#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 -0.65 0.23 1.61 0.15 -1.26 -5.18 113.70 108.60 1wil s SER 2 Ca 0.00 1.07 -0.17 0.00 0.70 0.00 0.00 55.95 57.55 1wil s SER 2 Cb 0.00 1.24 0.01 0.00 -1.71 0.00 0.00 66.02 65.57 1wil s SER 2 CO 0.00 -0.17 0.56 -0.94 1.20 0.00 0.00 173.24 173.88 1wil s SER 3 N 1.28 -0.20 0.00 5.45 1.04 -1.26 -5.16 113.70 114.86 1wil s SER 3 Ca -0.08 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1wil s SER 3 Cb -0.04 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1wil s SER 3 CO -0.15 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1wil n GLY 4 N -0.38 0.57 3.92 7.32 0.00 -1.26 -4.97 105.19 110.39 1wil n GLY 4 Ca -0.06 -2.19 -0.19 0.00 0.00 0.00 0.00 46.02 43.58 1wil n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wil s SER 5 N -4.00 5.32 -0.48 1.61 0.15 -1.26 -5.00 113.70 110.04 1wil s SER 5 Ca 0.00 -0.59 -0.45 0.00 0.70 0.00 0.00 55.95 55.61 1wil s SER 5 Cb 0.00 -0.67 -0.19 0.00 -1.71 0.00 0.00 66.02 63.45 1wil s SER 5 CO 0.00 -0.65 1.83 -0.24 1.20 0.00 0.00 173.24 175.38 1wil n SER 6 N -1.64 1.15 -2.88 5.45 2.88 -1.26 -3.04 113.62 114.29 1wil n SER 6 Ca 0.04 0.97 -0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1wil n SER 6 Cb 0.60 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1wil n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wil n GLY 7 N 5.39 -2.89 0.00 0.46 0.00 -1.26 -4.79 105.19 102.10 1wil n GLY 7 Ca 0.40 0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.79 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 0.90 0.49 -3.54 1.61 -0.04 -1.17 -4.27 135.00 128.98 1wil n PRO 8 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1wil n PRO 8 Cb 0.17 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 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 3.32 -0.30 0.54 1.70 -1.26 -4.97 118.95 115.98 1wil s ARG 9 Ca 0.16 -2.88 -0.13 0.00 -0.47 0.00 0.00 55.73 52.41 1wil s ARG 9 Cb 0.07 -4.11 0.16 0.00 -0.57 0.00 0.00 34.95 30.50 1wil s ARG 9 CO 0.12 -1.24 0.89 -1.83 -1.08 0.00 0.00 175.30 172.16 1wil s GLU 10 N -0.65 0.38 -0.25 3.89 -1.05 -1.26 -5.13 118.70 114.63 1wil s GLU 10 Ca 0.23 0.93 -0.29 0.00 -0.15 0.00 0.00 54.97 55.69 1wil s GLU 10 Cb -0.12 0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 1wil s GLU 10 CO -0.08 -0.14 1.63 -1.25 0.95 0.00 0.00 175.26 176.36 1wil s PRO 11 N 2.60 3.72 0.13 -4.83 0.04 -1.26 -4.98 135.00 130.41 1wil s PRO 11 Ca -0.03 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 1wil s PRO 11 Cb -0.08 -4.06 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 1wil s PRO 11 CO -0.18 -1.39 1.05 0.14 0.04 0.00 0.00 177.00 176.66 1wil s VAL 12 N 5.44 4.20 -0.32 -0.36 -7.23 -1.26 -5.02 120.40 115.85 1wil s VAL 12 Ca 0.72 1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 62.56 1wil s VAL 12 Cb -0.24 -4.16 -0.02 0.00 0.56 0.00 0.00 36.38 32.52 1wil s VAL 12 CO 0.30 0.27 0.34 -0.69 -0.31 0.00 0.00 175.10 175.01 1wil s VAL 13 N 0.06 5.19 -0.22 1.32 1.01 -1.26 -5.03 120.40 121.47 1wil s VAL 13 Ca 0.49 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 1wil s VAL 13 Cb -0.26 -3.77 0.16 0.00 0.00 0.00 0.00 36.38 32.50 1wil s VAL 13 CO 0.32 -0.02 1.17 0.21 0.00 0.00 0.00 175.10 176.78 1wil s ASN 14 N 1.72 -0.22 -0.18 3.32 2.47 -1.26 -5.08 114.94 115.72 1wil s ASN 14 Ca 0.12 0.25 -0.21 0.00 0.42 0.00 0.00 52.86 53.44 1wil s ASN 14 Cb -0.16 0.20 -0.18 0.00 -1.45 0.00 0.00 41.25 39.66 1wil s ASN 14 CO 0.11 -0.19 0.29 0.44 -3.72 0.00 0.00 177.10 174.03 1wil h ASP 15 N 2.41 0.00 -2.11 -4.21 3.32 -2.03 -3.45 116.42 110.36 1wil h ASP 15 Ca -0.14 -0.53 -0.58 0.00 0.02 0.00 0.00 57.03 55.80 1wil h ASP 15 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1wil h ASP 15 CO 0.26 1.22 1.46 -1.61 -1.72 0.00 0.00 179.24 178.85 1wil s GLU 16 N -2.26 3.08 -0.20 3.56 2.02 -1.26 -4.93 118.70 118.71 1wil s GLU 16 Ca -0.23 1.82 -0.04 0.00 0.02 0.00 0.00 54.97 56.54 1wil s GLU 16 Cb 0.03 -4.35 0.08 0.00 0.10 0.00 0.00 34.13 29.99 1wil s GLU 16 CO 0.53 -2.17 0.18 -1.64 0.02 0.00 0.00 175.26 172.18 1wil s MET 17 N 6.38 0.15 0.23 1.61 -1.94 -1.26 -3.85 119.30 120.61 1wil s MET 17 Ca 0.95 0.08 -0.30 0.00 -1.71 0.00 0.00 55.69 54.70 1wil s MET 17 Cb -0.29 -1.41 -0.15 0.00 2.01 0.00 0.00 34.83 34.99 1wil s MET 17 CO 0.34 -0.68 1.06 0.00 -0.01 0.00 0.00 175.02 175.73 1wil n ASP 19 N 1.68 0.00 0.00 0.00 9.92 -1.17 0.21 116.55 127.18 1wil n ASP 19 Ca 0.13 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.55 1wil n ASP 19 Cb 0.28 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1wil n ASP 19 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1wil n VAL 20 N -0.86 0.00 0.00 2.53 0.31 -1.26 -4.84 118.33 114.21 1wil n VAL 20 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1wil n VAL 20 Cb 0.05 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 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 -1.42 -4.31 -4.07 0.00 1.02 0.55 -4.77 120.64 107.64 1wil n GLU 22 Ca 0.00 0.51 -0.10 0.00 -0.02 0.00 0.00 57.16 57.55 1wil n GLU 22 Cb 0.00 -5.06 -0.11 0.00 -0.02 0.00 0.00 31.44 26.26 1wil n GLU 22 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wil s VAL 23 N -3.59 0.38 0.52 2.62 1.01 -1.26 -4.55 120.40 115.53 1wil s VAL 23 Ca 0.31 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1wil s VAL 23 Cb -0.16 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1wil s VAL 23 CO 0.86 -0.69 0.08 -2.67 0.00 0.00 0.00 175.10 172.68 1wil n TRP 24 N 0.78 0.83 -3.66 5.22 4.27 -1.25 -3.25 117.44 120.38 1wil n TRP 24 Ca -0.18 -2.47 -0.14 0.00 -3.89 0.00 0.00 57.50 50.81 1wil n TRP 24 Cb 0.58 -0.36 -0.08 0.00 -1.36 0.00 0.00 31.31 30.09 1wil n TRP 24 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1wil s THR 25 N -2.82 0.01 0.42 -1.67 -4.23 -1.26 -5.03 115.64 101.06 1wil s THR 25 Ca 0.06 -0.05 0.18 0.00 -1.18 0.00 0.00 61.69 60.71 1wil s THR 25 Cb -0.00 -0.82 0.39 0.00 1.34 0.00 0.00 72.50 73.40 1wil s THR 25 CO 0.04 -0.03 1.85 0.00 -0.54 0.00 0.00 174.62 175.95 1wil h ALA 26 N 4.71 2.25 -2.16 3.99 0.00 -2.04 -3.42 119.26 122.58 1wil h ALA 26 Ca -0.28 0.02 -0.44 0.00 0.00 0.00 0.00 54.91 54.21 1wil h ALA 26 Cb 1.17 -0.02 0.17 0.00 0.00 0.00 0.00 17.79 19.11 1wil h ALA 26 CO 0.21 -0.54 0.25 -1.83 0.00 0.00 0.00 179.25 177.34 1wil s GLU 27 N -5.40 -0.07 0.08 0.00 -1.05 -1.26 -4.94 118.70 106.06 1wil s GLU 27 Ca -0.08 -0.03 -0.31 0.00 -0.15 0.00 0.00 54.97 54.40 1wil s GLU 27 Cb 0.23 -1.73 -0.09 0.00 -0.44 0.00 0.00 34.13 32.10 1wil s GLU 27 CO 0.78 -2.95 1.70 0.45 0.95 0.00 0.00 175.26 176.19 1wil s SER 28 N -4.15 6.56 -0.21 0.83 0.15 -1.26 -4.98 113.70 110.64 1wil s SER 28 Ca 0.70 2.55 -0.10 0.00 0.70 0.00 0.00 55.95 59.80 1wil s SER 28 Cb -0.10 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1wil s SER 28 CO 0.55 -0.92 0.13 -0.22 1.20 0.00 0.00 173.24 173.99 1wil s LEU 29 N 2.67 4.19 0.30 3.45 0.20 -1.26 -5.05 118.68 123.18 1wil s LEU 29 Ca 0.76 0.21 -0.06 0.00 0.69 0.00 0.00 54.13 55.72 1wil s LEU 29 Cb -0.41 -2.09 -0.06 0.00 -0.43 0.00 0.00 46.19 43.20 1wil s LEU 29 CO 0.33 0.16 0.59 -0.36 -0.29 0.00 0.00 176.35 176.78 1wil s PHE 30 N 0.49 3.47 -0.02 5.38 0.08 -1.26 -3.32 117.98 122.79 1wil s PHE 30 Ca 0.08 0.73 -0.25 0.00 0.12 0.00 0.00 56.93 57.61 1wil s PHE 30 Cb -0.11 -2.18 -0.19 0.00 -0.57 0.00 0.00 43.02 39.97 1wil s PHE 30 CO -0.01 0.14 1.21 -1.00 -0.10 0.00 0.00 175.22 175.46 1wil h PRO 31 N 1.72 -0.08 -1.85 0.24 0.13 -1.83 -2.53 132.00 127.80 1wil h PRO 31 Ca -0.47 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1wil h PRO 31 Cb 1.19 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1wil h PRO 31 CO 0.66 0.38 0.31 0.00 -0.23 0.00 0.00 178.00 179.13 1wil n ARG 33 N 0.91 2.32 -0.00 0.00 0.00 -1.26 -3.50 116.66 115.12 1wil n ARG 33 Ca -0.16 -1.20 0.04 0.00 -0.00 0.00 0.00 57.85 56.53 1wil n ARG 33 Cb 0.57 -1.73 -0.06 0.00 -0.00 0.00 0.00 32.46 31.24 1wil n ARG 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1wil n VAL 34 N 0.17 0.00 0.18 8.89 0.31 -1.26 -4.57 118.33 122.05 1wil n VAL 34 Ca 0.13 -0.17 -0.08 0.00 -0.01 0.00 0.00 64.34 64.21 1wil n VAL 34 Cb 0.68 0.35 0.06 0.00 -0.91 0.00 0.00 33.84 34.02 1wil n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wil n THR 36 N 0.03 0.00 -3.64 0.00 -1.04 -1.26 -4.82 114.28 103.55 1wil n THR 36 Ca 0.20 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.14 1wil n THR 36 Cb 0.85 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 69.05 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 -6.09 0.31 -0.03 -2.82 6.06 -1.26 -5.16 118.95 109.96 1wil s ARG 37 Ca 0.41 0.31 0.01 0.00 -2.50 0.00 0.00 55.73 53.96 1wil s ARG 37 Cb -0.24 0.15 0.02 0.00 0.06 0.00 0.00 34.95 34.94 1wil s ARG 37 CO 0.51 -0.05 -0.01 0.14 -2.50 0.00 0.00 175.30 173.38 1wil s VAL 38 N -0.04 0.28 -0.20 7.11 -7.23 -1.26 -4.44 120.40 114.61 1wil s VAL 38 Ca 0.05 0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.18 1wil s VAL 38 Cb -0.04 -0.34 0.10 0.00 0.56 0.00 0.00 36.38 36.65 1wil s VAL 38 CO -0.09 0.16 0.38 0.72 -0.31 0.00 0.00 175.10 175.95 1wil s PHE 39 N 0.88 -0.74 -0.45 2.82 -0.12 -0.95 -3.07 117.98 116.36 1wil s PHE 39 Ca -0.10 1.17 -0.38 0.00 -0.05 0.00 0.00 56.93 57.57 1wil s PHE 39 Cb -0.13 0.14 -0.15 0.00 -0.63 0.00 0.00 43.02 42.25 1wil s PHE 39 CO -0.01 -0.55 2.21 0.72 -0.05 0.00 0.00 175.22 177.55 1wil n HIS 40 N 5.37 1.37 -0.33 3.49 8.25 -1.24 -3.81 115.22 128.33 1wil n HIS 40 Ca -0.06 0.45 0.32 0.00 -0.26 0.00 0.00 57.72 58.17 1wil n HIS 40 Cb 0.50 -2.44 0.59 0.00 1.12 0.00 0.00 29.99 29.76 1wil n HIS 40 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1wil n ASP 41 N 9.28 0.34 -0.27 0.41 5.75 -1.26 0.13 116.55 130.93 1wil n ASP 41 Ca 0.48 1.65 -0.06 0.00 -0.01 0.00 0.00 54.79 56.84 1wil n ASP 41 Cb 0.13 -0.80 0.06 0.00 -1.03 0.00 0.00 41.12 39.48 1wil n ASP 41 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1wil h GLY 42 N 0.00 1.15 0.86 6.12 0.00 -1.98 -1.69 103.07 107.53 1wil h GLY 42 Ca 0.85 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 47.64 1wil h GLY 42 CO -0.75 0.54 0.30 0.00 0.00 0.00 0.00 176.54 176.62 1wil h LEU 44 N 0.59 -0.63 -2.33 0.00 3.38 -1.27 -2.58 115.31 112.47 1wil h LEU 44 Ca 0.21 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1wil h LEU 44 Cb 0.03 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wil h LEU 44 CO -0.10 -0.30 0.15 0.08 0.09 0.00 0.00 178.44 178.36 1wil h ARG 45 N -0.97 0.00 0.51 1.13 0.11 -1.22 -0.97 114.38 112.97 1wil h ARG 45 Ca -0.08 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.98 1wil h ARG 45 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1wil h ARG 45 CO 0.12 0.00 -0.24 -0.09 0.10 0.00 0.00 179.97 179.86 1wil h ARG 46 N 0.00 -0.66 -0.90 0.08 9.65 -0.45 -3.28 114.38 118.81 1wil h ARG 46 Ca 0.06 0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1wil h ARG 46 Cb 0.36 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 1wil h ARG 46 CO -0.00 -0.44 0.60 0.52 2.80 0.00 0.00 179.97 183.45 1wil h MET 47 N -1.00 1.19 0.00 0.20 2.86 -1.16 -3.47 114.93 113.55 1wil h MET 47 Ca -0.07 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1wil h MET 47 Cb 0.52 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1wil h MET 47 CO 0.11 0.79 0.00 0.41 1.06 0.00 0.00 176.91 179.28 1wil n GLY 48 N -1.35 0.67 0.15 8.32 0.00 -0.40 -5.06 105.19 107.52 1wil n GLY 48 Ca 0.10 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.09 1.61 4.01 -1.14 -4.65 117.16 114.90 1wil n TYR 49 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1wil n TYR 49 Cb 0.00 -0.83 -0.00 0.00 -0.31 0.00 0.00 39.34 38.20 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 -3.34 5.07 -3.61 -0.72 -5.35 -1.26 -4.87 119.36 105.28 1wil n ILE 50 Ca -0.40 -4.39 -0.04 0.00 -0.27 0.00 0.00 62.75 57.65 1wil n ILE 50 Cb 0.89 -2.13 -0.03 0.00 -1.74 0.00 0.00 39.64 36.63 1wil n ILE 50 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wil s GLN 51 N -0.89 0.25 0.00 6.28 1.03 -1.26 -4.92 119.66 120.15 1wil s GLN 51 Ca 0.50 -0.03 0.00 0.00 0.04 0.00 0.00 55.36 55.87 1wil s GLN 51 Cb 0.16 0.11 0.00 0.00 0.03 0.00 0.00 33.01 33.32 1wil s GLN 51 CO -0.07 -0.10 0.00 0.41 -2.54 0.00 0.00 175.29 172.99 1wil n GLY 52 N 0.21 -0.17 3.67 2.60 0.00 -1.26 -5.08 105.19 105.17 1wil n GLY 52 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1wil n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wil s ASP 53 N 0.00 -0.20 -0.31 1.61 -4.77 -1.26 -5.12 116.67 106.63 1wil s ASP 53 Ca 0.00 -0.25 -0.41 0.00 -3.30 0.00 0.00 52.55 48.59 1wil s ASP 53 Cb 0.00 0.39 -0.16 0.00 -1.09 0.00 0.00 42.92 42.06 1wil s ASP 53 CO 0.00 -0.71 1.75 -1.54 0.70 0.00 0.00 175.17 175.38 1wil n SER 54 N -0.41 2.25 -4.56 2.11 3.41 -1.26 -4.70 113.62 110.46 1wil n SER 54 Ca -0.07 1.06 -0.63 0.00 -0.26 0.00 0.00 58.87 58.97 1wil n SER 54 Cb 0.61 -1.11 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 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 5.43 -0.59 -3.57 7.33 0.00 -1.26 -4.88 120.51 122.97 1wil n ALA 55 Ca 0.28 0.36 -0.06 0.00 0.00 0.00 0.00 53.44 54.01 1wil n ALA 55 Cb 0.11 -2.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 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 4.28 -1.86 -1.05 0.00 0.00 -1.26 -4.96 121.76 116.91 1wil s ALA 56 Ca 1.10 0.94 -0.10 0.00 0.00 0.00 0.00 51.96 53.89 1wil s ALA 56 Cb -1.43 0.37 0.10 0.00 0.00 0.00 0.00 23.12 22.16 1wil s ALA 56 CO 0.73 -0.76 0.25 0.39 0.00 0.00 0.00 175.76 176.38 1wil n GLU 57 N -0.27 -0.87 -2.82 0.00 4.71 -1.26 -4.80 120.64 115.33 1wil n GLU 57 Ca -0.07 0.07 -0.42 0.00 -0.01 0.00 0.00 57.16 56.74 1wil n GLU 57 Cb 0.61 -2.57 -0.03 0.00 -1.01 0.00 0.00 31.44 28.43 1wil n GLU 57 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1wil s VAL 58 N -2.76 4.84 0.27 2.62 -7.23 -1.26 -5.04 120.40 111.84 1wil s VAL 58 Ca 0.35 1.77 -0.13 0.00 -1.81 0.00 0.00 61.98 62.15 1wil s VAL 58 Cb -0.20 -4.19 -0.08 0.00 0.56 0.00 0.00 36.38 32.46 1wil s VAL 58 CO 0.60 -0.00 0.66 0.28 -0.31 0.00 0.00 175.10 176.32 1wil s THR 59 N 2.25 4.77 0.00 5.32 -1.32 -1.26 -4.98 115.64 120.42 1wil s THR 59 Ca 0.41 0.80 0.00 0.00 -1.21 0.00 0.00 61.69 61.69 1wil s THR 59 Cb -0.17 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.18 1wil s THR 59 CO 0.13 -0.08 0.00 -0.62 -2.21 0.00 0.00 174.62 171.83 1wil n GLU 60 N -0.12 1.15 -3.94 7.08 1.02 -1.26 -4.99 120.64 119.58 1wil n GLU 60 Ca 0.01 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 1wil n GLU 60 Cb 0.53 -0.73 -0.15 0.00 -0.02 0.00 0.00 31.44 31.06 1wil n GLU 60 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wil s MET 61 N -1.47 1.33 -0.03 3.49 -1.94 -1.26 -4.99 119.30 114.43 1wil s MET 61 Ca 0.00 -1.75 -0.20 0.00 -1.71 0.00 0.00 55.69 52.03 1wil s MET 61 Cb 0.00 -2.90 -0.14 0.00 2.01 0.00 0.00 34.83 33.80 1wil s MET 61 CO 0.00 -0.97 0.88 0.00 -0.01 0.00 0.00 175.02 174.92 1wil h ALA 62 N 7.61 -0.37 -0.43 3.03 0.00 -1.98 -3.41 119.26 123.72 1wil h ALA 62 Ca -0.06 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1wil h ALA 62 Cb 1.01 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1wil h ALA 62 CO 0.52 -0.42 0.40 1.58 0.00 0.00 0.00 179.25 181.33 1wil n HIS 63 N -5.03 1.06 -4.10 0.00 -0.00 -1.26 -4.27 115.22 101.62 1wil n HIS 63 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.50 1wil n HIS 63 Cb 0.25 -2.40 -0.05 0.00 -0.00 0.00 0.00 29.99 27.79 1wil n HIS 63 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1wil s THR 64 N 13.01 0.00 0.09 3.57 -4.23 -1.26 -4.99 115.64 121.83 1wil s THR 64 Ca 0.98 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 59.57 1wil s THR 64 Cb -0.23 -2.54 -0.15 0.00 1.34 0.00 0.00 72.50 70.92 1wil s THR 64 CO 0.16 0.00 1.68 -0.08 -0.54 0.00 0.00 174.62 175.83 1wil h GLU 65 N 2.20 -0.43 0.00 3.99 4.81 -1.97 -3.00 114.58 120.18 1wil h GLU 65 Ca -0.29 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1wil h GLU 65 Cb 1.24 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1wil h GLU 65 CO 0.40 -0.29 -0.70 0.00 -0.73 0.00 0.00 179.01 177.69 1wil h THR 66 N -0.44 0.00 -0.54 0.32 1.03 -1.97 -3.50 112.91 107.81 1wil h THR 66 Ca -0.03 -0.76 0.00 0.00 -0.01 0.00 0.00 66.41 65.61 1wil h THR 66 Cb 0.36 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 1wil h THR 66 CO 0.04 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.16 1wil n GLY 67 N 1.24 0.32 3.08 2.99 0.00 -1.14 -4.79 105.19 106.90 1wil n GLY 67 Ca 0.02 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 1wil n GLY 67 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1wil s TRP 68 N 0.00 1.23 0.30 1.61 -0.11 -1.26 -4.96 118.94 115.74 1wil s TRP 68 Ca 0.00 -0.27 -0.26 0.00 1.22 0.00 0.00 56.10 56.79 1wil s TRP 68 Cb 0.00 -0.81 -0.10 0.00 -1.50 0.00 0.00 33.47 31.06 1wil s TRP 68 CO 0.00 -0.06 0.92 -1.12 -4.62 0.00 0.00 176.95 172.07 1wil s SER 69 N -0.15 7.38 0.44 5.86 0.01 -1.26 -5.03 113.70 120.95 1wil s SER 69 Ca 0.02 1.82 -0.23 0.00 1.31 0.00 0.00 55.95 58.87 1wil s SER 69 Cb -0.07 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 1wil s SER 69 CO 0.00 -0.01 1.13 0.00 0.41 0.00 0.00 173.24 174.77 1wil h HIS 71 N 2.19 0.49 -1.00 0.00 3.86 -2.05 0.12 115.15 118.77 1wil h HIS 71 Ca -0.49 0.02 -0.48 0.00 -1.16 0.00 0.00 60.37 58.26 1wil h HIS 71 Cb 1.24 -0.13 -0.42 0.00 1.06 0.00 0.00 27.41 29.16 1wil h HIS 71 CO 0.55 -0.13 -0.90 2.48 0.86 0.00 0.00 177.93 180.78 1wil n TYR 72 N -4.61 2.48 -3.13 2.45 4.11 -1.26 -5.06 117.16 112.13 1wil n TYR 72 Ca 0.35 -2.60 -0.39 0.00 -0.00 0.00 0.00 57.90 55.25 1wil n TYR 72 Cb 1.35 -0.24 -0.05 0.00 -0.00 0.00 0.00 39.34 40.39 1wil n TYR 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1wil s ASP 74 N 0.43 6.43 0.13 0.00 1.01 -1.26 -4.87 116.67 118.54 1wil s ASP 74 Ca 0.34 0.42 -0.24 0.00 0.71 0.00 0.00 52.55 53.78 1wil s ASP 74 Cb -0.18 -2.29 0.08 0.00 1.01 0.00 0.00 42.92 41.55 1wil s ASP 74 CO 0.17 -0.35 1.10 0.54 0.21 0.00 0.00 175.17 176.83 1wil s ASN 75 N 1.60 -0.00 0.79 0.27 4.22 -1.26 -5.13 114.94 115.43 1wil s ASN 75 Ca 0.22 -0.55 -0.04 0.00 -2.14 0.00 0.00 52.86 50.35 1wil s ASN 75 Cb -0.15 0.41 0.15 0.00 1.28 0.00 0.00 41.25 42.94 1wil s ASN 75 CO 0.10 -0.82 1.08 0.27 -2.04 0.00 0.00 177.10 175.69 1wil s ILE 76 N -2.17 2.05 -0.30 0.54 -4.36 -1.26 -5.07 121.20 110.63 1wil s ILE 76 Ca 0.23 -0.48 -0.09 0.00 -0.26 0.00 0.00 60.65 60.05 1wil s ILE 76 Cb -0.02 -2.57 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 1wil s ILE 76 CO 0.04 0.00 0.14 0.20 0.24 0.00 0.00 174.94 175.56 1wil s ASN 77 N -4.81 5.49 -0.09 4.36 0.01 -1.26 -4.96 114.94 113.67 1wil s ASN 77 Ca 0.69 -0.52 -0.13 0.00 -0.71 0.00 0.00 52.86 52.19 1wil s ASN 77 Cb -0.04 -1.99 -0.28 0.00 0.41 0.00 0.00 41.25 39.35 1wil s ASN 77 CO 0.47 -0.18 0.54 0.25 -1.51 0.00 0.00 177.10 176.66 1wil h LEU 78 N 8.33 0.44 -9.43 0.60 5.85 -2.06 -3.48 115.31 115.56 1wil h LEU 78 Ca -0.32 -0.88 -0.55 0.00 0.84 0.00 0.00 57.88 56.96 1wil h LEU 78 Cb 1.15 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.90 1wil h LEU 78 CO 0.61 1.71 -0.61 -1.48 -0.34 0.00 0.00 178.44 178.33 1wil s LEU 79 N -7.40 2.54 -0.10 2.25 0.05 -1.26 -5.15 118.68 109.61 1wil s LEU 79 Ca -0.20 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 52.62 1wil s LEU 79 Cb 0.05 -0.66 0.02 0.00 -2.05 0.00 0.00 46.19 43.56 1wil s LEU 79 CO 0.78 -0.51 -0.09 -0.22 -0.55 0.00 0.00 176.35 175.77 1wil s LEU 80 N -3.59 1.30 -0.26 1.48 1.98 -1.26 -5.12 118.68 113.20 1wil s LEU 80 Ca 0.35 -0.31 -0.16 0.00 -2.89 0.00 0.00 54.13 51.13 1wil s LEU 80 Cb 0.09 -0.84 0.08 0.00 0.66 0.00 0.00 46.19 46.17 1wil s LEU 80 CO 0.17 -0.08 0.65 0.28 -1.89 0.00 0.00 176.35 175.47 1wil s THR 81 N 1.47 -0.00 -0.33 3.68 -1.32 -1.26 -5.13 115.64 112.75 1wil s THR 81 Ca 0.01 0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1wil s THR 81 Cb -0.13 -0.95 0.11 0.00 -1.51 0.00 0.00 72.50 70.02 1wil s THR 81 CO -0.06 0.00 0.14 -0.70 -2.21 0.00 0.00 174.62 171.80 1wil s GLU 82 N 1.52 0.68 -0.71 7.08 2.56 -1.26 -5.04 118.70 123.53 1wil s GLU 82 Ca -0.09 -1.15 0.04 0.00 0.00 0.00 0.00 54.97 53.77 1wil s GLU 82 Cb -0.05 -1.80 0.25 0.00 2.00 0.00 0.00 34.13 34.53 1wil s GLU 82 CO -0.18 -1.05 0.83 -0.85 -0.56 0.00 0.00 175.26 173.46 1wil n GLU 83 N 4.62 2.76 -3.02 4.30 0.28 -1.26 -5.00 120.64 123.33 1wil n GLU 83 Ca 0.01 -4.64 -0.44 0.00 -0.16 0.00 0.00 57.16 51.92 1wil n GLU 83 Cb 0.40 -2.30 -0.02 0.00 1.43 0.00 0.00 31.44 30.95 1wil n GLU 83 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1wil s SER 84 N -2.25 6.79 0.00 -1.84 0.01 -1.26 -4.58 113.70 110.56 1wil s SER 84 Ca 0.37 -2.44 0.00 0.00 1.31 0.00 0.00 55.95 55.19 1wil s SER 84 Cb 0.12 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1wil s SER 84 CO -0.01 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1wil n GLY 85 N 4.79 -1.78 3.76 3.44 0.00 -1.26 -5.15 105.19 108.99 1wil n GLY 85 Ca 0.25 0.67 -0.41 0.00 0.00 0.00 0.00 46.02 46.53 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 4.46 -0.15 1.61 0.04 -1.26 -5.04 135.00 134.66 1wil s PRO 86 Ca 0.00 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 1wil s PRO 86 Cb 0.00 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.47 1wil s PRO 86 CO 0.00 -0.07 0.63 0.45 0.04 0.00 0.00 177.00 178.05 1wil s SER 87 N -0.47 -0.62 -0.28 6.66 0.15 -1.26 -5.17 113.70 112.71 1wil s SER 87 Ca 0.49 0.96 -0.18 0.00 0.70 0.00 0.00 55.95 57.92 1wil s SER 87 Cb -0.37 0.92 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 1wil s SER 87 CO 0.46 -0.40 0.81 -0.44 1.20 0.00 0.00 173.24 174.88 1wil s SER 88 N -0.41 -0.75 0.00 5.45 0.01 -1.26 -5.25 113.70 111.49 1wil s SER 88 Ca -0.06 1.24 0.12 0.00 1.31 0.00 0.00 55.95 58.56 1wil s SER 88 Cb -0.03 1.30 0.09 0.00 0.21 0.00 0.00 66.02 67.59 1wil s SER 88 CO 0.05 -0.20 0.88 0.61 0.41 0.00 0.00 173.24 174.98