71 0.09 0.00 0.00 178.44 179.99 2wb4 h THR 23 N 0.23 1.17 0.00 0.22 1.35 -0.70 -2.32 112.91 112.85 2wb4 h THR 23 Ca -0.02 -1.27 -0.04 0.00 -0.55 0.00 0.00 66.41 64.53 2wb4 h THR 23 Cb 1.10 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 2wb4 h THR 23 CO 0.10 0.35 -0.19 0.00 -0.25 0.00 0.00 175.52 175.53 2wb4 h ALA 24 N 1.64 1.20 -0.64 6.62 0.00 -1.06 -1.26 119.26 125.76 2wb4 h ALA 24 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wb4 h ALA 24 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wb4 h ALA 24 CO 0.05 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.93 2wb4 n GLU 25 N -3.61 3.62 -1.30 0.00 -0.58 -0.91 -4.98 120.64 112.88 2wb4 n GLU 25 Ca -0.01 -2.77 0.00 0.00 -0.42 0.00 0.00 57.16 53.96 2wb4 n GLU 25 Cb 0.33 -1.87 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 2wb4 n GLU 25 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2wb4 n TYR 26 N 1.12 0.00 -3.12 -0.32 4.01 -0.48 -4.93 117.16 113.44 2wb4 n TYR 26 Ca 0.25 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.66 2wb4 n TYR 26 Cb 0.86 -0.65 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 2wb4 n TYR 26 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2wb4 s TYR 27 N -2.00 3.43 -0.48 -0.72 2.02 -1.00 -1.41 117.35 117.18 2wb4 s TYR 27 Ca 0.00 1.26 -0.25 0.00 -0.37 0.00 0.00 57.07 57.71 2wb4 s TYR 27 Cb 0.00 -2.56 0.03 0.00 -0.40 0.00 0.00 41.96 39.03 2wb4 s TYR 27 CO 0.00 0.14 0.92 -2.00 -1.57 0.00 0.00 175.55 173.04 2wb4 s GLU 28 N -2.76 3.47 -0.14 -0.62 2.12 -0.51 -4.30 118.70 115.96 2wb4 s GLU 28 Ca 0.52 0.04 -0.05 0.00 0.36 0.00 0.00 54.97 55.83 2wb4 s GLU 28 Cb -0.12 -3.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 2wb4 s GLU 28 CO 0.18 -1.29 0.04 0.08 -0.54 0.00 0.00 175.26 173.74 2wb4 s VAL 29 N 3.78 4.66 0.22 3.70 1.01 -1.26 -1.28 120.40 131.23 2wb4 s VAL 29 Ca 0.35 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.33 2wb4 s VAL 29 Cb -0.11 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2wb4 s VAL 29 CO 0.24 0.54 -0.17 -0.94 0.00 0.00 0.00 175.10 174.77 2wb4 s SER 30 N -0.30 2.95 0.10 3.32 1.04 -0.50 -4.98 113.70 115.32 2wb4 s SER 30 Ca 0.08 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2wb4 s SER 30 Cb -0.12 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 2wb4 s SER 30 CO 0.02 -0.06 -0.03 0.42 0.98 0.00 0.00 173.24 174.57 2wb4 s THR 31 N -2.56 0.44 -0.19 2.02 -4.23 -1.26 -1.01 115.64 108.84 2wb4 s THR 31 Ca 0.23 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 2wb4 s THR 31 Cb -0.03 -1.74 0.05 0.00 1.34 0.00 0.00 72.50 72.12 2wb4 s THR 31 CO 0.09 -0.80 0.52 0.00 -0.54 0.00 0.00 174.62 173.89 2wb4 s ALA 32 N -3.79 -1.28 -2.19 3.99 0.00 -0.62 -4.93 121.76 112.94 2wb4 s ALA 32 Ca 0.14 1.47 0.23 0.00 0.00 0.00 0.00 51.96 53.79 2wb4 s ALA 32 Cb 0.07 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.35 2wb4 s ALA 32 CO -0.04 -0.25 1.11 -1.33 0.00 0.00 0.00 175.76 175.26 2wb4 n MET 33 N 2.83 1.38 -2.80 0.00 2.81 -1.26 -2.32 117.12 117.75 2wb4 n MET 33 Ca -0.14 -1.14 -0.07 0.00 -1.81 0.00 0.00 57.70 54.54 2wb4 n MET 33 Cb 0.56 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 2wb4 n MET 33 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2wb4 n ASP 34 N 0.19 -1.18 0.18 7.83 5.68 -1.26 -4.04 116.55 123.94 2wb4 n ASP 34 Ca 0.10 -2.03 -0.08 0.00 -0.50 0.00 0.00 54.79 52.28 2wb4 n ASP 34 Cb 0.49 2.03 -0.04 0.00 -1.14 0.00 0.00 41.12 42.46 2wb4 n ASP 34 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2wb4 h GLY 35 N 1.20 -0.54 -0.11 6.12 0.00 -1.88 -2.45 103.07 105.40 2wb4 h GLY 35 Ca -0.19 0.20 0.10 0.00 0.00 0.00 0.00 47.33 47.44 2wb4 h GLY 35 CO 0.24 -0.20 -0.19 -2.55 0.00 0.00 0.00 176.54 173.85 2wb4 h PRO 36 N -1.03 -0.08 -0.91 4.80 0.11 -1.98 0.13 132.00 133.04 2wb4 h PRO 36 Ca -0.05 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.14 2wb4 h PRO 36 Cb 0.40 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.45 2wb4 h PRO 36 CO 0.09 -0.05 0.56 1.15 -0.21 0.00 0.00 178.00 179.54 2wb4 h THR 37 N -0.08 1.00 -0.28 -1.15 2.02 -2.00 -1.66 112.91 110.76 2wb4 h THR 37 Ca 0.24 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 2wb4 h THR 37 Cb 0.44 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2wb4 h THR 37 CO -0.55 0.18 0.03 0.00 0.37 0.00 0.00 175.52 175.54 2wb4 h ALA 38 N 1.45 0.38 -0.21 6.16 0.00 -0.35 -0.75 119.26 125.94 2wb4 h ALA 38 Ca 0.41 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2wb4 h ALA 38 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2wb4 h ALA 38 CO -0.21 0.09 -0.00 -0.07 0.00 0.00 0.00 179.25 179.06 2wb4 h LEU 39 N 0.29 -0.09 0.07 0.00 3.38 -0.70 -1.56 115.31 116.70 2wb4 h LEU 39 Ca 0.08 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2wb4 h LEU 39 Cb 0.37 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2wb4 h LEU 39 CO 0.01 -0.02 -0.27 0.00 0.09 0.00 0.00 178.44 178.25 2wb4 h ALA 40 N 1.18 -0.42 -0.85 1.53 0.00 -1.04 -1.14 119.26 118.52 2wb4 h ALA 40 Ca 0.10 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2wb4 h ALA 40 Cb 0.13 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2wb4 h ALA 40 CO -0.17 -0.79 0.52 0.52 0.00 0.00 0.00 179.25 179.33 2wb4 h MET 41 N -0.45 0.90 -0.05 0.00 2.86 -1.03 -1.20 114.93 115.95 2wb4 h MET 41 Ca 0.04 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2wb4 h MET 41 Cb 0.50 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2wb4 h MET 41 CO -0.18 0.59 0.00 0.00 1.06 0.00 0.00 176.91 178.38 2wb4 h ALA 42 N 1.42 0.07 -0.69 6.32 0.00 -0.86 0.98 119.26 126.50 2wb4 h ALA 42 Ca 0.39 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.26 2wb4 h ALA 42 Cb 0.24 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 2wb4 h ALA 42 CO -0.20 -0.27 0.24 0.00 0.00 0.00 0.00 179.25 179.02 2wb4 h ALA 43 N 0.73 0.92 -0.03 0.00 0.00 -0.93 -2.02 119.26 117.92 2wb4 h ALA 43 Ca 0.01 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2wb4 h ALA 43 Cb 0.32 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wb4 h ALA 43 CO 0.00 -0.23 -0.72 -0.09 0.00 0.00 0.00 179.25 178.21 2wb4 h ARG 44 N 0.39 0.55 0.00 0.00 2.43 -0.86 -3.39 114.38 113.50 2wb4 h ARG 44 Ca 0.37 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2wb4 h ARG 44 Cb 0.54 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2wb4 h ARG 44 CO -0.39 1.17 -1.02 -0.25 -1.51 0.00 0.00 179.97 177.97 2wb4 n ASP 45 N -4.10 0.96 -3.62 -3.80 8.00 0.31 -5.04 116.55 109.26 2wb4 n ASP 45 Ca -0.10 -0.57 -0.28 0.00 0.71 0.00 0.00 54.79 54.55 2wb4 n ASP 45 Cb 0.72 1.23 0.04 0.00 -0.02 0.00 0.00 41.12 43.09 2wb4 n ASP 45 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wb4 n LEU 46 N -1.57 -3.19 -4.71 0.64 4.77 -0.77 -4.93 117.00 107.24 2wb4 n LEU 46 Ca 0.01 -0.94 -0.34 0.00 -0.03 0.00 0.00 56.01 54.71 2wb4 n LEU 46 Cb 0.28 -2.45 0.11 0.00 -2.33 0.00 0.00 43.42 39.03 2wb4 n LEU 46 CO 0.31 0.35 0.80 -2.16 -1.33 0.00 0.00 177.39 175.35 2wb4 s PRO 47 N -5.64 1.95 0.19 3.23 0.04 -1.26 -4.93 135.00 128.57 2wb4 s PRO 47 Ca 0.42 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 63.23 2wb4 s PRO 47 Cb -0.14 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.71 2wb4 s PRO 47 CO 0.85 -1.99 1.52 -0.44 0.04 0.00 0.00 177.00 176.98 2wb4 h ASP 48 N -0.47 0.67 -4.33 6.66 3.32 -1.47 -3.46 116.42 117.34 2wb4 h ASP 48 Ca -0.47 -0.34 -0.18 0.00 0.02 0.00 0.00 57.03 56.06 2wb4 h ASP 48 Cb 1.30 -0.19 -0.24 0.00 0.22 0.00 0.00 39.33 40.42 2wb4 h ASP 48 CO 0.48 1.05 -0.57 -0.63 -1.72 0.00 0.00 179.24 177.86 2wb4 s ILE 49 N -4.11 0.04 -0.12 0.35 1.01 -1.08 -4.27 121.20 113.01 2wb4 s ILE 49 Ca -0.08 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2wb4 s ILE 49 Cb 0.11 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.32 2wb4 s ILE 49 CO 0.84 -0.19 -0.21 -0.63 0.00 0.00 0.00 174.94 174.75 2wb4 s ILE 50 N -0.61 2.22 -0.17 2.92 1.01 -0.85 -1.20 121.20 124.52 2wb4 s ILE 50 Ca -0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 2wb4 s ILE 50 Cb -0.04 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 2wb4 s ILE 50 CO 0.00 0.55 -0.03 -0.76 0.00 0.00 0.00 174.94 174.70 2wb4 s LEU 51 N 0.57 3.17 -0.08 2.97 1.43 -0.07 -0.12 118.68 126.53 2wb4 s LEU 51 Ca -0.12 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2wb4 s LEU 51 Cb -0.17 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.31 2wb4 s LEU 51 CO 0.04 0.12 0.04 -0.22 0.23 0.00 0.00 176.35 176.55 2wb4 s LEU 52 N 0.68 0.43 0.90 1.79 2.96 0.28 -1.35 118.68 124.37 2wb4 s LEU 52 Ca -0.02 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2wb4 s LEU 52 Cb -0.14 -0.31 0.13 0.00 0.50 0.00 0.00 46.19 46.37 2wb4 s LEU 52 CO 0.02 -0.25 1.14 -0.62 -1.32 0.00 0.00 176.35 175.32 2wb4 s ASP 53 N 2.06 3.12 -0.22 3.68 2.15 -0.07 -1.15 116.67 126.23 2wb4 s ASP 53 Ca 0.04 2.13 -0.10 0.00 0.43 0.00 0.00 52.55 55.06 2wb4 s ASP 53 Cb -0.13 -2.56 -0.10 0.00 -0.30 0.00 0.00 42.92 39.83 2wb4 s ASP 53 CO -0.05 -2.97 -0.27 0.52 -0.17 0.00 0.00 175.17 172.23 2wb4 n VAL 54 N -4.14 1.20 -3.03 1.11 0.31 -1.26 -4.05 118.33 108.47 2wb4 n VAL 54 Ca 0.11 -0.32 -0.41 0.00 -0.01 0.00 0.00 64.34 63.71 2wb4 n VAL 54 Cb 0.52 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.65 2wb4 n VAL 54 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 2wb4 s MET 55 N -2.40 3.99 -0.17 5.55 -1.94 -1.26 -0.68 119.30 122.38 2wb4 s MET 55 Ca -0.30 0.51 -0.18 0.00 -1.71 0.00 0.00 55.69 54.00 2wb4 s MET 55 Cb 0.11 -3.71 0.05 0.00 2.01 0.00 0.00 34.83 33.29 2wb4 s MET 55 CO 0.39 -0.58 0.50 -1.64 -0.01 0.00 0.00 175.02 173.68 2wb4 s MET 56 N 2.74 0.62 0.60 2.03 -1.94 -1.26 -4.73 119.30 117.36 2wb4 s MET 56 Ca 0.29 0.62 -0.20 0.00 -1.71 0.00 0.00 55.69 54.69 2wb4 s MET 56 Cb -0.15 0.30 -0.03 0.00 2.01 0.00 0.00 34.83 36.96 2wb4 s MET 56 CO 0.11 -0.09 1.33 -1.25 -0.01 0.00 0.00 175.02 175.11 2wb4 s PRO 57 N 0.08 2.82 6.03 2.03 0.04 -1.26 -4.31 135.00 140.43 2wb4 s PRO 57 Ca -0.02 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2wb4 s PRO 57 Cb -0.03 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2wb4 s PRO 57 CO 0.01 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.05 2wb4 n GLY 58 N 0.82 1.34 3.68 0.56 0.00 -1.26 -4.74 105.19 105.59 2wb4 n GLY 58 Ca 0.13 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2wb4 n GLY 58 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wb4 s MET 59 N 0.00 4.14 0.68 1.61 -2.45 -1.26 -5.00 119.30 117.02 2wb4 s MET 59 Ca 0.00 2.57 -0.02 0.00 -1.25 0.00 0.00 55.69 56.99 2wb4 s MET 59 Cb 0.00 -3.81 0.09 0.00 1.25 0.00 0.00 34.83 32.37 2wb4 s MET 59 CO 0.00 -0.87 0.95 0.16 1.05 0.00 0.00 175.02 176.31 2wb4 s ASP 60 N 3.31 4.62 0.38 1.11 1.47 -1.26 -4.41 116.67 121.89 2wb4 s ASP 60 Ca 0.83 -0.12 0.08 0.00 1.18 0.00 0.00 52.55 54.52 2wb4 s ASP 60 Cb -0.44 -0.43 0.74 0.00 -0.34 0.00 0.00 42.92 42.45 2wb4 s ASP 60 CO 0.38 -1.66 1.91 1.23 0.68 0.00 0.00 175.17 177.71 2wb4 h GLY 61 N -0.42 0.36 1.10 2.12 0.00 -1.04 -1.55 103.07 103.63 2wb4 h GLY 61 Ca -0.39 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 2wb4 h GLY 61 CO 0.46 0.20 0.05 0.74 0.00 0.00 0.00 176.54 177.99 2wb4 h PHE 62 N 0.32 1.17 -0.26 5.60 0.04 -1.87 0.09 116.94 122.04 2wb4 h PHE 62 Ca 0.07 -0.18 -0.16 0.00 2.80 0.00 0.00 57.97 60.49 2wb4 h PHE 62 Cb 0.33 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2wb4 h PHE 62 CO 0.01 1.00 -0.48 1.15 -0.60 0.00 0.00 178.31 179.39 2wb4 h THR 63 N 1.00 1.29 -0.36 -1.55 2.02 -1.88 -1.40 112.91 112.03 2wb4 h THR 63 Ca 0.19 -1.68 0.04 0.00 0.77 0.00 0.00 66.41 65.73 2wb4 h THR 63 Cb 0.51 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 2wb4 h THR 63 CO 0.02 0.54 0.12 0.58 0.37 0.00 0.00 175.52 177.15 2wb4 h VAL 64 N 0.53 0.88 -0.23 3.16 2.07 -1.14 -1.34 116.25 120.18 2wb4 h VAL 64 Ca 0.01 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 2wb4 h VAL 64 Cb 1.08 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2wb4 h VAL 64 CO 0.11 0.05 -0.30 0.00 0.02 0.00 0.00 177.57 177.44 2wb4 h ARG 66 N 0.41 -0.06 -0.35 0.00 3.08 -0.97 -2.79 114.38 113.70 2wb4 h ARG 66 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2wb4 h ARG 66 Cb 0.74 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2wb4 h ARG 66 CO 0.06 0.08 0.17 0.87 -1.07 0.00 0.00 179.97 180.08 2wb4 h LYS 67 N -0.18 0.47 -0.45 0.04 1.57 -0.85 -0.33 116.57 116.84 2wb4 h LYS 67 Ca -0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2wb4 h LYS 67 Cb 0.16 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2wb4 h LYS 67 CO 0.01 0.37 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.16 2wb4 h LEU 68 N 0.48 0.73 0.00 2.94 3.38 -1.06 -2.73 115.31 119.06 2wb4 h LEU 68 Ca 0.12 -0.18 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 2wb4 h LEU 68 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2wb4 h LEU 68 CO -0.02 0.82 -1.07 0.11 0.09 0.00 0.00 178.44 178.37 2wb4 h LYS 69 N 0.71 0.00 0.00 1.13 1.79 -1.02 -2.79 116.57 116.38 2wb4 h LYS 69 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2wb4 h LYS 69 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2wb4 h LYS 69 CO 0.02 0.92 0.00 -0.25 -1.08 0.00 0.00 179.45 179.07 2wb4 n ASP 70 N -3.31 0.00 -4.65 0.86 8.00 -0.23 -4.59 116.55 112.62 2wb4 n ASP 70 Ca -0.02 0.18 -0.36 0.00 0.71 0.00 0.00 54.79 55.30 2wb4 n ASP 70 Cb 0.95 -0.38 -0.09 0.00 -0.02 0.00 0.00 41.12 41.57 2wb4 n ASP 70 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wb4 s ASP 71 N -2.77 5.98 0.49 -2.24 2.15 -1.05 -5.00 116.67 114.23 2wb4 s ASP 71 Ca 0.20 0.11 0.17 0.00 0.43 0.00 0.00 52.55 53.45 2wb4 s ASP 71 Cb 0.18 -2.06 1.20 0.00 -0.30 0.00 0.00 42.92 41.93 2wb4 s ASP 71 CO 0.44 0.10 2.06 1.55 -0.17 0.00 0.00 175.17 179.15 2wb4 h PRO 72 N 7.26 0.16 -0.56 4.34 0.13 -1.88 0.45 132.00 141.91 2wb4 h PRO 72 Ca -0.38 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 2wb4 h PRO 72 Cb 1.17 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2wb4 h PRO 72 CO 0.68 0.11 0.02 1.15 -0.23 0.00 0.00 178.00 179.72 2wb4 h THR 73 N 0.16 1.26 0.00 1.56 2.02 -1.94 -3.30 112.91 112.67 2wb4 h THR 73 Ca 0.15 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.27 2wb4 h THR 73 Cb 0.39 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2wb4 h THR 73 CO -0.02 0.38 -1.11 0.35 0.37 0.00 0.00 175.52 175.49 2wb4 n THR 74 N -4.20 0.00 -0.33 3.16 -2.24 -0.95 -4.61 114.28 105.11 2wb4 n THR 74 Ca 0.03 -0.23 0.24 0.00 -2.27 0.00 0.00 64.05 61.82 2wb4 n THR 74 Cb 0.32 0.65 0.47 0.00 -2.10 0.00 0.00 70.33 69.66 2wb4 n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wb4 h ARG 75 N 0.00 0.16 0.00 -0.78 2.43 -0.63 -0.10 114.38 115.46 2wb4 h ARG 75 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wb4 h ARG 75 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2wb4 h ARG 75 CO 0.00 0.10 0.00 -2.39 -1.51 0.00 0.00 179.97 176.17 2wb4 n HIS 76 N -5.19 0.00 -2.68 2.20 1.44 -1.26 -4.82 115.22 104.91 2wb4 n HIS 76 Ca 0.32 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.60 2wb4 n HIS 76 Cb 1.03 -0.48 -0.02 0.00 0.12 0.00 0.00 29.99 30.63 2wb4 n HIS 76 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2wb4 s ILE 77 N -2.97 4.74 0.15 0.61 1.01 -0.05 -5.01 121.20 119.67 2wb4 s ILE 77 Ca 0.12 2.03 -0.31 0.00 0.00 0.00 0.00 60.65 62.49 2wb4 s ILE 77 Cb 0.16 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 2wb4 s ILE 77 CO 0.43 -0.08 1.43 -2.84 0.00 0.00 0.00 174.94 173.88 2wb4 s PRO 78 N 2.58 4.30 -0.10 2.79 0.02 -1.26 -4.90 135.00 138.42 2wb4 s PRO 78 Ca 0.46 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.64 2wb4 s PRO 78 Cb -0.17 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 2wb4 s PRO 78 CO 0.12 -0.46 -0.07 0.08 -0.33 0.00 0.00 177.00 176.34 2wb4 s VAL 79 N 0.91 3.61 -0.18 3.83 1.01 -1.26 -2.00 120.40 126.31 2wb4 s VAL 79 Ca 0.65 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 2wb4 s VAL 79 Cb -0.39 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.49 2wb4 s VAL 79 CO 0.32 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 175.14 2wb4 s VAL 80 N -0.25 2.58 0.04 2.92 1.01 0.82 -0.56 120.40 126.96 2wb4 s VAL 80 Ca 0.03 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 2wb4 s VAL 80 Cb -0.13 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 2wb4 s VAL 80 CO 0.03 0.50 0.64 -0.76 0.00 0.00 0.00 175.10 175.51 2wb4 s LEU 81 N 1.16 4.46 -0.12 3.92 1.43 -0.74 -0.55 118.68 128.24 2wb4 s LEU 81 Ca 0.01 1.28 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2wb4 s LEU 81 Cb -0.14 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.09 2wb4 s LEU 81 CO -0.06 0.12 -0.03 -0.63 0.23 0.00 0.00 176.35 175.98 2wb4 s ILE 82 N -0.40 0.78 -0.03 -0.59 1.01 -0.30 -0.83 121.20 120.83 2wb4 s ILE 82 Ca 0.33 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.51 2wb4 s ILE 82 Cb -0.19 -0.94 0.04 0.00 0.01 0.00 0.00 42.46 41.37 2wb4 s ILE 82 CO 0.20 0.21 0.42 0.28 0.00 0.00 0.00 174.94 176.05 2wb4 s THR 83 N 1.79 0.04 0.12 2.92 -1.32 -0.62 -3.84 115.64 114.73 2wb4 s THR 83 Ca 0.03 -0.32 0.25 0.00 -1.21 0.00 0.00 61.69 60.45 2wb4 s THR 83 Cb -0.14 -0.72 0.26 0.00 -1.51 0.00 0.00 72.50 70.39 2wb4 s THR 83 CO -0.07 -0.17 1.85 0.00 -2.21 0.00 0.00 174.62 174.01 2wb4 h ALA 84 N 3.69 1.02 -2.76 11.08 0.00 -1.87 0.11 119.26 130.53 2wb4 h ALA 84 Ca -0.29 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 53.93 2wb4 h ALA 84 Cb 1.17 -0.03 0.07 0.00 0.00 0.00 0.00 17.79 19.00 2wb4 h ALA 84 CO 0.39 0.23 0.86 -0.51 0.00 0.00 0.00 179.25 180.22 2wb4 s LEU 85 N -6.68 4.36 0.00 0.00 2.01 -1.26 -4.73 118.68 112.38 2wb4 s LEU 85 Ca 0.01 2.83 0.00 0.00 0.01 0.00 0.00 54.13 56.98 2wb4 s LEU 85 Cb 0.10 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.67 2wb4 s LEU 85 CO 0.62 -0.85 0.01 -0.90 1.01 0.00 0.00 176.35 176.24 2wb4 n ASP 86 N 2.54 0.03 -4.70 2.29 5.68 -1.26 -4.70 116.55 116.43 2wb4 n ASP 86 Ca 0.09 -0.46 -0.41 0.00 -0.50 0.00 0.00 54.79 53.51 2wb4 n ASP 86 Cb 0.38 0.87 0.01 0.00 -1.14 0.00 0.00 41.12 41.24 2wb4 n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wb4 n GLY 87 N 0.87 0.54 0.22 6.12 0.00 -1.26 -4.89 105.19 106.79 2wb4 n GLY 87 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2wb4 n GLY 87 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wb4 h ARG 88 N 2.01 0.71 -0.62 1.61 2.43 -1.99 -2.44 114.38 116.08 2wb4 h ARG 88 Ca -0.48 -0.22 0.13 0.00 -0.81 0.00 0.00 59.98 58.60 2wb4 h ARG 88 Cb 1.30 -0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.66 2wb4 h ARG 88 CO 0.59 0.78 -0.14 0.78 -1.51 0.00 0.00 179.97 180.48 2wb4 h GLY 89 N 0.54 0.48 1.43 2.80 0.00 -2.00 -0.91 103.07 105.42 2wb4 h GLY 89 Ca 0.12 0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.54 2wb4 h GLY 89 CO 0.02 -0.23 -0.18 -0.55 0.00 0.00 0.00 176.54 175.59 2wb4 h ASP 90 N 0.01 0.67 -0.47 0.19 3.32 -1.91 -1.36 116.42 116.86 2wb4 h ASP 90 Ca 0.30 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wb4 h ASP 90 Cb 0.47 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2wb4 h ASP 90 CO -0.63 0.85 0.28 -0.09 -1.72 0.00 0.00 179.24 177.93 2wb4 h ARG 91 N 0.60 0.64 -0.30 3.56 2.43 -0.82 -1.36 114.38 119.13 2wb4 h ARG 91 Ca 0.09 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 2wb4 h ARG 91 Cb 0.64 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2wb4 h ARG 91 CO 0.05 0.47 -0.20 0.82 -1.51 0.00 0.00 179.97 179.60 2wb4 h ILE 92 N 0.62 1.30 -0.31 1.20 2.04 -0.95 -1.47 117.51 119.95 2wb4 h ILE 92 Ca 0.17 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.72 2wb4 h ILE 92 Cb 0.00 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2wb4 h ILE 92 CO -0.03 0.42 0.21 -0.61 0.00 0.00 0.00 178.15 178.14 2wb4 h GLN 93 N 0.41 0.33 0.08 2.37 4.15 -1.16 -0.24 115.11 121.05 2wb4 h GLN 93 Ca 0.06 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2wb4 h GLN 93 Cb 0.74 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2wb4 h GLN 93 CO 0.05 0.22 -0.04 0.78 -1.93 0.00 0.00 178.83 177.91 2wb4 h GLY 94 N 0.34 -0.12 1.68 2.39 0.00 -0.82 -2.71 103.07 103.83 2wb4 h GLY 94 Ca 0.12 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 2wb4 h GLY 94 CO -0.03 -0.04 -0.34 1.41 0.00 0.00 0.00 176.54 177.54 2wb4 h LEU 95 N -0.50 0.38 -1.25 3.11 3.38 -0.87 -2.72 115.31 116.84 2wb4 h LEU 95 Ca -0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2wb4 h LEU 95 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wb4 h LEU 95 CO 0.02 0.70 -0.26 -0.33 0.09 0.00 0.00 178.44 178.65 2wb4 h GLU 96 N 0.32 0.00 -0.11 1.13 5.08 -1.10 -2.10 114.58 117.79 2wb4 h GLU 96 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2wb4 h GLU 96 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2wb4 h GLU 96 CO 0.06 0.26 0.00 -1.13 -1.00 0.00 0.00 179.01 177.20 2wb4 n SER 97 N -3.56 1.22 0.00 1.42 3.41 -1.02 -4.90 113.62 110.19 2wb4 n SER 97 Ca -0.01 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 2wb4 n SER 97 Cb 0.41 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2wb4 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wb4 n GLY 98 N 1.05 1.11 3.77 5.00 0.00 -0.79 -4.23 105.19 111.10 2wb4 n GLY 98 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2wb4 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb4 s ALA 99 N -2.00 3.29 0.22 4.61 0.00 -1.18 -4.75 121.76 121.95 2wb4 s ALA 99 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.90 2wb4 s ALA 99 Cb 0.00 -3.35 0.19 0.00 0.00 0.00 0.00 23.12 19.96 2wb4 s ALA 99 CO 0.00 -0.33 1.54 0.77 0.00 0.00 0.00 175.76 177.74 2wb4 h SER 100 N 3.21 0.42 -5.15 0.00 0.02 -1.20 -3.44 113.55 107.42 2wb4 h SER 100 Ca -0.48 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.20 2wb4 h SER 100 Cb 1.22 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 63.54 2wb4 h SER 100 CO 0.65 0.91 -0.05 -0.62 -1.14 0.00 0.00 176.83 176.57 2wb4 s ASP 101 N -6.91 -0.16 -0.20 3.07 -1.08 -1.23 -5.03 116.67 105.12 2wb4 s ASP 101 Ca -0.05 -0.68 -0.04 0.00 -0.52 0.00 0.00 52.55 51.26 2wb4 s ASP 101 Cb 0.12 0.57 0.06 0.00 -1.46 0.00 0.00 42.92 42.21 2wb4 s ASP 101 CO 0.82 -1.08 0.07 0.12 0.52 0.00 0.00 175.17 175.61 2wb4 s PHE 102 N -3.93 0.71 -0.13 -5.34 2.19 -1.26 -1.80 117.98 108.42 2wb4 s PHE 102 Ca 0.14 -0.71 -0.02 0.00 0.33 0.00 0.00 56.93 56.68 2wb4 s PHE 102 Cb -0.01 -0.93 -0.03 0.00 -1.31 0.00 0.00 43.02 40.75 2wb4 s PHE 102 CO 0.02 -0.60 -0.07 -0.51 1.83 0.00 0.00 175.22 175.89 2wb4 s LEU 103 N 1.96 3.11 -0.11 6.12 1.43 -0.01 -5.00 118.68 126.18 2wb4 s LEU 103 Ca 0.01 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 2wb4 s LEU 103 Cb -0.17 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2wb4 s LEU 103 CO -0.11 0.22 0.35 -0.89 0.23 0.00 0.00 176.35 176.15 2wb4 s THR 104 N 0.03 5.22 0.44 5.49 2.01 -1.26 -1.59 115.64 125.99 2wb4 s THR 104 Ca -0.01 0.68 -0.23 0.00 0.31 0.00 0.00 61.69 62.44 2wb4 s THR 104 Cb -0.14 -3.67 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 2wb4 s THR 104 CO 0.03 0.44 1.12 -0.54 -0.69 0.00 0.00 174.62 174.99 2wb4 s LYS 105 N -0.01 3.88 0.03 4.92 1.02 0.38 -3.92 119.74 126.03 2wb4 s LYS 105 Ca 0.20 1.67 -0.25 0.00 0.02 0.00 0.00 55.97 57.62 2wb4 s LYS 105 Cb -0.14 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 2wb4 s LYS 105 CO 0.08 -0.43 0.76 -1.25 -0.92 0.00 0.00 175.35 173.59 2wb4 s PRO 106 N -2.67 4.49 0.42 -1.68 0.04 -1.26 -4.82 135.00 129.52 2wb4 s PRO 106 Ca 0.62 1.05 -0.22 0.00 0.04 0.00 0.00 61.00 62.49 2wb4 s PRO 106 Cb -0.26 -3.38 -0.10 0.00 0.04 0.00 0.00 34.50 30.80 2wb4 s PRO 106 CO 0.32 0.24 0.98 0.96 0.04 0.00 0.00 177.00 179.54 2wb4 s ILE 107 N 0.10 4.16 -0.31 0.56 -4.36 -1.25 -4.99 121.20 115.10 2wb4 s ILE 107 Ca 0.39 1.45 -0.29 0.00 -0.26 0.00 0.00 60.65 61.93 2wb4 s ILE 107 Cb -0.20 -3.64 0.00 0.00 1.25 0.00 0.00 42.46 39.87 2wb4 s ILE 107 CO 0.22 -0.19 1.32 -0.62 0.24 0.00 0.00 174.94 175.91 2wb4 s ASP 108 N -1.98 6.62 0.18 4.36 -1.08 -1.26 -4.93 116.67 118.58 2wb4 s ASP 108 Ca 0.61 1.16 -0.12 0.00 -0.52 0.00 0.00 52.55 53.68 2wb4 s ASP 108 Cb -0.14 -2.54 0.09 0.00 -1.46 0.00 0.00 42.92 38.88 2wb4 s ASP 108 CO 0.18 -1.13 1.79 0.44 0.52 0.00 0.00 175.17 176.97 2wb4 h ASP 109 N 9.50 0.78 -0.92 -0.34 3.32 -1.99 -1.20 116.42 125.58 2wb4 h ASP 109 Ca -0.26 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 56.74 2wb4 h ASP 109 Cb 1.10 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.39 2wb4 h ASP 109 CO 1.04 0.65 0.60 0.58 -1.72 0.00 0.00 179.24 180.39 2wb4 h VAL 110 N 0.85 1.11 -0.09 -1.35 2.07 -2.00 -1.12 116.25 115.73 2wb4 h VAL 110 Ca 0.22 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 2wb4 h VAL 110 Cb 0.05 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 2wb4 h VAL 110 CO -0.03 0.20 -0.31 -0.03 0.02 0.00 0.00 177.57 177.41 2wb4 h MET 111 N 1.10 0.36 -0.31 1.57 -1.53 -1.91 -2.57 114.93 111.65 2wb4 h MET 111 Ca 0.38 -0.28 0.06 0.00 -3.44 0.00 0.00 59.70 56.43 2wb4 h MET 111 Cb 0.10 0.05 -0.06 0.00 -0.55 0.00 0.00 31.60 31.14 2wb4 h MET 111 CO -0.13 0.91 -0.08 1.25 0.14 0.00 0.00 176.91 179.00 2wb4 h LEU 112 N -0.10 -0.29 -0.80 3.39 5.85 -0.77 -0.05 115.31 122.53 2wb4 h LEU 112 Ca -0.02 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2wb4 h LEU 112 Cb 0.95 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2wb4 h LEU 112 CO 0.07 -0.10 -0.09 -0.26 -0.34 0.00 0.00 178.44 177.71 2wb4 h PHE 113 N -0.00 0.88 -0.71 1.25 0.04 -1.26 0.93 116.94 118.06 2wb4 h PHE 113 Ca 0.15 -0.16 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 2wb4 h PHE 113 Cb 0.23 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2wb4 h PHE 113 CO -0.30 0.86 0.20 0.00 -0.60 0.00 0.00 178.31 178.47 2wb4 h ALA 114 N 1.16 1.01 -0.20 2.45 0.00 -1.07 -1.10 119.26 121.52 2wb4 h ALA 114 Ca 0.13 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2wb4 h ALA 114 Cb 0.58 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wb4 h ALA 114 CO 0.04 0.65 -0.19 -0.09 0.00 0.00 0.00 179.25 179.66 2wb4 h ARG 115 N 1.06 0.48 -0.93 0.00 9.65 -0.45 -1.01 114.38 123.19 2wb4 h ARG 115 Ca 0.23 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2wb4 h ARG 115 Cb 0.33 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 2wb4 h ARG 115 CO -0.00 0.82 0.58 0.28 2.80 0.00 0.00 179.97 184.45 2wb4 h VAL 116 N 0.15 1.25 -0.13 0.20 2.07 -0.68 -1.27 116.25 117.83 2wb4 h VAL 116 Ca 0.03 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 2wb4 h VAL 116 Cb 0.73 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2wb4 h VAL 116 CO 0.05 0.25 -0.39 0.03 0.02 0.00 0.00 177.57 177.53 2wb4 h ARG 117 N 1.27 0.29 -0.28 1.57 3.08 -1.10 -1.81 114.38 117.41 2wb4 h ARG 117 Ca 0.34 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 2wb4 h ARG 117 Cb -0.10 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2wb4 h ARG 117 CO -0.07 0.64 0.03 1.03 -1.07 0.00 0.00 179.97 180.54 2wb4 h SER 118 N 0.25 0.46 -0.37 7.04 0.87 -0.28 -2.44 113.55 119.07 2wb4 h SER 118 Ca 0.02 -0.27 -0.10 0.00 -1.23 0.00 0.00 61.79 60.21 2wb4 h SER 118 Cb 0.80 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 2wb4 h SER 118 CO 0.06 0.62 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.80 2wb4 h LEU 119 N 0.28 0.81 -1.03 2.23 3.38 -1.07 -2.52 115.31 117.39 2wb4 h LEU 119 Ca 0.08 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2wb4 h LEU 119 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2wb4 h LEU 119 CO 0.01 0.94 -0.38 0.71 0.09 0.00 0.00 178.44 179.81 2wb4 h THR 120 N 0.74 0.95 0.00 0.22 1.35 -1.31 -1.92 112.91 112.94 2wb4 h THR 120 Ca 0.12 -1.48 -0.14 0.00 -0.55 0.00 0.00 66.41 64.37 2wb4 h THR 120 Cb 0.61 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 2wb4 h THR 120 CO 0.04 0.37 -0.67 -0.09 -0.25 0.00 0.00 175.52 174.92 2wb4 h ARG 121 N 0.00 0.00 0.15 4.72 2.43 -1.01 -3.01 114.38 117.66 2wb4 h ARG 121 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 2wb4 h ARG 121 Cb 0.85 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.41 2wb4 h ARG 121 CO 0.05 0.67 -1.35 0.74 -1.51 0.00 0.00 179.97 178.57 2wb4 h PHE 122 N 0.00 0.58 0.00 2.20 0.04 -1.36 -3.29 116.94 115.11 2wb4 h PHE 122 Ca -0.01 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2wb4 h PHE 122 Cb 1.23 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2wb4 h PHE 122 CO 0.00 1.36 0.00 1.17 -0.60 0.00 0.00 178.31 180.24 2wb4 n LYS 123 N -3.55 0.15 -0.10 1.51 4.81 -0.74 -1.92 118.16 118.32 2wb4 n LYS 123 Ca -0.12 0.49 -0.12 0.00 -0.87 0.00 0.00 58.31 57.69 2wb4 n LYS 123 Cb 1.04 -1.85 -0.04 0.00 0.02 0.00 0.00 35.03 34.21 2wb4 n LYS 123 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2wb4 h LEU 124 N 0.00 0.66 0.18 3.14 3.38 -1.60 0.10 115.31 121.17 2wb4 h LEU 124 Ca 0.00 -0.42 -0.27 0.00 0.09 0.00 0.00 57.88 57.28 2wb4 h LEU 124 Cb 0.20 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 40.79 2wb4 h LEU 124 CO 0.00 0.94 -1.16 0.58 0.09 0.00 0.00 178.44 178.89 2wb4 h VAL 125 N 0.39 1.37 -0.27 1.22 2.07 -1.60 -2.62 116.25 116.81 2wb4 h VAL 125 Ca 0.06 -2.56 -0.11 0.00 0.82 0.00 0.00 66.70 64.91 2wb4 h VAL 125 Cb 0.70 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 2wb4 h VAL 125 CO 0.05 0.75 -0.31 0.40 0.02 0.00 0.00 177.57 178.48 2wb4 h ILE 126 N -0.02 1.28 -0.64 4.57 2.04 -1.61 -2.46 117.51 120.68 2wb4 h ILE 126 Ca -0.20 -1.41 -0.08 0.00 1.00 0.00 0.00 64.86 64.17 2wb4 h ILE 126 Cb 1.89 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 2wb4 h ILE 126 CO 0.22 0.45 0.07 0.44 0.00 0.00 0.00 178.15 179.33 2wb4 h ASP 127 N 0.48 1.03 -0.43 1.72 3.32 -0.82 -0.08 116.42 121.63 2wb4 h ASP 127 Ca 0.06 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 2wb4 h ASP 127 Cb 0.78 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2wb4 h ASP 127 CO 0.06 1.04 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.52 2wb4 h GLU 128 N 0.99 0.77 -0.45 3.56 4.57 -1.29 -0.47 114.58 122.27 2wb4 h GLU 128 Ca 0.19 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 2wb4 h GLU 128 Cb 0.48 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 2wb4 h GLU 128 CO 0.02 0.86 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.48 2wb4 h LEU 129 N 0.61 0.85 -0.33 1.64 3.38 -1.37 -1.69 115.31 118.40 2wb4 h LEU 129 Ca 0.12 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2wb4 h LEU 129 Cb 0.52 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2wb4 h LEU 129 CO 0.03 1.00 0.20 0.03 0.09 0.00 0.00 178.44 179.79 2wb4 h ARG 130 N 0.75 0.40 -0.63 1.13 3.08 -0.82 -1.69 114.38 116.61 2wb4 h ARG 130 Ca 0.12 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 2wb4 h ARG 130 Cb 0.67 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 2wb4 h ARG 130 CO 0.05 0.26 0.39 0.37 -1.07 0.00 0.00 179.97 179.97 2wb4 h GLN 131 N 0.41 0.85 -0.73 0.04 4.15 -0.91 0.54 115.11 119.47 2wb4 h GLN 131 Ca 0.13 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 2wb4 h GLN 131 Cb -0.01 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.46 2wb4 h GLN 131 CO -0.05 0.60 0.32 0.00 -1.93 0.00 0.00 178.83 177.77 2wb4 h ARG 132 N 0.86 1.08 0.01 1.69 2.47 -1.26 -2.40 114.38 116.83 2wb4 h ARG 132 Ca 0.23 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2wb4 h ARG 132 Cb -0.04 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.10 2wb4 h ARG 132 CO -0.04 0.87 -0.01 1.49 0.56 0.00 0.00 179.97 182.84 2wb4 h GLU 133 N 1.04 -0.02 -0.45 0.04 4.81 -0.55 -2.03 114.58 117.41 2wb4 h GLU 133 Ca 0.25 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2wb4 h GLU 133 Cb 0.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2wb4 h GLU 133 CO -0.03 0.41 0.30 0.00 -0.73 0.00 0.00 179.01 178.96 2wb4 h ALA 134 N 0.53 1.82 0.35 2.92 0.00 0.03 0.09 119.26 125.00 2wb4 h ALA 134 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2wb4 h ALA 134 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wb4 h ALA 134 CO 0.00 0.12 -0.17 1.03 0.00 0.00 0.00 179.25 180.24 2wb4 h SER 135 N 0.48 -0.40 -0.80 0.00 0.87 -1.34 -1.68 113.55 110.69 2wb4 h SER 135 Ca 0.18 -0.07 0.19 0.00 -1.23 0.00 0.00 61.79 60.87 2wb4 h SER 135 Cb 0.13 0.10 -0.12 0.00 -0.44 0.00 0.00 62.40 62.07 2wb4 h SER 135 CO -0.05 -0.18 0.20 1.23 -0.53 0.00 0.00 176.83 177.51 2wb4 h GLY 136 N -0.60 1.16 0.98 5.77 0.00 -0.51 0.24 103.07 110.12 2wb4 h GLY 136 Ca -0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 2wb4 h GLY 136 CO 0.08 -0.26 -0.09 3.21 0.00 0.00 0.00 176.54 179.49 2wb4 h ARG 137 N 0.26 0.78 0.10 4.80 3.08 -0.84 -2.22 114.38 120.33 2wb4 h ARG 137 Ca 0.47 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2wb4 h ARG 137 Cb 0.86 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2wb4 h ARG 137 CO -0.56 0.90 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.10 2wb4 h ARG 138 N 0.60 -0.12 0.00 0.04 2.43 -0.64 -2.24 114.38 114.44 2wb4 h ARG 138 Ca 0.10 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2wb4 h ARG 138 Cb 0.61 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2wb4 h ARG 138 CO 0.04 0.05 0.02 0.00 -1.51 0.00 0.00 179.97 178.56 2wb4 n MET 139 N -5.08 0.06 -0.58 0.20 0.00 0.79 -4.84 117.12 107.68 2wb4 n MET 139 Ca -0.08 0.56 0.00 0.00 0.00 0.00 0.00 57.70 58.17 2wb4 n MET 139 Cb 0.14 -1.73 0.00 0.00 0.00 0.00 0.00 33.22 31.63 2wb4 n MET 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wb4 n GLY 140 N -1.40 0.78 0.07 3.17 0.00 -0.84 -5.02 105.19 101.96 2wb4 n GLY 140 Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 2wb4 n GLY 140 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wb4 n VAL 141 N -2.49 0.67 -2.19 1.61 0.31 -0.86 -5.00 118.33 110.38 2wb4 n VAL 141 Ca 0.00 0.33 -0.41 0.00 -0.01 0.00 0.00 64.34 64.25 2wb4 n VAL 141 Cb 0.05 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.08 2wb4 n VAL 141 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wb4 s ILE 142 N -1.85 3.14 0.44 2.52 1.01 -1.14 -4.97 121.20 120.36 2wb4 s ILE 142 Ca -0.13 0.94 0.03 0.00 0.00 0.00 0.00 60.65 61.49 2wb4 s ILE 142 Cb 0.02 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 2wb4 s ILE 142 CO 0.19 0.14 0.10 0.00 0.00 0.00 0.00 174.94 175.36 2wb4 s ALA 143 N 0.13 3.30 0.00 9.38 0.00 -1.26 -4.22 121.76 129.09 2wb4 s ALA 143 Ca 0.57 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2wb4 s ALA 143 Cb -0.37 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2wb4 s ALA 143 CO 0.39 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.31 2wb4 n GLY 144 N -1.03 3.95 2.71 0.00 0.00 -1.26 -5.08 105.19 104.48 2wb4 n GLY 144 Ca -0.10 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 2wb4 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb4 s ALA 145 N -2.00 -0.19 0.47 4.61 0.00 -1.26 -5.01 121.76 118.38 2wb4 s ALA 145 Ca 0.00 -1.04 0.26 0.00 0.00 0.00 0.00 51.96 51.18 2wb4 s ALA 145 Cb 0.00 -1.93 1.40 0.00 0.00 0.00 0.00 23.12 22.59 2wb4 s ALA 145 CO 0.00 -2.07 1.76 0.00 0.00 0.00 0.00 175.76 175.46 2wb4 h ALA 146 N 7.24 1.28 -0.12 0.00 0.00 -2.00 -2.54 119.26 123.11 2wb4 h ALA 146 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2wb4 h ALA 146 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wb4 h ALA 146 CO 0.23 -0.28 0.76 0.00 0.00 0.00 0.00 179.25 179.96 2wb4 h ALA 147 N 1.34 1.87 -0.04 0.00 0.00 -2.01 0.80 119.26 121.22 2wb4 h ALA 147 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wb4 h ALA 147 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wb4 h ALA 147 CO 0.00 -0.82 0.00 2.89 0.00 0.00 0.00 179.25 181.32 2wb4 n ARG 148 N -2.78 1.10 -3.66 0.00 1.85 -0.96 -4.85 116.66 107.35 2wb4 n ARG 148 Ca 0.02 -0.15 -0.35 0.00 -1.00 0.00 0.00 57.85 56.37 2wb4 n ARG 148 Cb 0.81 -1.04 -0.06 0.00 -1.05 0.00 0.00 32.46 31.12 2wb4 n ARG 148 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wb4 s LEU 149 N -1.02 4.38 0.25 2.89 2.01 0.27 -5.08 118.68 122.38 2wb4 s LEU 149 Ca 0.04 0.70 -0.05 0.00 0.01 0.00 0.00 54.13 54.83 2wb4 s LEU 149 Cb 0.02 -2.71 -0.02 0.00 0.01 0.00 0.00 46.19 43.49 2wb4 s LEU 149 CO 0.03 0.25 0.33 1.51 1.01 0.00 0.00 176.35 179.47 2wb4 s ASP 150 N -1.55 0.28 0.00 2.29 3.84 -1.26 -5.07 116.67 115.19 2wb4 s ASP 150 Ca 0.28 -1.26 0.17 0.00 -0.00 0.00 0.00 52.55 51.74 2wb4 s ASP 150 Cb -0.14 0.51 0.29 0.00 -1.38 0.00 0.00 42.92 42.21 2wb4 s ASP 150 CO 0.15 -1.04 1.21 0.61 -0.00 0.00 0.00 175.17 176.10 2wb4 n GLY 151 N -0.38 1.41 3.88 2.12 0.00 -1.26 -4.13 105.19 106.82 2wb4 n GLY 151 Ca 0.01 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2wb4 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wb4 s LEU 152 N -1.22 2.41 0.00 0.99 1.43 -1.26 -4.60 118.68 116.43 2wb4 s LEU 152 Ca 0.27 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 2wb4 s LEU 152 Cb 0.16 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.22 2wb4 s LEU 152 CO 0.23 -2.14 0.00 0.61 0.23 0.00 0.00 176.35 175.27 2wb4 n GLY 153 N -3.13 0.16 0.16 -3.19 0.00 -0.50 -5.02 105.19 93.66 2wb4 n GLY 153 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2wb4 n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb4 n GLY 154 N 0.00 -0.59 3.66 -0.02 0.00 -1.26 -4.33 105.19 102.65 2wb4 n GLY 154 Ca 0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 2wb4 n GLY 154 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wb4 s ARG 155 N -3.34 4.22 -0.20 1.61 6.06 -1.26 -1.23 118.95 124.81 2wb4 s ARG 155 Ca 0.00 0.73 -0.01 0.00 -2.50 0.00 0.00 55.73 53.95 2wb4 s ARG 155 Cb 0.00 -3.58 0.01 0.00 0.06 0.00 0.00 34.95 31.44 2wb4 s ARG 155 CO 0.00 -0.29 -0.14 0.08 -2.50 0.00 0.00 175.30 172.45 2wb4 s VAL 156 N 2.05 2.50 -0.36 7.11 1.01 -1.10 -1.56 120.40 130.06 2wb4 s VAL 156 Ca 0.31 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 2wb4 s VAL 156 Cb -0.16 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 2wb4 s VAL 156 CO 0.11 0.45 0.42 -0.22 0.00 0.00 0.00 175.10 175.86 2wb4 s LEU 157 N 1.34 4.47 -0.35 3.92 2.96 0.13 -1.67 118.68 129.48 2wb4 s LEU 157 Ca 0.04 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 53.59 2wb4 s LEU 157 Cb -0.14 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 2wb4 s LEU 157 CO -0.09 -0.42 0.27 -0.63 -1.32 0.00 0.00 176.35 174.15 2wb4 s ILE 158 N 2.16 5.26 -0.70 6.68 1.01 -0.45 0.10 121.20 135.27 2wb4 s ILE 158 Ca 0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 2wb4 s ILE 158 Cb -0.16 -3.75 0.18 0.00 0.01 0.00 0.00 42.46 38.74 2wb4 s ILE 158 CO 0.12 -0.05 0.56 -0.69 0.00 0.00 0.00 174.94 174.89 2wb4 s VAL 159 N 1.77 4.40 0.06 2.92 1.01 0.29 -1.56 120.40 129.29 2wb4 s VAL 159 Ca 0.07 -2.77 0.03 0.00 0.00 0.00 0.00 61.98 59.31 2wb4 s VAL 159 Cb -0.17 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2wb4 s VAL 159 CO 0.11 -0.93 -0.09 -0.62 0.00 0.00 0.00 175.10 173.56 2wb4 s ASP 160 N 1.25 1.12 -0.11 3.32 2.15 -1.16 -2.18 116.67 121.05 2wb4 s ASP 160 Ca 0.17 -0.63 0.08 0.00 0.43 0.00 0.00 52.55 52.60 2wb4 s ASP 160 Cb -0.17 0.02 -0.24 0.00 -0.30 0.00 0.00 42.92 42.24 2wb4 s ASP 160 CO -0.05 -0.21 0.39 -0.67 -0.17 0.00 0.00 175.17 174.46 2wb4 n ASP 161 N 1.19 1.11 -4.54 -0.34 -0.08 -1.26 -3.99 116.55 108.64 2wb4 n ASP 161 Ca -0.21 0.23 -0.41 0.00 -1.51 0.00 0.00 54.79 52.89 2wb4 n ASP 161 Cb 0.55 -0.08 -0.03 0.00 2.34 0.00 0.00 41.12 43.90 2wb4 n ASP 161 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2wb4 s ASN 162 N -6.24 6.19 0.26 1.67 2.47 -1.26 -4.89 114.94 113.14 2wb4 s ASN 162 Ca -0.13 -0.60 -0.02 0.00 0.42 0.00 0.00 52.86 52.54 2wb4 s ASN 162 Cb 0.07 -2.55 0.46 0.00 -1.45 0.00 0.00 41.25 37.79 2wb4 s ASN 162 CO 0.79 -1.77 1.82 -0.33 -3.72 0.00 0.00 177.10 173.90 2wb4 h GLU 163 N 9.96 0.87 -0.60 0.43 5.08 -2.00 -2.50 114.58 125.81 2wb4 h GLU 163 Ca -0.24 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 2wb4 h GLU 163 Cb 1.05 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2wb4 h GLU 163 CO 1.28 0.57 0.24 -0.09 -1.00 0.00 0.00 179.01 180.01 2wb4 h ARG 164 N 0.89 0.90 -0.38 2.33 9.65 -2.00 -2.01 114.38 123.77 2wb4 h ARG 164 Ca 0.44 -0.16 -0.13 0.00 -1.10 0.00 0.00 59.98 59.03 2wb4 h ARG 164 Cb 0.41 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2wb4 h ARG 164 CO -0.25 0.77 -0.27 0.37 2.80 0.00 0.00 179.97 183.39 2wb4 h GLN 165 N 0.83 0.80 -0.39 0.20 4.15 -1.90 -2.38 115.11 116.42 2wb4 h GLN 165 Ca 0.20 -0.35 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 2wb4 h GLN 165 Cb 0.21 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2wb4 h GLN 165 CO -0.02 0.98 0.07 0.00 -1.93 0.00 0.00 178.83 177.94 2wb4 h ALA 166 N 1.01 1.40 -0.28 3.38 0.00 -1.06 -0.91 119.26 122.78 2wb4 h ALA 166 Ca 0.08 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2wb4 h ALA 166 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wb4 h ALA 166 CO 0.07 0.43 -0.56 1.96 0.00 0.00 0.00 179.25 181.15 2wb4 h GLN 167 N 0.58 0.88 -0.59 0.00 4.20 -1.12 0.17 115.11 119.22 2wb4 h GLN 167 Ca 0.13 -0.57 -0.06 0.00 0.06 0.00 0.00 58.65 58.21 2wb4 h GLN 167 Cb 0.25 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2wb4 h GLN 167 CO 0.00 1.20 0.13 0.00 -0.67 0.00 0.00 178.83 179.49 2wb4 h ARG 168 N 0.67 0.96 0.51 1.46 3.08 -1.18 0.43 114.38 120.33 2wb4 h ARG 168 Ca 0.01 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2wb4 h ARG 168 Cb 1.17 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 2wb4 h ARG 168 CO 0.13 0.89 -0.31 0.28 -1.07 0.00 0.00 179.97 179.89 2wb4 h VAL 169 N 0.87 0.00 -0.98 2.04 2.07 -1.07 -2.46 116.25 116.72 2wb4 h VAL 169 Ca 0.18 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.92 2wb4 h VAL 169 Cb 0.38 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.05 2wb4 h VAL 169 CO 0.01 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.22 2wb4 h ALA 170 N -1.46 1.97 -0.00 1.67 0.00 -0.67 -1.06 119.26 119.71 2wb4 h ALA 170 Ca -0.07 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2wb4 h ALA 170 Cb 0.61 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2wb4 h ALA 170 CO 0.07 -0.33 -0.29 0.00 0.00 0.00 0.00 179.25 178.70 2wb4 h ALA 171 N 1.63 -0.40 0.00 0.00 0.00 -0.00 -2.58 119.26 117.91 2wb4 h ALA 171 Ca 0.55 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 2wb4 h ALA 171 Cb 1.14 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2wb4 h ALA 171 CO -0.30 -0.79 -0.39 1.49 0.00 0.00 0.00 179.25 179.26 2wb4 h GLU 172 N -0.43 0.00 0.00 0.00 4.57 -0.73 -2.48 114.58 115.51 2wb4 h GLU 172 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2wb4 h GLU 172 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2wb4 h GLU 172 CO -0.25 0.39 0.00 -0.07 -1.18 0.00 0.00 179.01 177.90 2wb4 h LEU 173 N 0.00 0.00 -1.13 1.64 3.38 -1.28 -3.39 115.31 114.53 2wb4 h LEU 173 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2wb4 h LEU 173 Cb 0.72 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 2wb4 h LEU 173 CO 0.05 0.00 0.60 1.23 0.09 0.00 0.00 178.44 180.41 2wb4 h GLY 174 N 4.45 1.45 1.65 0.83 0.00 -1.03 -1.45 103.07 108.97 2wb4 h GLY 174 Ca 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 2wb4 h GLY 174 CO 0.00 0.12 -0.67 -2.08 0.00 0.00 0.00 176.54 173.91 2wb4 h VAL 175 N 0.85 1.38 0.00 4.60 2.07 -1.79 -3.35 116.25 120.01 2wb4 h VAL 175 Ca 0.48 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2wb4 h VAL 175 Cb 0.61 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2wb4 h VAL 175 CO -0.24 0.62 -1.16 -0.62 0.02 0.00 0.00 177.57 176.19 2wb4 n GLU 176 N -3.85 1.29 -3.92 1.57 1.02 -1.05 -5.05 120.64 110.64 2wb4 n GLU 176 Ca -0.03 -0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 56.88 2wb4 n GLU 176 Cb 0.67 -1.29 -0.07 0.00 -0.02 0.00 0.00 31.44 30.73 2wb4 n GLU 176 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wb4 n HIS 177 N -1.66 -0.70 -3.90 -0.32 8.25 -0.57 -1.40 115.22 114.92 2wb4 n HIS 177 Ca 0.00 -2.41 -0.28 0.00 -0.26 0.00 0.00 57.72 54.77 2wb4 n HIS 177 Cb 0.32 0.25 -0.12 0.00 1.12 0.00 0.00 29.99 31.56 2wb4 n HIS 177 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2wb4 s ARG 178 N -3.16 2.40 0.47 -0.41 0.52 -0.36 -4.54 118.95 113.86 2wb4 s ARG 178 Ca 0.34 -3.27 -0.16 0.00 -0.52 0.00 0.00 55.73 52.12 2wb4 s ARG 178 Cb 0.02 -3.39 -0.08 0.00 0.52 0.00 0.00 34.95 32.02 2wb4 s ARG 178 CO 0.24 -1.27 0.92 -1.25 0.02 0.00 0.00 175.30 173.96 2wb4 s PRO 179 N -1.34 3.97 -0.11 3.54 0.04 -1.26 -2.69 135.00 137.14 2wb4 s PRO 179 Ca 0.24 0.87 -0.05 0.00 0.04 0.00 0.00 61.00 62.11 2wb4 s PRO 179 Cb -0.06 -2.21 0.05 0.00 0.04 0.00 0.00 34.50 32.32 2wb4 s PRO 179 CO -0.15 -0.16 0.24 0.08 0.04 0.00 0.00 177.00 177.05 2wb4 s VAL 180 N -2.46 -0.26 0.26 -0.36 1.01 -0.67 -4.91 120.40 113.01 2wb4 s VAL 180 Ca 0.58 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 2wb4 s VAL 180 Cb -0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 2wb4 s VAL 180 CO 0.27 0.10 0.63 -0.63 0.00 0.00 0.00 175.10 175.47 2wb4 s ILE 181 N 1.97 4.82 -0.26 2.22 1.01 -1.26 -1.33 121.20 128.36 2wb4 s ILE 181 Ca -0.02 0.71 -0.05 0.00 0.00 0.00 0.00 60.65 61.28 2wb4 s ILE 181 Cb -0.11 -3.63 0.14 0.00 0.01 0.00 0.00 42.46 38.86 2wb4 s ILE 181 CO -0.08 -0.09 0.51 -0.70 0.00 0.00 0.00 174.94 174.59 2wb4 s GLU 182 N -2.80 0.46 -0.14 2.79 2.56 -0.60 -4.90 118.70 116.06 2wb4 s GLU 182 Ca 0.49 1.01 0.18 0.00 0.00 0.00 0.00 54.97 56.66 2wb4 s GLU 182 Cb -0.11 0.33 -0.27 0.00 2.00 0.00 0.00 34.13 36.08 2wb4 s GLU 182 CO 0.19 -0.43 0.18 -1.13 -0.56 0.00 0.00 175.26 173.52 2wb4 n SER 183 N 5.41 0.18 -4.62 -1.70 3.41 -1.26 -2.98 113.62 112.06 2wb4 n SER 183 Ca -0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.12 2wb4 n SER 183 Cb 0.50 1.27 -0.02 0.00 -0.26 0.00 0.00 64.21 65.70 2wb4 n SER 183 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wb4 s ASP 184 N -5.11 6.56 0.29 4.04 -1.08 -1.26 -4.73 116.67 115.37 2wb4 s ASP 184 Ca -0.09 1.22 0.02 0.00 -0.52 0.00 0.00 52.55 53.17 2wb4 s ASP 184 Cb 0.08 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.45 2wb4 s ASP 184 CO 0.82 -1.18 1.78 1.55 0.52 0.00 0.00 175.17 178.66 2wb4 h PRO 185 N 9.81 0.59 -1.00 4.34 0.13 -1.97 -0.85 132.00 143.05 2wb4 h PRO 185 Ca -0.28 -0.17 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2wb4 h PRO 185 Cb 1.11 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.12 2wb4 h PRO 185 CO 1.04 0.69 0.66 0.93 -0.23 0.00 0.00 178.00 181.08 2wb4 h GLU 186 N 0.54 1.24 0.01 0.86 4.39 -2.00 -1.59 114.58 118.03 2wb4 h GLU 186 Ca 0.10 -0.07 -0.24 0.00 0.34 0.00 0.00 59.36 59.48 2wb4 h GLU 186 Cb 0.51 -0.28 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2wb4 h GLU 186 CO 0.03 0.82 -1.00 0.87 -1.16 0.00 0.00 179.01 178.57 2wb4 h LYS 187 N 1.28 0.50 0.00 2.33 1.57 -1.93 -3.27 116.57 117.06 2wb4 h LYS 187 Ca 0.39 -0.55 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2wb4 h LYS 187 Cb -0.02 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2wb4 h LYS 187 CO -0.12 1.19 -0.08 0.00 -0.57 0.00 0.00 179.45 179.87 2wb4 h ALA 188 N 0.61 1.67 -0.79 3.86 0.00 -0.44 0.13 119.26 124.30 2wb4 h ALA 188 Ca -0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2wb4 h ALA 188 Cb 1.65 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 2wb4 h ALA 188 CO 0.18 0.10 0.36 0.87 0.00 0.00 0.00 179.25 180.76 2wb4 h LYS 189 N 0.00 1.15 0.49 0.00 1.57 -1.36 -1.38 116.57 117.03 2wb4 h LYS 189 Ca -0.00 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2wb4 h LYS 189 Cb 0.16 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2wb4 h LYS 189 CO 0.01 0.90 -0.23 0.82 -0.57 0.00 0.00 179.45 180.38 2wb4 h ILE 190 N 1.13 0.23 -0.95 1.86 2.04 -0.89 -3.18 117.51 117.75 2wb4 h ILE 190 Ca 0.27 -0.52 0.18 0.00 1.00 0.00 0.00 64.86 65.78 2wb4 h ILE 190 Cb 0.15 0.35 -0.10 0.00 -0.74 0.00 0.00 36.82 36.47 2wb4 h ILE 190 CO -0.03 0.04 0.55 0.28 0.00 0.00 0.00 178.15 178.99 2wb4 h SER 191 N -1.08 0.69 -0.98 1.72 0.02 -1.35 0.21 113.55 112.78 2wb4 h SER 191 Ca -0.07 0.10 0.23 0.00 -0.84 0.00 0.00 61.79 61.21 2wb4 h SER 191 Cb 0.57 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.01 2wb4 h SER 191 CO 0.11 0.25 0.63 0.00 -1.14 0.00 0.00 176.83 176.68 2wb4 h ALA 192 N 1.62 2.12 0.00 3.77 0.00 -1.29 -1.61 119.26 123.88 2wb4 h ALA 192 Ca 0.54 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 2wb4 h ALA 192 Cb 0.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wb4 h ALA 192 CO -0.38 -0.48 -0.15 0.78 0.00 0.00 0.00 179.25 179.02 2wb4 h GLY 193 N 0.47 0.00 0.00 0.00 0.00 -0.55 -3.42 103.07 99.56 2wb4 h GLY 193 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2wb4 h GLY 193 CO -0.27 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.88 2wb4 n GLY 194 N -0.14 -0.92 3.41 4.60 0.00 -0.61 -4.90 105.19 106.64 2wb4 n GLY 194 Ca -0.00 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 2wb4 n GLY 194 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wb4 n PRO 195 N 0.00 2.93 -4.95 1.61 -0.04 -1.26 -4.95 135.00 128.35 2wb4 n PRO 195 Ca 0.00 -3.04 -0.32 0.00 -0.04 0.00 0.00 63.50 60.10 2wb4 n PRO 195 Cb 0.00 -3.47 -0.14 0.00 -0.04 0.00 0.00 33.50 29.85 2wb4 n PRO 195 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wb4 s VAL 196 N 4.73 2.73 -0.08 0.52 1.01 -1.26 -4.86 120.40 123.19 2wb4 s VAL 196 Ca 0.54 -0.94 0.19 0.00 0.00 0.00 0.00 61.98 61.77 2wb4 s VAL 196 Cb 0.06 -2.06 -0.28 0.00 0.00 0.00 0.00 36.38 34.09 2wb4 s VAL 196 CO 0.06 0.53 0.31 0.47 0.00 0.00 0.00 175.10 176.46 2wb4 n ASP 197 N 2.16 0.43 -3.63 3.32 8.00 -0.60 -5.00 116.55 121.23 2wb4 n ASP 197 Ca -0.17 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.21 2wb4 n ASP 197 Cb 0.52 1.58 -0.07 0.00 -0.02 0.00 0.00 41.12 43.12 2wb4 n ASP 197 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2wb4 s LEU 198 N -4.73 -0.65 -0.19 0.64 2.96 -1.13 -4.48 118.68 111.11 2wb4 s LEU 198 Ca -0.08 1.24 -0.04 0.00 -0.22 0.00 0.00 54.13 55.03 2wb4 s LEU 198 Cb 0.10 2.25 -0.02 0.00 0.50 0.00 0.00 46.19 49.02 2wb4 s LEU 198 CO 0.81 -0.21 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.91 2wb4 s VAL 199 N 0.38 3.80 -0.28 1.68 1.01 -0.50 0.20 120.40 126.69 2wb4 s VAL 199 Ca 0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 2wb4 s VAL 199 Cb -0.05 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2wb4 s VAL 199 CO -0.02 0.45 0.14 -0.63 0.00 0.00 0.00 175.10 175.04 2wb4 s ILE 200 N 0.83 4.76 0.05 2.22 1.01 0.11 -0.97 121.20 129.22 2wb4 s ILE 200 Ca -0.00 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.58 2wb4 s ILE 200 Cb -0.14 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2wb4 s ILE 200 CO 0.02 0.22 -0.12 -0.69 0.00 0.00 0.00 174.94 174.37 2wb4 s VAL 201 N 1.67 3.27 -0.47 2.92 1.01 -0.39 0.10 120.40 128.51 2wb4 s VAL 201 Ca 0.06 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 2wb4 s VAL 201 Cb -0.16 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.82 2wb4 s VAL 201 CO 0.07 0.29 0.63 0.21 0.00 0.00 0.00 175.10 176.30 2wb4 s ASN 202 N -1.67 6.27 0.39 3.32 3.84 -0.93 -0.05 114.94 126.12 2wb4 s ASN 202 Ca 0.18 -0.60 0.18 0.00 0.21 0.00 0.00 52.86 52.82 2wb4 s ASN 202 Cb -0.11 -2.31 0.81 0.00 -0.55 0.00 0.00 41.25 39.09 2wb4 s ASN 202 CO 0.09 -0.83 1.81 0.00 -2.79 0.00 0.00 177.10 175.38 2wb4 h ALA 203 N 8.94 1.17 -0.98 1.71 0.00 -1.56 -3.13 119.26 125.40 2wb4 h ALA 203 Ca -0.26 -0.32 -0.57 0.00 0.00 0.00 0.00 54.91 53.76 2wb4 h ALA 203 Cb 1.10 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.53 2wb4 h ALA 203 CO 0.92 0.43 0.73 0.00 0.00 0.00 0.00 179.25 181.33 2wb4 n ALA 204 N -2.36 5.82 -1.31 0.00 0.00 -1.25 -4.19 120.51 117.23 2wb4 n ALA 204 Ca -0.01 -3.05 -0.32 0.00 0.00 0.00 0.00 53.44 50.05 2wb4 n ALA 204 Cb 0.44 -1.56 0.08 0.00 0.00 0.00 0.00 19.45 18.41 2wb4 n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb4 s ALA 205 N -3.43 2.24 -0.22 0.00 0.00 -1.18 -4.99 121.76 114.17 2wb4 s ALA 205 Ca 0.59 0.47 0.07 0.00 0.00 0.00 0.00 51.96 53.09 2wb4 s ALA 205 Cb 0.48 -3.33 -0.20 0.00 0.00 0.00 0.00 23.12 20.07 2wb4 s ALA 205 CO 0.07 -1.70 -0.07 1.63 0.00 0.00 0.00 175.76 175.69 2wb4 n LYS 206 N -3.09 0.67 -0.01 0.00 5.02 -1.26 -4.59 118.16 114.91 2wb4 n LYS 206 Ca 0.10 0.11 0.13 0.00 -2.02 0.00 0.00 58.31 56.63 2wb4 n LYS 206 Cb 0.52 -1.54 0.26 0.00 -0.02 0.00 0.00 35.03 34.25 2wb4 n LYS 206 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wb4 n ASN 207 N -3.09 2.46 -3.83 4.39 4.13 -1.26 -4.97 115.26 113.09 2wb4 n ASN 207 Ca -0.40 -1.82 -0.08 0.00 1.68 0.00 0.00 54.58 53.97 2wb4 n ASN 207 Cb 1.05 -0.01 -0.02 0.00 -1.54 0.00 0.00 39.78 39.26 2wb4 n ASN 207 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2wb4 s PHE 208 N -1.98 -0.18 -0.63 3.10 -0.12 -1.26 -5.09 117.98 111.81 2wb4 s PHE 208 Ca 0.32 -0.25 -0.19 0.00 -0.05 0.00 0.00 56.93 56.76 2wb4 s PHE 208 Cb 0.20 0.65 0.11 0.00 -0.63 0.00 0.00 43.02 43.36 2wb4 s PHE 208 CO 0.31 -1.18 0.75 0.34 -0.05 0.00 0.00 175.22 175.39 2wb4 s ASP 209 N -2.91 6.25 0.28 1.98 -1.08 -1.26 -4.39 116.67 115.53 2wb4 s ASP 209 Ca 0.11 -1.56 -0.07 0.00 -0.52 0.00 0.00 52.55 50.51 2wb4 s ASP 209 Cb -0.05 -2.31 0.46 0.00 -1.46 0.00 0.00 42.92 39.57 2wb4 s ASP 209 CO 0.05 -1.08 1.53 0.61 0.52 0.00 0.00 175.17 176.80 2wb4 n GLY 210 N 5.21 -1.64 0.27 2.66 0.00 -1.25 -1.03 105.19 109.40 2wb4 n GLY 210 Ca -0.05 1.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.90 2wb4 n GLY 210 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wb4 h LEU 211 N 0.00 0.96 0.19 0.99 3.38 -1.86 -1.47 115.31 117.50 2wb4 h LEU 211 Ca 0.48 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2wb4 h LEU 211 Cb 0.74 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2wb4 h LEU 211 CO -1.01 1.15 -0.22 -0.09 0.09 0.00 0.00 178.44 178.36 2wb4 h ARG 212 N 0.76 -0.44 -0.83 1.13 2.43 -1.61 0.90 114.38 116.72 2wb4 h ARG 212 Ca 0.10 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.42 2wb4 h ARG 212 Cb 0.80 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 2wb4 h ARG 212 CO 0.07 -0.29 0.44 0.35 -1.51 0.00 0.00 179.97 179.02 2wb4 h PHE 213 N -0.46 0.79 -0.58 2.20 3.57 -0.83 -0.45 116.94 121.18 2wb4 h PHE 213 Ca 0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2wb4 h PHE 213 Cb 0.44 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2wb4 h PHE 213 CO -0.18 0.25 0.07 1.15 -2.23 0.00 0.00 178.31 177.37 2wb4 h THR 214 N 0.68 1.25 -0.47 4.41 2.02 -0.76 -2.43 112.91 117.62 2wb4 h THR 214 Ca 0.43 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.64 2wb4 h THR 214 Cb 0.51 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 2wb4 h THR 214 CO -0.31 0.37 0.25 0.00 0.37 0.00 0.00 175.52 176.20 2wb4 h ALA 215 N 1.17 0.60 -0.77 6.16 0.00 0.62 -2.04 119.26 125.00 2wb4 h ALA 215 Ca 0.18 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.19 2wb4 h ALA 215 Cb 0.43 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2wb4 h ALA 215 CO 0.01 -0.09 0.42 0.00 0.00 0.00 0.00 179.25 179.59 2wb4 h ALA 216 N 1.24 1.08 -0.41 0.00 0.00 -0.73 0.21 119.26 120.65 2wb4 h ALA 216 Ca 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wb4 h ALA 216 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2wb4 h ALA 216 CO -0.13 0.04 0.24 -0.07 0.00 0.00 0.00 179.25 179.33 2wb4 h LEU 217 N 0.71 0.49 -0.84 0.00 3.38 -1.08 -1.84 115.31 116.14 2wb4 h LEU 217 Ca 0.37 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 2wb4 h LEU 217 Cb 0.35 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2wb4 h LEU 217 CO -0.25 0.41 0.30 0.03 0.09 0.00 0.00 178.44 179.02 2wb4 h ARG 218 N 0.54 1.16 -0.44 1.13 2.47 -0.59 -2.96 114.38 115.68 2wb4 h ARG 218 Ca 0.15 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2wb4 h ARG 218 Cb 0.01 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 2wb4 h ARG 218 CO -0.03 0.94 0.20 0.66 0.56 0.00 0.00 179.97 182.30 2wb4 h SER 219 N 1.13 0.59 -3.38 7.04 4.64 -0.37 -3.41 113.55 119.79 2wb4 h SER 219 Ca 0.26 -0.14 -0.52 0.00 -0.47 0.00 0.00 61.79 60.91 2wb4 h SER 219 Cb 0.22 -0.15 0.03 0.00 -0.31 0.00 0.00 62.40 62.18 2wb4 h SER 219 CO -0.02 0.57 0.62 -1.61 -0.87 0.00 0.00 176.83 175.52 2wb4 s GLU 220 N -5.64 4.42 0.16 4.77 2.02 -0.71 -4.93 118.70 118.78 2wb4 s GLU 220 Ca -0.13 1.99 -0.11 0.00 0.02 0.00 0.00 54.97 56.74 2wb4 s GLU 220 Cb 0.11 -3.22 0.04 0.00 0.10 0.00 0.00 34.13 31.16 2wb4 s GLU 220 CO 0.76 -0.22 1.62 0.93 0.02 0.00 0.00 175.26 178.37 2wb4 h GLU 221 N 5.49 0.96 0.00 1.61 5.08 -1.83 -2.86 114.58 123.02 2wb4 h GLU 221 Ca -0.44 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 57.59 2wb4 h GLU 221 Cb 1.21 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 2wb4 h GLU 221 CO 0.77 0.97 -0.08 -0.09 -1.00 0.00 0.00 179.01 179.58 2wb4 h ARG 222 N 0.84 0.00 -0.00 2.33 2.43 -1.91 -3.12 114.38 114.95 2wb4 h ARG 222 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2wb4 h ARG 222 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2wb4 h ARG 222 CO 0.03 0.08 -0.04 0.25 -1.51 0.00 0.00 179.97 178.78 2wb4 n THR 223 N -3.77 0.00 0.06 0.20 -2.24 -1.20 -4.80 114.28 102.52 2wb4 n THR 223 Ca -0.02 -0.48 0.18 0.00 -2.27 0.00 0.00 64.05 61.46 2wb4 n THR 223 Cb 0.18 1.07 0.70 0.00 -2.10 0.00 0.00 70.33 70.18 2wb4 n THR 223 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wb4 h ARG 224 N 0.67 0.00 0.00 -0.78 2.43 -1.44 0.11 114.38 115.37 2wb4 h ARG 224 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wb4 h ARG 224 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2wb4 h ARG 224 CO 0.00 0.00 -0.61 1.04 -1.51 0.00 0.00 179.97 178.89 2wb4 n GLN 225 N -4.30 0.23 -1.67 0.20 1.13 -1.26 -4.84 117.38 106.86 2wb4 n GLN 225 Ca 0.07 0.06 -0.48 0.00 -1.94 0.00 0.00 57.00 54.72 2wb4 n GLN 225 Cb 0.52 -1.64 -0.05 0.00 0.11 0.00 0.00 30.24 29.18 2wb4 n GLN 225 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2wb4 n LEU 226 N -1.96 3.15 -4.74 1.08 7.94 0.02 -4.94 117.00 117.55 2wb4 n LEU 226 Ca 0.04 1.04 -0.41 0.00 -1.11 0.00 0.00 56.01 55.56 2wb4 n LEU 226 Cb 0.42 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 2wb4 n LEU 226 CO 0.36 -0.23 1.03 -2.84 -1.11 0.00 0.00 177.39 174.60 2wb4 s PRO 227 N 2.35 4.34 -0.02 1.96 0.02 -1.26 -4.95 135.00 137.44 2wb4 s PRO 227 Ca 0.86 2.17 0.06 0.00 0.02 0.00 0.00 61.00 64.11 2wb4 s PRO 227 Cb -0.71 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 30.64 2wb4 s PRO 227 CO 0.45 -0.31 -0.21 0.08 -0.33 0.00 0.00 177.00 176.68 2wb4 s VAL 228 N -0.09 1.68 -0.19 3.83 1.01 -1.26 -1.41 120.40 123.97 2wb4 s VAL 228 Ca 0.57 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2wb4 s VAL 228 Cb -0.39 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.63 2wb4 s VAL 228 CO 0.42 0.48 -0.12 -0.22 0.00 0.00 0.00 175.10 175.66 2wb4 s LEU 229 N -0.48 2.14 -0.14 3.92 2.96 -0.14 -0.75 118.68 126.19 2wb4 s LEU 229 Ca 0.08 -0.79 -0.07 0.00 -0.22 0.00 0.00 54.13 53.13 2wb4 s LEU 229 Cb -0.08 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 2wb4 s LEU 229 CO -0.01 -0.12 0.12 0.00 -1.32 0.00 0.00 176.35 175.02 2wb4 s ALA 230 N 1.41 3.73 -0.25 5.97 0.00 0.06 -1.26 121.76 131.42 2wb4 s ALA 230 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 2wb4 s ALA 230 Cb -0.15 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 2wb4 s ALA 230 CO -0.09 0.45 0.47 -1.64 0.00 0.00 0.00 175.76 174.95 2wb4 s MET 231 N -0.52 4.08 0.08 0.00 1.00 0.93 0.20 119.30 125.07 2wb4 s MET 231 Ca 0.12 0.25 0.06 0.00 0.00 0.00 0.00 55.69 56.13 2wb4 s MET 231 Cb -0.12 -3.63 -0.03 0.00 0.00 0.00 0.00 34.83 31.05 2wb4 s MET 231 CO 0.02 -0.28 -0.17 0.14 0.00 0.00 0.00 175.02 174.73 2wb4 s VAL 232 N 2.07 1.37 -0.11 -6.03 -7.23 0.12 -1.34 120.40 109.25 2wb4 s VAL 232 Ca 0.20 -1.39 -0.29 0.00 -1.81 0.00 0.00 61.98 58.68 2wb4 s VAL 232 Cb -0.16 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 2wb4 s VAL 232 CO 0.09 -0.14 1.61 -0.62 -0.31 0.00 0.00 175.10 175.73 2wb4 s ASP 233 N -1.78 6.60 0.46 4.85 2.15 -1.26 -1.46 116.67 126.23 2wb4 s ASP 233 Ca 0.02 2.00 0.19 0.00 0.43 0.00 0.00 52.55 55.19 2wb4 s ASP 233 Cb -0.10 -2.53 1.11 0.00 -0.30 0.00 0.00 42.92 41.10 2wb4 s ASP 233 CO 0.03 -1.02 1.98 1.55 -0.17 0.00 0.00 175.17 177.54 2wb4 h PRO 234 N 9.81 0.00 -0.97 4.34 0.13 -1.93 -2.64 132.00 140.74 2wb4 h PRO 234 Ca -0.36 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.57 2wb4 h PRO 234 Cb 1.16 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 2wb4 h PRO 234 CO 0.97 0.20 0.25 -0.25 -0.23 0.00 0.00 178.00 178.94 2wb4 n ASP 235 N -3.97 3.30 -3.42 1.44 8.00 -1.26 -4.59 116.55 116.06 2wb4 n ASP 235 Ca -0.02 -2.67 -0.27 0.00 0.71 0.00 0.00 54.79 52.53 2wb4 n ASP 235 Cb 0.28 -0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 40.63 2wb4 n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wb4 s ASP 236 N -0.07 2.24 0.12 -2.24 -1.08 -1.00 -5.01 116.67 109.63 2wb4 s ASP 236 Ca 0.25 -2.47 -0.13 0.00 -0.52 0.00 0.00 52.55 49.68 2wb4 s ASP 236 Cb 0.21 -0.33 -0.06 0.00 -1.46 0.00 0.00 42.92 41.29 2wb4 s ASP 236 CO 0.05 -0.25 1.46 -0.09 0.52 0.00 0.00 175.17 176.86 2wb4 h ARG 237 N 6.48 0.83 -0.02 4.34 2.43 -1.85 -3.03 114.38 123.56 2wb4 h ARG 237 Ca 0.14 -0.42 0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2wb4 h ARG 237 Cb 0.95 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2wb4 h ARG 237 CO 0.29 1.06 0.02 0.78 -1.51 0.00 0.00 179.97 180.61 2wb4 h GLY 238 N 0.62 0.00 1.69 2.80 0.00 -1.97 -1.28 103.07 104.92 2wb4 h GLY 238 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 2wb4 h GLY 238 CO 0.08 0.00 -0.94 -0.09 0.00 0.00 0.00 176.54 175.59 2wb4 h ARG 239 N 0.00 0.00 0.09 4.80 2.43 -1.94 -2.42 114.38 117.34 2wb4 h ARG 239 Ca 0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2wb4 h ARG 239 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2wb4 h ARG 239 CO -0.00 0.58 -0.04 0.52 -1.51 0.00 0.00 179.97 179.52 2wb4 h MET 240 N 0.00 -0.12 -0.52 0.20 2.86 -1.19 -1.76 114.93 114.41 2wb4 h MET 240 Ca -0.07 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2wb4 h MET 240 Cb 1.58 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.22 2wb4 h MET 240 CO 0.08 0.19 0.23 0.28 1.06 0.00 0.00 176.91 178.75 2wb4 h VAL 241 N -0.43 0.89 -0.98 -2.22 2.07 -1.38 0.84 116.25 115.04 2wb4 h VAL 241 Ca -0.01 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.43 2wb4 h VAL 241 Cb 0.36 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 2wb4 h VAL 241 CO 0.02 0.08 0.63 0.50 0.02 0.00 0.00 177.57 178.82 2wb4 h LYS 242 N 0.44 1.08 0.08 1.57 3.64 -1.43 -1.20 116.57 120.76 2wb4 h LYS 242 Ca 0.24 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2wb4 h LYS 242 Cb 0.20 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2wb4 h LYS 242 CO -0.20 0.72 -0.04 0.00 -2.27 0.00 0.00 179.45 177.66 2wb4 h ALA 243 N 1.46 -0.11 -0.42 5.00 0.00 0.03 -1.31 119.26 123.91 2wb4 h ALA 243 Ca 0.43 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2wb4 h ALA 243 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2wb4 h ALA 243 CO -0.19 -0.50 0.28 -0.07 0.00 0.00 0.00 179.25 178.78 2wb4 h LEU 244 N -0.23 0.44 -0.54 0.00 3.38 -0.72 -2.43 115.31 115.20 2wb4 h LEU 244 Ca -0.01 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2wb4 h LEU 244 Cb 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2wb4 h LEU 244 CO 0.02 0.31 -0.62 -0.33 0.09 0.00 0.00 178.44 177.91 2wb4 h GLU 245 N 0.51 0.39 0.00 1.13 5.08 -0.78 -3.13 114.58 117.79 2wb4 h GLU 245 Ca 0.16 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2wb4 h GLU 245 Cb 0.02 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wb4 h GLU 245 CO -0.04 0.89 0.00 -0.84 -1.00 0.00 0.00 179.01 178.02 2wb4 h ILE 246 N 0.29 0.00 0.00 3.13 3.07 -0.79 -3.47 117.51 119.74 2wb4 h ILE 246 Ca -0.01 -0.81 0.00 0.00 1.55 0.00 0.00 64.86 65.59 2wb4 h ILE 246 Cb 1.15 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 39.51 2wb4 h ILE 246 CO 0.11 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.82 2wb4 n GLY 247 N 0.80 1.48 3.73 0.16 0.00 -1.04 -4.82 105.19 105.49 2wb4 n GLY 247 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2wb4 n GLY 247 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb4 s VAL 248 N -1.48 3.58 0.20 1.61 1.01 -1.00 -4.81 120.40 119.51 2wb4 s VAL 248 Ca 0.00 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2wb4 s VAL 248 Cb 0.00 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 2wb4 s VAL 248 CO 0.00 0.15 1.48 0.78 0.00 0.00 0.00 175.10 177.51 2wb4 h ASN 249 N 5.91 0.40 -4.78 3.32 4.21 -1.30 -3.44 115.58 119.89 2wb4 h ASN 249 Ca -0.43 -0.25 0.02 0.00 1.21 0.00 0.00 56.30 56.84 2wb4 h ASN 249 Cb 1.21 -0.12 -0.16 0.00 -1.12 0.00 0.00 38.32 38.13 2wb4 h ASN 249 CO 0.79 0.96 0.32 -0.62 -1.29 0.00 0.00 177.43 177.59 2wb4 s ASP 250 N -6.94 -0.51 -0.07 5.81 2.15 -1.16 -5.03 116.67 110.91 2wb4 s ASP 250 Ca -0.05 0.25 0.05 0.00 0.43 0.00 0.00 52.55 53.23 2wb4 s ASP 250 Cb 0.11 0.49 -0.00 0.00 -0.30 0.00 0.00 42.92 43.21 2wb4 s ASP 250 CO 0.82 -0.70 -0.23 -0.63 -0.17 0.00 0.00 175.17 174.26 2wb4 s ILE 251 N -2.53 1.96 -0.11 4.11 1.01 -1.26 -0.76 121.20 123.62 2wb4 s ILE 251 Ca -0.02 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.65 2wb4 s ILE 251 Cb -0.01 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2wb4 s ILE 251 CO -0.04 0.54 -0.16 -0.76 0.00 0.00 0.00 174.94 174.52 2wb4 s LEU 252 N 0.08 2.55 0.23 2.97 1.43 0.13 -4.93 118.68 121.14 2wb4 s LEU 252 Ca -0.10 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.36 2wb4 s LEU 252 Cb -0.15 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 2wb4 s LEU 252 CO 0.06 0.18 0.87 -0.44 0.23 0.00 0.00 176.35 177.24 2wb4 s SER 253 N 0.24 7.44 0.23 2.29 0.01 -1.26 0.13 113.70 122.79 2wb4 s SER 253 Ca -0.11 1.78 -0.24 0.00 1.31 0.00 0.00 55.95 58.69 2wb4 s SER 253 Cb -0.16 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 2wb4 s SER 253 CO 0.06 0.12 0.81 -0.13 0.41 0.00 0.00 173.24 174.51 2wb4 s ARG 254 N -1.43 4.49 0.59 12.44 0.52 -0.53 -3.83 118.95 131.19 2wb4 s ARG 254 Ca 0.41 1.13 -0.15 0.00 -0.52 0.00 0.00 55.73 56.60 2wb4 s ARG 254 Cb -0.23 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 2wb4 s ARG 254 CO 0.27 0.44 1.03 -1.25 0.02 0.00 0.00 175.30 175.81 2wb4 s PRO 255 N -1.65 3.47 -0.47 3.54 0.04 -1.26 -4.37 135.00 134.30 2wb4 s PRO 255 Ca 0.42 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 2wb4 s PRO 255 Cb -0.20 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.31 2wb4 s PRO 255 CO 0.24 -0.67 1.09 0.42 0.04 0.00 0.00 177.00 178.12 2wb4 s ILE 256 N -2.63 4.27 -0.04 0.56 -1.09 -1.25 -5.01 121.20 116.00 2wb4 s ILE 256 Ca 0.61 1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 59.85 2wb4 s ILE 256 Cb -0.14 -4.57 -0.05 0.00 -1.58 0.00 0.00 42.46 36.13 2wb4 s ILE 256 CO 0.39 -0.97 1.47 -0.62 -1.23 0.00 0.00 174.94 173.98 2wb4 s ASP 257 N 2.41 6.80 0.21 3.58 -1.08 -1.26 -4.95 116.67 122.38 2wb4 s ASP 257 Ca 0.45 2.09 -0.07 0.00 -0.52 0.00 0.00 52.55 54.51 2wb4 s ASP 257 Cb -0.08 -2.55 0.17 0.00 -1.46 0.00 0.00 42.92 39.00 2wb4 s ASP 257 CO 0.30 -0.80 1.75 -0.65 0.52 0.00 0.00 175.17 176.29 2wb4 h PRO 258 N 8.45 1.12 -0.13 4.34 0.11 -1.98 -1.15 132.00 142.76 2wb4 h PRO 258 Ca -0.36 -0.25 -0.22 0.00 0.11 0.00 0.00 66.00 65.28 2wb4 h PRO 258 Cb 1.17 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.12 2wb4 h PRO 258 CO 0.93 0.96 -0.79 1.96 -0.21 0.00 0.00 178.00 180.86 2wb4 h GLN 259 N 1.07 0.71 -0.91 1.05 4.20 -1.99 -0.13 115.11 119.10 2wb4 h GLN 259 Ca 0.23 -0.59 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2wb4 h GLN 259 Cb 0.32 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 2wb4 h GLN 259 CO -0.00 1.20 0.55 1.49 -0.67 0.00 0.00 178.83 181.39 2wb4 h GLU 260 N 0.48 1.24 -0.25 1.46 4.81 -1.95 -1.22 114.58 119.14 2wb4 h GLU 260 Ca -0.05 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2wb4 h GLU 260 Cb 1.41 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2wb4 h GLU 260 CO 0.16 0.87 0.12 1.25 -0.73 0.00 0.00 179.01 180.68 2wb4 h LEU 261 N 1.26 0.32 0.69 1.64 5.85 -0.53 -0.53 115.31 124.02 2wb4 h LEU 261 Ca 0.33 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2wb4 h LEU 261 Cb -0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2wb4 h LEU 261 CO -0.06 0.35 -0.49 0.28 -0.34 0.00 0.00 178.44 178.18 2wb4 h SER 262 N 0.28 -1.28 -0.52 1.25 0.02 -0.71 -1.77 113.55 110.82 2wb4 h SER 262 Ca 0.09 0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.22 2wb4 h SER 262 Cb 0.11 0.39 -0.09 0.00 0.14 0.00 0.00 62.40 62.95 2wb4 h SER 262 CO -0.01 -0.72 -0.01 0.00 -1.14 0.00 0.00 176.83 174.95 2wb4 h ALA 263 N -1.11 0.48 -0.17 3.77 0.00 -1.06 0.46 119.26 121.63 2wb4 h ALA 263 Ca -0.09 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2wb4 h ALA 263 Cb 0.93 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2wb4 h ALA 263 CO 0.05 -0.39 -0.39 0.00 0.00 0.00 0.00 179.25 178.52 2wb4 h ARG 264 N 0.11 0.38 -0.29 0.00 3.08 -1.05 -2.36 114.38 114.24 2wb4 h ARG 264 Ca 0.26 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 2wb4 h ARG 264 Cb 0.40 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2wb4 h ARG 264 CO -0.44 0.72 -0.43 0.28 -1.07 0.00 0.00 179.97 179.03 2wb4 h VAL 265 N 0.32 1.29 0.27 2.04 2.07 -0.25 -2.42 116.25 119.57 2wb4 h VAL 265 Ca 0.03 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 65.95 2wb4 h VAL 265 Cb 0.83 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2wb4 h VAL 265 CO 0.07 0.52 -0.37 0.50 0.02 0.00 0.00 177.57 178.30 2wb4 h LYS 266 N 0.59 -0.68 -0.52 1.57 3.64 -0.67 -2.33 116.57 118.17 2wb4 h LYS 266 Ca 0.04 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 2wb4 h LYS 266 Cb 0.98 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.87 2wb4 h LYS 266 CO 0.09 -0.45 0.07 1.15 -2.27 0.00 0.00 179.45 178.04 2wb4 h THR 267 N -0.70 0.65 -0.09 1.00 2.02 -1.32 -1.06 112.91 113.42 2wb4 h THR 267 Ca -0.01 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2wb4 h THR 267 Cb 0.67 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2wb4 h THR 267 CO -0.13 0.03 -0.25 1.56 0.37 0.00 0.00 175.52 177.11 2wb4 h GLN 268 N 0.19 0.16 -0.01 6.66 1.08 -1.29 -2.05 115.11 119.84 2wb4 h GLN 268 Ca 0.27 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.24 2wb4 h GLN 268 Cb 0.39 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2wb4 h GLN 268 CO -0.38 0.40 -0.70 0.82 -0.95 0.00 0.00 178.83 178.02 2wb4 h ILE 269 N 0.14 1.38 -0.85 2.54 2.04 -0.71 -1.85 117.51 120.20 2wb4 h ILE 269 Ca 0.02 -2.09 0.07 0.00 1.00 0.00 0.00 64.86 63.87 2wb4 h ILE 269 Cb 0.53 2.50 -0.06 0.00 -0.74 0.00 0.00 36.82 39.05 2wb4 h ILE 269 CO 0.04 0.62 0.55 -0.61 0.00 0.00 0.00 178.15 178.75 2wb4 h GLN 270 N 0.05 0.88 -0.11 2.37 4.15 -1.12 0.87 115.11 122.19 2wb4 h GLN 270 Ca -0.08 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 2wb4 h GLN 270 Cb 1.39 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 2wb4 h GLN 270 CO 0.14 0.58 -0.02 0.00 -1.93 0.00 0.00 178.83 177.61 2wb4 h ARG 271 N 0.91 0.21 -0.61 1.69 2.47 -1.32 0.37 114.38 118.09 2wb4 h ARG 271 Ca 0.38 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2wb4 h ARG 271 Cb 0.28 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 2wb4 h ARG 271 CO -0.14 0.49 0.37 -0.22 0.56 0.00 0.00 179.97 181.03 2wb4 h LYS 272 N -0.09 0.83 -0.85 0.04 3.64 -0.54 -1.61 116.57 117.99 2wb4 h LYS 272 Ca 0.03 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2wb4 h LYS 272 Cb 0.41 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2wb4 h LYS 272 CO 0.01 0.60 0.43 0.00 -2.27 0.00 0.00 179.45 178.22 2wb4 h ARG 273 N 0.83 1.21 -0.98 1.90 3.08 -0.78 -2.20 114.38 117.42 2wb4 h ARG 273 Ca 0.22 -0.16 0.06 0.00 0.07 0.00 0.00 59.98 60.17 2wb4 h ARG 273 Cb -0.02 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 29.74 2wb4 h ARG 273 CO -0.04 0.91 0.64 -0.92 -1.07 0.00 0.00 179.97 179.48 2wb4 h TYR 274 N 1.20 1.18 -0.16 3.04 3.20 0.02 -0.03 116.97 125.41 2wb4 h TYR 274 Ca 0.30 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 2wb4 h TYR 274 Cb 0.08 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 2wb4 h TYR 274 CO 0.01 0.62 -0.14 1.15 -1.64 0.00 0.00 178.16 178.17 2wb4 h THR 275 N 1.17 1.33 -0.58 1.81 2.02 -1.05 -2.66 112.91 114.95 2wb4 h THR 275 Ca 0.42 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 2wb4 h THR 275 Cb 0.14 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 2wb4 h THR 275 CO -0.16 0.38 0.29 0.44 0.37 0.00 0.00 175.52 176.84 2wb4 h ASP 276 N 0.03 0.71 -0.60 4.18 3.32 -0.88 -1.05 116.42 122.13 2wb4 h ASP 276 Ca 0.03 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2wb4 h ASP 276 Cb 0.66 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2wb4 h ASP 276 CO 0.04 0.59 0.28 0.22 -1.72 0.00 0.00 179.24 178.65 2wb4 h TYR 277 N 0.80 0.90 -0.11 4.55 3.20 -0.85 -0.64 116.97 124.83 2wb4 h TYR 277 Ca 0.20 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 2wb4 h TYR 277 Cb 0.05 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.05 2wb4 h TYR 277 CO 0.01 0.68 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.77 2wb4 h LEU 278 N 0.90 0.50 -0.62 2.82 3.38 -0.95 -1.80 115.31 119.54 2wb4 h LEU 278 Ca 0.22 -0.61 0.06 0.00 0.09 0.00 0.00 57.88 57.63 2wb4 h LEU 278 Cb 0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 2wb4 h LEU 278 CO -0.03 1.03 0.33 0.03 0.09 0.00 0.00 178.44 179.89 2wb4 h ARG 279 N 0.01 0.59 0.00 1.13 3.08 -0.88 -1.94 114.38 116.37 2wb4 h ARG 279 Ca -0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 2wb4 h ARG 279 Cb 0.99 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2wb4 h ARG 279 CO 0.08 0.39 -0.27 -0.91 -1.07 0.00 0.00 179.97 178.19 2wb4 h ASN 280 N 0.61 0.00 0.07 7.04 4.21 -1.10 -1.40 115.58 125.00 2wb4 h ASN 280 Ca 0.28 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.79 2wb4 h ASN 280 Cb 0.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 2wb4 h ASN 280 CO -0.19 0.27 -0.03 0.78 -1.29 0.00 0.00 177.43 176.97 2wb4 h ASN 281 N 0.00 -0.08 0.49 5.81 2.35 -0.94 -0.42 115.58 122.80 2wb4 h ASN 281 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2wb4 h ASN 281 Cb 0.94 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2wb4 h ASN 281 CO 0.03 0.31 0.00 -0.07 -1.65 0.00 0.00 177.43 176.06 2wb4 h LEU 282 N -0.49 0.00 0.00 1.61 3.38 -1.11 -1.71 115.31 117.00 2wb4 h LEU 282 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 2wb4 h LEU 282 Cb 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2wb4 h LEU 282 CO 0.02 0.00 -1.43 0.47 0.09 0.00 0.00 178.44 177.59 2wb4 n ASP 283 N -2.93 1.87 0.23 -0.43 8.00 -0.55 -4.15 116.55 118.59 2wb4 n ASP 283 Ca -0.01 0.42 0.06 0.00 0.71 0.00 0.00 54.79 55.97 2wb4 n ASP 283 Cb 0.18 -0.93 0.53 0.00 -0.02 0.00 0.00 41.12 40.88 2wb4 n ASP 283 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2wb4 h HIS 284 N -1.00 0.01 0.00 1.24 3.86 -0.97 -1.59 115.15 116.70 2wb4 h HIS 284 Ca -0.38 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.79 2wb4 h HIS 284 Cb 1.29 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.75 2wb4 h HIS 284 CO 0.03 0.14 -0.20 0.77 0.86 0.00 0.00 177.93 179.54 2wb4 h SER 285 N 0.01 0.00 0.67 2.45 0.02 -1.50 -2.59 113.55 112.61 2wb4 h SER 285 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wb4 h SER 285 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2wb4 h SER 285 CO 0.02 0.20 0.00 0.18 -1.14 0.00 0.00 176.83 176.08 2wb4 n LEU 286 N -3.55 0.00 -4.81 5.07 4.77 -0.60 -4.85 117.00 113.02 2wb4 n LEU 286 Ca -0.01 0.39 -0.31 0.00 -0.03 0.00 0.00 56.01 56.05 2wb4 n LEU 286 Cb 0.34 -0.39 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2wb4 n LEU 286 CO 0.32 -0.05 0.71 -1.61 -1.33 0.00 0.00 177.39 175.43 2wb4 s GLU 287 N -2.78 2.71 -0.38 3.23 2.02 -0.98 -5.00 118.70 117.53 2wb4 s GLU 287 Ca 0.19 0.90 0.01 0.00 0.02 0.00 0.00 54.97 56.08 2wb4 s GLU 287 Cb 0.17 -1.97 0.13 0.00 0.10 0.00 0.00 34.13 32.57 2wb4 s GLU 287 CO 0.43 -1.24 0.21 -1.17 0.02 0.00 0.00 175.26 173.51 2wb4 s LEU 288 N -5.62 1.73 -0.05 1.80 2.96 -1.26 -4.96 118.68 113.29 2wb4 s LEU 288 Ca 0.59 -2.31 -0.04 0.00 -0.22 0.00 0.00 54.13 52.15 2wb4 s LEU 288 Cb -0.14 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 2wb4 s LEU 288 CO 0.55 -0.30 0.21 0.00 -1.32 0.00 0.00 176.35 175.49 2wb4 h ALA 289 N 7.00 -0.19 -0.01 5.97 0.00 -1.98 -3.43 119.26 126.62 2wb4 h ALA 289 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wb4 h ALA 289 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2wb4 h ALA 289 CO 0.37 -0.18 -0.41 0.28 0.00 0.00 0.00 179.25 179.30 2wb4 n VAL 290 N -3.80 0.00 -4.24 0.00 0.31 -1.26 -4.97 118.33 104.37 2wb4 n VAL 290 Ca -0.02 -0.29 -0.25 0.00 -0.01 0.00 0.00 64.34 63.77 2wb4 n VAL 290 Cb 0.05 1.13 -0.08 0.00 -0.91 0.00 0.00 33.84 34.03 2wb4 n VAL 290 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2wb4 s THR 291 N -1.96 2.49 -0.03 2.52 -4.23 -1.26 -1.36 115.64 111.81 2wb4 s THR 291 Ca 0.11 -1.82 -0.14 0.00 -1.18 0.00 0.00 61.69 58.66 2wb4 s THR 291 Cb 0.12 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 2wb4 s THR 291 CO 0.44 -0.10 0.36 -0.62 -0.54 0.00 0.00 174.62 174.17 2wb4 s ASP 292 N -3.81 6.73 -0.05 3.99 2.15 0.14 -4.56 116.67 121.26 2wb4 s ASP 292 Ca 0.38 0.87 -0.25 0.00 0.43 0.00 0.00 52.55 53.97 2wb4 s ASP 292 Cb 0.02 -2.22 -0.22 0.00 -0.30 0.00 0.00 42.92 40.20 2wb4 s ASP 292 CO 0.21 0.32 1.08 -0.61 -0.17 0.00 0.00 175.17 176.00 2wb4 h GLN 293 N 4.88 0.12 0.47 4.34 4.15 -1.95 -1.32 115.11 125.79 2wb4 h GLN 293 Ca -0.51 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 58.78 2wb4 h GLN 293 Cb 1.22 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2wb4 h GLN 293 CO 0.62 0.80 -0.22 1.25 -1.93 0.00 0.00 178.83 179.35 2wb4 h LEU 294 N -0.53 -0.53 0.00 -2.39 5.85 -1.97 -3.34 115.31 112.40 2wb4 h LEU 294 Ca -0.01 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 2wb4 h LEU 294 Cb 0.84 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 2wb4 h LEU 294 CO 0.03 -0.36 -1.58 0.35 -0.34 0.00 0.00 178.44 176.54 2wb4 n THR 295 N -5.35 1.03 -0.16 1.05 -2.24 -1.25 -4.91 114.28 102.44 2wb4 n THR 295 Ca -0.12 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2wb4 n THR 295 Cb 0.27 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 2wb4 n THR 295 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wb4 n GLY 296 N 1.41 1.94 3.74 3.38 0.00 -0.50 -4.90 105.19 110.26 2wb4 n GLY 296 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2wb4 n GLY 296 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wb4 s LEU 297 N 0.00 2.35 0.60 0.99 1.43 -1.26 -4.57 118.68 118.22 2wb4 s LEU 297 Ca 0.00 1.46 -0.19 0.00 -1.03 0.00 0.00 54.13 54.38 2wb4 s LEU 297 Cb 0.00 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 2wb4 s LEU 297 CO 0.00 -2.49 1.22 -1.00 0.23 0.00 0.00 176.35 174.31 2wb4 s HIS 298 N -2.97 2.35 0.76 0.29 3.76 -1.25 0.26 115.29 118.49 2wb4 s HIS 298 Ca 0.63 1.51 -0.07 0.00 -0.15 0.00 0.00 55.06 56.98 2wb4 s HIS 298 Cb -0.17 -3.50 0.11 0.00 1.11 0.00 0.00 32.58 30.12 2wb4 s HIS 298 CO 0.56 -2.30 1.08 0.54 -0.85 0.00 0.00 174.74 173.77 2wb4 s ASN 299 N -1.59 4.33 0.21 1.40 2.20 -0.47 -2.11 114.94 118.93 2wb4 s ASN 299 Ca 0.78 0.22 -0.09 0.00 -0.94 0.00 0.00 52.86 52.84 2wb4 s ASN 299 Cb -0.31 -0.68 0.17 0.00 -2.00 0.00 0.00 41.25 38.43 2wb4 s ASN 299 CO 0.34 -1.91 1.83 -0.09 -2.94 0.00 0.00 177.10 174.33 2wb4 h ARG 300 N -0.81 1.13 -0.04 3.55 2.43 -1.82 -2.28 114.38 116.54 2wb4 h ARG 300 Ca -0.43 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 58.63 2wb4 h ARG 300 Cb 1.29 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 2wb4 h ARG 300 CO 0.51 0.84 -0.12 -0.09 -1.51 0.00 0.00 179.97 179.60 2wb4 h ARG 301 N 1.12 -0.17 -0.46 0.20 2.43 -1.94 -1.63 114.38 113.93 2wb4 h ARG 301 Ca 0.28 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2wb4 h ARG 301 Cb 0.05 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2wb4 h ARG 301 CO -0.04 -0.11 0.25 -0.92 -1.51 0.00 0.00 179.97 177.63 2wb4 h TYR 302 N -0.18 0.64 -0.64 2.20 3.20 -1.79 -2.70 116.97 117.70 2wb4 h TYR 302 Ca 0.06 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.96 2wb4 h TYR 302 Cb 0.26 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 2wb4 h TYR 302 CO -0.20 0.49 0.37 1.98 -1.64 0.00 0.00 178.16 179.16 2wb4 h MET 303 N 0.61 0.68 -0.38 1.82 4.05 -1.23 -2.35 114.93 118.13 2wb4 h MET 303 Ca 0.16 -0.04 -0.14 0.00 -0.28 0.00 0.00 59.70 59.40 2wb4 h MET 303 Cb 0.06 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 2wb4 h MET 303 CO -0.03 0.45 -0.32 1.79 0.23 0.00 0.00 176.91 179.04 2wb4 h THR 304 N 0.70 1.28 -0.86 -0.77 1.35 -1.05 0.27 112.91 113.82 2wb4 h THR 304 Ca 0.28 -1.48 0.12 0.00 -0.55 0.00 0.00 66.41 64.79 2wb4 h THR 304 Cb 0.13 1.32 -0.08 0.00 -1.73 0.00 0.00 68.15 67.78 2wb4 h THR 304 CO -0.16 0.49 0.48 1.23 -0.25 0.00 0.00 175.52 177.32 2wb4 h GLY 305 N 0.90 1.39 1.14 5.82 0.00 -1.28 0.05 103.07 111.08 2wb4 h GLY 305 Ca 0.08 -0.30 -0.28 0.00 0.00 0.00 0.00 47.33 46.82 2wb4 h GLY 305 CO 0.08 0.05 -1.16 1.46 0.00 0.00 0.00 176.54 176.96 2wb4 h GLN 306 N 0.74 0.58 0.00 4.80 1.08 -0.86 -3.17 115.11 118.27 2wb4 h GLN 306 Ca 0.44 -0.78 -0.00 0.00 -1.45 0.00 0.00 58.65 56.86 2wb4 h GLN 306 Cb 0.53 0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2wb4 h GLN 306 CO -0.30 1.35 -0.02 1.25 -0.95 0.00 0.00 178.83 180.15 2wb4 h LEU 307 N 0.17 0.00 -0.08 1.46 5.85 -0.23 -1.80 115.31 120.69 2wb4 h LEU 307 Ca -0.18 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2wb4 h LEU 307 Cb 1.86 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.89 2wb4 h LEU 307 CO 0.22 0.02 -0.12 0.44 -0.34 0.00 0.00 178.44 178.67 2wb4 h ASP 308 N 0.00 0.25 -0.21 1.25 3.32 -0.97 -2.62 116.42 117.44 2wb4 h ASP 308 Ca -0.00 -0.52 -0.10 0.00 0.02 0.00 0.00 57.03 56.43 2wb4 h ASP 308 Cb 0.05 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2wb4 h ASP 308 CO 0.00 0.72 -0.20 0.28 -1.72 0.00 0.00 179.24 178.32 2wb4 h SER 309 N -0.22 0.65 -0.08 6.45 0.02 -1.48 -1.66 113.55 117.24 2wb4 h SER 309 Ca 0.01 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2wb4 h SER 309 Cb 0.66 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 2wb4 h SER 309 CO 0.03 0.85 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.49 2wb4 h LEU 310 N 0.58 0.15 -0.74 5.07 3.38 -1.40 -2.45 115.31 119.89 2wb4 h LEU 310 Ca 0.09 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 2wb4 h LEU 310 Cb 0.66 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2wb4 h LEU 310 CO 0.05 0.47 -0.11 0.58 0.09 0.00 0.00 178.44 179.52 2wb4 h VAL 311 N -0.18 1.26 0.17 1.22 2.07 -1.42 -1.89 116.25 117.48 2wb4 h VAL 311 Ca 0.02 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2wb4 h VAL 311 Cb 0.41 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2wb4 h VAL 311 CO 0.01 0.41 -0.15 0.50 0.02 0.00 0.00 177.57 178.36 2wb4 h LYS 312 N 0.77 -0.33 -0.45 1.57 3.64 -1.29 -1.54 116.57 118.94 2wb4 h LYS 312 Ca 0.13 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 2wb4 h LYS 312 Cb 0.61 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2wb4 h LYS 312 CO 0.04 -0.22 0.30 -0.09 -2.27 0.00 0.00 179.45 177.22 2wb4 h ARG 313 N -0.34 0.40 -0.17 1.90 2.43 -1.20 -1.41 114.38 115.99 2wb4 h ARG 313 Ca -0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2wb4 h ARG 313 Cb 0.32 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2wb4 h ARG 313 CO -0.03 0.27 0.07 0.00 -1.51 0.00 0.00 179.97 178.76 2wb4 h ALA 314 N 1.75 0.22 0.00 2.80 0.00 -0.78 -3.19 119.26 120.07 2wb4 h ALA 314 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2wb4 h ALA 314 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wb4 h ALA 314 CO -0.05 -0.18 -0.32 1.79 0.00 0.00 0.00 179.25 180.49 2wb4 h THR 315 N 0.12 1.01 -0.22 0.00 1.35 -0.28 -1.39 112.91 113.50 2wb4 h THR 315 Ca 0.06 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 2wb4 h THR 315 Cb 0.17 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2wb4 h THR 315 CO -0.00 0.31 0.00 0.18 -0.25 0.00 0.00 175.52 175.76 2wb4 n LEU 316 N -3.84 2.61 -0.40 3.87 4.77 -0.94 -4.37 117.00 118.70 2wb4 n LEU 316 Ca -0.01 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 2wb4 n LEU 316 Cb 0.40 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2wb4 n LEU 316 CO 0.36 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2wb4 n GLY 317 N 0.30 -2.52 0.00 -0.72 0.00 -0.52 -5.06 105.19 96.66 2wb4 n GLY 317 Ca 0.10 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2wb4 n GLY 317 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb4 n GLY 318 N 0.68 1.02 3.69 -0.02 0.00 -1.25 -4.80 105.19 104.50 2wb4 n GLY 318 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2wb4 n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wb4 n ASP 319 N 2.93 4.09 -4.75 1.61 8.00 -1.26 -4.64 116.55 122.53 2wb4 n ASP 319 Ca 0.00 0.99 -0.32 0.00 0.71 0.00 0.00 54.79 56.17 2wb4 n ASP 319 Cb 0.00 -1.56 0.08 0.00 -0.02 0.00 0.00 41.12 39.62 2wb4 n ASP 319 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2wb4 s PRO 320 N 2.58 2.37 0.00 -0.24 0.04 -1.26 -4.17 135.00 134.32 2wb4 s PRO 320 Ca 0.81 1.38 0.05 0.00 0.04 0.00 0.00 61.00 63.28 2wb4 s PRO 320 Cb -0.47 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 2wb4 s PRO 320 CO 0.36 -1.58 -0.17 0.08 0.04 0.00 0.00 177.00 175.73 2wb4 s VAL 321 N -2.51 1.32 0.23 -0.36 1.01 -1.25 -0.79 120.40 118.04 2wb4 s VAL 321 Ca 0.66 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2wb4 s VAL 321 Cb -0.21 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2wb4 s VAL 321 CO 0.48 0.30 -0.12 -0.44 0.00 0.00 0.00 175.10 175.33 2wb4 s SER 322 N -0.58 4.05 -0.03 3.32 0.01 -0.66 -1.65 113.70 118.16 2wb4 s SER 322 Ca 0.06 -0.76 0.02 0.00 1.31 0.00 0.00 55.95 56.58 2wb4 s SER 322 Cb -0.07 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.59 2wb4 s SER 322 CO -0.00 0.06 -0.07 0.00 0.41 0.00 0.00 173.24 173.63 2wb4 s ALA 323 N -2.09 0.80 -0.14 1.44 0.00 -0.58 -0.45 121.76 120.74 2wb4 s ALA 323 Ca 0.28 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 2wb4 s ALA 323 Cb -0.07 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2wb4 s ALA 323 CO 0.16 0.08 0.10 -0.51 0.00 0.00 0.00 175.76 175.59 2wb4 s LEU 324 N 0.47 4.09 -0.20 0.00 1.02 0.38 -1.66 118.68 122.78 2wb4 s LEU 324 Ca -0.07 0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.38 2wb4 s LEU 324 Cb -0.11 -2.00 0.03 0.00 0.02 0.00 0.00 46.19 44.13 2wb4 s LEU 324 CO 0.01 0.32 -0.15 -0.22 0.02 0.00 0.00 176.35 176.32 2wb4 s LEU 325 N -0.49 2.37 -0.13 1.79 2.96 0.09 -1.27 118.68 123.99 2wb4 s LEU 325 Ca 0.11 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 2wb4 s LEU 325 Cb -0.12 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 2wb4 s LEU 325 CO 0.02 -0.08 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.20 2wb4 s ILE 326 N 1.30 2.90 -0.11 6.68 1.01 0.28 -0.51 121.20 132.75 2wb4 s ILE 326 Ca 0.01 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2wb4 s ILE 326 Cb -0.15 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.13 2wb4 s ILE 326 CO -0.10 0.53 -0.12 -0.62 0.00 0.00 0.00 174.94 174.63 2wb4 s ASP 327 N 0.41 2.30 0.11 3.58 -1.08 -0.42 -1.04 116.67 120.53 2wb4 s ASP 327 Ca -0.11 -0.38 -0.30 0.00 -0.52 0.00 0.00 52.55 51.24 2wb4 s ASP 327 Cb -0.16 -0.98 -0.07 0.00 -1.46 0.00 0.00 42.92 40.25 2wb4 s ASP 327 CO 0.05 -0.04 1.22 -0.63 0.52 0.00 0.00 175.17 176.29 2wb4 s ILE 328 N 1.29 3.79 0.19 4.11 1.01 -1.08 -1.29 121.20 129.21 2wb4 s ILE 328 Ca -0.01 1.35 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 2wb4 s ILE 328 Cb -0.14 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 2wb4 s ILE 328 CO -0.05 0.14 1.01 -1.81 0.00 0.00 0.00 174.94 174.23 2wb4 s ASP 329 N 0.75 7.45 -1.44 3.58 1.01 -0.44 -3.84 116.67 123.74 2wb4 s ASP 329 Ca 0.57 1.98 -0.05 0.00 0.71 0.00 0.00 52.55 55.76 2wb4 s ASP 329 Cb -0.31 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.03 2wb4 s ASP 329 CO 0.32 -0.05 0.41 0.49 0.21 0.00 0.00 175.17 176.55 2wb4 n PHE 330 N 2.11 -1.72 0.33 4.23 3.72 -1.26 -4.71 117.46 120.15 2wb4 n PHE 330 Ca 0.01 0.36 0.14 0.00 -0.05 0.00 0.00 57.45 57.91 2wb4 n PHE 330 Cb 0.47 -3.77 0.62 0.00 -0.94 0.00 0.00 39.48 35.86 2wb4 n PHE 330 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2wb4 h PHE 331 N -0.89 0.00 0.03 1.38 3.57 -1.97 -2.59 116.94 116.47 2wb4 h PHE 331 Ca -0.47 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 2wb4 h PHE 331 Cb 1.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2wb4 h PHE 331 CO 0.60 0.00 -0.02 0.87 -2.23 0.00 0.00 178.31 177.53 2wb4 h LYS 332 N 0.00 -0.05 -1.12 1.11 1.57 -1.92 -2.86 116.57 113.30 2wb4 h LYS 332 Ca 0.00 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.10 2wb4 h LYS 332 Cb 0.32 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.54 2wb4 h LYS 332 CO 0.00 0.63 0.73 0.87 -0.57 0.00 0.00 179.45 181.11 2wb4 h LYS 333 N -0.85 0.27 0.80 3.15 1.57 -1.86 1.27 116.57 120.93 2wb4 h LYS 333 Ca -0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2wb4 h LYS 333 Cb 0.70 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.96 2wb4 h LYS 333 CO 0.01 0.18 -0.39 0.82 -0.57 0.00 0.00 179.45 179.50 2wb4 h ILE 334 N 0.28 0.06 -0.71 1.86 2.04 -1.58 0.83 117.51 120.27 2wb4 h ILE 334 Ca 0.65 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 66.43 2wb4 h ILE 334 Cb 1.85 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 2wb4 h ILE 334 CO -0.30 0.01 0.47 0.78 0.00 0.00 0.00 178.15 179.10 2wb4 h ASN 335 N -1.25 0.53 -0.09 1.72 2.35 -0.02 0.79 115.58 119.61 2wb4 h ASN 335 Ca -0.11 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.52 2wb4 h ASN 335 Cb 0.84 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.12 2wb4 h ASN 335 CO 0.18 0.32 -0.47 0.44 -1.65 0.00 0.00 177.43 176.25 2wb4 h ASP 336 N 0.59 0.56 0.11 5.81 3.32 0.14 -1.58 116.42 125.37 2wb4 h ASP 336 Ca 0.33 -0.65 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 2wb4 h ASP 336 Cb 0.50 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2wb4 h ASP 336 CO -0.11 1.12 -0.05 0.74 -1.72 0.00 0.00 179.24 179.22 2wb4 h THR 337 N 0.03 0.90 -0.01 0.35 2.02 -0.33 -3.38 112.91 112.50 2wb4 h THR 337 Ca -0.03 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.81 2wb4 h THR 337 Cb 1.12 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2wb4 h THR 337 CO 0.10 0.26 -0.60 0.49 0.37 0.00 0.00 175.52 176.13 2wb4 n PHE 338 N -4.84 0.00 0.00 3.16 3.72 0.22 -5.08 117.46 114.64 2wb4 n PHE 338 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2wb4 n PHE 338 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 2wb4 n PHE 338 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wb4 n GLY 339 N 1.44 0.73 0.15 1.37 0.00 -0.59 -4.49 105.19 103.79 2wb4 n GLY 339 Ca 0.08 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.48 2wb4 n GLY 339 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wb4 h HIS 340 N 0.00 0.00 -0.34 1.61 3.86 -1.89 -2.82 115.15 115.56 2wb4 h HIS 340 Ca 0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 2wb4 h HIS 340 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2wb4 h HIS 340 CO 0.00 0.00 -0.43 -0.44 0.86 0.00 0.00 177.93 177.92 2wb4 h ASP 341 N 0.00 0.93 0.57 2.45 3.32 -1.93 -0.87 116.42 120.88 2wb4 h ASP 341 Ca 0.00 -0.44 -0.27 0.00 0.02 0.00 0.00 57.03 56.34 2wb4 h ASP 341 Cb 0.41 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.70 2wb4 h ASP 341 CO 0.00 1.22 -1.21 0.40 -1.72 0.00 0.00 179.24 177.94 2wb4 h ILE 342 N 0.69 1.48 -0.80 0.35 2.04 -1.75 -3.04 117.51 116.47 2wb4 h ILE 342 Ca 0.05 -2.95 0.13 0.00 1.00 0.00 0.00 64.86 63.09 2wb4 h ILE 342 Cb 1.01 2.87 -0.09 0.00 -0.74 0.00 0.00 36.82 39.87 2wb4 h ILE 342 CO 0.10 0.86 0.40 1.23 0.00 0.00 0.00 178.15 180.75 2wb4 h GLY 343 N 1.47 1.27 1.55 5.37 0.00 -1.46 0.55 103.07 111.82 2wb4 h GLY 343 Ca -0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2wb4 h GLY 343 CO 0.20 -0.01 0.14 -0.55 0.00 0.00 0.00 176.54 176.33 2wb4 h ASP 344 N 0.61 0.53 0.20 0.19 3.32 -1.10 -2.67 116.42 117.50 2wb4 h ASP 344 Ca 0.42 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 57.23 2wb4 h ASP 344 Cb 0.56 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 2wb4 h ASP 344 CO -0.34 0.50 -0.73 -0.33 -1.72 0.00 0.00 179.24 176.62 2wb4 h GLU 345 N 0.58 0.46 -0.54 3.56 4.39 -1.15 -2.19 114.58 119.68 2wb4 h GLU 345 Ca 0.14 -0.37 0.05 0.00 0.34 0.00 0.00 59.36 59.51 2wb4 h GLU 345 Cb 0.15 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 2wb4 h GLU 345 CO -0.01 1.01 0.28 0.28 -1.16 0.00 0.00 179.01 179.41 2wb4 h VAL 346 N 0.31 0.96 -0.01 3.13 2.07 -0.79 -1.34 116.25 120.59 2wb4 h VAL 346 Ca -0.03 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 2wb4 h VAL 346 Cb 1.31 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2wb4 h VAL 346 CO 0.13 0.10 -0.48 -0.07 0.02 0.00 0.00 177.57 177.26 2wb4 h LEU 347 N 0.54 0.03 0.02 2.57 3.38 -1.35 -1.70 115.31 118.80 2wb4 h LEU 347 Ca 0.24 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.92 2wb4 h LEU 347 Cb 0.14 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.90 2wb4 h LEU 347 CO -0.16 0.51 -1.13 -0.09 0.09 0.00 0.00 178.44 177.66 2wb4 h ARG 348 N 0.02 0.55 -0.01 1.13 2.43 -1.13 -1.59 114.38 115.78 2wb4 h ARG 348 Ca -0.00 -0.68 -0.01 0.00 -0.81 0.00 0.00 59.98 58.48 2wb4 h ARG 348 Cb 0.87 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2wb4 h ARG 348 CO 0.06 1.29 -0.02 1.49 -1.51 0.00 0.00 179.97 181.28 2wb4 h GLU 349 N 0.27 0.03 -0.77 0.20 4.81 -1.21 -3.13 114.58 114.78 2wb4 h GLU 349 Ca -0.14 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.20 2wb4 h GLU 349 Cb 1.80 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.09 2wb4 h GLU 349 CO 0.21 0.58 0.34 0.35 -0.73 0.00 0.00 179.01 179.76 2wb4 h PHE 350 N -0.52 0.59 -0.83 0.92 3.04 -1.33 0.22 116.94 119.03 2wb4 h PHE 350 Ca 0.00 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.10 2wb4 h PHE 350 Cb 0.58 -0.15 -0.06 0.00 2.56 0.00 0.00 35.95 38.88 2wb4 h PHE 350 CO 0.12 0.11 0.54 0.00 -2.02 0.00 0.00 178.31 177.07 2wb4 h ALA 351 N 1.53 1.81 0.06 2.41 0.00 -1.32 -0.81 119.26 122.95 2wb4 h ALA 351 Ca 0.42 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.09 2wb4 h ALA 351 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wb4 h ALA 351 CO -0.37 -0.01 -1.10 -0.07 0.00 0.00 0.00 179.25 177.70 2wb4 h LEU 352 N 0.70 0.21 -1.21 0.00 4.07 -0.95 -2.25 115.31 115.88 2wb4 h LEU 352 Ca 0.40 -0.22 -0.08 0.00 0.08 0.00 0.00 57.88 58.07 2wb4 h LEU 352 Cb 0.58 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 2wb4 h LEU 352 CO -0.17 1.16 -0.30 0.03 -1.08 0.00 0.00 178.44 178.09 2wb4 h ARG 353 N 0.04 0.16 0.34 1.13 3.08 -0.55 -2.79 114.38 115.79 2wb4 h ARG 353 Ca -0.07 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 2wb4 h ARG 353 Cb 1.84 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.88 2wb4 h ARG 353 CO 0.16 0.45 -0.16 1.25 -1.07 0.00 0.00 179.97 180.60 2wb4 h LEU 354 N 0.15 -0.39 -1.36 3.04 5.85 -1.15 -3.17 115.31 118.28 2wb4 h LEU 354 Ca 0.02 -0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.83 2wb4 h LEU 354 Cb 0.60 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 2wb4 h LEU 354 CO 0.04 0.07 0.59 0.00 -0.34 0.00 0.00 178.44 178.81 2wb4 h ALA 355 N -0.88 2.00 -0.00 1.25 0.00 -1.44 -1.97 119.26 118.21 2wb4 h ALA 355 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wb4 h ALA 355 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wb4 h ALA 355 CO 0.08 -0.28 -0.34 -1.13 0.00 0.00 0.00 179.25 177.58 2wb4 n SER 356 N -4.56 0.47 -1.60 0.00 3.41 -1.05 -3.98 113.62 106.30 2wb4 n SER 356 Ca 0.19 -0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.49 2wb4 n SER 356 Cb 0.60 0.06 0.22 0.00 -0.26 0.00 0.00 64.21 64.83 2wb4 n SER 356 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wb4 n ASN 357 N -1.34 3.44 -3.70 4.04 3.02 -0.74 -4.96 115.26 115.02 2wb4 n ASN 357 Ca 0.08 -3.54 -0.14 0.00 -0.03 0.00 0.00 54.58 50.94 2wb4 n ASN 357 Cb 0.33 -0.71 -0.08 0.00 -0.61 0.00 0.00 39.78 38.71 2wb4 n ASN 357 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wb4 s VAL 358 N -3.17 0.03 0.79 2.41 1.01 -1.25 -4.91 120.40 115.31 2wb4 s VAL 358 Ca 0.50 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 2wb4 s VAL 358 Cb 0.43 -0.69 0.07 0.00 0.00 0.00 0.00 36.38 36.19 2wb4 s VAL 358 CO 0.07 -0.13 1.09 -0.13 0.00 0.00 0.00 175.10 175.99 2wb4 s ARG 359 N -0.81 2.12 0.30 2.72 0.52 -1.26 -4.93 118.95 117.62 2wb4 s ARG 359 Ca -0.09 1.00 0.11 0.00 -0.52 0.00 0.00 55.73 56.23 2wb4 s ARG 359 Cb -0.04 -1.89 0.46 0.00 0.52 0.00 0.00 34.95 34.00 2wb4 s ARG 359 CO 0.04 -1.69 1.68 0.00 0.02 0.00 0.00 175.30 175.35 2wb4 h ALA 360 N -1.16 1.10 0.00 2.13 0.00 -2.01 -2.21 119.26 117.12 2wb4 h ALA 360 Ca -0.45 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2wb4 h ALA 360 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2wb4 h ALA 360 CO 0.54 0.68 0.00 0.97 0.00 0.00 0.00 179.25 181.44 2wb4 h ILE 361 N 0.00 0.00 -4.11 0.00 6.09 -1.98 -3.43 117.51 114.08 2wb4 h ILE 361 Ca -0.01 -0.40 -0.48 0.00 -1.37 0.00 0.00 64.86 62.61 2wb4 h ILE 361 Cb 0.97 1.30 0.14 0.00 0.47 0.00 0.00 36.82 39.69 2wb4 h ILE 361 CO 0.07 0.00 0.27 -1.81 -3.07 0.00 0.00 178.15 173.61 2wb4 s ASP 362 N -5.16 3.57 -0.42 2.19 1.01 -0.83 -4.64 116.67 112.39 2wb4 s ASP 362 Ca 0.02 1.33 0.02 0.00 0.71 0.00 0.00 52.55 54.63 2wb4 s ASP 362 Cb 0.09 -2.01 0.14 0.00 1.01 0.00 0.00 42.92 42.15 2wb4 s ASP 362 CO 0.48 -2.55 0.25 -0.22 0.21 0.00 0.00 175.17 173.34 2wb4 s LEU 363 N -6.13 2.10 0.14 1.23 2.96 -0.16 -4.97 118.68 113.85 2wb4 s LEU 363 Ca 0.63 -2.56 -0.26 0.00 -0.22 0.00 0.00 54.13 51.72 2wb4 s LEU 363 Cb -0.17 -0.80 -0.07 0.00 0.50 0.00 0.00 46.19 45.65 2wb4 s LEU 363 CO 0.56 -0.27 0.80 -2.16 -1.32 0.00 0.00 176.35 173.96 2wb4 s PRO 364 N 0.50 4.58 0.12 0.98 0.04 -1.26 -1.67 135.00 138.29 2wb4 s PRO 364 Ca 0.19 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 2wb4 s PRO 364 Cb -0.21 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.05 2wb4 s PRO 364 CO -0.02 0.49 0.27 0.00 0.04 0.00 0.00 177.00 177.78 2wb4 s ARG 366 N -3.87 4.00 -0.23 0.00 6.06 -0.90 -0.99 118.95 123.03 2wb4 s ARG 366 Ca 0.07 0.87 -0.16 0.00 -2.50 0.00 0.00 55.73 54.00 2wb4 s ARG 366 Cb 0.04 -3.75 -0.12 0.00 0.06 0.00 0.00 34.95 31.18 2wb4 s ARG 366 CO -0.09 -0.85 -0.16 0.98 -2.50 0.00 0.00 175.30 172.68 2wb4 n TYR 367 N 6.68 0.41 -3.99 5.12 9.36 -0.52 -2.89 117.16 131.34 2wb4 n TYR 367 Ca 0.09 0.18 -0.07 0.00 3.32 0.00 0.00 57.90 61.42 2wb4 n TYR 367 Cb 0.47 -0.94 -0.02 0.00 -0.63 0.00 0.00 39.34 38.22 2wb4 n TYR 367 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wb4 n GLY 368 N 1.37 3.30 0.28 2.98 0.00 -0.76 -4.74 105.19 107.62 2wb4 n GLY 368 Ca -0.37 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 43.92 2wb4 n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb4 n GLY 369 N -0.24 -2.47 0.42 -0.02 0.00 -1.26 -2.31 105.19 99.32 2wb4 n GLY 369 Ca 0.02 0.92 0.09 0.00 0.00 0.00 0.00 46.02 47.05 2wb4 n GLY 369 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wb4 n GLU 370 N -4.52 1.91 -4.83 1.61 0.28 -1.26 -5.03 120.64 108.80 2wb4 n GLU 370 Ca 0.01 -2.72 -0.30 0.00 -0.16 0.00 0.00 57.16 54.00 2wb4 n GLU 370 Cb 0.17 -1.64 -0.14 0.00 1.43 0.00 0.00 31.44 31.25 2wb4 n GLU 370 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2wb4 s GLU 371 N -2.89 1.71 0.11 3.44 2.02 -0.98 -2.65 118.70 119.48 2wb4 s GLU 371 Ca 0.36 -1.12 0.04 0.00 0.02 0.00 0.00 54.97 54.27 2wb4 s GLU 371 Cb 0.31 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 2wb4 s GLU 371 CO 0.05 0.49 -0.10 -0.06 0.02 0.00 0.00 175.26 175.66 2wb4 s PHE 372 N -0.83 1.13 -0.02 1.61 0.08 -0.21 -1.43 117.98 118.31 2wb4 s PHE 372 Ca 0.12 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.48 2wb4 s PHE 372 Cb -0.10 -0.60 0.00 0.00 -0.57 0.00 0.00 43.02 41.75 2wb4 s PHE 372 CO 0.02 0.02 -0.06 0.08 -0.10 0.00 0.00 175.22 175.18 2wb4 s VAL 373 N -2.82 0.57 -0.09 -0.44 1.01 -0.16 -0.55 120.40 117.92 2wb4 s VAL 373 Ca 0.10 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2wb4 s VAL 373 Cb -0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 2wb4 s VAL 373 CO -0.00 0.19 -0.16 -0.69 0.00 0.00 0.00 175.10 174.44 2wb4 s VAL 374 N 0.20 2.84 -0.19 2.92 1.01 -0.40 -0.44 120.40 126.36 2wb4 s VAL 374 Ca -0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2wb4 s VAL 374 Cb -0.07 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2wb4 s VAL 374 CO -0.00 0.55 0.01 -0.63 0.00 0.00 0.00 175.10 175.04 2wb4 s ILE 375 N -0.06 4.22 -0.42 2.22 -1.09 -0.67 -0.47 121.20 124.93 2wb4 s ILE 375 Ca -0.04 -0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 2wb4 s ILE 375 Cb -0.14 -2.90 0.11 0.00 -1.58 0.00 0.00 42.46 37.96 2wb4 s ILE 375 CO 0.04 0.45 0.14 -0.04 -1.23 0.00 0.00 174.94 174.30 2wb4 s MET 376 N 0.69 1.71 0.85 2.79 -1.94 0.40 -0.99 119.30 122.81 2wb4 s MET 376 Ca 0.01 -2.17 -0.11 0.00 -1.71 0.00 0.00 55.69 51.70 2wb4 s MET 376 Cb -0.14 -3.28 0.11 0.00 2.01 0.00 0.00 34.83 33.53 2wb4 s MET 376 CO 0.02 -1.01 1.15 -2.14 -0.01 0.00 0.00 175.02 173.03 2wb4 s PRO 377 N 0.44 1.48 -1.52 2.03 0.02 -1.26 -1.66 135.00 134.53 2wb4 s PRO 377 Ca 0.13 1.55 -0.07 0.00 0.02 0.00 0.00 61.00 62.63 2wb4 s PRO 377 Cb -0.22 -1.78 0.06 0.00 0.02 0.00 0.00 34.50 32.58 2wb4 s PRO 377 CO -0.05 -2.29 0.54 -3.47 -0.33 0.00 0.00 177.00 171.40 2wb4 n ASP 378 N -3.75 -1.42 -3.72 2.53 2.03 0.03 -4.86 116.55 107.39 2wb4 n ASP 378 Ca 0.12 -1.02 -0.18 0.00 0.52 0.00 0.00 54.79 54.23 2wb4 n ASP 378 Cb 0.52 -2.89 -0.17 0.00 -0.72 0.00 0.00 41.12 37.85 2wb4 n ASP 378 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2wb4 s THR 379 N -3.73 -0.04 0.67 5.18 2.01 -0.94 -4.91 115.64 113.87 2wb4 s THR 379 Ca 0.28 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 2wb4 s THR 379 Cb -0.15 -0.16 0.09 0.00 0.01 0.00 0.00 72.50 72.29 2wb4 s THR 379 CO 0.91 0.15 0.93 0.00 -0.69 0.00 0.00 174.62 175.93 2wb4 s ALA 380 N 1.73 3.66 0.27 7.40 0.00 -1.26 -3.10 121.76 130.46 2wb4 s ALA 380 Ca -0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.43 2wb4 s ALA 380 Cb -0.12 -2.12 0.35 0.00 0.00 0.00 0.00 23.12 21.22 2wb4 s ALA 380 CO -0.03 -1.24 1.87 1.25 0.00 0.00 0.00 175.76 177.61 2wb4 h LEU 381 N -0.37 0.94 0.20 0.00 5.85 -1.95 -2.55 115.31 117.43 2wb4 h LEU 381 Ca -0.39 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 2wb4 h LEU 381 Cb 1.28 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2wb4 h LEU 381 CO 0.46 0.80 -0.10 0.00 -0.34 0.00 0.00 178.44 179.26 2wb4 h ALA 382 N 1.35 -0.27 -0.36 1.25 0.00 -2.00 -1.30 119.26 117.93 2wb4 h ALA 382 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wb4 h ALA 382 Cb 0.11 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2wb4 h ALA 382 CO -0.03 -0.62 0.17 -0.44 0.00 0.00 0.00 179.25 178.33 2wb4 h ASP 383 N -0.34 0.44 -0.08 0.00 3.32 -1.94 -2.25 116.42 115.56 2wb4 h ASP 383 Ca -0.03 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 2wb4 h ASP 383 Cb 0.26 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2wb4 h ASP 383 CO 0.05 0.38 -0.32 0.00 -1.72 0.00 0.00 179.24 177.62 2wb4 h ALA 384 N 1.69 0.94 -0.16 3.45 0.00 -1.22 -0.87 119.26 123.10 2wb4 h ALA 384 Ca 0.13 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2wb4 h ALA 384 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2wb4 h ALA 384 CO -0.02 0.61 -0.29 -0.07 0.00 0.00 0.00 179.25 179.48 2wb4 h LEU 385 N 0.48 0.30 0.02 0.00 3.38 -0.68 -1.40 115.31 117.41 2wb4 h LEU 385 Ca 0.06 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2wb4 h LEU 385 Cb 0.79 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2wb4 h LEU 385 CO 0.06 0.59 -0.49 -0.09 0.09 0.00 0.00 178.44 178.61 2wb4 h ARG 386 N 0.26 0.30 -0.86 1.13 2.43 -1.25 -1.91 114.38 114.48 2wb4 h ARG 386 Ca 0.04 -0.35 0.10 0.00 -0.81 0.00 0.00 59.98 58.96 2wb4 h ARG 386 Cb 0.66 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.24 2wb4 h ARG 386 CO 0.05 1.05 0.50 0.82 -1.51 0.00 0.00 179.97 180.88 2wb4 h ILE 387 N -0.30 0.90 -0.25 1.20 2.04 -1.14 -1.78 117.51 118.17 2wb4 h ILE 387 Ca -0.07 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 2wb4 h ILE 387 Cb 1.24 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2wb4 h ILE 387 CO 0.09 0.15 0.05 0.00 0.00 0.00 0.00 178.15 178.44 2wb4 h ALA 388 N 1.48 0.33 -0.80 1.87 0.00 -1.16 -1.93 119.26 119.05 2wb4 h ALA 388 Ca 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2wb4 h ALA 388 Cb 0.41 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2wb4 h ALA 388 CO -0.26 0.01 0.38 1.49 0.00 0.00 0.00 179.25 180.87 2wb4 h GLU 389 N 0.23 1.16 0.09 0.00 4.57 -1.19 -0.63 114.58 118.81 2wb4 h GLU 389 Ca 0.08 -0.17 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2wb4 h GLU 389 Cb 0.32 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2wb4 h GLU 389 CO 0.00 0.90 -0.20 -0.09 -1.18 0.00 0.00 179.01 178.45 2wb4 h ARG 390 N 1.14 -0.35 -0.89 1.92 2.43 -1.13 -2.23 114.38 115.27 2wb4 h ARG 390 Ca 0.27 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2wb4 h ARG 390 Cb 0.13 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 2wb4 h ARG 390 CO -0.03 -0.24 0.55 0.82 -1.51 0.00 0.00 179.97 179.56 2wb4 h ILE 391 N -0.37 1.24 -0.42 1.20 2.04 -0.72 -2.29 117.51 118.19 2wb4 h ILE 391 Ca 0.03 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.43 2wb4 h ILE 391 Cb 0.40 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 2wb4 h ILE 391 CO -0.12 0.24 0.20 -0.09 0.00 0.00 0.00 178.15 178.39 2wb4 h ARG 392 N 1.22 0.40 -0.28 2.37 2.43 -0.84 -2.68 114.38 117.00 2wb4 h ARG 392 Ca 0.32 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.34 2wb4 h ARG 392 Cb -0.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2wb4 h ARG 392 CO -0.06 0.26 -0.35 0.52 -1.51 0.00 0.00 179.97 178.84 2wb4 h MET 393 N 0.41 0.62 -0.43 0.20 2.86 -0.88 -2.06 114.93 115.64 2wb4 h MET 393 Ca 0.18 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2wb4 h MET 393 Cb 0.10 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2wb4 h MET 393 CO -0.13 0.88 0.29 0.45 1.06 0.00 0.00 176.91 179.45 2wb4 h HIS 394 N 0.52 0.37 0.17 -0.22 3.86 -1.12 0.42 115.15 119.16 2wb4 h HIS 394 Ca 0.06 0.01 -0.34 0.00 -1.16 0.00 0.00 60.37 58.94 2wb4 h HIS 394 Cb 0.84 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 29.20 2wb4 h HIS 394 CO 0.04 0.21 -1.66 -0.39 0.86 0.00 0.00 177.93 176.98 2wb4 h VAL 395 N 0.38 1.04 0.00 2.45 -1.51 -1.13 -3.34 116.25 114.13 2wb4 h VAL 395 Ca 0.19 -2.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.04 2wb4 h VAL 395 Cb 0.26 2.79 0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2wb4 h VAL 395 CO -0.04 0.84 0.00 0.77 -1.23 0.00 0.00 177.57 177.90 2wb4 h SER 396 N 0.10 0.00 0.65 4.19 4.64 -1.32 -3.35 113.55 118.46 2wb4 h SER 396 Ca -0.30 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.82 2wb4 h SER 396 Cb 2.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.16 2wb4 h SER 396 CO 0.18 0.00 -0.88 1.23 -0.87 0.00 0.00 176.83 176.49 2wb4 h GLY 397 N 3.72 0.17 -5.02 -0.77 0.00 -0.27 -3.44 103.07 97.45 2wb4 h GLY 397 Ca 0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 47.33 46.71 2wb4 h GLY 397 CO 0.00 0.27 -0.75 -1.35 0.00 0.00 0.00 176.54 174.71 2wb4 s SER 398 N -6.90 0.84 0.83 0.19 1.04 -1.26 -5.07 113.70 103.38 2wb4 s SER 398 Ca -0.02 -0.34 -0.11 0.00 0.48 0.00 0.00 55.95 55.96 2wb4 s SER 398 Cb 0.10 -0.03 0.09 0.00 0.10 0.00 0.00 66.02 66.29 2wb4 s SER 398 CO 0.82 -0.06 1.09 -2.16 0.98 0.00 0.00 173.24 173.92 2wb4 s PRO 399 N -0.89 1.80 -0.16 4.02 0.04 -1.26 -4.86 135.00 133.70 2wb4 s PRO 399 Ca -0.03 0.77 -0.09 0.00 0.04 0.00 0.00 61.00 61.69 2wb4 s PRO 399 Cb -0.06 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2wb4 s PRO 399 CO 0.00 -1.85 0.15 -0.06 0.04 0.00 0.00 177.00 175.28 2wb4 s PHE 400 N -3.04 3.51 0.32 0.56 2.99 0.11 -4.88 117.98 117.56 2wb4 s PHE 400 Ca 0.62 0.46 -0.28 0.00 0.00 0.00 0.00 56.93 57.73 2wb4 s PHE 400 Cb -0.16 -2.08 -0.09 0.00 0.00 0.00 0.00 43.02 40.69 2wb4 s PHE 400 CO 0.55 0.50 1.09 0.99 -0.00 0.00 0.00 175.22 178.36 2wb4 s THR 401 N -0.30 3.51 0.28 0.64 2.01 -1.26 -1.49 115.64 119.02 2wb4 s THR 401 Ca 0.12 1.41 -0.20 0.00 0.31 0.00 0.00 61.69 63.34 2wb4 s THR 401 Cb -0.12 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2wb4 s THR 401 CO 0.02 0.25 0.68 -0.69 -0.69 0.00 0.00 174.62 174.19 2wb4 s VAL 402 N -1.30 0.00 -1.21 3.82 1.01 -0.11 -4.86 120.40 117.75 2wb4 s VAL 402 Ca 0.49 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 2wb4 s VAL 402 Cb -0.29 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2wb4 s VAL 402 CO 0.38 0.00 0.77 0.00 0.00 0.00 0.00 175.10 176.24 2wb4 n ALA 403 N -0.45 -2.26 -3.41 5.51 0.00 -1.26 -1.34 120.51 117.30 2wb4 n ALA 403 Ca -0.04 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 2wb4 n ALA 403 Cb 0.59 -3.32 0.07 0.00 0.00 0.00 0.00 19.45 16.80 2wb4 n ALA 403 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wb4 n HIS 404 N -4.05 -2.40 -1.62 0.00 8.25 -1.26 -2.31 115.22 111.83 2wb4 n HIS 404 Ca -0.20 0.86 -0.16 0.00 -0.26 0.00 0.00 57.72 57.97 2wb4 n HIS 404 Cb 0.64 -4.49 -0.06 0.00 1.12 0.00 0.00 29.99 27.21 2wb4 n HIS 404 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wb4 n GLY 405 N -1.71 1.28 0.00 -1.41 0.00 -0.99 -4.88 105.19 97.47 2wb4 n GLY 405 Ca -0.02 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.79 2wb4 n GLY 405 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wb4 n ARG 406 N -2.54 3.14 -4.27 1.61 0.63 -0.64 -4.87 116.66 109.73 2wb4 n ARG 406 Ca -0.17 -0.02 -0.20 0.00 -0.92 0.00 0.00 57.85 56.54 2wb4 n ARG 406 Cb 0.55 -1.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.34 2wb4 n ARG 406 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2wb4 s GLU 407 N -2.04 0.93 -0.02 -0.14 2.12 -0.45 -5.02 118.70 114.09 2wb4 s GLU 407 Ca 0.02 -0.93 0.05 0.00 0.36 0.00 0.00 54.97 54.47 2wb4 s GLU 407 Cb 0.07 -0.99 -0.03 0.00 0.26 0.00 0.00 34.13 33.44 2wb4 s GLU 407 CO 0.38 0.23 -0.18 -1.64 -0.54 0.00 0.00 175.26 173.51 2wb4 s MET 408 N -1.57 2.32 -0.03 4.30 -1.94 -1.26 -0.94 119.30 120.19 2wb4 s MET 408 Ca 0.01 -0.81 -0.03 0.00 -1.71 0.00 0.00 55.69 53.16 2wb4 s MET 408 Cb -0.09 -2.26 0.01 0.00 2.01 0.00 0.00 34.83 34.49 2wb4 s MET 408 CO 0.02 0.59 0.08 -1.17 -0.01 0.00 0.00 175.02 174.54 2wb4 s LEU 409 N -0.86 1.60 -0.04 -0.03 2.96 -0.56 -4.94 118.68 116.80 2wb4 s LEU 409 Ca 0.12 0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 54.05 2wb4 s LEU 409 Cb -0.10 0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.80 2wb4 s LEU 409 CO 0.01 -0.04 0.39 0.20 -1.32 0.00 0.00 176.35 175.60 2wb4 s ASN 410 N 0.17 6.73 -0.03 3.68 0.01 -1.26 0.08 114.94 124.31 2wb4 s ASN 410 Ca -0.01 0.87 -0.00 0.00 -0.71 0.00 0.00 52.86 53.00 2wb4 s ASN 410 Cb -0.02 -2.24 0.03 0.00 0.41 0.00 0.00 41.25 39.43 2wb4 s ASN 410 CO -0.00 0.25 0.02 -0.69 -1.51 0.00 0.00 177.10 175.17 2wb4 s VAL 411 N -0.63 0.05 0.25 1.60 1.01 -1.26 -4.99 120.40 116.43 2wb4 s VAL 411 Ca 0.23 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.52 2wb4 s VAL 411 Cb -0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2wb4 s VAL 411 CO 0.11 0.15 -0.07 0.42 0.00 0.00 0.00 175.10 175.71 2wb4 s THR 412 N 1.41 3.18 0.14 3.92 -4.23 -1.26 -3.83 115.64 114.96 2wb4 s THR 412 Ca -0.05 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 2wb4 s THR 412 Cb -0.13 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 2wb4 s THR 412 CO -0.03 -0.31 -0.18 0.27 -0.54 0.00 0.00 174.62 173.83 2wb4 s ILE 413 N -2.20 1.66 -0.06 2.99 -4.36 -1.26 -1.33 121.20 116.65 2wb4 s ILE 413 Ca 0.29 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 2wb4 s ILE 413 Cb -0.07 -1.68 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 2wb4 s ILE 413 CO 0.18 -0.27 -0.12 -0.44 0.24 0.00 0.00 174.94 174.52 2wb4 s SER 414 N -2.40 4.19 0.02 4.36 0.01 -0.41 -3.21 113.70 116.25 2wb4 s SER 414 Ca 0.11 -0.16 0.05 0.00 1.31 0.00 0.00 55.95 57.27 2wb4 s SER 414 Cb -0.07 -0.97 -0.02 0.00 0.21 0.00 0.00 66.02 65.18 2wb4 s SER 414 CO 0.05 0.34 -0.17 -0.63 0.41 0.00 0.00 173.24 173.25 2wb4 s ILE 415 N -0.70 1.31 -0.05 1.44 1.01 -0.53 -1.30 121.20 122.39 2wb4 s ILE 415 Ca 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2wb4 s ILE 415 Cb -0.11 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 2wb4 s ILE 415 CO 0.01 0.22 -0.23 -0.83 0.00 0.00 0.00 174.94 174.12 2wb4 s GLY 416 N -0.78 1.35 0.02 6.18 0.00 0.33 -1.79 107.32 112.63 2wb4 s GLY 416 Ca 0.05 -1.04 0.07 0.00 0.00 0.00 0.00 44.72 43.80 2wb4 s GLY 416 CO 0.00 -0.71 -0.22 0.14 0.00 0.00 0.00 173.10 172.31 2wb4 s VAL 417 N -0.35 1.76 0.14 1.40 1.01 -0.69 -0.74 120.40 122.94 2wb4 s VAL 417 Ca 0.02 -1.14 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 2wb4 s VAL 417 Cb -0.12 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2wb4 s VAL 417 CO 0.02 0.33 0.39 -0.55 0.00 0.00 0.00 175.10 175.29 2wb4 s SER 418 N -0.96 -0.16 -0.08 3.32 0.15 -0.67 -1.68 113.70 113.62 2wb4 s SER 418 Ca 0.08 -0.48 -0.13 0.00 0.70 0.00 0.00 55.95 56.12 2wb4 s SER 418 Cb -0.09 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.73 2wb4 s SER 418 CO 0.01 -0.90 0.34 0.00 1.20 0.00 0.00 173.24 173.89 2wb4 s ALA 419 N -3.85 -0.84 0.58 5.45 0.00 -1.26 -1.53 121.76 120.31 2wb4 s ALA 419 Ca 0.07 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 2wb4 s ALA 419 Cb 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 2wb4 s ALA 419 CO -0.08 -0.20 0.94 0.25 0.00 0.00 0.00 175.76 176.67 2wb4 n THR 420 N 2.23 3.44 -2.98 0.00 -2.24 -0.66 -4.79 114.28 109.30 2wb4 n THR 420 Ca -0.16 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 60.96 2wb4 n THR 420 Cb 0.57 -1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 67.67 2wb4 n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wb4 n ALA 421 N -1.58 0.57 0.00 6.98 0.00 -1.26 -4.85 120.51 120.37 2wb4 n ALA 421 Ca 0.13 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.14 2wb4 n ALA 421 Cb 0.46 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2wb4 n ALA 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wb4 n GLY 422 N 1.39 0.09 0.00 0.00 0.00 -1.26 -4.60 105.19 100.81 2wb4 n GLY 422 Ca 0.15 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.42 2wb4 n GLY 422 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wb4 n GLU 423 N 0.28 0.49 -0.08 1.61 1.02 -1.26 -1.86 120.64 120.83 2wb4 n GLU 423 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 2wb4 n GLU 423 Cb 0.00 -1.43 0.13 0.00 -0.02 0.00 0.00 31.44 30.12 2wb4 n GLU 423 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wb4 n GLY 424 N -0.01 4.63 3.92 0.62 0.00 -1.26 -4.93 105.19 108.16 2wb4 n GLY 424 Ca 0.10 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 2wb4 n GLY 424 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wb4 s ASP 425 N -2.62 6.18 0.07 1.61 2.15 -0.78 -5.09 116.67 118.20 2wb4 s ASP 425 Ca 0.29 0.77 -0.04 0.00 0.43 0.00 0.00 52.55 54.01 2wb4 s ASP 425 Cb 0.25 -2.11 -0.03 0.00 -0.30 0.00 0.00 42.92 40.73 2wb4 s ASP 425 CO 0.03 -0.57 0.05 0.42 -0.17 0.00 0.00 175.17 174.93 2wb4 s THR 426 N -2.67 0.19 0.19 1.71 -4.23 -1.26 -4.97 115.64 104.60 2wb4 s THR 426 Ca 0.46 -1.60 -0.10 0.00 -1.18 0.00 0.00 61.69 59.27 2wb4 s THR 426 Cb -0.10 -1.49 0.12 0.00 1.34 0.00 0.00 72.50 72.37 2wb4 s THR 426 CO 0.43 -0.85 1.79 -0.65 -0.54 0.00 0.00 174.62 174.80 2wb4 h PRO 427 N 3.00 0.99 -0.18 3.99 0.11 -1.95 0.12 132.00 138.09 2wb4 h PRO 427 Ca -0.34 -0.14 0.05 0.00 0.11 0.00 0.00 66.00 65.68 2wb4 h PRO 427 Cb 1.16 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 2wb4 h PRO 427 CO 0.62 0.77 -0.19 0.93 -0.21 0.00 0.00 178.00 179.92 2wb4 h GLU 428 N 0.97 -0.21 -0.76 1.05 3.07 -1.98 -0.37 114.58 116.35 2wb4 h GLU 428 Ca 0.24 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.10 2wb4 h GLU 428 Cb 0.09 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 2wb4 h GLU 428 CO -0.03 -0.14 0.40 0.00 -1.40 0.00 0.00 179.01 177.84 2wb4 h ALA 429 N 0.85 0.98 -0.22 3.43 0.00 -1.79 -1.30 119.26 121.20 2wb4 h ALA 429 Ca 0.11 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2wb4 h ALA 429 Cb 0.38 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2wb4 h ALA 429 CO -0.30 0.52 0.04 1.25 0.00 0.00 0.00 179.25 180.75 2wb4 h LEU 430 N 1.07 0.01 -0.61 0.00 5.85 -0.46 -0.97 115.31 120.20 2wb4 h LEU 430 Ca 0.27 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.88 2wb4 h LEU 430 Cb 0.07 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2wb4 h LEU 430 CO -0.04 0.04 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.57 2wb4 h LEU 431 N 0.13 0.61 -1.29 2.25 3.38 -0.70 -1.96 115.31 117.74 2wb4 h LEU 431 Ca 0.10 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2wb4 h LEU 431 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2wb4 h LEU 431 CO -0.13 0.98 -0.31 0.50 0.09 0.00 0.00 178.44 179.57 2wb4 h LYS 432 N 0.46 0.08 -0.23 1.13 3.64 -1.10 0.23 116.57 120.77 2wb4 h LYS 432 Ca 0.03 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2wb4 h LYS 432 Cb 0.97 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2wb4 h LYS 432 CO 0.09 0.38 -0.36 0.00 -2.27 0.00 0.00 179.45 177.29 2wb4 h ARG 433 N 0.07 0.51 -0.14 1.90 3.08 -0.80 -2.32 114.38 116.66 2wb4 h ARG 433 Ca 0.01 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.67 2wb4 h ARG 433 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2wb4 h ARG 433 CO 0.04 0.79 -0.57 0.00 -1.07 0.00 0.00 179.97 179.17 2wb4 h ALA 434 N 1.19 0.74 -0.65 0.04 0.00 -0.58 -2.73 119.26 117.27 2wb4 h ALA 434 Ca 0.05 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.48 2wb4 h ALA 434 Cb 0.83 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2wb4 h ALA 434 CO 0.07 0.70 0.43 -0.44 0.00 0.00 0.00 179.25 180.01 2wb4 h ASP 435 N 0.34 0.61 -0.28 0.00 3.32 -0.29 -1.08 116.42 119.04 2wb4 h ASP 435 Ca 0.00 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2wb4 h ASP 435 Cb 1.10 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 2wb4 h ASP 435 CO 0.10 0.41 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.34 2wb4 h GLU 436 N 0.70 0.74 -0.31 3.56 4.39 -1.31 -1.77 114.58 120.58 2wb4 h GLU 436 Ca 0.27 -0.42 0.07 0.00 0.34 0.00 0.00 59.36 59.62 2wb4 h GLU 436 Cb 0.19 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 2wb4 h GLU 436 CO -0.08 1.04 -0.20 0.78 -1.16 0.00 0.00 179.01 179.39 2wb4 h GLY 437 N 0.48 -0.01 1.00 -3.84 0.00 -1.08 0.27 103.07 99.88 2wb4 h GLY 437 Ca 0.03 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 2wb4 h GLY 437 CO 0.09 -0.19 0.40 -2.08 0.00 0.00 0.00 176.54 174.76 2wb4 h VAL 438 N -0.17 1.20 -0.68 4.60 2.07 -1.07 0.11 116.25 122.32 2wb4 h VAL 438 Ca 0.16 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2wb4 h VAL 438 Cb 0.42 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2wb4 h VAL 438 CO -0.41 0.21 0.23 0.22 0.02 0.00 0.00 177.57 177.84 2wb4 h TYR 439 N 0.92 1.07 -0.19 1.57 3.20 -0.82 -1.85 116.97 120.87 2wb4 h TYR 439 Ca 0.24 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 2wb4 h TYR 439 Cb -0.02 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 2wb4 h TYR 439 CO -0.01 0.85 -0.01 0.37 -1.64 0.00 0.00 178.16 177.71 2wb4 h GLN 440 N 0.98 0.34 -0.76 1.82 4.15 -0.25 -2.56 115.11 118.82 2wb4 h GLN 440 Ca 0.22 -0.11 0.12 0.00 0.77 0.00 0.00 58.65 59.65 2wb4 h GLN 440 Cb 0.26 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.84 2wb4 h GLN 440 CO -0.01 0.56 0.36 0.00 -1.93 0.00 0.00 178.83 177.81 2wb4 h ALA 441 N 0.77 1.08 0.00 3.38 0.00 -0.82 -0.94 119.26 122.73 2wb4 h ALA 441 Ca 0.05 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2wb4 h ALA 441 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2wb4 h ALA 441 CO 0.01 -0.09 -0.25 0.87 0.00 0.00 0.00 179.25 179.79 2wb4 h LYS 442 N 0.57 0.00 -0.00 0.00 1.57 -1.22 -2.88 116.57 114.61 2wb4 h LYS 442 Ca 0.40 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.00 2wb4 h LYS 442 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2wb4 h LYS 442 CO -0.33 0.25 -0.81 0.00 -0.57 0.00 0.00 179.45 177.99 2wb4 h ALA 443 N 1.75 0.66 0.00 3.86 0.00 -0.78 -3.26 119.26 121.49 2wb4 h ALA 443 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2wb4 h ALA 443 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wb4 h ALA 443 CO 0.03 0.96 0.00 -1.13 0.00 0.00 0.00 179.25 179.11 2wb4 n SER 444 N -3.62 0.00 0.00 0.00 3.41 -0.72 -4.95 113.62 107.74 2wb4 n SER 444 Ca -0.01 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 2wb4 n SER 444 Cb 0.77 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 2wb4 n SER 444 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wb4 n GLY 445 N -0.02 0.20 0.00 5.00 0.00 -1.23 -5.10 105.19 104.04 2wb4 n GLY 445 Ca 0.10 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2wb4 n GLY 445 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb4 n ARG 446 N 0.00 0.23 -3.50 1.61 1.74 -1.26 -3.94 116.66 111.54 2wb4 n ARG 446 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 2wb4 n ARG 446 Cb 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.51 2wb4 n ARG 446 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wb4 n ASN 447 N -2.10 -2.49 -3.87 0.55 5.15 -1.20 -4.98 115.26 106.33 2wb4 n ASN 447 Ca 0.00 -0.71 -0.10 0.00 -0.60 0.00 0.00 54.58 53.17 2wb4 n ASN 447 Cb 0.00 -4.73 -0.08 0.00 -0.53 0.00 0.00 39.78 34.44 2wb4 n ASN 447 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wb4 s ALA 448 N -3.47 -0.26 -0.14 5.20 0.00 -1.23 -4.99 121.76 116.87 2wb4 s ALA 448 Ca 0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 2wb4 s ALA 448 Cb -0.01 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 2wb4 s ALA 448 CO 0.76 -0.39 -0.06 0.08 0.00 0.00 0.00 175.76 176.15 2wb4 s VAL 449 N -2.88 3.66 -0.08 0.00 1.01 -1.26 -1.45 120.40 119.40 2wb4 s VAL 449 Ca -0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2wb4 s VAL 449 Cb 0.00 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.84 2wb4 s VAL 449 CO -0.06 0.51 -0.01 -0.69 0.00 0.00 0.00 175.10 174.85 2wb4 s VAL 450 N 0.22 0.48 0.18 2.92 1.01 -0.74 -4.98 120.40 119.49 2wb4 s VAL 450 Ca -0.04 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 2wb4 s VAL 450 Cb -0.14 -0.61 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 2wb4 s VAL 450 CO 0.04 0.27 0.42 -0.83 0.00 0.00 0.00 175.10 175.00 2wb4 s GLY 451 N 1.86 2.15 -0.07 4.51 0.00 -1.26 -1.71 107.32 112.80 2wb4 s GLY 451 Ca 0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.20 2wb4 s GLY 451 CO -0.05 -0.47 -0.00 0.54 0.00 0.00 0.00 173.10 173.12 2wb4 s LYS 452 N -2.86 0.60 0.35 2.90 -0.14 -0.68 -4.90 119.74 115.01 2wb4 s LYS 452 Ca 0.42 0.09 -0.05 0.00 -1.36 0.00 0.00 55.97 55.08 2wb4 s LYS 452 Cb -0.12 -0.94 -0.05 0.00 -1.68 0.00 0.00 37.83 35.05 2wb4 s LYS 452 CO 0.25 -0.28 0.62 0.00 -0.76 0.00 0.00 175.35 175.18 2wb4 s ALA 453 N 1.85 3.56 0.43 5.17 0.00 -1.26 -4.51 121.76 127.00 2wb4 s ALA 453 Ca 0.03 -0.57 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 2wb4 s ALA 453 Cb -0.12 -2.36 -0.08 0.00 0.00 0.00 0.00 23.12 20.55 2wb4 s ALA 453 CO -0.05 0.07 1.12 0.00 0.00 0.00 0.00 175.76 176.90 2wb4 s ALA 454 N -2.27 3.03 -0.07 0.00 0.00 -1.26 -5.06 121.76 116.13 2wb4 s ALA 454 Ca 0.45 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 2wb4 s ALA 454 Cb -0.10 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2wb4 s ALA 454 CO 0.34 -0.48 0.03 -1.01 0.00 0.00 0.00 175.76 174.64 2wb4 s HIS 455 N -1.57 0.42 0.58 0.00 3.76 -1.26 -5.12 115.29 112.10 2wb4 s HIS 455 Ca 0.61 -0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 55.29 2wb4 s HIS 455 Cb -0.26 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.70 2wb4 s HIS 455 CO 0.33 -0.31 1.09 -1.01 -0.85 0.00 0.00 174.74 173.99 2wb4 s HIS 456 N 2.05 2.81 0.70 1.40 3.76 -1.26 -5.08 115.29 119.68 2wb4 s HIS 456 Ca 0.04 1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 56.38 2wb4 s HIS 456 Cb -0.13 -3.13 0.01 0.00 1.11 0.00 0.00 32.58 30.44 2wb4 s HIS 456 CO -0.05 -1.33 1.07 -1.01 -0.85 0.00 0.00 174.74 172.57 2wb4 s HIS 457 N -2.17 3.25 0.39 1.40 0.09 -1.26 -4.95 115.29 112.03 2wb4 s HIS 457 Ca 0.67 1.22 0.16 0.00 -0.00 0.00 0.00 55.06 57.11 2wb4 s HIS 457 Cb -0.19 -2.94 1.02 0.00 -0.00 0.00 0.00 32.58 30.47 2wb4 s HIS 457 CO 0.33 -1.19 1.82 0.45 -0.00 0.00 0.00 174.74 176.14 2wb4 h HIS 458 N -0.68 0.67 0.00 1.40 3.86 -2.08 -3.58 115.15 114.75 2wb4 h HIS 458 Ca -0.45 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2wb4 h HIS 458 Cb 1.23 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.50 2wb4 h HIS 458 CO 0.56 0.14 0.00 -2.39 0.86 0.00 0.00 177.93 177.11