#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfe n SER 2 N 0.00 -1.79 -3.69 1.61 7.64 -1.26 -4.86 113.62 111.28 1wfe n SER 2 Ca 0.00 -1.17 -0.03 0.00 1.01 0.00 0.00 58.87 58.68 1wfe n SER 2 Cb 0.00 -2.02 -0.01 0.00 -1.01 0.00 0.00 64.21 61.18 1wfe n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfe s SER 3 N -3.48 -0.14 0.00 6.43 1.04 -1.26 -5.18 113.70 111.11 1wfe s SER 3 Ca 0.65 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1wfe s SER 3 Cb -0.37 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1wfe s SER 3 CO 0.99 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1wfe n GLY 4 N -0.50 3.44 3.64 7.32 0.00 -1.26 -5.14 105.19 112.68 1wfe n GLY 4 Ca -0.06 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.10 1wfe n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfe s SER 5 N 0.00 -0.48 -0.14 1.61 1.04 -1.26 -5.18 113.70 109.29 1wfe s SER 5 Ca 0.00 0.77 -0.30 0.00 0.48 0.00 0.00 55.95 56.90 1wfe s SER 5 Cb 0.00 1.19 0.12 0.00 0.10 0.00 0.00 66.02 67.43 1wfe s SER 5 CO 0.00 -0.12 0.96 -0.55 0.98 0.00 0.00 173.24 174.50 1wfe s SER 6 N 1.30 -0.40 0.00 7.02 0.15 -1.26 -5.15 113.70 115.36 1wfe s SER 6 Ca -0.09 0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1wfe s SER 6 Cb -0.04 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1wfe s SER 6 CO -0.14 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1wfe n GLY 7 N 0.72 -0.01 3.51 9.45 0.00 -1.26 -5.18 105.19 112.42 1wfe n GLY 7 Ca -0.11 0.71 -0.26 0.00 0.00 0.00 0.00 46.02 46.36 1wfe n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfe s SER 9 N -2.88 -0.80 0.44 0.00 1.04 -1.26 -5.18 113.70 105.06 1wfe s SER 9 Ca 0.24 0.52 0.06 0.00 0.48 0.00 0.00 55.95 57.26 1wfe s SER 9 Cb -0.08 1.68 0.06 0.00 0.10 0.00 0.00 66.02 67.78 1wfe s SER 9 CO 0.13 -0.15 0.49 -1.84 0.98 0.00 0.00 173.24 172.86 1wfe n GLU 10 N 5.44 0.76 -3.62 4.02 0.28 -1.26 -5.15 120.64 121.12 1wfe n GLU 10 Ca -0.05 -2.51 -0.05 0.00 -0.16 0.00 0.00 57.16 54.39 1wfe n GLU 10 Cb 0.53 0.01 -0.04 0.00 1.43 0.00 0.00 31.44 33.36 1wfe n GLU 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wfe s VAL 11 N -1.91 0.00 0.06 3.84 0.11 -1.26 -5.14 120.40 116.10 1wfe s VAL 11 Ca 0.38 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.12 1wfe s VAL 11 Cb -0.03 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1wfe s VAL 11 CO 0.24 0.00 1.16 0.54 -3.33 0.00 0.00 175.10 173.71 1wfe s ASN 12 N -1.18 7.14 0.10 3.54 2.20 -1.26 -4.95 114.94 120.53 1wfe s ASN 12 Ca 0.06 1.97 -0.36 0.00 -0.94 0.00 0.00 52.86 53.59 1wfe s ASN 12 Cb -0.01 -2.58 -0.17 0.00 -2.00 0.00 0.00 41.25 36.49 1wfe s ASN 12 CO -0.05 -0.42 1.23 0.55 -2.94 0.00 0.00 177.10 175.47 1wfe n VAL 13 N 3.81 0.31 -1.63 3.54 3.14 -1.26 -4.77 118.33 121.48 1wfe n VAL 13 Ca 0.08 -0.08 -0.48 0.00 -2.96 0.00 0.00 64.34 60.90 1wfe n VAL 13 Cb 0.47 -0.69 -0.05 0.00 -1.06 0.00 0.00 33.84 32.51 1wfe n VAL 13 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1wfe n VAL 14 N 2.01 0.48 -4.09 1.55 0.24 -1.26 -4.94 118.33 112.32 1wfe n VAL 14 Ca 0.18 -0.19 -0.10 0.00 -2.04 0.00 0.00 64.34 62.19 1wfe n VAL 14 Cb 0.19 -1.94 -0.08 0.00 -1.47 0.00 0.00 33.84 30.53 1wfe n VAL 14 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1wfe s LYS 15 N 4.85 1.15 -0.28 7.34 -2.85 -1.26 -5.17 119.74 123.51 1wfe s LYS 15 Ca 0.97 -1.39 -0.25 0.00 -1.00 0.00 0.00 55.97 54.30 1wfe s LYS 15 Cb -0.67 0.32 0.14 0.00 -2.06 0.00 0.00 37.83 35.56 1wfe s LYS 15 CO 0.49 -0.40 1.15 -1.83 0.10 0.00 0.00 175.35 174.86 1wfe s GLU 16 N -4.05 0.37 -0.22 1.78 -1.05 -1.26 -5.15 118.70 109.12 1wfe s GLU 16 Ca 0.26 0.43 0.01 0.00 -0.15 0.00 0.00 54.97 55.53 1wfe s GLU 16 Cb 0.05 0.18 0.05 0.00 -0.44 0.00 0.00 34.13 33.97 1wfe s GLU 16 CO 0.05 -0.05 -0.10 1.03 0.95 0.00 0.00 175.26 177.14 1wfe s ARG 17 N 0.12 2.08 -0.75 -4.83 1.81 -1.26 -5.07 118.95 111.05 1wfe s ARG 17 Ca 0.04 -1.00 -0.26 0.00 -1.72 0.00 0.00 55.73 52.80 1wfe s ARG 17 Cb -0.05 -2.58 -0.03 0.00 -0.45 0.00 0.00 34.95 31.84 1wfe s ARG 17 CO -0.09 -0.48 1.90 -1.25 -0.68 0.00 0.00 175.30 174.71 1wfe s PRO 18 N 1.31 2.59 -0.13 3.54 0.04 -1.26 -4.96 135.00 136.14 1wfe s PRO 18 Ca -0.04 0.19 -0.02 0.00 0.04 0.00 0.00 61.00 61.18 1wfe s PRO 18 Cb -0.17 -4.70 -0.02 0.00 0.04 0.00 0.00 34.50 29.64 1wfe s PRO 18 CO -0.07 -3.04 -0.07 0.15 0.04 0.00 0.00 177.00 174.01 1wfe s LYS 19 N 7.03 3.42 -0.13 4.56 -0.14 -1.26 -5.02 119.74 128.20 1wfe s LYS 19 Ca 0.69 -0.57 -0.29 0.00 -1.36 0.00 0.00 55.97 54.44 1wfe s LYS 19 Cb -0.10 -2.78 -0.26 0.00 -1.68 0.00 0.00 37.83 33.02 1wfe s LYS 19 CO 0.11 0.32 0.81 1.79 -0.76 0.00 0.00 175.35 177.62 1wfe h THR 20 N 5.04 1.76 -6.56 2.17 1.35 -2.04 -3.47 112.91 111.16 1wfe h THR 20 Ca -0.33 -2.26 -0.53 0.00 -0.55 0.00 0.00 66.41 62.75 1wfe h THR 20 Cb 1.19 3.29 -0.30 0.00 -1.73 0.00 0.00 68.15 70.61 1wfe h THR 20 CO 0.59 0.59 -0.77 -0.90 -0.25 0.00 0.00 175.52 174.78 1wfe n ASP 21 N -4.62 -1.15 -0.05 5.36 5.75 -1.26 -4.78 116.55 115.80 1wfe n ASP 21 Ca -0.10 -1.05 -0.22 0.00 -0.01 0.00 0.00 54.79 53.41 1wfe n ASP 21 Cb 0.47 -1.34 -0.13 0.00 -1.03 0.00 0.00 41.12 39.09 1wfe n ASP 21 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1wfe n GLU 22 N -3.57 0.66 -1.82 0.11 -0.00 -1.26 -4.94 120.64 109.83 1wfe n GLU 22 Ca 0.04 0.40 -0.36 0.00 -0.00 0.00 0.00 57.16 57.24 1wfe n GLU 22 Cb 0.41 -1.72 0.06 0.00 -0.00 0.00 0.00 31.44 30.19 1wfe n GLU 22 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 1wfe s HIS 23 N -2.47 2.21 0.31 -1.84 -3.43 -1.26 -5.04 115.29 103.77 1wfe s HIS 23 Ca -0.26 1.51 0.03 0.00 -0.80 0.00 0.00 55.06 55.54 1wfe s HIS 23 Cb 0.07 -3.57 -0.06 0.00 -1.43 0.00 0.00 32.58 27.59 1wfe s HIS 23 CO 0.68 -2.57 0.08 0.15 -2.00 0.00 0.00 174.74 171.07 1wfe s LYS 24 N -3.43 1.60 -0.02 -0.38 1.02 -1.24 -5.15 119.74 112.15 1wfe s LYS 24 Ca 0.79 -1.89 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1wfe s LYS 24 Cb -0.33 -0.65 0.02 0.00 -0.52 0.00 0.00 37.83 36.35 1wfe s LYS 24 CO 0.37 -0.24 0.01 -1.54 -0.92 0.00 0.00 175.35 173.03 1wfe s SER 25 N -3.44 0.26 0.06 2.83 1.04 -1.26 -3.87 113.70 109.32 1wfe s SER 25 Ca 0.36 -0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.87 1wfe s SER 25 Cb 0.08 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1wfe s SER 25 CO 0.15 -0.09 -0.20 -0.31 0.98 0.00 0.00 173.24 173.77 1wfe s TYR 26 N 0.83 2.49 -0.15 5.02 1.51 -1.09 -4.93 117.35 121.03 1wfe s TYR 26 Ca -0.08 -0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 55.52 1wfe s TYR 26 Cb -0.11 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1wfe s TYR 26 CO -0.02 0.26 0.40 -1.54 -1.11 0.00 0.00 175.55 173.54 1wfe s SER 27 N -1.57 6.56 0.28 2.29 1.04 -1.26 -3.23 113.70 117.80 1wfe s SER 27 Ca 0.15 0.66 -0.29 0.00 0.48 0.00 0.00 55.95 56.94 1wfe s SER 27 Cb -0.10 -2.24 -0.14 0.00 0.10 0.00 0.00 66.02 63.64 1wfe s SER 27 CO 0.06 0.01 1.17 0.00 0.98 0.00 0.00 173.24 175.46 1wfe n SER 29 N 1.38 3.61 -4.87 0.00 7.64 -0.28 -4.91 113.62 116.19 1wfe n SER 29 Ca 0.09 -3.23 -0.32 0.00 1.01 0.00 0.00 58.87 56.42 1wfe n SER 29 Cb 0.32 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 62.71 1wfe n SER 29 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1wfe s PHE 30 N -2.54 3.43 -0.73 1.43 5.36 -1.26 -4.23 117.98 119.44 1wfe s PHE 30 Ca 0.44 0.25 -0.26 0.00 -0.96 0.00 0.00 56.93 56.39 1wfe s PHE 30 Cb 0.37 -1.76 0.01 0.00 -0.34 0.00 0.00 43.02 41.31 1wfe s PHE 30 CO 0.09 0.59 1.48 0.21 -1.46 0.00 0.00 175.22 176.13 1wfe s LYS 31 N -2.15 3.04 0.00 10.12 2.20 -1.26 -3.30 119.74 128.38 1wfe s LYS 31 Ca 0.29 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1wfe s LYS 31 Cb -0.13 -4.36 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 1wfe s LYS 31 CO 0.21 -2.37 0.00 0.41 -0.36 0.00 0.00 175.35 173.25 1wfe n GLY 32 N 5.64 1.14 3.10 5.54 0.00 -1.26 -5.13 105.19 114.22 1wfe n GLY 32 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1wfe n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfe n THR 34 N 4.49 2.25 -3.87 0.00 -2.24 -1.26 -4.62 114.28 109.04 1wfe n THR 34 Ca -0.21 -3.68 -0.33 0.00 -2.27 0.00 0.00 64.05 57.57 1wfe n THR 34 Cb 0.53 -0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 1wfe n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wfe s ASP 35 N -3.42 6.40 0.30 3.42 1.01 -1.26 -4.96 116.67 118.16 1wfe s ASP 35 Ca 0.44 0.38 0.05 0.00 0.71 0.00 0.00 52.55 54.13 1wfe s ASP 35 Cb 0.39 -2.01 -0.06 0.00 1.01 0.00 0.00 42.92 42.25 1wfe s ASP 35 CO -0.01 0.21 0.00 0.68 0.21 0.00 0.00 175.17 176.26 1wfe s VAL 36 N -1.41 1.37 0.06 -1.27 -7.23 -1.26 -2.30 120.40 108.37 1wfe s VAL 36 Ca 0.31 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.35 1wfe s VAL 36 Cb -0.13 -2.61 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 1wfe s VAL 36 CO 0.22 -0.16 0.17 -1.61 -0.31 0.00 0.00 175.10 173.41 1wfe s GLU 37 N -3.82 0.75 0.26 4.82 0.41 -1.20 -4.94 118.70 114.99 1wfe s GLU 37 Ca 0.33 -0.82 -0.01 0.00 -0.41 0.00 0.00 54.97 54.06 1wfe s GLU 37 Cb 0.07 0.30 0.56 0.00 -1.78 0.00 0.00 34.13 33.28 1wfe s GLU 37 CO 0.13 -0.22 1.71 -0.07 -0.49 0.00 0.00 175.26 176.32 1wfe h LEU 38 N 3.14 0.23 0.00 1.80 3.38 -1.94 -2.90 115.31 119.01 1wfe h LEU 38 Ca -0.33 0.14 -0.50 0.00 0.09 0.00 0.00 57.88 57.28 1wfe h LEU 38 Cb 1.19 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1wfe h LEU 38 CO 0.53 0.03 -0.22 1.33 0.09 0.00 0.00 178.44 180.20 1wfe n VAL 39 N -5.06 0.00 -4.06 1.22 0.24 -1.26 -3.62 118.33 105.79 1wfe n VAL 39 Ca 0.17 -1.89 -0.32 0.00 -2.04 0.00 0.00 64.34 60.26 1wfe n VAL 39 Cb 0.51 -0.13 -0.15 0.00 -1.47 0.00 0.00 33.84 32.60 1wfe n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfe s ALA 40 N -2.68 2.51 -0.99 2.33 0.00 -1.26 -4.40 121.76 117.26 1wfe s ALA 40 Ca 0.30 -1.71 -0.23 0.00 0.00 0.00 0.00 51.96 50.32 1wfe s ALA 40 Cb -0.02 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.57 1wfe s ALA 40 CO 0.19 -1.15 1.55 0.08 0.00 0.00 0.00 175.76 176.43 1wfe s VAL 41 N 1.13 3.82 0.11 0.00 1.01 -1.20 -4.88 120.40 120.40 1wfe s VAL 41 Ca -0.08 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1wfe s VAL 41 Cb -0.20 -4.84 -0.06 0.00 0.00 0.00 0.00 36.38 31.28 1wfe s VAL 41 CO -0.06 -1.74 1.00 -0.63 0.00 0.00 0.00 175.10 173.68 1wfe s ILE 42 N 6.03 4.39 -0.14 2.22 -1.09 -1.25 -0.55 121.20 130.81 1wfe s ILE 42 Ca 0.51 1.95 -0.24 0.00 -2.23 0.00 0.00 60.65 60.64 1wfe s ILE 42 Cb -0.01 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1wfe s ILE 42 CO -0.08 0.28 0.75 0.00 -1.23 0.00 0.00 174.94 174.67 1wfe n PRO 44 N 4.70 0.48 -0.01 0.00 -0.04 -1.26 0.80 135.00 139.68 1wfe n PRO 44 Ca 0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.44 1wfe n PRO 44 Cb 0.50 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 1wfe n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wfe n TYR 45 N -0.69 0.00 1.13 0.54 4.02 -1.26 -4.75 117.16 116.16 1wfe n TYR 45 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.05 1wfe n TYR 45 Cb 0.02 -0.19 0.20 0.00 -0.02 0.00 0.00 39.34 39.34 1wfe n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfe n GLU 47 N -0.33 -5.43 -4.28 0.00 -0.58 0.24 -4.95 120.64 105.30 1wfe n GLU 47 Ca 0.11 0.67 -0.22 0.00 -0.42 0.00 0.00 57.16 57.30 1wfe n GLU 47 Cb 0.41 -5.37 -0.12 0.00 -0.57 0.00 0.00 31.44 25.78 1wfe n GLU 47 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1wfe s LYS 48 N -5.95 1.03 -0.04 3.49 1.02 -1.24 -4.77 119.74 113.28 1wfe s LYS 48 Ca 0.10 -1.04 -0.22 0.00 0.02 0.00 0.00 55.97 54.83 1wfe s LYS 48 Cb -0.05 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.04 1wfe s LYS 48 CO 0.80 0.28 0.64 0.54 -0.92 0.00 0.00 175.35 176.68 1wfe s ASN 49 N -1.73 6.96 0.32 2.83 4.22 -1.26 0.18 114.94 126.47 1wfe s ASN 49 Ca 0.03 1.15 0.04 0.00 -2.14 0.00 0.00 52.86 51.95 1wfe s ASN 49 Cb -0.10 -2.38 -0.03 0.00 1.28 0.00 0.00 41.25 40.02 1wfe s ASN 49 CO 0.03 -0.00 0.18 -0.36 -2.04 0.00 0.00 177.10 174.91 1wfe s PHE 50 N 0.31 1.64 0.24 1.54 0.40 0.29 -1.12 117.98 121.28 1wfe s PHE 50 Ca 0.34 -1.44 -0.06 0.00 -0.60 0.00 0.00 56.93 55.17 1wfe s PHE 50 Cb -0.18 -0.85 -0.06 0.00 0.51 0.00 0.00 43.02 42.45 1wfe s PHE 50 CO 0.17 -0.59 0.51 0.00 0.70 0.00 0.00 175.22 176.02 1wfe h LEU 52 N 2.17 0.44 -1.22 0.00 -0.00 -1.97 1.45 115.31 116.18 1wfe h LEU 52 Ca -0.47 0.15 -0.08 0.00 -0.00 0.00 0.00 57.88 57.48 1wfe h LEU 52 Cb 1.18 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 1wfe h LEU 52 CO 0.68 -0.08 -0.31 0.03 -0.00 0.00 0.00 178.44 178.77 1wfe h ARG 53 N 0.29 0.14 -0.35 1.13 2.47 -2.02 -3.08 114.38 112.97 1wfe h ARG 53 Ca 0.72 -0.05 -0.26 0.00 -1.26 0.00 0.00 59.98 59.12 1wfe h ARG 53 Cb 1.84 -0.01 -0.23 0.00 -1.65 0.00 0.00 29.97 29.92 1wfe h ARG 53 CO -0.47 0.44 -0.71 0.72 0.56 0.00 0.00 179.97 180.51 1wfe n HIS 54 N -4.14 1.26 0.05 3.04 8.25 0.41 -4.75 115.22 119.35 1wfe n HIS 54 Ca -0.01 -1.79 -0.15 0.00 -0.26 0.00 0.00 57.72 55.51 1wfe n HIS 54 Cb 0.38 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 1wfe n HIS 54 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wfe h ARG 55 N 1.60 0.51 -7.08 -0.41 0.11 0.95 -3.38 114.38 106.68 1wfe h ARG 55 Ca 0.14 -0.51 -0.49 0.00 0.10 0.00 0.00 59.98 59.21 1wfe h ARG 55 Cb 1.30 0.14 0.21 0.00 1.11 0.00 0.00 29.97 32.73 1wfe h ARG 55 CO 0.34 1.15 -0.12 0.72 0.10 0.00 0.00 179.97 182.16 1wfe n HIS 56 N -3.80 -0.40 0.00 4.08 8.25 -1.26 -4.90 115.22 117.19 1wfe n HIS 56 Ca -0.07 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1wfe n HIS 56 Cb 0.81 -1.83 0.00 0.00 1.12 0.00 0.00 29.99 30.09 1wfe n HIS 56 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wfe n GLN 57 N -3.82 0.00 -0.32 -0.41 6.02 -1.26 -2.95 117.38 114.64 1wfe n GLN 57 Ca 0.07 0.31 0.19 0.00 -0.01 0.00 0.00 57.00 57.56 1wfe n GLN 57 Cb 0.54 -1.10 0.44 0.00 1.02 0.00 0.00 30.24 31.13 1wfe n GLN 57 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1wfe h SER 58 N 0.00 0.57 -0.60 1.08 0.02 -1.93 0.04 113.55 112.73 1wfe h SER 58 Ca 0.00 0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.16 1wfe h SER 58 Cb 0.00 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.43 1wfe h SER 58 CO 0.00 0.15 0.01 0.44 -1.14 0.00 0.00 176.83 176.29 1wfe h ASP 59 N 0.53 -0.25 -0.47 3.07 5.19 -1.91 0.26 116.42 122.84 1wfe h ASP 59 Ca 0.58 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 57.11 1wfe h ASP 59 Cb 1.24 0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.99 1wfe h ASP 59 CO -0.33 -0.10 0.03 0.00 -3.12 0.00 0.00 179.24 175.71 1wfe n HIS 60 N -5.27 1.67 -3.75 4.55 1.44 -0.11 -4.92 115.22 108.84 1wfe n HIS 60 Ca 0.08 -0.62 -0.26 0.00 -2.01 0.00 0.00 57.72 54.91 1wfe n HIS 60 Cb 0.34 -0.45 0.02 0.00 0.12 0.00 0.00 29.99 30.03 1wfe n HIS 60 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1wfe n ASP 61 N 0.42 -2.76 -4.63 4.39 2.03 0.92 -4.79 116.55 112.13 1wfe n ASP 61 Ca 0.23 -0.95 -0.54 0.00 0.52 0.00 0.00 54.79 54.05 1wfe n ASP 61 Cb 1.02 -3.55 -0.06 0.00 -0.72 0.00 0.00 41.12 37.80 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfe h GLU 63 N 5.30 0.00 -0.43 0.00 9.09 -1.90 -3.15 114.58 123.48 1wfe h GLU 63 Ca -0.47 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 58.83 1wfe h GLU 63 Cb 1.34 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.42 1wfe h GLU 63 CO 0.83 0.25 -0.13 0.87 0.05 0.00 0.00 179.01 180.88 1wfe h LYS 64 N 0.00 0.85 -6.05 1.06 1.79 -1.91 -3.45 116.57 108.87 1wfe h LYS 64 Ca -0.00 -0.34 -0.55 0.00 -2.18 0.00 0.00 60.65 57.58 1wfe h LYS 64 Cb 0.89 -0.04 0.24 0.00 -1.58 0.00 0.00 32.23 31.73 1wfe h LYS 64 CO 0.03 0.98 -1.83 1.28 -1.08 0.00 0.00 179.45 178.83 1wfe n LEU 65 N -4.26 -5.59 -1.85 2.94 4.77 -1.19 -4.69 117.00 107.12 1wfe n LEU 65 Ca -0.01 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.08 1wfe n LEU 65 Cb 0.39 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 1wfe n LEU 65 CO 0.44 -5.76 1.35 1.21 -1.33 0.00 0.00 177.39 173.29 1wfe n GLU 66 N 2.25 1.56 -3.56 3.23 2.13 -1.26 -4.67 120.64 120.33 1wfe n GLU 66 Ca -0.01 -0.62 -0.25 0.00 0.66 0.00 0.00 57.16 56.94 1wfe n GLU 66 Cb 0.57 -1.64 -0.15 0.00 0.27 0.00 0.00 31.44 30.48 1wfe n GLU 66 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wfe s VAL 67 N 0.76 -0.15 0.14 6.31 1.01 -1.26 -5.13 120.40 122.07 1wfe s VAL 67 Ca 0.41 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1wfe s VAL 67 Cb 0.20 -0.70 -0.07 0.00 0.00 0.00 0.00 36.38 35.81 1wfe s VAL 67 CO 0.00 -0.37 1.04 0.00 0.00 0.00 0.00 175.10 175.76 1wfe s ALA 68 N 2.18 3.31 -0.02 5.51 0.00 -1.26 -4.90 121.76 126.57 1wfe s ALA 68 Ca 0.05 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 1wfe s ALA 68 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1wfe s ALA 68 CO -0.17 -0.13 0.11 0.15 0.00 0.00 0.00 175.76 175.72 1wfe s LYS 69 N -0.08 0.26 0.00 0.00 -0.14 -1.26 -5.02 119.74 113.50 1wfe s LYS 69 Ca 0.49 -0.09 0.14 0.00 -1.36 0.00 0.00 55.97 55.14 1wfe s LYS 69 Cb -0.26 0.11 0.83 0.00 -1.68 0.00 0.00 37.83 36.83 1wfe s LYS 69 CO 0.32 -0.05 1.25 -0.35 -0.76 0.00 0.00 175.35 175.76 1wfe n PRO 70 N 2.38 0.49 -1.51 -1.68 -0.04 -1.26 -4.81 135.00 128.58 1wfe n PRO 70 Ca -0.17 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.96 1wfe n PRO 70 Cb 0.58 -1.44 0.08 0.00 -0.04 0.00 0.00 33.50 32.67 1wfe n PRO 70 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wfe s ARG 71 N -2.00 2.38 0.44 0.54 1.81 -1.26 -5.04 118.95 115.82 1wfe s ARG 71 Ca 0.21 1.49 0.05 0.00 -1.72 0.00 0.00 55.73 55.76 1wfe s ARG 71 Cb 0.10 -1.89 0.01 0.00 -0.45 0.00 0.00 34.95 32.72 1wfe s ARG 71 CO 0.16 -1.59 0.62 0.00 -0.68 0.00 0.00 175.30 173.81 1wfe s MET 72 N -4.18 2.83 -0.03 3.54 0.23 -1.26 -5.12 119.30 115.31 1wfe s MET 72 Ca 0.68 -0.98 0.07 0.00 -1.03 0.00 0.00 55.69 54.44 1wfe s MET 72 Cb -0.23 -2.67 -0.02 0.00 -1.53 0.00 0.00 34.83 30.38 1wfe s MET 72 CO 0.46 -0.33 -0.23 0.00 -2.03 0.00 0.00 175.02 172.88 1wfe s ALA 73 N -2.46 2.30 1.12 3.16 0.00 -1.26 -4.87 121.76 119.74 1wfe s ALA 73 Ca 0.53 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 1wfe s ALA 73 Cb -0.10 -0.66 0.23 0.00 0.00 0.00 0.00 23.12 22.59 1wfe s ALA 73 CO 0.35 0.54 0.88 0.00 0.00 0.00 0.00 175.76 177.53 1wfe n ALA 74 N 2.39 -2.71 -2.77 0.00 0.00 -1.26 -5.04 120.51 111.13 1wfe n ALA 74 Ca -0.16 -1.07 -0.26 0.00 0.00 0.00 0.00 53.44 51.95 1wfe n ALA 74 Cb 0.51 -1.96 -0.16 0.00 0.00 0.00 0.00 19.45 17.84 1wfe n ALA 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wfe s THR 75 N -2.42 1.47 -0.90 0.00 2.01 -1.26 -5.08 115.64 109.46 1wfe s THR 75 Ca 0.66 -0.76 -0.24 0.00 0.31 0.00 0.00 61.69 61.66 1wfe s THR 75 Cb -0.23 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1wfe s THR 75 CO 0.64 0.42 1.57 -1.58 -0.69 0.00 0.00 174.62 174.98 1wfe s GLN 76 N -0.11 3.19 -0.14 4.92 0.74 -1.26 -4.97 119.66 122.02 1wfe s GLN 76 Ca -0.01 -0.59 -0.13 0.00 0.05 0.00 0.00 55.36 54.67 1wfe s GLN 76 Cb -0.10 -4.97 -0.05 0.00 1.10 0.00 0.00 33.01 28.99 1wfe s GLN 76 CO 0.01 -2.51 0.30 0.21 -0.55 0.00 0.00 175.29 172.75 1wfe s LYS 77 N 5.78 4.16 0.09 1.67 2.20 -1.26 -5.03 119.74 127.35 1wfe s LYS 77 Ca 0.51 0.12 -0.31 0.00 -0.36 0.00 0.00 55.97 55.93 1wfe s LYS 77 Cb -0.04 -3.39 -0.10 0.00 -1.51 0.00 0.00 37.83 32.79 1wfe s LYS 77 CO -0.00 0.32 1.91 -0.11 -0.36 0.00 0.00 175.35 177.11 1wfe n LEU 78 N 3.28 4.14 -3.58 5.43 -0.00 -1.26 -4.97 117.00 120.04 1wfe n LEU 78 Ca -0.13 0.94 -0.16 0.00 -0.00 0.00 0.00 56.01 56.67 1wfe n LEU 78 Cb 0.52 -1.54 -0.13 0.00 -0.00 0.00 0.00 43.42 42.27 1wfe n LEU 78 CO 0.39 0.21 -0.17 0.68 -0.00 0.00 0.00 177.39 178.49 1wfe s VAL 79 N 3.56 -0.36 -0.17 1.96 -7.23 -1.26 -5.14 120.40 111.76 1wfe s VAL 79 Ca 0.85 0.12 -0.09 0.00 -1.81 0.00 0.00 61.98 61.05 1wfe s VAL 79 Cb -0.45 -0.53 0.06 0.00 0.56 0.00 0.00 36.38 36.02 1wfe s VAL 79 CO 0.39 -0.02 0.41 -0.13 -0.31 0.00 0.00 175.10 175.45 1wfe s ARG 80 N 2.37 0.39 -0.34 4.82 0.52 -1.26 -5.12 118.95 120.32 1wfe s ARG 80 Ca 0.04 0.80 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 1wfe s ARG 80 Cb -0.14 -0.02 0.11 0.00 0.52 0.00 0.00 34.95 35.43 1wfe s ARG 80 CO -0.10 -0.16 0.13 -1.12 0.02 0.00 0.00 175.30 174.07 1wfe s SER 81 N 1.44 3.97 -0.06 0.23 0.01 -1.26 -5.09 113.70 112.94 1wfe s SER 81 Ca -0.09 -1.93 -0.01 0.00 1.31 0.00 0.00 55.95 55.23 1wfe s SER 81 Cb -0.08 -0.95 0.03 0.00 0.21 0.00 0.00 66.02 65.22 1wfe s SER 81 CO -0.13 -0.38 0.02 -0.83 0.41 0.00 0.00 173.24 172.34 1wfe s GLY 82 N 1.25 0.38 0.95 3.44 0.00 -1.26 -5.15 107.32 106.93 1wfe s GLY 82 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.71 1wfe s GLY 82 CO -0.17 1.20 1.09 2.56 0.00 0.00 0.00 173.10 177.79 1wfe s PRO 83 N 2.00 0.81 -0.07 2.90 0.04 -1.26 -4.94 135.00 134.49 1wfe s PRO 83 Ca 0.04 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 1wfe s PRO 83 Cb -0.12 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1wfe s PRO 83 CO -0.04 -2.51 1.67 -1.54 0.04 0.00 0.00 177.00 174.62 1wfe s SER 84 N -3.43 6.62 0.04 6.66 1.04 -1.26 -4.98 113.70 118.38 1wfe s SER 84 Ca 0.64 2.19 -0.10 0.00 0.48 0.00 0.00 55.95 59.16 1wfe s SER 84 Cb -0.18 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.41 1wfe s SER 84 CO 0.57 -0.97 0.21 -0.44 0.98 0.00 0.00 173.24 173.59 1wfe s SER 85 N 3.53 0.01 0.00 7.02 0.01 -1.26 -5.18 113.70 117.83 1wfe s SER 85 Ca 0.74 -0.34 0.17 0.00 1.31 0.00 0.00 55.95 57.83 1wfe s SER 85 Cb -0.33 0.30 0.14 0.00 0.21 0.00 0.00 66.02 66.34 1wfe s SER 85 CO 0.30 -0.56 1.05 0.61 0.41 0.00 0.00 173.24 175.04