#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wil n SER 2 N 0.00 1.55 -3.90 1.61 2.88 -1.26 -4.87 113.62 109.63 1wil n SER 2 Ca 0.00 0.15 -0.30 0.00 -1.33 0.00 0.00 58.87 57.39 1wil n SER 2 Cb 0.00 -1.22 -0.14 0.00 -0.75 0.00 0.00 64.21 62.11 1wil n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wil s SER 3 N 8.85 4.25 -0.42 -3.46 0.15 -1.26 -4.95 113.70 116.85 1wil s SER 3 Ca 1.15 -3.08 0.10 0.00 0.70 0.00 0.00 55.95 54.83 1wil s SER 3 Cb -0.86 -1.54 0.36 0.00 -1.71 0.00 0.00 66.02 62.27 1wil s SER 3 CO 0.45 -0.21 0.81 0.61 1.20 0.00 0.00 173.24 176.10 1wil n GLY 4 N 3.01 4.03 0.25 9.45 0.00 -1.26 -4.89 105.19 115.78 1wil n GLY 4 Ca 0.08 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.28 1wil n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wil h SER 5 N 2.98 0.00 -3.47 1.61 4.64 -2.03 -3.39 113.55 113.90 1wil h SER 5 Ca 0.10 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.82 1wil h SER 5 Cb 0.87 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.84 1wil h SER 5 CO 0.59 0.00 -0.22 -0.55 -0.87 0.00 0.00 176.83 175.78 1wil s SER 6 N -4.34 6.43 -0.37 4.97 0.15 -1.26 -4.97 113.70 114.30 1wil s SER 6 Ca -0.03 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.11 1wil s SER 6 Cb 0.08 -2.23 0.25 0.00 -1.71 0.00 0.00 66.02 62.42 1wil s SER 6 CO 0.26 -0.06 1.12 0.61 1.20 0.00 0.00 173.24 176.37 1wil n GLY 7 N 3.90 -1.32 0.00 9.45 0.00 -1.26 -4.99 105.19 110.97 1wil n GLY 7 Ca -0.09 0.84 0.02 0.00 0.00 0.00 0.00 46.02 46.80 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 1.79 0.48 -3.06 1.61 -0.04 -1.26 -4.59 135.00 129.94 1wil n PRO 8 Ca 0.05 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 1wil n PRO 8 Cb 0.67 -1.15 -0.05 0.00 -0.04 0.00 0.00 33.50 32.93 1wil n PRO 8 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wil s ARG 9 N -2.00 4.44 -1.21 0.54 3.52 -1.26 -4.17 118.95 118.81 1wil s ARG 9 Ca 0.07 0.96 -0.04 0.00 -0.13 0.00 0.00 55.73 56.59 1wil s ARG 9 Cb 0.03 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1wil s ARG 9 CO 0.05 0.34 0.08 0.39 -0.81 0.00 0.00 175.30 175.36 1wil n GLU 10 N 2.65 -0.86 -2.20 5.12 -0.58 -1.26 -4.81 120.64 118.71 1wil n GLU 10 Ca -0.04 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 1wil n GLU 10 Cb 0.50 -2.71 -0.03 0.00 -0.57 0.00 0.00 31.44 28.64 1wil n GLU 10 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1wil s PRO 11 N -6.61 4.31 -0.15 3.49 0.04 -1.26 -5.02 135.00 129.80 1wil s PRO 11 Ca 0.06 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.06 1wil s PRO 11 Cb -0.03 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1wil s PRO 11 CO 0.80 -0.47 0.08 0.08 0.04 0.00 0.00 177.00 177.53 1wil s VAL 12 N 1.54 5.01 0.21 -0.36 1.01 -1.26 -5.05 120.40 121.50 1wil s VAL 12 Ca 0.64 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 1wil s VAL 12 Cb -0.35 -3.22 -0.12 0.00 0.00 0.00 0.00 36.38 32.70 1wil s VAL 12 CO 0.29 0.53 0.22 0.55 0.00 0.00 0.00 175.10 176.69 1wil n VAL 13 N 2.85 0.95 -3.79 2.92 3.14 -1.26 -4.97 118.33 118.17 1wil n VAL 13 Ca -0.18 -0.36 -0.13 0.00 -2.96 0.00 0.00 64.34 60.72 1wil n VAL 13 Cb 0.53 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.19 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 -0.71 -0.23 0.15 6.55 0.02 -1.26 -5.06 114.94 114.40 1wil s ASN 14 Ca 0.44 0.45 0.00 0.00 -1.02 0.00 0.00 52.86 52.73 1wil s ASN 14 Cb -0.56 0.43 0.00 0.00 0.02 0.00 0.00 41.25 41.14 1wil s ASN 14 CO 0.42 -0.09 0.00 0.47 0.02 0.00 0.00 177.10 177.92 1wil n ASP 15 N 3.19 0.60 -4.04 -1.22 8.00 -1.26 -5.01 116.55 116.80 1wil n ASP 15 Ca -0.15 0.24 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 1wil n ASP 15 Cb 0.57 -0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 41.47 1wil n ASP 15 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1wil s GLU 16 N -2.00 1.61 -0.07 -1.24 -1.05 -1.26 -4.80 118.70 109.89 1wil s GLU 16 Ca 0.00 -1.85 0.02 0.00 -0.15 0.00 0.00 54.97 52.99 1wil s GLU 16 Cb 0.00 -3.28 0.01 0.00 -0.44 0.00 0.00 34.13 30.42 1wil s GLU 16 CO 0.00 -0.96 -0.14 -1.64 0.95 0.00 0.00 175.26 173.47 1wil s MET 17 N 0.96 1.89 0.26 -4.83 -1.94 -1.26 -4.27 119.30 110.11 1wil s MET 17 Ca 0.10 -0.48 -0.29 0.00 -1.71 0.00 0.00 55.69 53.32 1wil s MET 17 Cb -0.20 -1.54 -0.15 0.00 2.01 0.00 0.00 34.83 34.95 1wil s MET 17 CO -0.07 0.04 0.96 0.00 -0.01 0.00 0.00 175.02 175.94 1wil n ASP 19 N 1.42 0.00 0.00 0.00 8.00 -1.01 0.16 116.55 125.12 1wil n ASP 19 Ca 0.11 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1wil n ASP 19 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.92 0.00 0.00 2.53 0.31 -1.26 -4.81 118.33 114.18 1wil n VAL 20 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1wil n VAL 20 Cb 0.08 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 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 -1.55 -4.89 -4.05 0.00 1.02 0.42 -4.83 120.64 106.77 1wil n GLU 22 Ca 0.00 0.57 -0.08 0.00 -0.02 0.00 0.00 57.16 57.62 1wil n GLU 22 Cb 0.06 -5.24 -0.10 0.00 -0.02 0.00 0.00 31.44 26.14 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 -3.51 0.20 0.41 2.62 -7.23 -1.26 -4.68 120.40 106.96 1wil s VAL 23 Ca 0.36 -1.41 0.04 0.00 -1.81 0.00 0.00 61.98 59.17 1wil s VAL 23 Cb -0.18 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.74 1wil s VAL 23 CO 0.84 -0.76 0.03 -1.66 -0.31 0.00 0.00 175.10 173.24 1wil s TRP 24 N -2.78 2.14 -0.01 2.82 1.48 -1.26 -2.98 118.94 118.35 1wil s TRP 24 Ca -0.03 -0.88 -0.09 0.00 -1.06 0.00 0.00 56.10 54.04 1wil s TRP 24 Cb -0.00 -1.55 0.01 0.00 -1.16 0.00 0.00 33.47 30.77 1wil s TRP 24 CO -0.06 0.20 0.18 0.95 -4.06 0.00 0.00 176.95 174.17 1wil s THR 25 N -2.95 0.07 0.32 0.66 -4.23 -1.26 -5.04 115.64 103.20 1wil s THR 25 Ca 0.27 -0.57 0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1wil s THR 25 Cb 0.07 -0.45 0.30 0.00 1.34 0.00 0.00 72.50 73.76 1wil s THR 25 CO 0.13 -0.31 1.84 0.00 -0.54 0.00 0.00 174.62 175.74 1wil h ALA 26 N 4.36 1.68 -2.02 3.99 0.00 -2.03 -3.42 119.26 121.82 1wil h ALA 26 Ca -0.30 0.03 -0.42 0.00 0.00 0.00 0.00 54.91 54.22 1wil h ALA 26 Cb 1.19 -0.15 0.18 0.00 0.00 0.00 0.00 17.79 19.01 1wil h ALA 26 CO 0.40 0.05 0.22 -1.21 0.00 0.00 0.00 179.25 178.71 1wil s GLU 27 N -5.82 -0.71 0.32 0.00 8.01 -1.26 -4.98 118.70 114.25 1wil s GLU 27 Ca -0.11 -0.17 -0.29 0.00 0.01 0.00 0.00 54.97 54.41 1wil s GLU 27 Cb 0.23 -1.67 -0.10 0.00 -4.31 0.00 0.00 34.13 28.28 1wil s GLU 27 CO 0.80 -3.35 1.26 -1.54 0.01 0.00 0.00 175.26 172.43 1wil s SER 28 N -4.18 6.89 0.23 -0.19 1.04 -1.26 -5.04 113.70 111.19 1wil s SER 28 Ca 0.72 2.59 0.07 0.00 0.48 0.00 0.00 55.95 59.82 1wil s SER 28 Cb -0.08 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 1wil s SER 28 CO 0.55 -0.44 0.12 -0.22 0.98 0.00 0.00 173.24 174.23 1wil s LEU 29 N -1.72 3.61 0.20 2.42 2.96 -1.26 -5.02 118.68 119.87 1wil s LEU 29 Ca 0.48 -0.34 0.10 0.00 -0.22 0.00 0.00 54.13 54.14 1wil s LEU 29 Cb -0.38 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1wil s LEU 29 CO 0.50 0.00 -0.11 -0.36 -1.32 0.00 0.00 176.35 175.06 1wil s PHE 30 N -2.08 2.56 -0.02 5.38 0.40 -1.26 -3.98 117.98 118.98 1wil s PHE 30 Ca 0.32 -0.25 -0.25 0.00 -0.60 0.00 0.00 56.93 56.15 1wil s PHE 30 Cb -0.08 -1.23 -0.19 0.00 0.51 0.00 0.00 43.02 42.03 1wil s PHE 30 CO 0.23 0.54 1.19 -1.00 0.70 0.00 0.00 175.22 176.88 1wil h PRO 31 N 2.77 -0.10 -5.26 0.24 0.13 -1.89 -2.89 132.00 124.99 1wil h PRO 31 Ca -0.46 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.18 1wil h PRO 31 Cb 1.22 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1wil h PRO 31 CO 0.54 0.35 -0.60 0.00 -0.23 0.00 0.00 178.00 178.07 1wil n ARG 33 N -0.75 1.15 -0.15 0.00 0.00 -1.26 -4.63 116.66 111.02 1wil n ARG 33 Ca -0.03 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.85 57.66 1wil n ARG 33 Cb 0.67 -1.16 -0.01 0.00 -0.00 0.00 0.00 32.46 31.96 1wil n ARG 33 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1wil h VAL 34 N 0.00 1.27 -4.10 8.89 -1.51 -1.97 -3.45 116.25 115.38 1wil h VAL 34 Ca -0.06 -1.39 -0.56 0.00 -1.23 0.00 0.00 66.70 63.46 1wil h VAL 34 Cb 0.68 1.16 0.16 0.00 -2.13 0.00 0.00 31.29 31.16 1wil h VAL 34 CO 0.00 0.48 0.52 0.00 -1.23 0.00 0.00 177.57 177.34 1wil n THR 36 N -1.92 1.93 -3.18 0.00 -2.24 -1.26 -4.59 114.28 103.02 1wil n THR 36 Ca 0.16 -0.60 0.05 0.00 -2.27 0.00 0.00 64.05 61.38 1wil n THR 36 Cb 0.48 -1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.35 1wil n THR 36 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wil s ARG 37 N -0.36 0.18 -0.06 -0.78 3.52 -1.26 -5.07 118.95 115.12 1wil s ARG 37 Ca 0.06 0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.99 1wil s ARG 37 Cb 0.05 0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 1wil s ARG 37 CO 0.00 -0.17 0.01 0.14 -0.81 0.00 0.00 175.30 174.47 1wil s VAL 38 N 2.83 4.37 -0.22 7.11 -7.23 -1.26 -4.85 120.40 121.14 1wil s VAL 38 Ca -0.02 -0.31 -0.04 0.00 -1.81 0.00 0.00 61.98 59.80 1wil s VAL 38 Cb -0.09 -2.88 0.11 0.00 0.56 0.00 0.00 36.38 34.09 1wil s VAL 38 CO -0.12 0.54 0.37 0.72 -0.31 0.00 0.00 175.10 176.30 1wil s PHE 39 N -0.96 -0.76 0.52 2.82 -0.71 -1.10 -2.40 117.98 115.39 1wil s PHE 39 Ca 0.15 1.01 -0.20 0.00 -1.04 0.00 0.00 56.93 56.86 1wil s PHE 39 Cb -0.11 0.08 -0.10 0.00 -1.21 0.00 0.00 43.02 41.68 1wil s PHE 39 CO 0.05 -0.62 0.57 0.72 -1.34 0.00 0.00 175.22 174.60 1wil n HIS 40 N 5.37 -0.49 0.09 3.49 8.25 -1.19 -3.20 115.22 127.53 1wil n HIS 40 Ca -0.05 0.49 -0.16 0.00 -0.26 0.00 0.00 57.72 57.74 1wil n HIS 40 Cb 0.50 -1.98 -0.09 0.00 1.12 0.00 0.00 29.99 29.53 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 0.49 0.54 0.74 0.41 3.58 -2.01 -3.17 116.42 117.00 1wil h ASP 41 Ca -0.44 -0.49 0.00 0.00 0.42 0.00 0.00 57.03 56.52 1wil h ASP 41 Cb 1.39 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1wil h ASP 41 CO 0.49 1.33 0.00 0.61 -2.88 0.00 0.00 179.24 178.78 1wil n GLY 42 N 1.22 -1.23 0.09 -0.78 0.00 -1.26 -3.37 105.19 99.87 1wil n GLY 42 Ca -0.08 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1wil n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wil h LEU 44 N -0.92 0.82 -0.64 0.00 3.38 -1.57 0.45 115.31 116.83 1wil h LEU 44 Ca -0.20 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1wil h LEU 44 Cb 1.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1wil h LEU 44 CO -0.09 0.44 -0.33 0.08 0.09 0.00 0.00 178.44 178.63 1wil h ARG 45 N 0.88 0.71 0.01 1.13 0.11 -1.70 0.48 114.38 116.00 1wil h ARG 45 Ca 0.47 -0.33 -0.00 0.00 0.10 0.00 0.00 59.98 60.22 1wil h ARG 45 Cb 0.55 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.62 1wil h ARG 45 CO -0.23 0.94 -0.01 -0.09 0.10 0.00 0.00 179.97 180.68 1wil h ARG 46 N 0.60 -0.02 -0.78 0.08 1.12 -1.09 -3.38 114.38 110.92 1wil h ARG 46 Ca 0.07 0.00 0.10 0.00 -1.11 0.00 0.00 59.98 59.04 1wil h ARG 46 Cb 0.84 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 30.70 1wil h ARG 46 CO 0.07 -0.01 -0.37 -0.12 -3.11 0.00 0.00 179.97 176.43 1wil n MET 47 N -2.41 -0.25 0.00 0.20 1.56 0.14 -4.76 117.12 111.61 1wil n MET 47 Ca -0.00 1.19 0.00 0.00 -0.27 0.00 0.00 57.70 58.62 1wil n MET 47 Cb 0.01 -1.76 0.00 0.00 2.15 0.00 0.00 33.22 33.61 1wil n MET 47 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1wil n GLY 48 N -1.30 -0.26 1.13 -5.12 0.00 -1.08 -5.09 105.19 93.47 1wil n GLY 48 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.24 1.61 4.01 0.17 -4.92 117.16 118.26 1wil n TYR 49 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1wil n TYR 49 Cb 0.00 0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 39.04 1wil n TYR 49 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1wil h ILE 50 N 0.00 0.39 -3.28 -0.72 2.04 -1.82 -3.42 117.51 110.70 1wil h ILE 50 Ca 0.00 -0.47 -0.57 0.00 1.00 0.00 0.00 64.86 64.83 1wil h ILE 50 Cb 0.00 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1wil h ILE 50 CO 0.00 0.06 1.02 -1.58 0.00 0.00 0.00 178.15 177.65 1wil s GLN 51 N -4.64 3.70 0.00 2.37 2.00 -1.26 -4.57 119.66 117.26 1wil s GLN 51 Ca -0.14 1.00 0.00 0.00 -2.00 0.00 0.00 55.36 54.22 1wil s GLN 51 Cb 0.02 -3.97 0.00 0.00 0.80 0.00 0.00 33.01 29.86 1wil s GLN 51 CO 0.49 -1.40 0.00 0.41 -0.50 0.00 0.00 175.29 174.28 1wil n GLY 52 N 4.80 -0.47 2.18 2.59 0.00 -1.26 -4.78 105.19 108.24 1wil n GLY 52 Ca 0.15 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1wil n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wil n ASP 53 N 0.00 5.72 -0.08 1.61 8.00 -1.26 -4.72 116.55 125.82 1wil n ASP 53 Ca 0.00 -3.76 -0.07 0.00 0.71 0.00 0.00 54.79 51.67 1wil n ASP 53 Cb 0.00 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.53 1wil n ASP 53 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wil n SER 54 N -0.74 1.77 -3.98 -2.24 3.41 -1.26 -5.07 113.62 105.52 1wil n SER 54 Ca 0.49 0.43 -0.25 0.00 -0.26 0.00 0.00 58.87 59.28 1wil n SER 54 Cb 0.83 -0.77 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 1wil n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wil s ALA 55 N -2.85 2.78 0.84 7.33 0.00 -1.26 -5.17 121.76 123.43 1wil s ALA 55 Ca -0.22 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.33 1wil s ALA 55 Cb 0.03 0.87 0.17 0.00 0.00 0.00 0.00 23.12 24.19 1wil s ALA 55 CO 0.33 -0.39 1.15 0.00 0.00 0.00 0.00 175.76 176.84 1wil s ALA 56 N -3.24 3.05 -0.20 0.00 0.00 -1.26 -4.90 121.76 115.21 1wil s ALA 56 Ca 0.26 -1.54 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 1wil s ALA 56 Cb 0.02 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1wil s ALA 56 CO 0.17 -1.94 1.98 -1.21 0.00 0.00 0.00 175.76 174.76 1wil s GLU 57 N -5.49 3.46 -0.23 0.00 2.02 -1.26 -4.94 118.70 112.26 1wil s GLU 57 Ca 0.70 1.93 -0.03 0.00 0.02 0.00 0.00 54.97 57.59 1wil s GLU 57 Cb -0.04 -4.24 0.11 0.00 0.10 0.00 0.00 34.13 30.05 1wil s GLU 57 CO 0.48 -1.72 0.23 0.08 0.02 0.00 0.00 175.26 174.36 1wil s VAL 58 N 6.81 -0.32 0.98 2.63 1.01 -1.26 -5.06 120.40 125.18 1wil s VAL 58 Ca 0.89 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.42 1wil s VAL 58 Cb -0.31 -0.79 -0.15 0.00 0.00 0.00 0.00 36.38 35.14 1wil s VAL 58 CO 0.35 -0.33 -0.80 1.07 0.00 0.00 0.00 175.10 175.39 1wil n THR 59 N 5.31 0.00 -3.87 3.92 5.66 -1.26 -4.96 114.28 119.08 1wil n THR 59 Ca -0.05 -0.48 -0.30 0.00 -3.05 0.00 0.00 64.05 60.17 1wil n THR 59 Cb 0.48 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.11 1wil n THR 59 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1wil s GLU 60 N -1.95 1.22 -1.06 1.09 0.41 -1.26 -5.06 118.70 112.08 1wil s GLU 60 Ca 0.39 -1.11 -0.12 0.00 -0.41 0.00 0.00 54.97 53.72 1wil s GLU 60 Cb -0.17 -2.46 0.23 0.00 -1.78 0.00 0.00 34.13 29.95 1wil s GLU 60 CO 0.81 -0.78 1.11 -1.64 -0.49 0.00 0.00 175.26 174.27 1wil s MET 61 N 1.43 4.01 -0.16 1.61 -1.94 -1.26 -4.80 119.30 118.19 1wil s MET 61 Ca 0.02 -2.81 -0.12 0.00 -1.71 0.00 0.00 55.69 51.07 1wil s MET 61 Cb -0.18 -4.67 -0.05 0.00 2.01 0.00 0.00 34.83 31.94 1wil s MET 61 CO -0.12 -1.41 -0.21 0.00 -0.01 0.00 0.00 175.02 173.26 1wil n ALA 62 N 3.91 0.61 -2.40 3.03 0.00 -1.26 -4.01 120.51 120.39 1wil n ALA 62 Ca 0.25 -0.55 -0.37 0.00 0.00 0.00 0.00 53.44 52.76 1wil n ALA 62 Cb 0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1wil n ALA 62 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wil s HIS 63 N -2.45 2.37 0.06 0.00 2.46 -1.26 -3.91 115.29 112.55 1wil s HIS 63 Ca -0.20 -0.56 -0.04 0.00 0.47 0.00 0.00 55.06 54.73 1wil s HIS 63 Cb 0.03 -4.49 -0.02 0.00 -0.13 0.00 0.00 32.58 27.96 1wil s HIS 63 CO 0.30 -1.78 0.05 0.99 -2.47 0.00 0.00 174.74 171.83 1wil s THR 64 N 6.60 0.18 0.15 0.89 2.01 -1.26 -5.00 115.64 119.22 1wil s THR 64 Ca 0.56 -1.48 -0.20 0.00 0.31 0.00 0.00 61.69 60.88 1wil s THR 64 Cb -0.01 -1.31 0.05 0.00 0.01 0.00 0.00 72.50 71.25 1wil s THR 64 CO -0.01 -0.82 1.25 1.21 -0.69 0.00 0.00 174.62 175.56 1wil n GLU 65 N 0.24 -0.28 -0.07 4.92 2.13 -1.26 -2.04 120.64 124.28 1wil n GLU 65 Ca -0.16 1.23 -0.19 0.00 0.66 0.00 0.00 57.16 58.71 1wil n GLU 65 Cb 0.61 -1.82 -0.13 0.00 0.27 0.00 0.00 31.44 30.37 1wil n GLU 65 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1wil h THR 66 N 0.00 1.28 0.00 6.31 1.35 -1.97 -3.51 112.91 116.37 1wil h THR 66 Ca 0.20 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 1wil h THR 66 Cb 0.40 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1wil h THR 66 CO -0.78 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 175.60 1wil n GLY 67 N 1.56 -1.39 3.01 5.82 0.00 -0.87 -4.97 105.19 108.35 1wil n GLY 67 Ca -0.22 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.11 2.17 -0.06 1.61 -0.00 -1.25 -4.91 118.94 116.38 1wil s TRP 68 Ca 0.00 -1.25 -0.30 0.00 -0.00 0.00 0.00 56.10 54.56 1wil s TRP 68 Cb 0.00 -1.59 -0.02 0.00 -0.00 0.00 0.00 33.47 31.86 1wil s TRP 68 CO 0.00 -0.67 1.06 -1.12 -0.00 0.00 0.00 176.95 176.22 1wil s SER 69 N 1.48 7.22 0.99 5.86 0.01 -1.26 -4.76 113.70 123.24 1wil s SER 69 Ca 0.04 1.66 -0.12 0.00 1.31 0.00 0.00 55.95 58.84 1wil s SER 69 Cb -0.13 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.73 1wil s SER 69 CO -0.10 -0.44 0.43 0.00 0.41 0.00 0.00 173.24 173.54 1wil h HIS 71 N -2.79 0.02 0.00 0.00 2.76 -1.97 -3.18 115.15 109.99 1wil h HIS 71 Ca -0.20 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 1wil h HIS 71 Cb 0.66 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1wil h HIS 71 CO 0.00 0.83 0.20 1.88 -1.30 0.00 0.00 177.93 179.53 1wil h TYR 72 N -0.80 0.00 -3.43 5.26 0.05 -1.99 -3.43 116.97 112.64 1wil h TYR 72 Ca -0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.20 1wil h TYR 72 Cb 0.83 0.00 0.16 0.00 1.01 0.00 0.00 36.73 38.73 1wil h TYR 72 CO 0.21 0.00 0.05 0.00 -1.05 0.00 0.00 178.16 177.37 1wil n ASP 74 N -0.42 5.72 -4.13 0.00 5.75 -1.26 -4.85 116.55 117.35 1wil n ASP 74 Ca 0.13 -3.08 -0.29 0.00 -0.01 0.00 0.00 54.79 51.54 1wil n ASP 74 Cb 0.46 -0.94 -0.17 0.00 -1.03 0.00 0.00 41.12 39.44 1wil n ASP 74 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1wil s ASN 75 N -0.13 2.52 -0.82 -1.12 2.47 -1.26 -5.06 114.94 111.53 1wil s ASN 75 Ca 0.34 -0.45 0.02 0.00 0.42 0.00 0.00 52.86 53.19 1wil s ASN 75 Cb 0.27 -1.16 0.30 0.00 -1.45 0.00 0.00 41.25 39.21 1wil s ASN 75 CO 0.01 0.10 1.18 2.30 -3.72 0.00 0.00 177.10 176.98 1wil n ILE 76 N 3.67 4.01 -3.86 -5.21 -5.35 -1.26 -4.93 119.36 106.43 1wil n ILE 76 Ca -0.21 -5.64 -0.29 0.00 -0.27 0.00 0.00 62.75 56.35 1wil n ILE 76 Cb 0.52 -1.87 -0.12 0.00 -1.74 0.00 0.00 39.64 36.43 1wil n ILE 76 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1wil s ASN 77 N -2.29 4.33 -0.26 7.28 2.47 -1.26 -5.02 114.94 120.20 1wil s ASN 77 Ca 0.39 -3.48 -0.01 0.00 0.42 0.00 0.00 52.86 50.18 1wil s ASN 77 Cb 0.15 -1.49 0.14 0.00 -1.45 0.00 0.00 41.25 38.60 1wil s ASN 77 CO -0.02 -0.14 0.38 -0.22 -3.72 0.00 0.00 177.10 173.38 1wil s LEU 78 N -0.89 -0.63 0.06 3.21 0.20 -1.26 -5.07 118.68 114.30 1wil s LEU 78 Ca 0.23 -0.03 -0.01 0.00 0.69 0.00 0.00 54.13 55.02 1wil s LEU 78 Cb -0.11 1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 46.66 1wil s LEU 78 CO -0.11 -0.32 -0.03 -0.76 -0.29 0.00 0.00 176.35 174.83 1wil s LEU 79 N 2.53 2.47 0.18 -0.68 1.43 -1.26 -5.12 118.68 118.23 1wil s LEU 79 Ca 0.11 -1.01 -0.32 0.00 -1.03 0.00 0.00 54.13 51.89 1wil s LEU 79 Cb -0.14 0.15 -0.11 0.00 0.03 0.00 0.00 46.19 46.12 1wil s LEU 79 CO -0.21 -0.58 1.73 -0.22 0.23 0.00 0.00 176.35 177.30 1wil s LEU 80 N -2.95 4.38 0.00 1.79 2.96 -1.26 -4.85 118.68 118.75 1wil s LEU 80 Ca 0.08 2.82 0.00 0.00 -0.22 0.00 0.00 54.13 56.81 1wil s LEU 80 Cb 0.08 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1wil s LEU 80 CO -0.09 -0.97 0.00 0.35 -1.32 0.00 0.00 176.35 174.33 1wil n THR 81 N 4.16 0.00 -3.68 3.68 -2.24 -1.26 -5.13 114.28 109.82 1wil n THR 81 Ca 0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.84 1wil n THR 81 Cb 0.36 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 1wil n THR 81 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1wil s GLU 82 N -1.49 1.27 -0.25 -0.78 2.12 -1.26 -5.16 118.70 113.15 1wil s GLU 82 Ca 0.00 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.52 1wil s GLU 82 Cb 0.00 0.51 0.14 0.00 0.26 0.00 0.00 34.13 35.04 1wil s GLU 82 CO 0.00 -0.53 0.43 -2.00 -0.54 0.00 0.00 175.26 172.62 1wil s GLU 83 N -3.84 0.39 0.08 4.30 2.12 -1.26 -5.13 118.70 115.37 1wil s GLU 83 Ca 0.07 0.71 0.06 0.00 0.36 0.00 0.00 54.97 56.16 1wil s GLU 83 Cb -0.00 -0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.21 1wil s GLU 83 CO -0.07 -0.58 -0.15 -1.12 -0.54 0.00 0.00 175.26 172.80 1wil s SER 84 N 2.63 1.81 -0.40 -1.70 0.01 -1.26 -5.09 113.70 109.69 1wil s SER 84 Ca 0.12 -0.66 0.09 0.00 1.31 0.00 0.00 55.95 56.81 1wil s SER 84 Cb -0.15 -0.06 0.29 0.00 0.21 0.00 0.00 66.02 66.32 1wil s SER 84 CO -0.17 -0.08 0.63 0.61 0.41 0.00 0.00 173.24 174.64 1wil n GLY 85 N 1.10 3.35 1.22 3.44 0.00 -1.26 -4.98 105.19 108.06 1wil n GLY 85 Ca -0.20 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 1wil n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wil n PRO 86 N 0.87 -1.77 -3.24 1.61 -0.04 -1.26 -4.49 135.00 126.68 1wil n PRO 86 Ca 0.23 -0.61 -0.16 0.00 -0.04 0.00 0.00 63.50 62.92 1wil n PRO 86 Cb 0.57 -0.57 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 1wil n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wil n SER 87 N -3.66 -4.78 -4.77 3.54 2.88 -1.26 -5.00 113.62 100.58 1wil n SER 87 Ca 0.05 -0.38 -0.37 0.00 -1.33 0.00 0.00 58.87 56.84 1wil n SER 87 Cb 0.21 -3.66 -0.07 0.00 -0.75 0.00 0.00 64.21 59.93 1wil n SER 87 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wil s SER 88 N -3.29 6.52 0.00 -3.46 0.15 -1.26 -5.34 113.70 107.02 1wil s SER 88 Ca 0.37 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1wil s SER 88 Cb -0.16 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1wil s SER 88 CO 0.51 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.73