#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfe s SER 2 N 0.00 0.66 -0.04 1.61 0.01 -1.26 -5.14 113.70 109.54 1wfe s SER 2 Ca 0.00 -0.09 -0.31 0.00 1.31 0.00 0.00 55.95 56.86 1wfe s SER 2 Cb 0.00 -0.21 0.12 0.00 0.21 0.00 0.00 66.02 66.14 1wfe s SER 2 CO 0.00 -0.00 1.23 -0.94 0.41 0.00 0.00 173.24 173.94 1wfe s SER 3 N 0.41 -0.09 0.00 2.44 1.04 -1.26 -5.17 113.70 111.07 1wfe s SER 3 Ca -0.05 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1wfe s SER 3 Cb -0.08 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1wfe s SER 3 CO -0.00 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1wfe n GLY 4 N -0.39 3.95 2.88 7.32 0.00 -1.26 -5.15 105.19 112.54 1wfe n GLY 4 Ca -0.06 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.06 0.03 1.61 1.04 -1.26 -5.15 113.70 109.92 1wfe s SER 5 Ca 0.00 0.22 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 1wfe s SER 5 Cb 0.00 0.11 0.10 0.00 0.10 0.00 0.00 66.02 66.33 1wfe s SER 5 CO 0.00 -0.14 1.18 -0.94 0.98 0.00 0.00 173.24 174.32 1wfe s SER 6 N 1.09 -0.10 0.21 7.02 1.04 -1.26 -5.19 113.70 116.51 1wfe s SER 6 Ca -0.09 -0.22 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 1wfe s SER 6 Cb -0.11 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.31 1wfe s SER 6 CO -0.05 -0.49 0.58 -0.83 0.98 0.00 0.00 173.24 173.44 1wfe s GLY 7 N -2.95 -0.20 0.22 7.32 0.00 -1.26 -5.18 107.32 105.27 1wfe s GLY 7 Ca 0.13 -0.09 -0.22 0.00 0.00 0.00 0.00 44.72 44.54 1wfe s GLY 7 CO -0.02 -0.14 0.71 0.00 0.00 0.00 0.00 173.10 173.65 1wfe s SER 9 N -2.85 -0.26 0.68 0.00 0.15 -1.26 -5.17 113.70 105.00 1wfe s SER 9 Ca 0.08 0.50 -0.09 0.00 0.70 0.00 0.00 55.95 57.14 1wfe s SER 9 Cb -0.04 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1wfe s SER 9 CO -0.00 -0.10 1.03 -0.70 1.20 0.00 0.00 173.24 174.66 1wfe s GLU 10 N 0.08 2.59 -0.28 5.44 2.12 -1.26 -5.10 118.70 122.29 1wfe s GLU 10 Ca -0.01 0.09 -0.15 0.00 0.36 0.00 0.00 54.97 55.26 1wfe s GLU 10 Cb -0.02 -2.13 0.09 0.00 0.26 0.00 0.00 34.13 32.33 1wfe s GLU 10 CO 0.00 -1.06 0.69 0.54 -0.54 0.00 0.00 175.26 174.90 1wfe s VAL 11 N -3.25 -0.10 -0.30 3.70 0.11 -1.26 -5.14 120.40 114.16 1wfe s VAL 11 Ca 0.58 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.59 1wfe s VAL 11 Cb -0.11 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.93 1wfe s VAL 11 CO 0.48 0.00 0.69 0.21 -3.33 0.00 0.00 175.10 173.14 1wfe s ASN 12 N 1.76 -1.20 -0.05 3.54 3.84 -1.26 -5.15 114.94 116.42 1wfe s ASN 12 Ca -0.10 0.79 -0.02 0.00 0.21 0.00 0.00 52.86 53.74 1wfe s ASN 12 Cb -0.06 2.02 0.03 0.00 -0.55 0.00 0.00 41.25 42.70 1wfe s ASN 12 CO -0.20 -0.23 0.09 0.54 -2.79 0.00 0.00 177.10 174.51 1wfe s VAL 13 N 2.87 -0.13 -0.08 -5.21 0.11 -1.26 -5.15 120.40 111.56 1wfe s VAL 13 Ca 0.16 0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.56 1wfe s VAL 13 Cb -0.14 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1wfe s VAL 13 CO -0.19 0.14 -0.09 0.54 -3.33 0.00 0.00 175.10 172.17 1wfe s VAL 14 N 1.87 3.50 0.20 2.04 0.11 -1.26 -5.12 120.40 121.74 1wfe s VAL 14 Ca 0.00 -0.55 0.08 0.00 -2.93 0.00 0.00 61.98 58.58 1wfe s VAL 14 Cb -0.12 -2.43 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 1wfe s VAL 14 CO -0.04 0.58 0.03 -0.54 -3.33 0.00 0.00 175.10 171.80 1wfe s LYS 15 N -0.53 2.48 -0.64 1.54 -0.14 -1.26 -5.08 119.74 116.11 1wfe s LYS 15 Ca 0.08 -1.16 -0.19 0.00 -1.36 0.00 0.00 55.97 53.34 1wfe s LYS 15 Cb -0.12 -2.36 0.11 0.00 -1.68 0.00 0.00 37.83 33.78 1wfe s LYS 15 CO 0.02 0.43 0.77 -2.00 -0.76 0.00 0.00 175.35 173.81 1wfe s GLU 16 N -3.24 3.13 0.04 1.68 2.12 -1.26 -5.04 118.70 116.13 1wfe s GLU 16 Ca 0.29 -1.38 -0.23 0.00 0.36 0.00 0.00 54.97 54.02 1wfe s GLU 16 Cb -0.08 -4.33 -0.06 0.00 0.26 0.00 0.00 34.13 29.92 1wfe s GLU 16 CO 0.20 -1.58 0.69 1.03 -0.54 0.00 0.00 175.26 175.06 1wfe s ARG 17 N 2.68 4.41 0.57 4.30 3.00 -1.26 -5.05 118.95 127.60 1wfe s ARG 17 Ca 0.15 0.92 -0.19 0.00 0.00 0.00 0.00 55.73 56.61 1wfe s ARG 17 Cb -0.21 -3.34 -0.05 0.00 0.00 0.00 0.00 34.95 31.35 1wfe s ARG 17 CO 0.04 0.36 1.13 -1.25 0.00 0.00 0.00 175.30 175.58 1wfe s PRO 18 N -0.26 3.24 -0.50 3.54 0.04 -1.26 -4.95 135.00 134.86 1wfe s PRO 18 Ca 0.35 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1wfe s PRO 18 Cb -0.20 -1.99 0.51 0.00 0.04 0.00 0.00 34.50 32.86 1wfe s PRO 18 CO 0.21 -0.93 1.92 1.17 0.04 0.00 0.00 177.00 179.41 1wfe n LYS 19 N -1.52 2.31 -3.73 4.56 4.81 -1.26 -4.84 118.16 118.48 1wfe n LYS 19 Ca 0.11 -2.82 -0.24 0.00 -0.87 0.00 0.00 58.31 54.49 1wfe n LYS 19 Cb 0.51 -2.11 -0.17 0.00 0.02 0.00 0.00 35.03 33.28 1wfe n LYS 19 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1wfe s THR 20 N -3.60 0.28 0.88 3.15 -4.23 -1.26 -5.15 115.64 105.72 1wfe s THR 20 Ca 0.55 -0.04 -0.12 0.00 -1.18 0.00 0.00 61.69 60.90 1wfe s THR 20 Cb 0.44 -0.61 0.12 0.00 1.34 0.00 0.00 72.50 73.79 1wfe s THR 20 CO 0.05 0.06 1.11 -1.81 -0.54 0.00 0.00 174.62 173.49 1wfe s ASP 21 N 1.99 3.76 0.08 3.99 1.01 -1.26 -5.08 116.67 121.16 1wfe s ASP 21 Ca 0.03 1.21 0.04 0.00 0.71 0.00 0.00 52.55 54.54 1wfe s ASP 21 Cb -0.14 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 1wfe s ASP 21 CO -0.06 -2.42 -0.11 -1.83 0.21 0.00 0.00 175.17 170.96 1wfe s GLU 22 N -5.13 0.78 -0.10 8.23 4.04 -1.26 -5.15 118.70 120.11 1wfe s GLU 22 Ca 0.63 -1.02 -0.07 0.00 0.04 0.00 0.00 54.97 54.55 1wfe s GLU 22 Cb -0.16 -0.60 -0.04 0.00 0.02 0.00 0.00 34.13 33.36 1wfe s GLU 22 CO 0.55 0.11 0.16 -1.01 -1.84 0.00 0.00 175.26 173.23 1wfe s HIS 23 N -1.84 3.60 1.18 4.83 3.76 -1.26 -5.10 115.29 120.46 1wfe s HIS 23 Ca 0.00 0.53 -0.19 0.00 -0.15 0.00 0.00 55.06 55.25 1wfe s HIS 23 Cb -0.07 -1.94 0.28 0.00 1.11 0.00 0.00 32.58 31.96 1wfe s HIS 23 CO 0.01 0.72 1.11 0.15 -0.85 0.00 0.00 174.74 175.88 1wfe s LYS 24 N -1.16 -1.08 -0.09 1.40 3.01 -1.23 -4.92 119.74 115.66 1wfe s LYS 24 Ca 0.17 -0.02 0.01 0.00 -1.01 0.00 0.00 55.97 55.12 1wfe s LYS 24 Cb -0.12 -1.61 0.02 0.00 -1.01 0.00 0.00 37.83 35.11 1wfe s LYS 24 CO 0.06 -3.63 -0.09 -1.12 0.51 0.00 0.00 175.35 171.09 1wfe s SER 25 N -3.86 1.99 -0.11 2.83 0.01 -1.26 -4.09 113.70 109.20 1wfe s SER 25 Ca 0.70 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.67 1wfe s SER 25 Cb -0.10 -0.82 -0.02 0.00 0.21 0.00 0.00 66.02 65.29 1wfe s SER 25 CO 0.56 -0.07 -0.09 -0.31 0.41 0.00 0.00 173.24 173.74 1wfe s TYR 26 N 1.33 2.88 -0.03 2.43 1.51 -1.17 -4.94 117.35 119.36 1wfe s TYR 26 Ca -0.02 -0.32 -0.25 0.00 -1.01 0.00 0.00 57.07 55.47 1wfe s TYR 26 Cb -0.14 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1wfe s TYR 26 CO -0.04 0.02 0.77 -1.12 -1.11 0.00 0.00 175.55 174.07 1wfe s SER 27 N -0.08 7.11 0.35 2.29 0.01 -1.26 -3.37 113.70 118.75 1wfe s SER 27 Ca -0.00 1.34 -0.26 0.00 1.31 0.00 0.00 55.95 58.34 1wfe s SER 27 Cb -0.14 -2.45 -0.13 0.00 0.21 0.00 0.00 66.02 63.51 1wfe s SER 27 CO 0.03 -0.11 0.92 0.00 0.41 0.00 0.00 173.24 174.49 1wfe n SER 29 N 1.02 4.21 -4.95 0.00 2.88 -0.05 -4.94 113.62 111.78 1wfe n SER 29 Ca 0.10 -3.44 -0.24 0.00 -1.33 0.00 0.00 58.87 53.95 1wfe n SER 29 Cb 0.35 -0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 63.00 1wfe n SER 29 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1wfe s PHE 30 N -3.16 3.47 -0.97 0.66 5.36 -1.26 -5.00 117.98 117.08 1wfe s PHE 30 Ca 0.56 0.12 -0.19 0.00 -0.96 0.00 0.00 56.93 56.45 1wfe s PHE 30 Cb 0.46 -1.68 0.11 0.00 -0.34 0.00 0.00 43.02 41.58 1wfe s PHE 30 CO 0.12 0.44 1.22 0.21 -1.46 0.00 0.00 175.22 175.75 1wfe s LYS 31 N -3.59 3.62 0.00 10.12 2.20 -1.26 -3.79 119.74 127.04 1wfe s LYS 31 Ca 0.35 -1.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 1wfe s LYS 31 Cb -0.10 -5.03 0.00 0.00 -1.51 0.00 0.00 37.83 31.19 1wfe s LYS 31 CO 0.29 -1.88 0.00 0.41 -0.36 0.00 0.00 175.35 173.82 1wfe n GLY 32 N 5.75 1.55 2.99 5.54 0.00 -1.26 -5.15 105.19 114.61 1wfe n GLY 32 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 3.01 1.50 -4.19 0.00 -2.24 -1.26 -4.73 114.28 106.37 1wfe n THR 34 Ca -0.12 -3.01 -0.33 0.00 -2.27 0.00 0.00 64.05 58.31 1wfe n THR 34 Cb 0.59 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 69.21 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 -3.43 5.45 0.51 3.42 1.01 -1.26 -4.96 116.67 117.40 1wfe s ASP 35 Ca 0.35 0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.75 1wfe s ASP 35 Cb 0.36 -1.52 -0.00 0.00 1.01 0.00 0.00 42.92 42.76 1wfe s ASP 35 CO -0.04 0.30 0.11 0.68 0.21 0.00 0.00 175.17 176.43 1wfe s VAL 36 N -1.11 1.35 0.10 -1.27 -7.23 -1.26 -2.55 120.40 108.44 1wfe s VAL 36 Ca 0.20 -1.86 -0.17 0.00 -1.81 0.00 0.00 61.98 58.34 1wfe s VAL 36 Cb -0.12 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.65 1wfe s VAL 36 CO 0.11 0.00 0.42 -1.61 -0.31 0.00 0.00 175.10 173.71 1wfe s GLU 37 N -3.98 1.04 0.19 4.82 0.41 -1.22 -4.94 118.70 115.02 1wfe s GLU 37 Ca 0.15 -0.57 -0.13 0.00 -0.41 0.00 0.00 54.97 54.01 1wfe s GLU 37 Cb 0.01 0.46 0.11 0.00 -1.78 0.00 0.00 34.13 32.93 1wfe s GLU 37 CO 0.09 -0.39 1.84 -0.07 -0.49 0.00 0.00 175.26 176.23 1wfe h LEU 38 N 2.54 0.63-10.46 1.80 3.38 -1.92 -3.11 115.31 108.18 1wfe h LEU 38 Ca -0.33 -0.01 -0.48 0.00 0.09 0.00 0.00 57.88 57.15 1wfe h LEU 38 Cb 1.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1wfe h LEU 38 CO 0.45 0.45 -0.22 0.68 0.09 0.00 0.00 178.44 179.89 1wfe s VAL 39 N -6.14 2.41 -0.29 1.22 -7.23 -1.26 -3.52 120.40 105.59 1wfe s VAL 39 Ca -0.13 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1wfe s VAL 39 Cb 0.13 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.57 1wfe s VAL 39 CO 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.54 1wfe s ALA 40 N -2.56 2.83 -0.95 1.32 0.00 -1.26 -4.60 121.76 116.54 1wfe s ALA 40 Ca 0.54 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 1wfe s ALA 40 Cb -0.06 -1.93 0.12 0.00 0.00 0.00 0.00 23.12 21.25 1wfe s ALA 40 CO 0.33 -1.14 1.19 0.08 0.00 0.00 0.00 175.76 176.22 1wfe s VAL 41 N 1.31 4.59 0.23 0.00 1.01 -1.24 -4.95 120.40 121.34 1wfe s VAL 41 Ca -0.03 -1.44 -0.27 0.00 0.00 0.00 0.00 61.98 60.24 1wfe s VAL 41 Cb -0.19 -4.83 -0.09 0.00 0.00 0.00 0.00 36.38 31.27 1wfe s VAL 41 CO -0.01 -1.59 0.87 -0.63 0.00 0.00 0.00 175.10 173.74 1wfe s ILE 42 N 3.08 4.24 -0.19 2.22 -1.09 -1.26 -0.95 121.20 127.26 1wfe s ILE 42 Ca 0.35 1.84 -0.16 0.00 -2.23 0.00 0.00 60.65 60.45 1wfe s ILE 42 Cb -0.04 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1wfe s ILE 42 CO -0.09 0.42 0.41 0.00 -1.23 0.00 0.00 174.94 174.44 1wfe n PRO 44 N 4.38 0.49 -0.01 0.00 -0.04 -1.26 0.65 135.00 139.21 1wfe n PRO 44 Ca -0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.35 1wfe n PRO 44 Cb 0.51 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.71 0.00 1.17 0.54 4.02 -1.26 -4.74 117.16 116.18 1wfe n TYR 45 Ca 0.05 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.06 1wfe n TYR 45 Cb 0.02 -0.17 0.28 0.00 -0.02 0.00 0.00 39.34 39.45 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 -0.63 -4.99 -4.22 0.00 1.02 0.21 -4.96 120.64 107.07 1wfe n GLU 47 Ca 0.11 0.62 -0.18 0.00 -0.02 0.00 0.00 57.16 57.69 1wfe n GLU 47 Cb 0.37 -5.21 -0.11 0.00 -0.02 0.00 0.00 31.44 26.47 1wfe n GLU 47 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wfe s LYS 48 N -6.02 0.96 -0.05 3.49 1.02 -1.24 -4.80 119.74 113.10 1wfe s LYS 48 Ca 0.05 -1.15 -0.18 0.00 0.02 0.00 0.00 55.97 54.71 1wfe s LYS 48 Cb -0.02 -0.88 -0.05 0.00 -0.52 0.00 0.00 37.83 36.36 1wfe s LYS 48 CO 0.81 0.18 0.50 0.54 -0.92 0.00 0.00 175.35 176.46 1wfe s ASN 49 N -2.24 6.81 0.25 2.83 4.22 -1.26 -0.35 114.94 125.21 1wfe s ASN 49 Ca 0.06 0.96 0.01 0.00 -2.14 0.00 0.00 52.86 51.74 1wfe s ASN 49 Cb -0.06 -2.30 -0.05 0.00 1.28 0.00 0.00 41.25 40.12 1wfe s ASN 49 CO 0.03 0.11 0.12 -0.36 -2.04 0.00 0.00 177.10 174.95 1wfe s PHE 50 N -0.03 1.44 0.26 1.54 0.40 -0.12 -0.87 117.98 120.60 1wfe s PHE 50 Ca 0.27 -1.27 -0.17 0.00 -0.60 0.00 0.00 56.93 55.16 1wfe s PHE 50 Cb -0.16 -0.80 -0.08 0.00 0.51 0.00 0.00 43.02 42.48 1wfe s PHE 50 CO 0.13 -0.45 0.71 0.00 0.70 0.00 0.00 175.22 176.31 1wfe n LEU 52 N 0.22 0.14 -0.32 0.00 7.99 -1.26 0.24 117.00 124.00 1wfe n LEU 52 Ca 0.00 1.48 -0.04 0.00 -0.01 0.00 0.00 56.01 57.44 1wfe n LEU 52 Cb 0.52 -0.64 0.08 0.00 -0.11 0.00 0.00 43.42 43.27 1wfe n LEU 52 CO 0.42 -1.59 1.17 -0.09 -1.51 0.00 0.00 177.39 175.80 1wfe h ARG 53 N 0.00 1.19 -0.72 3.23 9.65 -1.99 -2.79 114.38 122.95 1wfe h ARG 53 Ca 0.66 -0.13 -0.48 0.00 -1.10 0.00 0.00 59.98 58.93 1wfe h ARG 53 Cb 1.62 -0.24 -0.29 0.00 -1.39 0.00 0.00 29.97 29.67 1wfe h ARG 53 CO -0.74 0.86 -0.07 0.72 2.80 0.00 0.00 179.97 183.53 1wfe n HIS 54 N -4.39 2.43 -0.02 2.20 8.25 0.65 -4.68 115.22 119.66 1wfe n HIS 54 Ca 0.09 -2.27 -0.16 0.00 -0.26 0.00 0.00 57.72 55.12 1wfe n HIS 54 Cb 0.08 -0.73 -0.10 0.00 1.12 0.00 0.00 29.99 30.37 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 1.75 0.36 -6.89 -0.41 0.11 -0.00 -3.38 114.38 105.93 1wfe h ARG 55 Ca 0.41 -0.32 -0.48 0.00 0.10 0.00 0.00 59.98 59.69 1wfe h ARG 55 Cb 1.41 0.07 0.22 0.00 1.11 0.00 0.00 29.97 32.79 1wfe h ARG 55 CO 0.91 0.97 -0.53 1.58 0.10 0.00 0.00 179.97 183.00 1wfe n HIS 56 N -4.36 -1.10 0.00 4.08 -0.00 -1.26 -4.88 115.22 107.69 1wfe n HIS 56 Ca -0.09 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1wfe n HIS 56 Cb 0.55 -1.71 0.00 0.00 -0.12 0.00 0.00 29.99 28.71 1wfe n HIS 56 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wfe n GLN 57 N -2.96 0.00 -0.34 1.57 6.02 -1.26 -3.12 117.38 117.30 1wfe n GLN 57 Ca 0.04 0.30 0.21 0.00 -0.01 0.00 0.00 57.00 57.55 1wfe n GLN 57 Cb 0.57 -1.10 0.47 0.00 1.02 0.00 0.00 30.24 31.20 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 0.52 -0.54 1.08 0.02 -1.93 -0.14 113.55 112.56 1wfe h SER 58 Ca 0.00 0.10 0.11 0.00 -0.84 0.00 0.00 61.79 61.16 1wfe h SER 58 Cb 0.00 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.46 1wfe h SER 58 CO 0.00 0.08 -0.21 0.44 -1.14 0.00 0.00 176.83 176.00 1wfe h ASP 59 N 0.45 -0.75 -0.47 3.07 3.32 -1.91 0.33 116.42 120.46 1wfe h ASP 59 Ca 0.62 0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.80 1wfe h ASP 59 Cb 1.44 0.43 -0.04 0.00 0.22 0.00 0.00 39.33 41.38 1wfe h ASP 59 CO -0.37 -0.24 0.08 0.00 -1.72 0.00 0.00 179.24 176.99 1wfe n HIS 60 N -5.42 1.63 -3.78 4.55 1.44 -0.17 -4.91 115.22 108.56 1wfe n HIS 60 Ca 0.05 -0.68 -0.26 0.00 -2.01 0.00 0.00 57.72 54.82 1wfe n HIS 60 Cb 0.32 -0.46 0.02 0.00 0.12 0.00 0.00 29.99 29.99 1wfe n HIS 60 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wfe n ASP 61 N 0.27 -2.30 -4.70 4.39 9.92 0.11 -4.74 116.55 119.50 1wfe n ASP 61 Ca 0.24 -0.95 -0.64 0.00 -0.53 0.00 0.00 54.79 52.90 1wfe n ASP 61 Cb 1.01 -3.48 -0.09 0.00 -0.64 0.00 0.00 41.12 37.91 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wfe h GLU 63 N 5.11 0.00 -0.21 0.00 9.09 -1.92 -2.94 114.58 123.71 1wfe h GLU 63 Ca -0.46 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 58.89 1wfe h GLU 63 Cb 1.37 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.46 1wfe h GLU 63 CO 0.92 0.20 -0.11 0.87 0.05 0.00 0.00 179.01 180.95 1wfe h LYS 64 N 0.00 0.45 -5.01 1.06 1.79 -1.91 -3.46 116.57 109.49 1wfe h LYS 64 Ca -0.00 -0.20 -0.48 0.00 -2.18 0.00 0.00 60.65 57.79 1wfe h LYS 64 Cb 0.52 -0.01 0.18 0.00 -1.58 0.00 0.00 32.23 31.34 1wfe h LYS 64 CO 0.03 0.74 -1.30 1.28 -1.08 0.00 0.00 179.45 179.12 1wfe n LEU 65 N -4.53 -4.17 -2.27 2.94 4.77 -1.11 -4.79 117.00 107.83 1wfe n LEU 65 Ca -0.05 0.33 -0.28 0.00 -0.03 0.00 0.00 56.01 55.98 1wfe n LEU 65 Cb 0.34 -0.67 0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1wfe n LEU 65 CO 0.40 -4.59 1.40 -0.62 -1.33 0.00 0.00 177.39 172.65 1wfe n GLU 66 N 1.72 2.34 -4.19 3.23 -0.58 -1.26 -4.92 120.64 116.99 1wfe n GLU 66 Ca 0.02 -2.57 -0.34 0.00 -0.42 0.00 0.00 57.16 53.84 1wfe n GLU 66 Cb 0.43 -2.03 -0.11 0.00 -0.57 0.00 0.00 31.44 29.16 1wfe n GLU 66 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wfe s VAL 67 N -3.60 4.22 -0.16 2.62 1.01 -1.26 -5.08 120.40 118.14 1wfe s VAL 67 Ca 0.51 -0.24 -0.32 0.00 0.00 0.00 0.00 61.98 61.93 1wfe s VAL 67 Cb 0.39 -2.88 0.14 0.00 0.00 0.00 0.00 36.38 34.02 1wfe s VAL 67 CO -0.09 0.46 1.13 0.00 0.00 0.00 0.00 175.10 176.61 1wfe s ALA 68 N 0.53 -2.01 -0.02 5.51 0.00 -1.26 -5.10 121.76 119.42 1wfe s ALA 68 Ca -0.00 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.49 1wfe s ALA 68 Cb -0.14 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1wfe s ALA 68 CO 0.02 -0.52 -0.04 0.15 0.00 0.00 0.00 175.76 175.38 1wfe s LYS 69 N -2.14 0.46 0.00 0.00 1.02 -1.26 -5.02 119.74 112.80 1wfe s LYS 69 Ca 0.07 -0.10 0.15 0.00 0.02 0.00 0.00 55.97 56.10 1wfe s LYS 69 Cb -0.01 -0.50 0.73 0.00 -0.52 0.00 0.00 37.83 37.53 1wfe s LYS 69 CO -0.05 0.01 1.42 -0.35 -0.92 0.00 0.00 175.35 175.46 1wfe n PRO 70 N 3.45 0.18 -1.66 -1.68 -0.04 -1.26 -4.82 135.00 129.18 1wfe n PRO 70 Ca -0.19 0.16 -0.50 0.00 -0.04 0.00 0.00 63.50 62.93 1wfe n PRO 70 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1wfe n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfe n ARG 71 N -1.31 1.69 -2.68 0.54 1.74 -1.26 -4.94 116.66 110.43 1wfe n ARG 71 Ca 0.07 0.61 -0.31 0.00 -0.77 0.00 0.00 57.85 57.44 1wfe n ARG 71 Cb 0.13 -2.35 -0.04 0.00 -1.02 0.00 0.00 32.46 29.18 1wfe n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfe s MET 72 N 2.01 3.88 -0.43 5.56 0.23 -1.26 -4.93 119.30 124.36 1wfe s MET 72 Ca 0.87 0.71 -0.44 0.00 -1.03 0.00 0.00 55.69 55.80 1wfe s MET 72 Cb -0.83 -2.28 -0.18 0.00 -1.53 0.00 0.00 34.83 30.00 1wfe s MET 72 CO 0.49 -0.12 1.72 0.00 -2.03 0.00 0.00 175.02 175.08 1wfe n ALA 73 N -1.33 -0.76 -3.76 3.16 0.00 -1.26 -4.90 120.51 111.65 1wfe n ALA 73 Ca 0.04 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.54 1wfe n ALA 73 Cb 0.54 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.83 1wfe n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfe s ALA 74 N 3.64 3.29 -0.29 0.00 0.00 -1.26 -5.03 121.76 122.10 1wfe s ALA 74 Ca 1.05 -2.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.08 1wfe s ALA 74 Cb -1.35 -2.48 0.12 0.00 0.00 0.00 0.00 23.12 19.40 1wfe s ALA 74 CO 0.75 -1.90 0.84 -0.08 0.00 0.00 0.00 175.76 175.37 1wfe s THR 75 N 0.74 -0.07 -0.27 0.00 -1.32 -1.26 -5.17 115.64 108.29 1wfe s THR 75 Ca 0.11 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.32 1wfe s THR 75 Cb -0.22 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 69.94 1wfe s THR 75 CO -0.04 0.00 1.27 -1.58 -2.21 0.00 0.00 174.62 172.06 1wfe s GLN 76 N 1.59 0.24 -0.57 7.08 0.74 -1.26 -5.12 119.66 122.36 1wfe s GLN 76 Ca -0.09 0.18 -0.21 0.00 0.05 0.00 0.00 55.36 55.28 1wfe s GLN 76 Cb -0.05 0.11 0.06 0.00 1.10 0.00 0.00 33.01 34.24 1wfe s GLN 76 CO -0.17 -0.05 0.82 0.15 -0.55 0.00 0.00 175.29 175.48 1wfe s LYS 77 N -0.38 3.17 -0.18 1.67 1.02 -1.26 -5.02 119.74 118.77 1wfe s LYS 77 Ca 0.05 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 55.00 1wfe s LYS 77 Cb -0.03 -4.14 -0.01 0.00 -0.52 0.00 0.00 37.83 33.13 1wfe s LYS 77 CO -0.09 -1.50 1.14 -1.17 -0.92 0.00 0.00 175.35 172.81 1wfe s LEU 78 N 3.40 4.16 -0.28 3.17 2.96 -1.26 -5.00 118.68 125.83 1wfe s LEU 78 Ca 0.21 1.56 -0.21 0.00 -0.22 0.00 0.00 54.13 55.47 1wfe s LEU 78 Cb -0.17 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.08 1wfe s LEU 78 CO 0.13 -0.68 0.85 0.54 -1.32 0.00 0.00 176.35 175.87 1wfe s VAL 79 N 3.14 0.00 0.00 1.68 0.11 -1.26 -5.04 120.40 119.03 1wfe s VAL 79 Ca 0.50 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1wfe s VAL 79 Cb -0.19 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1wfe s VAL 79 CO 0.12 0.00 0.00 -2.11 -3.33 0.00 0.00 175.10 169.78 1wfe n ARG 80 N 3.23 2.90 -3.62 1.54 -4.01 -1.26 -5.08 116.66 110.35 1wfe n ARG 80 Ca -0.16 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.52 1wfe n ARG 80 Cb 0.57 -0.71 -0.05 0.00 -3.04 0.00 0.00 32.46 29.23 1wfe n ARG 80 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 1wfe s SER 81 N -1.29 -0.32 -0.30 2.89 1.04 -1.26 -5.14 113.70 109.32 1wfe s SER 81 Ca 0.00 -0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.35 1wfe s SER 81 Cb 0.00 0.46 0.11 0.00 0.10 0.00 0.00 66.02 66.69 1wfe s SER 81 CO 0.00 -0.75 0.14 -0.83 0.98 0.00 0.00 173.24 172.79 1wfe s GLY 82 N -2.26 0.61 0.59 7.32 0.00 -1.26 -5.14 107.32 107.18 1wfe s GLY 82 Ca -0.03 -1.27 -0.17 0.00 0.00 0.00 0.00 44.72 43.24 1wfe s GLY 82 CO -0.05 2.03 1.12 2.56 0.00 0.00 0.00 173.10 178.76 1wfe s PRO 83 N 1.88 3.11 0.15 2.90 0.04 -1.26 -5.07 135.00 136.75 1wfe s PRO 83 Ca 0.11 1.51 0.07 0.00 0.04 0.00 0.00 61.00 62.72 1wfe s PRO 83 Cb -0.17 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1wfe s PRO 83 CO -0.30 -1.02 -0.15 0.45 0.04 0.00 0.00 177.00 176.02 1wfe s SER 84 N -2.15 2.28 0.14 6.66 0.15 -1.26 -5.16 113.70 114.36 1wfe s SER 84 Ca 0.70 -0.87 0.08 0.00 0.70 0.00 0.00 55.95 56.55 1wfe s SER 84 Cb -0.22 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.95 1wfe s SER 84 CO 0.33 -0.13 -0.17 -0.55 1.20 0.00 0.00 173.24 173.92 1wfe s SER 85 N -2.70 2.44 0.00 5.45 0.15 -1.26 -5.37 113.70 112.41 1wfe s SER 85 Ca 0.14 -0.81 0.29 0.00 0.70 0.00 0.00 55.95 56.27 1wfe s SER 85 Cb -0.04 -0.13 1.35 0.00 -1.71 0.00 0.00 66.02 65.49 1wfe s SER 85 CO 0.04 -0.05 1.91 0.61 1.20 0.00 0.00 173.24 176.96