#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 0.33 0.16 1.61 0.01 -1.26 -5.12 113.70 109.43 1wil s SER 2 Ca 0.00 -0.56 -0.33 0.00 1.31 0.00 0.00 55.95 56.37 1wil s SER 2 Cb 0.00 0.10 -0.16 0.00 0.21 0.00 0.00 66.02 66.17 1wil s SER 2 CO 0.00 -0.32 1.10 -0.24 0.41 0.00 0.00 173.24 174.19 1wil n SER 3 N 1.42 1.00 -3.68 2.44 2.88 -1.26 -4.87 113.62 111.55 1wil n SER 3 Ca -0.23 1.14 -0.41 0.00 -1.33 0.00 0.00 58.87 58.04 1wil n SER 3 Cb 0.56 -1.16 0.02 0.00 -0.75 0.00 0.00 64.21 62.87 1wil n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wil n GLY 4 N 1.96 6.04 3.77 0.46 0.00 -1.26 -5.00 105.19 111.16 1wil n GLY 4 Ca 0.16 -2.59 -0.37 0.00 0.00 0.00 0.00 46.02 43.21 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 -1.41 6.64 0.19 1.61 0.01 -1.26 -4.99 113.70 114.49 1wil s SER 5 Ca 0.38 0.76 -0.13 0.00 1.31 0.00 0.00 55.95 58.27 1wil s SER 5 Cb 0.17 -2.23 0.21 0.00 0.21 0.00 0.00 66.02 64.38 1wil s SER 5 CO -0.10 0.16 1.69 0.28 0.41 0.00 0.00 173.24 175.68 1wil h SER 6 N 5.94 -0.17 -1.86 2.44 0.02 -2.05 -3.47 113.55 114.40 1wil h SER 6 Ca -0.45 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1wil h SER 6 Cb 1.19 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1wil h SER 6 CO 0.70 -0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 1wil n GLY 7 N -1.32 0.03 0.23 -3.77 0.00 -1.26 -5.00 105.19 94.10 1wil n GLY 7 Ca 0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1wil n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wil h PRO 8 N 0.00 0.60 -5.94 1.61 0.13 -2.06 -3.46 132.00 122.89 1wil h PRO 8 Ca 0.00 -0.31 -0.32 0.00 -0.87 0.00 0.00 66.00 64.50 1wil h PRO 8 Cb 0.42 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.44 1wil h PRO 8 CO 0.00 0.91 -0.49 2.89 -0.23 0.00 0.00 178.00 181.08 1wil n ARG 9 N -4.02 -0.95 -4.51 0.86 1.85 -1.26 -4.86 116.66 103.76 1wil n ARG 9 Ca -0.02 0.05 -0.33 0.00 -1.00 0.00 0.00 57.85 56.55 1wil n ARG 9 Cb 0.53 -1.92 -0.13 0.00 -1.05 0.00 0.00 32.46 29.89 1wil n ARG 9 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1wil s GLU 10 N -5.09 3.53 0.04 2.89 -1.05 -1.26 -5.09 118.70 112.67 1wil s GLU 10 Ca 0.06 -0.60 -0.31 0.00 -0.15 0.00 0.00 54.97 53.98 1wil s GLU 10 Cb -0.04 -2.81 -0.06 0.00 -0.44 0.00 0.00 34.13 30.78 1wil s GLU 10 CO 0.51 0.19 1.41 -1.25 0.95 0.00 0.00 175.26 177.08 1wil s PRO 11 N 0.46 4.29 0.04 -4.83 0.04 -1.26 -5.02 135.00 128.72 1wil s PRO 11 Ca -0.06 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.01 1wil s PRO 11 Cb -0.15 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 1wil s PRO 11 CO 0.04 -0.53 -0.05 0.14 0.04 0.00 0.00 177.00 176.63 1wil s VAL 12 N 1.97 0.33 -0.08 -0.36 -7.23 -1.26 -5.15 120.40 108.62 1wil s VAL 12 Ca 0.65 -1.27 -0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1wil s VAL 12 Cb -0.34 -0.80 0.03 0.00 0.56 0.00 0.00 36.38 35.83 1wil s VAL 12 CO 0.28 -0.62 -0.01 0.68 -0.31 0.00 0.00 175.10 175.12 1wil s VAL 13 N -2.22 0.49 0.35 1.32 -7.23 -1.26 -5.13 120.40 106.72 1wil s VAL 13 Ca -0.06 0.05 -0.04 0.00 -1.81 0.00 0.00 61.98 60.12 1wil s VAL 13 Cb -0.04 -0.62 0.02 0.00 0.56 0.00 0.00 36.38 36.29 1wil s VAL 13 CO -0.03 0.28 0.53 0.59 -0.31 0.00 0.00 175.10 176.16 1wil n ASN 14 N 5.11 -1.49 0.00 4.85 3.02 -1.26 -5.08 115.26 120.41 1wil n ASN 14 Ca -0.08 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 1wil n ASN 14 Cb 0.50 2.71 0.00 0.00 -0.61 0.00 0.00 39.78 42.38 1wil n ASN 14 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wil n ASP 15 N -1.61 3.99 -1.74 6.41 9.92 -1.26 -4.75 116.55 127.51 1wil n ASP 15 Ca -0.01 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.19 1wil n ASP 15 Cb 0.58 0.25 -0.07 0.00 -0.64 0.00 0.00 41.12 41.24 1wil n ASP 15 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1wil n GLU 16 N -2.05 1.47 -4.40 -1.24 2.13 -1.26 -4.68 120.64 110.61 1wil n GLU 16 Ca 0.00 -0.52 -0.34 0.00 0.66 0.00 0.00 57.16 56.96 1wil n GLU 16 Cb 0.44 -1.46 -0.11 0.00 0.27 0.00 0.00 31.44 30.57 1wil n GLU 16 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1wil s MET 17 N 0.32 3.42 0.38 5.31 -1.94 -1.26 -4.00 119.30 121.54 1wil s MET 17 Ca 0.30 -0.49 -0.25 0.00 -1.71 0.00 0.00 55.69 53.55 1wil s MET 17 Cb 0.15 -2.86 -0.12 0.00 2.01 0.00 0.00 34.83 34.01 1wil s MET 17 CO -0.00 0.40 0.91 0.00 -0.01 0.00 0.00 175.02 176.32 1wil n ASP 19 N 0.86 0.14 0.00 0.00 2.03 -0.99 0.74 116.55 119.33 1wil n ASP 19 Ca 0.10 -1.06 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1wil n ASP 19 Cb 0.37 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1wil n ASP 19 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1wil n VAL 20 N -0.88 0.00 0.00 5.18 0.31 -1.26 -4.82 118.33 116.85 1wil n VAL 20 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1wil n VAL 20 Cb 0.13 0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 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 -1.78 -6.35 -3.78 0.00 1.02 0.23 -4.85 120.64 105.12 1wil n GLU 22 Ca 0.00 0.76 -0.13 0.00 -0.02 0.00 0.00 57.16 57.77 1wil n GLU 22 Cb 0.35 -5.54 -0.11 0.00 -0.02 0.00 0.00 31.44 26.13 1wil n GLU 22 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wil s VAL 23 N -3.31 0.01 0.56 2.62 -7.23 -1.26 -4.66 120.40 107.12 1wil s VAL 23 Ca 0.17 -0.08 0.04 0.00 -1.81 0.00 0.00 61.98 60.30 1wil s VAL 23 Cb -0.07 -0.43 0.04 0.00 0.56 0.00 0.00 36.38 36.47 1wil s VAL 23 CO 0.66 -0.04 0.32 -1.66 -0.31 0.00 0.00 175.10 174.06 1wil s TRP 24 N -0.07 1.52 -0.03 2.82 1.48 -1.26 -3.13 118.94 120.28 1wil s TRP 24 Ca -0.02 -0.92 -0.24 0.00 -1.06 0.00 0.00 56.10 53.86 1wil s TRP 24 Cb -0.03 -1.81 0.05 0.00 -1.16 0.00 0.00 33.47 30.52 1wil s TRP 24 CO 0.01 -0.37 0.52 0.99 -4.06 0.00 0.00 176.95 174.04 1wil s THR 25 N -2.84 0.03 0.14 0.66 2.01 -1.26 -5.07 115.64 109.31 1wil s THR 25 Ca 0.24 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1wil s THR 25 Cb -0.02 -0.84 -0.08 0.00 0.01 0.00 0.00 72.50 71.56 1wil s THR 25 CO 0.15 -0.11 1.51 0.00 -0.69 0.00 0.00 174.62 175.48 1wil h ALA 26 N 3.33 -0.62 -1.76 7.40 0.00 -2.02 -3.42 119.26 122.17 1wil h ALA 26 Ca -0.28 0.06 -0.45 0.00 0.00 0.00 0.00 54.91 54.24 1wil h ALA 26 Cb 1.16 1.25 0.23 0.00 0.00 0.00 0.00 17.79 20.43 1wil h ALA 26 CO 0.40 -0.95 -0.90 -0.85 0.00 0.00 0.00 179.25 176.94 1wil n GLU 27 N -5.15 -1.79 -2.01 0.00 0.28 -1.26 -4.85 120.64 105.86 1wil n GLU 27 Ca -0.00 -0.50 -0.42 0.00 -0.16 0.00 0.00 57.16 56.07 1wil n GLU 27 Cb 0.28 -1.78 -0.03 0.00 1.43 0.00 0.00 31.44 31.34 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 -1.94 6.68 0.07 -1.84 0.01 -1.26 -4.97 113.70 110.44 1wil s SER 28 Ca 0.58 2.39 -0.29 0.00 1.31 0.00 0.00 55.95 59.94 1wil s SER 28 Cb -0.14 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1wil s SER 28 CO 0.66 -0.83 0.93 -0.22 0.41 0.00 0.00 173.24 174.19 1wil s LEU 29 N 2.43 4.45 0.39 2.44 0.20 -1.26 -4.92 118.68 122.41 1wil s LEU 29 Ca 0.71 1.69 -0.15 0.00 0.69 0.00 0.00 54.13 57.07 1wil s LEU 29 Cb -0.38 -3.52 -0.08 0.00 -0.43 0.00 0.00 46.19 41.78 1wil s LEU 29 CO 0.31 -0.11 0.81 -0.36 -0.29 0.00 0.00 176.35 176.71 1wil s PHE 30 N 0.28 3.40 0.01 5.38 0.08 -1.26 -2.86 117.98 123.01 1wil s PHE 30 Ca 0.47 1.27 -0.23 0.00 0.12 0.00 0.00 56.93 58.56 1wil s PHE 30 Cb -0.22 -2.60 -0.17 0.00 -0.57 0.00 0.00 43.02 39.46 1wil s PHE 30 CO 0.28 -0.05 1.31 -1.00 -0.10 0.00 0.00 175.22 175.65 1wil h PRO 31 N 1.75 0.18 0.00 0.24 0.13 -1.75 -2.38 132.00 130.18 1wil h PRO 31 Ca -0.48 -0.10 -0.57 0.00 -0.87 0.00 0.00 66.00 63.99 1wil h PRO 31 Cb 1.18 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1wil h PRO 31 CO 0.64 0.62 -0.47 0.00 -0.23 0.00 0.00 178.00 178.55 1wil n ARG 33 N -0.94 1.26 0.22 0.00 1.85 -1.25 -4.66 116.66 113.14 1wil n ARG 33 Ca -0.06 -0.02 -0.10 0.00 -1.00 0.00 0.00 57.85 56.66 1wil n ARG 33 Cb 0.62 -1.09 -0.05 0.00 -1.05 0.00 0.00 32.46 30.89 1wil n ARG 33 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1wil h VAL 34 N 0.00 0.11 -1.76 8.89 2.07 -1.95 -3.46 116.25 120.15 1wil h VAL 34 Ca -0.03 -0.57 -0.62 0.00 0.82 0.00 0.00 66.70 66.29 1wil h VAL 34 Cb 0.54 0.17 0.15 0.00 -1.52 0.00 0.00 31.29 30.63 1wil h VAL 34 CO 0.00 0.02 -0.76 0.00 0.02 0.00 0.00 177.57 176.85 1wil n THR 36 N -0.85 2.33 -3.19 0.00 -1.04 -1.26 -4.57 114.28 105.70 1wil n THR 36 Ca 0.12 -0.97 0.05 0.00 -2.04 0.00 0.00 64.05 61.21 1wil n THR 36 Cb 0.38 -1.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.13 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 0.75 0.16 -0.16 -2.82 6.06 -1.26 -5.14 118.95 116.53 1wil s ARG 37 Ca 0.34 0.32 -0.04 0.00 -2.50 0.00 0.00 55.73 53.85 1wil s ARG 37 Cb 0.16 0.18 -0.03 0.00 0.06 0.00 0.00 34.95 35.33 1wil s ARG 37 CO 0.00 -0.14 -0.02 0.14 -2.50 0.00 0.00 175.30 172.78 1wil s VAL 38 N 2.74 4.04 -0.17 7.11 -7.23 -1.26 -4.80 120.40 120.82 1wil s VAL 38 Ca -0.02 -0.31 -0.08 0.00 -1.81 0.00 0.00 61.98 59.76 1wil s VAL 38 Cb -0.08 -2.78 0.06 0.00 0.56 0.00 0.00 36.38 34.15 1wil s VAL 38 CO -0.12 0.49 0.40 0.72 -0.31 0.00 0.00 175.10 176.27 1wil s PHE 39 N 0.36 -0.62 0.92 2.82 -0.71 -0.90 -2.34 117.98 117.50 1wil s PHE 39 Ca -0.03 1.29 -0.13 0.00 -1.04 0.00 0.00 56.93 57.03 1wil s PHE 39 Cb -0.14 0.25 0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1wil s PHE 39 CO 0.03 -0.37 0.52 0.72 -1.34 0.00 0.00 175.22 174.78 1wil n HIS 40 N 4.53 -1.06 0.08 3.49 8.25 -1.18 -2.19 115.22 127.15 1wil n HIS 40 Ca -0.20 0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.52 1wil n HIS 40 Cb 0.54 -1.83 -0.05 0.00 1.12 0.00 0.00 29.99 29.76 1wil n HIS 40 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1wil h ASP 41 N -1.43 0.00 1.38 0.41 1.82 -2.01 -3.31 116.42 113.28 1wil h ASP 41 Ca -0.44 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.10 1wil h ASP 41 Cb 1.29 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.28 1wil h ASP 41 CO 0.36 0.69 -0.63 1.23 -1.61 0.00 0.00 179.24 179.27 1wil h GLY 42 N 3.44 0.00 1.71 -0.78 0.00 -1.99 -3.24 103.07 102.21 1wil h GLY 42 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1wil h GLY 42 CO 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.40 1wil h LEU 44 N 0.32 -0.06 -0.88 0.00 3.38 -1.69 -2.76 115.31 113.62 1wil h LEU 44 Ca 0.05 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1wil h LEU 44 Cb 0.56 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1wil h LEU 44 CO 0.04 0.63 0.52 0.08 0.09 0.00 0.00 178.44 179.80 1wil h ARG 45 N -0.81 1.21 0.86 1.13 0.11 -1.57 0.36 114.38 115.67 1wil h ARG 45 Ca -0.01 -0.12 -0.04 0.00 0.10 0.00 0.00 59.98 59.92 1wil h ARG 45 Cb 0.65 -0.25 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1wil h ARG 45 CO 0.01 0.86 -0.45 -0.09 0.10 0.00 0.00 179.97 180.40 1wil h ARG 46 N 1.22 -1.15 0.24 0.08 1.12 -1.07 -3.24 114.38 111.57 1wil h ARG 46 Ca 0.31 0.08 -0.01 0.00 -1.11 0.00 0.00 59.98 59.25 1wil h ARG 46 Cb -0.03 0.26 0.00 0.00 -0.01 0.00 0.00 29.97 30.20 1wil h ARG 46 CO -0.06 -0.77 -0.11 0.52 -3.11 0.00 0.00 179.97 176.44 1wil h MET 47 N -1.20 -0.31 0.00 0.20 2.86 -1.41 -3.48 114.93 111.60 1wil h MET 47 Ca -0.12 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1wil h MET 47 Cb 0.93 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1wil h MET 47 CO 0.17 -0.09 0.00 0.41 1.06 0.00 0.00 176.91 178.46 1wil n GLY 48 N -0.80 0.83 0.13 8.32 0.00 0.11 -4.98 105.19 108.80 1wil n GLY 48 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 1.04 -0.01 1.61 4.01 -0.14 -4.58 117.16 119.08 1wil n TYR 49 Ca 0.00 0.28 0.03 0.00 -0.16 0.00 0.00 57.90 58.05 1wil n TYR 49 Cb 0.00 -1.13 -0.07 0.00 -0.31 0.00 0.00 39.34 37.84 1wil n TYR 49 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1wil n ILE 50 N -3.75 0.07 -3.58 -0.72 -5.35 -1.26 -5.05 119.36 99.72 1wil n ILE 50 Ca -0.34 -0.22 -0.07 0.00 -0.27 0.00 0.00 62.75 61.85 1wil n ILE 50 Cb 0.94 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.97 1wil n ILE 50 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1wil s GLN 51 N -2.56 0.45 0.16 6.28 0.74 -1.26 -5.03 119.66 118.43 1wil s GLN 51 Ca -0.03 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.33 1wil s GLN 51 Cb 0.05 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.37 1wil s GLN 51 CO 0.36 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 1wil n GLY 52 N 0.24 -0.14 3.67 2.59 0.00 -1.26 -4.00 105.19 106.29 1wil n GLY 52 Ca -0.05 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.43 1wil n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wil n ASP 53 N -3.42 2.32 -4.78 1.61 -0.08 -1.26 -4.92 116.55 106.02 1wil n ASP 53 Ca 0.00 1.08 -0.39 0.00 -1.51 0.00 0.00 54.79 53.97 1wil n ASP 53 Cb 0.03 -1.20 -0.06 0.00 2.34 0.00 0.00 41.12 42.24 1wil n ASP 53 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1wil s SER 54 N 2.51 7.20 0.21 1.67 1.04 -1.26 -5.06 113.70 120.01 1wil s SER 54 Ca 0.92 1.42 0.03 0.00 0.48 0.00 0.00 55.95 58.80 1wil s SER 54 Cb -0.97 -2.43 -0.01 0.00 0.10 0.00 0.00 66.02 62.71 1wil s SER 54 CO 0.57 0.17 0.22 0.00 0.98 0.00 0.00 173.24 175.18 1wil n ALA 55 N 2.04 0.20 -0.44 5.32 0.00 -1.26 -4.81 120.51 121.56 1wil n ALA 55 Ca -0.07 -1.12 -0.02 0.00 0.00 0.00 0.00 53.44 52.23 1wil n ALA 55 Cb 0.50 0.91 0.00 0.00 0.00 0.00 0.00 19.45 20.86 1wil n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wil n ALA 56 N -1.59 4.03 -4.09 0.00 0.00 -1.26 -4.77 120.51 112.83 1wil n ALA 56 Ca -0.08 -0.19 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 1wil n ALA 56 Cb 0.37 -1.04 -0.16 0.00 0.00 0.00 0.00 19.45 18.61 1wil n ALA 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wil s GLU 57 N -0.21 2.74 0.41 0.00 -1.05 -1.26 -5.12 118.70 114.20 1wil s GLU 57 Ca 0.04 -0.81 0.06 0.00 -0.15 0.00 0.00 54.97 54.11 1wil s GLU 57 Cb 0.03 -2.49 -0.08 0.00 -0.44 0.00 0.00 34.13 31.15 1wil s GLU 57 CO -0.00 -0.25 0.01 0.14 0.95 0.00 0.00 175.26 176.11 1wil s VAL 58 N 1.32 1.91 -0.04 1.83 -7.23 -1.26 -5.15 120.40 111.78 1wil s VAL 58 Ca 0.04 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1wil s VAL 58 Cb -0.14 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.88 1wil s VAL 58 CO -0.12 0.00 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.73 1wil s THR 59 N -2.75 0.57 0.27 5.32 2.01 -1.26 -5.15 115.64 114.66 1wil s THR 59 Ca 0.33 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 1wil s THR 59 Cb 0.09 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 1wil s THR 59 CO 0.17 0.22 0.41 -0.70 -0.69 0.00 0.00 174.62 174.03 1wil s GLU 60 N 0.72 1.59 -1.15 4.92 2.12 -1.26 -4.94 118.70 120.70 1wil s GLU 60 Ca -0.10 -1.48 -0.03 0.00 0.36 0.00 0.00 54.97 53.72 1wil s GLU 60 Cb -0.13 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.69 1wil s GLU 60 CO 0.00 -0.64 0.98 -1.33 -0.54 0.00 0.00 175.26 173.74 1wil n MET 61 N -0.41 -6.53 -0.06 4.30 2.81 -1.26 -4.96 117.12 111.01 1wil n MET 61 Ca -0.00 0.77 -0.03 0.00 -1.81 0.00 0.00 57.70 56.63 1wil n MET 61 Cb 0.63 -5.58 -0.03 0.00 -0.71 0.00 0.00 33.22 27.53 1wil n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wil h ALA 62 N 0.86 0.01 0.00 3.04 0.00 -1.92 -3.39 119.26 117.85 1wil h ALA 62 Ca -0.53 -0.15 -0.62 0.00 0.00 0.00 0.00 54.91 53.61 1wil h ALA 62 Cb 1.32 0.06 0.03 0.00 0.00 0.00 0.00 17.79 19.20 1wil h ALA 62 CO 0.48 0.06 2.51 -2.39 0.00 0.00 0.00 179.25 179.90 1wil n HIS 63 N -4.73 2.03 -4.01 0.00 1.44 -1.26 -3.30 115.22 105.40 1wil n HIS 63 Ca -0.03 -2.03 -0.10 0.00 -2.01 0.00 0.00 57.72 53.56 1wil n HIS 63 Cb 0.12 -1.84 -0.07 0.00 0.12 0.00 0.00 29.99 28.32 1wil n HIS 63 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1wil s THR 64 N 4.42 0.05 0.13 0.61 -4.23 -1.26 -5.03 115.64 110.32 1wil s THR 64 Ca 0.53 -1.50 -0.35 0.00 -1.18 0.00 0.00 61.69 59.19 1wil s THR 64 Cb 0.14 -1.99 -0.16 0.00 1.34 0.00 0.00 72.50 71.83 1wil s THR 64 CO 0.06 -0.23 1.35 1.21 -0.54 0.00 0.00 174.62 176.47 1wil n GLU 65 N -0.24 1.41 -4.48 3.99 2.13 -1.26 -1.07 120.64 121.11 1wil n GLU 65 Ca -0.05 0.51 -0.40 0.00 0.66 0.00 0.00 57.16 57.87 1wil n GLU 65 Cb 0.63 -2.14 -0.08 0.00 0.27 0.00 0.00 31.44 30.11 1wil n GLU 65 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1wil n THR 66 N 2.43 -0.25 0.00 6.31 -2.24 -1.26 -4.90 114.28 114.37 1wil n THR 66 Ca 0.17 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1wil n THR 66 Cb 0.23 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1wil n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wil n GLY 67 N -1.44 0.82 3.54 3.38 0.00 -0.24 -5.00 105.19 106.26 1wil n GLY 67 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 0.58 3.18 0.03 1.61 0.23 -1.21 -5.04 118.94 118.31 1wil s TRP 68 Ca 0.00 -0.08 0.02 0.00 -2.03 0.00 0.00 56.10 54.01 1wil s TRP 68 Cb 0.00 -2.31 -0.04 0.00 0.03 0.00 0.00 33.47 31.15 1wil s TRP 68 CO 0.00 -0.21 0.04 -1.54 0.96 0.00 0.00 176.95 176.20 1wil s SER 69 N 1.63 5.37 0.98 2.95 1.04 -1.26 -4.84 113.70 119.58 1wil s SER 69 Ca 0.07 0.02 -0.15 0.00 0.48 0.00 0.00 55.95 56.36 1wil s SER 69 Cb -0.15 -1.44 0.09 0.00 0.10 0.00 0.00 66.02 64.62 1wil s SER 69 CO 0.08 0.24 -0.03 0.00 0.98 0.00 0.00 173.24 174.51 1wil h HIS 71 N -2.27 0.76 -3.20 0.00 2.76 -2.01 -3.38 115.15 107.81 1wil h HIS 71 Ca -0.31 -0.20 -0.62 0.00 -2.20 0.00 0.00 60.37 57.05 1wil h HIS 71 Cb 0.91 -0.17 -0.40 0.00 1.55 0.00 0.00 27.41 29.30 1wil h HIS 71 CO -1.88 0.89 -0.72 1.52 -1.30 0.00 0.00 177.93 176.44 1wil s TYR 72 N -4.41 2.42 0.55 5.26 1.13 -1.26 -5.11 117.35 115.93 1wil s TYR 72 Ca -0.08 -2.51 0.07 0.00 -1.41 0.00 0.00 57.07 53.14 1wil s TYR 72 Cb 0.13 -2.19 0.06 0.00 -1.10 0.00 0.00 41.96 38.86 1wil s TYR 72 CO 0.83 -0.82 0.58 0.00 -2.51 0.00 0.00 175.55 173.63 1wil h ASP 74 N 0.50 0.33 -3.57 0.00 1.82 -1.99 -3.40 116.42 110.11 1wil h ASP 74 Ca -0.34 -0.00 -0.61 0.00 -0.39 0.00 0.00 57.03 55.68 1wil h ASP 74 Cb 1.30 -0.08 -0.13 0.00 0.68 0.00 0.00 39.33 41.10 1wil h ASP 74 CO 0.50 0.24 -0.33 0.20 -1.61 0.00 0.00 179.24 178.24 1wil s ASN 75 N -5.46 6.28 0.02 2.28 0.01 -1.26 -5.08 114.94 111.74 1wil s ASN 75 Ca -0.13 0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 1wil s ASN 75 Cb 0.10 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 1wil s ASN 75 CO 0.71 -0.04 0.11 0.27 -1.51 0.00 0.00 177.10 176.63 1wil s ILE 76 N 1.35 4.83 0.33 0.60 -4.36 -1.26 -5.09 121.20 117.61 1wil s ILE 76 Ca 0.14 -0.47 -0.10 0.00 -0.26 0.00 0.00 60.65 59.96 1wil s ILE 76 Cb -0.14 -3.26 0.02 0.00 1.25 0.00 0.00 42.46 40.32 1wil s ILE 76 CO 0.07 0.26 0.58 0.54 0.24 0.00 0.00 174.94 176.64 1wil s ASN 77 N -2.02 0.36 0.57 4.36 2.20 -1.26 -5.16 114.94 113.98 1wil s ASN 77 Ca 0.26 -1.21 -0.16 0.00 -0.94 0.00 0.00 52.86 50.81 1wil s ASN 77 Cb -0.12 0.70 -0.05 0.00 -2.00 0.00 0.00 41.25 39.78 1wil s ASN 77 CO 0.18 -1.38 1.03 -0.22 -2.94 0.00 0.00 177.10 173.77 1wil s LEU 78 N -3.12 3.54 -0.40 3.54 2.96 -1.26 -5.03 118.68 118.90 1wil s LEU 78 Ca 0.23 1.72 -0.05 0.00 -0.22 0.00 0.00 54.13 55.81 1wil s LEU 78 Cb -0.02 -4.52 0.09 0.00 0.50 0.00 0.00 46.19 42.24 1wil s LEU 78 CO 0.14 -0.95 0.21 -0.76 -1.32 0.00 0.00 176.35 173.67 1wil s LEU 79 N -4.36 5.09 1.01 -0.68 2.01 -1.26 -5.09 118.68 115.40 1wil s LEU 79 Ca 0.62 -1.74 -0.20 0.00 0.01 0.00 0.00 54.13 52.82 1wil s LEU 79 Cb -0.14 -1.88 -0.11 0.00 0.01 0.00 0.00 46.19 44.07 1wil s LEU 79 CO 0.35 -0.52 -0.74 0.00 1.01 0.00 0.00 176.35 176.45 1wil n LEU 80 N 4.74 -3.85 -4.56 1.79 -0.00 -1.26 -4.67 117.00 109.19 1wil n LEU 80 Ca -0.07 0.12 -0.27 0.00 -0.00 0.00 0.00 56.01 55.79 1wil n LEU 80 Cb 0.42 -0.78 -0.05 0.00 -0.00 0.00 0.00 43.42 43.01 1wil n LEU 80 CO 0.35 -4.34 1.39 0.42 -0.00 0.00 0.00 177.39 175.21 1wil s THR 81 N -2.09 3.37 -0.26 1.47 -4.23 -1.26 -4.93 115.64 107.71 1wil s THR 81 Ca 0.43 -0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.65 1wil s THR 81 Cb -0.10 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.88 1wil s THR 81 CO 0.74 -0.80 0.06 -1.83 -0.54 0.00 0.00 174.62 172.24 1wil s GLU 82 N 7.27 3.47 -0.04 3.99 -1.05 -1.26 -5.08 118.70 126.01 1wil s GLU 82 Ca 0.73 -0.60 -0.01 0.00 -0.15 0.00 0.00 54.97 54.95 1wil s GLU 82 Cb -0.09 -3.30 0.03 0.00 -0.44 0.00 0.00 34.13 30.33 1wil s GLU 82 CO 0.05 -0.26 0.03 -1.83 0.95 0.00 0.00 175.26 174.19 1wil s GLU 83 N 1.57 0.14 -0.17 -4.83 4.04 -1.26 -5.14 118.70 113.05 1wil s GLU 83 Ca 0.05 0.22 -0.30 0.00 0.04 0.00 0.00 54.97 54.98 1wil s GLU 83 Cb -0.16 -0.53 0.14 0.00 0.02 0.00 0.00 34.13 33.60 1wil s GLU 83 CO 0.02 -0.24 1.04 -1.54 -1.84 0.00 0.00 175.26 172.70 1wil s SER 84 N 1.62 -0.33 0.00 0.83 1.04 -1.26 -5.14 113.70 110.46 1wil s SER 84 Ca -0.02 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1wil s SER 84 Cb -0.13 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1wil s SER 84 CO -0.03 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1wil n GLY 85 N 0.70 0.00 3.77 7.32 0.00 -1.26 -5.15 105.19 110.57 1wil n GLY 85 Ca -0.09 0.51 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 4.34 -1.00 1.61 0.04 -1.26 -4.95 135.00 133.78 1wil s PRO 86 Ca 0.00 2.00 -0.22 0.00 0.04 0.00 0.00 61.00 62.82 1wil s PRO 86 Cb 0.00 -2.99 0.06 0.00 0.04 0.00 0.00 34.50 31.62 1wil s PRO 86 CO 0.00 -0.13 1.40 -1.12 0.04 0.00 0.00 177.00 177.19 1wil s SER 87 N -0.77 6.51 -0.09 6.66 0.01 -1.26 -4.92 113.70 119.84 1wil s SER 87 Ca 0.50 -1.52 -0.21 0.00 1.31 0.00 0.00 55.95 56.03 1wil s SER 87 Cb -0.35 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.38 1wil s SER 87 CO 0.46 -1.45 0.50 -0.94 0.41 0.00 0.00 173.24 172.22 1wil s SER 88 N 4.76 -0.46 0.00 2.44 1.04 -1.26 -5.27 113.70 114.94 1wil s SER 88 Ca 0.44 0.61 0.29 0.00 0.48 0.00 0.00 55.95 57.78 1wil s SER 88 Cb -0.01 0.64 1.33 0.00 0.10 0.00 0.00 66.02 68.08 1wil s SER 88 CO -0.09 -0.41 1.90 0.61 0.98 0.00 0.00 173.24 176.22