#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 -4.89 -0.21 1.61 7.64 -1.26 -4.89 113.62 111.62 1wil n SER 2 Ca 0.00 -0.59 -0.03 0.00 1.01 0.00 0.00 58.87 59.26 1wil n SER 2 Cb 0.00 -4.96 0.03 0.00 -1.01 0.00 0.00 64.21 58.28 1wil n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wil h SER 3 N -2.42 -0.96 0.00 6.43 0.02 -2.14 -3.46 113.55 111.02 1wil h SER 3 Ca -0.58 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1wil h SER 3 Cb 1.36 0.52 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1wil h SER 3 CO 0.55 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1wil n GLY 4 N -1.45 3.65 2.79 -3.77 0.00 -1.26 -5.10 105.19 100.06 1wil n GLY 4 Ca 0.06 -0.56 -0.51 0.00 0.00 0.00 0.00 46.02 45.01 1wil n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wil n SER 5 N 0.00 0.75 -3.64 1.61 2.88 -1.26 -4.89 113.62 109.07 1wil n SER 5 Ca 0.00 0.71 -0.05 0.00 -1.33 0.00 0.00 58.87 58.19 1wil n SER 5 Cb 0.00 -0.72 -0.07 0.00 -0.75 0.00 0.00 64.21 62.67 1wil n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wil s SER 6 N 3.96 -0.77 0.00 -3.46 0.15 -1.26 -5.05 113.70 107.27 1wil s SER 6 Ca 0.93 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.81 1wil s SER 6 Cb -1.22 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1wil s SER 6 CO 0.58 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.44 1wil n GLY 7 N 4.04 -0.48 0.00 9.45 0.00 -1.26 -4.94 105.19 111.99 1wil n GLY 7 Ca -0.19 0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.80 1.61 -0.04 -1.26 -4.80 135.00 129.19 1wil n PRO 8 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1wil n PRO 8 Cb 0.00 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 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 4.16 -0.05 0.54 3.52 -1.26 -4.99 118.95 118.88 1wil s ARG 9 Ca 0.10 2.48 -0.01 0.00 -0.13 0.00 0.00 55.73 58.16 1wil s ARG 9 Cb 0.04 -3.69 0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1wil s ARG 9 CO 0.08 -0.82 0.04 -1.21 -0.81 0.00 0.00 175.30 172.58 1wil s GLU 10 N 2.98 0.13 -0.19 5.12 2.02 -1.26 -5.12 118.70 122.38 1wil s GLU 10 Ca 0.79 0.27 -0.29 0.00 0.02 0.00 0.00 54.97 55.76 1wil s GLU 10 Cb -0.43 -0.61 -0.03 0.00 0.10 0.00 0.00 34.13 33.17 1wil s GLU 10 CO 0.35 -0.30 1.59 -1.25 0.02 0.00 0.00 175.26 175.67 1wil s PRO 11 N 1.95 3.90 -0.10 0.39 0.04 -1.26 -4.99 135.00 134.94 1wil s PRO 11 Ca 0.03 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1wil s PRO 11 Cb -0.12 -4.00 0.03 0.00 0.04 0.00 0.00 34.50 30.44 1wil s PRO 11 CO -0.03 -1.16 0.30 0.54 0.04 0.00 0.00 177.00 176.69 1wil s VAL 12 N 4.83 0.01 -0.06 -0.36 0.11 -1.26 -5.16 120.40 118.51 1wil s VAL 12 Ca 0.70 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.62 1wil s VAL 12 Cb -0.26 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1wil s VAL 12 CO 0.28 -0.06 0.05 0.68 -3.33 0.00 0.00 175.10 172.72 1wil s VAL 13 N -0.14 4.66 0.07 2.04 -7.23 -1.26 -5.12 120.40 113.43 1wil s VAL 13 Ca -0.03 -0.22 0.06 0.00 -1.81 0.00 0.00 61.98 59.98 1wil s VAL 13 Cb -0.03 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 1wil s VAL 13 CO 0.01 0.52 -0.17 0.20 -0.31 0.00 0.00 175.10 175.36 1wil s ASN 14 N -1.20 2.00 -0.18 4.85 0.01 -1.26 -5.07 114.94 114.09 1wil s ASN 14 Ca 0.17 -0.58 -0.14 0.00 -0.71 0.00 0.00 52.86 51.59 1wil s ASN 14 Cb -0.12 -0.11 -0.09 0.00 0.41 0.00 0.00 41.25 41.35 1wil s ASN 14 CO 0.06 0.02 -0.12 0.47 -1.51 0.00 0.00 177.10 176.02 1wil n ASP 15 N 1.47 1.86 -4.49 -1.22 8.00 -1.26 -4.78 116.55 116.12 1wil n ASP 15 Ca -0.19 0.50 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 1wil n ASP 15 Cb 0.54 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 1wil n ASP 15 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wil s GLU 16 N -2.41 3.16 -0.07 -1.24 0.41 -1.26 -4.95 118.70 112.34 1wil s GLU 16 Ca -0.23 -0.62 -0.01 0.00 -0.41 0.00 0.00 54.97 53.70 1wil s GLU 16 Cb 0.05 -4.25 0.03 0.00 -1.78 0.00 0.00 34.13 28.17 1wil s GLU 16 CO 0.38 -1.96 -0.02 -1.64 -0.49 0.00 0.00 175.26 171.53 1wil s MET 17 N 4.74 0.83 0.09 1.61 -1.94 -1.26 -3.93 119.30 119.44 1wil s MET 17 Ca 0.28 -0.01 -0.36 0.00 -1.71 0.00 0.00 55.69 53.89 1wil s MET 17 Cb -0.13 -1.05 -0.18 0.00 2.01 0.00 0.00 34.83 35.49 1wil s MET 17 CO 0.11 -0.24 1.05 0.00 -0.01 0.00 0.00 175.02 175.93 1wil n ASP 19 N 1.88 0.00 -0.00 0.00 -0.08 -0.22 0.21 116.55 118.33 1wil n ASP 19 Ca 0.18 -0.48 -0.00 0.00 -1.51 0.00 0.00 54.79 52.98 1wil n ASP 19 Cb 0.17 -0.05 -0.00 0.00 2.34 0.00 0.00 41.12 43.57 1wil n ASP 19 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1wil n VAL 20 N -1.05 0.04 -0.05 5.18 0.31 -1.26 -4.81 118.33 116.69 1wil n VAL 20 Ca 0.13 -0.02 -0.05 0.00 -0.01 0.00 0.00 64.34 64.40 1wil n VAL 20 Cb 0.08 -0.86 -0.08 0.00 -0.91 0.00 0.00 33.84 32.07 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 -2.35 -6.84 -3.73 0.00 1.02 0.56 -4.87 120.64 104.44 1wil n GLU 22 Ca -0.16 0.79 -0.13 0.00 -0.02 0.00 0.00 57.16 57.65 1wil n GLU 22 Cb 0.81 -5.68 -0.13 0.00 -0.02 0.00 0.00 31.44 26.41 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 -3.32 -0.06 0.54 2.62 -7.23 -1.26 -4.71 120.40 106.98 1wil s VAL 23 Ca 0.25 0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.64 1wil s VAL 23 Cb -0.11 -0.38 0.05 0.00 0.56 0.00 0.00 36.38 36.50 1wil s VAL 23 CO 0.69 0.06 0.74 -1.66 -0.31 0.00 0.00 175.10 174.63 1wil s TRP 24 N 1.32 2.26 -0.06 2.82 1.48 -1.25 -3.97 118.94 121.53 1wil s TRP 24 Ca -0.09 -0.37 -0.13 0.00 -1.06 0.00 0.00 56.10 54.44 1wil s TRP 24 Cb -0.11 -2.52 0.03 0.00 -1.16 0.00 0.00 33.47 29.71 1wil s TRP 24 CO -0.08 -0.93 0.32 0.95 -4.06 0.00 0.00 176.95 173.14 1wil s THR 25 N -2.66 0.04 0.34 0.66 -4.23 -1.26 -5.03 115.64 103.50 1wil s THR 25 Ca 0.59 -0.29 0.14 0.00 -1.18 0.00 0.00 61.69 60.96 1wil s THR 25 Cb -0.08 -0.55 0.33 0.00 1.34 0.00 0.00 72.50 73.54 1wil s THR 25 CO 0.38 -0.16 1.68 0.00 -0.54 0.00 0.00 174.62 175.97 1wil h ALA 26 N 4.58 1.97 -2.20 3.99 0.00 -2.02 -3.41 119.26 122.16 1wil h ALA 26 Ca -0.28 0.17 -0.43 0.00 0.00 0.00 0.00 54.91 54.37 1wil h ALA 26 Cb 1.18 0.13 0.17 0.00 0.00 0.00 0.00 17.79 19.27 1wil h ALA 26 CO 0.36 -0.55 0.17 -1.83 0.00 0.00 0.00 179.25 177.40 1wil s GLU 27 N -5.66 -0.36 0.28 0.00 -1.05 -1.26 -4.95 118.70 105.71 1wil s GLU 27 Ca -0.10 0.20 -0.30 0.00 -0.15 0.00 0.00 54.97 54.62 1wil s GLU 27 Cb 0.30 -1.67 -0.11 0.00 -0.44 0.00 0.00 34.13 32.20 1wil s GLU 27 CO 0.79 -3.19 1.57 0.45 0.95 0.00 0.00 175.26 175.84 1wil s SER 28 N -3.72 6.42 -0.21 0.83 0.15 -1.26 -4.98 113.70 110.92 1wil s SER 28 Ca 0.68 2.90 -0.11 0.00 0.70 0.00 0.00 55.95 60.12 1wil s SER 28 Cb -0.14 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.49 1wil s SER 28 CO 0.57 -0.88 0.19 -0.22 1.20 0.00 0.00 173.24 174.09 1wil s LEU 29 N -0.41 4.17 0.43 3.45 0.20 -1.26 -4.99 118.68 120.27 1wil s LEU 29 Ca 0.63 0.24 -0.14 0.00 0.69 0.00 0.00 54.13 55.55 1wil s LEU 29 Cb -0.47 -2.17 -0.08 0.00 -0.43 0.00 0.00 46.19 43.04 1wil s LEU 29 CO 0.47 0.10 0.85 -0.36 -0.29 0.00 0.00 176.35 177.12 1wil s PHE 30 N 0.75 3.44 -0.02 5.38 0.40 -1.26 -3.18 117.98 123.49 1wil s PHE 30 Ca 0.10 1.26 -0.25 0.00 -0.60 0.00 0.00 56.93 57.43 1wil s PHE 30 Cb -0.13 -2.61 -0.19 0.00 0.51 0.00 0.00 43.02 40.61 1wil s PHE 30 CO 0.02 -0.17 1.20 -1.00 0.70 0.00 0.00 175.22 175.97 1wil h PRO 31 N 1.32 -0.10 0.00 0.24 0.13 -1.81 -1.91 132.00 129.87 1wil h PRO 31 Ca -0.47 0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.26 1wil h PRO 31 Cb 1.18 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 1wil h PRO 31 CO 0.63 0.36 -0.35 0.00 -0.23 0.00 0.00 178.00 178.41 1wil n ARG 33 N -0.65 1.11 -0.35 0.00 0.00 -1.26 -4.53 116.66 110.99 1wil n ARG 33 Ca -0.03 0.04 -0.02 0.00 -0.00 0.00 0.00 57.85 57.84 1wil n ARG 33 Cb 0.45 -1.37 0.10 0.00 -0.00 0.00 0.00 32.46 31.65 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 1.22 -2.39 8.89 -1.51 -1.98 -3.37 116.25 117.11 1wil h VAL 34 Ca -0.40 -0.42 -0.54 0.00 -1.23 0.00 0.00 66.70 64.10 1wil h VAL 34 Cb 1.78 -0.13 -0.08 0.00 -2.13 0.00 0.00 31.29 30.74 1wil h VAL 34 CO -0.02 0.23 1.06 0.00 -1.23 0.00 0.00 177.57 177.61 1wil n THR 36 N 6.39 -0.39 -1.55 0.00 -1.04 -1.26 -3.91 114.28 112.52 1wil n THR 36 Ca 0.03 1.59 -0.40 0.00 -2.04 0.00 0.00 64.05 63.23 1wil n THR 36 Cb 0.49 -2.05 -0.04 0.00 -1.82 0.00 0.00 70.33 66.91 1wil n THR 36 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1wil n ARG 37 N -4.94 1.25 -4.08 -2.82 3.00 -1.26 -4.71 116.66 103.10 1wil n ARG 37 Ca 0.05 0.17 -0.35 0.00 -0.00 0.00 0.00 57.85 57.73 1wil n ARG 37 Cb 0.24 -3.19 -0.09 0.00 0.00 0.00 0.00 32.46 29.41 1wil n ARG 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1wil s VAL 38 N 10.53 4.72 -0.18 5.15 -7.23 -1.25 -4.77 120.40 127.37 1wil s VAL 38 Ca 1.02 -0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 61.06 1wil s VAL 38 Cb -0.34 -3.09 0.08 0.00 0.56 0.00 0.00 36.38 33.59 1wil s VAL 38 CO 0.32 0.51 0.38 0.72 -0.31 0.00 0.00 175.10 176.72 1wil s PHE 39 N -0.01 -0.70 0.06 2.82 -0.71 -0.72 -1.05 117.98 117.67 1wil s PHE 39 Ca 0.06 1.38 -0.31 0.00 -1.04 0.00 0.00 56.93 57.01 1wil s PHE 39 Cb -0.12 0.22 -0.10 0.00 -1.21 0.00 0.00 43.02 41.81 1wil s PHE 39 CO 0.01 -0.44 1.91 0.72 -1.34 0.00 0.00 175.22 176.08 1wil n HIS 40 N 5.32 2.54 -0.35 3.49 8.25 -1.24 -2.74 115.22 130.49 1wil n HIS 40 Ca -0.09 -0.25 0.03 0.00 -0.26 0.00 0.00 57.72 57.14 1wil n HIS 40 Cb 0.50 -2.76 0.09 0.00 1.12 0.00 0.00 29.99 28.94 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 9.67 -1.09 0.45 0.41 1.82 -1.91 -0.54 116.42 125.23 1wil h ASP 41 Ca -0.48 0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 1wil h ASP 41 Cb 1.24 0.65 -0.02 0.00 0.68 0.00 0.00 39.33 41.88 1wil h ASP 41 CO 0.94 -0.31 -0.40 1.23 -1.61 0.00 0.00 179.24 179.10 1wil h GLY 42 N -0.01 -0.97 -1.63 -0.78 0.00 -1.89 -1.97 103.07 95.81 1wil h GLY 42 Ca 0.41 0.45 0.50 0.00 0.00 0.00 0.00 47.33 48.69 1wil h GLY 42 CO -0.97 -0.33 1.14 0.00 0.00 0.00 0.00 176.54 176.37 1wil h LEU 44 N 0.00 0.19 -0.05 0.00 3.38 -1.12 -0.96 115.31 116.76 1wil h LEU 44 Ca 0.84 -0.19 -0.24 0.00 0.09 0.00 0.00 57.88 58.39 1wil h LEU 44 Cb 3.17 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 43.86 1wil h LEU 44 CO -0.15 0.33 -1.06 0.08 0.09 0.00 0.00 178.44 177.72 1wil h ARG 45 N 0.04 0.24 -0.84 1.13 0.11 0.14 0.49 114.38 115.69 1wil h ARG 45 Ca 0.04 -0.34 -0.03 0.00 0.10 0.00 0.00 59.98 59.76 1wil h ARG 45 Cb 0.20 0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.36 1wil h ARG 45 CO -0.00 1.10 0.40 -0.09 0.10 0.00 0.00 179.97 181.48 1wil h ARG 46 N 0.10 1.21 0.00 0.08 1.12 -0.63 -3.34 114.38 112.92 1wil h ARG 46 Ca -0.09 -0.18 -0.06 0.00 -1.11 0.00 0.00 59.98 58.55 1wil h ARG 46 Cb 1.75 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 31.49 1wil h ARG 46 CO 0.17 0.93 -0.87 -0.12 -3.11 0.00 0.00 179.97 176.97 1wil n MET 47 N -4.30 0.50 0.00 0.20 1.56 -0.37 -4.95 117.12 109.75 1wil n MET 47 Ca 0.08 0.43 0.00 0.00 -0.27 0.00 0.00 57.70 57.94 1wil n MET 47 Cb 0.14 -1.61 0.00 0.00 2.15 0.00 0.00 33.22 33.90 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 1.53 0.13 0.10 -5.12 0.00 0.86 -4.95 105.19 97.73 1wil n GLY 48 Ca -0.15 -0.16 -0.01 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 0.00 -0.04 1.61 4.02 0.13 -4.89 117.16 117.99 1wil n TYR 49 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.83 1wil n TYR 49 Cb 0.00 -0.04 -0.04 0.00 -0.02 0.00 0.00 39.34 39.24 1wil n TYR 49 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1wil n ILE 50 N -2.58 0.53 -3.62 -0.72 -5.35 -1.25 -5.03 119.36 101.33 1wil n ILE 50 Ca -0.02 -0.21 -0.01 0.00 -0.27 0.00 0.00 62.75 62.24 1wil n ILE 50 Cb 0.52 -0.82 -0.04 0.00 -1.74 0.00 0.00 39.64 37.55 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 -2.18 0.57 -1.26 6.28 2.00 -1.26 -5.08 119.66 118.72 1wil s GLN 51 Ca -0.11 1.41 -0.15 0.00 -2.00 0.00 0.00 55.36 54.50 1wil s GLN 51 Cb 0.03 0.83 0.13 0.00 0.80 0.00 0.00 33.01 34.79 1wil s GLN 51 CO 0.22 -0.23 1.63 0.41 -0.50 0.00 0.00 175.29 176.82 1wil n GLY 52 N 5.45 3.23 2.73 2.59 0.00 -1.26 -4.38 105.19 113.54 1wil n GLY 52 Ca -0.11 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 1wil n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wil s ASP 53 N 3.23 3.65 0.67 1.61 1.01 -1.26 -5.10 116.67 120.49 1wil s ASP 53 Ca 0.47 -3.23 -0.11 0.00 0.71 0.00 0.00 52.55 50.39 1wil s ASP 53 Cb 0.02 -1.18 -0.01 0.00 1.01 0.00 0.00 42.92 42.76 1wil s ASP 53 CO 0.03 -0.17 1.07 -0.44 0.21 0.00 0.00 175.17 175.87 1wil s SER 54 N -0.46 5.73 -1.29 0.27 0.01 -1.26 -3.94 113.70 112.76 1wil s SER 54 Ca 0.24 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.74 1wil s SER 54 Cb -0.11 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1wil s SER 54 CO -0.11 -1.17 0.00 0.00 0.41 0.00 0.00 173.24 172.37 1wil n ALA 55 N -2.92 -0.30 -3.15 1.44 0.00 -1.26 -5.00 120.51 109.33 1wil n ALA 55 Ca 0.07 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 1wil n ALA 55 Cb 0.56 -1.55 -0.17 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.58 2.24 -1.09 0.00 0.00 -1.25 -5.05 121.76 114.02 1wil s ALA 56 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 1wil s ALA 56 Cb 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1wil s ALA 56 CO 0.00 0.30 1.78 -1.83 0.00 0.00 0.00 175.76 176.01 1wil s GLU 57 N 0.29 3.08 -0.09 0.00 1.03 -1.26 -4.89 118.70 116.87 1wil s GLU 57 Ca -0.16 -1.08 -0.04 0.00 0.03 0.00 0.00 54.97 53.71 1wil s GLU 57 Cb -0.17 -5.28 0.04 0.00 -0.80 0.00 0.00 34.13 27.92 1wil s GLU 57 CO 0.08 -3.03 0.21 0.08 -1.33 0.00 0.00 175.26 171.26 1wil s VAL 58 N 7.91 -0.04 -0.07 1.83 1.01 -1.26 -5.04 120.40 124.73 1wil s VAL 58 Ca 0.61 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1wil s VAL 58 Cb -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1wil s VAL 58 CO 0.03 0.06 -0.08 0.41 0.00 0.00 0.00 175.10 175.52 1wil n THR 59 N 4.13 0.40 -2.97 3.92 -1.04 -1.26 -4.97 114.28 112.49 1wil n THR 59 Ca -0.25 -0.13 -0.17 0.00 -2.04 0.00 0.00 64.05 61.46 1wil n THR 59 Cb 0.53 -1.12 0.04 0.00 -1.82 0.00 0.00 70.33 67.96 1wil n THR 59 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wil n GLU 60 N -2.98 -4.34 -1.53 -2.82 -0.58 -1.26 -4.39 120.64 102.75 1wil n GLU 60 Ca -0.13 0.66 -0.33 0.00 -0.42 0.00 0.00 57.16 56.93 1wil n GLU 60 Cb 0.62 -5.03 -0.10 0.00 -0.57 0.00 0.00 31.44 26.36 1wil n GLU 60 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1wil n MET 61 N -3.37 0.47 -2.44 3.49 1.56 -1.26 -4.88 117.12 110.69 1wil n MET 61 Ca -0.06 -0.12 -0.36 0.00 -0.27 0.00 0.00 57.70 56.90 1wil n MET 61 Cb 0.58 -2.47 -0.03 0.00 2.15 0.00 0.00 33.22 33.45 1wil n MET 61 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1wil s ALA 62 N 9.90 2.96 -0.84 -5.12 0.00 -1.26 -4.85 121.76 122.56 1wil s ALA 62 Ca 1.15 0.75 -0.25 0.00 0.00 0.00 0.00 51.96 53.62 1wil s ALA 62 Cb -0.65 -3.31 -0.19 0.00 0.00 0.00 0.00 23.12 18.98 1wil s ALA 62 CO 0.36 -0.42 2.49 1.58 0.00 0.00 0.00 175.76 179.77 1wil n HIS 63 N -0.53 0.77 -0.21 0.00 -0.00 -1.26 -4.72 115.22 109.25 1wil n HIS 63 Ca 0.07 0.19 0.14 0.00 0.46 0.00 0.00 57.72 58.59 1wil n HIS 63 Cb 0.50 -2.14 0.26 0.00 -0.12 0.00 0.00 29.99 28.50 1wil n HIS 63 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1wil n THR 64 N 7.43 -0.27 0.00 3.57 -2.24 -1.26 -1.54 114.28 119.97 1wil n THR 64 Ca 0.56 1.37 0.00 0.00 -2.27 0.00 0.00 64.05 63.71 1wil n THR 64 Cb 0.24 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.39 1wil n THR 64 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wil n GLU 65 N -4.68 0.00 -3.54 -0.78 0.00 -1.26 -4.89 120.64 105.49 1wil n GLU 65 Ca 0.19 0.33 -0.20 0.00 0.00 0.00 0.00 57.16 57.48 1wil n GLU 65 Cb 0.63 -0.96 -0.14 0.00 0.00 0.00 0.00 31.44 30.96 1wil n GLU 65 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1wil s THR 66 N -1.10 -0.27 0.00 6.31 -4.23 -0.59 -4.97 115.64 110.79 1wil s THR 66 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1wil s THR 66 Cb 0.00 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.23 1wil s THR 66 CO 0.00 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1wil n GLY 67 N 5.31 0.17 3.77 3.99 0.00 -1.20 -4.65 105.19 112.58 1wil n GLY 67 Ca -0.06 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 0.09 3.30 -0.35 1.61 -0.11 -1.26 -4.92 118.94 117.30 1wil s TRP 68 Ca 0.00 1.59 -0.11 0.00 1.22 0.00 0.00 56.10 58.80 1wil s TRP 68 Cb 0.00 -3.40 0.01 0.00 -1.50 0.00 0.00 33.47 28.58 1wil s TRP 68 CO 0.00 -1.07 0.20 -1.12 -4.62 0.00 0.00 176.95 170.34 1wil s SER 69 N -0.89 5.73 1.07 5.86 0.01 -1.26 -4.94 113.70 119.28 1wil s SER 69 Ca 0.50 -0.72 -0.13 0.00 1.31 0.00 0.00 55.95 56.90 1wil s SER 69 Cb -0.33 -2.04 0.19 0.00 0.21 0.00 0.00 66.02 64.05 1wil s SER 69 CO 0.42 -0.29 0.80 0.00 0.41 0.00 0.00 173.24 174.58 1wil h HIS 71 N -2.23 0.35 -0.88 0.00 3.86 -2.01 -0.05 115.15 114.18 1wil h HIS 71 Ca -0.53 0.05 -0.60 0.00 -1.16 0.00 0.00 60.37 58.12 1wil h HIS 71 Cb 1.31 -0.03 -0.37 0.00 1.06 0.00 0.00 27.41 29.39 1wil h HIS 71 CO 0.33 -0.13 -0.12 2.48 0.86 0.00 0.00 177.93 181.34 1wil n TYR 72 N -5.17 2.96 -2.30 2.45 4.11 -1.26 -4.62 117.16 113.33 1wil n TYR 72 Ca 0.18 -2.56 -0.15 0.00 -0.00 0.00 0.00 57.90 55.37 1wil n TYR 72 Cb 0.58 -0.79 0.04 0.00 -0.00 0.00 0.00 39.34 39.16 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 -3.64 4.37 0.00 0.00 2.15 -1.26 -4.37 116.67 113.92 1wil s ASP 74 Ca 0.42 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.14 1wil s ASP 74 Cb 0.38 -1.70 0.00 0.00 -0.30 0.00 0.00 42.92 41.29 1wil s ASP 74 CO 0.01 0.13 0.00 0.59 -0.17 0.00 0.00 175.17 175.72 1wil n ASN 75 N 3.79 1.76 -4.57 -0.34 4.13 -1.26 -5.05 115.26 113.73 1wil n ASN 75 Ca -0.18 0.00 -0.51 0.00 1.68 0.00 0.00 54.58 55.57 1wil n ASN 75 Cb 0.52 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.71 1wil n ASN 75 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1wil n ILE 76 N -2.72 0.44 -3.61 2.41 -5.35 -1.26 -4.92 119.36 104.34 1wil n ILE 76 Ca 0.00 -0.11 -0.39 0.00 -0.27 0.00 0.00 62.75 61.98 1wil n ILE 76 Cb 0.47 -0.70 -0.08 0.00 -1.74 0.00 0.00 39.64 37.60 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 0.17 5.64 -0.02 7.28 2.47 -1.26 -5.05 114.94 124.17 1wil s ASN 77 Ca 0.80 -2.68 0.05 0.00 0.42 0.00 0.00 52.86 51.45 1wil s ASN 77 Cb -0.95 -1.95 -0.01 0.00 -1.45 0.00 0.00 41.25 36.89 1wil s ASN 77 CO 0.51 -0.46 -0.17 -0.22 -3.72 0.00 0.00 177.10 173.04 1wil s LEU 78 N 0.19 2.01 -0.05 3.21 2.96 -1.26 -5.03 118.68 120.71 1wil s LEU 78 Ca 0.16 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1wil s LEU 78 Cb -0.19 -0.89 -0.19 0.00 0.50 0.00 0.00 46.19 45.43 1wil s LEU 78 CO -0.04 0.20 3.29 0.18 -1.32 0.00 0.00 176.35 178.66 1wil n LEU 79 N 2.75 5.41 -4.35 -0.68 4.77 -1.26 -4.96 117.00 118.68 1wil n LEU 79 Ca -0.15 -3.17 -0.44 0.00 -0.03 0.00 0.00 56.01 52.21 1wil n LEU 79 Cb 0.54 -1.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.26 1wil n LEU 79 CO 0.24 1.60 -0.22 0.18 -1.33 0.00 0.00 177.39 177.86 1wil n LEU 80 N 2.15 -2.01 -3.37 2.23 4.77 -1.26 -4.56 117.00 114.95 1wil n LEU 80 Ca 0.38 0.95 -0.48 0.00 -0.03 0.00 0.00 56.01 56.83 1wil n LEU 80 Cb 0.82 -0.93 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1wil n LEU 80 CO 0.13 -3.61 0.76 0.35 -1.33 0.00 0.00 177.39 173.69 1wil n THR 81 N -0.57 0.00 -4.30 -5.08 -2.24 -1.26 -4.92 114.28 95.91 1wil n THR 81 Ca 0.14 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.64 1wil n THR 81 Cb 0.34 -0.30 -0.17 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.80 2.06 -0.29 -0.78 2.12 -1.26 -5.02 118.70 117.33 1wil s GLU 82 Ca 0.74 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.66 1wil s GLU 82 Cb -1.05 -1.82 0.46 0.00 0.26 0.00 0.00 34.13 31.98 1wil s GLU 82 CO 0.56 -0.12 1.18 -1.91 -0.54 0.00 0.00 175.26 174.43 1wil n GLU 83 N 4.38 3.43 -3.15 4.30 2.13 -1.26 -4.95 120.64 125.52 1wil n GLU 83 Ca -0.18 -4.12 0.04 0.00 0.66 0.00 0.00 57.16 53.56 1wil n GLU 83 Cb 0.51 -2.21 -0.01 0.00 0.27 0.00 0.00 31.44 30.00 1wil n GLU 83 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1wil s SER 84 N -3.61 -1.20 0.00 4.31 0.15 -1.26 -5.12 113.70 106.97 1wil s SER 84 Ca 0.49 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1wil s SER 84 Cb 0.40 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.66 1wil s SER 84 CO 0.02 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1wil n GLY 85 N 5.42 2.63 0.00 9.45 0.00 -1.26 -4.98 105.19 116.45 1wil n GLY 85 Ca -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.49 -3.51 1.61 -0.04 -1.26 -4.68 135.00 127.60 1wil n PRO 86 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1wil n PRO 86 Cb 0.00 -1.34 -0.07 0.00 -0.04 0.00 0.00 33.50 32.04 1wil n PRO 86 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wil s SER 87 N -1.85 6.42 -0.10 3.54 0.01 -1.26 -4.99 113.70 115.47 1wil s SER 87 Ca 0.16 0.48 -0.26 0.00 1.31 0.00 0.00 55.95 57.64 1wil s SER 87 Cb 0.07 -2.19 -0.26 0.00 0.21 0.00 0.00 66.02 63.85 1wil s SER 87 CO 0.12 0.06 0.87 -1.28 0.41 0.00 0.00 173.24 173.42 1wil h SER 88 N 6.89 0.14 0.00 2.44 0.87 -2.04 -3.52 113.55 118.33 1wil h SER 88 Ca -0.40 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.24 1wil h SER 88 Cb 1.16 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1wil h SER 88 CO 0.74 1.05 0.00 0.61 -0.53 0.00 0.00 176.83 178.70