#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 5.98 0.63 1.61 0.15 -1.26 -5.08 113.70 115.73 1wil s SER 2 Ca 0.00 0.31 -0.18 0.00 0.70 0.00 0.00 55.95 56.78 1wil s SER 2 Cb 0.00 -1.83 -0.02 0.00 -1.71 0.00 0.00 66.02 62.46 1wil s SER 2 CO 0.00 0.35 1.26 -0.55 1.20 0.00 0.00 173.24 175.50 1wil s SER 3 N -1.30 4.77 0.00 5.45 0.15 -1.26 -4.80 113.70 116.71 1wil s SER 3 Ca 0.18 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.37 1wil s SER 3 Cb -0.12 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1wil s SER 3 CO 0.08 -1.89 0.00 0.61 1.20 0.00 0.00 173.24 173.24 1wil n GLY 4 N 0.75 -1.35 3.93 9.45 0.00 -1.26 -5.17 105.19 111.54 1wil n GLY 4 Ca 0.15 0.58 0.01 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.00 -0.59 1.61 0.15 -1.26 -5.09 113.70 104.51 1wil s SER 5 Ca 0.00 -0.33 -0.24 0.00 0.70 0.00 0.00 55.95 56.08 1wil s SER 5 Cb 0.00 0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.60 1wil s SER 5 CO 0.00 -0.49 0.98 -0.94 1.20 0.00 0.00 173.24 173.99 1wil s SER 6 N -3.62 6.28 -0.36 5.45 1.04 -1.26 -4.25 113.70 116.99 1wil s SER 6 Ca 0.26 -0.51 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 1wil s SER 6 Cb -0.01 -2.44 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 1wil s SER 6 CO 0.01 -1.34 0.33 0.61 0.98 0.00 0.00 173.24 173.83 1wil n GLY 7 N 5.19 -0.38 0.00 7.32 0.00 -1.26 -4.89 105.19 111.17 1wil n GLY 7 Ca 0.01 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.69 0.49 -0.90 1.61 -0.04 -1.26 -2.52 135.00 130.68 1wil n PRO 8 Ca -0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1wil n PRO 8 Cb 0.52 -1.36 0.29 0.00 -0.04 0.00 0.00 33.50 32.91 1wil n PRO 8 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wil n ARG 9 N -0.86 3.44 -3.77 0.54 0.00 -1.26 -4.87 116.66 109.88 1wil n ARG 9 Ca 0.09 -3.07 -0.26 0.00 -0.00 0.00 0.00 57.85 54.61 1wil n ARG 9 Cb 0.04 -2.12 -0.17 0.00 -0.00 0.00 0.00 32.46 30.21 1wil n ARG 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1wil s GLU 10 N -2.99 0.75 0.31 2.89 2.02 -1.05 -5.13 118.70 115.50 1wil s GLU 10 Ca 0.52 -0.25 -0.29 0.00 0.02 0.00 0.00 54.97 54.98 1wil s GLU 10 Cb 0.42 -1.70 -0.10 0.00 0.10 0.00 0.00 34.13 32.86 1wil s GLU 10 CO 0.11 -0.49 1.22 -1.25 0.02 0.00 0.00 175.26 174.88 1wil s PRO 11 N 1.87 4.46 -0.59 0.39 0.04 -1.26 -5.01 135.00 134.89 1wil s PRO 11 Ca 0.01 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.15 1wil s PRO 11 Cb -0.15 -3.11 0.16 0.00 0.04 0.00 0.00 34.50 31.44 1wil s PRO 11 CO -0.07 -0.03 0.40 0.14 0.04 0.00 0.00 177.00 177.47 1wil s VAL 12 N -1.15 2.26 0.16 -0.36 -7.23 -1.26 -5.10 120.40 107.72 1wil s VAL 12 Ca 0.47 -3.65 -0.24 0.00 -1.81 0.00 0.00 61.98 56.76 1wil s VAL 12 Cb -0.37 -2.51 -0.14 0.00 0.56 0.00 0.00 36.38 33.92 1wil s VAL 12 CO 0.48 -0.99 0.45 0.55 -0.31 0.00 0.00 175.10 175.28 1wil n VAL 13 N 2.50 1.58 -3.76 1.32 3.14 -1.26 -4.90 118.33 116.95 1wil n VAL 13 Ca 0.17 -0.40 -0.36 0.00 -2.96 0.00 0.00 64.34 60.80 1wil n VAL 13 Cb 0.36 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.04 1wil n VAL 13 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1wil s ASN 14 N -0.79 5.18 -0.24 6.55 -0.87 -1.26 -4.90 114.94 118.62 1wil s ASN 14 Ca 0.54 -2.52 -0.11 0.00 -1.57 0.00 0.00 52.86 49.20 1wil s ASN 14 Cb -0.78 -1.83 -0.17 0.00 -0.02 0.00 0.00 41.25 38.45 1wil s ASN 14 CO 0.46 -0.43 -0.10 -0.90 -2.57 0.00 0.00 177.10 173.57 1wil n ASP 15 N 3.92 1.97 -3.71 -1.22 5.75 -1.26 -4.92 116.55 117.07 1wil n ASP 15 Ca 0.04 0.23 -0.25 0.00 -0.01 0.00 0.00 54.79 54.79 1wil n ASP 15 Cb 0.39 -0.76 -0.17 0.00 -1.03 0.00 0.00 41.12 39.55 1wil n ASP 15 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1wil s GLU 16 N -2.49 0.46 -0.10 0.11 8.01 -1.26 -4.95 118.70 118.48 1wil s GLU 16 Ca -0.33 -0.15 -0.01 0.00 0.01 0.00 0.00 54.97 54.49 1wil s GLU 16 Cb 0.10 -1.63 0.03 0.00 -4.31 0.00 0.00 34.13 28.32 1wil s GLU 16 CO 0.58 -0.53 -0.03 -1.64 0.01 0.00 0.00 175.26 173.64 1wil s MET 17 N 1.97 1.07 0.42 1.61 -1.94 -1.26 -3.58 119.30 117.59 1wil s MET 17 Ca 0.02 -0.13 -0.24 0.00 -1.71 0.00 0.00 55.69 53.63 1wil s MET 17 Cb -0.15 -1.39 -0.11 0.00 2.01 0.00 0.00 34.83 35.19 1wil s MET 17 CO -0.07 -0.32 0.92 0.00 -0.01 0.00 0.00 175.02 175.54 1wil n ASP 19 N 0.64 0.00 0.00 0.00 8.00 -0.93 0.15 116.55 124.40 1wil n ASP 19 Ca 0.10 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1wil n ASP 19 Cb 0.39 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1wil n ASP 19 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wil n VAL 20 N -1.23 0.00 -0.02 2.53 0.31 -1.26 -4.79 118.33 113.87 1wil n VAL 20 Ca 0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.46 1wil n VAL 20 Cb 0.19 -0.45 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 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 -2.00 -4.28 -3.73 0.00 -0.58 0.39 -4.82 120.64 105.63 1wil n GLU 22 Ca -0.05 0.52 -0.12 0.00 -0.42 0.00 0.00 57.16 57.09 1wil n GLU 22 Cb 0.47 -4.96 -0.11 0.00 -0.57 0.00 0.00 31.44 26.28 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 -3.73 -0.01 0.39 2.62 -7.23 -1.26 -4.69 120.40 106.48 1wil s VAL 23 Ca 0.10 0.05 0.07 0.00 -1.81 0.00 0.00 61.98 60.38 1wil s VAL 23 Cb -0.05 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.35 1wil s VAL 23 CO 0.85 0.02 0.53 -1.66 -0.31 0.00 0.00 175.10 174.53 1wil s TRP 24 N 0.72 2.96 0.02 2.82 1.48 -1.23 -4.08 118.94 121.62 1wil s TRP 24 Ca -0.04 -0.29 0.00 0.00 -1.06 0.00 0.00 56.10 54.71 1wil s TRP 24 Cb -0.05 -2.21 -0.02 0.00 -1.16 0.00 0.00 33.47 30.03 1wil s TRP 24 CO -0.05 -0.24 -0.03 0.95 -4.06 0.00 0.00 176.95 173.52 1wil s THR 25 N -2.28 0.14 0.35 0.66 -4.23 -1.26 -5.03 115.64 103.97 1wil s THR 25 Ca 0.50 -0.77 0.13 0.00 -1.18 0.00 0.00 61.69 60.37 1wil s THR 25 Cb -0.10 -0.26 0.34 0.00 1.34 0.00 0.00 72.50 73.83 1wil s THR 25 CO 0.32 -0.40 1.73 0.00 -0.54 0.00 0.00 174.62 175.73 1wil h ALA 26 N 4.89 1.96 -1.92 3.99 0.00 -2.03 -3.41 119.26 122.74 1wil h ALA 26 Ca -0.31 0.12 -0.42 0.00 0.00 0.00 0.00 54.91 54.30 1wil h ALA 26 Cb 1.21 0.04 0.19 0.00 0.00 0.00 0.00 17.79 19.23 1wil h ALA 26 CO 0.43 -0.44 0.23 -1.21 0.00 0.00 0.00 179.25 178.26 1wil s GLU 27 N -5.67 -0.90 0.03 0.00 0.41 -1.26 -4.99 118.70 106.32 1wil s GLU 27 Ca -0.10 -0.32 -0.30 0.00 -0.41 0.00 0.00 54.97 53.84 1wil s GLU 27 Cb 0.27 -1.66 -0.04 0.00 -1.78 0.00 0.00 34.13 30.92 1wil s GLU 27 CO 0.80 -3.45 1.05 0.45 -0.49 0.00 0.00 175.26 173.61 1wil s SER 28 N -4.35 7.29 0.58 -0.19 0.15 -1.26 -5.04 113.70 110.88 1wil s SER 28 Ca 0.74 1.79 -0.08 0.00 0.70 0.00 0.00 55.95 59.09 1wil s SER 28 Cb -0.06 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1wil s SER 28 CO 0.55 -0.30 0.93 -0.22 1.20 0.00 0.00 173.24 175.40 1wil s LEU 29 N 0.89 3.34 0.19 3.45 2.96 -1.26 -5.06 118.68 123.19 1wil s LEU 29 Ca 0.53 1.11 0.11 0.00 -0.22 0.00 0.00 54.13 55.66 1wil s LEU 29 Cb -0.24 -4.06 -0.04 0.00 0.50 0.00 0.00 46.19 42.35 1wil s LEU 29 CO 0.29 -0.85 -0.23 -0.36 -1.32 0.00 0.00 176.35 173.88 1wil s PHE 30 N -3.02 2.34 0.17 5.38 0.40 -1.26 -3.73 117.98 118.27 1wil s PHE 30 Ca 0.52 -0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 56.43 1wil s PHE 30 Cb -0.11 -1.17 0.05 0.00 0.51 0.00 0.00 43.02 42.30 1wil s PHE 30 CO 0.49 0.49 1.51 -1.00 0.70 0.00 0.00 175.22 177.41 1wil h PRO 31 N 3.24 0.80 -2.20 0.24 0.13 -1.89 -2.98 132.00 129.34 1wil h PRO 31 Ca -0.47 -0.42 -0.06 0.00 -0.87 0.00 0.00 66.00 64.18 1wil h PRO 31 Cb 1.20 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 1wil h PRO 31 CO 0.48 1.06 0.04 0.00 -0.23 0.00 0.00 178.00 179.34 1wil h ARG 33 N 5.07 0.06 -0.84 0.00 -0.00 -1.92 -3.30 114.38 113.45 1wil h ARG 33 Ca -0.28 -0.08 0.34 0.00 -0.00 0.00 0.00 59.98 59.95 1wil h ARG 33 Cb 1.17 0.03 -0.14 0.00 -0.00 0.00 0.00 29.97 31.03 1wil h ARG 33 CO 0.11 0.94 0.47 1.33 -0.00 0.00 0.00 179.97 182.82 1wil n VAL 34 N -3.51 -0.31 -3.00 0.08 0.24 -1.26 -3.93 118.33 106.64 1wil n VAL 34 Ca -0.02 1.56 -0.41 0.00 -2.04 0.00 0.00 64.34 63.43 1wil n VAL 34 Cb 0.86 -2.53 -0.05 0.00 -1.47 0.00 0.00 33.84 30.65 1wil n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wil n THR 36 N 4.82 -0.40 -2.30 0.00 -1.04 -1.25 -4.01 114.28 110.09 1wil n THR 36 Ca 0.02 1.74 -0.43 0.00 -2.04 0.00 0.00 64.05 63.34 1wil n THR 36 Cb 0.49 -2.17 -0.02 0.00 -1.82 0.00 0.00 70.33 66.80 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 -4.79 4.22 0.02 -2.82 3.52 -1.26 -4.73 118.95 113.10 1wil s ARG 37 Ca -0.07 1.81 0.03 0.00 -0.13 0.00 0.00 55.73 57.37 1wil s ARG 37 Cb 0.07 -3.83 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 1wil s ARG 37 CO 0.37 -0.75 -0.05 0.14 -0.81 0.00 0.00 175.30 174.20 1wil s VAL 38 N 3.66 3.75 -0.23 7.11 -7.23 -1.26 -5.01 120.40 121.19 1wil s VAL 38 Ca 0.60 -0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 59.94 1wil s VAL 38 Cb -0.25 -2.66 0.12 0.00 0.56 0.00 0.00 36.38 34.15 1wil s VAL 38 CO 0.19 0.35 0.36 0.72 -0.31 0.00 0.00 175.10 176.41 1wil s PHE 39 N -1.05 -0.76 0.26 2.82 -0.12 -1.24 -2.20 117.98 115.70 1wil s PHE 39 Ca 0.18 0.85 -0.29 0.00 -0.05 0.00 0.00 56.93 57.62 1wil s PHE 39 Cb -0.11 0.01 -0.14 0.00 -0.63 0.00 0.00 43.02 42.14 1wil s PHE 39 CO 0.09 -0.67 1.10 0.72 -0.05 0.00 0.00 175.22 176.41 1wil n HIS 40 N 5.36 1.44 -0.04 3.49 8.25 -1.13 -3.21 115.22 129.38 1wil n HIS 40 Ca -0.04 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 58.08 1wil n HIS 40 Cb 0.50 -2.29 0.29 0.00 1.12 0.00 0.00 29.99 29.61 1wil n HIS 40 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1wil h ASP 41 N 2.54 0.57 0.17 0.41 5.19 -2.00 -2.54 116.42 120.76 1wil h ASP 41 Ca -0.41 -0.08 -0.15 0.00 -0.62 0.00 0.00 57.03 55.77 1wil h ASP 41 Cb 1.33 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 1wil h ASP 41 CO 0.64 0.57 -0.54 1.23 -3.12 0.00 0.00 179.24 178.02 1wil h GLY 42 N 0.83 0.44 0.79 2.75 0.00 -1.95 -2.94 103.07 102.98 1wil h GLY 42 Ca 0.14 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1wil h GLY 42 CO -0.00 0.45 -0.01 0.00 0.00 0.00 0.00 176.54 176.98 1wil h LEU 44 N -0.23 -1.11 -1.48 0.00 3.38 -1.52 0.17 115.31 114.51 1wil h LEU 44 Ca -0.00 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.25 1wil h LEU 44 Cb 0.22 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1wil h LEU 44 CO 0.00 -0.54 0.57 0.08 0.09 0.00 0.00 178.44 178.65 1wil h ARG 45 N -0.80 0.44 0.00 1.13 0.11 -1.54 0.33 114.38 114.05 1wil h ARG 45 Ca -0.03 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1wil h ARG 45 Cb 0.73 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1wil h ARG 45 CO -0.09 0.29 0.00 -2.13 0.10 0.00 0.00 179.97 178.14 1wil n ARG 46 N -4.52 0.00 -0.34 0.08 0.00 -0.69 -3.79 116.66 107.41 1wil n ARG 46 Ca 0.18 0.46 0.21 0.00 -0.00 0.00 0.00 57.85 58.70 1wil n ARG 46 Cb 0.63 -1.17 0.45 0.00 0.00 0.00 0.00 32.46 32.37 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 0.45 0.00 -0.14 2.86 -0.58 -3.46 114.93 114.06 1wil h MET 47 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1wil h MET 47 Cb 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1wil h MET 47 CO 0.00 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.68 1wil n GLY 48 N -1.37 0.79 0.76 8.32 0.00 0.11 -5.08 105.19 108.71 1wil n GLY 48 Ca 0.28 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.06 1.61 4.01 -0.81 -4.84 117.16 117.08 1wil n TYR 49 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1wil n TYR 49 Cb 0.00 0.04 -0.15 0.00 -0.31 0.00 0.00 39.34 38.92 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 -2.75 1.51 -3.85 -0.72 -5.35 -1.26 -4.84 119.36 102.09 1wil n ILE 50 Ca 0.00 -0.82 -0.36 0.00 -0.27 0.00 0.00 62.75 61.30 1wil n ILE 50 Cb 0.44 -0.79 -0.13 0.00 -1.74 0.00 0.00 39.64 37.41 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 -2.54 3.09 0.00 6.28 0.74 -1.26 -4.77 119.66 121.19 1wil s GLN 51 Ca -0.08 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 54.49 1wil s GLN 51 Cb 0.07 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 31.00 1wil s GLN 51 CO 0.82 -0.37 0.00 0.41 -0.55 0.00 0.00 175.29 175.60 1wil n GLY 52 N 4.79 -2.03 0.09 2.59 0.00 -1.26 -4.65 105.19 104.73 1wil n GLY 52 Ca -0.16 0.67 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 1wil n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wil h ASP 53 N 0.00 -0.09 -3.55 1.61 3.32 -1.93 -3.42 116.42 112.35 1wil h ASP 53 Ca 0.00 -0.49 -0.67 0.00 0.02 0.00 0.00 57.03 55.89 1wil h ASP 53 Cb 0.00 0.02 -0.30 0.00 0.22 0.00 0.00 39.33 39.27 1wil h ASP 53 CO 0.00 0.49 -0.70 -0.44 -1.72 0.00 0.00 179.24 176.87 1wil s SER 54 N -5.65 4.61 -0.23 6.45 0.01 -1.26 -5.07 113.70 112.56 1wil s SER 54 Ca -0.15 -0.83 -0.29 0.00 1.31 0.00 0.00 55.95 56.00 1wil s SER 54 Cb 0.01 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.48 1wil s SER 54 CO 0.59 -0.15 1.53 0.00 0.41 0.00 0.00 173.24 175.62 1wil s ALA 55 N 1.38 3.32 -0.32 1.44 0.00 -1.26 -4.77 121.76 121.55 1wil s ALA 55 Ca 0.01 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 1wil s ALA 55 Cb -0.17 -3.82 0.04 0.00 0.00 0.00 0.00 23.12 19.17 1wil s ALA 55 CO -0.02 -1.86 0.08 0.00 0.00 0.00 0.00 175.76 173.97 1wil s ALA 56 N 4.90 3.01 -0.58 0.00 0.00 -1.26 -5.06 121.76 122.77 1wil s ALA 56 Ca 0.67 -1.69 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1wil s ALA 56 Cb -0.23 -2.19 0.15 0.00 0.00 0.00 0.00 23.12 20.84 1wil s ALA 56 CO 0.27 -1.25 0.52 -1.21 0.00 0.00 0.00 175.76 174.10 1wil s GLU 57 N 1.40 3.02 -0.02 0.00 2.02 -1.26 -5.04 118.70 118.82 1wil s GLU 57 Ca -0.01 -1.87 0.03 0.00 0.02 0.00 0.00 54.97 53.13 1wil s GLU 57 Cb -0.19 -4.26 -0.00 0.00 0.10 0.00 0.00 34.13 29.78 1wil s GLU 57 CO 0.02 -1.30 -0.10 0.14 0.02 0.00 0.00 175.26 174.04 1wil s VAL 58 N 1.27 0.80 0.72 2.63 -7.23 -1.26 -5.13 120.40 112.20 1wil s VAL 58 Ca 0.06 -0.39 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 1wil s VAL 58 Cb -0.26 -0.69 -0.14 0.00 0.56 0.00 0.00 36.38 35.85 1wil s VAL 58 CO 0.00 0.24 -0.36 0.41 -0.31 0.00 0.00 175.10 175.08 1wil n THR 59 N 3.11 0.09 -1.95 5.32 -1.04 -1.26 -4.65 114.28 113.90 1wil n THR 59 Ca -0.16 -0.49 -0.24 0.00 -2.04 0.00 0.00 64.05 61.11 1wil n THR 59 Cb 0.55 -0.04 -0.06 0.00 -1.82 0.00 0.00 70.33 68.96 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 -1.50 2.29 -0.29 -2.82 2.02 -1.26 -4.80 118.70 112.34 1wil s GLU 60 Ca 0.51 -0.38 -0.20 0.00 0.02 0.00 0.00 54.97 54.92 1wil s GLU 60 Cb -0.36 -5.05 0.16 0.00 0.10 0.00 0.00 34.13 28.98 1wil s GLU 60 CO 0.72 -3.84 1.15 0.00 0.02 0.00 0.00 175.26 173.31 1wil s MET 61 N 7.29 0.27 0.00 1.61 0.23 -1.26 -5.07 119.30 122.37 1wil s MET 61 Ca 0.74 0.40 0.00 0.00 -1.03 0.00 0.00 55.69 55.80 1wil s MET 61 Cb -0.06 0.09 0.00 0.00 -1.53 0.00 0.00 34.83 33.33 1wil s MET 61 CO 0.05 -0.05 0.00 0.00 -2.03 0.00 0.00 175.02 173.00 1wil n ALA 62 N 2.77 2.42 -0.07 3.16 0.00 -1.26 -4.24 120.51 123.30 1wil n ALA 62 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 1wil n ALA 62 Cb 0.57 0.18 -0.05 0.00 0.00 0.00 0.00 19.45 20.15 1wil n ALA 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wil h HIS 63 N 0.00 0.00 -4.16 0.00 -0.00 -1.86 -2.21 115.15 106.92 1wil h HIS 63 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 60.37 59.86 1wil h HIS 63 Cb 0.36 0.00 0.11 0.00 -0.00 0.00 0.00 27.41 27.88 1wil h HIS 63 CO 0.00 0.42 0.40 -0.08 -0.00 0.00 0.00 177.93 178.67 1wil s THR 64 N -1.94 3.00 -1.56 6.26 -1.32 -1.26 -3.29 115.64 115.52 1wil s THR 64 Ca -0.11 0.52 -0.13 0.00 -1.21 0.00 0.00 61.69 60.76 1wil s THR 64 Cb 0.00 -3.09 0.10 0.00 -1.51 0.00 0.00 72.50 68.00 1wil s THR 64 CO 0.28 -0.23 0.86 1.21 -2.21 0.00 0.00 174.62 174.52 1wil n GLU 65 N -2.12 -4.56 -3.78 7.08 2.13 -1.26 -1.47 120.64 116.67 1wil n GLU 65 Ca 0.12 0.51 -0.30 0.00 0.66 0.00 0.00 57.16 58.14 1wil n GLU 65 Cb 0.51 -5.26 -0.06 0.00 0.27 0.00 0.00 31.44 26.90 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 -4.54 -0.14 0.00 6.31 -2.24 -1.21 -4.82 114.28 107.64 1wil n THR 66 Ca -0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1wil n THR 66 Cb 0.54 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.16 0.00 3.03 3.38 0.00 -0.54 -4.59 105.19 105.31 1wil n GLY 67 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 2.29 -0.14 1.61 -0.11 -0.85 -4.95 118.94 116.78 1wil s TRP 68 Ca 0.00 -1.35 -0.16 0.00 1.22 0.00 0.00 56.10 55.81 1wil s TRP 68 Cb 0.00 -1.64 -0.04 0.00 -1.50 0.00 0.00 33.47 30.28 1wil s TRP 68 CO 0.00 -0.70 0.37 -1.12 -4.62 0.00 0.00 176.95 170.88 1wil s SER 69 N 1.45 6.54 0.43 5.86 0.01 -1.26 -4.76 113.70 121.97 1wil s SER 69 Ca 0.04 0.63 -0.22 0.00 1.31 0.00 0.00 55.95 57.71 1wil s SER 69 Cb -0.14 -2.23 -0.13 0.00 0.21 0.00 0.00 66.02 63.74 1wil s SER 69 CO -0.10 0.05 0.43 0.00 0.41 0.00 0.00 173.24 174.02 1wil h HIS 71 N 0.62 0.54 -0.70 0.00 2.76 -2.01 0.41 115.15 116.78 1wil h HIS 71 Ca -0.40 0.05 -0.46 0.00 -2.20 0.00 0.00 60.37 57.36 1wil h HIS 71 Cb 1.41 -0.09 -0.28 0.00 1.55 0.00 0.00 27.41 30.01 1wil h HIS 71 CO 0.34 -0.24 -0.02 2.48 -1.30 0.00 0.00 177.93 179.19 1wil n TYR 72 N -5.19 2.34 -3.02 5.26 4.11 -1.26 -5.02 117.16 114.37 1wil n TYR 72 Ca 0.26 -2.22 -0.35 0.00 -0.00 0.00 0.00 57.90 55.59 1wil n TYR 72 Cb 0.84 -0.74 -0.06 0.00 -0.00 0.00 0.00 39.34 39.38 1wil n TYR 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1wil n ASP 74 N 0.43 -2.64 -3.25 0.00 8.00 -1.26 -3.70 116.55 114.13 1wil n ASP 74 Ca 0.00 -0.07 -0.20 0.00 0.71 0.00 0.00 54.79 55.23 1wil n ASP 74 Cb 0.51 -0.82 0.07 0.00 -0.02 0.00 0.00 41.12 40.87 1wil n ASP 74 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1wil n ASN 75 N 0.06 -5.03 -4.56 -2.24 5.03 -1.26 -4.85 115.26 102.41 1wil n ASN 75 Ca -0.00 -0.50 -0.37 0.00 0.87 0.00 0.00 54.58 54.58 1wil n ASN 75 Cb 0.66 -4.58 -0.03 0.00 -1.02 0.00 0.00 39.78 34.81 1wil n ASN 75 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1wil n ILE 76 N -4.53 -0.02 -3.68 2.41 5.41 -1.24 -4.90 119.36 112.81 1wil n ILE 76 Ca -0.05 -0.74 -0.38 0.00 1.00 0.00 0.00 62.75 62.59 1wil n ILE 76 Cb 0.58 -2.72 -0.09 0.00 -0.71 0.00 0.00 39.64 36.69 1wil n ILE 76 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1wil s ASN 77 N 11.58 5.40 -0.10 4.38 -0.87 -1.26 -5.07 114.94 129.00 1wil s ASN 77 Ca 0.99 -2.62 -0.20 0.00 -1.57 0.00 0.00 52.86 49.46 1wil s ASN 77 Cb -0.22 -1.89 -0.04 0.00 -0.02 0.00 0.00 41.25 39.07 1wil s ASN 77 CO 0.28 -0.44 0.56 -0.22 -2.57 0.00 0.00 177.10 174.71 1wil s LEU 78 N 0.28 4.28 0.04 0.60 0.20 -1.26 -5.07 118.68 117.75 1wil s LEU 78 Ca 0.15 0.94 0.08 0.00 0.69 0.00 0.00 54.13 55.99 1wil s LEU 78 Cb -0.20 -2.83 -0.03 0.00 -0.43 0.00 0.00 46.19 42.70 1wil s LEU 78 CO -0.04 -0.05 -0.23 -0.76 -0.29 0.00 0.00 176.35 174.98 1wil s LEU 79 N 0.74 2.16 -0.01 -0.68 2.01 -1.26 -5.12 118.68 116.52 1wil s LEU 79 Ca 0.30 -0.54 -0.23 0.00 0.01 0.00 0.00 54.13 53.67 1wil s LEU 79 Cb -0.16 -1.12 -0.05 0.00 0.01 0.00 0.00 46.19 44.87 1wil s LEU 79 CO 0.13 0.21 0.67 -0.22 1.01 0.00 0.00 176.35 178.15 1wil s LEU 80 N -1.15 4.40 0.28 1.79 2.96 -1.26 -5.07 118.68 120.63 1wil s LEU 80 Ca 0.09 1.25 0.06 0.00 -0.22 0.00 0.00 54.13 55.32 1wil s LEU 80 Cb -0.09 -3.06 -0.06 0.00 0.50 0.00 0.00 46.19 43.48 1wil s LEU 80 CO 0.02 0.01 -0.05 0.28 -1.32 0.00 0.00 176.35 175.29 1wil s THR 81 N 0.15 1.63 0.40 3.68 -1.32 -1.26 -5.15 115.64 113.77 1wil s THR 81 Ca 0.35 -2.12 -0.10 0.00 -1.21 0.00 0.00 61.69 58.61 1wil s THR 81 Cb -0.19 -2.48 -0.06 0.00 -1.51 0.00 0.00 72.50 68.26 1wil s THR 81 CO 0.19 -0.28 0.75 -0.70 -2.21 0.00 0.00 174.62 172.38 1wil s GLU 82 N -3.73 3.77 -0.91 7.08 2.56 -1.26 -4.20 118.70 122.01 1wil s GLU 82 Ca 0.30 0.44 -0.05 0.00 0.00 0.00 0.00 54.97 55.65 1wil s GLU 82 Cb 0.04 -2.41 0.01 0.00 2.00 0.00 0.00 34.13 33.77 1wil s GLU 82 CO 0.12 -0.02 0.79 -1.91 -0.56 0.00 0.00 175.26 173.68 1wil n GLU 83 N -1.27 -5.32 -3.69 4.30 2.13 -1.26 -5.02 120.64 110.51 1wil n GLU 83 Ca 0.02 0.56 -0.13 0.00 0.66 0.00 0.00 57.16 58.28 1wil n GLU 83 Cb 0.54 -4.79 -0.09 0.00 0.27 0.00 0.00 31.44 27.37 1wil n GLU 83 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1wil s SER 84 N -3.29 -0.58 -0.44 4.31 0.01 -1.26 -5.09 113.70 107.36 1wil s SER 84 Ca 0.36 1.07 0.09 0.00 1.31 0.00 0.00 55.95 58.78 1wil s SER 84 Cb -0.16 1.06 0.31 0.00 0.21 0.00 0.00 66.02 67.44 1wil s SER 84 CO 0.49 -0.19 0.71 0.61 0.41 0.00 0.00 173.24 175.28 1wil n GLY 85 N 3.12 3.89 3.69 3.44 0.00 -1.26 -4.94 105.19 113.13 1wil n GLY 85 Ca -0.15 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.26 0.76 -0.77 1.61 0.04 -1.26 -5.01 135.00 128.10 1wil s PRO 86 Ca 0.40 0.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.07 1wil s PRO 86 Cb 0.26 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 33.23 1wil s PRO 86 CO -0.09 -2.54 0.61 -1.12 0.04 0.00 0.00 177.00 173.90 1wil s SER 87 N -3.45 5.50 -1.68 6.66 0.01 -1.26 -4.78 113.70 114.70 1wil s SER 87 Ca 0.65 -3.48 -0.16 0.00 1.31 0.00 0.00 55.95 54.27 1wil s SER 87 Cb -0.18 -1.83 0.14 0.00 0.21 0.00 0.00 66.02 64.35 1wil s SER 87 CO 0.57 -0.22 0.67 -1.20 0.41 0.00 0.00 173.24 173.47 1wil n SER 88 N 2.61 -2.46 -0.00 2.44 7.64 -1.26 -5.36 113.62 117.23 1wil n SER 88 Ca 0.17 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1wil n SER 88 Cb 0.37 -2.59 0.00 0.00 -1.01 0.00 0.00 64.21 60.98 1wil n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64