#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wf4 n MET 63 N 0.00 0.20 -1.90 3.44 2.81 -1.26 -4.76 117.12 115.64 2wf4 n MET 63 Ca 0.00 -0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.46 2wf4 n MET 63 Cb 0.00 -1.55 -0.01 0.00 -0.71 0.00 0.00 33.22 30.95 2wf4 n MET 63 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2wf4 s VAL 64 N -3.14 2.28 -1.31 2.03 1.01 -1.26 -2.82 120.40 117.19 2wf4 s VAL 64 Ca 0.05 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2wf4 s VAL 64 Cb 0.15 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2wf4 s VAL 64 CO 0.82 0.06 0.15 0.47 0.00 0.00 0.00 175.10 176.59 2wf4 n ASP 65 N 0.95 -4.85 -0.73 3.32 8.00 -1.21 -4.89 116.55 117.13 2wf4 n ASP 65 Ca 0.02 -0.08 0.12 0.00 0.71 0.00 0.00 54.79 55.56 2wf4 n ASP 65 Cb 0.40 -3.89 0.33 0.00 -0.02 0.00 0.00 41.12 37.94 2wf4 n ASP 65 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2wf4 n ASN 66 N -1.19 2.21 -4.70 -2.24 6.94 -1.06 -4.84 115.26 110.38 2wf4 n ASN 66 Ca -0.16 -1.78 -0.34 0.00 -0.02 0.00 0.00 54.58 52.29 2wf4 n ASN 66 Cb 0.63 -0.11 -0.09 0.00 -2.36 0.00 0.00 39.78 37.85 2wf4 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wf4 s LEU 67 N -1.67 3.61 0.27 -4.53 1.43 -0.32 -4.33 118.68 113.16 2wf4 s LEU 67 Ca 0.34 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2wf4 s LEU 67 Cb 0.20 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2wf4 s LEU 67 CO 0.29 0.33 0.11 -0.13 0.23 0.00 0.00 176.35 177.18 2wf4 s ARG 68 N -1.27 1.46 0.00 1.70 1.81 -0.70 -2.20 118.95 119.75 2wf4 s ARG 68 Ca 0.17 -1.81 0.00 0.00 -1.72 0.00 0.00 55.73 52.38 2wf4 s ARG 68 Cb -0.11 -0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.14 2wf4 s ARG 68 CO 0.07 -0.33 0.00 0.41 -0.68 0.00 0.00 175.30 174.77 2wf4 n GLY 69 N -0.50 -1.74 3.40 -3.53 0.00 -0.77 -0.15 105.19 101.90 2wf4 n GLY 69 Ca 0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 2wf4 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wf4 s LYS 70 N -1.66 2.24 0.02 1.61 1.02 -1.25 -0.20 119.74 121.52 2wf4 s LYS 70 Ca 0.00 -0.85 -0.38 0.00 0.02 0.00 0.00 55.97 54.76 2wf4 s LYS 70 Cb 0.00 -2.19 -0.17 0.00 -0.52 0.00 0.00 37.83 34.95 2wf4 s LYS 70 CO 0.00 0.58 1.33 0.45 -0.92 0.00 0.00 175.35 176.79 2wf4 n SER 71 N 2.24 1.36 0.00 2.83 2.88 -1.26 -1.07 113.62 120.59 2wf4 n SER 71 Ca -0.17 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 2wf4 n SER 71 Cb 0.52 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2wf4 n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wf4 n GLY 72 N 2.50 0.92 0.03 0.46 0.00 -1.26 -4.85 105.19 102.99 2wf4 n GLY 72 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 2wf4 n GLY 72 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wf4 n GLN 73 N -2.10 2.19 0.00 1.61 6.02 -0.23 -4.90 117.38 119.96 2wf4 n GLN 73 Ca 0.00 -1.52 0.00 0.00 -0.01 0.00 0.00 57.00 55.47 2wf4 n GLN 73 Cb 0.00 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.26 2wf4 n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wf4 n GLY 74 N -0.57 0.42 3.47 1.08 0.00 -1.25 -4.81 105.19 103.54 2wf4 n GLY 74 Ca 0.03 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 2wf4 n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wf4 s TYR 75 N -2.47 2.75 0.11 1.61 1.51 -1.26 -3.85 117.35 115.75 2wf4 s TYR 75 Ca 0.00 -0.23 0.07 0.00 -1.01 0.00 0.00 57.07 55.90 2wf4 s TYR 75 Cb 0.00 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 2wf4 s TYR 75 CO 0.00 0.13 -0.16 1.52 -1.11 0.00 0.00 175.55 175.93 2wf4 s TYR 76 N -0.54 1.49 0.14 2.71 -0.85 0.79 -0.66 117.35 120.44 2wf4 s TYR 76 Ca 0.07 -0.49 0.11 0.00 -0.52 0.00 0.00 57.07 56.24 2wf4 s TYR 76 Cb -0.12 -0.79 -0.04 0.00 0.38 0.00 0.00 41.96 41.39 2wf4 s TYR 76 CO 0.02 0.16 -0.26 0.54 -1.52 0.00 0.00 175.55 174.49 2wf4 s VAL 77 N -1.70 2.33 0.13 -3.49 0.11 0.11 -1.72 120.40 116.17 2wf4 s VAL 77 Ca 0.06 -1.78 -0.30 0.00 -2.93 0.00 0.00 61.98 57.04 2wf4 s VAL 77 Cb -0.07 -2.05 -0.06 0.00 -1.53 0.00 0.00 36.38 32.66 2wf4 s VAL 77 CO 0.04 0.06 0.96 -0.70 -3.33 0.00 0.00 175.10 172.13 2wf4 s GLU 78 N -2.16 4.72 0.14 1.54 2.12 -1.26 -0.97 118.70 122.82 2wf4 s GLU 78 Ca 0.15 1.47 0.02 0.00 0.36 0.00 0.00 54.97 56.96 2wf4 s GLU 78 Cb -0.10 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2wf4 s GLU 78 CO 0.07 0.25 -0.02 -1.64 -0.54 0.00 0.00 175.26 173.37 2wf4 s MET 79 N -0.16 0.98 0.10 4.30 -1.94 -0.20 -4.08 119.30 118.30 2wf4 s MET 79 Ca 0.46 -1.44 0.10 0.00 -1.71 0.00 0.00 55.69 53.09 2wf4 s MET 79 Cb -0.24 -0.20 -0.04 0.00 2.01 0.00 0.00 34.83 36.36 2wf4 s MET 79 CO 0.30 -0.09 -0.25 0.95 -0.01 0.00 0.00 175.02 175.92 2wf4 s THR 80 N -3.67 2.03 0.01 2.05 -4.23 -0.24 -0.82 115.64 110.76 2wf4 s THR 80 Ca 0.19 -1.58 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 2wf4 s THR 80 Cb 0.06 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.09 2wf4 s THR 80 CO 0.00 0.11 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.39 2wf4 s VAL 81 N -1.01 0.92 0.00 2.29 1.01 -0.27 -1.79 120.40 121.55 2wf4 s VAL 81 Ca 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2wf4 s VAL 81 Cb -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2wf4 s VAL 81 CO 0.04 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2wf4 n GLY 82 N 2.51 -0.26 2.73 4.51 0.00 -0.03 -0.42 105.19 114.22 2wf4 n GLY 82 Ca -0.15 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 43.86 2wf4 n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wf4 s SER 83 N -2.12 1.79 0.79 1.61 0.15 -1.26 -2.84 113.70 111.82 2wf4 s SER 83 Ca 0.00 -0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.31 2wf4 s SER 83 Cb 0.00 -0.39 0.07 0.00 -1.71 0.00 0.00 66.02 63.99 2wf4 s SER 83 CO 0.00 -0.24 1.12 -2.16 1.20 0.00 0.00 173.24 173.16 2wf4 s PRO 84 N 2.01 2.00 0.19 5.44 0.04 -1.26 -1.87 135.00 141.55 2wf4 s PRO 84 Ca 0.04 1.34 -0.32 0.00 0.04 0.00 0.00 61.00 62.10 2wf4 s PRO 84 Cb -0.13 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 2wf4 s PRO 84 CO -0.06 -1.86 1.64 -2.14 0.04 0.00 0.00 177.00 174.62 2wf4 s PRO 85 N -4.66 4.17 -0.24 0.56 0.02 -1.13 -4.90 135.00 128.83 2wf4 s PRO 85 Ca 0.64 2.48 -0.07 0.00 0.02 0.00 0.00 61.00 64.07 2wf4 s PRO 85 Cb -0.20 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 2wf4 s PRO 85 CO 0.54 -0.67 0.06 -0.65 -0.33 0.00 0.00 177.00 175.94 2wf4 s GLN 86 N 1.13 3.66 -0.01 5.54 -0.21 0.44 -4.88 119.66 125.33 2wf4 s GLN 86 Ca 0.72 -0.48 -0.27 0.00 0.02 0.00 0.00 55.36 55.35 2wf4 s GLN 86 Cb -0.47 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 2wf4 s GLN 86 CO 0.32 -0.15 0.86 0.99 -2.12 0.00 0.00 175.29 175.19 2wf4 s THR 87 N 1.49 4.89 0.02 -0.19 2.01 -1.26 -1.11 115.64 121.48 2wf4 s THR 87 Ca 0.06 1.80 -0.00 0.00 0.31 0.00 0.00 61.69 63.86 2wf4 s THR 87 Cb -0.15 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 2wf4 s THR 87 CO 0.03 0.23 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.40 2wf4 s LEU 88 N 0.74 2.22 -0.16 4.42 1.43 -0.00 -4.98 118.68 122.35 2wf4 s LEU 88 Ca 0.45 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 2wf4 s LEU 88 Cb -0.20 0.10 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 2wf4 s LEU 88 CO 0.24 -0.29 0.39 0.20 0.23 0.00 0.00 176.35 177.13 2wf4 s ASN 89 N -1.39 6.53 -0.12 2.29 0.02 -1.26 -1.04 114.94 119.97 2wf4 s ASN 89 Ca -0.15 0.63 0.01 0.00 -1.02 0.00 0.00 52.86 52.33 2wf4 s ASN 89 Cb -0.09 -2.24 0.02 0.00 0.02 0.00 0.00 41.25 38.96 2wf4 s ASN 89 CO -0.01 0.01 -0.15 -0.63 0.02 0.00 0.00 177.10 176.34 2wf4 s ILE 90 N 0.78 1.55 0.15 0.60 -1.09 -0.14 -0.23 121.20 122.82 2wf4 s ILE 90 Ca 0.21 -0.65 -0.31 0.00 -2.23 0.00 0.00 60.65 57.67 2wf4 s ILE 90 Cb -0.14 -1.42 -0.09 0.00 -1.58 0.00 0.00 42.46 39.23 2wf4 s ILE 90 CO 0.07 0.45 1.40 -0.22 -1.23 0.00 0.00 174.94 175.42 2wf4 s LEU 91 N 1.15 4.38 -0.30 2.97 0.20 0.20 -0.71 118.68 126.56 2wf4 s LEU 91 Ca -0.03 2.41 -0.19 0.00 0.69 0.00 0.00 54.13 57.01 2wf4 s LEU 91 Cb -0.14 -3.60 -0.01 0.00 -0.43 0.00 0.00 46.19 42.01 2wf4 s LEU 91 CO -0.05 -0.65 0.58 0.68 -0.29 0.00 0.00 176.35 176.62 2wf4 s VAL 92 N 0.80 4.98 -0.30 1.68 -7.23 0.17 -0.16 120.40 120.34 2wf4 s VAL 92 Ca 0.63 0.76 0.01 0.00 -1.81 0.00 0.00 61.98 61.57 2wf4 s VAL 92 Cb -0.38 -3.96 0.09 0.00 0.56 0.00 0.00 36.38 32.69 2wf4 s VAL 92 CO 0.33 -0.11 0.05 -0.62 -0.31 0.00 0.00 175.10 174.45 2wf4 s ASP 93 N 1.64 4.16 0.00 4.85 2.15 -0.57 -4.24 116.67 124.67 2wf4 s ASP 93 Ca 0.23 -1.66 0.28 0.00 0.43 0.00 0.00 52.55 51.83 2wf4 s ASP 93 Cb -0.15 -1.14 1.69 0.00 -0.30 0.00 0.00 42.92 43.02 2wf4 s ASP 93 CO 0.12 -0.36 2.07 0.35 -0.17 0.00 0.00 175.17 177.17 2wf4 n THR 94 N 4.65 0.00 -0.65 1.71 -2.24 -1.26 -0.46 114.28 116.02 2wf4 n THR 94 Ca -0.03 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 2wf4 n THR 94 Cb 0.43 -0.48 0.29 0.00 -2.10 0.00 0.00 70.33 68.47 2wf4 n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wf4 n GLY 95 N 0.89 3.15 3.59 3.38 0.00 -1.26 -4.21 105.19 110.73 2wf4 n GLY 95 Ca 0.21 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 2wf4 n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wf4 s SER 96 N -1.22 0.75 -0.00 1.61 1.04 -1.22 -5.00 113.70 109.66 2wf4 s SER 96 Ca 0.43 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2wf4 s SER 96 Cb 0.29 0.74 0.00 0.00 0.10 0.00 0.00 66.02 67.16 2wf4 s SER 96 CO 0.17 -1.46 0.62 -1.20 0.98 0.00 0.00 173.24 172.36 2wf4 n SER 97 N -1.56 0.12 -4.66 7.02 7.64 -1.26 -0.24 113.62 120.67 2wf4 n SER 97 Ca -0.02 -1.26 -0.35 0.00 1.01 0.00 0.00 58.87 58.26 2wf4 n SER 97 Cb 0.61 -0.04 -0.09 0.00 -1.01 0.00 0.00 64.21 63.67 2wf4 n SER 97 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2wf4 s ASN 98 N -0.26 5.45 -0.24 6.43 -0.87 -1.26 -4.52 114.94 119.66 2wf4 s ASN 98 Ca 0.00 0.12 -0.17 0.00 -1.57 0.00 0.00 52.86 51.25 2wf4 s ASN 98 Cb 0.00 -1.76 -0.03 0.00 -0.02 0.00 0.00 41.25 39.44 2wf4 s ASN 98 CO 0.00 0.28 0.46 0.12 -2.57 0.00 0.00 177.10 175.39 2wf4 s PHE 99 N -0.30 3.30 -0.07 2.20 5.99 -1.26 -1.61 117.98 126.23 2wf4 s PHE 99 Ca 0.07 0.61 -0.07 0.00 0.00 0.00 0.00 56.93 57.54 2wf4 s PHE 99 Cb -0.12 -2.64 0.02 0.00 0.00 0.00 0.00 43.02 40.28 2wf4 s PHE 99 CO 0.02 -0.18 0.20 0.00 -0.00 0.00 0.00 175.22 175.26 2wf4 s ALA 100 N 1.92 -0.49 0.04 11.12 0.00 -0.42 -1.23 121.76 132.70 2wf4 s ALA 100 Ca 0.20 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2wf4 s ALA 100 Cb -0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2wf4 s ALA 100 CO 0.09 -0.11 -0.10 0.14 0.00 0.00 0.00 175.76 175.78 2wf4 s VAL 101 N -0.07 0.73 0.27 0.00 -7.23 -0.55 0.21 120.40 113.77 2wf4 s VAL 101 Ca -0.02 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.90 2wf4 s VAL 101 Cb -0.02 -0.72 -0.13 0.00 0.56 0.00 0.00 36.38 36.07 2wf4 s VAL 101 CO 0.00 -0.19 1.35 0.61 -0.31 0.00 0.00 175.10 176.57 2wf4 n GLY 102 N 1.79 0.67 0.08 2.32 0.00 0.51 -0.73 105.19 109.82 2wf4 n GLY 102 Ca -0.20 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2wf4 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wf4 n ALA 103 N 1.33 1.26 -2.74 4.61 0.00 -0.44 -0.23 120.51 124.31 2wf4 n ALA 103 Ca 0.09 -0.66 -0.09 0.00 0.00 0.00 0.00 53.44 52.78 2wf4 n ALA 103 Cb 0.33 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 2wf4 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wf4 s ALA 104 N -0.13 -0.39 0.35 0.00 0.00 -1.21 -4.76 121.76 115.62 2wf4 s ALA 104 Ca 0.01 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.17 2wf4 s ALA 104 Cb 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 23.12 23.65 2wf4 s ALA 104 CO 0.00 -0.59 1.44 -2.30 0.00 0.00 0.00 175.76 174.31 2wf4 n PRO 105 N -0.15 2.49 -3.81 0.00 -0.02 -1.26 -4.91 135.00 127.35 2wf4 n PRO 105 Ca -0.13 0.88 -0.12 0.00 -2.02 0.00 0.00 63.50 62.10 2wf4 n PRO 105 Cb 0.63 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 2wf4 n PRO 105 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2wf4 s HIS 106 N -0.90 -0.14 0.43 6.00 2.46 -1.26 -5.05 115.29 116.83 2wf4 s HIS 106 Ca 0.56 0.27 0.18 0.00 0.47 0.00 0.00 55.06 56.54 2wf4 s HIS 106 Cb -0.51 0.05 1.11 0.00 -0.13 0.00 0.00 32.58 33.09 2wf4 s HIS 106 CO 0.61 -0.27 1.87 -1.35 -2.47 0.00 0.00 174.74 173.12 2wf4 h PRO 107 N 4.61 0.37 -0.34 2.88 0.11 -2.02 -1.12 132.00 136.48 2wf4 h PRO 107 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2wf4 h PRO 107 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wf4 h PRO 107 CO 0.38 0.24 0.00 1.19 -0.21 0.00 0.00 178.00 179.61 2wf4 n PHE 108 N -4.49 0.43 -3.49 0.65 0.99 -1.26 -4.87 117.46 105.43 2wf4 n PHE 108 Ca 0.18 -0.22 -0.38 0.00 -0.00 0.00 0.00 57.45 57.04 2wf4 n PHE 108 Cb 0.69 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 39.08 2wf4 n PHE 108 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2wf4 s LEU 109 N -1.55 4.09 0.32 4.37 1.43 -0.43 -4.65 118.68 122.27 2wf4 s LEU 109 Ca 0.37 0.28 0.17 0.00 -1.03 0.00 0.00 54.13 53.93 2wf4 s LEU 109 Cb 0.22 -2.33 0.22 0.00 0.03 0.00 0.00 46.19 44.33 2wf4 s LEU 109 CO 0.31 -0.07 1.52 0.45 0.23 0.00 0.00 176.35 178.80 2wf4 h HIS 110 N 7.75 0.00 -2.76 0.29 3.86 -1.89 -3.43 115.15 118.97 2wf4 h HIS 110 Ca -0.35 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.94 2wf4 h HIS 110 Cb 1.17 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.55 2wf4 h HIS 110 CO 0.71 0.39 0.32 -0.98 0.86 0.00 0.00 177.93 179.23 2wf4 s ARG 111 N -3.09 1.44 0.20 2.45 1.70 -1.26 -5.16 118.95 115.23 2wf4 s ARG 111 Ca 0.04 -0.73 -0.20 0.00 -0.47 0.00 0.00 55.73 54.37 2wf4 s ARG 111 Cb 0.08 0.53 0.04 0.00 -0.57 0.00 0.00 34.95 35.03 2wf4 s ARG 111 CO 0.72 -0.65 0.58 1.52 -1.08 0.00 0.00 175.30 176.39 2wf4 s TYR 112 N -3.65 -0.25 0.01 5.89 -0.85 -1.26 -4.91 117.35 112.33 2wf4 s TYR 112 Ca 0.09 -0.08 -0.30 0.00 -0.52 0.00 0.00 57.07 56.26 2wf4 s TYR 112 Cb -0.03 0.49 -0.06 0.00 0.38 0.00 0.00 41.96 42.75 2wf4 s TYR 112 CO 0.00 -0.95 1.38 -0.47 -1.52 0.00 0.00 175.55 173.99 2wf4 s TYR 113 N -3.85 2.93 -0.60 -3.49 5.04 0.68 -4.92 117.35 113.14 2wf4 s TYR 113 Ca 0.07 0.87 -0.05 0.00 -2.44 0.00 0.00 57.07 55.52 2wf4 s TYR 113 Cb -0.02 -3.64 0.16 0.00 0.35 0.00 0.00 41.96 38.81 2wf4 s TYR 113 CO -0.04 -2.32 0.44 -0.65 -1.34 0.00 0.00 175.55 171.64 2wf4 s GLN 114 N 2.24 2.61 0.40 4.97 -0.21 -1.26 -4.42 119.66 123.99 2wf4 s GLN 114 Ca 0.63 -2.31 0.09 0.00 0.02 0.00 0.00 55.36 53.79 2wf4 s GLN 114 Cb -0.31 -3.83 0.87 0.00 1.00 0.00 0.00 33.01 30.73 2wf4 s GLN 114 CO 0.26 -1.18 2.00 0.00 -2.12 0.00 0.00 175.29 174.26 2wf4 h ARG 115 N 7.48 0.57 0.00 2.91 3.08 -1.94 -1.18 114.38 125.30 2wf4 h ARG 115 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2wf4 h ARG 115 Cb 0.99 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 2wf4 h ARG 115 CO 0.74 0.38 -0.03 -0.56 -1.07 0.00 0.00 179.97 179.43 2wf4 h GLN 116 N 0.59 0.00 -0.01 0.04 -0.00 -2.00 -1.52 115.11 112.20 2wf4 h GLN 116 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 2wf4 h GLN 116 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 2wf4 h GLN 116 CO -0.07 0.03 -0.21 1.28 -0.00 0.00 0.00 178.83 179.85 2wf4 n LEU 117 N -3.28 1.39 -4.45 0.06 4.77 -0.45 -4.83 117.00 110.22 2wf4 n LEU 117 Ca -0.02 -0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 55.17 2wf4 n LEU 117 Cb 0.16 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 2wf4 n LEU 117 CO 0.24 0.25 -0.27 -0.55 -1.33 0.00 0.00 177.39 175.73 2wf4 s SER 118 N -2.35 5.18 0.39 -1.43 0.15 -0.57 -4.27 113.70 110.80 2wf4 s SER 118 Ca 0.27 -0.20 0.27 0.00 0.70 0.00 0.00 55.95 56.98 2wf4 s SER 118 Cb 0.20 -1.93 0.81 0.00 -1.71 0.00 0.00 66.02 63.38 2wf4 s SER 118 CO 0.47 -0.04 1.76 0.77 1.20 0.00 0.00 173.24 177.40 2wf4 h SER 119 N 8.25 0.00 0.03 5.45 4.64 -1.66 -3.07 113.55 127.18 2wf4 h SER 119 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2wf4 h SER 119 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2wf4 h SER 119 CO 0.58 0.00 -0.23 0.35 -0.87 0.00 0.00 176.83 176.66 2wf4 n THR 120 N -2.79 0.00 -2.10 2.95 -2.24 -1.26 -4.94 114.28 103.90 2wf4 n THR 120 Ca 0.03 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 2wf4 n THR 120 Cb 0.41 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 2wf4 n THR 120 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wf4 s TYR 121 N -2.27 3.08 -0.10 4.78 5.04 -1.16 -4.50 117.35 122.21 2wf4 s TYR 121 Ca 0.25 1.24 -0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2wf4 s TYR 121 Cb 0.19 -3.71 0.02 0.00 0.35 0.00 0.00 41.96 38.81 2wf4 s TYR 121 CO 0.45 -2.15 -0.07 0.50 -1.34 0.00 0.00 175.55 172.94 2wf4 s ARG 122 N -0.96 1.37 0.06 4.97 3.00 0.08 -4.98 118.95 122.49 2wf4 s ARG 122 Ca 0.54 -0.21 -0.30 0.00 -1.00 0.00 0.00 55.73 54.76 2wf4 s ARG 122 Cb -0.40 -1.43 -0.05 0.00 0.00 0.00 0.00 34.95 33.08 2wf4 s ARG 122 CO 0.47 -0.22 1.03 0.34 0.00 0.00 0.00 175.30 176.91 2wf4 s ASP 123 N 1.56 7.34 0.00 -2.12 2.15 -1.26 -0.51 116.67 123.84 2wf4 s ASP 123 Ca 0.01 1.81 0.27 0.00 0.43 0.00 0.00 52.55 55.07 2wf4 s ASP 123 Cb -0.13 -2.58 0.78 0.00 -0.30 0.00 0.00 42.92 40.68 2wf4 s ASP 123 CO -0.06 -0.24 1.58 0.18 -0.17 0.00 0.00 175.17 176.46 2wf4 n LEU 124 N 3.42 1.55 -3.64 -1.34 4.77 -0.38 -4.94 117.00 116.43 2wf4 n LEU 124 Ca 0.05 -0.49 -0.22 0.00 -0.03 0.00 0.00 56.01 55.32 2wf4 n LEU 124 Cb 0.49 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 2wf4 n LEU 124 CO 0.53 0.27 -0.05 0.54 -1.33 0.00 0.00 177.39 177.34 2wf4 n ARG 125 N 0.01 -4.19 -3.65 3.23 1.74 -1.25 -4.98 116.66 107.56 2wf4 n ARG 125 Ca 0.15 0.63 -0.07 0.00 -0.77 0.00 0.00 57.85 57.79 2wf4 n ARG 125 Cb 0.39 -5.12 -0.08 0.00 -1.02 0.00 0.00 32.46 26.63 2wf4 n ARG 125 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2wf4 s LYS 126 N -5.80 0.63 0.54 5.56 2.47 -1.26 -5.06 119.74 116.82 2wf4 s LYS 126 Ca 0.11 1.14 -0.05 0.00 -1.56 0.00 0.00 55.97 55.62 2wf4 s LYS 126 Cb -0.03 0.14 -0.01 0.00 -1.46 0.00 0.00 37.83 36.48 2wf4 s LYS 126 CO 0.81 -0.16 0.84 0.20 0.16 0.00 0.00 175.35 177.20 2wf4 s GLY 127 N 1.66 1.57 -0.07 5.54 0.00 -1.26 -0.71 107.32 114.05 2wf4 s GLY 127 Ca -0.10 -0.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.80 2wf4 s GLY 127 CO -0.18 -0.46 0.31 0.54 0.00 0.00 0.00 173.10 173.31 2wf4 s VAL 128 N -2.86 0.03 -0.08 1.40 0.11 -0.06 -4.82 120.40 114.12 2wf4 s VAL 128 Ca 0.51 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 2wf4 s VAL 128 Cb -0.10 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2wf4 s VAL 128 CO 0.44 -0.13 -0.16 -0.47 -3.33 0.00 0.00 175.10 171.45 2wf4 s TYR 129 N -0.55 1.79 -0.15 1.54 5.04 -1.26 -1.04 117.35 122.72 2wf4 s TYR 129 Ca -0.07 -0.70 -0.01 0.00 -2.44 0.00 0.00 57.07 53.86 2wf4 s TYR 129 Cb -0.04 -1.27 0.04 0.00 0.35 0.00 0.00 41.96 41.05 2wf4 s TYR 129 CO 0.02 -0.32 -0.04 0.08 -1.34 0.00 0.00 175.55 173.95 2wf4 s VAL 130 N 0.58 0.98 0.01 3.14 1.01 -0.53 -4.93 120.40 120.66 2wf4 s VAL 130 Ca -0.16 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 2wf4 s VAL 130 Cb -0.16 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 2wf4 s VAL 130 CO 0.05 0.15 0.38 -2.16 0.00 0.00 0.00 175.10 173.53 2wf4 s PRO 131 N 1.70 3.83 0.39 2.72 0.04 -1.26 -1.83 135.00 140.58 2wf4 s PRO 131 Ca 0.02 0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.36 2wf4 s PRO 131 Cb -0.15 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.26 2wf4 s PRO 131 CO -0.08 0.66 0.12 0.66 0.04 0.00 0.00 177.00 178.41 2wf4 n TYR 132 N 1.56 0.21 -0.14 0.56 4.01 -0.07 -4.99 117.16 118.30 2wf4 n TYR 132 Ca -0.13 -1.83 -0.09 0.00 -0.16 0.00 0.00 57.90 55.69 2wf4 n TYR 132 Cb 0.53 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 39.26 2wf4 n TYR 132 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2wf4 h THR 133 N 0.97 1.20 -3.42 -0.72 2.02 -2.00 -3.39 112.91 107.57 2wf4 h THR 133 Ca -0.30 -0.64 -0.66 0.00 0.77 0.00 0.00 66.41 65.58 2wf4 h THR 133 Cb 0.96 0.87 -0.29 0.00 -1.74 0.00 0.00 68.15 67.95 2wf4 h THR 133 CO 0.48 0.23 -0.72 -1.58 0.37 0.00 0.00 175.52 174.30 2wf4 s GLN 134 N -5.50 3.23 0.00 6.66 0.74 -1.26 -5.05 119.66 118.47 2wf4 s GLN 134 Ca -0.13 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.55 2wf4 s GLN 134 Cb 0.10 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 31.19 2wf4 s GLN 134 CO 0.76 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.64 2wf4 n GLY 135 N 4.77 -0.97 3.43 2.59 0.00 -1.22 -4.82 105.19 108.97 2wf4 n GLY 135 Ca -0.18 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 2wf4 n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wf4 s LYS 136 N -2.51 1.29 0.11 1.61 -2.85 -0.78 -0.89 119.74 115.72 2wf4 s LYS 136 Ca 0.00 -0.48 -0.10 0.00 -1.00 0.00 0.00 55.97 54.38 2wf4 s LYS 136 Cb 0.00 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.36 2wf4 s LYS 136 CO 0.00 -0.56 0.26 1.67 0.10 0.00 0.00 175.35 176.81 2wf4 s TRP 137 N -3.75 0.12 0.10 1.78 1.48 -0.76 -0.73 118.94 117.18 2wf4 s TRP 137 Ca 0.01 -0.52 0.06 0.00 -1.06 0.00 0.00 56.10 54.59 2wf4 s TRP 137 Cb -0.01 0.01 -0.03 0.00 -1.16 0.00 0.00 33.47 32.28 2wf4 s TRP 137 CO -0.13 -0.62 -0.15 -1.83 -4.06 0.00 0.00 176.95 170.17 2wf4 s GLU 138 N -3.87 0.96 0.11 3.25 -1.05 0.21 -1.45 118.70 116.86 2wf4 s GLU 138 Ca 0.07 -1.13 -0.09 0.00 -0.15 0.00 0.00 54.97 53.67 2wf4 s GLU 138 Cb 0.04 -0.92 0.03 0.00 -0.44 0.00 0.00 34.13 32.84 2wf4 s GLU 138 CO -0.09 0.19 0.44 0.41 0.95 0.00 0.00 175.26 177.16 2wf4 n GLY 139 N 0.85 1.14 3.53 -3.83 0.00 -0.21 -1.54 105.19 105.14 2wf4 n GLY 139 Ca -0.18 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 2wf4 n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wf4 s GLU 140 N -2.03 3.40 0.28 1.61 2.56 -0.65 -0.88 118.70 122.99 2wf4 s GLU 140 Ca 0.09 -0.52 -0.27 0.00 0.00 0.00 0.00 54.97 54.27 2wf4 s GLU 140 Cb -0.02 -2.82 -0.09 0.00 2.00 0.00 0.00 34.13 33.20 2wf4 s GLU 140 CO 0.03 0.38 0.93 -0.51 -0.56 0.00 0.00 175.26 175.53 2wf4 s LEU 141 N -0.02 4.47 0.00 2.70 1.43 0.11 -0.61 118.68 126.76 2wf4 s LEU 141 Ca 0.01 1.86 -0.06 0.00 -1.03 0.00 0.00 54.13 54.91 2wf4 s LEU 141 Cb -0.13 -3.83 0.02 0.00 0.03 0.00 0.00 46.19 42.28 2wf4 s LEU 141 CO 0.03 0.03 0.31 0.61 0.23 0.00 0.00 176.35 177.55 2wf4 n GLY 142 N 0.95 1.58 3.13 -3.19 0.00 -0.50 -1.25 105.19 105.92 2wf4 n GLY 142 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 2wf4 n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wf4 s THR 143 N -2.65 0.70 0.21 2.61 -4.23 0.34 -0.60 115.64 112.02 2wf4 s THR 143 Ca 0.06 -1.51 -0.23 0.00 -1.18 0.00 0.00 61.69 58.84 2wf4 s THR 143 Cb -0.02 -1.16 0.05 0.00 1.34 0.00 0.00 72.50 72.72 2wf4 s THR 143 CO 0.04 -0.58 0.90 -0.62 -0.54 0.00 0.00 174.62 173.82 2wf4 s ASP 144 N -2.28 -0.15 0.22 3.99 -1.08 -0.91 -0.74 116.67 115.72 2wf4 s ASP 144 Ca 0.01 -0.56 -0.30 0.00 -0.52 0.00 0.00 52.55 51.18 2wf4 s ASP 144 Cb -0.03 0.58 -0.08 0.00 -1.46 0.00 0.00 42.92 41.92 2wf4 s ASP 144 CO -0.01 -1.09 0.95 -0.76 0.52 0.00 0.00 175.17 174.77 2wf4 s LEU 145 N -3.01 4.62 -0.02 -1.34 1.43 -1.26 -1.42 118.68 117.68 2wf4 s LEU 145 Ca 0.14 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.18 2wf4 s LEU 145 Cb -0.03 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2wf4 s LEU 145 CO 0.05 0.12 -0.08 -0.69 0.23 0.00 0.00 176.35 175.97 2wf4 s VAL 146 N -0.97 0.68 0.16 -1.59 1.01 0.16 -0.85 120.40 119.00 2wf4 s VAL 146 Ca 0.42 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2wf4 s VAL 146 Cb -0.26 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 2wf4 s VAL 146 CO 0.32 0.21 -0.04 -0.44 0.00 0.00 0.00 175.10 175.14 2wf4 s SER 147 N 0.08 1.45 -0.36 3.32 0.01 -0.74 -1.51 113.70 115.96 2wf4 s SER 147 Ca -0.01 -1.10 0.01 0.00 1.31 0.00 0.00 55.95 56.17 2wf4 s SER 147 Cb -0.07 0.06 0.11 0.00 0.21 0.00 0.00 66.02 66.33 2wf4 s SER 147 CO 0.00 -0.47 0.12 -0.63 0.41 0.00 0.00 173.24 172.67 2wf4 s ILE 148 N -3.52 1.46 0.31 1.44 1.01 -1.26 -1.08 121.20 119.56 2wf4 s ILE 148 Ca 0.20 -2.00 0.07 0.00 0.00 0.00 0.00 60.65 58.92 2wf4 s ILE 148 Cb 0.05 -2.07 0.31 0.00 0.01 0.00 0.00 42.46 40.75 2wf4 s ILE 148 CO 0.02 -0.71 1.78 -0.65 0.00 0.00 0.00 174.94 175.38 2wf4 h PRO 149 N 7.60 0.71 -0.56 2.79 0.11 -1.89 0.40 132.00 141.15 2wf4 h PRO 149 Ca -0.08 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.66 2wf4 h PRO 149 Cb 0.99 -0.16 -0.20 0.00 0.11 0.00 0.00 31.00 31.74 2wf4 h PRO 149 CO 0.50 0.47 0.04 0.72 -0.21 0.00 0.00 178.00 179.52 2wf4 n HIS 150 N -4.75 1.81 -2.01 0.65 8.25 -1.26 -4.94 115.22 112.96 2wf4 n HIS 150 Ca 0.23 -1.88 0.00 0.00 -0.26 0.00 0.00 57.72 55.82 2wf4 n HIS 150 Cb 0.59 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2wf4 n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wf4 n GLY 151 N -1.06 5.15 3.76 -1.41 0.00 0.13 -4.24 105.19 107.52 2wf4 n GLY 151 Ca 0.42 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 2wf4 n GLY 151 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wf4 s PRO 152 N 1.99 4.16 -1.29 1.61 0.02 -1.26 -4.88 135.00 135.34 2wf4 s PRO 152 Ca 0.00 2.50 -0.16 0.00 0.02 0.00 0.00 61.00 63.36 2wf4 s PRO 152 Cb 0.00 -3.02 0.10 0.00 0.02 0.00 0.00 34.50 31.60 2wf4 s PRO 152 CO 0.00 -0.51 1.73 1.04 -0.33 0.00 0.00 177.00 178.92 2wf4 n GLN 153 N 1.34 3.23 -4.13 5.54 1.13 -1.26 -4.50 117.38 118.73 2wf4 n GLN 153 Ca 0.04 -3.37 -0.09 0.00 -1.94 0.00 0.00 57.00 51.65 2wf4 n GLN 153 Cb 0.39 -3.32 -0.10 0.00 0.11 0.00 0.00 30.24 27.32 2wf4 n GLN 153 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2wf4 s VAL 154 N 3.17 0.17 -0.08 5.09 -7.23 -1.26 -5.13 120.40 115.13 2wf4 s VAL 154 Ca 0.49 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 2wf4 s VAL 154 Cb 0.04 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.16 2wf4 s VAL 154 CO 0.03 -0.69 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.08 2wf4 s THR 155 N -3.98 1.48 0.07 5.32 2.01 -1.26 -4.38 115.64 114.90 2wf4 s THR 155 Ca 0.17 -0.68 0.07 0.00 0.31 0.00 0.00 61.69 61.56 2wf4 s THR 155 Cb 0.08 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 2wf4 s THR 155 CO -0.03 0.43 -0.18 0.68 -0.69 0.00 0.00 174.62 174.83 2wf4 s VAL 156 N 0.59 1.43 -0.25 3.82 -7.23 -0.57 -4.94 120.40 113.25 2wf4 s VAL 156 Ca -0.15 -1.33 -0.15 0.00 -1.81 0.00 0.00 61.98 58.53 2wf4 s VAL 156 Cb -0.16 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2wf4 s VAL 156 CO 0.05 -0.06 0.37 -0.60 -0.31 0.00 0.00 175.10 174.55 2wf4 s ARG 157 N -1.62 4.07 0.11 4.82 3.52 -1.26 0.36 118.95 128.95 2wf4 s ARG 157 Ca 0.03 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.74 2wf4 s ARG 157 Cb -0.09 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 2wf4 s ARG 157 CO 0.03 -0.19 -0.08 0.00 -0.81 0.00 0.00 175.30 174.25 2wf4 s ALA 158 N 1.79 1.15 0.28 6.12 0.00 -0.51 -4.93 121.76 125.66 2wf4 s ALA 158 Ca 0.16 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 2wf4 s ALA 158 Cb -0.15 0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.98 2wf4 s ALA 158 CO 0.09 -0.17 1.32 -0.80 0.00 0.00 0.00 175.76 176.20 2wf4 s ASN 159 N -3.01 6.81 -0.04 0.00 0.01 -1.26 -2.13 114.94 115.32 2wf4 s ASN 159 Ca 0.13 2.59 0.01 0.00 -0.71 0.00 0.00 52.86 54.87 2wf4 s ASN 159 Cb 0.03 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 39.08 2wf4 s ASN 159 CO -0.02 -0.54 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.38 2wf4 s ILE 160 N -0.64 0.34 -0.25 0.60 1.01 0.23 -4.64 121.20 117.84 2wf4 s ILE 160 Ca 0.52 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.98 2wf4 s ILE 160 Cb -0.39 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 2wf4 s ILE 160 CO 0.47 0.18 0.51 0.00 0.00 0.00 0.00 174.94 176.10 2wf4 s ALA 161 N 0.94 3.58 -0.56 9.38 0.00 -0.37 -1.40 121.76 133.34 2wf4 s ALA 161 Ca -0.11 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 2wf4 s ALA 161 Cb -0.14 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.17 2wf4 s ALA 161 CO -0.01 -0.68 0.83 0.00 0.00 0.00 0.00 175.76 175.90 2wf4 s ALA 162 N 2.17 3.24 -0.12 0.00 0.00 0.23 -1.47 121.76 125.80 2wf4 s ALA 162 Ca 0.21 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.33 2wf4 s ALA 162 Cb -0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 2wf4 s ALA 162 CO 0.09 -2.32 1.43 0.42 0.00 0.00 0.00 175.76 175.38 2wf4 s ILE 163 N 3.48 3.98 -0.15 0.00 1.01 0.09 -1.64 121.20 127.96 2wf4 s ILE 163 Ca 0.23 1.18 0.05 0.00 0.00 0.00 0.00 60.65 62.11 2wf4 s ILE 163 Cb -0.16 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 2wf4 s ILE 163 CO 0.15 -0.12 0.18 0.35 0.00 0.00 0.00 174.94 175.50 2wf4 n THR 164 N 5.46 0.00 -3.75 2.92 -2.24 -0.59 -1.33 114.28 114.75 2wf4 n THR 164 Ca 0.15 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 2wf4 n THR 164 Cb 0.44 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 2wf4 n THR 164 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wf4 s GLU 165 N -1.80 0.50 0.13 -0.78 2.12 -1.03 -4.90 118.70 112.94 2wf4 s GLU 165 Ca 0.01 0.25 -0.19 0.00 0.36 0.00 0.00 54.97 55.40 2wf4 s GLU 165 Cb 0.04 0.23 0.05 0.00 0.26 0.00 0.00 34.13 34.71 2wf4 s GLU 165 CO 0.21 -0.10 0.47 -1.54 -0.54 0.00 0.00 175.26 173.76 2wf4 s SER 166 N -0.34 -0.35 -0.16 -1.70 1.04 -1.26 -0.62 113.70 110.32 2wf4 s SER 166 Ca -0.05 -0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 2wf4 s SER 166 Cb -0.03 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.66 2wf4 s SER 166 CO 0.02 -0.87 0.10 -0.62 0.98 0.00 0.00 173.24 172.85 2wf4 s ASP 167 N -2.70 2.02 -1.74 7.02 2.15 0.09 -4.87 116.67 118.64 2wf4 s ASP 167 Ca 0.01 -0.45 -0.01 0.00 0.43 0.00 0.00 52.55 52.54 2wf4 s ASP 167 Cb 0.01 -0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 2wf4 s ASP 167 CO -0.11 -0.33 0.16 0.29 -0.17 0.00 0.00 175.17 175.01 2wf4 n LYS 168 N 5.29 -2.55 -0.05 4.34 5.02 -1.26 -1.86 118.16 127.08 2wf4 n LYS 168 Ca -0.06 0.99 -0.05 0.00 -2.02 0.00 0.00 58.31 57.17 2wf4 n LYS 168 Cb 0.49 -5.72 -0.02 0.00 -0.02 0.00 0.00 35.03 29.77 2wf4 n LYS 168 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wf4 n PHE 169 N -4.16 0.01 -2.10 2.13 7.35 -1.26 -3.38 117.46 116.04 2wf4 n PHE 169 Ca -0.21 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.10 2wf4 n PHE 169 Cb 0.67 -0.27 0.00 0.00 0.35 0.00 0.00 39.48 40.23 2wf4 n PHE 169 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2wf4 s PHE 170 N -2.02 2.73 -0.13 -5.13 0.40 -1.26 -4.97 117.98 107.60 2wf4 s PHE 170 Ca -0.15 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 2wf4 s PHE 170 Cb 0.02 -3.55 -0.01 0.00 0.51 0.00 0.00 43.02 39.99 2wf4 s PHE 170 CO 0.23 -1.97 -0.14 0.42 0.70 0.00 0.00 175.22 174.46 2wf4 s ILE 171 N -1.41 2.94 -0.08 0.64 1.01 -1.26 -5.01 121.20 118.03 2wf4 s ILE 171 Ca 0.64 -0.70 -0.35 0.00 0.00 0.00 0.00 60.65 60.24 2wf4 s ILE 171 Cb -0.34 -2.23 -0.12 0.00 0.01 0.00 0.00 42.46 39.78 2wf4 s ILE 171 CO 0.41 0.52 1.83 1.67 0.00 0.00 0.00 174.94 179.37 2wf4 n GLN 172 N 3.64 2.06 -3.13 2.79 7.27 -1.26 -2.76 117.38 125.98 2wf4 n GLN 172 Ca -0.18 0.75 -0.17 0.00 0.07 0.00 0.00 57.00 57.46 2wf4 n GLN 172 Cb 0.53 -2.57 0.02 0.00 2.41 0.00 0.00 30.24 30.62 2wf4 n GLN 172 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wf4 n GLY 173 N 4.25 -0.87 0.00 1.69 0.00 -1.26 -4.97 105.19 104.04 2wf4 n GLY 173 Ca 0.22 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.35 2wf4 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wf4 n SER 174 N -0.59 3.17 0.00 1.61 3.41 -1.11 -5.03 113.62 115.08 2wf4 n SER 174 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2wf4 n SER 174 Cb 0.55 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 2wf4 n SER 174 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wf4 n ASN 175 N -1.18 -0.24 -4.64 4.04 3.02 -1.26 -4.57 115.26 110.42 2wf4 n ASN 175 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 2wf4 n ASN 175 Cb 0.15 -0.04 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 2wf4 n ASN 175 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 2wf4 s TRP 176 N -3.60 2.83 0.00 3.10 1.48 -1.26 -4.60 118.94 116.89 2wf4 s TRP 176 Ca 0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 56.10 54.91 2wf4 s TRP 176 Cb 0.00 -1.41 0.00 0.00 -1.16 0.00 0.00 33.47 30.90 2wf4 s TRP 176 CO 0.00 0.49 0.52 0.39 -4.06 0.00 0.00 176.95 174.28 2wf4 n GLU 177 N 0.20 -0.15 -3.84 3.25 4.71 0.68 -4.90 120.64 120.59 2wf4 n GLU 177 Ca -0.11 -0.60 -0.06 0.00 -0.01 0.00 0.00 57.16 56.38 2wf4 n GLU 177 Cb 0.54 -0.91 0.02 0.00 -1.01 0.00 0.00 31.44 30.08 2wf4 n GLU 177 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2wf4 s GLY 178 N -0.17 0.25 -0.00 0.62 0.00 -1.12 -0.36 107.32 106.54 2wf4 s GLY 178 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.15 2wf4 s GLY 178 CO 0.00 0.94 0.00 -1.50 0.00 0.00 0.00 173.10 172.55 2wf4 s ILE 179 N -2.24 0.00 -0.42 0.90 2.07 0.13 -0.63 121.20 121.02 2wf4 s ILE 179 Ca 0.18 0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.41 2wf4 s ILE 179 Cb -0.04 -0.03 0.11 0.00 0.13 0.00 0.00 42.46 42.62 2wf4 s ILE 179 CO 0.09 0.02 0.23 -0.22 -1.91 0.00 0.00 174.94 173.15 2wf4 s LEU 180 N 0.19 5.31 -0.37 8.50 2.96 0.77 -1.30 118.68 134.74 2wf4 s LEU 180 Ca -0.02 -1.96 -0.29 0.00 -0.22 0.00 0.00 54.13 51.65 2wf4 s LEU 180 Cb -0.02 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.81 2wf4 s LEU 180 CO -0.01 -0.57 1.22 -0.83 -1.32 0.00 0.00 176.35 174.85 2wf4 s GLY 181 N 2.01 1.35 0.00 7.98 0.00 -0.63 -1.51 107.32 116.52 2wf4 s GLY 181 Ca 0.07 -0.14 0.24 0.00 0.00 0.00 0.00 44.72 44.88 2wf4 s GLY 181 CO -0.03 2.50 1.40 1.04 0.00 0.00 0.00 173.10 178.01 2wf4 n LEU 182 N 7.73 2.97 0.00 0.66 4.77 0.39 -4.23 117.00 129.29 2wf4 n LEU 182 Ca 0.14 -1.18 -0.18 0.00 -0.03 0.00 0.00 56.01 54.76 2wf4 n LEU 182 Cb 0.48 -0.14 0.13 0.00 -2.33 0.00 0.00 43.42 41.55 2wf4 n LEU 182 CO 0.66 0.59 0.54 0.00 -1.33 0.00 0.00 177.39 177.85 2wf4 n ALA 183 N 1.22 -0.89 -2.05 -1.18 0.00 0.66 -4.93 120.51 113.34 2wf4 n ALA 183 Ca 0.17 -1.09 -0.28 0.00 0.00 0.00 0.00 53.44 52.24 2wf4 n ALA 183 Cb 0.55 -0.04 0.03 0.00 0.00 0.00 0.00 19.45 19.99 2wf4 n ALA 183 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wf4 s TYR 184 N -2.76 3.37 0.54 0.00 1.51 -0.74 -4.64 117.35 114.63 2wf4 s TYR 184 Ca 0.47 0.83 0.21 0.00 -1.01 0.00 0.00 57.07 57.57 2wf4 s TYR 184 Cb -0.01 -2.73 1.41 0.00 -0.11 0.00 0.00 41.96 40.51 2wf4 s TYR 184 CO 0.33 -0.79 2.13 0.00 -1.11 0.00 0.00 175.55 176.11 2wf4 h ALA 185 N -0.23 2.01 -0.84 3.71 0.00 -1.88 -2.81 119.26 119.22 2wf4 h ALA 185 Ca -0.45 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 54.68 2wf4 h ALA 185 Cb 1.24 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2wf4 h ALA 185 CO 0.62 -0.15 0.59 1.49 0.00 0.00 0.00 179.25 181.79 2wf4 h GLU 186 N 0.00 0.10 -0.25 0.00 4.81 -1.87 -0.56 114.58 116.81 2wf4 h GLU 186 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2wf4 h GLU 186 Cb 0.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2wf4 h GLU 186 CO -0.00 0.07 0.00 0.44 -0.73 0.00 0.00 179.01 178.79 2wf4 n ILE 187 N -4.35 0.51 -1.97 2.32 -5.35 -1.06 -4.65 119.36 104.80 2wf4 n ILE 187 Ca 0.17 -0.76 -0.36 0.00 -0.27 0.00 0.00 62.75 61.53 2wf4 n ILE 187 Cb 0.84 0.90 0.03 0.00 -1.74 0.00 0.00 39.64 39.67 2wf4 n ILE 187 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wf4 s ALA 188 N -1.14 2.60 -0.00 -1.28 0.00 -0.22 -4.75 121.76 116.98 2wf4 s ALA 188 Ca 0.25 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2wf4 s ALA 188 Cb 0.15 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2wf4 s ALA 188 CO 0.20 -1.19 0.05 1.03 0.00 0.00 0.00 175.76 175.85 2wf4 s ARG 189 N -3.22 2.97 0.42 0.00 1.81 -1.26 -2.85 118.95 116.82 2wf4 s ARG 189 Ca 0.76 -0.53 0.23 0.00 -1.72 0.00 0.00 55.73 54.47 2wf4 s ARG 189 Cb -0.32 -2.79 0.72 0.00 -0.45 0.00 0.00 34.95 32.10 2wf4 s ARG 189 CO 0.36 0.64 1.74 -1.35 -0.68 0.00 0.00 175.30 176.01 2wf4 h PRO 190 N 4.20 0.00 -2.82 3.54 0.11 -1.91 -3.47 132.00 131.64 2wf4 h PRO 190 Ca -0.49 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.68 2wf4 h PRO 190 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2wf4 h PRO 190 CO 0.60 0.23 0.36 0.16 -0.21 0.00 0.00 178.00 179.14 2wf4 s ASP 191 N -6.19 -0.06 0.00 -2.05 3.84 -1.13 -5.04 116.67 106.04 2wf4 s ASP 191 Ca 0.02 -0.88 0.14 0.00 -0.00 0.00 0.00 52.55 51.84 2wf4 s ASP 191 Cb 0.09 0.71 0.85 0.00 -1.38 0.00 0.00 42.92 43.19 2wf4 s ASP 191 CO 0.65 -1.39 1.33 -0.90 -0.00 0.00 0.00 175.17 174.85 2wf4 n ASP 192 N -1.12 0.00 0.10 2.11 5.68 -1.25 -1.82 116.55 120.24 2wf4 n ASP 192 Ca -0.06 -0.90 0.13 0.00 -0.50 0.00 0.00 54.79 53.46 2wf4 n ASP 192 Cb 0.60 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.94 2wf4 n ASP 192 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wf4 n SER 193 N -0.83 0.80 -4.52 -1.12 3.41 -1.26 -4.55 113.62 105.54 2wf4 n SER 193 Ca 0.11 0.49 -0.42 0.00 -0.26 0.00 0.00 58.87 58.79 2wf4 n SER 193 Cb 0.05 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 2wf4 n SER 193 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2wf4 s LEU 194 N -4.48 3.63 0.16 1.04 2.96 -0.76 -4.98 118.68 116.26 2wf4 s LEU 194 Ca 0.10 -0.91 -0.31 0.00 -0.22 0.00 0.00 54.13 52.79 2wf4 s LEU 194 Cb 0.12 -2.52 -0.11 0.00 0.50 0.00 0.00 46.19 44.19 2wf4 s LEU 194 CO 0.62 -1.62 1.77 -0.70 -1.32 0.00 0.00 176.35 175.10 2wf4 s GLU 195 N 4.99 4.14 0.68 1.98 2.12 -1.26 -4.87 118.70 126.48 2wf4 s GLU 195 Ca 0.35 2.58 -0.14 0.00 0.36 0.00 0.00 54.97 58.12 2wf4 s GLU 195 Cb -0.08 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.95 2wf4 s GLU 195 CO 0.06 -0.79 1.10 -2.14 -0.54 0.00 0.00 175.26 172.95 2wf4 s PRO 196 N 2.07 2.70 0.23 4.30 0.02 -1.26 -4.53 135.00 138.53 2wf4 s PRO 196 Ca 0.78 1.30 -0.07 0.00 0.02 0.00 0.00 61.00 63.03 2wf4 s PRO 196 Cb -0.47 -1.94 0.33 0.00 0.02 0.00 0.00 34.50 32.44 2wf4 s PRO 196 CO 0.34 -1.31 1.80 0.35 -0.33 0.00 0.00 177.00 177.85 2wf4 h PHE 197 N -0.27 0.72 -0.21 6.54 3.57 -1.82 -2.10 116.94 123.36 2wf4 h PHE 197 Ca -0.46 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 60.95 2wf4 h PHE 197 Cb 1.24 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2wf4 h PHE 197 CO 0.56 0.29 -0.37 0.35 -2.23 0.00 0.00 178.31 176.91 2wf4 h PHE 198 N 0.69 0.55 -0.69 0.41 3.57 -1.93 0.18 116.94 119.72 2wf4 h PHE 198 Ca 0.35 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2wf4 h PHE 198 Cb 0.32 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2wf4 h PHE 198 CO -0.09 0.78 0.36 -0.44 -2.23 0.00 0.00 178.31 176.69 2wf4 h ASP 199 N 0.39 0.87 -0.62 0.41 3.32 -1.79 -1.64 116.42 117.37 2wf4 h ASP 199 Ca 0.04 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2wf4 h ASP 199 Cb 0.83 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 2wf4 h ASP 199 CO 0.07 0.73 0.17 0.28 -1.72 0.00 0.00 179.24 178.77 2wf4 h SER 200 N 0.95 0.92 -0.43 6.45 0.02 -0.77 -1.68 113.55 119.01 2wf4 h SER 200 Ca 0.24 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2wf4 h SER 200 Cb 0.07 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2wf4 h SER 200 CO -0.04 0.90 0.22 0.25 -1.14 0.00 0.00 176.83 177.03 2wf4 h LEU 201 N 0.90 0.33 -0.32 5.07 5.85 -0.67 -1.73 115.31 124.74 2wf4 h LEU 201 Ca 0.20 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 2wf4 h LEU 201 Cb 0.33 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2wf4 h LEU 201 CO -0.00 0.23 -0.16 0.58 -0.34 0.00 0.00 178.44 178.75 2wf4 h VAL 202 N 0.44 1.29 -0.42 1.05 2.07 -1.13 -1.73 116.25 117.82 2wf4 h VAL 202 Ca 0.18 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 2wf4 h VAL 202 Cb 0.08 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2wf4 h VAL 202 CO -0.12 0.41 -0.06 0.11 0.02 0.00 0.00 177.57 177.93 2wf4 h LYS 203 N 0.43 0.72 0.00 1.57 1.57 -1.18 -3.23 116.57 116.45 2wf4 h LYS 203 Ca 0.07 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2wf4 h LYS 203 Cb 0.70 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2wf4 h LYS 203 CO 0.05 0.77 -1.17 1.04 -0.57 0.00 0.00 179.45 179.58 2wf4 n GLN 204 N -4.20 0.48 -4.64 3.15 6.02 -0.66 -4.94 117.38 112.59 2wf4 n GLN 204 Ca 0.02 0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.72 2wf4 n GLN 204 Cb 0.33 -1.68 -0.07 0.00 1.02 0.00 0.00 30.24 29.84 2wf4 n GLN 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2wf4 n THR 205 N -2.30 0.00 0.51 5.09 -2.24 -0.65 -5.03 114.28 109.65 2wf4 n THR 205 Ca 0.00 -2.45 0.08 0.00 -2.27 0.00 0.00 64.05 59.42 2wf4 n THR 205 Cb 0.50 0.63 0.22 0.00 -2.10 0.00 0.00 70.33 69.59 2wf4 n THR 205 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wf4 n HIS 206 N -1.17 0.61 -1.80 4.78 8.25 -1.26 -4.73 115.22 119.90 2wf4 n HIS 206 Ca -0.16 -0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 56.57 2wf4 n HIS 206 Cb 0.65 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 2wf4 n HIS 206 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2wf4 s VAL 207 N -1.39 2.28 0.62 1.59 1.01 -1.26 -4.95 120.40 118.30 2wf4 s VAL 207 Ca 0.32 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 2wf4 s VAL 207 Cb 0.17 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2wf4 s VAL 207 CO 0.23 0.01 1.32 -2.84 0.00 0.00 0.00 175.10 173.82 2wf4 s PRO 208 N 1.35 2.69 -1.53 2.72 0.02 -1.26 -4.71 135.00 134.28 2wf4 s PRO 208 Ca 0.74 2.13 -0.12 0.00 0.02 0.00 0.00 61.00 63.77 2wf4 s PRO 208 Cb -0.47 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.08 2wf4 s PRO 208 CO 0.32 -1.51 2.55 -1.71 -0.33 0.00 0.00 177.00 176.32 2wf4 n ASN 209 N -1.68 6.06 -3.57 2.53 5.15 -1.26 -4.24 115.26 118.25 2wf4 n ASN 209 Ca 0.14 -2.73 -0.12 0.00 -0.60 0.00 0.00 54.58 51.27 2wf4 n ASN 209 Cb 0.47 -1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 38.05 2wf4 n ASN 209 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2wf4 s LEU 210 N 1.25 -0.46 0.10 1.20 0.20 -1.26 -1.51 118.68 118.20 2wf4 s LEU 210 Ca 0.57 0.58 -0.05 0.00 0.69 0.00 0.00 54.13 55.92 2wf4 s LEU 210 Cb 0.16 2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 47.95 2wf4 s LEU 210 CO -0.08 -0.38 0.11 0.72 -0.29 0.00 0.00 176.35 176.43 2wf4 s PHE 211 N -0.90 0.47 0.07 5.38 -0.71 -1.06 -0.37 117.98 120.85 2wf4 s PHE 211 Ca -0.03 -0.91 0.03 0.00 -1.04 0.00 0.00 56.93 54.98 2wf4 s PHE 211 Cb -0.01 -0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 2wf4 s PHE 211 CO 0.03 -0.52 -0.10 -1.54 -1.34 0.00 0.00 175.22 171.74 2wf4 s SER 212 N -2.94 1.28 -0.09 1.98 1.04 -0.26 -0.16 113.70 114.54 2wf4 s SER 212 Ca 0.12 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2wf4 s SER 212 Cb 0.06 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2wf4 s SER 212 CO -0.06 -0.20 -0.11 -0.76 0.98 0.00 0.00 173.24 173.09 2wf4 s LEU 213 N -1.96 1.50 -0.44 2.42 1.43 0.13 -1.24 118.68 120.52 2wf4 s LEU 213 Ca -0.02 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2wf4 s LEU 213 Cb -0.07 -0.89 0.12 0.00 0.03 0.00 0.00 46.19 45.38 2wf4 s LEU 213 CO 0.01 -0.03 0.22 -1.58 0.23 0.00 0.00 176.35 175.19 2wf4 s GLN 214 N 1.12 1.98 -0.15 1.70 0.74 0.46 -1.62 119.66 123.89 2wf4 s GLN 214 Ca -0.05 -2.01 -0.14 0.00 0.05 0.00 0.00 55.36 53.21 2wf4 s GLN 214 Cb -0.14 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.41 2wf4 s GLN 214 CO -0.02 -1.07 0.31 -0.51 -0.55 0.00 0.00 175.29 173.45 2wf4 s LEU 215 N 0.79 4.25 0.00 3.68 1.43 -1.26 -0.53 118.68 127.04 2wf4 s LEU 215 Ca 0.11 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 2wf4 s LEU 215 Cb -0.22 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2wf4 s LEU 215 CO -0.05 0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.63 2wf4 n SER 230 N -0.96 0.00 -4.55 0.00 3.41 -1.26 -3.88 113.62 106.38 2wf4 n SER 230 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 2wf4 n SER 230 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2wf4 n SER 230 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2wf4 s VAL 231 N 0.00 1.70 0.19 -3.33 -7.23 0.73 -4.87 120.40 107.58 2wf4 s VAL 231 Ca 0.00 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2wf4 s VAL 231 Cb 0.00 -2.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 2wf4 s VAL 231 CO 0.00 -0.03 0.23 0.61 -0.31 0.00 0.00 175.10 175.60 2wf4 n GLY 232 N -0.84 2.85 0.00 2.32 0.00 -1.25 -1.85 105.19 106.42 2wf4 n GLY 232 Ca -0.04 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2wf4 n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wf4 n GLY 233 N -0.32 -1.24 2.95 -0.02 0.00 -0.94 -1.31 105.19 104.30 2wf4 n GLY 233 Ca 0.02 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 2wf4 n GLY 233 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wf4 s SER 234 N -4.00 0.67 -0.30 1.61 0.01 0.31 -1.17 113.70 110.84 2wf4 s SER 234 Ca 0.00 -0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.12 2wf4 s SER 234 Cb 0.00 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.15 2wf4 s SER 234 CO 0.00 0.05 0.03 -0.32 0.41 0.00 0.00 173.24 173.41 2wf4 s MET 235 N 0.01 2.72 -0.39 12.44 1.75 -1.26 -0.41 119.30 134.17 2wf4 s MET 235 Ca 0.00 -1.08 -0.16 0.00 -1.25 0.00 0.00 55.69 53.20 2wf4 s MET 235 Cb -0.04 -3.25 0.01 0.00 2.84 0.00 0.00 34.83 34.39 2wf4 s MET 235 CO -0.00 -0.54 0.40 0.42 -0.65 0.00 0.00 175.02 174.64 2wf4 s ILE 236 N 1.37 5.13 -0.14 10.11 -1.09 -0.38 -4.88 121.20 131.32 2wf4 s ILE 236 Ca -0.01 -0.20 -0.18 0.00 -2.23 0.00 0.00 60.65 58.03 2wf4 s ILE 236 Cb -0.18 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 2wf4 s ILE 236 CO 0.00 -0.28 0.46 -0.63 -1.23 0.00 0.00 174.94 173.26 2wf4 s ILE 237 N 2.06 5.19 0.00 2.92 1.01 -1.26 -1.10 121.20 130.01 2wf4 s ILE 237 Ca 0.11 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.65 2wf4 s ILE 237 Cb -0.17 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2wf4 s ILE 237 CO 0.13 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2wf4 n GLY 238 N 3.43 0.76 1.17 6.18 0.00 0.50 -4.85 105.19 112.38 2wf4 n GLY 238 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2wf4 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wf4 n GLY 239 N -2.06 0.65 3.21 -0.02 0.00 -1.24 -4.25 105.19 101.48 2wf4 n GLY 239 Ca 0.00 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 2wf4 n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wf4 s ILE 240 N -2.19 2.23 -0.45 -0.61 1.01 -1.26 -4.30 121.20 115.63 2wf4 s ILE 240 Ca 0.08 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 2wf4 s ILE 240 Cb -0.00 -1.89 0.07 0.00 0.01 0.00 0.00 42.46 40.64 2wf4 s ILE 240 CO 0.00 0.54 0.35 -0.62 0.00 0.00 0.00 174.94 175.21 2wf4 s ASP 241 N 0.66 5.99 0.46 3.58 3.68 -1.26 -4.95 116.67 124.83 2wf4 s ASP 241 Ca -0.10 -1.34 0.31 0.00 2.13 0.00 0.00 52.55 53.55 2wf4 s ASP 241 Cb -0.16 -2.12 1.35 0.00 -1.45 0.00 0.00 42.92 40.54 2wf4 s ASP 241 CO 0.02 -0.60 1.92 0.45 0.13 0.00 0.00 175.17 177.09 2wf4 h HIS 242 N 8.64 0.00 0.00 -5.34 3.86 -1.99 -1.84 115.15 118.48 2wf4 h HIS 242 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2wf4 h HIS 242 Cb 1.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2wf4 h HIS 242 CO 0.62 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.28 2wf4 n SER 243 N -2.77 0.00 -0.31 2.45 3.41 -1.26 -3.23 113.62 111.91 2wf4 n SER 243 Ca 0.01 0.25 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 2wf4 n SER 243 Cb 0.24 -0.40 0.09 0.00 -0.26 0.00 0.00 64.21 63.88 2wf4 n SER 243 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wf4 n LEU 244 N -1.40 1.49 -4.00 1.04 4.77 -0.69 -4.78 117.00 113.44 2wf4 n LEU 244 Ca 0.08 -0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 55.43 2wf4 n LEU 244 Cb 0.21 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2wf4 n LEU 244 CO 0.18 0.29 -0.13 -0.72 -1.33 0.00 0.00 177.39 175.69 2wf4 s TYR 245 N -2.61 0.47 0.26 -1.77 1.13 -1.20 -0.38 117.35 113.25 2wf4 s TYR 245 Ca 0.18 -0.87 0.08 0.00 -1.41 0.00 0.00 57.07 55.05 2wf4 s TYR 245 Cb 0.18 -0.19 -0.05 0.00 -1.10 0.00 0.00 41.96 40.80 2wf4 s TYR 245 CO 0.62 -0.61 -0.10 0.95 -2.51 0.00 0.00 175.55 173.90 2wf4 s THR 246 N -3.96 1.81 0.00 -3.49 -4.23 -0.10 -4.83 115.64 100.83 2wf4 s THR 246 Ca 0.16 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2wf4 s THR 246 Cb 0.05 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.57 2wf4 s THR 246 CO -0.03 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2wf4 n GLY 247 N -0.54 -0.38 3.86 3.99 0.00 -1.26 -3.86 105.19 106.99 2wf4 n GLY 247 Ca -0.06 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2wf4 n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wf4 s SER 248 N -4.00 6.73 -0.22 1.61 0.01 -1.26 -4.98 113.70 111.59 2wf4 s SER 248 Ca 0.00 1.05 -0.20 0.00 1.31 0.00 0.00 55.95 58.12 2wf4 s SER 248 Cb 0.00 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2wf4 s SER 248 CO 0.00 -0.03 0.58 -0.76 0.41 0.00 0.00 173.24 173.44 2wf4 s LEU 249 N -2.53 4.11 -0.12 2.44 1.43 -1.26 -4.46 118.68 118.29 2wf4 s LEU 249 Ca 0.45 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 54.23 2wf4 s LEU 249 Cb -0.12 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2wf4 s LEU 249 CO 0.20 -0.27 -0.01 0.26 0.23 0.00 0.00 176.35 176.76 2wf4 s TRP 250 N 2.04 3.12 -0.11 0.29 0.52 -0.20 -4.88 118.94 119.72 2wf4 s TRP 250 Ca 0.26 0.01 -0.01 0.00 0.02 0.00 0.00 56.10 56.37 2wf4 s TRP 250 Cb -0.16 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 2wf4 s TRP 250 CO 0.09 0.26 -0.05 0.71 0.02 0.00 0.00 176.95 177.98 2wf4 s TYR 251 N -0.30 2.99 -0.03 -1.98 1.51 -1.26 -0.39 117.35 117.88 2wf4 s TYR 251 Ca 0.06 -0.14 0.05 0.00 -1.01 0.00 0.00 57.07 56.03 2wf4 s TYR 251 Cb -0.12 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 2wf4 s TYR 251 CO 0.02 0.16 -0.18 -0.08 -1.11 0.00 0.00 175.55 174.36 2wf4 s THR 252 N -0.25 2.76 0.38 -0.71 -1.32 -0.16 -3.84 115.64 112.50 2wf4 s THR 252 Ca 0.04 -0.89 -0.27 0.00 -1.21 0.00 0.00 61.69 59.36 2wf4 s THR 252 Cb -0.13 -2.07 -0.09 0.00 -1.51 0.00 0.00 72.50 68.71 2wf4 s THR 252 CO 0.02 0.55 1.30 -2.84 -2.21 0.00 0.00 174.62 171.45 2wf4 s PRO 253 N -0.80 4.10 -0.42 7.08 0.02 -1.26 -0.30 135.00 143.41 2wf4 s PRO 253 Ca 0.12 2.17 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 2wf4 s PRO 253 Cb -0.10 -2.86 0.02 0.00 0.02 0.00 0.00 34.50 31.58 2wf4 s PRO 253 CO 0.01 -0.39 1.20 0.42 -0.33 0.00 0.00 177.00 177.91 2wf4 s ILE 254 N -1.23 4.18 0.16 2.83 1.01 -0.34 -4.55 121.20 123.27 2wf4 s ILE 254 Ca 0.54 1.25 -0.11 0.00 0.00 0.00 0.00 60.65 62.33 2wf4 s ILE 254 Cb -0.39 -4.46 0.02 0.00 0.01 0.00 0.00 42.46 37.65 2wf4 s ILE 254 CO 0.50 -0.83 1.58 -0.09 0.00 0.00 0.00 174.94 176.10 2wf4 h ARG 255 N 9.36 0.95 -3.08 2.79 2.43 -1.08 -3.44 114.38 122.31 2wf4 h ARG 255 Ca -0.24 -0.35 -0.16 0.00 -0.81 0.00 0.00 59.98 58.42 2wf4 h ARG 255 Cb 1.07 -0.06 -0.25 0.00 -0.42 0.00 0.00 29.97 30.31 2wf4 h ARG 255 CO 1.10 1.02 -0.40 0.50 -1.51 0.00 0.00 179.97 180.67 2wf4 s ARG 256 N -4.85 0.32 -1.11 0.20 3.52 -1.26 -5.08 118.95 110.69 2wf4 s ARG 256 Ca -0.12 0.36 -0.15 0.00 -0.13 0.00 0.00 55.73 55.69 2wf4 s ARG 256 Cb 0.12 0.16 0.16 0.00 -1.56 0.00 0.00 34.95 33.83 2wf4 s ARG 256 CO 0.85 -0.04 1.31 -1.21 -0.81 0.00 0.00 175.30 175.40 2wf4 s GLU 257 N 0.11 3.93 0.00 5.12 2.02 -1.26 -3.90 118.70 124.72 2wf4 s GLU 257 Ca -0.00 -2.35 0.00 0.00 0.02 0.00 0.00 54.97 52.64 2wf4 s GLU 257 Cb -0.02 -4.99 0.00 0.00 0.10 0.00 0.00 34.13 29.22 2wf4 s GLU 257 CO 0.00 -1.74 0.00 -2.67 0.02 0.00 0.00 175.26 170.88 2wf4 n TRP 258 N 5.78 0.00 -1.74 1.61 4.27 -1.26 -4.60 117.44 121.50 2wf4 n TRP 258 Ca 0.32 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.63 2wf4 n TRP 258 Cb 0.45 0.03 0.15 0.00 -1.36 0.00 0.00 31.31 30.58 2wf4 n TRP 258 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 2wf4 s TYR 259 N -0.07 2.06 -1.20 -2.67 2.02 -1.26 -1.79 117.35 114.45 2wf4 s TYR 259 Ca 0.00 0.58 -0.19 0.00 -0.37 0.00 0.00 57.07 57.09 2wf4 s TYR 259 Cb 0.00 -3.71 0.07 0.00 -0.40 0.00 0.00 41.96 37.92 2wf4 s TYR 259 CO 0.00 -2.48 1.61 0.71 -1.57 0.00 0.00 175.55 173.83 2wf4 s TYR 260 N -3.57 2.76 -0.05 2.71 1.51 -1.26 -4.84 117.35 114.60 2wf4 s TYR 260 Ca 0.68 -1.41 -0.22 0.00 -1.01 0.00 0.00 57.07 55.10 2wf4 s TYR 260 Cb -0.09 -4.70 -0.04 0.00 -0.11 0.00 0.00 41.96 37.02 2wf4 s TYR 260 CO 0.52 -1.81 0.66 -2.00 -1.11 0.00 0.00 175.55 171.81 2wf4 s GLU 261 N 4.25 4.41 0.40 -0.62 2.12 -1.25 -2.11 118.70 125.90 2wf4 s GLU 261 Ca 0.50 0.81 0.04 0.00 0.36 0.00 0.00 54.97 56.68 2wf4 s GLU 261 Cb 0.02 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2wf4 s GLU 261 CO 0.01 0.15 0.12 0.14 -0.54 0.00 0.00 175.26 175.14 2wf4 s VAL 262 N 0.54 0.68 -0.14 3.70 -7.23 0.20 -0.45 120.40 117.71 2wf4 s VAL 262 Ca 0.35 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 2wf4 s VAL 262 Cb -0.18 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.38 2wf4 s VAL 262 CO 0.17 0.00 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.13 2wf4 s ILE 263 N -3.22 1.99 -0.15 -0.62 -1.09 -1.26 -4.00 121.20 112.84 2wf4 s ILE 263 Ca 0.25 -0.93 -0.17 0.00 -2.23 0.00 0.00 60.65 57.57 2wf4 s ILE 263 Cb 0.03 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 39.10 2wf4 s ILE 263 CO 0.14 0.53 0.44 -0.63 -1.23 0.00 0.00 174.94 174.19 2wf4 s ILE 264 N 0.94 5.20 -0.38 2.92 1.01 -1.26 -0.66 121.20 128.97 2wf4 s ILE 264 Ca -0.04 0.84 0.14 0.00 0.00 0.00 0.00 60.65 61.58 2wf4 s ILE 264 Cb -0.15 -3.77 -0.18 0.00 0.01 0.00 0.00 42.46 38.37 2wf4 s ILE 264 CO -0.04 0.30 0.47 1.33 0.00 0.00 0.00 174.94 177.00 2wf4 n VAL 265 N 3.91 0.00 -3.59 2.92 0.24 0.34 -4.73 118.33 117.42 2wf4 n VAL 265 Ca -0.08 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.34 61.85 2wf4 n VAL 265 Cb 0.51 0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 2wf4 n VAL 265 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wf4 s ARG 266 N -2.61 0.79 -0.05 7.34 3.52 -1.21 -4.76 118.95 121.98 2wf4 s ARG 266 Ca 0.01 0.59 0.02 0.00 -0.13 0.00 0.00 55.73 56.22 2wf4 s ARG 266 Cb 0.10 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 2wf4 s ARG 266 CO 0.58 -0.17 -0.09 0.08 -0.81 0.00 0.00 175.30 174.90 2wf4 s VAL 267 N -0.28 0.85 0.06 7.11 1.01 -1.26 -0.52 120.40 127.37 2wf4 s VAL 267 Ca -0.03 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.72 2wf4 s VAL 267 Cb -0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2wf4 s VAL 267 CO 0.02 0.29 -0.21 -1.61 0.00 0.00 0.00 175.10 173.58 2wf4 s GLU 268 N 0.73 1.35 -0.21 2.72 2.02 -0.52 -1.75 118.70 123.04 2wf4 s GLU 268 Ca -0.13 -1.03 0.02 0.00 0.02 0.00 0.00 54.97 53.85 2wf4 s GLU 268 Cb -0.15 -1.53 0.03 0.00 0.10 0.00 0.00 34.13 32.59 2wf4 s GLU 268 CO 0.02 0.38 -0.16 0.42 0.02 0.00 0.00 175.26 175.94 2wf4 s ILE 269 N -0.90 2.07 -1.54 -1.63 -1.09 -0.28 -0.91 121.20 116.92 2wf4 s ILE 269 Ca 0.08 -1.18 -0.05 0.00 -2.23 0.00 0.00 60.65 57.27 2wf4 s ILE 269 Cb -0.09 -1.99 0.05 0.00 -1.58 0.00 0.00 42.46 38.85 2wf4 s ILE 269 CO 0.03 0.32 0.40 0.59 -1.23 0.00 0.00 174.94 175.05 2wf4 n ASN 270 N 4.56 -0.72 0.00 3.58 4.13 0.77 -1.63 115.26 125.96 2wf4 n ASN 270 Ca -0.18 -1.09 0.00 0.00 1.68 0.00 0.00 54.58 54.99 2wf4 n ASN 270 Cb 0.47 -2.53 0.00 0.00 -1.54 0.00 0.00 39.78 36.18 2wf4 n ASN 270 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wf4 n GLY 271 N -1.96 2.39 3.62 7.41 0.00 -1.26 -4.98 105.19 110.41 2wf4 n GLY 271 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2wf4 n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wf4 s GLN 272 N -0.05 4.06 0.33 1.61 -1.52 -0.64 -4.99 119.66 118.46 2wf4 s GLN 272 Ca 0.00 0.20 -0.29 0.00 -1.95 0.00 0.00 55.36 53.33 2wf4 s GLN 272 Cb 0.00 -3.64 -0.11 0.00 -0.22 0.00 0.00 33.01 29.04 2wf4 s GLN 272 CO 0.00 -0.29 1.49 0.34 -0.25 0.00 0.00 175.29 176.58 2wf4 s ASP 273 N 1.53 6.44 0.15 5.90 2.15 -1.26 -1.13 116.67 130.44 2wf4 s ASP 273 Ca 0.19 2.93 0.21 0.00 0.43 0.00 0.00 52.55 56.31 2wf4 s ASP 273 Cb -0.16 -2.65 0.85 0.00 -0.30 0.00 0.00 42.92 40.66 2wf4 s ASP 273 CO 0.09 -0.82 1.63 0.18 -0.17 0.00 0.00 175.17 176.08 2wf4 n LEU 274 N 1.20 0.40 -3.29 -1.34 4.77 -0.72 -4.91 117.00 113.11 2wf4 n LEU 274 Ca 0.04 0.59 -0.09 0.00 -0.03 0.00 0.00 56.01 56.51 2wf4 n LEU 274 Cb 0.39 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2wf4 n LEU 274 CO 0.63 -0.39 0.16 0.29 -1.33 0.00 0.00 177.39 176.74 2wf4 n LYS 275 N -1.93 -1.42 -3.92 3.23 5.02 -1.26 -5.02 118.16 112.86 2wf4 n LYS 275 Ca 0.03 1.21 -0.11 0.00 -2.02 0.00 0.00 58.31 57.42 2wf4 n LYS 275 Cb 0.23 -4.81 -0.12 0.00 -0.02 0.00 0.00 35.03 30.30 2wf4 n LYS 275 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2wf4 s MET 276 N -3.77 0.17 0.11 1.97 1.75 -1.26 -5.10 119.30 113.16 2wf4 s MET 276 Ca 0.06 -0.28 -0.34 0.00 -1.25 0.00 0.00 55.69 53.89 2wf4 s MET 276 Cb -0.02 0.06 -0.14 0.00 2.84 0.00 0.00 34.83 37.58 2wf4 s MET 276 CO 0.79 -0.03 1.63 -3.47 -0.65 0.00 0.00 175.02 173.29 2wf4 n ASP 277 N 2.34 3.11 0.23 1.11 -0.08 -1.26 -4.81 116.55 117.18 2wf4 n ASP 277 Ca -0.18 1.06 0.16 0.00 -1.51 0.00 0.00 54.79 54.32 2wf4 n ASP 277 Cb 0.58 -1.41 0.72 0.00 2.34 0.00 0.00 41.12 43.35 2wf4 n ASP 277 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wf4 h LYS 279 N 0.00 0.00 0.00 0.00 1.57 -1.86 -2.15 116.57 114.13 2wf4 h LYS 279 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2wf4 h LYS 279 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2wf4 h LYS 279 CO 0.00 0.05 -0.22 0.93 -0.57 0.00 0.00 179.45 179.64 2wf4 h GLU 280 N 0.00 0.00 0.00 3.15 4.39 -1.27 -1.87 114.58 118.98 2wf4 h GLU 280 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wf4 h GLU 280 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2wf4 h GLU 280 CO 0.01 0.22 0.00 1.88 -1.16 0.00 0.00 179.01 179.96 2wf4 h TYR 281 N 0.00 0.00 0.00 4.33 0.99 -1.55 -3.18 116.97 117.56 2wf4 h TYR 281 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2wf4 h TYR 281 Cb 0.40 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.13 2wf4 h TYR 281 CO 0.00 0.00 -0.11 0.09 -0.00 0.00 0.00 178.16 178.14 2wf4 n ASN 282 N -2.98 2.03 -4.60 3.88 3.02 -0.74 -4.46 115.26 111.41 2wf4 n ASN 282 Ca 0.01 -3.03 -0.43 0.00 -0.03 0.00 0.00 54.58 51.10 2wf4 n ASN 282 Cb 0.33 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2wf4 n ASN 282 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wf4 s TYR 283 N -2.57 2.92 -0.76 3.10 6.04 -0.96 -1.34 117.35 123.77 2wf4 s TYR 283 Ca 0.29 0.71 0.07 0.00 0.04 0.00 0.00 57.07 58.18 2wf4 s TYR 283 Cb 0.26 -4.11 0.02 0.00 -1.04 0.00 0.00 41.96 37.09 2wf4 s TYR 283 CO 0.02 -1.10 0.60 -0.40 -1.54 0.00 0.00 175.55 173.13 2wf4 n ASP 284 N 7.40 1.23 -3.55 4.32 5.75 -1.26 -3.20 116.55 127.23 2wf4 n ASP 284 Ca 0.10 -1.12 -0.15 0.00 -0.01 0.00 0.00 54.79 53.61 2wf4 n ASP 284 Cb 0.48 0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.83 2wf4 n ASP 284 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2wf4 s LYS 285 N -0.95 1.04 -0.05 0.11 -2.85 -0.45 -4.60 119.74 111.99 2wf4 s LYS 285 Ca 0.07 -0.10 0.06 0.00 -1.00 0.00 0.00 55.97 55.01 2wf4 s LYS 285 Cb 0.06 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 2wf4 s LYS 285 CO 0.15 -0.37 -0.24 -1.12 0.10 0.00 0.00 175.35 173.87 2wf4 s SER 286 N -1.75 3.13 0.10 0.03 0.01 -1.26 -1.59 113.70 112.37 2wf4 s SER 286 Ca -0.07 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2wf4 s SER 286 Cb -0.01 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 2wf4 s SER 286 CO 0.01 0.26 -0.03 0.27 0.41 0.00 0.00 173.24 174.17 2wf4 s ILE 287 N -0.26 0.46 -0.24 1.44 -4.36 -0.70 -0.62 121.20 116.92 2wf4 s ILE 287 Ca -0.01 -1.90 -0.07 0.00 -0.26 0.00 0.00 60.65 58.42 2wf4 s ILE 287 Cb -0.13 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 2wf4 s ILE 287 CO 0.03 -0.79 0.05 -0.69 0.24 0.00 0.00 174.94 173.78 2wf4 s VAL 288 N -3.78 4.18 -0.30 8.37 1.01 -0.90 -0.83 120.40 128.16 2wf4 s VAL 288 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2wf4 s VAL 288 Cb 0.07 -2.95 0.10 0.00 0.00 0.00 0.00 36.38 33.60 2wf4 s VAL 288 CO -0.04 0.36 0.13 -0.62 0.00 0.00 0.00 175.10 174.92 2wf4 s ASP 289 N 1.55 3.64 0.23 3.32 -1.08 -0.44 -4.51 116.67 119.38 2wf4 s ASP 289 Ca 0.06 -1.45 0.23 0.00 -0.52 0.00 0.00 52.55 50.87 2wf4 s ASP 289 Cb -0.15 -0.49 0.94 0.00 -1.46 0.00 0.00 42.92 41.76 2wf4 s ASP 289 CO 0.03 -0.42 1.69 -1.54 0.52 0.00 0.00 175.17 175.44 2wf4 n SER 290 N 5.06 0.61 -0.06 -0.34 3.41 -1.26 -2.73 113.62 118.31 2wf4 n SER 290 Ca -0.04 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 2wf4 n SER 290 Cb 0.42 -0.78 0.26 0.00 -0.26 0.00 0.00 64.21 63.85 2wf4 n SER 290 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wf4 n GLY 291 N 0.05 -1.08 3.66 5.00 0.00 -1.26 -4.57 105.19 106.99 2wf4 n GLY 291 Ca 0.02 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 2wf4 n GLY 291 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wf4 s THR 292 N -2.88 4.57 -0.04 2.61 2.01 -1.11 -4.94 115.64 115.87 2wf4 s THR 292 Ca 0.14 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 61.76 2wf4 s THR 292 Cb 0.18 -2.99 -0.20 0.00 0.01 0.00 0.00 72.50 69.50 2wf4 s THR 292 CO 0.67 0.54 1.14 0.74 -0.69 0.00 0.00 174.62 177.01 2wf4 h THR 293 N 4.54 1.26 -3.91 -0.82 2.02 -1.87 0.22 112.91 114.34 2wf4 h THR 293 Ca -0.43 -1.21 -0.49 0.00 0.77 0.00 0.00 66.41 65.05 2wf4 h THR 293 Cb 1.19 2.04 0.06 0.00 -1.74 0.00 0.00 68.15 69.69 2wf4 h THR 293 CO 0.62 0.30 0.25 0.20 0.37 0.00 0.00 175.52 177.25 2wf4 s ASN 294 N -5.65 5.79 -0.33 4.18 0.01 -1.26 -1.57 114.94 116.11 2wf4 s ASN 294 Ca -0.15 0.95 -0.29 0.00 -0.71 0.00 0.00 52.86 52.65 2wf4 s ASN 294 Cb 0.01 -1.98 0.01 0.00 0.41 0.00 0.00 41.25 39.70 2wf4 s ASN 294 CO 0.62 -0.99 1.26 -0.22 -1.51 0.00 0.00 177.10 176.26 2wf4 s LEU 295 N -5.04 3.84 -0.14 0.60 2.96 -0.68 -2.15 118.68 118.07 2wf4 s LEU 295 Ca 0.54 1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 55.49 2wf4 s LEU 295 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 2wf4 s LEU 295 CO 0.48 -1.10 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.25 2wf4 s ARG 296 N 4.18 3.52 0.09 1.98 0.52 -0.15 -1.16 118.95 127.93 2wf4 s ARG 296 Ca 0.54 -0.51 0.09 0.00 -0.52 0.00 0.00 55.73 55.33 2wf4 s ARG 296 Cb -0.15 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 2wf4 s ARG 296 CO 0.23 0.33 -0.22 -0.51 0.02 0.00 0.00 175.30 175.15 2wf4 s LEU 297 N 0.12 2.27 0.51 2.53 1.43 0.27 -0.72 118.68 125.10 2wf4 s LEU 297 Ca -0.01 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.20 2wf4 s LEU 297 Cb -0.14 -0.98 -0.07 0.00 0.03 0.00 0.00 46.19 45.04 2wf4 s LEU 297 CO 0.03 0.11 1.28 -2.65 0.23 0.00 0.00 176.35 175.34 2wf4 n PRO 298 N 1.22 1.68 -0.25 1.29 -0.02 -1.26 -0.29 135.00 137.37 2wf4 n PRO 298 Ca -0.19 0.61 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 2wf4 n PRO 298 Cb 0.53 -2.46 0.18 0.00 -0.02 0.00 0.00 33.50 31.73 2wf4 n PRO 298 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2wf4 h LYS 299 N 1.54 0.19 -0.80 -0.52 3.64 -1.96 0.15 116.57 118.81 2wf4 h LYS 299 Ca -0.49 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2wf4 h LYS 299 Cb 1.31 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 2wf4 h LYS 299 CO 0.57 0.12 0.44 -0.22 -2.27 0.00 0.00 179.45 178.09 2wf4 h LYS 300 N 0.19 1.11 -0.04 1.90 3.64 -1.95 0.37 116.57 121.80 2wf4 h LYS 300 Ca 0.42 -0.12 -0.23 0.00 -1.27 0.00 0.00 60.65 59.44 2wf4 h LYS 300 Cb 0.74 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2wf4 h LYS 300 CO -0.57 0.81 -0.87 0.28 -2.27 0.00 0.00 179.45 176.83 2wf4 h VAL 301 N 1.12 1.31 -0.45 2.00 2.07 -1.24 -2.74 116.25 118.32 2wf4 h VAL 301 Ca 0.28 -2.13 0.04 0.00 0.82 0.00 0.00 66.70 65.71 2wf4 h VAL 301 Cb 0.03 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 2wf4 h VAL 301 CO -0.05 0.65 0.22 0.15 0.02 0.00 0.00 177.57 178.57 2wf4 h PHE 302 N 0.33 0.41 -0.62 1.57 3.57 -0.31 0.37 116.94 122.26 2wf4 h PHE 302 Ca -0.10 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 2wf4 h PHE 302 Cb 1.53 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 2wf4 h PHE 302 CO 0.11 0.21 0.15 0.93 -2.23 0.00 0.00 178.31 177.48 2wf4 h GLU 303 N 0.45 0.99 -0.42 1.11 4.39 -0.97 -0.72 114.58 119.40 2wf4 h GLU 303 Ca 0.19 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 2wf4 h GLU 303 Cb 0.10 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2wf4 h GLU 303 CO -0.14 0.90 -0.24 0.00 -1.16 0.00 0.00 179.01 178.38 2wf4 h ALA 304 N 1.04 0.78 -0.32 3.43 0.00 -1.15 -1.75 119.26 121.31 2wf4 h ALA 304 Ca 0.19 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2wf4 h ALA 304 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wf4 h ALA 304 CO 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.76 2wf4 h ALA 305 N 0.98 0.44 -0.76 0.00 0.00 -0.72 -2.34 119.26 116.86 2wf4 h ALA 305 Ca 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2wf4 h ALA 305 Cb 0.78 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2wf4 h ALA 305 CO 0.06 0.34 0.41 0.28 0.00 0.00 0.00 179.25 180.35 2wf4 h VAL 306 N 0.42 1.23 -0.76 0.00 2.07 -1.07 0.30 116.25 118.44 2wf4 h VAL 306 Ca 0.07 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.06 2wf4 h VAL 306 Cb 0.67 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2wf4 h VAL 306 CO 0.04 0.26 0.46 0.50 0.02 0.00 0.00 177.57 178.85 2wf4 h LYS 307 N 1.06 0.83 -0.11 1.57 3.64 -1.21 0.90 116.57 123.24 2wf4 h LYS 307 Ca 0.27 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.38 2wf4 h LYS 307 Cb 0.04 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2wf4 h LYS 307 CO -0.04 0.55 -0.79 1.03 -2.27 0.00 0.00 179.45 177.92 2wf4 h SER 308 N 0.86 0.79 -0.27 4.20 0.87 -0.84 -1.90 113.55 117.26 2wf4 h SER 308 Ca 0.32 -0.53 -0.14 0.00 -1.23 0.00 0.00 61.79 60.22 2wf4 h SER 308 Cb 0.13 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2wf4 h SER 308 CO -0.16 1.31 -0.32 0.40 -0.53 0.00 0.00 176.83 177.54 2wf4 h ILE 309 N 0.44 1.28 -0.47 2.23 2.04 -0.72 -1.67 117.51 120.63 2wf4 h ILE 309 Ca -0.05 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.35 2wf4 h ILE 309 Cb 1.41 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 2wf4 h ILE 309 CO 0.15 0.49 0.29 0.11 0.00 0.00 0.00 178.15 179.19 2wf4 h LYS 310 N 0.66 0.56 -0.65 2.37 1.57 -0.75 -1.51 116.57 118.82 2wf4 h LYS 310 Ca 0.07 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2wf4 h LYS 310 Cb 0.86 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2wf4 h LYS 310 CO 0.08 0.37 0.20 0.00 -0.57 0.00 0.00 179.45 179.52 2wf4 h ALA 311 N 1.21 0.86 -0.11 3.86 0.00 -1.12 -1.67 119.26 122.28 2wf4 h ALA 311 Ca 0.19 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2wf4 h ALA 311 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2wf4 h ALA 311 CO -0.08 0.54 -0.39 0.00 0.00 0.00 0.00 179.25 179.32 2wf4 h ALA 312 N 1.08 1.13 -0.61 0.00 0.00 -1.12 -3.05 119.26 116.69 2wf4 h ALA 312 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wf4 h ALA 312 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wf4 h ALA 312 CO -0.01 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.69 2wf4 n SER 313 N -4.05 4.75 0.00 0.00 3.41 -0.59 -4.67 113.62 112.48 2wf4 n SER 313 Ca -0.01 -2.50 0.05 0.00 -0.26 0.00 0.00 58.87 56.14 2wf4 n SER 313 Cb 0.46 -0.59 0.21 0.00 -0.26 0.00 0.00 64.21 64.03 2wf4 n SER 313 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wf4 n SER 314 N 1.00 0.00 0.31 4.04 3.41 -0.66 -1.34 113.62 120.38 2wf4 n SER 314 Ca 0.25 0.45 0.18 0.00 -0.26 0.00 0.00 58.87 59.50 2wf4 n SER 314 Cb 0.91 -0.47 1.03 0.00 -0.26 0.00 0.00 64.21 65.42 2wf4 n SER 314 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wf4 h THR 315 N 0.00 0.28 -4.10 6.66 1.03 -1.87 -3.40 112.91 111.50 2wf4 h THR 315 Ca 0.00 -0.08 -0.51 0.00 -0.01 0.00 0.00 66.41 65.81 2wf4 h THR 315 Cb 0.15 1.06 -0.25 0.00 -1.07 0.00 0.00 68.15 68.04 2wf4 h THR 315 CO 0.00 0.01 -0.82 -1.61 -0.01 0.00 0.00 175.52 173.10 2wf4 s GLU 316 N -4.34 1.15 -0.13 0.00 2.02 -0.45 -5.14 118.70 111.81 2wf4 s GLU 316 Ca -0.05 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.10 2wf4 s GLU 316 Cb 0.14 -1.20 -0.02 0.00 0.10 0.00 0.00 34.13 33.14 2wf4 s GLU 316 CO 0.49 0.30 -0.10 0.15 0.02 0.00 0.00 175.26 176.12 2wf4 s LYS 317 N -1.13 3.41 0.21 1.61 -0.14 -1.26 -4.93 119.74 117.51 2wf4 s LYS 317 Ca 0.04 -0.63 0.09 0.00 -1.36 0.00 0.00 55.97 54.12 2wf4 s LYS 317 Cb -0.08 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.32 2wf4 s LYS 317 CO 0.01 0.26 -0.10 -0.06 -0.76 0.00 0.00 175.35 174.71 2wf4 s PHE 318 N 0.26 2.59 0.55 3.18 0.40 -1.26 -5.11 117.98 118.60 2wf4 s PHE 318 Ca -0.07 -0.24 -0.21 0.00 -0.60 0.00 0.00 56.93 55.81 2wf4 s PHE 318 Cb -0.15 -1.23 -0.05 0.00 0.51 0.00 0.00 43.02 42.10 2wf4 s PHE 318 CO 0.05 0.55 1.29 -1.25 0.70 0.00 0.00 175.22 176.56 2wf4 s PRO 319 N -3.06 3.13 0.48 0.24 0.04 -1.26 -4.87 135.00 129.70 2wf4 s PRO 319 Ca 0.26 2.07 0.23 0.00 0.04 0.00 0.00 61.00 63.60 2wf4 s PRO 319 Cb -0.08 -2.17 1.26 0.00 0.04 0.00 0.00 34.50 33.55 2wf4 s PRO 319 CO 0.16 -1.14 1.91 -0.44 0.04 0.00 0.00 177.00 177.52 2wf4 h ASP 320 N 1.34 0.20 0.21 6.66 3.32 -2.01 -0.52 116.42 125.62 2wf4 h ASP 320 Ca -0.51 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 2wf4 h ASP 320 Cb 1.30 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2wf4 h ASP 320 CO 0.57 0.09 -0.18 1.23 -1.72 0.00 0.00 179.24 179.23 2wf4 h GLY 321 N 0.21 0.00 0.86 2.75 0.00 -1.96 -2.55 103.07 102.39 2wf4 h GLY 321 Ca 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 2wf4 h GLY 321 CO -0.08 0.00 0.00 -2.75 0.00 0.00 0.00 176.54 173.71 2wf4 h PHE 322 N 0.00 0.01 0.00 5.60 3.57 -1.27 0.40 116.94 125.25 2wf4 h PHE 322 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wf4 h PHE 322 Cb 0.33 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2wf4 h PHE 322 CO 0.00 0.14 0.00 -1.49 -2.23 0.00 0.00 178.31 174.73 2wf4 h TRP 323 N -0.13 0.00 -0.12 0.41 4.06 -1.54 0.26 115.95 118.89 2wf4 h TRP 323 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wf4 h TRP 323 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 2wf4 h TRP 323 CO -0.03 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.13 2wf4 n LEU 324 N -2.54 2.37 -0.78 -4.49 4.77 -0.98 -4.94 117.00 110.42 2wf4 n LEU 324 Ca 0.00 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 55.00 2wf4 n LEU 324 Cb 0.17 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2wf4 n LEU 324 CO 0.19 0.44 -0.10 0.61 -1.33 0.00 0.00 177.39 177.20 2wf4 n GLY 325 N 1.28 1.13 0.55 -0.72 0.00 0.08 -4.87 105.19 102.63 2wf4 n GLY 325 Ca 0.17 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.72 2wf4 n GLY 325 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wf4 n GLU 326 N -2.69 1.55 -3.72 1.61 1.02 0.10 -4.94 120.64 113.55 2wf4 n GLU 326 Ca -0.10 -1.14 -0.14 0.00 -0.02 0.00 0.00 57.16 55.77 2wf4 n GLU 326 Cb 0.34 -1.40 -0.09 0.00 -0.02 0.00 0.00 31.44 30.27 2wf4 n GLU 326 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2wf4 s GLN 327 N -2.11 0.62 0.46 3.49 0.74 -1.12 -4.92 119.66 116.82 2wf4 s GLN 327 Ca 0.18 0.25 -0.15 0.00 0.05 0.00 0.00 55.36 55.69 2wf4 s GLN 327 Cb 0.16 0.29 -0.08 0.00 1.10 0.00 0.00 33.01 34.48 2wf4 s GLN 327 CO 0.44 -0.13 0.89 -0.51 -0.55 0.00 0.00 175.29 175.43 2wf4 s LEU 328 N -0.52 3.75 -0.09 3.68 1.43 -1.26 -4.31 118.68 121.36 2wf4 s LEU 328 Ca -0.06 1.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.46 2wf4 s LEU 328 Cb -0.04 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 2wf4 s LEU 328 CO 0.03 -0.47 -0.11 -0.69 0.23 0.00 0.00 176.35 175.33 2wf4 s VAL 329 N -2.45 3.28 0.04 -1.59 1.01 -0.65 -4.93 120.40 115.11 2wf4 s VAL 329 Ca 0.56 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.99 2wf4 s VAL 329 Cb -0.10 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2wf4 s VAL 329 CO 0.29 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.77 2wf4 s TRP 331 N -0.80 1.41 0.36 0.00 0.51 -0.44 -4.97 118.94 115.02 2wf4 s TRP 331 Ca 0.05 -0.53 -0.25 0.00 -2.12 0.00 0.00 56.10 53.25 2wf4 s TRP 331 Cb -0.08 -0.75 -0.13 0.00 -0.81 0.00 0.00 33.47 31.70 2wf4 s TRP 331 CO 0.01 0.14 0.87 0.94 -0.51 0.00 0.00 176.95 178.41 2wf4 n GLN 332 N 0.69 1.09 -1.61 4.98 7.27 -1.26 -0.11 117.38 128.43 2wf4 n GLN 332 Ca -0.17 0.39 -0.50 0.00 0.07 0.00 0.00 57.00 56.79 2wf4 n GLN 332 Cb 0.56 -1.78 -0.05 0.00 2.41 0.00 0.00 30.24 31.38 2wf4 n GLN 332 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wf4 n ALA 333 N -0.29 -0.36 -0.91 1.69 0.00 -0.68 -1.69 120.51 118.28 2wf4 n ALA 333 Ca 0.10 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2wf4 n ALA 333 Cb 0.36 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2wf4 n ALA 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wf4 n GLY 334 N 2.52 0.85 0.43 0.00 0.00 -1.26 -4.89 105.19 102.84 2wf4 n GLY 334 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 2wf4 n GLY 334 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wf4 n THR 335 N -2.24 1.26 -1.69 2.61 -2.24 -0.68 -5.02 114.28 106.28 2wf4 n THR 335 Ca 0.00 -1.23 -0.52 0.00 -2.27 0.00 0.00 64.05 60.03 2wf4 n THR 335 Cb 0.00 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 2wf4 n THR 335 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2wf4 n THR 336 N -0.11 0.49 -1.74 4.28 -1.04 -1.26 -4.83 114.28 110.06 2wf4 n THR 336 Ca 0.10 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 2wf4 n THR 336 Cb 0.46 -1.65 -0.01 0.00 -1.82 0.00 0.00 70.33 67.31 2wf4 n THR 336 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wf4 n PRO 337 N 6.22 3.18 -0.18 -2.82 -0.04 -1.26 -4.76 135.00 135.34 2wf4 n PRO 337 Ca 0.24 -2.68 0.17 0.00 -0.04 0.00 0.00 63.50 61.19 2wf4 n PRO 337 Cb 0.24 -3.13 0.52 0.00 -0.04 0.00 0.00 33.50 31.09 2wf4 n PRO 337 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2wf4 h TRP 338 N 5.73 0.47 0.00 0.54 4.06 -1.96 -2.30 115.95 122.49 2wf4 h TRP 338 Ca 0.61 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.57 2wf4 h TRP 338 Cb 0.56 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.57 2wf4 h TRP 338 CO 1.52 0.17 0.00 -0.91 -3.56 0.00 0.00 178.44 175.66 2wf4 h ASN 339 N 0.39 0.00 0.78 -3.49 -0.26 -2.01 -2.39 115.58 108.61 2wf4 h ASN 339 Ca 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 2wf4 h ASN 339 Cb 0.95 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 2wf4 h ASN 339 CO -0.13 0.00 -0.26 2.30 -1.06 0.00 0.00 177.43 178.29 2wf4 n ILE 340 N -2.35 0.03 -3.76 2.81 -5.35 -0.86 -4.80 119.36 105.07 2wf4 n ILE 340 Ca 0.03 -0.02 -0.37 0.00 -0.27 0.00 0.00 62.75 62.12 2wf4 n ILE 340 Cb 0.28 -0.14 -0.06 0.00 -1.74 0.00 0.00 39.64 37.98 2wf4 n ILE 340 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2wf4 s PHE 341 N -3.01 3.61 0.67 4.28 0.08 -0.90 -3.13 117.98 119.58 2wf4 s PHE 341 Ca 0.12 0.63 -0.11 0.00 0.12 0.00 0.00 56.93 57.69 2wf4 s PHE 341 Cb 0.18 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2wf4 s PHE 341 CO 0.62 0.66 1.06 -1.25 -0.10 0.00 0.00 175.22 176.21 2wf4 s PRO 342 N -0.87 3.21 0.21 0.24 0.04 -1.26 -4.79 135.00 131.78 2wf4 s PRO 342 Ca 0.17 0.70 -0.21 0.00 0.04 0.00 0.00 61.00 61.70 2wf4 s PRO 342 Cb -0.13 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2wf4 s PRO 342 CO 0.06 -0.84 0.74 0.14 0.04 0.00 0.00 177.00 177.14 2wf4 s VAL 343 N -3.20 4.52 -0.17 -0.36 -7.23 -1.26 -4.27 120.40 108.43 2wf4 s VAL 343 Ca 0.57 1.37 -0.04 0.00 -1.81 0.00 0.00 61.98 62.07 2wf4 s VAL 343 Cb -0.12 -3.91 -0.02 0.00 0.56 0.00 0.00 36.38 32.89 2wf4 s VAL 343 CO 0.54 0.27 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.93 2wf4 s ILE 344 N -1.45 3.85 -0.21 -0.62 1.01 -0.32 -0.16 121.20 123.29 2wf4 s ILE 344 Ca 0.42 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 2wf4 s ILE 344 Cb -0.18 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2wf4 s ILE 344 CO 0.22 0.47 -0.03 -0.44 0.00 0.00 0.00 174.94 175.16 2wf4 s SER 345 N 0.64 4.51 -0.25 3.58 0.01 -0.08 0.29 113.70 122.40 2wf4 s SER 345 Ca -0.02 -0.31 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 2wf4 s SER 345 Cb -0.14 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 2wf4 s SER 345 CO 0.02 0.02 0.10 -0.76 0.41 0.00 0.00 173.24 173.04 2wf4 s LEU 346 N 1.22 3.65 -0.22 2.44 1.43 -0.32 -1.44 118.68 125.44 2wf4 s LEU 346 Ca 0.03 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 2wf4 s LEU 346 Cb -0.14 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2wf4 s LEU 346 CO -0.00 -0.01 0.41 -0.31 0.23 0.00 0.00 176.35 176.67 2wf4 s TYR 347 N 1.47 3.34 -0.03 0.29 1.51 0.32 -1.07 117.35 123.19 2wf4 s TYR 347 Ca 0.06 0.59 -0.00 0.00 -1.01 0.00 0.00 57.07 56.71 2wf4 s TYR 347 Cb -0.15 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 2wf4 s TYR 347 CO 0.05 -0.07 0.02 -0.51 -1.11 0.00 0.00 175.55 173.93 2wf4 s LEU 348 N 1.52 3.63 0.19 -1.29 1.43 0.49 -0.50 118.68 124.15 2wf4 s LEU 348 Ca 0.19 0.08 -0.33 0.00 -1.03 0.00 0.00 54.13 53.04 2wf4 s LEU 348 Cb -0.15 -2.02 -0.14 0.00 0.03 0.00 0.00 46.19 43.91 2wf4 s LEU 348 CO 0.08 0.31 1.40 0.80 0.23 0.00 0.00 176.35 179.17 2wf4 n MET 349 N 1.57 1.78 -1.82 1.70 0.00 0.17 -2.19 117.12 118.34 2wf4 n MET 349 Ca -0.15 0.64 -0.21 0.00 -0.00 0.00 0.00 57.70 57.97 2wf4 n MET 349 Cb 0.53 -2.29 0.13 0.00 0.00 0.00 0.00 33.22 31.59 2wf4 n MET 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wf4 n GLY 350 N 2.51 -0.48 0.02 -5.12 0.00 0.73 -4.14 105.19 98.72 2wf4 n GLY 350 Ca 0.15 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.46 2wf4 n GLY 350 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wf4 n GLU 351 N -2.90 0.15 -4.94 1.61 -0.58 -1.25 -4.57 120.64 108.15 2wf4 n GLU 351 Ca 0.13 -0.04 -0.31 0.00 -0.42 0.00 0.00 57.16 56.52 2wf4 n GLU 351 Cb 0.47 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.70 2wf4 n GLU 351 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2wf4 s VAL 352 N -2.88 2.51 -0.05 2.62 1.01 -1.26 -5.08 120.40 117.26 2wf4 s VAL 352 Ca 0.16 -1.11 -0.39 0.00 0.00 0.00 0.00 61.98 60.65 2wf4 s VAL 352 Cb 0.19 -1.98 -0.17 0.00 0.00 0.00 0.00 36.38 34.42 2wf4 s VAL 352 CO 0.57 0.46 1.40 0.41 0.00 0.00 0.00 175.10 177.94 2wf4 n THR 353 N 2.00 0.07 -1.32 3.92 -1.04 -1.26 -1.24 114.28 115.41 2wf4 n THR 353 Ca -0.16 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.72 2wf4 n THR 353 Cb 0.52 -0.72 -0.05 0.00 -1.82 0.00 0.00 70.33 68.25 2wf4 n THR 353 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wf4 n GLN 354 N 3.05 -1.67 -3.96 -2.82 6.02 -1.26 -4.98 117.38 111.76 2wf4 n GLN 354 Ca 0.21 0.88 -0.31 0.00 -0.01 0.00 0.00 57.00 57.78 2wf4 n GLN 354 Cb 0.14 -5.27 -0.05 0.00 1.02 0.00 0.00 30.24 26.08 2wf4 n GLN 354 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2wf4 s GLN 355 N -2.94 3.26 0.22 -1.09 -0.21 -0.37 -2.29 119.66 116.24 2wf4 s GLN 355 Ca 0.00 -0.51 -0.06 0.00 0.02 0.00 0.00 55.36 54.82 2wf4 s GLN 355 Cb 0.00 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.04 2wf4 s GLN 355 CO 0.00 0.60 0.27 -1.54 -2.12 0.00 0.00 175.29 172.51 2wf4 s SER 356 N -2.40 0.06 0.16 5.90 1.04 0.24 -0.19 113.70 118.52 2wf4 s SER 356 Ca 0.32 -1.21 0.03 0.00 0.48 0.00 0.00 55.95 55.58 2wf4 s SER 356 Cb -0.13 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 2wf4 s SER 356 CO 0.25 -0.96 -0.05 0.72 0.98 0.00 0.00 173.24 174.18 2wf4 s PHE 357 N -4.09 1.25 0.06 5.02 -0.12 -0.93 -0.19 117.98 118.98 2wf4 s PHE 357 Ca 0.32 -0.89 0.09 0.00 -0.05 0.00 0.00 56.93 56.40 2wf4 s PHE 357 Cb 0.04 -0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 2wf4 s PHE 357 CO 0.11 -0.06 -0.23 -0.98 -0.05 0.00 0.00 175.22 174.01 2wf4 s ARG 358 N -3.83 1.83 -0.10 1.99 1.70 0.05 -0.38 118.95 120.21 2wf4 s ARG 358 Ca 0.20 -1.11 -0.00 0.00 -0.47 0.00 0.00 55.73 54.35 2wf4 s ARG 358 Cb 0.05 -2.04 -0.03 0.00 -0.57 0.00 0.00 34.95 32.36 2wf4 s ARG 358 CO 0.02 0.51 -0.09 0.96 -1.08 0.00 0.00 175.30 175.63 2wf4 s ILE 359 N -0.90 3.51 -0.12 4.99 -4.36 -0.23 -1.43 121.20 122.66 2wf4 s ILE 359 Ca 0.13 -0.53 -0.01 0.00 -0.26 0.00 0.00 60.65 59.99 2wf4 s ILE 359 Cb -0.10 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 2wf4 s ILE 359 CO 0.04 0.56 -0.09 -0.89 0.24 0.00 0.00 174.94 174.80 2wf4 s THR 360 N -0.26 3.45 -0.17 8.37 2.01 -0.21 -1.18 115.64 127.64 2wf4 s THR 360 Ca 0.03 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 2wf4 s THR 360 Cb -0.13 -2.45 -0.00 0.00 0.01 0.00 0.00 72.50 69.93 2wf4 s THR 360 CO 0.03 0.54 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.75 2wf4 s ILE 361 N 0.01 2.95 0.46 1.82 -1.09 0.14 -3.42 121.20 122.07 2wf4 s ILE 361 Ca -0.02 -0.66 -0.05 0.00 -2.23 0.00 0.00 60.65 57.69 2wf4 s ILE 361 Cb -0.14 -2.28 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 2wf4 s ILE 361 CO 0.03 0.49 0.76 -0.76 -1.23 0.00 0.00 174.94 174.24 2wf4 s LEU 362 N 0.98 3.67 0.60 2.97 1.02 -1.26 -1.18 118.68 125.49 2wf4 s LEU 362 Ca -0.01 0.90 0.30 0.00 0.02 0.00 0.00 54.13 55.33 2wf4 s LEU 362 Cb -0.15 -3.84 1.76 0.00 0.02 0.00 0.00 46.19 43.98 2wf4 s LEU 362 CO -0.01 -0.54 2.16 1.55 0.02 0.00 0.00 176.35 179.52 2wf4 h PRO 363 N 0.33 0.00 0.00 1.29 0.13 -1.87 0.17 132.00 132.05 2wf4 h PRO 363 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wf4 h PRO 363 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wf4 h PRO 363 CO 0.62 0.00 -0.00 1.96 -0.23 0.00 0.00 178.00 180.35 2wf4 h GLN 364 N 0.00 0.00 0.05 0.86 7.50 -1.93 0.13 115.11 121.71 2wf4 h GLN 364 Ca 0.05 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 58.92 2wf4 h GLN 364 Cb 0.33 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.83 2wf4 h GLN 364 CO -0.00 0.00 -1.53 1.96 -1.50 0.00 0.00 178.83 177.76 2wf4 h GLN 365 N 0.00 0.10 -0.01 1.46 4.20 -1.28 -3.41 115.11 116.17 2wf4 h GLN 365 Ca -0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2wf4 h GLN 365 Cb 0.16 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2wf4 h GLN 365 CO 0.00 1.08 -0.34 2.48 -0.67 0.00 0.00 178.83 181.39 2wf4 n TYR 366 N -4.09 0.00 -3.41 2.96 0.18 -1.07 -4.38 117.16 107.35 2wf4 n TYR 366 Ca -0.32 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.02 2wf4 n TYR 366 Cb 0.82 -0.10 -0.06 0.00 -0.38 0.00 0.00 39.34 39.62 2wf4 n TYR 366 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2wf4 s LEU 367 N -2.53 6.02 -0.11 -3.48 1.43 0.41 -0.51 118.68 119.91 2wf4 s LEU 367 Ca 0.22 -1.91 -0.24 0.00 -1.03 0.00 0.00 54.13 51.17 2wf4 s LEU 367 Cb 0.19 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2wf4 s LEU 367 CO 0.55 -0.77 0.75 -0.60 0.23 0.00 0.00 176.35 176.51 2wf4 s ARG 368 N 1.40 4.37 0.24 1.70 3.52 0.11 -4.75 118.95 125.55 2wf4 s ARG 368 Ca 0.05 0.93 -0.30 0.00 -0.13 0.00 0.00 55.73 56.28 2wf4 s ARG 368 Cb -0.27 -3.50 -0.10 0.00 -1.56 0.00 0.00 34.95 29.52 2wf4 s ARG 368 CO 0.01 -0.10 1.42 -2.14 -0.81 0.00 0.00 175.30 173.67 2wf4 s PRO 369 N 1.37 4.29 -0.34 5.12 0.02 -1.26 -0.58 135.00 143.62 2wf4 s PRO 369 Ca 0.38 2.26 -0.04 0.00 0.02 0.00 0.00 61.00 63.61 2wf4 s PRO 369 Cb -0.17 -3.12 0.06 0.00 0.02 0.00 0.00 34.50 31.28 2wf4 s PRO 369 CO 0.16 -0.39 0.09 0.08 -0.33 0.00 0.00 177.00 176.61 2wf4 s VAL 370 N -0.00 3.43 0.03 3.83 1.01 -0.51 -4.86 120.40 123.32 2wf4 s VAL 370 Ca 0.59 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2wf4 s VAL 370 Cb -0.41 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2wf4 s VAL 370 CO 0.43 -0.25 1.18 -1.61 0.00 0.00 0.00 175.10 174.85 2wf4 s GLU 371 N 1.31 4.42 -0.30 2.72 8.01 -1.26 -4.56 118.70 129.04 2wf4 s GLU 371 Ca -0.01 1.72 -0.06 0.00 0.01 0.00 0.00 54.97 56.63 2wf4 s GLU 371 Cb -0.20 -3.41 0.18 0.00 -4.31 0.00 0.00 34.13 26.39 2wf4 s GLU 371 CO 0.00 -0.29 0.75 0.34 0.01 0.00 0.00 175.26 176.07 2wf4 s ASP 372 N 1.17 -1.07 0.45 -0.19 -1.08 -1.26 -5.03 116.67 109.65 2wf4 s ASP 372 Ca 0.58 0.79 0.13 0.00 -0.52 0.00 0.00 52.55 53.53 2wf4 s ASP 372 Cb -0.28 1.95 1.05 0.00 -1.46 0.00 0.00 42.92 44.18 2wf4 s ASP 372 CO 0.27 -0.20 2.02 0.58 0.52 0.00 0.00 175.17 178.36 2wf4 h VAL 373 N 5.79 0.94 -0.27 1.11 2.07 -1.98 -0.88 116.25 123.04 2wf4 h VAL 373 Ca -0.20 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2wf4 h VAL 373 Cb 1.15 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2wf4 h VAL 373 CO 0.14 0.07 0.08 0.00 0.02 0.00 0.00 177.57 177.87 2wf4 h ALA 374 N 1.75 1.63 -0.70 1.67 0.00 -2.01 -1.70 119.26 119.90 2wf4 h ALA 374 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wf4 h ALA 374 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wf4 h ALA 374 CO -0.05 0.28 0.00 0.25 0.00 0.00 0.00 179.25 179.73 2wf4 n THR 375 N -4.40 1.14 1.47 0.00 -2.24 -0.36 -4.70 114.28 105.19 2wf4 n THR 375 Ca 0.01 -1.00 0.08 0.00 -2.27 0.00 0.00 64.05 60.86 2wf4 n THR 375 Cb 0.15 0.40 0.46 0.00 -2.10 0.00 0.00 70.33 69.24 2wf4 n THR 375 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wf4 n SER 376 N 1.50 0.00 0.26 3.42 3.41 -0.64 -0.29 113.62 121.28 2wf4 n SER 376 Ca 0.24 -0.99 0.15 0.00 -0.26 0.00 0.00 58.87 58.02 2wf4 n SER 376 Cb 0.67 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 65.15 2wf4 n SER 376 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2wf4 h GLN 377 N 0.00 0.00 -6.04 4.33 3.07 -1.84 -3.45 115.11 111.18 2wf4 h GLN 377 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 2wf4 h GLN 377 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 27.48 2wf4 h GLN 377 CO 0.00 0.03 -0.53 -0.51 0.09 0.00 0.00 178.83 177.92 2wf4 s ASP 378 N -5.88 4.58 -0.21 0.06 1.11 0.60 -1.68 116.67 115.26 2wf4 s ASP 378 Ca 0.02 -0.87 -0.07 0.00 0.18 0.00 0.00 52.55 51.81 2wf4 s ASP 378 Cb 0.08 -0.64 -0.04 0.00 1.07 0.00 0.00 42.92 43.40 2wf4 s ASP 378 CO 0.59 -0.37 0.07 -1.81 1.18 0.00 0.00 175.17 174.82 2wf4 s ASP 379 N -3.86 5.47 0.16 0.27 -0.00 0.84 -4.66 116.67 114.89 2wf4 s ASP 379 Ca 0.39 -0.01 0.10 0.00 -0.00 0.00 0.00 52.55 53.03 2wf4 s ASP 379 Cb -0.01 -1.95 -0.04 0.00 -0.00 0.00 0.00 42.92 40.92 2wf4 s ASP 379 CO 0.23 0.10 -0.24 0.00 -0.00 0.00 0.00 175.17 175.26 2wf4 s TYR 381 N -1.47 0.33 -0.03 0.00 1.51 -0.21 -1.42 117.35 116.06 2wf4 s TYR 381 Ca 0.16 -0.68 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 2wf4 s TYR 381 Cb -0.09 -0.24 -0.04 0.00 -0.11 0.00 0.00 41.96 41.48 2wf4 s TYR 381 CO 0.07 -0.26 0.03 0.15 -1.11 0.00 0.00 175.55 174.43 2wf4 s LYS 382 N -2.26 2.94 -0.25 -0.62 1.02 0.25 -1.64 119.74 119.19 2wf4 s LYS 382 Ca -0.08 -0.50 -0.29 0.00 0.02 0.00 0.00 55.97 55.11 2wf4 s LYS 382 Cb -0.04 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2wf4 s LYS 382 CO -0.04 0.66 1.40 0.12 -0.92 0.00 0.00 175.35 176.56 2wf4 s PHE 383 N -1.06 2.52 -0.41 3.18 5.36 -1.26 -0.71 117.98 125.60 2wf4 s PHE 383 Ca 0.19 0.77 0.06 0.00 -0.96 0.00 0.00 56.93 56.99 2wf4 s PHE 383 Cb -0.12 -3.87 0.70 0.00 -0.34 0.00 0.00 43.02 39.39 2wf4 s PHE 383 CO 0.09 -2.13 1.88 0.00 -1.46 0.00 0.00 175.22 173.60 2wf4 n ALA 384 N 7.68 5.25 -3.11 11.12 0.00 0.33 -4.61 120.51 137.17 2wf4 n ALA 384 Ca 0.16 -2.72 -0.33 0.00 0.00 0.00 0.00 53.44 50.56 2wf4 n ALA 384 Cb 0.46 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 2wf4 n ALA 384 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wf4 s ILE 385 N -3.20 2.72 0.33 0.00 1.01 -1.26 -1.69 121.20 119.12 2wf4 s ILE 385 Ca 0.56 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2wf4 s ILE 385 Cb 0.47 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2wf4 s ILE 385 CO 0.12 0.54 0.40 -0.94 0.00 0.00 0.00 174.94 175.06 2wf4 s SER 386 N 0.33 1.12 0.13 3.58 1.04 -0.31 -4.86 113.70 114.73 2wf4 s SER 386 Ca -0.13 -1.56 -0.13 0.00 0.48 0.00 0.00 55.95 54.60 2wf4 s SER 386 Cb -0.17 0.62 -0.07 0.00 0.10 0.00 0.00 66.02 66.51 2wf4 s SER 386 CO 0.07 -1.21 0.51 -1.58 0.98 0.00 0.00 173.24 172.01 2wf4 s GLN 387 N -3.22 3.91 0.01 4.02 0.74 -1.26 -0.56 119.66 123.31 2wf4 s GLN 387 Ca 0.34 0.40 0.03 0.00 0.05 0.00 0.00 55.36 56.17 2wf4 s GLN 387 Cb 0.01 -2.93 -0.01 0.00 1.10 0.00 0.00 33.01 31.17 2wf4 s GLN 387 CO 0.22 0.49 -0.08 0.45 -0.55 0.00 0.00 175.29 175.82 2wf4 s SER 388 N -1.76 0.93 0.00 6.67 0.15 0.61 -4.71 113.70 115.59 2wf4 s SER 388 Ca 0.37 -0.28 0.19 0.00 0.70 0.00 0.00 55.95 56.93 2wf4 s SER 388 Cb -0.15 -0.06 0.27 0.00 -1.71 0.00 0.00 66.02 64.38 2wf4 s SER 388 CO 0.19 0.00 1.22 -1.54 1.20 0.00 0.00 173.24 174.31 2wf4 n SER 389 N 2.39 2.93 -0.06 5.45 3.41 -1.26 -3.79 113.62 122.68 2wf4 n SER 389 Ca -0.16 -1.87 0.07 0.00 -0.26 0.00 0.00 58.87 56.65 2wf4 n SER 389 Cb 0.56 -0.13 0.10 0.00 -0.26 0.00 0.00 64.21 64.49 2wf4 n SER 389 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wf4 n THR 390 N 1.15 1.61 0.00 6.66 -2.24 -1.26 -4.91 114.28 115.28 2wf4 n THR 390 Ca 0.14 -1.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 2wf4 n THR 390 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2wf4 n THR 390 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wf4 n GLY 391 N -1.11 -2.76 3.72 3.38 0.00 -1.20 -4.16 105.19 103.07 2wf4 n GLY 391 Ca 0.11 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2wf4 n GLY 391 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wf4 s THR 392 N -0.90 4.37 -0.26 2.61 2.01 -0.62 -4.49 115.64 118.37 2wf4 s THR 392 Ca 0.00 1.81 0.01 0.00 0.31 0.00 0.00 61.69 63.82 2wf4 s THR 392 Cb 0.00 -4.16 0.05 0.00 0.01 0.00 0.00 72.50 68.40 2wf4 s THR 392 CO 0.00 0.20 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.35 2wf4 s VAL 393 N 0.57 2.41 -0.76 3.82 1.01 0.10 -1.72 120.40 125.83 2wf4 s VAL 393 Ca 0.52 -1.43 -0.23 0.00 0.00 0.00 0.00 61.98 60.85 2wf4 s VAL 393 Cb -0.25 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 33.86 2wf4 s VAL 393 CO 0.30 0.05 1.11 -0.04 0.00 0.00 0.00 175.10 176.52 2wf4 s MET 394 N 1.18 3.27 0.00 2.72 -1.94 -0.01 -0.98 119.30 123.54 2wf4 s MET 394 Ca -0.05 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 2wf4 s MET 394 Cb -0.19 -4.47 0.00 0.00 2.01 0.00 0.00 34.83 32.18 2wf4 s MET 394 CO -0.05 -1.92 0.00 0.41 -0.01 0.00 0.00 175.02 173.45 2wf4 n GLY 395 N 5.54 0.48 0.36 -0.03 0.00 -0.91 -1.33 105.19 109.31 2wf4 n GLY 395 Ca 0.07 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.26 2wf4 n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wf4 h ALA 396 N -1.27 1.52 0.00 4.61 0.00 -0.24 -0.76 119.26 123.12 2wf4 h ALA 396 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2wf4 h ALA 396 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2wf4 h ALA 396 CO 0.00 0.38 -0.03 -0.39 0.00 0.00 0.00 179.25 179.21 2wf4 h VAL 397 N 0.99 0.11 0.17 0.00 -1.51 -1.55 0.17 116.25 114.62 2wf4 h VAL 397 Ca 0.34 -0.51 -0.33 0.00 -1.23 0.00 0.00 66.70 64.97 2wf4 h VAL 397 Cb 0.09 1.45 0.01 0.00 -2.13 0.00 0.00 31.29 30.71 2wf4 h VAL 397 CO -0.11 0.03 -1.58 0.40 -1.23 0.00 0.00 177.57 175.09 2wf4 h ILE 398 N 0.00 1.12 0.00 7.19 1.08 -1.43 -3.35 117.51 122.12 2wf4 h ILE 398 Ca -0.00 -2.70 -0.11 0.00 -0.39 0.00 0.00 64.86 61.66 2wf4 h ILE 398 Cb 0.45 2.82 -0.02 0.00 -3.07 0.00 0.00 36.82 37.01 2wf4 h ILE 398 CO 0.00 0.84 -0.53 0.24 -0.69 0.00 0.00 178.15 178.01 2wf4 h MET 399 N 0.10 0.00 -6.76 2.37 2.86 -0.58 -3.44 114.93 109.48 2wf4 h MET 399 Ca -0.27 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.82 2wf4 h MET 399 Cb 2.07 0.00 0.09 0.00 0.06 0.00 0.00 31.60 33.82 2wf4 h MET 399 CO 0.19 0.53 0.78 0.39 1.06 0.00 0.00 176.91 179.86 2wf4 n GLU 400 N -3.58 2.49 -0.92 1.72 1.02 0.52 -1.03 120.64 120.87 2wf4 n GLU 400 Ca -0.00 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 2wf4 n GLU 400 Cb 0.61 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 2wf4 n GLU 400 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wf4 n GLY 401 N 1.87 0.90 3.51 0.62 0.00 -0.83 -4.85 105.19 106.41 2wf4 n GLY 401 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2wf4 n GLY 401 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wf4 s PHE 402 N -3.59 2.60 -0.32 1.61 0.40 -0.20 -1.86 117.98 116.63 2wf4 s PHE 402 Ca 0.00 -0.23 -0.15 0.00 -0.60 0.00 0.00 56.93 55.95 2wf4 s PHE 402 Cb 0.00 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 2wf4 s PHE 402 CO 0.00 0.39 0.35 -0.47 0.70 0.00 0.00 175.22 176.19 2wf4 s TYR 403 N -1.15 3.22 -0.24 0.36 5.04 0.15 -4.25 117.35 120.47 2wf4 s TYR 403 Ca 0.19 0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 54.90 2wf4 s TYR 403 Cb -0.11 -2.62 0.01 0.00 0.35 0.00 0.00 41.96 39.59 2wf4 s TYR 403 CO 0.11 -0.35 -0.05 0.08 -1.34 0.00 0.00 175.55 174.00 2wf4 s VAL 404 N 2.02 3.15 -0.32 3.14 1.01 -0.64 -1.63 120.40 127.12 2wf4 s VAL 404 Ca 0.12 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 2wf4 s VAL 404 Cb -0.16 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2wf4 s VAL 404 CO 0.11 0.30 0.22 -0.69 0.00 0.00 0.00 175.10 175.04 2wf4 s VAL 405 N 1.41 5.25 -1.04 2.92 1.01 0.12 -0.69 120.40 129.38 2wf4 s VAL 405 Ca 0.03 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 2wf4 s VAL 405 Cb -0.15 -3.65 0.18 0.00 0.00 0.00 0.00 36.38 32.75 2wf4 s VAL 405 CO -0.04 0.06 1.19 -0.36 0.00 0.00 0.00 175.10 175.95 2wf4 s PHE 406 N 1.73 3.49 -1.16 5.22 0.08 0.77 -0.12 117.98 127.98 2wf4 s PHE 406 Ca 0.06 -1.90 -0.17 0.00 0.12 0.00 0.00 56.93 55.04 2wf4 s PHE 406 Cb -0.17 -4.18 0.12 0.00 -0.57 0.00 0.00 43.02 38.22 2wf4 s PHE 406 CO 0.10 -1.32 1.47 0.34 -0.10 0.00 0.00 175.22 175.71 2wf4 s ASP 407 N 2.86 6.86 0.23 1.36 -1.08 -0.37 -2.55 116.67 123.98 2wf4 s ASP 407 Ca 0.34 -2.48 -0.05 0.00 -0.52 0.00 0.00 52.55 49.84 2wf4 s ASP 407 Cb -0.05 -2.47 0.23 0.00 -1.46 0.00 0.00 42.92 39.16 2wf4 s ASP 407 CO -0.06 -1.02 1.72 0.03 0.52 0.00 0.00 175.17 176.37 2wf4 h ARG 408 N 7.90 0.93 -0.68 4.34 3.08 -1.74 -1.08 114.38 127.13 2wf4 h ARG 408 Ca 0.31 -0.26 0.08 0.00 0.07 0.00 0.00 59.98 60.19 2wf4 h ARG 408 Cb 0.92 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 2wf4 h ARG 408 CO 1.30 0.90 0.45 0.00 -1.07 0.00 0.00 179.97 181.55 2wf4 h ALA 409 N 1.16 1.84 -0.24 0.04 0.00 -1.58 -2.07 119.26 118.41 2wf4 h ALA 409 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wf4 h ALA 409 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wf4 h ALA 409 CO 0.02 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.85 2wf4 n ARG 410 N -4.48 2.75 -3.81 0.00 1.74 -1.08 -4.99 116.66 106.79 2wf4 n ARG 410 Ca 0.11 -2.33 -0.24 0.00 -0.77 0.00 0.00 57.85 54.62 2wf4 n ARG 410 Cb 0.30 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.28 2wf4 n ARG 410 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wf4 n LYS 411 N -0.18 -4.52 -3.82 5.56 5.02 -0.49 -4.92 118.16 114.81 2wf4 n LYS 411 Ca 0.14 0.55 -0.10 0.00 -2.02 0.00 0.00 58.31 56.89 2wf4 n LYS 411 Cb 0.60 -5.04 -0.07 0.00 -0.02 0.00 0.00 35.03 30.49 2wf4 n LYS 411 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wf4 s ARG 412 N -6.23 0.80 -0.14 1.97 1.70 -0.74 -1.19 118.95 115.11 2wf4 s ARG 412 Ca 0.10 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.63 2wf4 s ARG 412 Cb -0.05 0.33 0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2wf4 s ARG 412 CO 0.84 -0.25 -0.20 0.42 -1.08 0.00 0.00 175.30 175.02 2wf4 s ILE 413 N -3.20 2.23 -0.08 4.99 1.01 0.59 -1.23 121.20 125.52 2wf4 s ILE 413 Ca -0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 2wf4 s ILE 413 Cb 0.02 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2wf4 s ILE 413 CO -0.07 0.54 0.13 -0.83 0.00 0.00 0.00 174.94 174.71 2wf4 s GLY 414 N 0.82 2.12 -0.05 6.18 0.00 0.82 -0.99 107.32 116.22 2wf4 s GLY 414 Ca -0.07 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 43.98 2wf4 s GLY 414 CO -0.01 -0.51 -0.17 -1.36 0.00 0.00 0.00 173.10 171.05 2wf4 s PHE 415 N -1.10 1.75 0.11 1.90 0.40 0.47 0.16 117.98 121.66 2wf4 s PHE 415 Ca 0.19 -0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 55.92 2wf4 s PHE 415 Cb -0.12 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.22 2wf4 s PHE 415 CO 0.08 -0.18 0.19 0.00 0.70 0.00 0.00 175.22 176.01 2wf4 s ALA 416 N 0.08 -0.08 0.03 5.36 0.00 -0.65 -1.04 121.76 125.47 2wf4 s ALA 416 Ca -0.05 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 2wf4 s ALA 416 Cb -0.12 0.58 -0.07 0.00 0.00 0.00 0.00 23.12 23.51 2wf4 s ALA 416 CO 0.03 -0.53 1.48 0.08 0.00 0.00 0.00 175.76 176.82 2wf4 s VAL 417 N -3.90 3.44 0.48 0.00 1.01 -1.25 0.29 120.40 120.48 2wf4 s VAL 417 Ca 0.09 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 2wf4 s VAL 417 Cb 0.05 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 2wf4 s VAL 417 CO -0.08 0.00 0.74 -0.94 0.00 0.00 0.00 175.10 174.83 2wf4 s SER 418 N 1.98 5.87 0.66 3.32 1.04 -0.78 -0.93 113.70 124.86 2wf4 s SER 418 Ca 0.67 0.51 0.44 0.00 0.48 0.00 0.00 55.95 58.05 2wf4 s SER 418 Cb -0.35 -1.72 2.35 0.00 0.10 0.00 0.00 66.02 66.40 2wf4 s SER 418 CO 0.29 -0.75 2.34 0.00 0.98 0.00 0.00 173.24 176.10 2wf4 h ALA 419 N 0.24 1.00 -0.92 5.32 0.00 -1.02 -0.49 119.26 123.40 2wf4 h ALA 419 Ca -0.46 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 2wf4 h ALA 419 Cb 1.24 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.69 2wf4 h ALA 419 CO 0.59 0.00 0.28 0.00 0.00 0.00 0.00 179.25 180.12 2wf4 s HIS 421 N -3.75 2.21 -0.05 0.00 -0.00 -0.19 -4.33 115.29 109.18 2wf4 s HIS 421 Ca 0.60 1.62 -0.16 0.00 -0.00 0.00 0.00 55.06 57.12 2wf4 s HIS 421 Cb 0.47 -3.26 -0.05 0.00 -0.00 0.00 0.00 32.58 29.74 2wf4 s HIS 421 CO 0.00 -2.24 0.42 0.08 -0.00 0.00 0.00 174.74 173.01 2wf4 s VAL 422 N -2.47 5.10 -0.26 -5.38 1.01 -1.26 -4.99 120.40 112.14 2wf4 s VAL 422 Ca 0.67 0.86 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 2wf4 s VAL 422 Cb -0.22 -3.74 0.17 0.00 0.00 0.00 0.00 36.38 32.59 2wf4 s VAL 422 CO 0.50 0.48 1.28 -1.38 0.00 0.00 0.00 175.10 175.98 2wf4 s HIS 423 N -0.38 -0.13 0.00 5.22 -3.43 -1.26 -1.20 115.29 114.11 2wf4 s HIS 423 Ca 0.24 0.25 0.00 0.00 -0.80 0.00 0.00 55.06 54.75 2wf4 s HIS 423 Cb -0.16 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 2wf4 s HIS 423 CO 0.12 -0.11 0.00 -0.40 -2.00 0.00 0.00 174.74 172.35 2wf4 n ASP 424 N 0.82 0.72 -0.17 7.38 5.68 -0.82 -5.01 116.55 125.14 2wf4 n ASP 424 Ca -0.05 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.38 2wf4 n ASP 424 Cb 0.58 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.13 2wf4 n ASP 424 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2wf4 n GLU 425 N 0.00 0.81 -0.06 0.11 0.00 -1.26 -4.07 120.64 116.17 2wf4 n GLU 425 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 57.16 56.74 2wf4 n GLU 425 Cb 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 31.44 29.88 2wf4 n GLU 425 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2wf4 n PHE 426 N -0.80 0.00 -4.23 -1.84 3.01 -1.26 -5.08 117.46 107.25 2wf4 n PHE 426 Ca 0.15 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.48 2wf4 n PHE 426 Cb 0.29 -0.50 -0.10 0.00 -0.01 0.00 0.00 39.48 39.16 2wf4 n PHE 426 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2wf4 s ARG 427 N -2.26 1.03 -0.07 -1.08 0.52 -1.26 -5.16 118.95 110.68 2wf4 s ARG 427 Ca -0.14 -1.46 -0.11 0.00 -0.52 0.00 0.00 55.73 53.49 2wf4 s ARG 427 Cb 0.04 -0.42 0.02 0.00 0.52 0.00 0.00 34.95 35.12 2wf4 s ARG 427 CO 0.33 -0.02 0.28 -0.08 0.02 0.00 0.00 175.30 175.83 2wf4 s THR 428 N -3.50 0.03 0.55 0.02 -1.32 -1.26 -1.94 115.64 108.21 2wf4 s THR 428 Ca 0.18 -0.23 -0.22 0.00 -1.21 0.00 0.00 61.69 60.22 2wf4 s THR 428 Cb 0.04 -0.48 -0.05 0.00 -1.51 0.00 0.00 72.50 70.50 2wf4 s THR 428 CO 0.01 -0.13 1.34 0.00 -2.21 0.00 0.00 174.62 173.63 2wf4 n ALA 429 N 2.23 1.51 -2.95 11.08 0.00 -0.34 -4.96 120.51 127.08 2wf4 n ALA 429 Ca -0.17 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 2wf4 n ALA 429 Cb 0.57 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.59 2wf4 n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wf4 s ALA 430 N -1.29 -0.44 -0.17 0.00 0.00 -1.22 -4.93 121.76 113.70 2wf4 s ALA 430 Ca 0.72 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.51 2wf4 s ALA 430 Cb -0.42 0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.98 2wf4 s ALA 430 CO 0.49 -0.33 -0.05 0.08 0.00 0.00 0.00 175.76 175.95 2wf4 s VAL 431 N -2.26 1.13 0.00 0.00 1.01 -1.26 -1.05 120.40 117.98 2wf4 s VAL 431 Ca -0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 2wf4 s VAL 431 Cb -0.02 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 2wf4 s VAL 431 CO -0.02 0.09 0.10 -1.83 0.00 0.00 0.00 175.10 173.44 2wf4 s GLU 432 N 1.62 0.43 0.02 2.72 -1.05 -0.51 -4.87 118.70 117.06 2wf4 s GLU 432 Ca -0.00 -0.42 -0.08 0.00 -0.15 0.00 0.00 54.97 54.32 2wf4 s GLU 432 Cb -0.16 0.17 0.03 0.00 -0.44 0.00 0.00 34.13 33.73 2wf4 s GLU 432 CO -0.08 -0.10 0.36 0.41 0.95 0.00 0.00 175.26 176.81 2wf4 n GLY 433 N 1.56 0.76 3.87 -3.83 0.00 -1.26 -0.77 105.19 105.52 2wf4 n GLY 433 Ca -0.23 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 2wf4 n GLY 433 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wf4 s PRO 434 N -2.01 3.80 0.09 1.61 0.04 -1.26 -5.08 135.00 132.18 2wf4 s PRO 434 Ca 0.08 0.56 0.09 0.00 0.04 0.00 0.00 61.00 61.77 2wf4 s PRO 434 Cb -0.01 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2wf4 s PRO 434 CO 0.01 -0.11 -0.20 -0.06 0.04 0.00 0.00 177.00 176.68 2wf4 s PHE 435 N -2.47 2.51 -0.02 0.56 0.40 0.74 -4.95 117.98 114.74 2wf4 s PHE 435 Ca 0.53 -0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.65 2wf4 s PHE 435 Cb -0.10 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 2wf4 s PHE 435 CO 0.33 0.32 -0.23 0.08 0.70 0.00 0.00 175.22 176.41 2wf4 s VAL 436 N -1.04 1.83 0.10 -0.44 1.01 -1.26 -0.59 120.40 120.01 2wf4 s VAL 436 Ca 0.16 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.25 2wf4 s VAL 436 Cb -0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2wf4 s VAL 436 CO 0.07 0.52 -0.24 0.28 0.00 0.00 0.00 175.10 175.73 2wf4 s THR 437 N -0.52 2.39 -0.33 3.92 -1.32 -0.97 -5.02 115.64 113.79 2wf4 s THR 437 Ca 0.08 -1.58 0.23 0.00 -1.21 0.00 0.00 61.69 59.21 2wf4 s THR 437 Cb -0.09 -2.03 0.05 0.00 -1.51 0.00 0.00 72.50 68.91 2wf4 s THR 437 CO -0.01 0.18 1.15 0.17 -2.21 0.00 0.00 174.62 173.90 2wf4 h LEU 438 N 4.12 0.00 -9.37 9.08 -0.00 -2.01 -3.46 115.31 113.67 2wf4 h LEU 438 Ca -0.49 -0.04 -0.54 0.00 -0.00 0.00 0.00 57.88 56.80 2wf4 h LEU 438 Cb 1.16 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2wf4 h LEU 438 CO 0.42 0.02 0.85 -0.62 -0.00 0.00 0.00 178.44 179.11 2wf4 s ASP 439 N -5.27 6.83 0.00 0.17 3.68 -1.26 -4.91 116.67 115.91 2wf4 s ASP 439 Ca 0.01 2.13 0.26 0.00 2.13 0.00 0.00 52.55 57.09 2wf4 s ASP 439 Cb 0.10 -2.56 0.74 0.00 -1.45 0.00 0.00 42.92 39.75 2wf4 s ASP 439 CO 0.77 -0.74 1.56 0.23 0.13 0.00 0.00 175.17 177.11 2wf4 n MET 440 N 5.48 1.18 -1.74 4.34 2.81 -1.26 -4.95 117.12 122.98 2wf4 n MET 440 Ca 0.13 -0.75 -0.41 0.00 -1.81 0.00 0.00 57.70 54.86 2wf4 n MET 440 Cb 0.43 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 2wf4 n MET 440 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wf4 n GLU 441 N -0.25 2.28 -2.93 0.03 2.13 -1.26 -4.97 120.64 115.66 2wf4 n GLU 441 Ca 0.14 0.80 -0.40 0.00 0.66 0.00 0.00 57.16 58.36 2wf4 n GLU 441 Cb 0.37 -2.50 -0.05 0.00 0.27 0.00 0.00 31.44 29.53 2wf4 n GLU 441 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2wf4 s ASP 442 N -0.34 7.24 0.00 4.31 2.15 -1.26 -4.96 116.67 123.82 2wf4 s ASP 442 Ca 0.57 1.49 0.27 0.00 0.43 0.00 0.00 52.55 55.31 2wf4 s ASP 442 Cb -0.50 -2.49 0.86 0.00 -0.30 0.00 0.00 42.92 40.48 2wf4 s ASP 442 CO 0.61 -0.03 1.63 0.00 -0.17 0.00 0.00 175.17 177.20 2wf4 s GLY 444 N -2.48 2.97 -0.03 0.00 0.00 -1.26 -3.88 107.32 102.64 2wf4 s GLY 444 Ca 0.26 1.36 -0.22 0.00 0.00 0.00 0.00 44.72 46.12 2wf4 s GLY 444 CO 0.50 2.01 0.98 -1.82 0.00 0.00 0.00 173.10 174.78 2wf4 h TYR 445 N 3.17 0.53 -3.62 1.90 3.20 -1.82 -3.45 116.97 116.87 2wf4 h TYR 445 Ca -0.50 -0.34 -0.46 0.00 3.14 0.00 0.00 58.73 60.58 2wf4 h TYR 445 Cb 1.23 -0.04 0.08 0.00 1.54 0.00 0.00 36.73 39.54 2wf4 h TYR 445 CO 0.55 1.21 0.21 -0.80 -1.64 0.00 0.00 178.16 177.69 2wf4 s ASN 446 N -6.81 4.77 0.00 -2.11 0.01 -1.26 -5.08 114.94 104.46 2wf4 s ASN 446 Ca -0.14 0.38 0.00 0.00 -0.71 0.00 0.00 52.86 52.39 2wf4 s ASN 446 Cb 0.02 -1.02 0.00 0.00 0.41 0.00 0.00 41.25 40.66 2wf4 s ASN 446 CO 0.82 -1.62 0.00 0.00 -1.51 0.00 0.00 177.10 174.79