#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wil s SER 2 N 0.00 -0.56 0.02 1.61 1.04 -1.26 -5.18 113.70 109.37 1wil s SER 2 Ca 0.00 1.05 0.01 0.00 0.48 0.00 0.00 55.95 57.49 1wil s SER 2 Cb 0.00 1.05 -0.02 0.00 0.10 0.00 0.00 66.02 67.15 1wil s SER 2 CO 0.00 -0.22 -0.04 -0.55 0.98 0.00 0.00 173.24 173.41 1wil s SER 3 N 0.14 0.41 0.00 7.02 0.15 -1.26 -5.11 113.70 115.06 1wil s SER 3 Ca 0.01 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1wil s SER 3 Cb -0.05 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1wil s SER 3 CO -0.02 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1wil n GLY 4 N 1.98 -0.99 3.60 9.45 0.00 -1.26 -5.17 105.19 112.80 1wil n GLY 4 Ca -0.20 0.79 -0.03 0.00 0.00 0.00 0.00 46.02 46.58 1wil n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wil s SER 5 N 0.00 -0.80 0.35 1.61 0.01 -1.26 -5.18 113.70 108.43 1wil s SER 5 Ca 0.00 1.20 0.04 0.00 1.31 0.00 0.00 55.95 58.50 1wil s SER 5 Cb 0.00 1.58 -0.03 0.00 0.21 0.00 0.00 66.02 67.78 1wil s SER 5 CO 0.00 -0.18 0.16 -0.44 0.41 0.00 0.00 173.24 173.19 1wil s SER 6 N 1.96 2.04 0.00 2.44 0.01 -1.26 -5.10 113.70 113.79 1wil s SER 6 Ca -0.08 -1.63 0.00 0.00 1.31 0.00 0.00 55.95 55.56 1wil s SER 6 Cb -0.06 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1wil s SER 6 CO -0.18 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.16 1wil n GLY 7 N -0.71 1.85 0.00 3.44 0.00 -1.26 -4.97 105.19 103.54 1wil n GLY 7 Ca -0.01 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.47 1wil n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wil n PRO 8 N 0.00 0.49 -3.54 1.61 -0.04 -1.26 -4.43 135.00 127.83 1wil n PRO 8 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1wil n PRO 8 Cb 0.00 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 1wil n PRO 8 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wil s ARG 9 N -2.00 2.55 0.23 0.54 1.70 -1.26 -5.07 118.95 115.63 1wil s ARG 9 Ca 0.22 -1.83 -0.27 0.00 -0.47 0.00 0.00 55.73 53.38 1wil s ARG 9 Cb 0.10 -3.95 -0.09 0.00 -0.57 0.00 0.00 34.95 30.44 1wil s ARG 9 CO 0.17 -1.21 0.86 -1.21 -1.08 0.00 0.00 175.30 172.84 1wil s GLU 10 N 1.25 4.65 0.69 3.89 2.02 -1.26 -5.05 118.70 124.89 1wil s GLU 10 Ca 0.07 1.28 -0.14 0.00 0.02 0.00 0.00 54.97 56.20 1wil s GLU 10 Cb -0.25 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 30.85 1wil s GLU 10 CO -0.01 0.48 1.11 -1.25 0.02 0.00 0.00 175.26 175.60 1wil s PRO 11 N -1.43 2.65 0.42 0.39 0.04 -1.26 -4.96 135.00 130.86 1wil s PRO 11 Ca 0.41 1.33 -0.24 0.00 0.04 0.00 0.00 61.00 62.55 1wil s PRO 11 Cb -0.23 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1wil s PRO 11 CO 0.27 -1.36 0.93 1.55 0.04 0.00 0.00 177.00 178.44 1wil n VAL 12 N -2.71 2.36 -3.67 -0.36 3.14 -1.26 -4.96 118.33 110.87 1wil n VAL 12 Ca 0.10 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.60 1wil n VAL 12 Cb 0.52 -1.04 -0.12 0.00 -1.06 0.00 0.00 33.84 32.15 1wil n VAL 12 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1wil s VAL 13 N -1.30 4.64 -0.09 1.55 1.01 -1.26 -5.08 120.40 119.86 1wil s VAL 13 Ca 0.64 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1wil s VAL 13 Cb -0.57 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1wil s VAL 13 CO 0.57 0.19 -0.12 0.54 0.00 0.00 0.00 175.10 176.28 1wil s ASN 14 N 1.64 4.20 0.15 3.32 4.22 -1.26 -4.99 114.94 122.22 1wil s ASN 14 Ca 0.06 -0.21 0.17 0.00 -2.14 0.00 0.00 52.86 50.74 1wil s ASN 14 Cb -0.16 -1.27 0.77 0.00 1.28 0.00 0.00 41.25 41.86 1wil s ASN 14 CO 0.06 0.27 1.53 0.47 -2.04 0.00 0.00 177.10 177.39 1wil n ASP 15 N 2.86 0.35 -3.00 3.54 9.92 -1.26 -3.36 116.55 125.59 1wil n ASP 15 Ca -0.18 0.60 -0.35 0.00 -0.53 0.00 0.00 54.79 54.34 1wil n ASP 15 Cb 0.53 -0.67 -0.02 0.00 -0.64 0.00 0.00 41.12 40.32 1wil n ASP 15 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1wil n GLU 16 N -1.90 3.50 -3.96 -1.24 4.71 -1.26 -4.78 120.64 115.71 1wil n GLU 16 Ca 0.02 -3.16 -0.35 0.00 -0.01 0.00 0.00 57.16 53.66 1wil n GLU 16 Cb 0.16 -2.35 -0.14 0.00 -1.01 0.00 0.00 31.44 28.09 1wil n GLU 16 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1wil s MET 17 N -2.27 3.27 0.15 3.49 -1.94 -1.21 -4.57 119.30 116.22 1wil s MET 17 Ca 0.54 -0.68 -0.20 0.00 -1.71 0.00 0.00 55.69 53.63 1wil s MET 17 Cb 0.31 -2.91 -0.12 0.00 2.01 0.00 0.00 34.83 34.12 1wil s MET 17 CO -0.21 -0.21 0.36 0.00 -0.01 0.00 0.00 175.02 174.96 1wil n ASP 19 N 1.46 0.24 -0.00 0.00 5.68 -1.05 0.12 116.55 123.00 1wil n ASP 19 Ca 0.13 -0.54 0.01 0.00 -0.50 0.00 0.00 54.79 53.88 1wil n ASP 19 Cb 0.19 -0.13 -0.01 0.00 -1.14 0.00 0.00 41.12 40.02 1wil n ASP 19 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1wil n VAL 20 N -1.04 0.00 0.00 2.12 0.31 -1.26 -4.77 118.33 113.69 1wil n VAL 20 Ca 0.17 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1wil n VAL 20 Cb 0.23 0.72 0.00 0.00 -0.91 0.00 0.00 33.84 33.88 1wil n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wil n GLU 22 N -1.34 -6.17 -3.95 0.00 -0.58 0.32 -4.89 120.64 104.03 1wil n GLU 22 Ca 0.00 0.79 -0.10 0.00 -0.42 0.00 0.00 57.16 57.43 1wil n GLU 22 Cb 0.22 -5.72 -0.11 0.00 -0.57 0.00 0.00 31.44 25.25 1wil n GLU 22 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1wil s VAL 23 N -3.24 0.09 0.31 2.62 -7.23 -1.26 -4.74 120.40 106.96 1wil s VAL 23 Ca 0.50 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 1wil s VAL 23 Cb -0.23 -0.26 0.00 0.00 0.56 0.00 0.00 36.38 36.45 1wil s VAL 23 CO 0.61 -0.42 0.03 -2.67 -0.31 0.00 0.00 175.10 172.34 1wil n TRP 24 N 1.76 0.53 -3.59 2.82 4.27 -1.26 -3.45 117.44 118.51 1wil n TRP 24 Ca -0.22 -1.50 -0.16 0.00 -3.89 0.00 0.00 57.50 51.72 1wil n TRP 24 Cb 0.56 -0.21 -0.07 0.00 -1.36 0.00 0.00 31.31 30.23 1wil n TRP 24 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 1wil s THR 25 N -2.05 0.01 0.15 -1.67 2.01 -1.26 -5.06 115.64 107.76 1wil s THR 25 Ca 0.02 -0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 1wil s THR 25 Cb -0.00 -0.91 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 1wil s THR 25 CO 0.01 -0.04 1.48 0.00 -0.69 0.00 0.00 174.62 175.37 1wil n ALA 26 N 1.35 -0.58 -0.47 7.40 0.00 -1.26 -4.52 120.51 122.44 1wil n ALA 26 Ca -0.18 0.77 -0.25 0.00 0.00 0.00 0.00 53.44 53.78 1wil n ALA 26 Cb 0.57 -0.09 0.20 0.00 0.00 0.00 0.00 19.45 20.13 1wil n ALA 26 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wil n GLU 27 N -5.05 -2.91 -2.15 0.00 0.28 -1.26 -4.89 120.64 104.66 1wil n GLU 27 Ca 0.02 -0.85 -0.41 0.00 -0.16 0.00 0.00 57.16 55.76 1wil n GLU 27 Cb 0.24 -1.70 -0.02 0.00 1.43 0.00 0.00 31.44 31.38 1wil n GLU 27 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1wil s SER 28 N -2.29 6.82 0.06 -1.84 0.01 -1.26 -5.01 113.70 110.18 1wil s SER 28 Ca 0.51 2.61 -0.10 0.00 1.31 0.00 0.00 55.95 60.29 1wil s SER 28 Cb -0.11 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.43 1wil s SER 28 CO 0.49 -0.51 0.39 -0.22 0.41 0.00 0.00 173.24 173.79 1wil s LEU 29 N -1.42 4.37 0.29 2.44 2.96 -1.26 -4.90 118.68 121.17 1wil s LEU 29 Ca 0.50 0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 55.15 1wil s LEU 29 Cb -0.39 -2.87 -0.06 0.00 0.50 0.00 0.00 46.19 43.37 1wil s LEU 29 CO 0.49 0.21 0.58 -0.36 -1.32 0.00 0.00 176.35 175.95 1wil s PHE 30 N -1.33 3.47 -0.00 5.38 0.40 -1.26 -3.21 117.98 121.43 1wil s PHE 30 Ca 0.31 0.73 -0.24 0.00 -0.60 0.00 0.00 56.93 57.13 1wil s PHE 30 Cb -0.14 -2.17 -0.19 0.00 0.51 0.00 0.00 43.02 41.03 1wil s PHE 30 CO 0.17 0.15 1.29 -1.00 0.70 0.00 0.00 175.22 176.53 1wil h PRO 31 N 1.76 0.11 -5.37 0.24 0.13 -1.81 -1.32 132.00 125.73 1wil h PRO 31 Ca -0.47 -0.06 -0.66 0.00 -0.87 0.00 0.00 66.00 63.94 1wil h PRO 31 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 1wil h PRO 31 CO 0.66 0.57 -0.52 0.00 -0.23 0.00 0.00 178.00 178.48 1wil n ARG 33 N -1.22 0.56 0.13 0.00 3.00 -1.24 -4.56 116.66 113.33 1wil n ARG 33 Ca -0.14 0.41 -0.14 0.00 -0.00 0.00 0.00 57.85 57.98 1wil n ARG 33 Cb 0.67 -1.61 -0.08 0.00 0.00 0.00 0.00 32.46 31.44 1wil n ARG 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1wil h VAL 34 N -1.00 0.83 -0.30 5.15 2.07 -1.98 -3.40 116.25 117.62 1wil h VAL 34 Ca -0.40 -0.14 -0.37 0.00 0.82 0.00 0.00 66.70 66.62 1wil h VAL 34 Cb 1.28 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 1wil h VAL 34 CO -0.24 0.03 1.56 0.00 0.02 0.00 0.00 177.57 178.94 1wil n THR 36 N 7.09 -0.40 -1.73 0.00 -1.04 -1.26 -3.78 114.28 113.15 1wil n THR 36 Ca 0.59 1.56 -0.39 0.00 -2.04 0.00 0.00 64.05 63.78 1wil n THR 36 Cb 0.21 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 66.70 1wil n THR 36 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1wil s ARG 37 N -5.45 2.63 -0.12 -2.82 6.06 -1.26 -4.51 118.95 113.47 1wil s ARG 37 Ca -0.08 1.40 -0.03 0.00 -2.50 0.00 0.00 55.73 54.52 1wil s ARG 37 Cb 0.10 -4.44 -0.03 0.00 0.06 0.00 0.00 34.95 30.64 1wil s ARG 37 CO 0.43 -2.69 -0.02 0.14 -2.50 0.00 0.00 175.30 170.66 1wil s VAL 38 N 9.89 4.04 -0.17 7.11 -7.23 -1.25 -4.74 120.40 128.05 1wil s VAL 38 Ca 0.90 -0.32 -0.08 0.00 -1.81 0.00 0.00 61.98 60.66 1wil s VAL 38 Cb -0.21 -2.74 0.07 0.00 0.56 0.00 0.00 36.38 34.07 1wil s VAL 38 CO 0.28 0.54 0.39 0.72 -0.31 0.00 0.00 175.10 176.72 1wil s PHE 39 N -0.15 -0.64 0.18 2.82 -0.12 -0.50 -2.51 117.98 117.05 1wil s PHE 39 Ca 0.04 1.32 -0.32 0.00 -0.05 0.00 0.00 56.93 57.92 1wil s PHE 39 Cb -0.13 0.24 -0.11 0.00 -0.63 0.00 0.00 43.02 42.39 1wil s PHE 39 CO 0.02 -0.39 1.70 -1.01 -0.05 0.00 0.00 175.22 175.49 1wil s HIS 40 N 1.95 2.79 0.33 3.49 3.76 -1.25 -2.83 115.29 123.53 1wil s HIS 40 Ca -0.06 0.35 0.10 0.00 -0.15 0.00 0.00 55.06 55.30 1wil s HIS 40 Cb -0.10 -4.09 0.89 0.00 1.11 0.00 0.00 32.58 30.39 1wil s HIS 40 CO -0.12 -4.17 1.74 0.38 -0.85 0.00 0.00 174.74 171.72 1wil h ASP 41 N 7.18 0.67 -0.17 1.40 2.03 -2.00 0.14 116.42 125.68 1wil h ASP 41 Ca -0.43 0.12 -0.13 0.00 -0.73 0.00 0.00 57.03 55.86 1wil h ASP 41 Cb 1.20 0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 1wil h ASP 41 CO 0.94 0.14 -0.35 1.23 -1.03 0.00 0.00 179.24 180.17 1wil h GLY 42 N 0.59 0.74 1.77 7.15 0.00 -2.00 -2.81 103.07 108.53 1wil h GLY 42 Ca 0.63 -0.71 0.03 0.00 0.00 0.00 0.00 47.33 47.27 1wil h GLY 42 CO -0.43 0.64 0.09 0.00 0.00 0.00 0.00 176.54 176.83 1wil h LEU 44 N 0.00 -0.03 -0.85 0.00 3.38 -1.25 -2.72 115.31 113.85 1wil h LEU 44 Ca 0.05 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1wil h LEU 44 Cb 0.22 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1wil h LEU 44 CO -0.00 0.49 0.49 0.08 0.09 0.00 0.00 178.44 179.59 1wil h ARG 45 N -1.01 0.80 0.00 1.13 0.11 -1.35 0.23 114.38 114.29 1wil h ARG 45 Ca -0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1wil h ARG 45 Cb 0.08 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 30.98 1wil h ARG 45 CO 0.01 0.53 0.00 -2.13 0.10 0.00 0.00 179.97 178.48 1wil n ARG 46 N -4.72 0.00 -0.36 0.08 0.00 0.39 -3.66 116.66 108.39 1wil n ARG 46 Ca 0.14 0.44 -0.04 0.00 -0.00 0.00 0.00 57.85 58.39 1wil n ARG 46 Cb 0.28 -1.35 0.01 0.00 0.00 0.00 0.00 32.46 31.40 1wil n ARG 46 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 1wil h MET 47 N 0.00 -0.03 0.00 -0.14 2.86 -1.46 -3.45 114.93 112.71 1wil h MET 47 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1wil h MET 47 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1wil h MET 47 CO 0.00 -0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.36 1wil n GLY 48 N -1.43 0.21 0.09 8.32 0.00 -0.33 -5.07 105.19 106.97 1wil n GLY 48 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1wil n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wil n TYR 49 N 0.00 0.00 0.00 1.61 4.01 0.67 -4.88 117.16 118.57 1wil n TYR 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wil n TYR 49 Cb 0.00 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 1wil n TYR 49 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1wil n ILE 50 N -2.95 0.00 -4.34 -0.72 5.41 -1.23 -4.96 119.36 110.57 1wil n ILE 50 Ca -0.31 0.48 -0.37 0.00 1.00 0.00 0.00 62.75 63.55 1wil n ILE 50 Cb 0.86 -1.48 -0.08 0.00 -0.71 0.00 0.00 39.64 38.24 1wil n ILE 50 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1wil n GLN 51 N -2.47 -0.79 -5.22 0.38 7.27 -1.26 -4.90 117.38 110.39 1wil n GLN 51 Ca 0.00 0.12 -0.30 0.00 0.07 0.00 0.00 57.00 56.89 1wil n GLN 51 Cb 0.00 -4.14 -0.16 0.00 2.41 0.00 0.00 30.24 28.35 1wil n GLN 51 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1wil s GLY 52 N -3.50 1.23 -0.90 1.69 0.00 -1.26 -5.06 107.32 99.53 1wil s GLY 52 Ca 0.55 -1.09 -0.25 0.00 0.00 0.00 0.00 44.72 43.94 1wil s GLY 52 CO 0.97 -0.91 1.94 -0.35 0.00 0.00 0.00 173.10 174.74 1wil s ASP 53 N -0.64 5.17 -0.39 1.64 2.15 -1.26 -4.76 116.67 118.58 1wil s ASP 53 Ca 0.10 -0.66 0.05 0.00 0.43 0.00 0.00 52.55 52.47 1wil s ASP 53 Cb -0.10 -2.56 0.45 0.00 -0.30 0.00 0.00 42.92 40.42 1wil s ASP 53 CO -0.01 -2.72 1.36 -1.54 -0.17 0.00 0.00 175.17 172.10 1wil n SER 54 N 13.87 5.49 -4.70 -0.34 3.41 -1.26 -5.05 113.62 125.03 1wil n SER 54 Ca 0.40 -3.76 -0.64 0.00 -0.26 0.00 0.00 58.87 54.61 1wil n SER 54 Cb 0.47 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 1wil n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wil n ALA 55 N -0.72 -0.83 -2.16 7.33 0.00 -1.26 -4.93 120.51 117.94 1wil n ALA 55 Ca 0.47 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 54.25 1wil n ALA 55 Cb 0.86 -2.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 1wil n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wil s ALA 56 N 3.46 0.89 -0.47 0.00 0.00 -1.26 -5.05 121.76 119.33 1wil s ALA 56 Ca 1.04 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1wil s ALA 56 Cb -1.35 0.53 0.34 0.00 0.00 0.00 0.00 23.12 22.64 1wil s ALA 56 CO 0.75 -0.38 2.00 0.39 0.00 0.00 0.00 175.76 178.52 1wil n GLU 57 N -0.06 2.20 -3.79 0.00 -0.58 -1.26 -4.86 120.64 112.28 1wil n GLU 57 Ca -0.09 -2.36 -0.13 0.00 -0.42 0.00 0.00 57.16 54.16 1wil n GLU 57 Cb 0.62 -1.93 -0.13 0.00 -0.57 0.00 0.00 31.44 29.44 1wil n GLU 57 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1wil s VAL 58 N -3.41 -0.02 0.00 2.62 0.11 -1.26 -5.09 120.40 113.35 1wil s VAL 58 Ca 0.47 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 1wil s VAL 58 Cb 0.37 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.99 1wil s VAL 58 CO -0.00 0.03 0.00 0.41 -3.33 0.00 0.00 175.10 172.21 1wil n THR 59 N 3.51 0.00 -3.52 5.04 -1.04 -1.26 -4.98 114.28 112.04 1wil n THR 59 Ca -0.18 0.34 -0.18 0.00 -2.04 0.00 0.00 64.05 61.98 1wil n THR 59 Cb 0.56 -1.13 -0.13 0.00 -1.82 0.00 0.00 70.33 67.81 1wil n THR 59 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1wil s GLU 60 N -0.67 0.17 -0.34 -2.82 2.02 -1.26 -5.03 118.70 110.78 1wil s GLU 60 Ca 0.00 0.25 0.12 0.00 0.02 0.00 0.00 54.97 55.36 1wil s GLU 60 Cb 0.00 -1.10 0.46 0.00 0.10 0.00 0.00 34.13 33.59 1wil s GLU 60 CO 0.00 -0.61 1.09 -1.33 0.02 0.00 0.00 175.26 174.43 1wil n MET 61 N 5.32 2.57 -0.14 1.61 2.81 -1.26 -4.82 117.12 123.21 1wil n MET 61 Ca -0.05 -3.91 -0.27 0.00 -1.81 0.00 0.00 57.70 51.65 1wil n MET 61 Cb 0.50 -1.88 -0.10 0.00 -0.71 0.00 0.00 33.22 31.03 1wil n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wil n ALA 62 N -0.46 1.27 -0.34 3.04 0.00 -1.26 -2.30 120.51 120.47 1wil n ALA 62 Ca 0.26 -1.09 -0.03 0.00 0.00 0.00 0.00 53.44 52.58 1wil n ALA 62 Cb 0.81 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.36 1wil n ALA 62 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wil n HIS 63 N -4.06 -0.08 -1.30 0.00 -0.00 -1.26 -4.51 115.22 104.00 1wil n HIS 63 Ca -0.52 1.05 -0.38 0.00 -0.00 0.00 0.00 57.72 57.86 1wil n HIS 63 Cb 0.90 -0.75 0.02 0.00 -0.00 0.00 0.00 29.99 30.16 1wil n HIS 63 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1wil n THR 64 N -5.20 0.72 0.14 3.57 -2.24 -1.26 -4.87 114.28 105.15 1wil n THR 64 Ca 0.07 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 1wil n THR 64 Cb 0.31 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 1wil n THR 64 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wil h GLU 65 N 0.00 -0.46 -3.52 -0.78 4.81 -1.96 -3.32 114.58 109.36 1wil h GLU 65 Ca -0.43 0.03 -0.74 0.00 -0.13 0.00 0.00 59.36 58.09 1wil h GLU 65 Cb 1.42 0.10 -0.32 0.00 0.63 0.00 0.00 28.75 30.59 1wil h GLU 65 CO 0.43 -0.31 0.01 0.95 -0.73 0.00 0.00 179.01 179.36 1wil s THR 66 N -6.08 4.83 0.00 0.32 -4.23 -1.26 -4.93 115.64 104.29 1wil s THR 66 Ca -0.16 -3.31 0.00 0.00 -1.18 0.00 0.00 61.69 57.05 1wil s THR 66 Cb 0.07 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1wil s THR 66 CO 0.65 -1.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1wil n GLY 67 N 2.98 2.56 3.79 3.99 0.00 -1.25 -5.01 105.19 112.24 1wil n GLY 67 Ca 0.18 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1wil n GLY 67 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wil s TRP 68 N 2.42 3.54 -0.25 1.61 0.52 -0.97 -4.78 118.94 121.03 1wil s TRP 68 Ca 0.00 0.61 -0.06 0.00 0.02 0.00 0.00 56.10 56.66 1wil s TRP 68 Cb 0.00 -2.19 -0.01 0.00 -1.15 0.00 0.00 33.47 30.12 1wil s TRP 68 CO 0.00 0.46 0.04 -1.54 0.02 0.00 0.00 176.95 175.93 1wil s SER 69 N -0.25 4.90 1.09 2.95 1.04 -1.26 -4.80 113.70 117.37 1wil s SER 69 Ca 0.16 -0.38 -0.18 0.00 0.48 0.00 0.00 55.95 56.04 1wil s SER 69 Cb -0.13 -1.86 0.12 0.00 0.10 0.00 0.00 66.02 64.25 1wil s SER 69 CO 0.05 -0.07 0.06 0.00 0.98 0.00 0.00 173.24 174.26 1wil h HIS 71 N -2.31 0.04 -0.74 0.00 2.76 -1.99 -0.84 115.15 112.07 1wil h HIS 71 Ca -0.41 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 57.83 1wil h HIS 71 Cb 1.14 -0.01 -0.11 0.00 1.55 0.00 0.00 27.41 29.98 1wil h HIS 71 CO -1.21 0.33 -0.54 1.88 -1.30 0.00 0.00 177.93 177.09 1wil h TYR 72 N -0.27 -1.69 0.01 5.26 0.05 -1.99 -1.65 116.97 116.69 1wil h TYR 72 Ca 0.01 0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 1wil h TYR 72 Cb 0.32 0.84 0.00 0.00 1.01 0.00 0.00 36.73 38.89 1wil h TYR 72 CO 0.03 -0.42 -0.00 0.00 -1.05 0.00 0.00 178.16 176.72 1wil n ASP 74 N -4.97 -2.25 -4.79 0.00 8.00 -0.32 -4.89 116.55 107.32 1wil n ASP 74 Ca -0.08 -1.08 -0.36 0.00 0.71 0.00 0.00 54.79 53.98 1wil n ASP 74 Cb 0.15 -2.47 -0.06 0.00 -0.02 0.00 0.00 41.12 38.72 1wil n ASP 74 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1wil s ASN 75 N -3.52 7.16 -0.43 -2.24 -0.87 -1.26 -4.96 114.94 108.82 1wil s ASN 75 Ca 0.60 1.86 -0.01 0.00 -1.57 0.00 0.00 52.86 53.73 1wil s ASN 75 Cb -0.33 -2.57 0.28 0.00 -0.02 0.00 0.00 41.25 38.60 1wil s ASN 75 CO 0.95 -0.20 2.06 2.30 -2.57 0.00 0.00 177.10 179.65 1wil n ILE 76 N 0.25 3.07 0.36 0.60 -5.35 -1.26 -4.60 119.36 112.42 1wil n ILE 76 Ca 0.03 -2.13 -0.14 0.00 -0.27 0.00 0.00 62.75 60.24 1wil n ILE 76 Cb 0.51 -1.30 -0.07 0.00 -1.74 0.00 0.00 39.64 37.04 1wil n ILE 76 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1wil h ASN 77 N 1.72 -0.78 -0.88 7.28 -1.24 -1.97 -3.45 115.58 116.26 1wil h ASN 77 Ca 0.39 0.03 -0.61 0.00 0.71 0.00 0.00 56.30 56.82 1wil h ASN 77 Cb 0.86 0.20 0.09 0.00 0.73 0.00 0.00 38.32 40.20 1wil h ASN 77 CO 1.02 -0.48 -0.38 -0.11 -1.29 0.00 0.00 177.43 176.18 1wil n LEU 78 N -4.92 -0.92 -4.47 0.34 7.94 -1.26 -4.81 117.00 108.90 1wil n LEU 78 Ca -0.11 1.00 -0.43 0.00 -1.11 0.00 0.00 56.01 55.35 1wil n LEU 78 Cb 0.36 -0.83 -0.03 0.00 0.53 0.00 0.00 43.42 43.45 1wil n LEU 78 CO 0.28 -2.47 0.98 -0.22 -1.11 0.00 0.00 177.39 174.84 1wil s LEU 79 N 2.20 4.58 -0.13 -1.96 2.96 -1.26 -4.94 118.68 120.13 1wil s LEU 79 Ca 0.60 -1.58 -0.31 0.00 -0.22 0.00 0.00 54.13 52.63 1wil s LEU 79 Cb -0.87 -2.43 0.13 0.00 0.50 0.00 0.00 46.19 43.52 1wil s LEU 79 CO 0.49 -1.27 1.03 -0.22 -1.32 0.00 0.00 176.35 175.07 1wil s LEU 80 N 3.53 -0.30 -0.00 -0.68 2.96 -1.26 -5.12 118.68 117.80 1wil s LEU 80 Ca 0.31 0.18 -0.31 0.00 -0.22 0.00 0.00 54.13 54.09 1wil s LEU 80 Cb -0.08 1.76 -0.10 0.00 0.50 0.00 0.00 46.19 48.27 1wil s LEU 80 CO -0.02 -0.38 1.96 1.07 -1.32 0.00 0.00 176.35 177.65 1wil n THR 81 N 0.27 0.72 -2.14 3.68 5.66 -1.26 -4.88 114.28 116.33 1wil n THR 81 Ca -0.07 -0.13 -0.24 0.00 -3.05 0.00 0.00 64.05 60.56 1wil n THR 81 Cb 0.59 -2.21 0.02 0.00 -1.55 0.00 0.00 70.33 67.18 1wil n THR 81 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1wil n GLU 82 N 7.33 3.51 -1.17 1.09 4.07 -1.26 -5.06 120.64 129.15 1wil n GLU 82 Ca 0.21 -4.21 -0.52 0.00 -0.06 0.00 0.00 57.16 52.58 1wil n GLU 82 Cb 0.38 -2.25 -0.09 0.00 -0.06 0.00 0.00 31.44 29.42 1wil n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1wil n GLU 83 N -0.66 0.00 -3.59 5.31 2.13 -1.26 -4.90 120.64 117.67 1wil n GLU 83 Ca 0.42 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 58.04 1wil n GLU 83 Cb 0.90 -1.23 -0.01 0.00 0.27 0.00 0.00 31.44 31.37 1wil n GLU 83 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1wil s SER 84 N 4.07 5.79 -0.44 4.31 1.04 -1.26 -5.08 113.70 122.13 1wil s SER 84 Ca 0.94 -0.26 0.07 0.00 0.48 0.00 0.00 55.95 57.18 1wil s SER 84 Cb -1.23 -1.18 0.24 0.00 0.10 0.00 0.00 66.02 63.94 1wil s SER 84 CO 0.59 -0.39 0.53 0.61 0.98 0.00 0.00 173.24 175.56 1wil n GLY 85 N -1.55 3.11 3.77 7.32 0.00 -1.26 -5.12 105.19 111.45 1wil n GLY 85 Ca -0.01 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 1wil n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wil s PRO 86 N -1.23 2.52 -0.15 1.61 0.04 -1.26 -4.90 135.00 131.63 1wil s PRO 86 Ca 0.35 1.28 -0.33 0.00 0.04 0.00 0.00 61.00 62.34 1wil s PRO 86 Cb 0.14 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 1wil s PRO 86 CO -0.11 -1.45 2.01 -1.13 0.04 0.00 0.00 177.00 176.36 1wil n SER 87 N -2.97 3.25 -4.70 6.66 3.41 -1.26 -4.78 113.62 113.22 1wil n SER 87 Ca 0.10 0.72 -0.66 0.00 -0.26 0.00 0.00 58.87 58.77 1wil n SER 87 Cb 0.52 -1.40 -0.10 0.00 -0.26 0.00 0.00 64.21 62.98 1wil n SER 87 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wil n SER 88 N 8.25 1.29 0.00 4.04 7.64 -1.26 -5.34 113.62 128.24 1wil n SER 88 Ca 0.27 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1wil n SER 88 Cb 0.32 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1wil n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64