#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 7.15 0.19 1.61 1.04 -1.26 -5.03 113.70 117.40 1wil s SER 2 Ca 0.00 -3.25 -0.31 0.00 0.48 0.00 0.00 55.95 52.87 1wil s SER 2 Cb 0.00 -2.26 -0.10 0.00 0.10 0.00 0.00 66.02 63.76 1wil s SER 2 CO 0.00 -0.46 1.58 -0.55 0.98 0.00 0.00 173.24 174.79 1wil s SER 3 N 1.87 6.54 0.00 7.02 0.15 -1.26 -4.46 113.70 123.56 1wil s SER 3 Ca 0.31 2.70 0.00 0.00 0.70 0.00 0.00 55.95 59.66 1wil s SER 3 Cb -0.08 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1wil s SER 3 CO -0.07 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.14 1wil n GLY 4 N 3.46 0.32 3.47 9.45 0.00 -1.26 -5.02 105.19 115.62 1wil n GLY 4 Ca 0.13 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.04 6.25 -0.35 1.61 0.01 -1.26 -4.93 113.70 114.99 1wil s SER 5 Ca 0.00 -0.72 -0.01 0.00 1.31 0.00 0.00 55.95 56.53 1wil s SER 5 Cb 0.00 -2.31 0.24 0.00 0.21 0.00 0.00 66.02 64.17 1wil s SER 5 CO 0.00 -0.88 2.01 -1.20 0.41 0.00 0.00 173.24 173.58 1wil n SER 6 N 6.27 6.53 -1.89 2.44 7.64 -1.26 -4.93 113.62 128.42 1wil n SER 6 Ca -0.05 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.69 1wil n SER 6 Cb 0.46 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1wil n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wil n GLY 7 N 0.20 -5.19 0.00 0.23 0.00 -1.26 -4.69 105.19 94.48 1wil n GLY 7 Ca 0.34 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 1.63 0.48 -2.24 1.61 -0.04 -1.26 -4.26 135.00 130.93 1wil n PRO 8 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1wil n PRO 8 Cb 0.00 -1.10 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 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 2.92 -0.82 0.54 3.52 -1.26 -4.27 118.95 117.58 1wil s ARG 9 Ca 0.04 -0.44 -0.11 0.00 -0.13 0.00 0.00 55.73 55.10 1wil s ARG 9 Cb 0.02 -5.02 0.01 0.00 -1.56 0.00 0.00 34.95 28.40 1wil s ARG 9 CO 0.03 -2.87 0.20 -0.85 -0.81 0.00 0.00 175.30 171.00 1wil n GLU 10 N 8.94 -0.76 -2.12 5.12 0.28 -1.26 -4.75 120.64 126.08 1wil n GLU 10 Ca 0.33 -0.07 -0.43 0.00 -0.16 0.00 0.00 57.16 56.84 1wil n GLU 10 Cb 0.49 -1.59 -0.03 0.00 1.43 0.00 0.00 31.44 31.75 1wil n GLU 10 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wil s PRO 11 N -6.04 3.84 0.25 3.44 0.04 -1.26 -4.93 135.00 130.33 1wil s PRO 11 Ca 0.15 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 1wil s PRO 11 Cb -0.08 -4.02 -0.10 0.00 0.04 0.00 0.00 34.50 30.33 1wil s PRO 11 CO 0.59 -1.24 0.09 1.33 0.04 0.00 0.00 177.00 177.80 1wil n VAL 12 N 6.31 0.53 -1.82 -0.36 0.24 -1.26 -4.80 118.33 117.17 1wil n VAL 12 Ca 0.18 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.34 61.78 1wil n VAL 12 Cb 0.45 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.86 1wil n VAL 12 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1wil s VAL 13 N -1.05 2.17 -0.37 3.34 -7.23 -1.26 -4.99 120.40 111.01 1wil s VAL 13 Ca 0.39 0.12 -0.07 0.00 -1.81 0.00 0.00 61.98 60.62 1wil s VAL 13 Cb -0.44 -3.06 0.06 0.00 0.56 0.00 0.00 36.38 33.49 1wil s VAL 13 CO 0.41 -0.01 0.15 0.54 -0.31 0.00 0.00 175.10 175.88 1wil s ASN 14 N -1.08 5.38 0.00 4.85 2.20 -1.26 -4.92 114.94 120.10 1wil s ASN 14 Ca 0.73 -1.34 0.22 0.00 -0.94 0.00 0.00 52.86 51.53 1wil s ASN 14 Cb -0.39 -1.89 0.54 0.00 -2.00 0.00 0.00 41.25 37.51 1wil s ASN 14 CO 0.45 -0.40 1.46 -0.67 -2.94 0.00 0.00 177.10 175.00 1wil n ASP 15 N 4.81 3.41 -3.98 3.54 2.03 -1.26 -4.65 116.55 120.45 1wil n ASP 15 Ca -0.11 -1.98 -0.32 0.00 0.52 0.00 0.00 54.79 52.91 1wil n ASP 15 Cb 0.44 -0.34 -0.09 0.00 -0.72 0.00 0.00 41.12 40.40 1wil n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wil n GLU 16 N 1.40 2.22 -3.70 -0.67 4.71 -1.26 -4.94 120.64 118.40 1wil n GLU 16 Ca 0.21 -4.50 -0.38 0.00 -0.01 0.00 0.00 57.16 52.48 1wil n GLU 16 Cb 0.57 -2.34 -0.12 0.00 -1.01 0.00 0.00 31.44 28.53 1wil n GLU 16 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1wil s MET 17 N -1.48 3.30 0.44 3.49 -1.94 -1.26 -3.62 119.30 118.23 1wil s MET 17 Ca 0.27 -0.73 -0.22 0.00 -1.71 0.00 0.00 55.69 53.29 1wil s MET 17 Cb -0.05 -3.47 -0.12 0.00 2.01 0.00 0.00 34.83 33.21 1wil s MET 17 CO -0.15 -0.39 0.63 0.00 -0.01 0.00 0.00 175.02 175.10 1wil n ASP 19 N 1.03 0.00 0.00 0.00 2.03 -0.98 0.11 116.55 118.74 1wil n ASP 19 Ca 0.11 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.57 1wil n ASP 19 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.98 0.00 -0.00 5.18 0.31 -1.26 -4.82 118.33 116.76 1wil n VAL 20 Ca 0.19 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.54 1wil n VAL 20 Cb 0.09 -0.24 -0.05 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.75 -5.01 -4.05 0.00 1.02 0.31 -4.78 120.64 106.37 1wil n GLU 22 Ca -0.02 0.55 -0.10 0.00 -0.02 0.00 0.00 57.16 57.58 1wil n GLU 22 Cb 0.20 -5.38 -0.08 0.00 -0.02 0.00 0.00 31.44 26.16 1wil n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wil s VAL 23 N -3.33 0.08 0.37 2.62 0.11 -1.26 -4.60 120.40 114.38 1wil s VAL 23 Ca 0.63 -1.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.08 1wil s VAL 23 Cb -0.32 -1.96 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 1wil s VAL 23 CO 0.85 -0.35 0.07 -1.66 -3.33 0.00 0.00 175.10 170.68 1wil s TRP 24 N -4.01 1.95 0.01 1.54 1.48 -1.24 -2.62 118.94 116.05 1wil s TRP 24 Ca 0.21 -1.02 -0.05 0.00 -1.06 0.00 0.00 56.10 54.18 1wil s TRP 24 Cb 0.05 -1.31 -0.01 0.00 -1.16 0.00 0.00 33.47 31.04 1wil s TRP 24 CO 0.01 -0.02 0.07 0.95 -4.06 0.00 0.00 176.95 173.90 1wil s THR 25 N -3.20 0.10 0.28 0.66 -4.23 -1.26 -5.04 115.64 102.95 1wil s THR 25 Ca 0.31 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1wil s THR 25 Cb 0.07 -0.45 0.27 0.00 1.34 0.00 0.00 72.50 73.73 1wil s THR 25 CO 0.14 -0.46 1.78 0.00 -0.54 0.00 0.00 174.62 175.54 1wil h ALA 26 N 4.30 1.47 -2.19 3.99 0.00 -2.02 -3.42 119.26 121.38 1wil h ALA 26 Ca -0.31 0.08 -0.43 0.00 0.00 0.00 0.00 54.91 54.24 1wil h ALA 26 Cb 1.20 -0.07 0.18 0.00 0.00 0.00 0.00 17.79 19.10 1wil h ALA 26 CO 0.42 -0.03 0.13 -1.21 0.00 0.00 0.00 179.25 178.56 1wil s GLU 27 N -5.92 -0.56 0.02 0.00 2.02 -1.26 -4.91 118.70 108.09 1wil s GLU 27 Ca -0.12 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.86 1wil s GLU 27 Cb 0.23 -1.64 -0.08 0.00 0.10 0.00 0.00 34.13 32.74 1wil s GLU 27 CO 0.79 -3.35 1.72 -1.54 0.02 0.00 0.00 175.26 172.91 1wil s SER 28 N -3.51 6.59 0.13 -0.19 1.04 -1.26 -4.97 113.70 111.53 1wil s SER 28 Ca 0.68 2.45 -0.24 0.00 0.48 0.00 0.00 55.95 59.32 1wil s SER 28 Cb -0.16 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.34 1wil s SER 28 CO 0.58 -0.94 0.73 -0.22 0.98 0.00 0.00 173.24 174.37 1wil s LEU 29 N 3.47 4.56 0.16 2.42 0.20 -1.26 -4.99 118.68 123.24 1wil s LEU 29 Ca 0.77 1.54 -0.02 0.00 0.69 0.00 0.00 54.13 57.11 1wil s LEU 29 Cb -0.38 -3.20 -0.05 0.00 -0.43 0.00 0.00 46.19 42.13 1wil s LEU 29 CO 0.33 0.20 0.36 -0.36 -0.29 0.00 0.00 176.35 176.59 1wil s PHE 30 N -0.99 3.48 -0.02 5.38 0.08 -1.26 -3.35 117.98 121.30 1wil s PHE 30 Ca 0.35 0.40 -0.25 0.00 0.12 0.00 0.00 56.93 57.54 1wil s PHE 30 Cb -0.22 -1.89 -0.19 0.00 -0.57 0.00 0.00 43.02 40.16 1wil s PHE 30 CO 0.24 0.43 1.18 -1.00 -0.10 0.00 0.00 175.22 175.97 1wil h PRO 31 N 2.41 -0.12 -4.88 0.24 0.13 -1.75 -2.57 132.00 125.45 1wil h PRO 31 Ca -0.47 0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.22 1wil h PRO 31 Cb 1.18 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1wil h PRO 31 CO 0.71 0.31 -0.52 0.00 -0.23 0.00 0.00 178.00 178.27 1wil n ARG 33 N -0.62 0.67 0.00 0.00 -4.01 -1.26 -4.62 116.66 106.83 1wil n ARG 33 Ca 0.04 0.16 0.00 0.00 -1.04 0.00 0.00 57.85 57.01 1wil n ARG 33 Cb 0.63 -1.64 0.00 0.00 -3.04 0.00 0.00 32.46 28.41 1wil n ARG 33 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1wil n VAL 34 N -3.02 0.00 -1.26 8.89 0.31 -1.26 -4.50 118.33 117.49 1wil n VAL 34 Ca -0.29 1.21 -0.45 0.00 -0.01 0.00 0.00 64.34 64.80 1wil n VAL 34 Cb 1.08 -2.07 -0.12 0.00 -0.91 0.00 0.00 33.84 31.82 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 6.40 -0.28 -2.74 0.00 -2.24 -1.26 -3.94 114.28 110.21 1wil n THR 36 Ca 0.55 1.44 -0.42 0.00 -2.27 0.00 0.00 64.05 63.35 1wil n THR 36 Cb -0.00 -2.16 -0.03 0.00 -2.10 0.00 0.00 70.33 66.04 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 -5.41 4.35 -0.03 -0.78 3.52 -1.26 -4.86 118.95 114.48 1wil s ARG 37 Ca -0.08 1.27 0.07 0.00 -0.13 0.00 0.00 55.73 56.86 1wil s ARG 37 Cb 0.20 -3.57 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1wil s ARG 37 CO 0.52 -0.39 -0.25 0.14 -0.81 0.00 0.00 175.30 174.51 1wil s VAL 38 N 2.31 2.13 -0.15 7.11 -7.23 -1.25 -4.88 120.40 118.43 1wil s VAL 38 Ca 0.44 -1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.42 1wil s VAL 38 Cb -0.17 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.07 1wil s VAL 38 CO 0.14 0.58 0.39 0.72 -0.31 0.00 0.00 175.10 176.62 1wil s PHE 39 N -0.52 -0.48 0.33 2.82 -0.12 -0.97 -2.32 117.98 116.72 1wil s PHE 39 Ca 0.07 1.12 -0.28 0.00 -0.05 0.00 0.00 56.93 57.79 1wil s PHE 39 Cb -0.11 0.18 -0.10 0.00 -0.63 0.00 0.00 43.02 42.37 1wil s PHE 39 CO 0.00 -0.25 1.20 -1.01 -0.05 0.00 0.00 175.22 175.10 1wil s HIS 40 N 0.62 3.24 0.25 3.49 3.76 -1.22 -2.06 115.29 123.37 1wil s HIS 40 Ca -0.03 1.55 -0.06 0.00 -0.15 0.00 0.00 55.06 56.37 1wil s HIS 40 Cb -0.05 -3.46 0.25 0.00 1.11 0.00 0.00 32.58 30.44 1wil s HIS 40 CO -0.04 -1.24 1.89 0.22 -0.85 0.00 0.00 174.74 174.71 1wil h ASP 41 N 3.33 1.11 0.06 1.40 3.58 -2.00 -2.99 116.42 120.90 1wil h ASP 41 Ca -0.48 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 56.89 1wil h ASP 41 Cb 1.22 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1wil h ASP 41 CO 0.65 0.86 -0.03 1.23 -2.88 0.00 0.00 179.24 179.08 1wil h GLY 42 N 1.27 -0.09 -0.57 -0.78 0.00 -2.00 -3.12 103.07 97.79 1wil h GLY 42 Ca 0.33 0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.83 1wil h GLY 42 CO -0.06 -0.03 -0.24 0.00 0.00 0.00 0.00 176.54 176.21 1wil h LEU 44 N -0.04 -0.79 -1.84 0.00 3.38 -1.50 -0.04 115.31 114.49 1wil h LEU 44 Ca 0.34 0.08 0.22 0.00 0.09 0.00 0.00 57.88 58.62 1wil h LEU 44 Cb 0.57 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1wil h LEU 44 CO -0.79 -0.27 0.70 0.08 0.09 0.00 0.00 178.44 178.25 1wil h ARG 45 N -0.36 0.00 0.86 1.13 0.11 -1.30 0.28 114.38 115.10 1wil h ARG 45 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1wil h ARG 45 Cb 0.37 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.46 1wil h ARG 45 CO -0.15 0.00 -0.42 -0.09 0.10 0.00 0.00 179.97 179.42 1wil h ARG 46 N 0.00 -1.12 0.01 0.08 1.12 0.61 -3.28 114.38 111.80 1wil h ARG 46 Ca 0.37 0.08 -0.19 0.00 -1.11 0.00 0.00 59.98 59.13 1wil h ARG 46 Cb 1.76 0.25 0.02 0.00 -0.01 0.00 0.00 29.97 31.99 1wil h ARG 46 CO -0.00 -0.74 -0.73 0.52 -3.11 0.00 0.00 179.97 175.90 1wil h MET 47 N -1.19 0.47 0.00 0.20 2.86 -0.88 -3.49 114.93 112.91 1wil h MET 47 Ca -0.12 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 56.99 1wil h MET 47 Cb 0.89 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1wil h MET 47 CO 0.20 1.17 0.00 0.41 1.06 0.00 0.00 176.91 179.75 1wil n GLY 48 N 1.12 0.87 0.11 8.32 0.00 0.88 -5.06 105.19 111.43 1wil n GLY 48 Ca -0.11 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 0.50 0.00 1.61 4.01 -1.11 -4.66 117.16 117.51 1wil n TYR 49 Ca 0.00 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1wil n TYR 49 Cb 0.00 -1.08 0.00 0.00 -0.31 0.00 0.00 39.34 37.95 1wil n TYR 49 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1wil n ILE 50 N -3.11 0.00 -3.58 -0.72 5.41 -1.26 -4.85 119.36 111.25 1wil n ILE 50 Ca -0.32 0.83 -0.21 0.00 1.00 0.00 0.00 62.75 64.04 1wil n ILE 50 Cb 1.07 -1.69 -0.06 0.00 -0.71 0.00 0.00 39.64 38.24 1wil n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wil n GLN 51 N -1.62 -0.93 0.00 0.38 6.02 -1.26 -4.61 117.38 115.36 1wil n GLN 51 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1wil n GLN 51 Cb 0.00 -2.42 0.00 0.00 1.02 0.00 0.00 30.24 28.84 1wil n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wil n GLY 52 N -1.70 0.17 3.48 1.08 0.00 -1.26 -5.10 105.19 101.86 1wil n GLY 52 Ca -0.13 0.13 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.13 -4.55 1.61 9.92 -1.26 -4.78 116.55 117.35 1wil n ASP 53 Ca 0.00 1.15 -0.38 0.00 -0.53 0.00 0.00 54.79 55.02 1wil n ASP 53 Cb 0.00 -0.98 -0.03 0.00 -0.64 0.00 0.00 41.12 39.46 1wil n ASP 53 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1wil s SER 54 N -0.29 5.84 -0.08 -2.24 1.04 -1.26 -4.97 113.70 111.73 1wil s SER 54 Ca 0.80 -0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.76 1wil s SER 54 Cb -1.09 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 62.45 1wil s SER 54 CO 0.56 -2.05 -0.05 0.00 0.98 0.00 0.00 173.24 172.68 1wil s ALA 55 N 7.11 3.06 0.42 5.32 0.00 -1.26 -5.12 121.76 131.29 1wil s ALA 55 Ca 0.51 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1wil s ALA 55 Cb -0.07 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1wil s ALA 55 CO 0.09 0.55 0.04 0.00 0.00 0.00 0.00 175.76 176.44 1wil s ALA 56 N -0.74 3.23 -0.43 0.00 0.00 -1.26 -5.07 121.76 117.49 1wil s ALA 56 Ca 0.11 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.35 1wil s ALA 56 Cb -0.11 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1wil s ALA 56 CO 0.02 -0.18 2.06 -1.21 0.00 0.00 0.00 175.76 176.45 1wil s GLU 57 N -3.80 2.76 -0.29 0.00 8.01 -1.26 -4.88 118.70 119.24 1wil s GLU 57 Ca 0.24 1.30 -0.23 0.00 0.01 0.00 0.00 54.97 56.30 1wil s GLU 57 Cb 0.06 -4.39 0.17 0.00 -4.31 0.00 0.00 34.13 25.66 1wil s GLU 57 CO 0.12 -2.54 1.26 0.54 0.01 0.00 0.00 175.26 174.66 1wil s VAL 58 N 9.22 0.00 -0.64 2.63 0.11 -1.26 -5.11 120.40 125.34 1wil s VAL 58 Ca 0.85 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.62 1wil s VAL 58 Cb -0.20 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.67 1wil s VAL 58 CO 0.28 0.00 1.30 -0.89 -3.33 0.00 0.00 175.10 172.46 1wil s THR 59 N 0.39 3.82 0.28 5.04 2.01 -1.26 -5.00 115.64 120.91 1wil s THR 59 Ca 0.02 0.63 0.07 0.00 0.31 0.00 0.00 61.69 62.72 1wil s THR 59 Cb -0.04 -4.72 -0.03 0.00 0.01 0.00 0.00 72.50 67.71 1wil s THR 59 CO -0.12 -1.51 0.26 -1.83 -0.69 0.00 0.00 174.62 170.73 1wil s GLU 60 N 5.47 2.95 -0.36 4.92 1.03 -1.26 -5.10 118.70 126.36 1wil s GLU 60 Ca 0.42 -1.08 -0.02 0.00 0.03 0.00 0.00 54.97 54.33 1wil s GLU 60 Cb -0.08 -2.60 0.08 0.00 -0.80 0.00 0.00 34.13 30.73 1wil s GLU 60 CO 0.21 0.30 0.11 -1.64 -1.33 0.00 0.00 175.26 172.91 1wil s MET 61 N -3.92 2.13 -0.09 -4.83 -1.94 -1.26 -4.97 119.30 104.42 1wil s MET 61 Ca 0.36 -1.60 -0.23 0.00 -1.71 0.00 0.00 55.69 52.50 1wil s MET 61 Cb -0.08 -3.40 -0.20 0.00 2.01 0.00 0.00 34.83 33.17 1wil s MET 61 CO 0.26 -0.88 0.82 0.00 -0.01 0.00 0.00 175.02 175.21 1wil h ALA 62 N 7.99 -0.06 -0.79 3.03 0.00 -1.93 -3.36 119.26 124.14 1wil h ALA 62 Ca -0.15 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1wil h ALA 62 Cb 1.05 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1wil h ALA 62 CO 0.62 -0.13 -0.47 1.58 0.00 0.00 0.00 179.25 180.85 1wil n HIS 63 N -4.76 -0.35 -0.56 0.00 -0.00 -1.26 -4.21 115.22 104.08 1wil n HIS 63 Ca -0.08 0.99 -0.18 0.00 0.46 0.00 0.00 57.72 58.91 1wil n HIS 63 Cb 0.33 -0.56 0.14 0.00 -0.12 0.00 0.00 29.99 29.78 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 -4.84 0.00 -1.82 3.57 -2.24 -1.26 -4.99 114.28 102.70 1wil n THR 64 Ca 0.02 -0.05 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 1wil n THR 64 Cb 0.21 -0.45 0.10 0.00 -2.10 0.00 0.00 70.33 68.09 1wil n THR 64 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wil n GLU 65 N -1.40 -0.44 -3.51 -0.78 0.28 -1.26 -4.21 120.64 109.31 1wil n GLU 65 Ca 0.05 -1.30 -0.26 0.00 -0.16 0.00 0.00 57.16 55.49 1wil n GLU 65 Cb 0.36 -0.66 -0.05 0.00 1.43 0.00 0.00 31.44 32.52 1wil n GLU 65 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1wil n THR 66 N -2.79 0.00 0.00 3.84 -2.24 -1.26 -4.80 114.28 107.03 1wil n THR 66 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1wil n THR 66 Cb 0.33 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.81 1.88 3.12 3.38 0.00 -1.26 -5.08 105.19 106.42 1wil n GLY 67 Ca 0.07 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 4.00 3.56 0.31 1.61 0.52 -1.26 -5.04 118.94 122.64 1wil s TRP 68 Ca 0.00 -2.41 -0.14 0.00 0.02 0.00 0.00 56.10 53.57 1wil s TRP 68 Cb 0.00 -3.25 -0.09 0.00 -1.15 0.00 0.00 33.47 28.99 1wil s TRP 68 CO 0.00 -0.96 0.71 -1.54 0.02 0.00 0.00 176.95 175.18 1wil s SER 69 N 1.76 6.75 0.39 2.95 1.04 -1.26 -4.80 113.70 120.53 1wil s SER 69 Ca 0.09 1.24 -0.19 0.00 0.48 0.00 0.00 55.95 57.57 1wil s SER 69 Cb -0.23 -2.36 -0.14 0.00 0.10 0.00 0.00 66.02 63.39 1wil s SER 69 CO -0.04 -0.19 0.04 0.00 0.98 0.00 0.00 173.24 174.03 1wil h HIS 71 N 0.23 0.50 -1.10 0.00 2.76 -2.00 0.38 115.15 115.93 1wil h HIS 71 Ca -0.35 0.02 -0.45 0.00 -2.20 0.00 0.00 60.37 57.39 1wil h HIS 71 Cb 1.33 -0.13 -0.41 0.00 1.55 0.00 0.00 27.41 29.75 1wil h HIS 71 CO 0.26 -0.18 -0.97 2.48 -1.30 0.00 0.00 177.93 178.22 1wil n TYR 72 N -4.65 2.19 -0.08 5.26 4.11 -1.26 -4.86 117.16 117.87 1wil n TYR 72 Ca 0.36 -2.77 -0.17 0.00 -0.00 0.00 0.00 57.90 55.32 1wil n TYR 72 Cb 1.41 -0.25 -0.12 0.00 -0.00 0.00 0.00 39.34 40.38 1wil n TYR 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1wil h ASP 74 N -1.00 -0.17 -3.02 0.00 3.58 -1.89 -3.41 116.42 110.51 1wil h ASP 74 Ca -0.14 -0.36 -0.74 0.00 0.42 0.00 0.00 57.03 56.21 1wil h ASP 74 Cb 1.09 0.04 -0.22 0.00 1.72 0.00 0.00 39.33 41.96 1wil h ASP 74 CO -0.09 0.41 -0.09 0.20 -2.88 0.00 0.00 179.24 176.79 1wil s ASN 75 N -5.51 6.19 -0.09 2.28 0.01 -1.26 -5.05 114.94 111.51 1wil s ASN 75 Ca -0.12 -1.67 -0.15 0.00 -0.71 0.00 0.00 52.86 50.21 1wil s ASN 75 Cb 0.00 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 1wil s ASN 75 CO 0.44 -0.95 0.38 0.27 -1.51 0.00 0.00 177.10 175.73 1wil s ILE 76 N 1.99 5.19 -0.30 0.60 -4.36 -1.26 -4.70 121.20 118.37 1wil s ILE 76 Ca 0.06 0.75 -0.16 0.00 -0.26 0.00 0.00 60.65 61.04 1wil s ILE 76 Cb -0.28 -3.70 0.17 0.00 1.25 0.00 0.00 42.46 39.90 1wil s ILE 76 CO 0.04 0.44 1.08 0.21 0.24 0.00 0.00 174.94 176.95 1wil s ASN 77 N -0.06 -0.41 -0.01 4.36 3.84 -1.26 -5.16 114.94 116.24 1wil s ASN 77 Ca 0.22 0.58 0.02 0.00 0.21 0.00 0.00 52.86 53.89 1wil s ASN 77 Cb -0.15 1.42 -0.00 0.00 -0.55 0.00 0.00 41.25 41.97 1wil s ASN 77 CO 0.09 -0.08 -0.07 -1.48 -2.79 0.00 0.00 177.10 172.77 1wil s LEU 78 N 2.13 1.99 0.16 3.21 2.34 -1.26 -5.16 118.68 122.09 1wil s LEU 78 Ca -0.03 -0.12 0.03 0.00 0.06 0.00 0.00 54.13 54.07 1wil s LEU 78 Cb -0.04 -0.35 -0.05 0.00 -0.56 0.00 0.00 46.19 45.19 1wil s LEU 78 CO -0.16 0.08 -0.06 -0.22 -1.06 0.00 0.00 176.35 174.92 1wil s LEU 79 N -0.12 2.40 -0.02 1.48 2.96 -1.26 -5.09 118.68 119.02 1wil s LEU 79 Ca 0.02 -1.07 -0.28 0.00 -0.22 0.00 0.00 54.13 52.58 1wil s LEU 79 Cb -0.03 -0.23 -0.14 0.00 0.50 0.00 0.00 46.19 46.29 1wil s LEU 79 CO -0.00 -0.43 0.77 0.18 -1.32 0.00 0.00 176.35 175.55 1wil n LEU 80 N -0.21 0.05 -2.84 -0.68 4.32 -1.26 -4.43 117.00 111.96 1wil n LEU 80 Ca -0.09 0.81 -0.40 0.00 -0.02 0.00 0.00 56.01 56.31 1wil n LEU 80 Cb 0.62 -0.64 -0.07 0.00 -1.62 0.00 0.00 43.42 41.70 1wil n LEU 80 CO 0.33 -1.29 0.97 0.35 -1.22 0.00 0.00 177.39 176.53 1wil n THR 81 N 1.17 0.00 -0.01 -5.08 -2.24 -1.26 -4.80 114.28 102.06 1wil n THR 81 Ca 0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.80 1wil n THR 81 Cb 0.05 -0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 67.82 1wil n THR 81 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1wil h GLU 82 N 4.82 0.08 -5.82 -0.78 4.11 -1.95 -3.48 114.58 111.56 1wil h GLU 82 Ca -0.14 -0.14 -0.50 0.00 0.07 0.00 0.00 59.36 58.64 1wil h GLU 82 Cb 0.90 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.04 1wil h GLU 82 CO 0.67 0.73 -0.76 -2.00 0.07 0.00 0.00 179.01 177.72 1wil s GLU 83 N -2.59 1.35 -0.50 1.06 2.56 -1.26 -5.06 118.70 114.26 1wil s GLU 83 Ca -0.09 -1.53 -0.36 0.00 0.00 0.00 0.00 54.97 52.99 1wil s GLU 83 Cb 0.08 -1.31 -0.14 0.00 2.00 0.00 0.00 34.13 34.75 1wil s GLU 83 CO 0.81 0.24 2.28 0.45 -0.56 0.00 0.00 175.26 178.49 1wil n SER 84 N -0.11 1.52 0.00 -1.70 2.88 -1.26 -4.56 113.62 110.38 1wil n SER 84 Ca -0.10 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1wil n SER 84 Cb 0.59 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1wil n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wil n GLY 85 N 6.72 -1.79 3.69 0.46 0.00 -1.26 -5.14 105.19 107.87 1wil n GLY 85 Ca 0.48 0.65 -0.42 0.00 0.00 0.00 0.00 46.02 46.73 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 4.28 -0.44 1.61 0.04 -1.26 -4.99 135.00 134.24 1wil s PRO 86 Ca 0.00 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1wil s PRO 86 Cb 0.00 -3.53 0.12 0.00 0.04 0.00 0.00 34.50 31.13 1wil s PRO 86 CO 0.00 -0.57 0.18 -1.12 0.04 0.00 0.00 177.00 175.53 1wil s SER 87 N 1.84 4.31 -0.34 6.66 0.01 -1.26 -5.08 113.70 119.85 1wil s SER 87 Ca 0.65 -2.59 -0.11 0.00 1.31 0.00 0.00 55.95 55.21 1wil s SER 87 Cb -0.33 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1wil s SER 87 CO 0.28 -0.30 0.19 -0.55 0.41 0.00 0.00 173.24 173.27 1wil s SER 88 N 0.32 5.72 0.00 2.44 0.15 -1.26 -5.15 113.70 115.92 1wil s SER 88 Ca 0.15 -0.63 0.19 0.00 0.70 0.00 0.00 55.95 56.35 1wil s SER 88 Cb -0.23 -2.04 1.11 0.00 -1.71 0.00 0.00 66.02 63.15 1wil s SER 88 CO -0.04 -0.26 1.51 0.61 1.20 0.00 0.00 173.24 176.26