#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 0.06 0.13 1.61 0.01 -1.26 -5.07 113.70 109.18 1wfe s SER 2 Ca 0.00 -0.49 -0.32 0.00 1.31 0.00 0.00 55.95 56.44 1wfe s SER 2 Cb 0.00 0.32 -0.10 0.00 0.21 0.00 0.00 66.02 66.45 1wfe s SER 2 CO 0.00 -0.66 1.56 -1.28 0.41 0.00 0.00 173.24 173.27 1wfe h SER 3 N 3.05 -1.70 -1.17 2.44 0.87 -2.15 -3.47 113.55 111.42 1wfe h SER 3 Ca -0.33 0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1wfe h SER 3 Cb 1.20 0.69 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 1wfe h SER 3 CO 0.52 -0.44 -0.06 0.61 -0.53 0.00 0.00 176.83 176.93 1wfe n GLY 4 N -1.42 -0.96 3.36 5.77 0.00 -1.26 -4.95 105.19 105.74 1wfe n GLY 4 Ca -0.04 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 45.06 1wfe n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfe s SER 5 N -4.32 -0.57 -0.41 1.61 0.15 -1.26 -5.12 113.70 103.78 1wfe s SER 5 Ca 0.00 0.71 0.04 0.00 0.70 0.00 0.00 55.95 57.40 1wfe s SER 5 Cb 0.00 1.62 0.11 0.00 -1.71 0.00 0.00 66.02 66.04 1wfe s SER 5 CO 0.00 -0.11 0.13 -0.44 1.20 0.00 0.00 173.24 174.02 1wfe s SER 6 N 2.50 4.60 -0.52 5.45 0.01 -1.26 -4.99 113.70 119.48 1wfe s SER 6 Ca -0.02 -2.47 -0.07 0.00 1.31 0.00 0.00 55.95 54.71 1wfe s SER 6 Cb -0.06 -1.63 -0.18 0.00 0.21 0.00 0.00 66.02 64.36 1wfe s SER 6 CO -0.17 -0.33 3.33 0.61 0.41 0.00 0.00 173.24 177.09 1wfe n GLY 7 N 3.83 3.54 2.98 3.44 0.00 -1.26 -4.83 105.19 112.90 1wfe n GLY 7 Ca 0.04 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.86 6.79 0.73 0.00 0.15 -1.26 -5.06 113.70 114.20 1wfe s SER 9 Ca -0.06 0.97 -0.15 0.00 0.70 0.00 0.00 55.95 57.40 1wfe s SER 9 Cb -0.06 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1wfe s SER 9 CO -0.00 0.25 1.19 1.21 1.20 0.00 0.00 173.24 177.09 1wfe n GLU 10 N 1.41 0.58 -3.21 5.44 2.13 -1.26 -5.03 120.64 120.71 1wfe n GLU 10 Ca -0.11 0.26 0.04 0.00 0.66 0.00 0.00 57.16 58.02 1wfe n GLU 10 Cb 0.52 -2.43 -0.03 0.00 0.27 0.00 0.00 31.44 29.77 1wfe n GLU 10 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1wfe s VAL 11 N -1.80 -0.24 -0.17 6.31 0.11 -1.26 -5.15 120.40 118.20 1wfe s VAL 11 Ca 0.77 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.83 1wfe s VAL 11 Cb -0.33 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.54 1wfe s VAL 11 CO 0.47 0.00 -0.19 0.21 -3.33 0.00 0.00 175.10 172.26 1wfe s ASN 12 N 2.57 3.05 -0.09 3.54 3.04 -1.26 -5.11 114.94 120.69 1wfe s ASN 12 Ca -0.02 -0.62 -0.23 0.00 0.04 0.00 0.00 52.86 52.02 1wfe s ASN 12 Cb -0.06 -1.43 0.05 0.00 -1.54 0.00 0.00 41.25 38.27 1wfe s ASN 12 CO -0.13 -0.01 0.55 0.54 -3.04 0.00 0.00 177.10 175.00 1wfe s VAL 13 N 1.32 0.02 -0.05 -5.21 0.11 -1.26 -5.16 120.40 110.16 1wfe s VAL 13 Ca 0.05 -0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 58.86 1wfe s VAL 13 Cb -0.13 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1wfe s VAL 13 CO -0.13 -0.07 0.27 0.54 -3.33 0.00 0.00 175.10 172.39 1wfe s VAL 14 N -0.81 5.27 -0.22 2.04 0.11 -1.26 -5.08 120.40 120.45 1wfe s VAL 14 Ca -0.09 0.49 0.02 0.00 -2.93 0.00 0.00 61.98 59.47 1wfe s VAL 14 Cb -0.03 -3.56 0.04 0.00 -1.53 0.00 0.00 36.38 31.31 1wfe s VAL 14 CO 0.06 0.58 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.75 1wfe s LYS 15 N -1.12 2.24 -0.25 1.54 1.02 -1.26 -5.09 119.74 116.82 1wfe s LYS 15 Ca 0.20 -1.01 -0.27 0.00 0.02 0.00 0.00 55.97 54.92 1wfe s LYS 15 Cb -0.14 -2.60 0.14 0.00 -0.52 0.00 0.00 37.83 34.71 1wfe s LYS 15 CO 0.09 -0.44 1.13 -2.00 -0.92 0.00 0.00 175.35 173.21 1wfe s GLU 16 N 1.29 0.41 -0.16 1.68 2.12 -1.26 -5.16 118.70 117.62 1wfe s GLU 16 Ca -0.03 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.65 1wfe s GLU 16 Cb -0.17 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.43 1wfe s GLU 16 CO -0.08 -0.08 -0.18 0.50 -0.54 0.00 0.00 175.26 174.88 1wfe s ARG 17 N -0.25 2.76 -0.91 4.30 6.06 -1.26 -5.06 118.95 124.58 1wfe s ARG 17 Ca 0.03 -0.74 -0.24 0.00 -2.50 0.00 0.00 55.73 52.27 1wfe s ARG 17 Cb -0.04 -2.38 -0.05 0.00 0.06 0.00 0.00 34.95 32.55 1wfe s ARG 17 CO -0.06 -0.18 1.95 -1.25 -2.50 0.00 0.00 175.30 173.25 1wfe s PRO 18 N 1.26 2.55 0.28 5.12 0.04 -1.26 -4.93 135.00 138.06 1wfe s PRO 18 Ca 0.03 -0.33 -0.15 0.00 0.04 0.00 0.00 61.00 60.59 1wfe s PRO 18 Cb -0.13 -5.07 -0.11 0.00 0.04 0.00 0.00 34.50 29.23 1wfe s PRO 18 CO -0.10 -3.40 0.06 0.36 0.04 0.00 0.00 177.00 173.96 1wfe n LYS 19 N 8.83 0.00 -3.68 4.56 0.00 -1.26 -4.89 118.16 121.72 1wfe n LYS 19 Ca 0.40 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.33 1wfe n LYS 19 Cb 0.47 -0.70 -0.12 0.00 -0.00 0.00 0.00 35.03 34.68 1wfe n LYS 19 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1wfe s THR 20 N -1.18 4.52 -0.47 0.58 -4.23 -1.26 -5.04 115.64 108.56 1wfe s THR 20 Ca 0.42 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 1wfe s THR 20 Cb -0.45 -3.26 0.13 0.00 1.34 0.00 0.00 72.50 70.26 1wfe s THR 20 CO 0.44 0.13 0.25 -1.81 -0.54 0.00 0.00 174.62 173.09 1wfe s ASP 21 N 1.61 3.86 0.06 3.99 1.11 -1.26 -5.09 116.67 120.95 1wfe s ASP 21 Ca 0.05 -2.78 -0.05 0.00 0.18 0.00 0.00 52.55 49.94 1wfe s ASP 21 Cb -0.17 -1.23 -0.02 0.00 1.07 0.00 0.00 42.92 42.58 1wfe s ASP 21 CO 0.06 -0.25 0.09 -1.83 1.18 0.00 0.00 175.17 174.42 1wfe s GLU 22 N 0.10 0.70 0.19 8.23 -1.05 -1.26 -5.09 118.70 120.53 1wfe s GLU 22 Ca 0.18 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 1wfe s GLU 22 Cb -0.24 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 1wfe s GLU 22 CO -0.01 -0.18 0.00 0.72 0.95 0.00 0.00 175.26 176.74 1wfe n HIS 23 N 0.18 -1.23 -3.64 4.83 8.25 -1.26 -5.13 115.22 117.22 1wfe n HIS 23 Ca -0.16 0.22 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 1wfe n HIS 23 Cb 0.61 0.29 -0.07 0.00 1.12 0.00 0.00 29.99 31.94 1wfe n HIS 23 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1wfe s LYS 24 N -1.95 0.55 -0.14 -0.41 -2.85 -1.26 -5.16 119.74 108.52 1wfe s LYS 24 Ca 0.00 0.79 -0.06 0.00 -1.00 0.00 0.00 55.97 55.70 1wfe s LYS 24 Cb 0.00 0.20 0.06 0.00 -2.06 0.00 0.00 37.83 36.03 1wfe s LYS 24 CO 0.00 -0.09 0.31 -1.54 0.10 0.00 0.00 175.35 174.13 1wfe s SER 25 N 0.84 -0.19 -0.28 0.03 1.04 -1.26 -4.21 113.70 109.66 1wfe s SER 25 Ca -0.03 0.69 -0.11 0.00 0.48 0.00 0.00 55.95 56.98 1wfe s SER 25 Cb -0.05 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1wfe s SER 25 CO -0.10 -0.20 0.18 -0.31 0.98 0.00 0.00 173.24 173.79 1wfe s TYR 26 N 1.70 3.20 0.37 5.02 1.51 -0.99 -4.89 117.35 123.27 1wfe s TYR 26 Ca -0.06 -0.04 -0.27 0.00 -1.01 0.00 0.00 57.07 55.69 1wfe s TYR 26 Cb -0.10 -2.37 -0.09 0.00 -0.11 0.00 0.00 41.96 39.28 1wfe s TYR 26 CO -0.10 -0.23 1.27 -1.12 -1.11 0.00 0.00 175.55 174.26 1wfe s SER 27 N 1.73 6.56 0.32 2.29 0.01 -1.26 -3.53 113.70 119.81 1wfe s SER 27 Ca 0.07 2.60 -0.28 0.00 1.31 0.00 0.00 55.95 59.65 1wfe s SER 27 Cb -0.16 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.34 1wfe s SER 27 CO 0.10 -0.67 1.17 0.00 0.41 0.00 0.00 173.24 174.24 1wfe n SER 29 N 0.80 6.98 -4.78 0.00 3.41 0.22 -4.92 113.62 115.33 1wfe n SER 29 Ca 0.01 -3.61 -0.35 0.00 -0.26 0.00 0.00 58.87 54.65 1wfe n SER 29 Cb 0.44 -0.97 -0.08 0.00 -0.26 0.00 0.00 64.21 63.35 1wfe n SER 29 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1wfe s PHE 30 N -3.34 3.37 -1.10 7.33 2.19 -1.26 -4.98 117.98 120.19 1wfe s PHE 30 Ca 0.57 0.34 -0.23 0.00 0.33 0.00 0.00 56.93 57.94 1wfe s PHE 30 Cb 0.45 -1.84 -0.03 0.00 -1.31 0.00 0.00 43.02 40.28 1wfe s PHE 30 CO 0.00 0.60 1.84 0.21 1.83 0.00 0.00 175.22 179.70 1wfe s LYS 31 N -1.09 2.90 0.00 10.12 2.20 -1.26 -2.79 119.74 129.82 1wfe s LYS 31 Ca 0.16 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 1wfe s LYS 31 Cb -0.12 -5.25 0.00 0.00 -1.51 0.00 0.00 37.83 30.95 1wfe s LYS 31 CO 0.05 -3.29 0.00 0.41 -0.36 0.00 0.00 175.35 172.16 1wfe n GLY 32 N 6.20 1.53 2.91 5.54 0.00 -1.26 -5.15 105.19 114.96 1wfe n GLY 32 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 3.13 1.78 -4.47 0.00 -2.24 -1.26 -4.76 114.28 106.46 1wfe n THR 34 Ca -0.14 -3.49 -0.32 0.00 -2.27 0.00 0.00 64.05 57.83 1wfe n THR 34 Cb 0.58 0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.96 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 -3.69 4.47 0.32 3.42 1.11 -1.26 -5.00 116.67 116.04 1wfe s ASP 35 Ca 0.37 -0.22 0.04 0.00 0.18 0.00 0.00 52.55 52.93 1wfe s ASP 35 Cb 0.36 -0.98 -0.06 0.00 1.07 0.00 0.00 42.92 43.31 1wfe s ASP 35 CO -0.01 0.27 0.03 0.68 1.18 0.00 0.00 175.17 177.32 1wfe s VAL 36 N -1.01 1.33 0.06 -1.27 -7.23 -1.26 -2.66 120.40 108.36 1wfe s VAL 36 Ca 0.17 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 1wfe s VAL 36 Cb -0.11 -2.73 -0.00 0.00 0.56 0.00 0.00 36.38 34.10 1wfe s VAL 36 CO 0.08 -0.07 0.16 -1.61 -0.31 0.00 0.00 175.10 173.36 1wfe s GLU 37 N -3.85 0.73 0.25 4.82 0.41 -1.23 -4.93 118.70 114.90 1wfe s GLU 37 Ca 0.35 -0.81 -0.04 0.00 -0.41 0.00 0.00 54.97 54.06 1wfe s GLU 37 Cb 0.08 0.30 0.38 0.00 -1.78 0.00 0.00 34.13 33.11 1wfe s GLU 37 CO 0.15 -0.21 1.83 -0.07 -0.49 0.00 0.00 175.26 176.47 1wfe h LEU 38 N 3.20 0.77-10.44 1.80 3.38 -1.94 -2.63 115.31 109.44 1wfe h LEU 38 Ca -0.33 0.03 -0.44 0.00 0.09 0.00 0.00 57.88 57.23 1wfe h LEU 38 Cb 1.19 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 41.85 1wfe h LEU 38 CO 0.53 0.46 -0.11 0.68 0.09 0.00 0.00 178.44 180.08 1wfe s VAL 39 N -6.04 3.18 -0.35 1.22 -7.23 -1.26 -4.57 120.40 105.35 1wfe s VAL 39 Ca -0.12 -0.71 -0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1wfe s VAL 39 Cb 0.19 -3.16 0.08 0.00 0.56 0.00 0.00 36.38 34.06 1wfe s VAL 39 CO 0.79 -0.10 0.10 0.00 -0.31 0.00 0.00 175.10 175.58 1wfe s ALA 40 N -2.59 2.98 -0.85 1.32 0.00 -1.26 -4.47 121.76 116.89 1wfe s ALA 40 Ca 0.54 -2.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.04 1wfe s ALA 40 Cb -0.10 -2.16 0.06 0.00 0.00 0.00 0.00 23.12 20.92 1wfe s ALA 40 CO 0.37 -1.57 1.25 0.08 0.00 0.00 0.00 175.76 175.89 1wfe s VAL 41 N 1.15 4.06 0.16 0.00 1.01 -1.25 -4.97 120.40 120.56 1wfe s VAL 41 Ca 0.03 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1wfe s VAL 41 Cb -0.21 -4.90 -0.07 0.00 0.00 0.00 0.00 36.38 31.20 1wfe s VAL 41 CO -0.03 -1.76 0.64 -0.63 0.00 0.00 0.00 175.10 173.32 1wfe s ILE 42 N 4.69 4.68 -0.21 2.22 -1.09 -1.26 -1.03 121.20 129.21 1wfe s ILE 42 Ca 0.36 1.17 -0.14 0.00 -2.23 0.00 0.00 60.65 59.81 1wfe s ILE 42 Cb -0.07 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1wfe s ILE 42 CO 0.02 0.33 0.30 0.00 -1.23 0.00 0.00 174.94 174.36 1wfe n PRO 44 N 4.27 0.49 -0.01 0.00 -0.04 -1.26 0.49 135.00 138.93 1wfe n PRO 44 Ca -0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.32 1wfe n PRO 44 Cb 0.51 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.11 0.54 4.02 -1.26 -4.74 117.16 116.13 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 -0.14 0.29 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.12 -5.72 -4.40 0.00 1.02 0.18 -4.97 120.64 105.64 1wfe n GLU 47 Ca 0.08 0.66 -0.22 0.00 -0.02 0.00 0.00 57.16 57.67 1wfe n GLU 47 Cb 0.34 -5.45 -0.10 0.00 -0.02 0.00 0.00 31.44 26.21 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 -6.17 1.46 -0.21 3.49 1.02 -1.25 -4.80 119.74 113.28 1wfe s LYS 48 Ca 0.30 -1.62 -0.15 0.00 0.02 0.00 0.00 55.97 54.52 1wfe s LYS 48 Cb -0.15 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 1wfe s LYS 48 CO 0.80 0.27 0.37 1.21 -0.92 0.00 0.00 175.35 177.07 1wfe s ASN 49 N -3.23 6.38 0.38 2.83 2.47 -1.26 -1.00 114.94 121.52 1wfe s ASN 49 Ca 0.24 0.45 0.04 0.00 0.42 0.00 0.00 52.86 54.00 1wfe s ASN 49 Cb -0.04 -2.21 -0.04 0.00 -1.45 0.00 0.00 41.25 37.51 1wfe s ASN 49 CO 0.10 -0.07 0.08 -0.36 -3.72 0.00 0.00 177.10 173.13 1wfe s PHE 50 N 1.33 1.90 0.11 0.43 0.40 -0.20 0.69 117.98 122.65 1wfe s PHE 50 Ca 0.17 -1.08 -0.07 0.00 -0.60 0.00 0.00 56.93 55.35 1wfe s PHE 50 Cb -0.15 -1.28 -0.06 0.00 0.51 0.00 0.00 43.02 42.05 1wfe s PHE 50 CO 0.08 -0.08 0.39 0.00 0.70 0.00 0.00 175.22 176.31 1wfe n LEU 52 N 0.49 0.24 -0.21 0.00 7.99 -1.26 0.24 117.00 124.50 1wfe n LEU 52 Ca -0.05 1.36 -0.07 0.00 -0.01 0.00 0.00 56.01 57.24 1wfe n LEU 52 Cb 0.52 -0.65 0.03 0.00 -0.11 0.00 0.00 43.42 43.21 1wfe n LEU 52 CO 0.45 -1.51 1.03 -0.09 -1.51 0.00 0.00 177.39 175.76 1wfe h ARG 53 N 0.00 0.83 -0.92 3.23 2.43 -2.01 -3.00 114.38 114.95 1wfe h ARG 53 Ca 0.67 -0.11 -0.61 0.00 -0.81 0.00 0.00 59.98 59.12 1wfe h ARG 53 Cb 1.75 -0.15 -0.37 0.00 -0.42 0.00 0.00 29.97 30.78 1wfe h ARG 53 CO -0.64 0.66 -0.10 0.72 -1.51 0.00 0.00 179.97 179.09 1wfe n HIS 54 N -4.55 2.97 0.04 2.20 8.25 0.67 -4.68 115.22 120.13 1wfe n HIS 54 Ca 0.04 -2.58 -0.20 0.00 -0.26 0.00 0.00 57.72 54.72 1wfe n HIS 54 Cb 0.11 -0.79 -0.12 0.00 1.12 0.00 0.00 29.99 30.31 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 2.15 0.47 -7.11 -0.41 0.11 -0.47 -3.39 114.38 105.74 1wfe h ARG 55 Ca 0.47 -0.60 -0.50 0.00 0.10 0.00 0.00 59.98 59.45 1wfe h ARG 55 Cb 1.19 0.19 0.21 0.00 1.11 0.00 0.00 29.97 32.67 1wfe h ARG 55 CO 1.11 1.23 -0.05 0.72 0.10 0.00 0.00 179.97 183.08 1wfe n HIS 56 N -4.05 -0.16 0.00 4.08 8.25 -1.26 -4.89 115.22 117.19 1wfe n HIS 56 Ca -0.12 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1wfe n HIS 56 Cb 0.81 -1.87 0.00 0.00 1.12 0.00 0.00 29.99 30.06 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 -3.83 0.00 -0.35 -0.41 6.02 -1.26 -2.89 117.38 114.66 1wfe n GLN 57 Ca 0.08 0.19 0.25 0.00 -0.01 0.00 0.00 57.00 57.52 1wfe n GLN 57 Cb 0.53 -1.07 0.50 0.00 1.02 0.00 0.00 30.24 31.22 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 0.48 -0.61 1.08 0.02 -1.94 0.19 113.55 112.77 1wfe h SER 58 Ca 0.00 0.16 0.13 0.00 -0.84 0.00 0.00 61.79 61.23 1wfe h SER 58 Cb 0.00 0.10 -0.11 0.00 0.14 0.00 0.00 62.40 62.53 1wfe h SER 58 CO 0.00 -0.08 -0.07 0.44 -1.14 0.00 0.00 176.83 175.99 1wfe h ASP 59 N 0.33 -0.40 -0.93 3.07 5.19 -1.91 0.15 116.42 121.92 1wfe h ASP 59 Ca 0.72 0.17 -0.53 0.00 -0.62 0.00 0.00 57.03 56.76 1wfe h ASP 59 Cb 1.75 0.32 -0.28 0.00 0.18 0.00 0.00 39.33 41.29 1wfe h ASP 59 CO -0.51 -0.16 0.68 0.00 -3.12 0.00 0.00 179.24 176.13 1wfe n HIS 60 N -5.34 2.90 -4.36 4.55 1.44 0.59 -4.90 115.22 110.10 1wfe n HIS 60 Ca 0.08 -2.11 -0.33 0.00 -2.01 0.00 0.00 57.72 53.35 1wfe n HIS 60 Cb 0.34 -1.05 -0.10 0.00 0.12 0.00 0.00 29.99 29.30 1wfe n HIS 60 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1wfe n ASP 61 N -0.94 0.46 -4.33 4.39 5.75 0.53 -4.63 116.55 117.79 1wfe n ASP 61 Ca 0.57 -1.27 -0.57 0.00 -0.01 0.00 0.00 54.79 53.50 1wfe n ASP 61 Cb 1.29 -1.59 -0.10 0.00 -1.03 0.00 0.00 41.12 39.69 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wfe h GLU 63 N 9.88 0.20 -1.00 0.00 4.11 -1.92 -2.10 114.58 123.75 1wfe h GLU 63 Ca -0.17 -0.01 0.31 0.00 0.07 0.00 0.00 59.36 59.56 1wfe h GLU 63 Cb 1.39 -0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.41 1wfe h GLU 63 CO 1.06 0.13 0.14 0.87 0.07 0.00 0.00 179.01 181.28 1wfe h LYS 64 N 0.21 0.00 -6.15 1.06 1.79 -1.91 -3.41 116.57 108.17 1wfe h LYS 64 Ca 0.19 -0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.15 1wfe h LYS 64 Cb 0.22 -0.00 0.25 0.00 -1.58 0.00 0.00 32.23 31.11 1wfe h LYS 64 CO -0.24 0.00 -2.09 1.28 -1.08 0.00 0.00 179.45 177.32 1wfe n LEU 65 N -5.45 -3.69 -1.71 2.94 4.77 -0.79 -4.70 117.00 108.37 1wfe n LEU 65 Ca 0.27 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 1wfe n LEU 65 Cb 0.88 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1wfe n LEU 65 CO -0.06 -3.82 1.24 -0.62 -1.33 0.00 0.00 177.39 172.81 1wfe n GLU 66 N 1.60 1.41 -4.03 3.23 1.02 -1.26 -4.86 120.64 117.74 1wfe n GLU 66 Ca -0.01 -0.43 -0.31 0.00 -0.02 0.00 0.00 57.16 56.38 1wfe n GLU 66 Cb 0.66 -1.40 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 1wfe n GLU 66 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wfe s VAL 67 N 0.30 4.83 -0.08 2.62 -7.23 -1.26 -5.11 120.40 114.47 1wfe s VAL 67 Ca 0.26 -0.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.88 1wfe s VAL 67 Cb 0.13 -3.29 0.03 0.00 0.56 0.00 0.00 36.38 33.80 1wfe s VAL 67 CO -0.00 0.21 -0.03 0.00 -0.31 0.00 0.00 175.10 174.96 1wfe s ALA 68 N -1.35 0.91 -0.08 1.32 0.00 -1.26 -5.01 121.76 116.29 1wfe s ALA 68 Ca 0.28 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1wfe s ALA 68 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1wfe s ALA 68 CO 0.21 -0.40 0.04 0.15 0.00 0.00 0.00 175.76 175.76 1wfe s LYS 69 N 1.78 3.08 0.00 0.00 1.02 -1.26 -4.98 119.74 119.37 1wfe s LYS 69 Ca 0.03 -0.36 0.12 0.00 0.02 0.00 0.00 55.97 55.78 1wfe s LYS 69 Cb -0.13 -2.88 0.74 0.00 -0.52 0.00 0.00 37.83 35.05 1wfe s LYS 69 CO -0.06 0.71 1.17 -0.35 -0.92 0.00 0.00 175.35 175.91 1wfe n PRO 70 N 1.98 0.49 -4.41 -1.68 -0.04 -1.26 -4.74 135.00 125.35 1wfe n PRO 70 Ca -0.18 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.07 1wfe n PRO 70 Cb 0.54 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 1wfe n PRO 70 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wfe s ARG 71 N -2.00 1.64 -0.30 0.54 1.70 -1.26 -5.16 118.95 114.12 1wfe s ARG 71 Ca 0.19 -1.94 -0.09 0.00 -0.47 0.00 0.00 55.73 53.42 1wfe s ARG 71 Cb 0.09 -0.48 0.13 0.00 -0.57 0.00 0.00 34.95 34.12 1wfe s ARG 71 CO 0.14 -0.34 0.64 1.41 -1.08 0.00 0.00 175.30 176.07 1wfe s MET 72 N -3.87 0.57 -0.23 3.89 1.75 -1.26 -5.14 119.30 115.02 1wfe s MET 72 Ca 0.34 1.42 0.00 0.00 -1.25 0.00 0.00 55.69 56.20 1wfe s MET 72 Cb 0.06 0.84 0.06 0.00 2.84 0.00 0.00 34.83 38.63 1wfe s MET 72 CO 0.15 -0.23 -0.05 0.00 -0.65 0.00 0.00 175.02 174.25 1wfe s ALA 73 N 2.89 1.87 -0.27 4.11 0.00 -1.26 -5.07 121.76 124.02 1wfe s ALA 73 Ca -0.04 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1wfe s ALA 73 Cb -0.12 -1.39 0.16 0.00 0.00 0.00 0.00 23.12 21.77 1wfe s ALA 73 CO -0.19 -1.14 0.45 0.00 0.00 0.00 0.00 175.76 174.88 1wfe s ALA 74 N 1.44 -1.47 0.22 0.00 0.00 -1.26 -5.03 121.76 115.66 1wfe s ALA 74 Ca -0.05 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 1wfe s ALA 74 Cb -0.18 -1.99 0.32 0.00 0.00 0.00 0.00 23.12 21.27 1wfe s ALA 74 CO -0.06 -1.50 1.77 1.79 0.00 0.00 0.00 175.76 177.76 1wfe h THR 75 N 6.12 0.84 -3.35 0.00 1.35 -2.05 -3.40 112.91 112.42 1wfe h THR 75 Ca -0.14 -0.19 -0.57 0.00 -0.55 0.00 0.00 66.41 64.95 1wfe h THR 75 Cb 1.15 0.22 -0.06 0.00 -1.73 0.00 0.00 68.15 67.72 1wfe h THR 75 CO 0.25 0.10 -0.00 -1.10 -0.25 0.00 0.00 175.52 174.53 1wfe s GLN 76 N -6.07 4.40 0.75 4.72 1.11 -1.26 -5.02 119.66 118.29 1wfe s GLN 76 Ca -0.13 0.71 -0.17 0.00 0.01 0.00 0.00 55.36 55.78 1wfe s GLN 76 Cb 0.18 -3.44 -0.15 0.00 -1.01 0.00 0.00 33.01 28.59 1wfe s GLN 76 CO 0.76 0.10 -0.45 0.36 0.01 0.00 0.00 175.29 176.07 1wfe n LYS 77 N 3.73 0.00 -0.99 2.91 0.00 -1.26 -4.80 118.16 117.76 1wfe n LYS 77 Ca -0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.92 1wfe n LYS 77 Cb 0.51 -1.01 0.04 0.00 -0.00 0.00 0.00 35.03 34.57 1wfe n LYS 77 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1wfe n LEU 78 N 2.94 -5.55 -4.60 -5.58 -0.00 -1.26 -4.91 117.00 98.04 1wfe n LEU 78 Ca 0.03 0.18 -0.37 0.00 -0.00 0.00 0.00 56.01 55.85 1wfe n LEU 78 Cb 0.52 -0.78 -0.10 0.00 -0.00 0.00 0.00 43.42 43.05 1wfe n LEU 78 CO 0.53 -5.73 -0.19 0.68 -0.00 0.00 0.00 177.39 172.68 1wfe s VAL 79 N -2.02 5.18 -0.30 1.47 -7.23 -1.26 -5.03 120.40 111.20 1wfe s VAL 79 Ca 0.41 0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.54 1wfe s VAL 79 Cb -0.17 -3.43 0.18 0.00 0.56 0.00 0.00 36.38 33.52 1wfe s VAL 79 CO 0.81 0.31 1.12 -0.60 -0.31 0.00 0.00 175.10 176.43 1wfe s ARG 80 N 1.37 0.16 0.09 4.82 3.52 -1.26 -5.18 118.95 122.46 1wfe s ARG 80 Ca 0.07 0.34 -0.26 0.00 -0.13 0.00 0.00 55.73 55.75 1wfe s ARG 80 Cb -0.15 0.20 0.08 0.00 -1.56 0.00 0.00 34.95 33.52 1wfe s ARG 80 CO 0.07 -0.11 0.67 -1.12 -0.81 0.00 0.00 175.30 174.00 1wfe s SER 81 N 2.58 -0.55 -0.11 -2.12 0.01 -1.26 -5.18 113.70 107.07 1wfe s SER 81 Ca -0.02 0.15 -0.09 0.00 1.31 0.00 0.00 55.95 57.30 1wfe s SER 81 Cb -0.06 0.55 0.03 0.00 0.21 0.00 0.00 66.02 66.75 1wfe s SER 81 CO -0.14 -0.83 0.29 -0.83 0.41 0.00 0.00 173.24 172.14 1wfe s GLY 82 N -2.36 -0.21 0.17 3.44 0.00 -1.26 -5.05 107.32 102.04 1wfe s GLY 82 Ca -0.01 0.85 -0.08 0.00 0.00 0.00 0.00 44.72 45.48 1wfe s GLY 82 CO -0.08 0.79 1.51 -0.56 0.00 0.00 0.00 173.10 174.76 1wfe h PRO 83 N 5.91 0.84 -5.38 2.90 0.13 -2.07 -3.47 132.00 130.85 1wfe h PRO 83 Ca -0.28 -0.44 -0.35 0.00 -0.87 0.00 0.00 66.00 64.06 1wfe h PRO 83 Cb 1.19 0.01 0.13 0.00 0.13 0.00 0.00 31.00 32.46 1wfe h PRO 83 CO 0.33 1.08 -0.63 0.43 -0.23 0.00 0.00 178.00 178.98 1wfe n SER 84 N -4.05 -5.53 -0.04 1.44 7.64 -1.26 -4.91 113.62 106.91 1wfe n SER 84 Ca -0.02 -0.50 -0.08 0.00 1.01 0.00 0.00 58.87 59.28 1wfe n SER 84 Cb 0.54 -4.62 -0.02 0.00 -1.01 0.00 0.00 64.21 59.10 1wfe n SER 84 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wfe h SER 85 N -2.38 -0.40 0.00 6.43 0.02 -2.06 -3.58 113.55 111.58 1wfe h SER 85 Ca -0.52 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1wfe h SER 85 Cb 1.33 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1wfe h SER 85 CO 0.50 -0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.64