#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 -1.42 -0.26 -0.43 0.00 -1.26 -5.05 121.76 113.34 2wb4 s ALA 3 Ca 0.00 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 2wb4 s ALA 3 Cb 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 2wb4 s ALA 3 CO 0.00 -0.50 0.16 1.03 0.00 0.00 0.00 175.76 176.45 2wb4 s ARG 4 N -2.33 3.93 -0.09 0.00 0.52 -1.26 -1.31 118.95 118.41 2wb4 s ARG 4 Ca -0.06 -0.33 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 2wb4 s ARG 4 Cb -0.01 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 2wb4 s ARG 4 CO -0.01 -0.12 -0.20 0.42 0.02 0.00 0.00 175.30 175.41 2wb4 s ILE 5 N 1.55 2.43 -0.28 1.52 1.01 -0.68 -0.72 121.20 126.03 2wb4 s ILE 5 Ca 0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 2wb4 s ILE 5 Cb -0.15 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 2wb4 s ILE 5 CO 0.08 0.56 0.09 -0.22 0.00 0.00 0.00 174.94 175.45 2wb4 s LEU 6 N 0.10 3.77 -0.18 2.97 2.96 -0.50 -1.71 118.68 126.09 2wb4 s LEU 6 Ca -0.10 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 2wb4 s LEU 6 Cb -0.16 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2wb4 s LEU 6 CO 0.06 -0.14 0.06 -0.69 -1.32 0.00 0.00 176.35 174.32 2wb4 s VAL 7 N 1.57 4.77 -0.07 1.68 1.01 -0.24 -0.71 120.40 128.42 2wb4 s VAL 7 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2wb4 s VAL 7 Cb -0.16 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.09 2wb4 s VAL 7 CO 0.04 0.47 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 2wb4 s VAL 8 N 0.32 1.03 -0.29 2.92 1.01 -0.41 -1.63 120.40 123.36 2wb4 s VAL 8 Ca 0.03 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 2wb4 s VAL 8 Cb -0.12 -0.97 0.16 0.00 0.00 0.00 0.00 36.38 35.45 2wb4 s VAL 8 CO 0.00 0.34 1.27 -0.62 0.00 0.00 0.00 175.10 176.08 2wb4 s ASP 9 N 0.82 -0.22 0.36 3.32 -1.08 -1.06 -1.33 116.67 117.47 2wb4 s ASP 9 Ca -0.12 0.43 0.25 0.00 -0.52 0.00 0.00 52.55 52.58 2wb4 s ASP 9 Cb -0.15 0.46 0.56 0.00 -1.46 0.00 0.00 42.92 42.33 2wb4 s ASP 9 CO 0.02 -0.07 1.69 -2.24 0.52 0.00 0.00 175.17 175.08 2wb4 h ASP 10 N 3.66 0.00 -3.64 -0.34 2.03 -1.84 -3.39 116.42 112.90 2wb4 h ASP 10 Ca -0.28 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.40 2wb4 h ASP 10 Cb 1.19 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.54 2wb4 h ASP 10 CO 0.15 0.00 -0.45 -0.63 -1.03 0.00 0.00 179.24 177.28 2wb4 s ILE 11 N -3.19 5.32 0.30 4.15 1.01 -1.26 -4.97 121.20 122.55 2wb4 s ILE 11 Ca 0.08 0.28 0.04 0.00 0.00 0.00 0.00 60.65 61.05 2wb4 s ILE 11 Cb 0.08 -3.55 0.09 0.00 0.01 0.00 0.00 42.46 39.08 2wb4 s ILE 11 CO 0.63 0.30 1.76 -0.08 0.00 0.00 0.00 174.94 177.56 2wb4 h GLU 12 N 7.71 0.44 -0.92 2.79 4.81 -2.00 -1.21 114.58 126.19 2wb4 h GLU 12 Ca -0.37 -0.15 0.09 0.00 -0.13 0.00 0.00 59.36 58.81 2wb4 h GLU 12 Cb 1.17 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 2wb4 h GLU 12 CO 0.64 0.63 0.57 0.00 -0.73 0.00 0.00 179.01 180.12 2wb4 h ALA 13 N 1.38 1.33 -0.29 2.92 0.00 -1.97 -1.07 119.26 121.56 2wb4 h ALA 13 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wb4 h ALA 13 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2wb4 h ALA 13 CO 0.04 0.23 0.06 -0.91 0.00 0.00 0.00 179.25 178.68 2wb4 h ASN 14 N 0.96 0.45 0.20 0.00 2.35 -1.63 -2.49 115.58 115.41 2wb4 h ASN 14 Ca 0.44 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2wb4 h ASN 14 Cb 0.34 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2wb4 h ASN 14 CO -0.23 0.58 -0.09 0.58 -1.65 0.00 0.00 177.43 176.61 2wb4 h VAL 15 N 0.30 0.87 -0.55 2.81 2.07 -1.19 -2.23 116.25 118.33 2wb4 h VAL 15 Ca 0.09 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.42 2wb4 h VAL 15 Cb 0.31 1.05 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 2wb4 h VAL 15 CO 0.00 0.07 0.02 0.03 0.02 0.00 0.00 177.57 177.71 2wb4 h ARG 16 N -0.41 0.14 0.28 1.57 3.08 -1.25 0.78 114.38 118.57 2wb4 h ARG 16 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2wb4 h ARG 16 Cb 0.31 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2wb4 h ARG 16 CO 0.04 0.09 -0.16 1.25 -1.07 0.00 0.00 179.97 180.12 2wb4 h LEU 17 N 0.14 -0.41 -0.34 3.04 5.85 -1.34 -0.87 115.31 121.39 2wb4 h LEU 17 Ca 0.28 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2wb4 h LEU 17 Cb 0.44 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2wb4 h LEU 17 CO -0.45 -0.27 0.19 0.25 -0.34 0.00 0.00 178.44 177.82 2wb4 h LEU 18 N -0.42 0.42 -0.35 2.25 5.85 -1.16 -1.78 115.31 120.12 2wb4 h LEU 18 Ca -0.03 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.68 2wb4 h LEU 18 Cb 0.35 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 2wb4 h LEU 18 CO 0.03 0.38 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.25 2wb4 h GLU 19 N 0.43 -0.12 -0.39 1.25 4.81 -0.74 -1.12 114.58 118.69 2wb4 h GLU 19 Ca 0.12 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 2wb4 h GLU 19 Cb 0.05 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 2wb4 h GLU 19 CO -0.02 -0.08 0.02 0.00 -0.73 0.00 0.00 179.01 178.20 2wb4 h ALA 20 N 1.11 0.37 -0.84 2.92 0.00 -0.62 0.49 119.26 122.69 2wb4 h ALA 20 Ca 0.18 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2wb4 h ALA 20 Cb 0.40 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2wb4 h ALA 20 CO -0.43 -0.38 0.40 0.87 0.00 0.00 0.00 179.25 179.71 2wb4 h LYS 21 N 0.13 1.21 -0.11 0.00 1.57 -0.56 -1.08 116.57 117.73 2wb4 h LYS 21 Ca 0.19 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2wb4 h LYS 21 Cb 0.26 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2wb4 h LYS 21 CO -0.30 0.93 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.14 2wb4 h LEU 22 N 1.19 0.46 -1.51 2.94 3.38 -0.52 -3.00 115.31 118.25 2wb4 h LEU 22 Ca 0.29 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2wb4 h LEU 22 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wb4 h LEU 22 CO -0.03 0.96 -0.20 0.71 0.09 0.00 0.00 178.44 179.97 2wb4 h THR 23 N -0.03 0.66 0.00 0.22 1.35 -0.86 -1.41 112.91 112.84 2wb4 h THR 23 Ca -0.01 -0.88 -0.06 0.00 -0.55 0.00 0.00 66.41 64.91 2wb4 h THR 23 Cb 0.91 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 2wb4 h THR 23 CO 0.06 0.20 -0.30 0.00 -0.25 0.00 0.00 175.52 175.23 2wb4 h ALA 24 N 1.80 1.20 -0.61 6.62 0.00 -1.08 -2.47 119.26 124.72 2wb4 h ALA 24 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wb4 h ALA 24 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wb4 h ALA 24 CO 0.03 0.38 0.00 0.39 0.00 0.00 0.00 179.25 180.04 2wb4 n GLU 25 N -3.74 3.49 -1.27 0.00 -0.58 -0.57 -4.96 120.64 113.01 2wb4 n GLU 25 Ca -0.01 -2.64 0.00 0.00 -0.42 0.00 0.00 57.16 54.09 2wb4 n GLU 25 Cb 0.40 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 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 1.06 0.00 -3.06 -0.32 4.01 -0.93 -4.89 117.16 113.03 2wb4 n TYR 26 Ca 0.24 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.66 2wb4 n TYR 26 Cb 0.82 -0.63 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 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 3.38 -0.51 -0.72 2.02 -1.04 -2.09 117.35 116.39 2wb4 s TYR 27 Ca 0.00 1.23 -0.22 0.00 -0.37 0.00 0.00 57.07 57.70 2wb4 s TYR 27 Cb 0.00 -2.55 0.04 0.00 -0.40 0.00 0.00 41.96 39.05 2wb4 s TYR 27 CO 0.00 0.04 0.81 -2.00 -1.57 0.00 0.00 175.55 172.83 2wb4 s GLU 28 N -3.15 3.30 -0.13 -0.62 2.12 -0.43 -4.27 118.70 115.52 2wb4 s GLU 28 Ca 0.54 -0.38 -0.06 0.00 0.36 0.00 0.00 54.97 55.44 2wb4 s GLU 28 Cb -0.10 -4.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.22 2wb4 s GLU 28 CO 0.19 -1.31 0.06 0.08 -0.54 0.00 0.00 175.26 173.75 2wb4 s VAL 29 N 3.41 4.83 0.20 3.70 1.01 -1.26 -1.69 120.40 130.60 2wb4 s VAL 29 Ca 0.26 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.28 2wb4 s VAL 29 Cb -0.14 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2wb4 s VAL 29 CO 0.18 0.55 -0.15 -0.94 0.00 0.00 0.00 175.10 174.74 2wb4 s SER 30 N -0.41 2.63 0.12 3.32 1.04 -0.69 -4.99 113.70 114.72 2wb4 s SER 30 Ca 0.09 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.54 2wb4 s SER 30 Cb -0.12 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 2wb4 s SER 30 CO 0.02 -0.13 -0.01 0.42 0.98 0.00 0.00 173.24 174.52 2wb4 s THR 31 N -2.76 0.45 -0.23 2.02 -4.23 -1.26 -1.08 115.64 108.56 2wb4 s THR 31 Ca 0.21 -1.92 -0.21 0.00 -1.18 0.00 0.00 61.69 58.60 2wb4 s THR 31 Cb -0.02 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 72.01 2wb4 s THR 31 CO 0.07 -0.68 0.60 0.00 -0.54 0.00 0.00 174.62 174.07 2wb4 s ALA 32 N -3.80 -1.48 -2.73 3.99 0.00 -0.64 -4.92 121.76 112.17 2wb4 s ALA 32 Ca 0.18 1.70 0.22 0.00 0.00 0.00 0.00 51.96 54.06 2wb4 s ALA 32 Cb 0.07 -0.99 0.22 0.00 0.00 0.00 0.00 23.12 22.42 2wb4 s ALA 32 CO -0.02 -0.28 1.24 -1.33 0.00 0.00 0.00 175.76 175.37 2wb4 n MET 33 N 2.79 2.19 -3.07 0.00 2.81 -1.26 -2.56 117.12 118.02 2wb4 n MET 33 Ca -0.14 -1.92 -0.07 0.00 -1.81 0.00 0.00 57.70 53.76 2wb4 n MET 33 Cb 0.56 -1.44 0.01 0.00 -0.71 0.00 0.00 33.22 31.64 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 1.30 -1.58 0.10 7.83 5.68 -1.26 -4.13 116.55 124.48 2wb4 n ASP 34 Ca 0.14 -2.20 -0.10 0.00 -0.50 0.00 0.00 54.79 52.13 2wb4 n ASP 34 Cb 0.57 2.67 -0.06 0.00 -1.14 0.00 0.00 41.12 43.16 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 1.45 -0.36 0.25 6.12 0.00 -1.88 -2.60 103.07 106.05 2wb4 h GLY 35 Ca -0.24 0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.31 2wb4 h GLY 35 CO 0.31 -0.13 0.03 -2.55 0.00 0.00 0.00 176.54 174.19 2wb4 h PRO 36 N -0.97 0.14 -1.00 4.80 0.11 -1.97 -0.14 132.00 132.96 2wb4 h PRO 36 Ca -0.03 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.10 2wb4 h PRO 36 Cb 0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.49 2wb4 h PRO 36 CO 0.06 0.09 0.66 1.15 -0.21 0.00 0.00 178.00 179.75 2wb4 h THR 37 N 0.15 1.19 -0.33 -1.15 2.02 -2.00 -1.97 112.91 110.81 2wb4 h THR 37 Ca 0.24 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 2wb4 h THR 37 Cb 0.36 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2wb4 h THR 37 CO -0.38 0.23 -0.13 0.00 0.37 0.00 0.00 175.52 175.61 2wb4 h ALA 38 N 1.40 0.47 -0.14 6.16 0.00 -0.84 -0.71 119.26 125.60 2wb4 h ALA 38 Ca 0.39 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2wb4 h ALA 38 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2wb4 h ALA 38 CO -0.12 0.35 -0.01 -0.07 0.00 0.00 0.00 179.25 179.40 2wb4 h LEU 39 N 0.45 -0.07 0.03 0.00 3.38 -0.94 -1.33 115.31 116.83 2wb4 h LEU 39 Ca 0.08 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2wb4 h LEU 39 Cb 0.65 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2wb4 h LEU 39 CO 0.04 -0.02 -0.19 0.00 0.09 0.00 0.00 178.44 178.36 2wb4 h ALA 40 N 1.13 -0.26 -0.88 1.53 0.00 -1.15 -1.12 119.26 118.51 2wb4 h ALA 40 Ca 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2wb4 h ALA 40 Cb 0.09 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2wb4 h ALA 40 CO -0.12 -0.69 0.56 0.52 0.00 0.00 0.00 179.25 179.51 2wb4 h MET 41 N -0.32 1.02 -0.01 0.00 2.86 -1.02 -1.16 114.93 116.30 2wb4 h MET 41 Ca 0.05 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2wb4 h MET 41 Cb 0.38 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2wb4 h MET 41 CO -0.16 0.68 0.00 0.00 1.06 0.00 0.00 176.91 178.49 2wb4 h ALA 42 N 1.38 0.01 -0.71 6.32 0.00 -0.91 0.12 119.26 125.47 2wb4 h ALA 42 Ca 0.36 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.30 2wb4 h ALA 42 Cb 0.08 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 2wb4 h ALA 42 CO -0.14 -0.37 0.22 0.00 0.00 0.00 0.00 179.25 178.96 2wb4 h ALA 43 N 0.78 0.94 0.03 0.00 0.00 -1.00 -1.61 119.26 118.41 2wb4 h ALA 43 Ca 0.00 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2wb4 h ALA 43 Cb 0.23 0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.18 2wb4 h ALA 43 CO 0.00 -0.27 -0.75 -0.09 0.00 0.00 0.00 179.25 178.14 2wb4 h ARG 44 N 0.35 0.46 0.00 0.00 2.43 -0.91 -3.39 114.38 113.33 2wb4 h ARG 44 Ca 0.39 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2wb4 h ARG 44 Cb 0.61 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2wb4 h ARG 44 CO -0.43 1.18 -1.20 -0.25 -1.51 0.00 0.00 179.97 177.76 2wb4 n ASP 45 N -4.11 0.87 -3.63 -3.80 8.00 0.38 -5.04 116.55 109.21 2wb4 n ASP 45 Ca -0.11 -0.55 -0.28 0.00 0.71 0.00 0.00 54.79 54.56 2wb4 n ASP 45 Cb 0.75 1.32 0.04 0.00 -0.02 0.00 0.00 41.12 43.20 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 -1.68 -3.14 -4.72 0.64 4.77 -0.61 -4.94 117.00 107.32 2wb4 n LEU 46 Ca 0.01 -0.93 -0.33 0.00 -0.03 0.00 0.00 56.01 54.73 2wb4 n LEU 46 Cb 0.34 -2.41 0.11 0.00 -2.33 0.00 0.00 43.42 39.13 2wb4 n LEU 46 CO 0.36 0.32 0.75 -2.16 -1.33 0.00 0.00 177.39 175.33 2wb4 s PRO 47 N -5.60 1.86 0.15 3.23 0.04 -1.26 -4.93 135.00 128.48 2wb4 s PRO 47 Ca 0.39 1.61 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 2wb4 s PRO 47 Cb -0.14 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2wb4 s PRO 47 CO 0.85 -2.02 1.42 -0.44 0.04 0.00 0.00 177.00 176.86 2wb4 h ASP 48 N -0.83 0.85 -4.61 6.66 3.32 -1.29 -3.46 116.42 117.05 2wb4 h ASP 48 Ca -0.46 -0.47 -0.18 0.00 0.02 0.00 0.00 57.03 55.94 2wb4 h ASP 48 Cb 1.28 -0.24 -0.23 0.00 0.22 0.00 0.00 39.33 40.36 2wb4 h ASP 48 CO 0.48 1.24 -0.64 -0.63 -1.72 0.00 0.00 179.24 177.97 2wb4 s ILE 49 N -4.02 0.07 -0.12 0.35 1.01 -1.07 -4.21 121.20 113.21 2wb4 s ILE 49 Ca -0.09 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2wb4 s ILE 49 Cb 0.10 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.34 2wb4 s ILE 49 CO 0.88 -0.32 -0.20 -0.63 0.00 0.00 0.00 174.94 174.66 2wb4 s ILE 50 N -1.00 1.89 -0.20 2.92 1.01 -0.86 -1.42 121.20 123.54 2wb4 s ILE 50 Ca -0.11 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 2wb4 s ILE 50 Cb -0.07 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2wb4 s ILE 50 CO -0.00 0.52 -0.00 -0.76 0.00 0.00 0.00 174.94 174.70 2wb4 s LEU 51 N 0.79 3.24 -0.07 2.97 1.43 0.11 -0.34 118.68 126.82 2wb4 s LEU 51 Ca -0.09 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2wb4 s LEU 51 Cb -0.16 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.27 2wb4 s LEU 51 CO -0.00 0.06 -0.01 -0.22 0.23 0.00 0.00 176.35 176.40 2wb4 s LEU 52 N 1.04 0.75 0.82 1.79 2.96 0.30 -1.28 118.68 125.07 2wb4 s LEU 52 Ca 0.02 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 2wb4 s LEU 52 Cb -0.14 -0.48 0.09 0.00 0.50 0.00 0.00 46.19 46.15 2wb4 s LEU 52 CO 0.02 -0.17 1.12 -0.62 -1.32 0.00 0.00 176.35 175.38 2wb4 s ASP 53 N 1.80 3.87 -0.26 3.68 2.15 -0.45 -0.72 116.67 126.75 2wb4 s ASP 53 Ca 0.03 2.02 -0.13 0.00 0.43 0.00 0.00 52.55 54.90 2wb4 s ASP 53 Cb -0.13 -2.55 -0.11 0.00 -0.30 0.00 0.00 42.92 39.84 2wb4 s ASP 53 CO -0.05 -2.47 -0.33 0.52 -0.17 0.00 0.00 175.17 172.67 2wb4 n VAL 54 N -3.69 1.42 -3.10 1.11 0.31 -1.26 -4.09 118.33 109.04 2wb4 n VAL 54 Ca 0.11 -0.34 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 2wb4 n VAL 54 Cb 0.52 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.53 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 -2.48 4.14 -0.14 5.55 -1.94 -1.26 -0.66 119.30 122.51 2wb4 s MET 55 Ca -0.36 0.59 -0.28 0.00 -1.71 0.00 0.00 55.69 53.93 2wb4 s MET 55 Cb 0.14 -3.63 0.07 0.00 2.01 0.00 0.00 34.83 33.41 2wb4 s MET 55 CO 0.45 -0.38 0.68 -1.64 -0.01 0.00 0.00 175.02 174.12 2wb4 s MET 56 N 2.40 0.95 0.53 2.03 -1.94 -1.26 -4.70 119.30 117.32 2wb4 s MET 56 Ca 0.27 0.55 -0.22 0.00 -1.71 0.00 0.00 55.69 54.59 2wb4 s MET 56 Cb -0.16 0.46 -0.05 0.00 2.01 0.00 0.00 34.83 37.09 2wb4 s MET 56 CO 0.09 -0.23 1.29 -1.25 -0.01 0.00 0.00 175.02 174.91 2wb4 s PRO 57 N -0.55 3.24 6.44 2.03 0.04 -1.26 -4.38 135.00 140.57 2wb4 s PRO 57 Ca -0.07 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2wb4 s PRO 57 Cb -0.02 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2wb4 s PRO 57 CO 0.06 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.45 2wb4 n GLY 58 N 0.65 1.24 3.69 0.56 0.00 -1.26 -4.75 105.19 105.32 2wb4 n GLY 58 Ca 0.10 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 0.61 1.61 -2.45 -1.26 -5.01 119.30 116.93 2wb4 s MET 59 Ca 0.00 2.60 0.02 0.00 -1.25 0.00 0.00 55.69 57.06 2wb4 s MET 59 Cb 0.00 -3.66 0.07 0.00 1.25 0.00 0.00 34.83 32.49 2wb4 s MET 59 CO 0.00 -0.86 0.84 0.16 1.05 0.00 0.00 175.02 176.21 2wb4 s ASP 60 N 2.93 4.94 0.43 1.11 1.47 -1.26 -4.42 116.67 121.86 2wb4 s ASP 60 Ca 0.82 -0.27 0.12 0.00 1.18 0.00 0.00 52.55 54.40 2wb4 s ASP 60 Cb -0.46 -0.40 0.92 0.00 -0.34 0.00 0.00 42.92 42.65 2wb4 s ASP 60 CO 0.37 -1.41 1.98 1.23 0.68 0.00 0.00 175.17 178.02 2wb4 h GLY 61 N -0.10 0.14 1.52 2.12 0.00 -1.04 -1.68 103.07 104.03 2wb4 h GLY 61 Ca -0.38 -0.08 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 2wb4 h GLY 61 CO 0.46 0.07 -0.39 0.74 0.00 0.00 0.00 176.54 177.42 2wb4 h PHE 62 N 0.13 0.62 -0.11 5.60 0.04 -1.88 -0.35 116.94 120.99 2wb4 h PHE 62 Ca 0.03 -0.18 -0.13 0.00 2.80 0.00 0.00 57.97 60.49 2wb4 h PHE 62 Cb 0.30 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.32 2wb4 h PHE 62 CO 0.00 0.84 -0.44 1.15 -0.60 0.00 0.00 178.31 179.26 2wb4 h THR 63 N 0.44 1.37 -0.46 -1.55 2.02 -1.88 -1.64 112.91 111.22 2wb4 h THR 63 Ca 0.04 -1.76 0.06 0.00 0.77 0.00 0.00 66.41 65.52 2wb4 h THR 63 Cb 0.87 2.16 -0.05 0.00 -1.74 0.00 0.00 68.15 69.39 2wb4 h THR 63 CO 0.07 0.53 0.15 0.58 0.37 0.00 0.00 175.52 177.23 2wb4 h VAL 64 N 0.09 0.84 -0.10 3.16 2.07 -1.19 -0.24 116.25 120.88 2wb4 h VAL 64 Ca -0.02 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 2wb4 h VAL 64 Cb 1.08 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2wb4 h VAL 64 CO 0.09 0.06 -0.40 0.00 0.02 0.00 0.00 177.57 177.34 2wb4 h ARG 66 N 0.18 0.34 -0.40 0.00 3.08 -0.65 -2.91 114.38 114.02 2wb4 h ARG 66 Ca 0.02 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2wb4 h ARG 66 Cb 0.80 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 2wb4 h ARG 66 CO 0.06 0.52 0.11 0.87 -1.07 0.00 0.00 179.97 180.47 2wb4 h LYS 67 N 0.12 0.59 -0.52 0.04 1.57 -0.66 -1.00 116.57 116.71 2wb4 h LYS 67 Ca 0.06 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2wb4 h LYS 67 Cb 0.35 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2wb4 h LYS 67 CO 0.01 0.53 0.11 -0.07 -0.57 0.00 0.00 179.45 179.46 2wb4 h LEU 68 N 0.58 0.74 0.00 2.94 3.38 -1.03 -2.81 115.31 119.11 2wb4 h LEU 68 Ca 0.14 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2wb4 h LEU 68 Cb 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2wb4 h LEU 68 CO -0.01 0.74 -1.01 0.11 0.09 0.00 0.00 178.44 178.36 2wb4 h LYS 69 N 0.76 0.00 0.00 1.13 1.79 -1.24 -2.77 116.57 116.24 2wb4 h LYS 69 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2wb4 h LYS 69 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2wb4 h LYS 69 CO 0.00 0.72 0.00 -0.25 -1.08 0.00 0.00 179.45 178.84 2wb4 n ASP 70 N -3.23 0.00 -4.53 0.86 8.00 -0.43 -4.61 116.55 112.61 2wb4 n ASP 70 Ca -0.03 -0.50 -0.35 0.00 0.71 0.00 0.00 54.79 54.61 2wb4 n ASP 70 Cb 0.89 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 41.71 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 -2.33 5.30 0.46 -2.24 2.15 -1.08 -5.01 116.67 113.92 2wb4 s ASP 71 Ca 0.37 -0.07 0.17 0.00 0.43 0.00 0.00 52.55 53.45 2wb4 s ASP 71 Cb 0.21 -1.92 1.14 0.00 -0.30 0.00 0.00 42.92 42.05 2wb4 s ASP 71 CO 0.42 0.08 1.98 1.55 -0.17 0.00 0.00 175.17 179.04 2wb4 h PRO 72 N 7.36 0.28 -0.69 4.34 0.13 -1.88 -0.14 132.00 141.40 2wb4 h PRO 72 Ca -0.36 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 2wb4 h PRO 72 Cb 1.18 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2wb4 h PRO 72 CO 0.63 0.18 0.12 1.15 -0.23 0.00 0.00 178.00 179.86 2wb4 h THR 73 N 0.28 1.26 0.00 1.56 2.02 -1.95 -3.30 112.91 112.79 2wb4 h THR 73 Ca 0.27 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2wb4 h THR 73 Cb 0.70 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2wb4 h THR 73 CO -0.06 0.39 -1.52 0.35 0.37 0.00 0.00 175.52 175.05 2wb4 n THR 74 N -4.21 0.00 -0.34 3.16 -2.24 -0.96 -4.58 114.28 105.10 2wb4 n THR 74 Ca 0.05 -0.30 0.28 0.00 -2.27 0.00 0.00 64.05 61.80 2wb4 n THR 74 Cb 0.29 0.40 0.53 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.20 0.00 -0.78 2.43 -0.73 0.20 114.38 115.70 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 0.72 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2wb4 h ARG 75 CO 0.00 0.13 0.00 -2.39 -1.51 0.00 0.00 179.97 176.20 2wb4 n HIS 76 N -5.07 0.28 -2.72 2.20 1.44 -1.26 -4.82 115.22 105.27 2wb4 n HIS 76 Ca 0.34 0.09 -0.43 0.00 -2.01 0.00 0.00 57.72 55.72 2wb4 n HIS 76 Cb 1.12 -0.65 -0.03 0.00 0.12 0.00 0.00 29.99 30.55 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 -3.06 4.74 0.20 0.61 1.01 0.70 -4.99 121.20 120.41 2wb4 s ILE 77 Ca 0.10 1.94 -0.31 0.00 0.00 0.00 0.00 60.65 62.38 2wb4 s ILE 77 Cb 0.14 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 2wb4 s ILE 77 CO 0.46 -0.11 1.54 -2.84 0.00 0.00 0.00 174.94 173.99 2wb4 s PRO 78 N 2.80 4.22 -0.09 2.79 0.02 -1.26 -4.89 135.00 138.58 2wb4 s PRO 78 Ca 0.43 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.83 2wb4 s PRO 78 Cb -0.16 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 2wb4 s PRO 78 CO 0.09 -0.56 -0.08 0.08 -0.33 0.00 0.00 177.00 176.20 2wb4 s VAL 79 N 0.69 3.54 -0.19 3.83 1.01 -1.26 -2.03 120.40 125.99 2wb4 s VAL 79 Ca 0.66 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2wb4 s VAL 79 Cb -0.44 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.49 2wb4 s VAL 79 CO 0.36 0.56 -0.17 -0.69 0.00 0.00 0.00 175.10 175.16 2wb4 s VAL 80 N -0.34 2.28 0.03 2.92 1.01 0.54 -0.50 120.40 126.34 2wb4 s VAL 80 Ca 0.05 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.91 2wb4 s VAL 80 Cb -0.12 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 2wb4 s VAL 80 CO 0.02 0.52 0.78 -0.76 0.00 0.00 0.00 175.10 175.67 2wb4 s LEU 81 N 1.31 4.43 -0.15 3.92 1.43 -0.61 -0.54 118.68 128.47 2wb4 s LEU 81 Ca 0.05 1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 2wb4 s LEU 81 Cb -0.13 -3.26 0.04 0.00 0.03 0.00 0.00 46.19 42.87 2wb4 s LEU 81 CO -0.11 -0.03 -0.03 -0.63 0.23 0.00 0.00 176.35 175.78 2wb4 s ILE 82 N 0.14 0.92 0.00 -0.59 1.01 0.11 -0.60 121.20 122.18 2wb4 s ILE 82 Ca 0.40 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 2wb4 s ILE 82 Cb -0.20 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2wb4 s ILE 82 CO 0.23 0.11 0.32 0.28 0.00 0.00 0.00 174.94 175.89 2wb4 s THR 83 N 1.72 0.06 0.19 2.92 -1.32 -0.81 -3.83 115.64 114.57 2wb4 s THR 83 Ca 0.01 -0.52 0.23 0.00 -1.21 0.00 0.00 61.69 60.20 2wb4 s THR 83 Cb -0.15 -0.74 0.21 0.00 -1.51 0.00 0.00 72.50 70.32 2wb4 s THR 83 CO -0.07 -0.29 1.83 0.00 -2.21 0.00 0.00 174.62 173.88 2wb4 h ALA 84 N 3.61 1.06 -2.87 11.08 0.00 -1.88 0.19 119.26 130.44 2wb4 h ALA 84 Ca -0.30 -0.23 -0.53 0.00 0.00 0.00 0.00 54.91 53.84 2wb4 h ALA 84 Cb 1.18 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 19.03 2wb4 h ALA 84 CO 0.42 0.32 0.84 -0.51 0.00 0.00 0.00 179.25 180.31 2wb4 s LEU 85 N -6.95 4.33 0.00 0.00 2.01 -1.26 -4.68 118.68 112.12 2wb4 s LEU 85 Ca -0.00 3.01 0.00 0.00 0.01 0.00 0.00 54.13 57.15 2wb4 s LEU 85 Cb 0.11 -3.65 0.00 0.00 0.01 0.00 0.00 46.19 42.66 2wb4 s LEU 85 CO 0.64 -0.90 0.02 -0.90 1.01 0.00 0.00 176.35 176.23 2wb4 n ASP 86 N 1.33 0.05 -4.72 2.29 5.75 -1.26 -4.72 116.55 115.27 2wb4 n ASP 86 Ca 0.05 -0.42 -0.40 0.00 -0.01 0.00 0.00 54.79 54.02 2wb4 n ASP 86 Cb 0.38 0.70 0.03 0.00 -1.03 0.00 0.00 41.12 41.20 2wb4 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wb4 n GLY 87 N 0.70 0.63 0.26 6.12 0.00 -1.26 -4.88 105.19 106.76 2wb4 n GLY 87 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 1.72 0.89 -0.56 1.61 2.43 -1.99 -2.38 114.38 116.09 2wb4 h ARG 88 Ca -0.50 -0.28 0.11 0.00 -0.81 0.00 0.00 59.98 58.50 2wb4 h ARG 88 Cb 1.30 -0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.66 2wb4 h ARG 88 CO 0.58 0.92 -0.16 0.78 -1.51 0.00 0.00 179.97 180.58 2wb4 h GLY 89 N 0.75 0.35 1.25 2.80 0.00 -2.00 -1.14 103.07 105.09 2wb4 h GLY 89 Ca 0.14 0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.60 2wb4 h GLY 89 CO 0.03 -0.22 -0.02 -0.55 0.00 0.00 0.00 176.54 175.77 2wb4 h ASP 90 N -0.03 0.88 -0.56 0.19 3.32 -1.91 -1.41 116.42 116.91 2wb4 h ASP 90 Ca 0.27 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2wb4 h ASP 90 Cb 0.44 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2wb4 h ASP 90 CO -0.59 0.95 0.34 -0.09 -1.72 0.00 0.00 179.24 178.13 2wb4 h ARG 91 N 0.83 0.76 -0.30 3.56 2.43 -0.85 -1.60 114.38 119.21 2wb4 h ARG 91 Ca 0.15 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 2wb4 h ARG 91 Cb 0.53 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2wb4 h ARG 91 CO 0.03 0.55 -0.42 0.82 -1.51 0.00 0.00 179.97 179.44 2wb4 h ILE 92 N 0.75 1.29 -0.68 1.20 2.04 -0.99 -2.33 117.51 118.79 2wb4 h ILE 92 Ca 0.20 -1.60 0.04 0.00 1.00 0.00 0.00 64.86 64.49 2wb4 h ILE 92 Cb -0.02 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2wb4 h ILE 92 CO -0.04 0.52 0.45 -0.61 0.00 0.00 0.00 178.15 178.47 2wb4 h GLN 93 N 0.57 0.78 0.41 2.37 4.15 -1.14 -0.83 115.11 121.42 2wb4 h GLN 93 Ca 0.03 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2wb4 h GLN 93 Cb 1.01 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.53 2wb4 h GLN 93 CO 0.10 0.52 -0.20 0.78 -1.93 0.00 0.00 178.83 178.10 2wb4 h GLY 94 N 0.81 -0.58 1.82 2.39 0.00 -1.04 -2.39 103.07 104.08 2wb4 h GLY 94 Ca 0.27 0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.71 2wb4 h GLY 94 CO -0.08 -0.21 -0.41 1.41 0.00 0.00 0.00 176.54 177.25 2wb4 h LEU 95 N -0.70 0.21 -1.21 3.11 3.38 -1.24 -2.37 115.31 116.48 2wb4 h LEU 95 Ca -0.06 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2wb4 h LEU 95 Cb 0.50 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2wb4 h LEU 95 CO 0.09 0.60 -0.37 -0.33 0.09 0.00 0.00 178.44 178.52 2wb4 h GLU 96 N 0.17 0.00 -0.17 1.13 5.08 -1.17 -2.51 114.58 117.10 2wb4 h GLU 96 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2wb4 h GLU 96 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2wb4 h GLU 96 CO 0.06 0.37 0.00 -1.13 -1.00 0.00 0.00 179.01 177.32 2wb4 n SER 97 N -3.90 1.31 0.00 1.42 3.41 -0.90 -4.89 113.62 110.07 2wb4 n SER 97 Ca -0.01 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 2wb4 n SER 97 Cb 0.43 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.01 1.18 3.77 5.00 0.00 -0.95 -4.22 105.19 110.98 2wb4 n GLY 98 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 3.27 0.20 4.61 0.00 -1.17 -4.76 121.76 121.92 2wb4 s ALA 99 Ca 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 2wb4 s ALA 99 Cb 0.00 -3.25 0.15 0.00 0.00 0.00 0.00 23.12 20.02 2wb4 s ALA 99 CO 0.00 0.00 1.53 0.77 0.00 0.00 0.00 175.76 178.07 2wb4 h SER 100 N 3.47 0.58 -5.15 0.00 0.02 -1.16 -3.43 113.55 107.88 2wb4 h SER 100 Ca -0.47 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.14 2wb4 h SER 100 Cb 1.20 -0.17 -0.10 0.00 0.14 0.00 0.00 62.40 63.48 2wb4 h SER 100 CO 0.66 0.99 -0.07 -0.62 -1.14 0.00 0.00 176.83 176.65 2wb4 s ASP 101 N -6.90 -0.16 -0.19 3.07 -1.08 -1.21 -5.05 116.67 105.15 2wb4 s ASP 101 Ca -0.07 -0.65 -0.04 0.00 -0.52 0.00 0.00 52.55 51.27 2wb4 s ASP 101 Cb 0.12 0.55 0.06 0.00 -1.46 0.00 0.00 42.92 42.19 2wb4 s ASP 101 CO 0.83 -1.04 0.07 0.12 0.52 0.00 0.00 175.17 175.67 2wb4 s PHE 102 N -3.92 0.58 -0.12 -5.34 2.19 -1.26 -1.57 117.98 108.54 2wb4 s PHE 102 Ca 0.13 -0.59 -0.00 0.00 0.33 0.00 0.00 56.93 56.80 2wb4 s PHE 102 Cb -0.00 -0.86 -0.02 0.00 -1.31 0.00 0.00 43.02 40.83 2wb4 s PHE 102 CO -0.00 -0.57 -0.10 -0.51 1.83 0.00 0.00 175.22 175.87 2wb4 s LEU 103 N 2.01 2.91 -0.18 6.12 1.43 0.23 -5.00 118.68 126.19 2wb4 s LEU 103 Ca 0.01 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 2wb4 s LEU 103 Cb -0.16 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2wb4 s LEU 103 CO -0.10 0.22 0.27 -0.89 0.23 0.00 0.00 176.35 176.08 2wb4 s THR 104 N 0.05 5.31 0.45 5.49 2.01 -1.26 -1.92 115.64 125.77 2wb4 s THR 104 Ca -0.03 0.48 -0.24 0.00 0.31 0.00 0.00 61.69 62.21 2wb4 s THR 104 Cb -0.14 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 2wb4 s THR 104 CO 0.04 0.36 1.23 -0.54 -0.69 0.00 0.00 174.62 175.03 2wb4 s LYS 105 N 0.69 3.77 0.06 4.92 1.02 0.66 -4.01 119.74 126.84 2wb4 s LYS 105 Ca 0.15 1.96 -0.21 0.00 0.02 0.00 0.00 55.97 57.89 2wb4 s LYS 105 Cb -0.13 -2.53 -0.06 0.00 -0.52 0.00 0.00 37.83 34.59 2wb4 s LYS 105 CO 0.04 -0.60 0.62 -1.25 -0.92 0.00 0.00 175.35 173.24 2wb4 s PRO 106 N -2.53 4.31 0.48 -1.68 0.04 -1.26 -4.85 135.00 129.51 2wb4 s PRO 106 Ca 0.62 0.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.29 2wb4 s PRO 106 Cb -0.33 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 30.83 2wb4 s PRO 106 CO 0.41 0.51 0.98 0.96 0.04 0.00 0.00 177.00 179.90 2wb4 s ILE 107 N -0.71 4.41 -0.36 0.56 -4.36 -1.26 -5.00 121.20 114.48 2wb4 s ILE 107 Ca 0.31 1.30 -0.29 0.00 -0.26 0.00 0.00 60.65 61.71 2wb4 s ILE 107 Cb -0.20 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.89 2wb4 s ILE 107 CO 0.20 -0.52 1.13 -0.62 0.24 0.00 0.00 174.94 175.37 2wb4 s ASP 108 N -2.66 6.80 0.15 4.36 -1.08 -1.26 -4.95 116.67 118.02 2wb4 s ASP 108 Ca 0.61 0.91 -0.17 0.00 -0.52 0.00 0.00 52.55 53.38 2wb4 s ASP 108 Cb -0.10 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2wb4 s ASP 108 CO 0.24 -1.03 1.80 0.44 0.52 0.00 0.00 175.17 177.14 2wb4 h ASP 109 N 8.63 0.44 -0.92 -0.34 3.32 -1.99 -1.48 116.42 124.08 2wb4 h ASP 109 Ca -0.22 -0.03 0.12 0.00 0.02 0.00 0.00 57.03 56.92 2wb4 h ASP 109 Cb 1.07 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.43 2wb4 h ASP 109 CO 1.06 0.34 0.59 0.58 -1.72 0.00 0.00 179.24 180.09 2wb4 h VAL 110 N 0.51 0.90 -0.05 -1.35 2.07 -2.00 -0.94 116.25 115.39 2wb4 h VAL 110 Ca 0.14 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2wb4 h VAL 110 Cb -0.04 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.73 2wb4 h VAL 110 CO -0.03 0.15 -0.36 -0.03 0.02 0.00 0.00 177.57 177.33 2wb4 h MET 111 N 0.84 0.32 -0.34 1.57 -1.53 -1.88 -2.45 114.93 111.47 2wb4 h MET 111 Ca 0.45 -0.29 0.06 0.00 -3.44 0.00 0.00 59.70 56.48 2wb4 h MET 111 Cb 0.55 0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 31.61 2wb4 h MET 111 CO -0.21 0.95 -0.02 1.25 0.14 0.00 0.00 176.91 179.02 2wb4 h LEU 112 N -0.20 -0.18 -0.72 3.39 5.85 -0.36 -0.10 115.31 122.98 2wb4 h LEU 112 Ca -0.03 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2wb4 h LEU 112 Cb 1.04 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2wb4 h LEU 112 CO 0.07 -0.05 0.02 -0.26 -0.34 0.00 0.00 178.44 177.88 2wb4 h PHE 113 N 0.07 1.07 -0.72 1.25 0.04 -1.25 0.23 116.94 117.64 2wb4 h PHE 113 Ca 0.17 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.77 2wb4 h PHE 113 Cb 0.24 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 2wb4 h PHE 113 CO -0.26 0.95 0.47 0.00 -0.60 0.00 0.00 178.31 178.87 2wb4 h ALA 114 N 1.09 0.91 -0.28 2.45 0.00 -0.97 -0.62 119.26 121.85 2wb4 h ALA 114 Ca 0.17 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2wb4 h ALA 114 Cb 0.51 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wb4 h ALA 114 CO 0.02 0.34 -0.17 -0.09 0.00 0.00 0.00 179.25 179.36 2wb4 h ARG 115 N 0.98 0.61 -0.88 0.00 9.65 -0.40 -1.02 114.38 123.32 2wb4 h ARG 115 Ca 0.26 -0.28 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 2wb4 h ARG 115 Cb -0.10 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 2wb4 h ARG 115 CO -0.06 0.86 0.48 0.28 2.80 0.00 0.00 179.97 184.34 2wb4 h VAL 116 N 0.35 1.26 -0.25 0.20 2.07 -0.30 -1.56 116.25 118.01 2wb4 h VAL 116 Ca 0.06 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.85 2wb4 h VAL 116 Cb 0.70 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2wb4 h VAL 116 CO 0.05 0.29 -0.24 0.03 0.02 0.00 0.00 177.57 177.71 2wb4 h ARG 117 N 1.23 0.48 -0.19 1.57 3.08 -0.93 -1.58 114.38 118.03 2wb4 h ARG 117 Ca 0.31 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2wb4 h ARG 117 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2wb4 h ARG 117 CO -0.05 0.69 0.03 1.03 -1.07 0.00 0.00 179.97 180.60 2wb4 h SER 118 N 0.43 0.31 -0.41 7.04 0.87 -0.65 -2.24 113.55 118.90 2wb4 h SER 118 Ca 0.06 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.27 2wb4 h SER 118 Cb 0.65 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2wb4 h SER 118 CO 0.05 0.50 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.71 2wb4 h LEU 119 N 0.11 0.83 -1.07 2.23 3.38 -1.06 -2.54 115.31 117.20 2wb4 h LEU 119 Ca 0.06 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 2wb4 h LEU 119 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2wb4 h LEU 119 CO 0.00 0.94 -0.41 0.71 0.09 0.00 0.00 178.44 179.77 2wb4 h THR 120 N 0.77 1.09 -0.05 0.22 1.35 -1.25 -1.90 112.91 113.14 2wb4 h THR 120 Ca 0.14 -1.51 -0.12 0.00 -0.55 0.00 0.00 66.41 64.36 2wb4 h THR 120 Cb 0.56 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 2wb4 h THR 120 CO 0.03 0.40 -0.52 -0.09 -0.25 0.00 0.00 175.52 175.10 2wb4 h ARG 121 N 0.00 0.14 0.02 4.72 2.43 -0.98 -2.86 114.38 117.85 2wb4 h ARG 121 Ca -0.00 -0.08 -0.25 0.00 -0.81 0.00 0.00 59.98 58.83 2wb4 h ARG 121 Cb 0.83 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 2wb4 h ARG 121 CO 0.05 0.63 -1.30 0.74 -1.51 0.00 0.00 179.97 178.58 2wb4 h PHE 122 N 0.11 0.09 0.00 2.20 0.04 -1.38 -3.29 116.94 114.72 2wb4 h PHE 122 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2wb4 h PHE 122 Cb 0.95 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.10 2wb4 h PHE 122 CO 0.01 1.07 0.00 -0.22 -0.60 0.00 0.00 178.31 178.57 2wb4 h LYS 123 N 0.01 0.00 0.20 1.51 3.64 -1.20 -2.76 116.57 117.97 2wb4 h LYS 123 Ca -0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2wb4 h LYS 123 Cb 1.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 2wb4 h LYS 123 CO 0.12 0.00 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.14 2wb4 h LEU 124 N 0.00 -0.23 -0.24 5.20 3.38 -1.58 -2.29 115.31 119.56 2wb4 h LEU 124 Ca 0.00 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2wb4 h LEU 124 Cb 0.43 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2wb4 h LEU 124 CO 0.00 -0.06 -0.30 0.58 0.09 0.00 0.00 178.44 178.74 2wb4 h VAL 125 N -0.38 1.32 -0.55 1.22 2.07 -1.69 -2.87 116.25 115.37 2wb4 h VAL 125 Ca -0.03 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2wb4 h VAL 125 Cb 0.29 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2wb4 h VAL 125 CO 0.05 0.47 0.36 0.40 0.02 0.00 0.00 177.57 178.86 2wb4 h ILE 126 N 0.33 1.15 -0.19 4.57 2.04 -1.64 -2.79 117.51 120.98 2wb4 h ILE 126 Ca 0.03 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 2wb4 h ILE 126 Cb 0.88 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2wb4 h ILE 126 CO 0.07 0.14 -0.22 0.44 0.00 0.00 0.00 178.15 178.59 2wb4 h ASP 127 N 0.74 0.33 0.50 1.72 5.19 -1.30 -2.05 116.42 121.56 2wb4 h ASP 127 Ca 0.20 -0.09 -0.17 0.00 -0.62 0.00 0.00 57.03 56.35 2wb4 h ASP 127 Cb -0.07 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 2wb4 h ASP 127 CO -0.04 0.55 -0.73 -0.08 -3.12 0.00 0.00 179.24 175.82 2wb4 h GLU 128 N 0.30 0.18 -0.44 3.56 4.57 -1.42 -2.49 114.58 118.83 2wb4 h GLU 128 Ca 0.05 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 2wb4 h GLU 128 Cb 0.55 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2wb4 h GLU 128 CO 0.04 0.83 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.51 2wb4 h LEU 129 N 0.12 0.81 -1.19 1.64 3.38 -1.17 -1.59 115.31 117.31 2wb4 h LEU 129 Ca -0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2wb4 h LEU 129 Cb 1.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2wb4 h LEU 129 CO 0.11 0.95 -0.25 0.03 0.09 0.00 0.00 178.44 179.37 2wb4 h ARG 130 N 0.73 0.00 0.03 1.13 3.08 -1.24 -1.32 114.38 116.79 2wb4 h ARG 130 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2wb4 h ARG 130 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wb4 h ARG 130 CO 0.04 0.25 -0.01 0.37 -1.07 0.00 0.00 179.97 179.55 2wb4 h GLN 131 N 0.00 -0.04 -0.84 0.04 4.15 -1.33 -2.28 115.11 114.81 2wb4 h GLN 131 Ca -0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 2wb4 h GLN 131 Cb 0.72 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.35 2wb4 h GLN 131 CO 0.03 0.60 0.49 0.00 -1.93 0.00 0.00 178.83 178.02 2wb4 h ARG 132 N -0.74 0.79 -0.17 1.69 2.47 -0.96 -2.20 114.38 115.25 2wb4 h ARG 132 Ca -0.00 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2wb4 h ARG 132 Cb 0.66 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 2wb4 h ARG 132 CO 0.01 0.52 0.01 1.49 0.56 0.00 0.00 179.97 182.56 2wb4 h GLU 133 N 0.81 0.28 -1.00 0.04 4.22 -1.35 -2.72 114.58 114.86 2wb4 h GLU 133 Ca 0.41 -0.08 0.29 0.00 0.08 0.00 0.00 59.36 60.05 2wb4 h GLU 133 Cb 0.38 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2wb4 h GLU 133 CO -0.25 0.48 1.01 0.00 -2.18 0.00 0.00 179.01 178.07 2wb4 h ALA 134 N 0.79 2.87 -1.13 2.92 0.00 -0.80 -2.94 119.26 120.98 2wb4 h ALA 134 Ca 0.05 -0.03 -0.75 0.00 0.00 0.00 0.00 54.91 54.17 2wb4 h ALA 134 Cb 0.34 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.05 2wb4 h ALA 134 CO 0.01 -1.53 1.82 0.43 0.00 0.00 0.00 179.25 179.98 2wb4 n SER 135 N -3.52 5.15 0.00 0.00 7.64 -1.01 -5.07 113.62 116.81 2wb4 n SER 135 Ca 0.22 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 57.02 2wb4 n SER 135 Cb 1.33 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2wb4 n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wb4 n GLY 136 N 3.10 -0.74 0.00 0.23 0.00 -1.11 -5.04 105.19 101.63 2wb4 n GLY 136 Ca 0.39 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2wb4 n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wb4 n LEU 149 N 0.00 0.00 -4.39 0.99 4.77 -1.26 -5.04 117.00 112.07 2wb4 n LEU 149 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2wb4 n LEU 149 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2wb4 n LEU 149 CO 0.00 0.00 -0.41 -0.62 -1.33 0.00 0.00 177.39 175.03 2wb4 s ASP 150 N 0.00 2.70 0.00 -1.43 2.15 -1.26 -5.04 116.67 113.79 2wb4 s ASP 150 Ca 0.00 -1.10 0.08 0.00 0.43 0.00 0.00 52.55 51.96 2wb4 s ASP 150 Cb 0.00 -0.16 0.21 0.00 -0.30 0.00 0.00 42.92 42.67 2wb4 s ASP 150 CO 0.00 -0.24 1.14 0.61 -0.17 0.00 0.00 175.17 176.51 2wb4 n GLY 151 N -0.49 2.46 3.95 2.66 0.00 -1.26 -4.41 105.19 108.10 2wb4 n GLY 151 Ca -0.07 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.97 3.58 0.00 0.99 1.43 -1.26 -4.51 118.68 117.95 2wb4 s LEU 152 Ca 0.16 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2wb4 s LEU 152 Cb 0.09 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 43.09 2wb4 s LEU 152 CO 0.11 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.55 2wb4 n GLY 153 N -2.15 -1.47 0.00 -3.19 0.00 0.21 -5.03 105.19 93.55 2wb4 n GLY 153 Ca 0.02 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.10 3.80 -0.02 0.00 -1.26 -4.62 105.19 100.98 2wb4 n GLY 154 Ca 0.00 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 2wb4 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wb4 s ARG 155 N -4.76 3.85 -0.19 1.61 0.52 -1.26 -2.42 118.95 116.30 2wb4 s ARG 155 Ca 0.00 -0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.02 2wb4 s ARG 155 Cb 0.00 -3.31 0.05 0.00 0.52 0.00 0.00 34.95 32.21 2wb4 s ARG 155 CO 0.00 0.51 -0.03 0.08 0.02 0.00 0.00 175.30 175.89 2wb4 s VAL 156 N -0.26 1.06 0.12 3.52 1.01 -0.91 -1.63 120.40 123.31 2wb4 s VAL 156 Ca 0.11 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 2wb4 s VAL 156 Cb -0.11 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 2wb4 s VAL 156 CO 0.01 -0.02 0.66 -0.22 0.00 0.00 0.00 175.10 175.53 2wb4 s LEU 157 N 1.63 4.53 -0.24 3.92 2.96 -0.75 -0.69 118.68 130.03 2wb4 s LEU 157 Ca -0.01 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 2wb4 s LEU 157 Cb -0.17 -3.12 0.06 0.00 0.50 0.00 0.00 46.19 43.46 2wb4 s LEU 157 CO -0.07 0.22 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.45 2wb4 s ILE 158 N -1.18 1.93 -0.90 6.68 1.01 0.76 -1.10 121.20 128.40 2wb4 s ILE 158 Ca 0.33 -1.41 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 2wb4 s ILE 158 Cb -0.20 -2.06 0.23 0.00 0.01 0.00 0.00 42.46 40.44 2wb4 s ILE 158 CO 0.22 0.01 0.81 -0.69 0.00 0.00 0.00 174.94 175.29 2wb4 s VAL 159 N 1.23 4.85 0.00 2.92 1.01 -0.26 -0.93 120.40 129.21 2wb4 s VAL 159 Ca -0.06 -3.45 0.02 0.00 0.00 0.00 0.00 61.98 58.48 2wb4 s VAL 159 Cb -0.19 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2wb4 s VAL 159 CO -0.06 -1.08 -0.05 -0.62 0.00 0.00 0.00 175.10 173.29 2wb4 s ASP 160 N 0.64 0.62 0.00 3.32 2.15 -1.24 -2.47 116.67 119.68 2wb4 s ASP 160 Ca 0.26 -0.14 0.22 0.00 0.43 0.00 0.00 52.55 53.32 2wb4 s ASP 160 Cb -0.10 -0.06 0.49 0.00 -0.30 0.00 0.00 42.92 42.95 2wb4 s ASP 160 CO -0.10 0.04 1.43 -0.90 -0.17 0.00 0.00 175.17 175.47 2wb4 n ASP 161 N 2.81 3.58 -4.41 -0.34 5.75 -1.26 -4.41 116.55 118.27 2wb4 n ASP 161 Ca -0.14 -1.98 -0.44 0.00 -0.01 0.00 0.00 54.79 52.22 2wb4 n ASP 161 Cb 0.58 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 2wb4 n ASP 161 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2wb4 s ASN 162 N -1.25 6.43 0.13 -1.12 3.84 -1.26 -4.96 114.94 116.75 2wb4 s ASN 162 Ca 0.41 -1.77 -0.33 0.00 0.21 0.00 0.00 52.86 51.38 2wb4 s ASN 162 Cb 0.23 -2.34 -0.11 0.00 -0.55 0.00 0.00 41.25 38.47 2wb4 s ASN 162 CO 0.31 -1.07 1.56 -0.08 -2.79 0.00 0.00 177.10 175.02 2wb4 h GLU 163 N 8.92 -0.49 -0.19 0.43 4.57 -1.98 0.11 114.58 125.95 2wb4 h GLU 163 Ca -0.07 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2wb4 h GLU 163 Cb 1.05 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 2wb4 h GLU 163 CO 1.07 -0.33 -0.03 -0.09 -1.18 0.00 0.00 179.01 178.45 2wb4 h ARG 164 N -0.51 0.02 -0.45 1.92 2.43 -1.99 -0.95 114.38 114.84 2wb4 h ARG 164 Ca 0.05 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 2wb4 h ARG 164 Cb 0.65 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2wb4 h ARG 164 CO -0.49 0.01 -0.15 0.37 -1.51 0.00 0.00 179.97 178.20 2wb4 h GLN 165 N 0.02 0.86 -0.67 0.20 4.15 -1.94 -2.04 115.11 115.68 2wb4 h GLN 165 Ca 0.09 -0.32 0.11 0.00 0.77 0.00 0.00 58.65 59.30 2wb4 h GLN 165 Cb 0.13 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 2wb4 h GLN 165 CO -0.18 0.95 0.45 0.00 -1.93 0.00 0.00 178.83 178.12 2wb4 h ALA 166 N 1.06 2.00 -0.01 3.38 0.00 -0.24 -2.70 119.26 122.76 2wb4 h ALA 166 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2wb4 h ALA 166 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2wb4 h ALA 166 CO 0.05 -0.15 -0.88 1.96 0.00 0.00 0.00 179.25 180.23 2wb4 h GLN 167 N 0.47 0.28 -0.16 0.00 1.08 -0.46 -2.24 115.11 114.07 2wb4 h GLN 167 Ca 0.31 -0.29 -0.22 0.00 -1.45 0.00 0.00 58.65 57.01 2wb4 h GLN 167 Cb 0.60 0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.12 2wb4 h GLN 167 CO -0.10 0.99 -0.75 0.00 -0.95 0.00 0.00 178.83 178.02 2wb4 h ARG 168 N 0.16 0.79 -0.61 1.46 3.08 -1.29 0.37 114.38 118.33 2wb4 h ARG 168 Ca -0.05 -0.64 0.03 0.00 0.07 0.00 0.00 59.98 59.39 2wb4 h ARG 168 Cb 1.50 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.64 2wb4 h ARG 168 CO 0.14 1.25 0.37 0.28 -1.07 0.00 0.00 179.97 180.94 2wb4 h VAL 169 N 0.53 1.07 -0.35 2.04 2.07 -1.54 0.11 116.25 120.18 2wb4 h VAL 169 Ca -0.05 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 2wb4 h VAL 169 Cb 1.38 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2wb4 h VAL 169 CO 0.16 0.13 -0.28 0.00 0.02 0.00 0.00 177.57 177.60 2wb4 h ALA 170 N 1.27 0.85 -0.04 1.67 0.00 -1.14 -1.64 119.26 120.23 2wb4 h ALA 170 Ca 0.25 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wb4 h ALA 170 Cb 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wb4 h ALA 170 CO -0.11 0.64 0.02 0.00 0.00 0.00 0.00 179.25 179.80 2wb4 h ALA 171 N 1.06 0.05 0.33 0.00 0.00 0.10 -1.75 119.26 119.04 2wb4 h ALA 171 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2wb4 h ALA 171 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2wb4 h ALA 171 CO 0.07 -0.39 -0.16 1.49 0.00 0.00 0.00 179.25 180.25 2wb4 h GLU 172 N -0.05 -0.43 -0.36 0.00 4.57 -0.66 -2.83 114.58 114.82 2wb4 h GLU 172 Ca 0.01 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2wb4 h GLU 172 Cb 0.11 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2wb4 h GLU 172 CO -0.00 -0.17 0.24 -0.07 -1.18 0.00 0.00 179.01 177.83 2wb4 h LEU 173 N -0.62 0.35 -1.99 1.64 3.38 -1.38 -3.17 115.31 113.52 2wb4 h LEU 173 Ca -0.05 -0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.16 2wb4 h LEU 173 Cb 0.45 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2wb4 h LEU 173 CO 0.07 0.25 0.62 1.23 0.09 0.00 0.00 178.44 180.71 2wb4 h GLY 174 N 0.41 0.00 0.94 0.83 0.00 -1.05 -0.44 103.07 103.77 2wb4 h GLY 174 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 2wb4 h GLY 174 CO -0.03 0.00 0.01 -2.08 0.00 0.00 0.00 176.54 174.43 2wb4 h VAL 175 N 0.00 1.26 -0.00 4.60 2.07 -1.68 -3.34 116.25 119.15 2wb4 h VAL 175 Ca 0.40 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2wb4 h VAL 175 Cb 1.64 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2wb4 h VAL 175 CO -0.00 0.34 -0.07 -0.62 0.02 0.00 0.00 177.57 177.23 2wb4 n GLU 176 N -4.46 1.73 -2.42 1.57 -0.58 -0.85 -5.07 120.64 110.57 2wb4 n GLU 176 Ca -0.01 -0.52 -0.04 0.00 -0.42 0.00 0.00 57.16 56.17 2wb4 n GLU 176 Cb 0.28 -0.96 -0.01 0.00 -0.57 0.00 0.00 31.44 30.17 2wb4 n GLU 176 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2wb4 n HIS 177 N -0.20 -0.02 -3.73 -0.32 8.25 -0.23 -0.62 115.22 118.34 2wb4 n HIS 177 Ca 0.02 -0.47 -0.28 0.00 -0.26 0.00 0.00 57.72 56.73 2wb4 n HIS 177 Cb 0.11 0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.27 1.73 0.34 -0.41 0.52 -1.02 -4.53 118.95 113.31 2wb4 s ARG 178 Ca 0.05 -2.63 -0.26 0.00 -0.52 0.00 0.00 55.73 52.37 2wb4 s ARG 178 Cb 0.00 -2.64 -0.10 0.00 0.52 0.00 0.00 34.95 32.73 2wb4 s ARG 178 CO 0.03 -1.26 0.96 -1.25 0.02 0.00 0.00 175.30 173.80 2wb4 s PRO 179 N -0.51 4.52 -0.04 3.54 0.04 -1.26 -2.15 135.00 139.13 2wb4 s PRO 179 Ca 0.24 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 2wb4 s PRO 179 Cb -0.10 -2.75 0.03 0.00 0.04 0.00 0.00 34.50 31.72 2wb4 s PRO 179 CO -0.11 0.21 0.03 0.08 0.04 0.00 0.00 177.00 177.24 2wb4 s VAL 180 N -1.63 0.04 0.22 -0.36 1.01 0.13 -4.90 120.40 114.91 2wb4 s VAL 180 Ca 0.52 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 2wb4 s VAL 180 Cb -0.19 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 2wb4 s VAL 180 CO 0.24 0.16 0.56 -0.63 0.00 0.00 0.00 175.10 175.44 2wb4 s ILE 181 N 1.61 4.90 -0.29 2.22 1.01 -1.26 -0.17 121.20 129.22 2wb4 s ILE 181 Ca -0.02 0.58 -0.10 0.00 0.00 0.00 0.00 60.65 61.11 2wb4 s ILE 181 Cb -0.13 -3.64 0.12 0.00 0.01 0.00 0.00 42.46 38.83 2wb4 s ILE 181 CO -0.03 -0.02 0.63 -0.70 0.00 0.00 0.00 174.94 174.82 2wb4 s GLU 182 N -2.65 0.56 -0.23 2.79 2.56 -0.11 -4.85 118.70 116.77 2wb4 s GLU 182 Ca 0.46 1.40 0.07 0.00 0.00 0.00 0.00 54.97 56.90 2wb4 s GLU 182 Cb -0.12 0.77 -0.20 0.00 2.00 0.00 0.00 34.13 36.59 2wb4 s GLU 182 CO 0.20 -0.20 -0.10 -1.13 -0.56 0.00 0.00 175.26 173.47 2wb4 n SER 183 N 5.36 1.33 -4.62 -1.70 3.41 -1.26 -3.67 113.62 112.47 2wb4 n SER 183 Ca -0.12 -0.08 -0.43 0.00 -0.26 0.00 0.00 58.87 57.98 2wb4 n SER 183 Cb 0.50 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 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 -6.20 6.04 0.26 4.04 -1.08 -1.26 -4.79 116.67 113.69 2wb4 s ASP 184 Ca -0.26 1.87 0.00 0.00 -0.52 0.00 0.00 52.55 53.64 2wb4 s ASP 184 Cb 0.08 -2.52 0.35 0.00 -1.46 0.00 0.00 42.92 39.36 2wb4 s ASP 184 CO 0.68 -1.49 1.70 1.55 0.52 0.00 0.00 175.17 178.13 2wb4 h PRO 185 N 12.32 0.58 -1.00 4.34 0.13 -1.98 -2.10 132.00 144.29 2wb4 h PRO 185 Ca -0.39 -0.22 0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2wb4 h PRO 185 Cb 1.20 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 2wb4 h PRO 185 CO 0.98 0.76 0.65 0.93 -0.23 0.00 0.00 178.00 181.09 2wb4 h GLU 186 N 0.51 1.17 0.01 0.86 4.39 -2.01 -1.55 114.58 117.96 2wb4 h GLU 186 Ca 0.08 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.51 2wb4 h GLU 186 Cb 0.67 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2wb4 h GLU 186 CO 0.05 0.78 -0.88 0.87 -1.16 0.00 0.00 179.01 178.66 2wb4 h LYS 187 N 1.21 0.17 0.00 2.33 1.57 -1.94 -3.19 116.57 116.71 2wb4 h LYS 187 Ca 0.42 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2wb4 h LYS 187 Cb 0.10 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2wb4 h LYS 187 CO -0.15 0.94 -0.21 0.00 -0.57 0.00 0.00 179.45 179.46 2wb4 h ALA 188 N 0.99 1.44 -0.39 3.86 0.00 -0.65 -1.05 119.26 123.46 2wb4 h ALA 188 Ca -0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2wb4 h ALA 188 Cb 1.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2wb4 h ALA 188 CO 0.13 0.26 -0.03 0.87 0.00 0.00 0.00 179.25 180.49 2wb4 h LYS 189 N 0.00 0.64 0.26 0.00 1.57 -1.30 -1.77 116.57 115.97 2wb4 h LYS 189 Ca -0.00 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2wb4 h LYS 189 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2wb4 h LYS 189 CO 0.03 0.68 -0.13 0.82 -0.57 0.00 0.00 179.45 180.28 2wb4 h ILE 190 N 0.60 0.60 -0.99 1.86 2.04 -1.32 -3.23 117.51 117.08 2wb4 h ILE 190 Ca 0.12 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.20 2wb4 h ILE 190 Cb 0.42 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 2wb4 h ILE 190 CO 0.02 0.14 0.63 0.28 0.00 0.00 0.00 178.15 179.22 2wb4 h SER 191 N -0.91 0.97 -1.01 1.72 0.02 -1.34 0.62 113.55 113.61 2wb4 h SER 191 Ca -0.04 0.02 0.24 0.00 -0.84 0.00 0.00 61.79 61.17 2wb4 h SER 191 Cb 0.50 -0.18 -0.11 0.00 0.14 0.00 0.00 62.40 62.76 2wb4 h SER 191 CO 0.06 0.58 0.62 0.00 -1.14 0.00 0.00 176.83 176.95 2wb4 h ALA 192 N 1.50 1.93 0.00 3.77 0.00 -1.41 -1.58 119.26 123.47 2wb4 h ALA 192 Ca 0.45 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 2wb4 h ALA 192 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wb4 h ALA 192 CO -0.20 -0.35 -0.09 0.78 0.00 0.00 0.00 179.25 179.39 2wb4 h GLY 193 N 0.56 0.00 0.00 0.00 0.00 -0.88 -3.43 103.07 99.32 2wb4 h GLY 193 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2wb4 h GLY 193 CO -0.38 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.77 2wb4 n GLY 194 N -0.22 -0.95 3.56 4.60 0.00 -0.60 -4.92 105.19 106.67 2wb4 n GLY 194 Ca -0.00 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 2wb4 n GLY 194 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wb4 s PRO 195 N 0.00 3.95 -0.00 1.61 0.04 -1.26 -4.95 135.00 134.39 2wb4 s PRO 195 Ca 0.00 -1.97 0.08 0.00 0.04 0.00 0.00 61.00 59.15 2wb4 s PRO 195 Cb 0.00 -5.44 -0.02 0.00 0.04 0.00 0.00 34.50 29.08 2wb4 s PRO 195 CO 0.00 -2.18 -0.24 0.08 0.04 0.00 0.00 177.00 174.71 2wb4 s VAL 196 N 3.92 2.29 -0.18 -0.36 1.01 -1.26 -4.80 120.40 121.02 2wb4 s VAL 196 Ca 0.51 -1.13 0.18 0.00 0.00 0.00 0.00 61.98 61.54 2wb4 s VAL 196 Cb 0.02 -1.85 -0.25 0.00 0.00 0.00 0.00 36.38 34.30 2wb4 s VAL 196 CO 0.04 0.51 0.14 0.47 0.00 0.00 0.00 175.10 176.26 2wb4 n ASP 197 N 2.18 0.08 -3.66 3.32 8.00 -0.64 -4.97 116.55 120.86 2wb4 n ASP 197 Ca -0.16 0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.23 2wb4 n ASP 197 Cb 0.51 0.93 -0.08 0.00 -0.02 0.00 0.00 41.12 42.46 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 -5.52 -0.14 -0.15 0.64 2.96 -1.14 -4.39 118.68 110.94 2wb4 s LEU 198 Ca -0.09 0.91 -0.01 0.00 -0.22 0.00 0.00 54.13 54.71 2wb4 s LEU 198 Cb 0.06 1.99 -0.01 0.00 0.50 0.00 0.00 46.19 48.73 2wb4 s LEU 198 CO 0.83 -0.32 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.75 2wb4 s VAL 199 N -0.25 3.20 -0.26 1.68 1.01 -0.78 -1.81 120.40 123.19 2wb4 s VAL 199 Ca -0.04 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2wb4 s VAL 199 Cb -0.03 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2wb4 s VAL 199 CO 0.03 0.50 0.11 -0.63 0.00 0.00 0.00 175.10 175.11 2wb4 s ILE 200 N 0.63 4.61 0.07 2.22 1.01 -0.26 -0.82 121.20 128.66 2wb4 s ILE 200 Ca -0.06 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.60 2wb4 s ILE 200 Cb -0.15 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 2wb4 s ILE 200 CO 0.03 0.31 -0.16 -0.69 0.00 0.00 0.00 174.94 174.43 2wb4 s VAL 201 N 1.64 2.95 -0.52 2.92 1.01 0.24 -1.10 120.40 127.54 2wb4 s VAL 201 Ca 0.07 -1.25 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 2wb4 s VAL 201 Cb -0.15 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 33.99 2wb4 s VAL 201 CO 0.06 0.25 0.68 0.21 0.00 0.00 0.00 175.10 176.30 2wb4 s ASN 202 N -1.72 6.24 0.44 3.32 2.47 -1.03 0.28 114.94 124.93 2wb4 s ASN 202 Ca 0.17 -0.85 0.20 0.00 0.42 0.00 0.00 52.86 52.80 2wb4 s ASN 202 Cb -0.11 -2.31 1.01 0.00 -1.45 0.00 0.00 41.25 38.39 2wb4 s ASN 202 CO 0.08 -0.96 1.90 0.00 -3.72 0.00 0.00 177.10 174.40 2wb4 h ALA 203 N 9.06 1.24 -0.95 1.71 0.00 -1.61 -2.99 119.26 125.72 2wb4 h ALA 203 Ca -0.27 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 53.88 2wb4 h ALA 203 Cb 1.09 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.55 2wb4 h ALA 203 CO 0.99 0.32 0.66 0.00 0.00 0.00 0.00 179.25 181.23 2wb4 n ALA 204 N -2.34 5.59 -1.11 0.00 0.00 -1.25 -4.19 120.51 117.21 2wb4 n ALA 204 Ca -0.01 -2.85 -0.31 0.00 0.00 0.00 0.00 53.44 50.27 2wb4 n ALA 204 Cb 0.36 -1.48 0.11 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.22 2.00 -0.17 0.00 0.00 -1.13 -4.99 121.76 114.25 2wb4 s ALA 205 Ca 0.55 0.33 0.14 0.00 0.00 0.00 0.00 51.96 52.98 2wb4 s ALA 205 Cb 0.46 -3.31 -0.21 0.00 0.00 0.00 0.00 23.12 20.06 2wb4 s ALA 205 CO 0.08 -2.07 0.03 1.63 0.00 0.00 0.00 175.76 175.44 2wb4 n LYS 206 N -3.73 1.13 -0.04 0.00 5.02 -1.26 -4.59 118.16 114.69 2wb4 n LYS 206 Ca 0.10 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.51 2wb4 n LYS 206 Cb 0.53 -1.44 0.15 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 -2.68 2.98 -3.77 4.39 4.13 -1.26 -4.98 115.26 114.07 2wb4 n ASN 207 Ca -0.29 -1.97 -0.08 0.00 1.68 0.00 0.00 54.58 53.92 2wb4 n ASN 207 Cb 1.05 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 39.22 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 -1.91 -0.25 -0.60 3.10 -0.12 -1.26 -5.08 117.98 111.85 2wb4 s PHE 208 Ca 0.31 -0.15 -0.21 0.00 -0.05 0.00 0.00 56.93 56.83 2wb4 s PHE 208 Cb 0.21 0.66 0.08 0.00 -0.63 0.00 0.00 43.02 43.34 2wb4 s PHE 208 CO 0.31 -1.14 0.80 0.34 -0.05 0.00 0.00 175.22 175.47 2wb4 s ASP 209 N -2.88 6.19 0.29 1.98 -1.08 -1.26 -4.42 116.67 115.49 2wb4 s ASP 209 Ca 0.09 -1.13 -0.01 0.00 -0.52 0.00 0.00 52.55 50.98 2wb4 s ASP 209 Cb -0.05 -2.35 0.66 0.00 -1.46 0.00 0.00 42.92 39.72 2wb4 s ASP 209 CO 0.03 -1.21 1.60 1.23 0.52 0.00 0.00 175.17 177.33 2wb4 h GLY 210 N 10.50 1.14 1.04 2.66 0.00 -1.73 -0.54 103.07 116.15 2wb4 h GLY 210 Ca -0.29 0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 2wb4 h GLY 210 CO 1.11 -0.43 -0.29 1.41 0.00 0.00 0.00 176.54 178.34 2wb4 h LEU 211 N 0.06 0.88 -0.35 3.11 3.38 -1.86 -1.91 115.31 118.61 2wb4 h LEU 211 Ca 0.54 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wb4 h LEU 211 Cb 1.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2wb4 h LEU 211 CO -0.82 1.14 0.22 -0.09 0.09 0.00 0.00 178.44 178.98 2wb4 h ARG 212 N 0.62 0.47 -0.82 1.13 2.43 -1.70 0.40 114.38 116.92 2wb4 h ARG 212 Ca 0.07 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2wb4 h ARG 212 Cb 0.86 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 2wb4 h ARG 212 CO 0.08 0.33 0.49 0.35 -1.51 0.00 0.00 179.97 179.71 2wb4 h PHE 213 N 0.47 0.91 -0.75 2.20 3.57 -1.04 -1.24 116.94 121.05 2wb4 h PHE 213 Ca 0.13 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2wb4 h PHE 213 Cb -0.03 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 2wb4 h PHE 213 CO -0.05 0.44 0.24 1.15 -2.23 0.00 0.00 178.31 177.86 2wb4 h THR 214 N 0.89 1.26 -0.69 4.41 2.02 -0.63 -2.57 112.91 117.60 2wb4 h THR 214 Ca 0.36 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.67 2wb4 h THR 214 Cb 0.21 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 2wb4 h THR 214 CO -0.19 0.36 0.42 0.00 0.37 0.00 0.00 175.52 176.48 2wb4 h ALA 215 N 1.13 0.91 -0.63 6.16 0.00 -0.46 -2.05 119.26 124.32 2wb4 h ALA 215 Ca 0.24 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2wb4 h ALA 215 Cb 0.31 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2wb4 h ALA 215 CO -0.01 0.16 0.34 0.00 0.00 0.00 0.00 179.25 179.74 2wb4 h ALA 216 N 1.31 0.83 -0.52 0.00 0.00 -0.85 0.31 119.26 120.34 2wb4 h ALA 216 Ca 0.29 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wb4 h ALA 216 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2wb4 h ALA 216 CO -0.13 0.01 0.32 -0.07 0.00 0.00 0.00 179.25 179.38 2wb4 h LEU 217 N 0.64 0.62 -0.65 0.00 3.38 -1.17 -1.88 115.31 116.24 2wb4 h LEU 217 Ca 0.28 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2wb4 h LEU 217 Cb 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2wb4 h LEU 217 CO -0.18 0.49 0.20 0.03 0.09 0.00 0.00 178.44 179.07 2wb4 h ARG 218 N 0.70 1.01 -0.73 1.13 2.47 -0.84 -3.01 114.38 115.11 2wb4 h ARG 218 Ca 0.19 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 2wb4 h ARG 218 Cb -0.02 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.12 2wb4 h ARG 218 CO -0.04 0.89 0.33 0.66 0.56 0.00 0.00 179.97 182.37 2wb4 h SER 219 N 0.94 0.97 -3.23 7.04 4.64 -0.82 -3.41 113.55 119.68 2wb4 h SER 219 Ca 0.21 -0.15 -0.53 0.00 -0.47 0.00 0.00 61.79 60.85 2wb4 h SER 219 Cb 0.30 -0.25 0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2wb4 h SER 219 CO -0.01 0.85 0.62 -1.61 -0.87 0.00 0.00 176.83 175.81 2wb4 s GLU 220 N -5.65 4.41 0.13 4.77 0.41 -0.72 -4.94 118.70 117.11 2wb4 s GLU 220 Ca -0.13 1.92 -0.18 0.00 -0.41 0.00 0.00 54.97 56.18 2wb4 s GLU 220 Cb 0.15 -3.27 -0.03 0.00 -1.78 0.00 0.00 34.13 29.20 2wb4 s GLU 220 CO 0.81 -0.27 1.77 1.05 -0.49 0.00 0.00 175.26 178.13 2wb4 h GLU 221 N 6.24 0.41 0.00 1.61 4.11 -1.83 -2.66 114.58 122.47 2wb4 h GLU 221 Ca -0.43 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 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 0.81 0.31 -0.03 -0.09 0.07 0.00 0.00 179.01 180.08 2wb4 h ARG 222 N 0.40 0.00 -0.00 1.06 2.43 -1.92 -2.91 114.38 113.43 2wb4 h ARG 222 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2wb4 h ARG 222 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wb4 h ARG 222 CO -0.02 0.03 -0.01 0.25 -1.51 0.00 0.00 179.97 178.71 2wb4 n THR 223 N -3.65 0.00 -0.12 0.20 -2.24 -1.17 -4.79 114.28 102.51 2wb4 n THR 223 Ca -0.03 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.40 2wb4 n THR 223 Cb 0.12 1.05 0.52 0.00 -2.10 0.00 0.00 70.33 69.92 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 0.45 0.37 0.00 -0.78 2.43 -1.26 0.43 114.38 116.00 2wb4 h ARG 224 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wb4 h ARG 224 Cb 0.10 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2wb4 h ARG 224 CO 0.00 0.24 -0.40 1.96 -1.51 0.00 0.00 179.97 180.26 2wb4 h GLN 225 N 0.38 0.00 -6.33 0.20 1.08 -1.87 -3.45 115.11 105.11 2wb4 h GLN 225 Ca 0.32 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.91 2wb4 h GLN 225 Cb 0.74 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.20 2wb4 h GLN 225 CO -0.09 0.00 1.00 -0.11 -0.95 0.00 0.00 178.83 178.68 2wb4 n LEU 226 N -2.33 3.29 -4.77 1.46 7.94 0.14 -4.93 117.00 117.80 2wb4 n LEU 226 Ca 0.04 1.01 -0.41 0.00 -1.11 0.00 0.00 56.01 55.54 2wb4 n LEU 226 Cb 0.46 -1.38 -0.02 0.00 0.53 0.00 0.00 43.42 43.02 2wb4 n LEU 226 CO 0.35 -0.14 1.03 -2.84 -1.11 0.00 0.00 177.39 174.67 2wb4 s PRO 227 N 3.15 4.29 -0.01 1.96 0.02 -1.26 -4.94 135.00 138.21 2wb4 s PRO 227 Ca 0.89 2.30 0.05 0.00 0.02 0.00 0.00 61.00 64.27 2wb4 s PRO 227 Cb -0.70 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 30.74 2wb4 s PRO 227 CO 0.48 -0.30 -0.18 0.08 -0.33 0.00 0.00 177.00 176.76 2wb4 s VAL 228 N -0.93 1.39 -0.14 3.83 1.01 -1.26 -1.86 120.40 122.44 2wb4 s VAL 228 Ca 0.52 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2wb4 s VAL 228 Cb -0.41 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2wb4 s VAL 228 CO 0.53 0.37 -0.16 -0.22 0.00 0.00 0.00 175.10 175.63 2wb4 s LEU 229 N -0.47 1.78 -0.15 3.92 2.96 0.00 -0.75 118.68 125.97 2wb4 s LEU 229 Ca 0.07 -0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 53.43 2wb4 s LEU 229 Cb -0.07 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 2wb4 s LEU 229 CO -0.01 -0.02 0.03 0.00 -1.32 0.00 0.00 176.35 175.04 2wb4 s ALA 230 N 1.26 3.34 -0.25 5.97 0.00 0.09 -0.59 121.76 131.58 2wb4 s ALA 230 Ca 0.01 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 2wb4 s ALA 230 Cb -0.14 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 2wb4 s ALA 230 CO -0.07 0.33 0.54 -1.64 0.00 0.00 0.00 175.76 174.91 2wb4 s MET 231 N -0.09 4.09 0.08 0.00 1.00 0.14 0.02 119.30 124.55 2wb4 s MET 231 Ca 0.05 0.37 0.06 0.00 0.00 0.00 0.00 55.69 56.17 2wb4 s MET 231 Cb -0.12 -3.64 -0.03 0.00 0.00 0.00 0.00 34.83 31.03 2wb4 s MET 231 CO 0.02 -0.34 -0.16 0.14 0.00 0.00 0.00 175.02 174.68 2wb4 s VAL 232 N 2.27 1.25 -0.15 -6.03 -7.23 0.18 -1.53 120.40 109.16 2wb4 s VAL 232 Ca 0.22 -1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 2wb4 s VAL 232 Cb -0.16 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 2wb4 s VAL 232 CO 0.09 -0.19 1.78 -0.62 -0.31 0.00 0.00 175.10 175.85 2wb4 s ASP 233 N -1.79 6.28 0.50 4.85 2.15 -1.26 -1.64 116.67 125.77 2wb4 s ASP 233 Ca 0.00 1.94 0.19 0.00 0.43 0.00 0.00 52.55 55.11 2wb4 s ASP 233 Cb -0.10 -2.53 1.28 0.00 -0.30 0.00 0.00 42.92 41.28 2wb4 s ASP 233 CO 0.03 -1.29 2.09 1.55 -0.17 0.00 0.00 175.17 177.38 2wb4 h PRO 234 N 11.23 0.00 -0.90 4.34 0.13 -1.93 -2.68 132.00 142.20 2wb4 h PRO 234 Ca -0.38 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 2wb4 h PRO 234 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2wb4 h PRO 234 CO 0.98 0.09 0.11 -0.25 -0.23 0.00 0.00 178.00 178.69 2wb4 n ASP 235 N -4.21 3.06 -3.48 1.44 8.00 -1.26 -4.60 116.55 115.50 2wb4 n ASP 235 Ca -0.03 -2.48 -0.28 0.00 0.71 0.00 0.00 54.79 52.71 2wb4 n ASP 235 Cb 0.17 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.56 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 -0.14 2.46 0.12 -2.24 -1.08 -1.01 -5.01 116.67 109.76 2wb4 s ASP 236 Ca 0.22 -2.71 -0.13 0.00 -0.52 0.00 0.00 52.55 49.41 2wb4 s ASP 236 Cb 0.18 -0.55 -0.06 0.00 -1.46 0.00 0.00 42.92 41.03 2wb4 s ASP 236 CO 0.06 -0.23 1.46 -0.09 0.52 0.00 0.00 175.17 176.89 2wb4 h ARG 237 N 6.30 0.80 -0.03 4.34 2.43 -1.84 -3.01 114.38 123.36 2wb4 h ARG 237 Ca 0.15 -0.40 0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2wb4 h ARG 237 Cb 0.93 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2wb4 h ARG 237 CO 0.36 1.03 0.03 0.78 -1.51 0.00 0.00 179.97 180.66 2wb4 h GLY 238 N 0.59 0.00 1.57 2.80 0.00 -1.97 -1.48 103.07 104.58 2wb4 h GLY 238 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.19 2wb4 h GLY 238 CO 0.07 0.00 -1.15 -0.09 0.00 0.00 0.00 176.54 175.37 2wb4 h ARG 239 N 0.00 0.00 -0.14 4.80 2.43 -1.93 -2.70 114.38 116.84 2wb4 h ARG 239 Ca 0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2wb4 h ARG 239 Cb 0.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2wb4 h ARG 239 CO -0.00 0.66 -0.07 0.52 -1.51 0.00 0.00 179.97 179.56 2wb4 h MET 240 N 0.00 0.30 -0.44 0.20 2.86 -1.22 -2.01 114.93 114.62 2wb4 h MET 240 Ca -0.11 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2wb4 h MET 240 Cb 1.73 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.35 2wb4 h MET 240 CO 0.09 0.63 0.26 0.28 1.06 0.00 0.00 176.91 179.23 2wb4 h VAL 241 N -0.05 1.05 -1.00 -2.22 2.07 -1.42 -1.24 116.25 113.44 2wb4 h VAL 241 Ca 0.03 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.44 2wb4 h VAL 241 Cb 0.55 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 2wb4 h VAL 241 CO 0.02 0.10 0.65 0.50 0.02 0.00 0.00 177.57 178.85 2wb4 h LYS 242 N 0.52 1.12 -0.10 1.57 3.64 -1.47 -1.19 116.57 120.66 2wb4 h LYS 242 Ca 0.18 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2wb4 h LYS 242 Cb 0.01 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2wb4 h LYS 242 CO -0.08 0.74 0.02 0.00 -2.27 0.00 0.00 179.45 177.86 2wb4 h ALA 243 N 1.47 0.14 -0.64 5.00 0.00 -0.54 -1.31 119.26 123.38 2wb4 h ALA 243 Ca 0.44 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2wb4 h ALA 243 Cb 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2wb4 h ALA 243 CO -0.18 -0.21 0.42 -0.07 0.00 0.00 0.00 179.25 179.21 2wb4 h LEU 244 N -0.06 0.63 -0.41 0.00 3.38 -1.00 -2.43 115.31 115.42 2wb4 h LEU 244 Ca 0.03 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 2wb4 h LEU 244 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2wb4 h LEU 244 CO 0.00 0.43 -0.39 -0.33 0.09 0.00 0.00 178.44 178.24 2wb4 h GLU 245 N 0.73 0.92 0.00 1.13 5.08 -0.77 -3.13 114.58 118.54 2wb4 h GLU 245 Ca 0.26 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2wb4 h GLU 245 Cb 0.12 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2wb4 h GLU 245 CO -0.07 1.14 0.00 -0.84 -1.00 0.00 0.00 179.01 178.23 2wb4 h ILE 246 N 0.75 0.00 0.00 3.13 3.07 -1.01 -3.46 117.51 119.98 2wb4 h ILE 246 Ca 0.06 -0.62 0.00 0.00 1.55 0.00 0.00 64.86 65.86 2wb4 h ILE 246 Cb 0.98 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2wb4 h ILE 246 CO 0.09 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.80 2wb4 n GLY 247 N 0.55 1.46 3.75 0.16 0.00 -1.07 -4.82 105.19 105.21 2wb4 n GLY 247 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.46 2.79 0.19 1.61 1.01 -0.94 -4.82 120.40 118.78 2wb4 s VAL 248 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2wb4 s VAL 248 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 2wb4 s VAL 248 CO 0.00 0.11 1.46 0.78 0.00 0.00 0.00 175.10 177.45 2wb4 h ASN 249 N 4.94 0.37 -4.83 3.32 4.21 -1.30 -3.44 115.58 118.86 2wb4 h ASN 249 Ca -0.46 -0.25 0.01 0.00 1.21 0.00 0.00 56.30 56.82 2wb4 h ASN 249 Cb 1.22 -0.11 -0.15 0.00 -1.12 0.00 0.00 38.32 38.15 2wb4 h ASN 249 CO 0.76 0.97 0.31 -0.62 -1.29 0.00 0.00 177.43 177.56 2wb4 s ASP 250 N -6.94 -0.52 -0.05 5.81 2.15 -1.18 -5.04 116.67 110.90 2wb4 s ASP 250 Ca -0.05 0.20 0.06 0.00 0.43 0.00 0.00 52.55 53.19 2wb4 s ASP 250 Cb 0.11 0.51 -0.02 0.00 -0.30 0.00 0.00 42.92 43.22 2wb4 s ASP 250 CO 0.82 -0.75 -0.22 -0.63 -0.17 0.00 0.00 175.17 174.23 2wb4 s ILE 251 N -2.79 2.34 -0.07 4.11 1.01 -1.26 -0.73 121.20 123.81 2wb4 s ILE 251 Ca -0.01 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.70 2wb4 s ILE 251 Cb -0.01 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2wb4 s ILE 251 CO -0.06 0.57 -0.18 -0.76 0.00 0.00 0.00 174.94 174.51 2wb4 s LEU 252 N -0.36 2.45 0.29 2.97 1.02 0.10 -4.93 118.68 120.23 2wb4 s LEU 252 Ca 0.02 -0.36 -0.25 0.00 0.02 0.00 0.00 54.13 53.56 2wb4 s LEU 252 Cb -0.12 -1.49 -0.09 0.00 0.02 0.00 0.00 46.19 44.50 2wb4 s LEU 252 CO 0.02 0.26 0.90 -0.44 0.02 0.00 0.00 176.35 177.11 2wb4 s SER 253 N -0.24 7.31 0.15 2.29 0.01 -1.26 0.47 113.70 122.44 2wb4 s SER 253 Ca -0.00 1.76 -0.20 0.00 1.31 0.00 0.00 55.95 58.82 2wb4 s SER 253 Cb -0.13 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.47 2wb4 s SER 253 CO 0.03 -0.03 0.66 -0.13 0.41 0.00 0.00 173.24 174.19 2wb4 s ARG 254 N -1.95 4.27 0.67 12.44 0.52 -0.65 -3.89 118.95 130.36 2wb4 s ARG 254 Ca 0.48 0.84 -0.13 0.00 -0.52 0.00 0.00 55.73 56.40 2wb4 s ARG 254 Cb -0.19 -3.09 -0.00 0.00 0.52 0.00 0.00 34.95 32.19 2wb4 s ARG 254 CO 0.24 0.52 1.07 -1.25 0.02 0.00 0.00 175.30 175.90 2wb4 s PRO 255 N -1.51 2.95 -0.49 3.54 0.04 -1.26 -4.36 135.00 133.91 2wb4 s PRO 255 Ca 0.36 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 2wb4 s PRO 255 Cb -0.19 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.39 2wb4 s PRO 255 CO 0.21 -1.09 0.99 0.42 0.04 0.00 0.00 177.00 177.57 2wb4 s ILE 256 N -2.77 4.37 0.02 0.56 -1.09 -1.25 -5.01 121.20 116.03 2wb4 s ILE 256 Ca 0.61 0.77 -0.30 0.00 -2.23 0.00 0.00 60.65 59.50 2wb4 s ILE 256 Cb -0.16 -4.51 -0.07 0.00 -1.58 0.00 0.00 42.46 36.15 2wb4 s ILE 256 CO 0.48 -0.96 1.61 -0.62 -1.23 0.00 0.00 174.94 174.22 2wb4 s ASP 257 N 2.45 6.66 0.25 3.58 -1.08 -1.26 -4.93 116.67 122.35 2wb4 s ASP 257 Ca 0.38 2.35 -0.04 0.00 -0.52 0.00 0.00 52.55 54.73 2wb4 s ASP 257 Cb -0.10 -2.55 0.29 0.00 -1.46 0.00 0.00 42.92 39.10 2wb4 s ASP 257 CO 0.26 -0.87 1.78 -0.65 0.52 0.00 0.00 175.17 176.21 2wb4 h PRO 258 N 8.61 0.94 -0.12 4.34 0.11 -1.98 -1.11 132.00 142.79 2wb4 h PRO 258 Ca -0.41 -0.21 -0.23 0.00 0.11 0.00 0.00 66.00 65.26 2wb4 h PRO 258 Cb 1.19 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.18 2wb4 h PRO 258 CO 0.93 0.84 -0.83 1.96 -0.21 0.00 0.00 178.00 180.69 2wb4 h GLN 259 N 0.90 0.76 -0.27 1.05 4.20 -1.99 -1.25 115.11 118.50 2wb4 h GLN 259 Ca 0.19 -0.66 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 2wb4 h GLN 259 Cb 0.33 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2wb4 h GLN 259 CO 0.00 1.26 0.12 1.49 -0.67 0.00 0.00 178.83 181.03 2wb4 h GLU 260 N 0.50 0.40 -0.34 1.46 4.81 -1.96 -2.40 114.58 117.05 2wb4 h GLU 260 Ca -0.07 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2wb4 h GLU 260 Cb 1.46 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.72 2wb4 h GLU 260 CO 0.17 0.40 0.01 1.25 -0.73 0.00 0.00 179.01 180.11 2wb4 h LEU 261 N 0.30 -0.12 -1.02 1.64 5.85 -1.05 -1.77 115.31 119.14 2wb4 h LEU 261 Ca 0.09 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2wb4 h LEU 261 Cb 0.14 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2wb4 h LEU 261 CO -0.01 -0.02 0.65 0.28 -0.34 0.00 0.00 178.44 179.00 2wb4 h SER 262 N 0.11 1.08 0.15 1.25 0.02 -1.08 -2.36 113.55 112.72 2wb4 h SER 262 Ca 0.17 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.94 2wb4 h SER 262 Cb 0.22 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2wb4 h SER 262 CO -0.27 0.72 -0.64 0.00 -1.14 0.00 0.00 176.83 175.51 2wb4 h ALA 263 N 1.43 0.66 0.06 3.77 0.00 -0.85 -1.96 119.26 122.37 2wb4 h ALA 263 Ca 0.41 -0.56 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 2wb4 h ALA 263 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wb4 h ALA 263 CO -0.14 0.72 -1.09 0.00 0.00 0.00 0.00 179.25 178.75 2wb4 h ARG 264 N 0.34 0.16 0.04 0.00 3.08 -1.23 -2.73 114.38 114.05 2wb4 h ARG 264 Ca -0.01 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2wb4 h ARG 264 Cb 1.19 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2wb4 h ARG 264 CO 0.11 1.09 -0.02 0.28 -1.07 0.00 0.00 179.97 180.36 2wb4 h VAL 265 N 0.06 1.19 -0.39 2.04 2.07 -1.36 -2.55 116.25 117.31 2wb4 h VAL 265 Ca -0.07 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.72 2wb4 h VAL 265 Cb 1.81 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 33.21 2wb4 h VAL 265 CO 0.16 0.20 -0.54 0.50 0.02 0.00 0.00 177.57 177.91 2wb4 h LYS 266 N -0.40 -0.39 -0.82 1.57 3.64 -1.41 -1.37 116.57 117.38 2wb4 h LYS 266 Ca -0.01 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.60 2wb4 h LYS 266 Cb 0.37 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 32.15 2wb4 h LYS 266 CO 0.01 -0.26 0.22 1.15 -2.27 0.00 0.00 179.45 178.30 2wb4 h THR 267 N -0.41 0.43 -0.14 1.00 2.02 -1.42 0.25 112.91 114.64 2wb4 h THR 267 Ca 0.08 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 2wb4 h THR 267 Cb 0.60 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2wb4 h THR 267 CO -0.58 0.05 -0.37 1.56 0.37 0.00 0.00 175.52 176.54 2wb4 h GLN 268 N 0.26 0.51 0.00 6.66 1.08 -0.99 -2.11 115.11 120.52 2wb4 h GLN 268 Ca 0.49 -0.35 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2wb4 h GLN 268 Cb 0.90 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.38 2wb4 h GLN 268 CO -0.57 0.97 -0.12 0.82 -0.95 0.00 0.00 178.83 178.98 2wb4 h ILE 269 N 0.13 0.91 0.15 2.54 2.04 -0.35 -0.03 117.51 122.91 2wb4 h ILE 269 Ca -0.01 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2wb4 h ILE 269 Cb 0.99 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2wb4 h ILE 269 CO 0.08 0.11 -0.07 -0.61 0.00 0.00 0.00 178.15 177.66 2wb4 h GLN 270 N 0.00 -0.20 -1.00 2.37 4.15 -0.77 -2.60 115.11 117.06 2wb4 h GLN 270 Ca -0.00 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.47 2wb4 h GLN 270 Cb 0.23 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.91 2wb4 h GLN 270 CO 0.02 0.25 0.66 -0.09 -1.93 0.00 0.00 178.83 177.73 2wb4 h ARG 271 N -0.80 1.24 -0.48 1.69 2.43 -1.30 -1.83 114.38 115.33 2wb4 h ARG 271 Ca -0.02 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2wb4 h ARG 271 Cb 0.53 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2wb4 h ARG 271 CO 0.03 0.82 0.31 -0.22 -1.51 0.00 0.00 179.97 179.41 2wb4 h LYS 272 N 1.28 0.62 -0.03 0.20 1.63 -1.07 -2.79 116.57 116.41 2wb4 h LYS 272 Ca 0.40 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 60.07 2wb4 h LYS 272 Cb -0.02 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 2wb4 h LYS 272 CO -0.12 0.41 -0.38 0.00 -3.45 0.00 0.00 179.45 175.92 2wb4 h ARG 273 N 0.64 0.06 0.00 1.90 3.08 -1.02 -1.88 114.38 117.16 2wb4 h ARG 273 Ca 0.18 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 2wb4 h ARG 273 Cb -0.07 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2wb4 h ARG 273 CO -0.04 0.43 -0.45 -0.92 -1.07 0.00 0.00 179.97 177.91 2wb4 h TYR 274 N 0.05 0.00 0.00 3.04 3.20 -1.22 0.17 116.97 122.21 2wb4 h TYR 274 Ca 0.00 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.71 2wb4 h TYR 274 Cb 0.69 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2wb4 h TYR 274 CO 0.00 0.45 -0.88 1.15 -1.64 0.00 0.00 178.16 177.25 2wb4 h THR 275 N 0.00 1.16 0.06 1.81 2.02 -1.12 -2.51 112.91 114.32 2wb4 h THR 275 Ca -0.00 -2.70 -0.24 0.00 0.77 0.00 0.00 66.41 64.24 2wb4 h THR 275 Cb 0.85 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 2wb4 h THR 275 CO 0.06 0.66 -1.09 0.44 0.37 0.00 0.00 175.52 175.96 2wb4 h ASP 276 N 0.00 0.20 -0.67 4.18 3.32 -1.26 -2.28 116.42 119.92 2wb4 h ASP 276 Ca -0.04 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 56.82 2wb4 h ASP 276 Cb 1.60 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 41.05 2wb4 h ASP 276 CO 0.09 1.15 0.44 0.22 -1.72 0.00 0.00 179.24 179.42 2wb4 h TYR 277 N 0.04 0.80 -0.02 4.55 3.20 -0.86 0.41 116.97 125.10 2wb4 h TYR 277 Ca -0.07 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 2wb4 h TYR 277 Cb 1.83 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.84 2wb4 h TYR 277 CO 0.03 0.48 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.70 2wb4 h LEU 278 N 0.85 0.26 -1.75 2.82 3.38 -1.42 -1.68 115.31 117.77 2wb4 h LEU 278 Ca 0.26 -0.74 0.06 0.00 0.09 0.00 0.00 57.88 57.55 2wb4 h LEU 278 Cb -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2wb4 h LEU 278 CO -0.07 0.96 0.28 0.03 0.09 0.00 0.00 178.44 179.74 2wb4 h ARG 279 N -0.41 0.30 0.15 1.13 3.08 -1.13 -2.22 114.38 115.27 2wb4 h ARG 279 Ca -0.03 -0.02 -0.30 0.00 0.07 0.00 0.00 59.98 59.71 2wb4 h ARG 279 Cb 0.99 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.98 2wb4 h ARG 279 CO 0.05 0.20 -1.40 -0.91 -1.07 0.00 0.00 179.97 176.84 2wb4 h ASN 280 N 0.31 0.48 -0.13 7.04 2.35 -0.15 -2.93 115.58 122.55 2wb4 h ASN 280 Ca 0.18 -0.57 -0.04 0.00 -0.55 0.00 0.00 56.30 55.33 2wb4 h ASN 280 Cb 0.34 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2wb4 h ASN 280 CO -0.04 1.46 -0.02 0.78 -1.65 0.00 0.00 177.43 177.96 2wb4 h ASN 281 N 0.08 0.34 0.71 5.81 4.21 -1.03 -1.35 115.58 124.36 2wb4 h ASN 281 Ca -0.20 -0.05 -0.16 0.00 1.21 0.00 0.00 56.30 57.10 2wb4 h ASN 281 Cb 2.02 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 39.11 2wb4 h ASN 281 CO 0.20 0.41 -0.74 0.25 -1.29 0.00 0.00 177.43 176.27 2wb4 h LEU 282 N 0.36 0.03 0.03 1.61 5.85 -1.43 -2.78 115.31 118.98 2wb4 h LEU 282 Ca 0.08 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.57 2wb4 h LEU 282 Cb 0.27 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.31 2wb4 h LEU 282 CO 0.01 0.75 -0.84 0.44 -0.34 0.00 0.00 178.44 178.46 2wb4 h ASP 283 N 0.01 0.68 -0.71 1.25 3.32 -1.33 -2.86 116.42 116.79 2wb4 h ASP 283 Ca -0.01 -0.78 0.13 0.00 0.02 0.00 0.00 57.03 56.39 2wb4 h ASP 283 Cb 1.30 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 2wb4 h ASP 283 CO 0.10 1.38 0.47 -0.74 -1.72 0.00 0.00 179.24 178.74 2wb4 h HIS 284 N 0.06 0.46 0.14 4.55 2.76 -1.19 -1.46 115.15 120.46 2wb4 h HIS 284 Ca -0.11 0.01 -0.26 0.00 -2.20 0.00 0.00 60.37 57.81 2wb4 h HIS 284 Cb 1.54 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 30.36 2wb4 h HIS 284 CO 0.14 0.19 -1.29 0.77 -1.30 0.00 0.00 177.93 176.43 2wb4 h SER 285 N 0.40 0.45 -1.05 3.26 0.02 -1.52 -2.66 113.55 112.46 2wb4 h SER 285 Ca 0.34 -0.89 0.30 0.00 -0.84 0.00 0.00 61.79 60.70 2wb4 h SER 285 Cb 0.77 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 2wb4 h SER 285 CO -0.10 1.58 0.75 0.25 -1.14 0.00 0.00 176.83 178.17 2wb4 h LEU 286 N -0.26 0.06 0.18 5.07 5.85 -1.28 -2.58 115.31 122.34 2wb4 h LEU 286 Ca -0.26 0.01 -0.31 0.00 0.84 0.00 0.00 57.88 58.16 2wb4 h LEU 286 Cb 1.78 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.84 2wb4 h LEU 286 CO 0.11 0.01 -1.35 -0.33 -0.34 0.00 0.00 178.44 176.54 2wb4 h GLU 287 N 0.05 0.45 0.00 1.25 5.08 -0.92 -3.02 114.58 117.48 2wb4 h GLU 287 Ca 0.51 -0.74 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2wb4 h GLU 287 Cb 1.94 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 31.46 2wb4 h GLU 287 CO -0.04 1.35 -0.03 -0.07 -1.00 0.00 0.00 179.01 179.22 2wb4 h LEU 288 N 0.14 0.00 -9.32 1.33 3.38 -1.26 -3.43 115.31 106.15 2wb4 h LEU 288 Ca -0.20 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.22 2wb4 h LEU 288 Cb 2.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 2wb4 h LEU 288 CO 0.24 0.03 0.78 0.00 0.09 0.00 0.00 178.44 179.58 2wb4 s ALA 289 N -4.71 3.55 -0.19 1.53 0.00 -1.08 -4.89 121.76 115.97 2wb4 s ALA 289 Ca -0.05 0.71 0.14 0.00 0.00 0.00 0.00 51.96 52.76 2wb4 s ALA 289 Cb 0.15 -3.56 -0.20 0.00 0.00 0.00 0.00 23.12 19.51 2wb4 s ALA 289 CO 0.60 -0.88 0.38 0.28 0.00 0.00 0.00 175.76 176.14 2wb4 n VAL 290 N 4.73 0.00 -3.87 0.00 0.31 -1.26 -4.91 118.33 113.33 2wb4 n VAL 290 Ca 0.12 -0.28 -0.21 0.00 -0.01 0.00 0.00 64.34 63.96 2wb4 n VAL 290 Cb 0.45 0.40 -0.03 0.00 -0.91 0.00 0.00 33.84 33.75 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 -2.80 4.19 -0.23 2.52 -4.23 -1.26 -1.22 115.64 112.61 2wb4 s THR 291 Ca -0.02 -1.26 -0.19 0.00 -1.18 0.00 0.00 61.69 59.04 2wb4 s THR 291 Cb 0.09 -3.40 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 2wb4 s THR 291 CO 0.58 -0.25 0.57 -0.62 -0.54 0.00 0.00 174.62 174.36 2wb4 s ASP 292 N -3.98 6.56 0.11 3.99 2.15 0.11 -4.53 116.67 121.08 2wb4 s ASP 292 Ca 0.38 0.67 -0.21 0.00 0.43 0.00 0.00 52.55 53.82 2wb4 s ASP 292 Cb -0.08 -2.31 -0.08 0.00 -0.30 0.00 0.00 42.92 40.15 2wb4 s ASP 292 CO 0.27 -0.27 1.73 1.56 -0.17 0.00 0.00 175.17 178.29 2wb4 h GLN 293 N 7.71 0.04 0.04 4.34 1.08 -1.97 0.18 115.11 126.53 2wb4 h GLN 293 Ca -0.30 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.92 2wb4 h GLN 293 Cb 1.14 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.52 2wb4 h GLN 293 CO 0.75 0.03 -0.27 1.25 -0.95 0.00 0.00 178.83 179.63 2wb4 h LEU 294 N 0.04 -0.80 0.00 1.46 5.85 -1.97 -3.32 115.31 116.57 2wb4 h LEU 294 Ca 0.05 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2wb4 h LEU 294 Cb 0.06 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2wb4 h LEU 294 CO -0.09 -0.35 -1.24 0.35 -0.34 0.00 0.00 178.44 176.77 2wb4 n THR 295 N -5.39 0.00 -0.80 1.05 -2.24 -1.19 -4.92 114.28 100.78 2wb4 n THR 295 Ca -0.05 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2wb4 n THR 295 Cb 0.30 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.43 0.74 3.78 3.38 0.00 0.62 -4.93 105.19 110.22 2wb4 n GLY 296 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 1.92 0.63 0.99 1.43 -1.26 -4.76 118.68 117.63 2wb4 s LEU 297 Ca 0.00 0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 53.67 2wb4 s LEU 297 Cb 0.00 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 2wb4 s LEU 297 CO 0.00 -2.88 1.18 -1.00 0.23 0.00 0.00 176.35 173.88 2wb4 s HIS 298 N -3.36 2.38 0.68 0.29 3.76 -1.25 0.07 115.29 117.85 2wb4 s HIS 298 Ca 0.67 1.54 -0.02 0.00 -0.15 0.00 0.00 55.06 57.10 2wb4 s HIS 298 Cb -0.11 -3.41 0.09 0.00 1.11 0.00 0.00 32.58 30.25 2wb4 s HIS 298 CO 0.54 -2.15 0.95 0.54 -0.85 0.00 0.00 174.74 173.77 2wb4 s ASN 299 N -1.86 4.68 0.16 1.40 2.20 -0.36 -2.19 114.94 118.98 2wb4 s ASN 299 Ca 0.75 -0.02 -0.14 0.00 -0.94 0.00 0.00 52.86 52.50 2wb4 s ASN 299 Cb -0.28 -0.57 0.04 0.00 -2.00 0.00 0.00 41.25 38.45 2wb4 s ASN 299 CO 0.36 -1.62 1.77 -0.09 -2.94 0.00 0.00 177.10 174.58 2wb4 h ARG 300 N -0.42 0.69 0.03 3.55 2.43 -1.85 -2.21 114.38 116.60 2wb4 h ARG 300 Ca -0.41 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 58.72 2wb4 h ARG 300 Cb 1.29 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 2wb4 h ARG 300 CO 0.49 0.54 -0.33 -0.09 -1.51 0.00 0.00 179.97 179.07 2wb4 h ARG 301 N 0.66 -0.48 -0.60 0.20 2.43 -1.94 -0.72 114.38 113.93 2wb4 h ARG 301 Ca 0.18 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2wb4 h ARG 301 Cb 0.04 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2wb4 h ARG 301 CO -0.03 -0.32 0.33 -0.92 -1.51 0.00 0.00 179.97 177.53 2wb4 h TYR 302 N -0.50 0.82 -0.84 2.20 3.20 -1.81 -2.21 116.97 117.84 2wb4 h TYR 302 Ca 0.05 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2wb4 h TYR 302 Cb 0.57 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 2wb4 h TYR 302 CO -0.33 0.59 0.55 1.98 -1.64 0.00 0.00 178.16 179.31 2wb4 h MET 303 N 0.81 1.07 -0.45 1.82 4.05 -1.04 -2.48 114.93 118.71 2wb4 h MET 303 Ca 0.21 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.45 2wb4 h MET 303 Cb 0.04 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 2wb4 h MET 303 CO -0.03 0.71 -0.18 1.79 0.23 0.00 0.00 176.91 179.42 2wb4 h THR 304 N 1.10 1.27 -0.83 -0.77 1.35 -0.55 0.19 112.91 114.67 2wb4 h THR 304 Ca 0.32 -1.32 0.12 0.00 -0.55 0.00 0.00 66.41 64.98 2wb4 h THR 304 Cb -0.06 1.17 -0.08 0.00 -1.73 0.00 0.00 68.15 67.44 2wb4 h THR 304 CO -0.09 0.45 0.45 1.23 -0.25 0.00 0.00 175.52 177.32 2wb4 h GLY 305 N 0.76 1.32 0.95 5.82 0.00 -1.28 0.79 103.07 111.43 2wb4 h GLY 305 Ca 0.11 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 46.97 2wb4 h GLY 305 CO 0.06 0.05 -0.69 1.46 0.00 0.00 0.00 176.54 177.42 2wb4 h GLN 306 N 0.71 0.56 -0.48 4.80 1.08 -1.15 -3.12 115.11 117.51 2wb4 h GLN 306 Ca 0.43 -0.53 0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2wb4 h GLN 306 Cb 0.50 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 2wb4 h GLN 306 CO -0.30 1.16 0.32 1.25 -0.95 0.00 0.00 178.83 180.30 2wb4 h LEU 307 N 0.15 0.38 0.08 1.46 5.85 -0.07 -1.46 115.31 121.71 2wb4 h LEU 307 Ca -0.07 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2wb4 h LEU 307 Cb 1.35 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2wb4 h LEU 307 CO 0.14 0.25 -0.04 0.44 -0.34 0.00 0.00 178.44 178.89 2wb4 h ASP 308 N 0.44 -0.09 -0.43 1.25 5.19 -0.80 -1.20 116.42 120.77 2wb4 h ASP 308 Ca 0.20 -0.19 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 2wb4 h ASP 308 Cb 0.25 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 2wb4 h ASP 308 CO -0.05 0.14 0.05 0.28 -3.12 0.00 0.00 179.24 176.54 2wb4 h SER 309 N -0.33 0.76 -0.15 6.45 0.02 -1.42 -1.36 113.55 117.52 2wb4 h SER 309 Ca -0.01 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2wb4 h SER 309 Cb 0.28 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2wb4 h SER 309 CO 0.02 0.79 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.41 2wb4 h LEU 310 N 0.76 0.28 -0.72 5.07 3.38 -1.19 -2.04 115.31 120.85 2wb4 h LEU 310 Ca 0.16 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2wb4 h LEU 310 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2wb4 h LEU 310 CO 0.01 0.56 -0.23 0.58 0.09 0.00 0.00 178.44 179.45 2wb4 h VAL 311 N -0.00 1.27 0.29 1.22 2.07 -1.10 -1.59 116.25 118.40 2wb4 h VAL 311 Ca 0.04 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2wb4 h VAL 311 Cb 0.43 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2wb4 h VAL 311 CO 0.01 0.44 -0.14 0.50 0.02 0.00 0.00 177.57 178.41 2wb4 h LYS 312 N 0.64 -0.37 -0.38 1.57 3.64 -1.21 -1.58 116.57 118.89 2wb4 h LYS 312 Ca 0.09 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 2wb4 h LYS 312 Cb 0.73 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2wb4 h LYS 312 CO 0.06 -0.24 0.26 -0.09 -2.27 0.00 0.00 179.45 177.17 2wb4 h ARG 313 N -0.39 0.12 -0.44 1.90 2.43 -1.18 -1.16 114.38 115.66 2wb4 h ARG 313 Ca -0.04 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 2wb4 h ARG 313 Cb 0.30 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2wb4 h ARG 313 CO 0.06 0.08 -0.10 0.00 -1.51 0.00 0.00 179.97 178.51 2wb4 h ALA 314 N 1.81 0.60 -0.00 2.80 0.00 -0.69 -3.26 119.26 120.51 2wb4 h ALA 314 Ca 0.18 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2wb4 h ALA 314 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2wb4 h ALA 314 CO -0.02 0.48 -0.61 1.79 0.00 0.00 0.00 179.25 180.90 2wb4 h THR 315 N 0.67 1.43 -0.13 0.00 1.35 -0.26 -2.71 112.91 113.26 2wb4 h THR 315 Ca 0.11 -2.07 -0.01 0.00 -0.55 0.00 0.00 66.41 63.89 2wb4 h THR 315 Cb 0.63 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 2wb4 h THR 315 CO 0.04 0.59 0.01 0.18 -0.25 0.00 0.00 175.52 176.10 2wb4 n LEU 316 N -3.82 2.22 -0.34 3.87 4.77 -0.88 -3.47 117.00 119.36 2wb4 n LEU 316 Ca -0.01 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 2wb4 n LEU 316 Cb 0.61 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2wb4 n LEU 316 CO 0.42 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2wb4 n GLY 317 N 0.14 -3.05 0.00 -0.72 0.00 -1.02 -5.06 105.19 95.47 2wb4 n GLY 317 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.20 0.99 3.68 -0.02 0.00 -1.26 -4.79 105.19 104.00 2wb4 n GLY 318 Ca 0.00 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2wb4 n GLY 318 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb4 s ASP 319 N -1.62 6.43 0.71 1.61 1.01 -1.26 -4.73 116.67 118.82 2wb4 s ASP 319 Ca 0.00 2.73 -0.15 0.00 0.71 0.00 0.00 52.55 55.85 2wb4 s ASP 319 Cb 0.00 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.40 2wb4 s ASP 319 CO 0.00 -1.02 1.16 -2.16 0.21 0.00 0.00 175.17 173.36 2wb4 s PRO 320 N 3.22 2.36 -0.02 8.23 0.04 -1.26 -4.13 135.00 143.44 2wb4 s PRO 320 Ca 0.83 1.60 0.06 0.00 0.04 0.00 0.00 61.00 63.53 2wb4 s PRO 320 Cb -0.45 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 2wb4 s PRO 320 CO 0.38 -1.63 -0.20 0.08 0.04 0.00 0.00 177.00 175.67 2wb4 s VAL 321 N -2.16 1.58 0.24 -0.36 1.01 -1.26 -0.76 120.40 118.69 2wb4 s VAL 321 Ca 0.71 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2wb4 s VAL 321 Cb -0.25 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2wb4 s VAL 321 CO 0.44 0.45 -0.08 -0.44 0.00 0.00 0.00 175.10 175.48 2wb4 s SER 322 N -0.46 4.24 -0.02 3.32 0.01 -0.63 -1.45 113.70 118.71 2wb4 s SER 322 Ca 0.08 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.64 2wb4 s SER 322 Cb -0.08 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.48 2wb4 s SER 322 CO -0.01 0.04 -0.03 0.00 0.41 0.00 0.00 173.24 173.65 2wb4 s ALA 323 N -2.17 0.44 -0.15 1.44 0.00 0.04 -0.86 121.76 120.51 2wb4 s ALA 323 Ca 0.29 -0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.16 2wb4 s ALA 323 Cb -0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2wb4 s ALA 323 CO 0.17 0.02 0.02 -0.51 0.00 0.00 0.00 175.76 175.46 2wb4 s LEU 324 N 0.50 3.60 -0.22 0.00 1.02 0.77 -1.59 118.68 122.76 2wb4 s LEU 324 Ca -0.06 0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.15 2wb4 s LEU 324 Cb -0.09 -1.87 0.03 0.00 0.02 0.00 0.00 46.19 44.28 2wb4 s LEU 324 CO -0.01 0.24 -0.14 -0.22 0.02 0.00 0.00 176.35 176.24 2wb4 s LEU 325 N -0.03 2.77 -0.14 1.79 2.96 0.36 -0.65 118.68 125.74 2wb4 s LEU 325 Ca 0.04 -0.91 -0.00 0.00 -0.22 0.00 0.00 54.13 53.04 2wb4 s LEU 325 Cb -0.13 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 2wb4 s LEU 325 CO 0.02 -0.08 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.20 2wb4 s ILE 326 N 1.25 2.91 -0.11 6.68 1.01 0.75 -0.52 121.20 133.17 2wb4 s ILE 326 Ca -0.00 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2wb4 s ILE 326 Cb -0.16 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.10 2wb4 s ILE 326 CO -0.09 0.51 -0.14 -0.62 0.00 0.00 0.00 174.94 174.61 2wb4 s ASP 327 N 0.60 2.34 0.09 3.58 -1.08 -0.69 -0.81 116.67 120.69 2wb4 s ASP 327 Ca -0.08 -0.40 -0.30 0.00 -0.52 0.00 0.00 52.55 51.25 2wb4 s ASP 327 Cb -0.16 -1.04 -0.06 0.00 -1.46 0.00 0.00 42.92 40.21 2wb4 s ASP 327 CO 0.03 0.00 1.17 -0.63 0.52 0.00 0.00 175.17 176.26 2wb4 s ILE 328 N 1.04 4.02 0.17 4.11 1.01 -1.07 -1.75 121.20 128.73 2wb4 s ILE 328 Ca -0.06 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 61.80 2wb4 s ILE 328 Cb -0.15 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2wb4 s ILE 328 CO -0.02 0.15 1.02 -1.81 0.00 0.00 0.00 174.94 174.28 2wb4 s ASP 329 N 0.80 7.43 -1.46 3.58 1.01 -0.92 -3.80 116.67 123.31 2wb4 s ASP 329 Ca 0.56 1.97 -0.05 0.00 0.71 0.00 0.00 52.55 55.74 2wb4 s ASP 329 Cb -0.29 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.06 2wb4 s ASP 329 CO 0.31 -0.08 0.50 0.49 0.21 0.00 0.00 175.17 176.59 2wb4 n PHE 330 N 2.24 -1.83 0.35 4.23 3.72 -1.26 -4.78 117.46 120.14 2wb4 n PHE 330 Ca 0.01 0.44 0.12 0.00 -0.05 0.00 0.00 57.45 57.98 2wb4 n PHE 330 Cb 0.47 -3.90 0.52 0.00 -0.94 0.00 0.00 39.48 35.64 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 -1.09 0.00 0.03 1.38 3.57 -1.98 -2.83 116.94 116.01 2wb4 h PHE 331 Ca -0.48 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.01 2wb4 h PHE 331 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2wb4 h PHE 331 CO 0.59 0.00 -0.02 0.87 -2.23 0.00 0.00 178.31 177.52 2wb4 h LYS 332 N 0.00 -0.04 -1.14 1.11 1.57 -1.92 -2.89 116.57 113.26 2wb4 h LYS 332 Ca 0.00 0.00 0.34 0.00 -1.87 0.00 0.00 60.65 59.12 2wb4 h LYS 332 Cb 0.31 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.51 2wb4 h LYS 332 CO 0.00 0.64 0.72 0.87 -0.57 0.00 0.00 179.45 181.11 2wb4 h LYS 333 N -0.89 0.26 0.84 3.15 1.57 -1.90 0.90 116.57 120.50 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 0.71 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.97 2wb4 h LYS 333 CO 0.01 0.17 -0.40 0.82 -0.57 0.00 0.00 179.45 179.47 2wb4 h ILE 334 N 0.27 0.00 -0.64 1.86 2.04 -1.60 0.13 117.51 119.57 2wb4 h ILE 334 Ca 0.71 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 66.53 2wb4 h ILE 334 Cb 1.93 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2wb4 h ILE 334 CO -0.40 0.00 0.42 0.78 0.00 0.00 0.00 178.15 178.95 2wb4 h ASN 335 N -1.25 0.45 -0.04 1.72 2.35 -0.40 0.10 115.58 118.51 2wb4 h ASN 335 Ca -0.12 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 2wb4 h ASN 335 Cb 0.87 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2wb4 h ASN 335 CO 0.19 0.28 -0.21 0.44 -1.65 0.00 0.00 177.43 176.47 2wb4 h ASP 336 N 0.51 0.26 0.09 5.81 3.32 0.74 -1.91 116.42 125.24 2wb4 h ASP 336 Ca 0.29 -0.66 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 2wb4 h ASP 336 Cb 0.47 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2wb4 h ASP 336 CO -0.09 0.88 -0.04 0.74 -1.72 0.00 0.00 179.24 179.01 2wb4 h THR 337 N -0.34 1.05 -0.01 0.35 2.02 -0.34 -3.37 112.91 112.27 2wb4 h THR 337 Ca -0.01 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.77 2wb4 h THR 337 Cb 0.87 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2wb4 h THR 337 CO 0.04 0.30 -0.48 0.49 0.37 0.00 0.00 175.52 176.24 2wb4 n PHE 338 N -4.83 0.00 0.00 3.16 3.72 0.33 -5.07 117.46 114.76 2wb4 n PHE 338 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2wb4 n PHE 338 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 1.39 0.72 0.23 1.37 0.00 -0.72 -4.49 105.19 103.68 2wb4 n GLY 339 Ca 0.09 -1.75 0.15 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.42 1.61 3.86 -1.89 -2.82 115.15 115.49 2wb4 h HIS 340 Ca 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 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 -0.30 -0.44 0.86 0.00 0.00 177.93 178.05 2wb4 h ASP 341 N 0.00 1.00 0.53 2.45 3.32 -1.94 -1.14 116.42 120.64 2wb4 h ASP 341 Ca 0.00 -0.43 -0.21 0.00 0.02 0.00 0.00 57.03 56.40 2wb4 h ASP 341 Cb 0.50 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2wb4 h ASP 341 CO 0.00 1.22 -0.93 0.40 -1.72 0.00 0.00 179.24 178.21 2wb4 h ILE 342 N 0.78 1.47 -0.72 0.35 2.04 -1.75 -2.97 117.51 116.72 2wb4 h ILE 342 Ca 0.08 -2.63 0.08 0.00 1.00 0.00 0.00 64.86 63.40 2wb4 h ILE 342 Cb 0.89 2.50 -0.07 0.00 -0.74 0.00 0.00 36.82 39.41 2wb4 h ILE 342 CO 0.08 0.77 0.37 1.23 0.00 0.00 0.00 178.15 180.61 2wb4 h GLY 343 N 1.68 1.07 1.56 5.37 0.00 -1.42 0.30 103.07 111.63 2wb4 h GLY 343 Ca -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2wb4 h GLY 343 CO 0.15 0.09 0.19 -0.55 0.00 0.00 0.00 176.54 176.42 2wb4 h ASP 344 N 0.65 0.52 -0.19 0.19 5.19 -1.09 -2.33 116.42 119.35 2wb4 h ASP 344 Ca 0.34 -0.04 -0.21 0.00 -0.62 0.00 0.00 57.03 56.50 2wb4 h ASP 344 Cb 0.32 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.71 2wb4 h ASP 344 CO -0.24 0.45 -0.68 -0.33 -3.12 0.00 0.00 179.24 175.32 2wb4 h GLU 345 N 0.58 0.82 -0.72 3.56 4.39 -1.18 -2.04 114.58 119.99 2wb4 h GLU 345 Ca 0.15 -0.60 0.08 0.00 0.34 0.00 0.00 59.36 59.33 2wb4 h GLU 345 Cb 0.08 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.76 2wb4 h GLU 345 CO -0.02 1.22 0.38 0.28 -1.16 0.00 0.00 179.01 179.71 2wb4 h VAL 346 N 0.59 0.89 -0.01 3.13 2.07 -0.68 -0.62 116.25 121.62 2wb4 h VAL 346 Ca -0.02 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 2wb4 h VAL 346 Cb 1.30 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2wb4 h VAL 346 CO 0.14 0.12 -0.55 -0.07 0.02 0.00 0.00 177.57 177.23 2wb4 h LEU 347 N 0.66 0.03 -0.04 2.57 3.38 -1.29 -1.50 115.31 119.12 2wb4 h LEU 347 Ca 0.35 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 2wb4 h LEU 347 Cb 0.32 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2wb4 h LEU 347 CO -0.24 0.58 -0.47 0.03 0.09 0.00 0.00 178.44 178.42 2wb4 h ARG 348 N 0.02 0.40 0.13 1.13 3.08 -0.96 -2.17 114.38 116.01 2wb4 h ARG 348 Ca -0.00 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 2wb4 h ARG 348 Cb 0.98 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2wb4 h ARG 348 CO 0.07 1.03 -0.06 1.49 -1.07 0.00 0.00 179.97 181.43 2wb4 h GLU 349 N -0.10 -0.17 -0.89 0.04 4.81 -1.07 -2.95 114.58 114.25 2wb4 h GLU 349 Ca -0.05 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2wb4 h GLU 349 Cb 1.16 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.49 2wb4 h GLU 349 CO 0.10 0.04 0.51 0.35 -0.73 0.00 0.00 179.01 179.27 2wb4 h PHE 350 N -0.36 0.91 -0.95 0.92 3.04 -1.32 0.11 116.94 119.28 2wb4 h PHE 350 Ca -0.02 0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.07 2wb4 h PHE 350 Cb 0.29 -0.27 -0.08 0.00 2.56 0.00 0.00 35.95 38.45 2wb4 h PHE 350 CO -0.01 0.31 0.59 0.00 -2.02 0.00 0.00 178.31 177.18 2wb4 h ALA 351 N 1.52 1.40 -0.11 2.41 0.00 -1.29 -1.44 119.26 121.76 2wb4 h ALA 351 Ca 0.45 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.19 2wb4 h ALA 351 Cb 0.52 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wb4 h ALA 351 CO -0.30 0.21 -0.72 -0.07 0.00 0.00 0.00 179.25 178.37 2wb4 h LEU 352 N 0.96 0.64 -1.00 0.00 3.38 -0.65 -1.87 115.31 116.77 2wb4 h LEU 352 Ca 0.46 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2wb4 h LEU 352 Cb 0.42 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2wb4 h LEU 352 CO -0.25 1.16 0.42 0.03 0.09 0.00 0.00 178.44 179.89 2wb4 h ARG 353 N 0.38 1.13 0.56 1.13 3.08 -0.74 -2.62 114.38 117.29 2wb4 h ARG 353 Ca -0.03 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 2wb4 h ARG 353 Cb 1.31 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 31.15 2wb4 h ARG 353 CO 0.13 0.84 -0.27 1.25 -1.07 0.00 0.00 179.97 180.86 2wb4 h LEU 354 N 1.13 -0.63 -1.03 3.04 5.85 -1.15 -2.61 115.31 119.91 2wb4 h LEU 354 Ca 0.28 -0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.16 2wb4 h LEU 354 Cb 0.06 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 2wb4 h LEU 354 CO -0.04 -0.26 0.61 0.00 -0.34 0.00 0.00 178.44 178.41 2wb4 h ALA 355 N -0.88 1.70 -0.00 1.25 0.00 -1.30 -1.10 119.26 118.94 2wb4 h ALA 355 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wb4 h ALA 355 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wb4 h ALA 355 CO 0.13 -0.08 -0.27 -1.13 0.00 0.00 0.00 179.25 177.90 2wb4 n SER 356 N -4.76 0.31 -1.62 0.00 3.41 -0.99 -3.74 113.62 106.22 2wb4 n SER 356 Ca 0.23 0.01 -0.05 0.00 -0.26 0.00 0.00 58.87 58.81 2wb4 n SER 356 Cb 0.59 -0.07 0.26 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.45 3.99 -3.78 4.04 3.02 -0.42 -4.95 115.26 115.71 2wb4 n ASN 357 Ca 0.07 -3.36 -0.13 0.00 -0.03 0.00 0.00 54.58 51.13 2wb4 n ASN 357 Cb 0.33 -0.69 -0.09 0.00 -0.61 0.00 0.00 39.78 38.72 2wb4 n ASN 357 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2wb4 s VAL 358 N -3.06 0.05 0.80 2.41 -7.23 -1.23 -4.91 120.40 107.23 2wb4 s VAL 358 Ca 0.51 -0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 60.17 2wb4 s VAL 358 Cb 0.42 -0.54 0.08 0.00 0.56 0.00 0.00 36.38 36.89 2wb4 s VAL 358 CO 0.09 -0.22 1.11 -0.13 -0.31 0.00 0.00 175.10 175.64 2wb4 s ARG 359 N -0.99 1.96 0.39 4.82 0.52 -1.26 -4.91 118.95 119.48 2wb4 s ARG 359 Ca -0.11 1.31 0.20 0.00 -0.52 0.00 0.00 55.73 56.62 2wb4 s ARG 359 Cb -0.05 -1.85 0.72 0.00 0.52 0.00 0.00 34.95 34.29 2wb4 s ARG 359 CO 0.03 -1.89 1.75 0.00 0.02 0.00 0.00 175.30 175.20 2wb4 h ALA 360 N -1.21 0.98 0.00 2.13 0.00 -2.00 -1.79 119.26 117.37 2wb4 h ALA 360 Ca -0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 2wb4 h ALA 360 Cb 1.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wb4 h ALA 360 CO 0.49 0.41 -0.05 0.97 0.00 0.00 0.00 179.25 181.06 2wb4 h ILE 361 N 0.00 0.15 -4.25 0.00 6.09 -1.98 -3.44 117.51 114.08 2wb4 h ILE 361 Ca -0.00 -0.62 -0.50 0.00 -1.37 0.00 0.00 64.86 62.37 2wb4 h ILE 361 Cb 0.88 1.53 0.13 0.00 0.47 0.00 0.00 36.82 39.83 2wb4 h ILE 361 CO 0.04 0.05 0.31 -1.81 -3.07 0.00 0.00 178.15 173.67 2wb4 s ASP 362 N -5.80 4.35 -0.41 2.19 1.01 -0.67 -4.67 116.67 112.66 2wb4 s ASP 362 Ca 0.01 1.65 0.01 0.00 0.71 0.00 0.00 52.55 54.93 2wb4 s ASP 362 Cb 0.10 -2.37 0.13 0.00 1.01 0.00 0.00 42.92 41.78 2wb4 s ASP 362 CO 0.56 -2.11 0.21 -0.22 0.21 0.00 0.00 175.17 173.82 2wb4 s LEU 363 N -5.94 2.49 0.14 1.23 2.96 -0.19 -4.96 118.68 114.42 2wb4 s LEU 363 Ca 0.61 -2.42 -0.23 0.00 -0.22 0.00 0.00 54.13 51.88 2wb4 s LEU 363 Cb -0.17 -0.96 -0.08 0.00 0.50 0.00 0.00 46.19 45.49 2wb4 s LEU 363 CO 0.56 -0.30 0.70 -2.16 -1.32 0.00 0.00 176.35 173.83 2wb4 s PRO 364 N 0.64 4.42 0.15 0.98 0.04 -1.26 -1.46 135.00 138.50 2wb4 s PRO 364 Ca 0.16 0.99 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 2wb4 s PRO 364 Cb -0.23 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2wb4 s PRO 364 CO -0.04 0.58 0.31 0.00 0.04 0.00 0.00 177.00 177.89 2wb4 s ARG 366 N -3.92 3.60 -0.22 0.00 6.06 -0.93 -1.41 118.95 122.13 2wb4 s ARG 366 Ca 0.12 0.28 -0.19 0.00 -2.50 0.00 0.00 55.73 53.44 2wb4 s ARG 366 Cb 0.03 -3.91 -0.16 0.00 0.06 0.00 0.00 34.95 30.97 2wb4 s ARG 366 CO -0.04 -1.20 0.04 0.98 -2.50 0.00 0.00 175.30 172.58 2wb4 n TYR 367 N 7.20 0.73 -4.03 5.12 9.36 -0.40 -3.16 117.16 131.97 2wb4 n TYR 367 Ca 0.07 0.32 -0.08 0.00 3.32 0.00 0.00 57.90 61.53 2wb4 n TYR 367 Cb 0.48 -1.05 -0.03 0.00 -0.63 0.00 0.00 39.34 38.12 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 1.39 3.37 0.23 2.98 0.00 -0.75 -4.78 105.19 107.64 2wb4 n GLY 368 Ca -0.37 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.25 -2.34 0.50 -0.02 0.00 -1.26 -2.19 105.19 99.61 2wb4 n GLY 369 Ca 0.02 0.83 0.08 0.00 0.00 0.00 0.00 46.02 46.95 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 -4.30 1.88 -4.86 1.61 0.28 -1.26 -5.02 120.64 108.97 2wb4 n GLU 370 Ca 0.01 -2.80 -0.28 0.00 -0.16 0.00 0.00 57.16 53.92 2wb4 n GLU 370 Cb 0.14 -1.65 -0.15 0.00 1.43 0.00 0.00 31.44 31.21 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 -2.94 1.67 0.08 3.44 2.02 -0.93 -2.61 118.70 119.43 2wb4 s GLU 371 Ca 0.37 -1.01 0.05 0.00 0.02 0.00 0.00 54.97 54.40 2wb4 s GLU 371 Cb 0.32 -1.79 -0.03 0.00 0.10 0.00 0.00 34.13 32.73 2wb4 s GLU 371 CO 0.03 0.47 -0.13 -0.06 0.02 0.00 0.00 175.26 175.60 2wb4 s PHE 372 N -0.76 1.13 -0.02 1.61 0.08 0.01 -1.28 117.98 118.75 2wb4 s PHE 372 Ca 0.10 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.68 2wb4 s PHE 372 Cb -0.09 -0.63 -0.01 0.00 -0.57 0.00 0.00 43.02 41.72 2wb4 s PHE 372 CO 0.01 0.04 -0.14 0.08 -0.10 0.00 0.00 175.22 175.11 2wb4 s VAL 373 N -1.60 1.15 -0.12 -0.44 1.01 -0.50 -0.18 120.40 119.72 2wb4 s VAL 373 Ca -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2wb4 s VAL 373 Cb -0.08 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2wb4 s VAL 373 CO 0.02 0.33 -0.18 -0.69 0.00 0.00 0.00 175.10 174.58 2wb4 s VAL 374 N -0.09 2.60 -0.24 2.92 1.01 0.17 -0.58 120.40 126.20 2wb4 s VAL 374 Ca 0.01 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 2wb4 s VAL 374 Cb -0.08 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2wb4 s VAL 374 CO 0.01 0.54 0.14 -0.63 0.00 0.00 0.00 175.10 175.15 2wb4 s ILE 375 N 0.37 5.08 -0.43 2.22 -1.09 -0.53 -0.16 121.20 126.66 2wb4 s ILE 375 Ca -0.14 0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 2wb4 s ILE 375 Cb -0.17 -3.37 0.12 0.00 -1.58 0.00 0.00 42.46 37.46 2wb4 s ILE 375 CO 0.07 0.34 0.18 -0.04 -1.23 0.00 0.00 174.94 174.26 2wb4 s MET 376 N 1.22 1.86 0.90 2.79 -1.94 -0.04 -1.02 119.30 123.07 2wb4 s MET 376 Ca 0.06 -2.08 -0.11 0.00 -1.71 0.00 0.00 55.69 51.86 2wb4 s MET 376 Cb -0.14 -3.41 0.14 0.00 2.01 0.00 0.00 34.83 33.43 2wb4 s MET 376 CO 0.05 -1.04 1.16 -2.14 -0.01 0.00 0.00 175.02 173.04 2wb4 s PRO 377 N 0.63 1.10 -1.61 2.03 0.02 -1.26 -1.60 135.00 134.31 2wb4 s PRO 377 Ca 0.12 1.60 -0.12 0.00 0.02 0.00 0.00 61.00 62.62 2wb4 s PRO 377 Cb -0.22 -1.73 0.11 0.00 0.02 0.00 0.00 34.50 32.68 2wb4 s PRO 377 CO -0.05 -2.58 0.64 -3.47 -0.33 0.00 0.00 177.00 171.20 2wb4 n ASP 378 N -4.08 -2.20 -3.75 2.53 2.03 0.06 -4.84 116.55 106.29 2wb4 n ASP 378 Ca 0.12 -1.03 -0.20 0.00 0.52 0.00 0.00 54.79 54.21 2wb4 n ASP 378 Cb 0.52 -2.76 -0.17 0.00 -0.72 0.00 0.00 41.12 37.98 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 -3.54 0.14 0.74 5.18 2.01 -0.92 -4.92 115.64 114.33 2wb4 s THR 379 Ca 0.49 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.68 2wb4 s THR 379 Cb -0.27 -0.31 0.13 0.00 0.01 0.00 0.00 72.50 72.06 2wb4 s THR 379 CO 0.92 0.19 1.02 0.00 -0.69 0.00 0.00 174.62 176.06 2wb4 s ALA 380 N 1.69 3.53 0.23 7.40 0.00 -1.26 -3.14 121.76 130.20 2wb4 s ALA 380 Ca -0.00 -1.62 -0.06 0.00 0.00 0.00 0.00 51.96 50.28 2wb4 s ALA 380 Cb -0.13 -2.12 0.21 0.00 0.00 0.00 0.00 23.12 21.08 2wb4 s ALA 380 CO -0.03 -1.53 1.77 1.25 0.00 0.00 0.00 175.76 177.22 2wb4 h LEU 381 N -0.63 1.01 0.28 0.00 5.85 -1.95 -2.79 115.31 117.09 2wb4 h LEU 381 Ca -0.38 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 2wb4 h LEU 381 Cb 1.27 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2wb4 h LEU 381 CO 0.41 0.94 -0.13 0.00 -0.34 0.00 0.00 178.44 179.32 2wb4 h ALA 382 N 1.19 -0.37 -0.92 1.25 0.00 -2.00 -1.49 119.26 116.92 2wb4 h ALA 382 Ca 0.23 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2wb4 h ALA 382 Cb 0.29 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2wb4 h ALA 382 CO -0.01 -0.66 0.59 -0.44 0.00 0.00 0.00 179.25 178.73 2wb4 h ASP 383 N -0.47 0.82 -0.21 0.00 3.32 -1.95 -1.88 116.42 116.04 2wb4 h ASP 383 Ca -0.04 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 2wb4 h ASP 383 Cb 0.35 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2wb4 h ASP 383 CO 0.06 0.46 -0.11 0.00 -1.72 0.00 0.00 179.24 177.94 2wb4 h ALA 384 N 1.55 1.16 0.00 3.45 0.00 -1.20 -0.15 119.26 124.09 2wb4 h ALA 384 Ca 0.44 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2wb4 h ALA 384 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2wb4 h ALA 384 CO -0.20 0.53 -0.41 -0.07 0.00 0.00 0.00 179.25 179.10 2wb4 h LEU 385 N 0.55 0.00 0.08 0.00 3.38 -0.48 -1.11 115.31 117.72 2wb4 h LEU 385 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2wb4 h LEU 385 Cb 0.52 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.28 2wb4 h LEU 385 CO 0.03 0.41 -0.63 -0.09 0.09 0.00 0.00 178.44 178.25 2wb4 h ARG 386 N 0.00 0.29 -0.87 1.13 2.43 -0.97 -2.52 114.38 113.87 2wb4 h ARG 386 Ca -0.00 -0.42 0.08 0.00 -0.81 0.00 0.00 59.98 58.83 2wb4 h ARG 386 Cb 0.89 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 2wb4 h ARG 386 CO 0.05 1.15 0.52 0.82 -1.51 0.00 0.00 179.97 181.01 2wb4 h ILE 387 N -0.37 0.98 -0.26 1.20 2.04 -1.00 -1.35 117.51 118.76 2wb4 h ILE 387 Ca -0.10 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 2wb4 h ILE 387 Cb 1.44 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2wb4 h ILE 387 CO 0.12 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.39 2wb4 h ALA 388 N 1.44 0.36 -0.79 1.87 0.00 -1.22 -2.03 119.26 118.89 2wb4 h ALA 388 Ca 0.40 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wb4 h ALA 388 Cb 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2wb4 h ALA 388 CO -0.21 0.15 0.37 1.49 0.00 0.00 0.00 179.25 181.05 2wb4 h GLU 389 N 0.25 1.14 0.17 0.00 4.57 -1.26 -0.04 114.58 119.41 2wb4 h GLU 389 Ca 0.07 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2wb4 h GLU 389 Cb 0.51 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2wb4 h GLU 389 CO 0.02 0.88 -0.22 -0.09 -1.18 0.00 0.00 179.01 178.43 2wb4 h ARG 390 N 1.13 -0.43 -0.84 1.92 2.43 -1.10 -2.54 114.38 114.95 2wb4 h ARG 390 Ca 0.27 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 2wb4 h ARG 390 Cb 0.12 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 2wb4 h ARG 390 CO -0.03 -0.28 0.53 0.82 -1.51 0.00 0.00 179.97 179.49 2wb4 h ILE 391 N -0.44 1.08 -0.27 1.20 2.04 -0.71 -2.21 117.51 118.19 2wb4 h ILE 391 Ca 0.01 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.56 2wb4 h ILE 391 Cb 0.44 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 2wb4 h ILE 391 CO -0.08 0.18 0.08 -0.09 0.00 0.00 0.00 178.15 178.24 2wb4 h ARG 392 N 0.99 0.19 -0.02 2.37 2.43 -0.89 -2.42 114.38 117.03 2wb4 h ARG 392 Ca 0.35 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 2wb4 h ARG 392 Cb 0.10 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2wb4 h ARG 392 CO -0.15 0.13 -0.50 0.52 -1.51 0.00 0.00 179.97 178.46 2wb4 h MET 393 N 0.20 0.04 -0.77 0.20 2.86 -1.09 -1.78 114.93 114.59 2wb4 h MET 393 Ca 0.12 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.81 2wb4 h MET 393 Cb 0.10 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2wb4 h MET 393 CO -0.14 0.54 0.45 1.25 1.06 0.00 0.00 176.91 180.07 2wb4 h HIS 394 N 0.04 0.82 0.17 -0.22 2.76 -0.97 0.38 115.15 118.13 2wb4 h HIS 394 Ca -0.00 0.03 -0.30 0.00 -2.20 0.00 0.00 60.37 57.90 2wb4 h HIS 394 Cb 0.90 -0.26 0.01 0.00 1.55 0.00 0.00 27.41 29.62 2wb4 h HIS 394 CO 0.00 0.38 -1.36 -0.39 -1.30 0.00 0.00 177.93 175.27 2wb4 h VAL 395 N 0.80 1.38 -0.00 5.26 -1.51 -0.91 -3.30 116.25 117.97 2wb4 h VAL 395 Ca 0.35 -2.91 0.00 0.00 -1.23 0.00 0.00 66.70 62.91 2wb4 h VAL 395 Cb 0.24 2.95 0.00 0.00 -2.13 0.00 0.00 31.29 32.35 2wb4 h VAL 395 CO -0.20 0.86 -0.10 -1.54 -1.23 0.00 0.00 177.57 175.36 2wb4 n SER 396 N -3.58 0.12 0.04 4.19 3.41 -0.74 -4.17 113.62 112.89 2wb4 n SER 396 Ca -0.12 0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 58.56 2wb4 n SER 396 Cb 1.05 -0.33 -0.14 0.00 -0.26 0.00 0.00 64.21 64.53 2wb4 n SER 396 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wb4 h GLY 397 N 5.00 0.34 -5.83 5.00 0.00 -0.31 -3.46 103.07 103.82 2wb4 h GLY 397 Ca 0.00 -0.88 -0.47 0.00 0.00 0.00 0.00 47.33 45.98 2wb4 h GLY 397 CO 0.00 0.77 -0.80 -1.35 0.00 0.00 0.00 176.54 175.16 2wb4 s SER 398 N -7.07 1.48 1.12 0.19 1.04 -1.26 -5.07 113.70 104.12 2wb4 s SER 398 Ca -0.17 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.90 2wb4 s SER 398 Cb 0.06 -0.61 0.26 0.00 0.10 0.00 0.00 66.02 65.83 2wb4 s SER 398 CO 0.82 0.03 1.05 -2.16 0.98 0.00 0.00 173.24 173.96 2wb4 s PRO 399 N 0.57 -0.56 0.10 4.02 0.04 -1.26 -4.88 135.00 133.03 2wb4 s PRO 399 Ca -0.11 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.73 2wb4 s PRO 399 Cb -0.14 -1.58 -0.07 0.00 0.04 0.00 0.00 34.50 32.76 2wb4 s PRO 399 CO 0.02 -3.55 0.76 -0.06 0.04 0.00 0.00 177.00 174.21 2wb4 s PHE 400 N -2.47 3.82 0.56 0.56 2.99 -1.26 -4.95 117.98 117.23 2wb4 s PHE 400 Ca 0.68 1.54 0.45 0.00 0.00 0.00 0.00 56.93 59.60 2wb4 s PHE 400 Cb -0.25 -2.78 1.63 0.00 0.00 0.00 0.00 43.02 41.62 2wb4 s PHE 400 CO 0.63 0.40 1.60 1.15 -0.00 0.00 0.00 175.22 179.01 2wb4 h THR 401 N 3.72 0.09 0.00 0.64 2.02 -2.01 0.22 112.91 117.59 2wb4 h THR 401 Ca -0.46 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 2wb4 h THR 401 Cb 1.21 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2wb4 h THR 401 CO 0.68 0.00 -0.39 0.58 0.37 0.00 0.00 175.52 176.76 2wb4 h VAL 402 N 0.00 0.18 -0.17 3.16 2.07 -1.95 -3.22 116.25 116.32 2wb4 h VAL 402 Ca 0.82 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2wb4 h VAL 402 Cb 3.38 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 35.11 2wb4 h VAL 402 CO -0.01 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.68 2wb4 n ALA 403 N -2.16 2.51 0.12 1.67 0.00 0.77 -4.55 120.51 118.88 2wb4 n ALA 403 Ca 0.02 -0.57 -0.07 0.00 0.00 0.00 0.00 53.44 52.82 2wb4 n ALA 403 Cb 0.59 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 2wb4 n ALA 403 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wb4 h HIS 404 N 2.56 -0.47 -0.00 0.00 6.17 -1.54 -2.81 115.15 119.05 2wb4 h HIS 404 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2wb4 h HIS 404 Cb 0.56 0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.67 2wb4 h HIS 404 CO 0.11 -0.24 -0.01 0.41 0.71 0.00 0.00 177.93 178.91 2wb4 n GLY 405 N -1.20 -0.88 3.18 5.26 0.00 -1.26 -4.45 105.19 105.83 2wb4 n GLY 405 Ca -0.05 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2wb4 n GLY 405 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wb4 s ARG 406 N -2.07 2.34 0.00 1.61 0.52 -1.06 -4.94 118.95 115.34 2wb4 s ARG 406 Ca 0.44 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 2wb4 s ARG 406 Cb 0.22 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.86 2wb4 s ARG 406 CO 0.38 -1.16 0.26 0.39 0.02 0.00 0.00 175.30 175.19 2wb4 n GLU 407 N 4.79 0.44 -0.04 3.54 1.02 -1.26 -2.94 120.64 126.19 2wb4 n GLU 407 Ca -0.06 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.05 2wb4 n GLU 407 Cb 0.41 -1.23 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 2wb4 n GLU 407 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wb4 n MET 408 N 0.37 1.98 -2.69 3.49 2.81 -1.26 -5.02 117.12 116.80 2wb4 n MET 408 Ca 0.00 -0.02 -0.33 0.00 -1.81 0.00 0.00 57.70 55.54 2wb4 n MET 408 Cb 0.13 -1.27 -0.06 0.00 -0.71 0.00 0.00 33.22 31.32 2wb4 n MET 408 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wb4 s LEU 409 N -4.61 3.87 -0.45 4.03 1.43 -1.15 -5.02 118.68 116.78 2wb4 s LEU 409 Ca -0.05 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 2wb4 s LEU 409 Cb 0.04 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 41.91 2wb4 s LEU 409 CO 0.43 -0.48 0.82 0.20 0.23 0.00 0.00 176.35 177.55 2wb4 s ASN 410 N -2.30 -1.13 -0.43 2.29 -0.87 -1.26 -5.02 114.94 106.21 2wb4 s ASN 410 Ca 0.62 -1.15 -0.29 0.00 -1.57 0.00 0.00 52.86 50.47 2wb4 s ASN 410 Cb -0.10 1.47 0.03 0.00 -0.02 0.00 0.00 41.25 42.62 2wb4 s ASN 410 CO 0.17 -0.06 1.11 -0.69 -2.57 0.00 0.00 177.10 175.07 2wb4 s VAL 411 N 1.14 4.30 0.26 1.60 1.01 -1.26 -5.04 120.40 122.41 2wb4 s VAL 411 Ca 0.25 1.36 0.11 0.00 0.00 0.00 0.00 61.98 63.71 2wb4 s VAL 411 Cb 0.02 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 2wb4 s VAL 411 CO -0.07 -0.85 -0.17 0.42 0.00 0.00 0.00 175.10 174.43 2wb4 s THR 412 N 4.20 2.67 0.23 3.92 -4.23 -1.26 -4.18 115.64 116.99 2wb4 s THR 412 Ca 0.47 -2.23 0.10 0.00 -1.18 0.00 0.00 61.69 58.84 2wb4 s THR 412 Cb -0.09 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 2wb4 s THR 412 CO 0.27 -0.34 -0.17 0.27 -0.54 0.00 0.00 174.62 174.11 2wb4 s ILE 413 N -2.32 2.06 -0.10 2.99 -4.36 -1.26 -2.17 121.20 116.05 2wb4 s ILE 413 Ca 0.29 -2.27 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 2wb4 s ILE 413 Cb -0.06 -2.14 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 2wb4 s ILE 413 CO 0.15 -0.48 -0.20 -0.44 0.24 0.00 0.00 174.94 174.20 2wb4 s SER 414 N -3.33 3.40 -0.02 4.36 0.01 -0.72 -2.92 113.70 114.49 2wb4 s SER 414 Ca 0.25 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 57.10 2wb4 s SER 414 Cb -0.03 -1.37 -0.01 0.00 0.21 0.00 0.00 66.02 64.81 2wb4 s SER 414 CO 0.10 0.18 -0.21 -0.63 0.41 0.00 0.00 173.24 173.09 2wb4 s ILE 415 N 0.23 1.66 -0.11 1.44 1.01 -0.49 -1.71 121.20 123.24 2wb4 s ILE 415 Ca -0.13 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.65 2wb4 s ILE 415 Cb -0.17 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 2wb4 s ILE 415 CO 0.07 0.47 -0.20 -0.83 0.00 0.00 0.00 174.94 174.45 2wb4 s GLY 416 N -0.43 1.40 0.04 6.18 0.00 0.32 -1.92 107.32 112.91 2wb4 s GLY 416 Ca 0.07 -0.95 0.08 0.00 0.00 0.00 0.00 44.72 43.92 2wb4 s GLY 416 CO -0.00 -0.30 -0.21 0.14 0.00 0.00 0.00 173.10 172.72 2wb4 s VAL 417 N 0.30 2.56 0.13 1.40 1.01 -1.05 -0.48 120.40 124.26 2wb4 s VAL 417 Ca -0.15 -1.24 -0.15 0.00 0.00 0.00 0.00 61.98 60.44 2wb4 s VAL 417 Cb -0.17 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.19 2wb4 s VAL 417 CO 0.07 0.36 0.38 -0.55 0.00 0.00 0.00 175.10 175.37 2wb4 s SER 418 N -1.34 -0.19 -0.01 3.32 0.15 -0.62 -2.69 113.70 112.32 2wb4 s SER 418 Ca 0.13 -0.39 -0.10 0.00 0.70 0.00 0.00 55.95 56.29 2wb4 s SER 418 Cb -0.10 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 2wb4 s SER 418 CO 0.04 -0.86 0.20 0.00 1.20 0.00 0.00 173.24 173.83 2wb4 s ALA 419 N -3.82 -0.50 0.80 5.45 0.00 -1.26 -0.78 121.76 121.64 2wb4 s ALA 419 Ca 0.04 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 2wb4 s ALA 419 Cb 0.02 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.22 2wb4 s ALA 419 CO -0.11 -0.21 0.88 0.25 0.00 0.00 0.00 175.76 176.56 2wb4 n THR 420 N 1.56 1.76 -2.53 0.00 -2.24 -0.53 -4.97 114.28 107.33 2wb4 n THR 420 Ca -0.21 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 2wb4 n THR 420 Cb 0.56 -0.98 0.03 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.01 3.92 -0.76 6.98 0.00 -1.26 -4.89 120.51 121.49 2wb4 n ALA 421 Ca 0.12 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 50.11 2wb4 n ALA 421 Cb 0.51 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.44 -1.12 3.68 0.00 0.00 -1.26 -4.72 105.19 101.33 2wb4 n GLY 422 Ca 0.23 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 2wb4 n GLY 422 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wb4 n GLU 423 N -1.44 1.59 0.00 1.61 2.13 -1.23 -2.42 120.64 120.88 2wb4 n GLU 423 Ca 0.00 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.40 2wb4 n GLU 423 Cb 0.00 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.37 2wb4 n GLU 423 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wb4 n GLY 424 N 0.94 3.14 3.87 8.31 0.00 -1.26 -5.08 105.19 115.12 2wb4 n GLY 424 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.52 6.24 0.05 1.61 2.15 -1.01 -5.08 116.67 120.11 2wb4 s ASP 425 Ca 0.00 1.35 -0.07 0.00 0.43 0.00 0.00 52.55 54.26 2wb4 s ASP 425 Cb 0.00 -2.44 -0.01 0.00 -0.30 0.00 0.00 42.92 40.17 2wb4 s ASP 425 CO 0.00 -0.82 0.13 0.42 -0.17 0.00 0.00 175.17 174.73 2wb4 s THR 426 N -3.10 0.13 0.26 1.71 -4.23 -1.26 -4.96 115.64 104.19 2wb4 s THR 426 Ca 0.54 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 2wb4 s THR 426 Cb -0.11 -1.01 0.24 0.00 1.34 0.00 0.00 72.50 72.96 2wb4 s THR 426 CO 0.52 -0.60 1.83 -0.65 -0.54 0.00 0.00 174.62 175.18 2wb4 h PRO 427 N 3.41 0.89 -0.43 3.99 0.11 -1.95 -1.03 132.00 137.00 2wb4 h PRO 427 Ca -0.33 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 2wb4 h PRO 427 Cb 1.19 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2wb4 h PRO 427 CO 0.52 0.59 0.25 0.93 -0.21 0.00 0.00 178.00 180.07 2wb4 h GLU 428 N 0.92 0.59 -0.60 1.05 5.08 -1.99 -1.10 114.58 118.52 2wb4 h GLU 428 Ca 0.43 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.68 2wb4 h GLU 428 Cb 0.36 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2wb4 h GLU 428 CO -0.24 0.46 0.17 0.00 -1.00 0.00 0.00 179.01 178.40 2wb4 h ALA 429 N 1.10 1.17 -0.35 3.43 0.00 -1.77 -1.08 119.26 121.76 2wb4 h ALA 429 Ca 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2wb4 h ALA 429 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2wb4 h ALA 429 CO -0.03 0.57 -0.03 1.25 0.00 0.00 0.00 179.25 181.02 2wb4 h LEU 430 N 0.89 0.63 -0.80 0.00 5.85 -0.88 0.05 115.31 121.06 2wb4 h LEU 430 Ca 0.20 -0.33 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 2wb4 h LEU 430 Cb 0.28 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2wb4 h LEU 430 CO -0.01 0.81 -0.53 -0.07 -0.34 0.00 0.00 178.44 178.30 2wb4 h LEU 431 N 0.44 0.20 -0.72 2.25 3.38 -1.18 -2.74 115.31 116.95 2wb4 h LEU 431 Ca 0.10 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2wb4 h LEU 431 Cb 0.50 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2wb4 h LEU 431 CO 0.02 0.70 -0.36 0.50 0.09 0.00 0.00 178.44 179.39 2wb4 h LYS 432 N 0.14 0.57 -0.55 1.13 3.64 -1.03 -1.10 116.57 119.38 2wb4 h LYS 432 Ca 0.00 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.04 2wb4 h LYS 432 Cb 0.99 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2wb4 h LYS 432 CO 0.08 0.85 0.07 0.00 -2.27 0.00 0.00 179.45 178.18 2wb4 h ARG 433 N 0.48 0.91 -0.40 1.90 3.08 -0.95 -2.01 114.38 117.40 2wb4 h ARG 433 Ca 0.05 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 2wb4 h ARG 433 Cb 0.85 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2wb4 h ARG 433 CO 0.07 0.89 -0.06 0.00 -1.07 0.00 0.00 179.97 179.80 2wb4 h ALA 434 N 0.98 1.15 -0.25 0.04 0.00 -1.40 -2.37 119.26 117.41 2wb4 h ALA 434 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2wb4 h ALA 434 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2wb4 h ALA 434 CO 0.01 0.54 0.04 -0.44 0.00 0.00 0.00 179.25 179.41 2wb4 h ASP 435 N 0.62 0.33 -0.24 0.00 3.32 -0.85 0.23 116.42 119.83 2wb4 h ASP 435 Ca 0.12 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 2wb4 h ASP 435 Cb 0.48 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2wb4 h ASP 435 CO 0.03 0.36 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.32 2wb4 h GLU 436 N 0.36 0.72 -0.19 3.56 4.39 -1.12 -1.42 114.58 120.87 2wb4 h GLU 436 Ca 0.09 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.50 2wb4 h GLU 436 Cb 0.18 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2wb4 h GLU 436 CO -0.00 0.90 0.11 0.78 -1.16 0.00 0.00 179.01 179.63 2wb4 h GLY 437 N 0.98 0.26 1.00 -3.84 0.00 -0.76 -1.35 103.07 99.35 2wb4 h GLY 437 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2wb4 h GLY 437 CO 0.06 0.07 0.29 -2.08 0.00 0.00 0.00 176.54 174.88 2wb4 h VAL 438 N 0.22 1.11 -0.75 4.60 2.07 -0.89 -0.68 116.25 121.94 2wb4 h VAL 438 Ca 0.07 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.44 2wb4 h VAL 438 Cb -0.00 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2wb4 h VAL 438 CO -0.04 0.11 0.46 0.22 0.02 0.00 0.00 177.57 178.34 2wb4 h TYR 439 N 0.60 0.85 -0.20 1.57 3.20 -1.12 -1.84 116.97 120.02 2wb4 h TYR 439 Ca 0.16 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.87 2wb4 h TYR 439 Cb -0.07 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 37.93 2wb4 h TYR 439 CO -0.05 0.44 -0.62 0.37 -1.64 0.00 0.00 178.16 176.67 2wb4 h GLN 440 N 0.85 0.70 -0.95 1.82 4.15 -0.77 -2.65 115.11 118.26 2wb4 h GLN 440 Ca 0.32 -0.48 0.01 0.00 0.77 0.00 0.00 58.65 59.28 2wb4 h GLN 440 Cb 0.13 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.84 2wb4 h GLN 440 CO -0.16 1.10 0.63 0.00 -1.93 0.00 0.00 178.83 178.48 2wb4 h ALA 441 N 0.78 1.22 -0.14 3.38 0.00 -0.66 -2.02 119.26 121.82 2wb4 h ALA 441 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2wb4 h ALA 441 Cb 1.20 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2wb4 h ALA 441 CO 0.12 0.59 -0.51 0.87 0.00 0.00 0.00 179.25 180.33 2wb4 h LYS 442 N 1.28 0.37 0.00 0.00 1.57 -1.27 -2.88 116.57 115.64 2wb4 h LYS 442 Ca 0.35 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2wb4 h LYS 442 Cb -0.13 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2wb4 h LYS 442 CO -0.08 0.79 -0.30 0.00 -0.57 0.00 0.00 179.45 179.29 2wb4 h ALA 443 N 1.17 0.92 -0.05 3.86 0.00 -1.12 -3.14 119.26 120.91 2wb4 h ALA 443 Ca 0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2wb4 h ALA 443 Cb 0.99 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2wb4 h ALA 443 CO 0.09 0.37 -0.40 0.66 0.00 0.00 0.00 179.25 179.96 2wb4 h SER 444 N 0.00 0.10 0.00 0.00 4.64 -1.31 -3.47 113.55 113.51 2wb4 h SER 444 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2wb4 h SER 444 Cb 0.95 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2wb4 h SER 444 CO 0.04 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2wb4 n GLY 445 N -0.30 2.03 0.00 -0.77 0.00 -1.19 -5.13 105.19 99.83 2wb4 n GLY 445 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -3.74 1.61 1.74 -1.09 -4.95 116.66 110.22 2wb4 n ARG 446 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 2wb4 n ARG 446 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 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 0.00 -4.36 -3.70 0.55 5.15 -1.15 -4.97 115.26 106.78 2wb4 n ASN 447 Ca 0.00 -1.02 -0.13 0.00 -0.60 0.00 0.00 54.58 52.83 2wb4 n ASN 447 Cb 0.00 -3.27 -0.07 0.00 -0.53 0.00 0.00 39.78 35.91 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 -3.55 -0.91 -0.15 5.20 0.00 -1.21 -4.99 121.76 116.15 2wb4 s ALA 448 Ca 0.39 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 2wb4 s ALA 448 Cb -0.14 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2wb4 s ALA 448 CO 0.87 -0.41 -0.08 0.08 0.00 0.00 0.00 175.76 176.22 2wb4 s VAL 449 N -2.24 3.45 -0.09 0.00 1.01 -1.26 -1.39 120.40 119.87 2wb4 s VAL 449 Ca -0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2wb4 s VAL 449 Cb -0.02 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2wb4 s VAL 449 CO -0.01 0.50 -0.03 -0.69 0.00 0.00 0.00 175.10 174.87 2wb4 s VAL 450 N 0.52 0.63 0.68 2.92 1.01 -0.81 -4.99 120.40 120.35 2wb4 s VAL 450 Ca -0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 2wb4 s VAL 450 Cb -0.15 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.52 2wb4 s VAL 450 CO 0.03 0.28 1.01 -0.83 0.00 0.00 0.00 175.10 175.59 2wb4 s GLY 451 N 1.87 1.65 -0.30 4.51 0.00 -1.26 -2.53 107.32 111.25 2wb4 s GLY 451 Ca 0.05 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.03 2wb4 s GLY 451 CO -0.06 -0.38 0.60 1.25 0.00 0.00 0.00 173.10 174.50 2wb4 s LYS 452 N -5.22 0.56 0.66 2.90 2.47 -1.09 -4.86 119.74 115.16 2wb4 s LYS 452 Ca 0.58 0.80 -0.00 0.00 -1.56 0.00 0.00 55.97 55.79 2wb4 s LYS 452 Cb -0.11 0.42 0.09 0.00 -1.46 0.00 0.00 37.83 36.77 2wb4 s LYS 452 CO 0.46 -0.81 0.91 0.00 0.16 0.00 0.00 175.35 176.07 2wb4 s ALA 453 N 2.85 3.76 -1.40 3.13 0.00 -1.26 -4.63 121.76 124.21 2wb4 s ALA 453 Ca 0.16 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2wb4 s ALA 453 Cb -0.13 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2wb4 s ALA 453 CO -0.23 -1.18 0.35 0.00 0.00 0.00 0.00 175.76 174.70