#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 -0.10 0.31 1.61 1.04 -1.26 -5.19 113.70 110.12 1wfe s SER 2 Ca 0.00 -0.11 0.07 0.00 0.48 0.00 0.00 55.95 56.39 1wfe s SER 2 Cb 0.00 0.19 -0.06 0.00 0.10 0.00 0.00 66.02 66.25 1wfe s SER 2 CO 0.00 -0.33 -0.06 -0.44 0.98 0.00 0.00 173.24 173.39 1wfe s SER 3 N -2.72 3.11 0.00 7.02 0.01 -1.26 -5.05 113.70 114.81 1wfe s SER 3 Ca 0.12 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.16 1wfe s SER 3 Cb 0.02 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1wfe s SER 3 CO -0.04 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1wfe n GLY 4 N -0.68 -0.11 2.93 3.44 0.00 -1.26 -5.17 105.19 104.33 1wfe n GLY 4 Ca -0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1wfe n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfe s SER 5 N 0.00 0.30 -0.22 1.61 0.01 -1.26 -5.15 113.70 108.98 1wfe s SER 5 Ca 0.00 -0.12 -0.27 0.00 1.31 0.00 0.00 55.95 56.86 1wfe s SER 5 Cb 0.00 -0.01 0.12 0.00 0.21 0.00 0.00 66.02 66.34 1wfe s SER 5 CO 0.00 -0.02 1.02 -0.44 0.41 0.00 0.00 173.24 174.21 1wfe s SER 6 N -0.30 -0.41 0.00 2.44 0.01 -1.26 -5.16 113.70 109.02 1wfe s SER 6 Ca -0.02 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.88 1wfe s SER 6 Cb -0.02 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1wfe s SER 6 CO -0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1wfe n GLY 7 N 1.49 0.69 3.65 3.44 0.00 -1.26 -5.14 105.19 108.06 1wfe n GLY 7 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 0.75 -0.63 0.18 0.00 1.04 -1.26 -5.18 113.70 108.61 1wfe s SER 9 Ca -0.03 1.06 -0.24 0.00 0.48 0.00 0.00 55.95 57.22 1wfe s SER 9 Cb -0.04 1.04 0.05 0.00 0.10 0.00 0.00 66.02 67.18 1wfe s SER 9 CO -0.12 -0.34 0.80 -1.83 0.98 0.00 0.00 173.24 172.73 1wfe s GLU 10 N -0.17 1.40 -0.17 4.02 -1.05 -1.26 -5.15 118.70 116.30 1wfe s GLU 10 Ca -0.04 -0.71 -0.04 0.00 -0.15 0.00 0.00 54.97 54.03 1wfe s GLU 10 Cb -0.03 0.51 0.07 0.00 -0.44 0.00 0.00 34.13 34.24 1wfe s GLU 10 CO 0.03 -0.63 0.15 0.08 0.95 0.00 0.00 175.26 175.84 1wfe s VAL 11 N -3.59 -0.20 -0.20 1.83 1.01 -1.26 -5.11 120.40 112.87 1wfe s VAL 11 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1wfe s VAL 11 Cb -0.03 -0.58 0.08 0.00 0.00 0.00 0.00 36.38 35.84 1wfe s VAL 11 CO 0.00 -0.20 0.14 0.54 0.00 0.00 0.00 175.10 175.58 1wfe s ASN 12 N 2.23 2.22 -0.09 3.32 2.20 -1.26 -5.12 114.94 118.44 1wfe s ASN 12 Ca 0.04 -0.61 0.01 0.00 -0.94 0.00 0.00 52.86 51.36 1wfe s ASN 12 Cb -0.15 -0.06 0.02 0.00 -2.00 0.00 0.00 41.25 39.06 1wfe s ASN 12 CO -0.10 -0.36 -0.09 -0.69 -2.94 0.00 0.00 177.10 172.93 1wfe s VAL 13 N 2.19 1.02 -0.13 3.54 1.01 -1.26 -5.13 120.40 121.65 1wfe s VAL 13 Ca 0.05 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 1wfe s VAL 13 Cb -0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1wfe s VAL 13 CO -0.15 0.35 0.34 0.54 0.00 0.00 0.00 175.10 176.19 1wfe s VAL 14 N 1.33 5.25 -0.11 2.92 0.11 -1.26 -5.08 120.40 123.55 1wfe s VAL 14 Ca -0.02 0.67 -0.13 0.00 -2.93 0.00 0.00 61.98 59.57 1wfe s VAL 14 Cb -0.14 -3.68 0.03 0.00 -1.53 0.00 0.00 36.38 31.07 1wfe s VAL 14 CO -0.04 0.41 0.35 -0.54 -3.33 0.00 0.00 175.10 171.95 1wfe s LYS 15 N 0.21 0.46 -0.96 1.54 1.02 -1.26 -5.10 119.74 115.65 1wfe s LYS 15 Ca 0.20 0.38 -0.13 0.00 0.02 0.00 0.00 55.97 56.44 1wfe s LYS 15 Cb -0.14 0.22 0.23 0.00 -0.52 0.00 0.00 37.83 37.62 1wfe s LYS 15 CO 0.07 -0.07 0.95 -1.83 -0.92 0.00 0.00 175.35 173.54 1wfe s GLU 16 N -0.06 3.85 -0.21 1.68 1.03 -1.26 -5.03 118.70 118.70 1wfe s GLU 16 Ca -0.02 -2.70 -0.17 0.00 0.03 0.00 0.00 54.97 52.11 1wfe s GLU 16 Cb -0.03 -4.54 -0.03 0.00 -0.80 0.00 0.00 34.13 28.73 1wfe s GLU 16 CO 0.01 -1.33 0.48 0.50 -1.33 0.00 0.00 175.26 173.59 1wfe s ARG 17 N -0.12 4.16 -0.35 -4.83 3.00 -1.26 -5.02 118.95 114.53 1wfe s ARG 17 Ca 0.25 0.32 -0.28 0.00 -1.00 0.00 0.00 55.73 55.01 1wfe s ARG 17 Cb -0.09 -3.57 -0.01 0.00 0.00 0.00 0.00 34.95 31.27 1wfe s ARG 17 CO -0.08 -0.15 1.70 -1.25 0.00 0.00 0.00 175.30 175.51 1wfe s PRO 18 N 1.66 3.40 -0.10 5.12 0.04 -1.26 -4.99 135.00 138.87 1wfe s PRO 18 Ca 0.22 1.31 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 1wfe s PRO 18 Cb -0.15 -4.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.20 1wfe s PRO 18 CO 0.09 -1.77 0.03 0.15 0.04 0.00 0.00 177.00 175.54 1wfe s LYS 19 N 5.46 3.19 0.56 4.56 1.02 -1.26 -5.09 119.74 128.19 1wfe s LYS 19 Ca 0.75 -0.35 -0.21 0.00 0.02 0.00 0.00 55.97 56.18 1wfe s LYS 19 Cb -0.20 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1wfe s LYS 19 CO 0.34 0.66 1.34 0.95 -0.92 0.00 0.00 175.35 177.71 1wfe s THR 20 N -0.74 2.11 -0.72 2.17 -4.23 -1.26 -4.92 115.64 108.05 1wfe s THR 20 Ca 0.12 0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1wfe s THR 20 Cb -0.12 -3.04 0.42 0.00 1.34 0.00 0.00 72.50 71.10 1wfe s THR 20 CO 0.02 -0.00 2.03 -0.90 -0.54 0.00 0.00 174.62 175.23 1wfe n ASP 21 N -1.18 7.64 -4.48 3.99 5.75 -1.26 -5.01 116.55 122.00 1wfe n ASP 21 Ca 0.11 -3.80 -0.28 0.00 -0.01 0.00 0.00 54.79 50.81 1wfe n ASP 21 Cb 0.46 -1.00 0.24 0.00 -1.03 0.00 0.00 41.12 39.78 1wfe n ASP 21 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1wfe s GLU 22 N -3.90 -0.79 1.03 0.11 0.41 -1.26 -4.95 118.70 109.35 1wfe s GLU 22 Ca 0.61 0.66 -0.21 0.00 -0.41 0.00 0.00 54.97 55.62 1wfe s GLU 22 Cb 0.49 -1.58 -0.06 0.00 -1.78 0.00 0.00 34.13 31.19 1wfe s GLU 22 CO -0.13 -3.59 -0.67 0.72 -0.49 0.00 0.00 175.26 171.10 1wfe n HIS 23 N -4.80 -2.05 -1.91 1.61 8.25 -1.26 -4.87 115.22 110.19 1wfe n HIS 23 Ca 0.04 0.32 -0.36 0.00 -0.26 0.00 0.00 57.72 57.45 1wfe n HIS 23 Cb 0.56 -1.50 0.05 0.00 1.12 0.00 0.00 29.99 30.21 1wfe n HIS 23 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1wfe s LYS 24 N -2.68 2.82 -0.24 -0.41 1.02 -1.26 -5.04 119.74 113.95 1wfe s LYS 24 Ca 0.46 1.92 -0.12 0.00 0.02 0.00 0.00 55.97 58.25 1wfe s LYS 24 Cb -0.06 -1.90 0.08 0.00 -0.52 0.00 0.00 37.83 35.44 1wfe s LYS 24 CO 0.69 -1.35 0.56 -1.54 -0.92 0.00 0.00 175.35 172.79 1wfe s SER 25 N -1.51 -0.75 -0.07 2.83 1.04 -1.26 -4.01 113.70 109.97 1wfe s SER 25 Ca 0.79 1.26 0.01 0.00 0.48 0.00 0.00 55.95 58.49 1wfe s SER 25 Cb -0.33 1.34 -0.03 0.00 0.10 0.00 0.00 66.02 67.10 1wfe s SER 25 CO 0.36 -0.22 -0.06 -0.31 0.98 0.00 0.00 173.24 173.98 1wfe s TYR 26 N 1.90 2.96 -0.07 5.02 1.51 -0.90 -4.90 117.35 122.87 1wfe s TYR 26 Ca -0.08 0.03 -0.21 0.00 -1.01 0.00 0.00 57.07 55.81 1wfe s TYR 26 Cb -0.08 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1wfe s TYR 26 CO -0.17 0.34 0.59 -1.12 -1.11 0.00 0.00 175.55 174.08 1wfe s SER 27 N -0.80 6.86 0.55 2.29 0.01 -1.26 -3.12 113.70 118.23 1wfe s SER 27 Ca 0.12 1.03 -0.22 0.00 1.31 0.00 0.00 55.95 58.20 1wfe s SER 27 Cb -0.11 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 1wfe s SER 27 CO 0.02 -0.02 1.35 0.00 0.41 0.00 0.00 173.24 174.99 1wfe n SER 29 N -1.06 5.43 -4.86 0.00 7.64 0.15 -4.94 113.62 115.98 1wfe n SER 29 Ca 0.11 -3.74 -0.25 0.00 1.01 0.00 0.00 58.87 55.99 1wfe n SER 29 Cb 0.45 -0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 62.83 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 -3.57 3.28 -0.94 1.43 5.36 -1.26 -4.97 117.98 117.31 1wfe s PHE 30 Ca 0.57 0.02 -0.23 0.00 -0.96 0.00 0.00 56.93 56.33 1wfe s PHE 30 Cb 0.47 -1.56 0.06 0.00 -0.34 0.00 0.00 43.02 41.65 1wfe s PHE 30 CO 0.03 0.51 1.34 0.21 -1.46 0.00 0.00 175.22 175.85 1wfe s LYS 31 N -3.27 3.50 0.00 10.12 2.20 -1.26 -3.56 119.74 127.47 1wfe s LYS 31 Ca 0.33 -1.05 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 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 0.26 -2.11 0.00 0.41 -0.36 0.00 0.00 175.35 173.55 1wfe n GLY 32 N 6.33 1.18 2.87 5.54 0.00 -1.26 -5.14 105.19 114.71 1wfe n GLY 32 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 3.80 1.65 -4.22 0.00 -2.24 -1.26 -4.73 114.28 107.29 1wfe n THR 34 Ca -0.22 -3.13 -0.33 0.00 -2.27 0.00 0.00 64.05 58.10 1wfe n THR 34 Cb 0.54 0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 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 -3.38 5.31 0.26 3.42 1.01 -1.26 -4.98 116.67 117.04 1wfe s ASP 35 Ca 0.38 0.04 0.06 0.00 0.71 0.00 0.00 52.55 53.75 1wfe s ASP 35 Cb 0.37 -1.44 -0.06 0.00 1.01 0.00 0.00 42.92 42.81 1wfe s ASP 35 CO -0.04 0.28 -0.06 0.68 0.21 0.00 0.00 175.17 176.24 1wfe s VAL 36 N -1.12 1.58 0.05 -1.27 -7.23 -1.26 -2.90 120.40 108.26 1wfe s VAL 36 Ca 0.21 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.18 1wfe s VAL 36 Cb -0.12 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 1wfe s VAL 36 CO 0.11 -0.34 0.14 -1.61 -0.31 0.00 0.00 175.10 173.10 1wfe s GLU 37 N -3.73 0.69 0.25 4.82 0.41 -1.18 -4.89 118.70 115.06 1wfe s GLU 37 Ca 0.28 -0.79 -0.03 0.00 -0.41 0.00 0.00 54.97 54.02 1wfe s GLU 37 Cb 0.03 0.27 0.46 0.00 -1.78 0.00 0.00 34.13 33.12 1wfe s GLU 37 CO 0.11 -0.19 1.76 -0.07 -0.49 0.00 0.00 175.26 176.38 1wfe h LEU 38 N 3.34 0.47-10.53 1.80 3.38 -1.94 -2.39 115.31 109.45 1wfe h LEU 38 Ca -0.33 0.08 -0.44 0.00 0.09 0.00 0.00 57.88 57.29 1wfe h LEU 38 Cb 1.19 0.01 0.05 0.00 0.09 0.00 0.00 40.66 42.00 1wfe h LEU 38 CO 0.52 0.22 -0.02 0.68 0.09 0.00 0.00 178.44 179.93 1wfe s VAL 39 N -6.01 2.59 -0.47 1.22 -7.23 -1.26 -4.42 120.40 104.83 1wfe s VAL 39 Ca -0.12 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.43 1wfe s VAL 39 Cb 0.20 -2.94 0.12 0.00 0.56 0.00 0.00 36.38 34.33 1wfe s VAL 39 CO 0.77 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.77 1wfe s ALA 40 N -2.81 3.06 -0.56 1.32 0.00 -1.26 -4.50 121.76 117.01 1wfe s ALA 40 Ca 0.58 -3.02 -0.27 0.00 0.00 0.00 0.00 51.96 49.26 1wfe s ALA 40 Cb -0.10 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 1wfe s ALA 40 CO 0.39 -1.95 1.87 0.08 0.00 0.00 0.00 175.76 176.15 1wfe s VAL 41 N 0.06 3.37 -0.08 0.00 1.01 -1.24 -4.91 120.40 118.61 1wfe s VAL 41 Ca 0.16 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1wfe s VAL 41 Cb -0.24 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1wfe s VAL 41 CO -0.02 -0.79 0.28 -0.63 0.00 0.00 0.00 175.10 173.95 1wfe s ILE 42 N 8.80 5.27 -0.18 2.22 -1.09 -1.26 -0.70 121.20 134.26 1wfe s ILE 42 Ca 0.70 0.54 -0.24 0.00 -2.23 0.00 0.00 60.65 59.43 1wfe s ILE 42 Cb -0.14 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1wfe s ILE 42 CO 0.23 0.55 0.76 0.00 -1.23 0.00 0.00 174.94 175.25 1wfe n PRO 44 N 5.17 0.49 -0.02 0.00 -0.04 -1.26 0.10 135.00 139.45 1wfe n PRO 44 Ca 0.02 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.43 1wfe n PRO 44 Cb 0.49 -1.19 -0.02 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 -0.69 0.00 1.00 0.54 4.02 -1.26 -4.75 117.16 116.01 1wfe n TYR 45 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.04 1wfe n TYR 45 Cb 0.02 -0.25 0.02 0.00 -0.02 0.00 0.00 39.34 39.10 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 -1.50 -6.35 -4.54 0.00 1.02 0.29 -4.97 120.64 104.59 1wfe n GLU 47 Ca 0.05 0.78 -0.26 0.00 -0.02 0.00 0.00 57.16 57.70 1wfe n GLU 47 Cb 0.33 -5.69 -0.14 0.00 -0.02 0.00 0.00 31.44 25.92 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 -5.68 1.38 -0.08 3.49 1.02 -1.25 -4.79 119.74 113.83 1wfe s LYS 48 Ca 0.10 -1.10 -0.24 0.00 0.02 0.00 0.00 55.97 54.75 1wfe s LYS 48 Cb -0.05 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 1wfe s LYS 48 CO 0.75 0.40 0.72 1.21 -0.92 0.00 0.00 175.35 177.51 1wfe s ASN 49 N -1.55 6.99 0.35 2.83 2.47 -1.26 -1.34 114.94 123.43 1wfe s ASN 49 Ca 0.09 1.19 0.04 0.00 0.42 0.00 0.00 52.86 54.60 1wfe s ASN 49 Cb -0.10 -2.42 -0.03 0.00 -1.45 0.00 0.00 41.25 37.25 1wfe s ASN 49 CO 0.03 -0.15 0.17 -0.36 -3.72 0.00 0.00 177.10 173.07 1wfe s PHE 50 N 0.97 1.70 0.13 0.43 0.08 0.12 0.29 117.98 121.70 1wfe s PHE 50 Ca 0.38 -1.38 -0.07 0.00 0.12 0.00 0.00 56.93 55.97 1wfe s PHE 50 Cb -0.18 -0.95 -0.06 0.00 -0.57 0.00 0.00 43.02 41.26 1wfe s PHE 50 CO 0.18 -0.49 0.40 0.00 -0.10 0.00 0.00 175.22 175.21 1wfe n LEU 52 N 0.40 0.24 -0.09 0.00 7.99 -1.26 0.23 117.00 124.50 1wfe n LEU 52 Ca -0.04 1.27 -0.10 0.00 -0.01 0.00 0.00 56.01 57.13 1wfe n LEU 52 Cb 0.52 -0.61 -0.03 0.00 -0.11 0.00 0.00 43.42 43.20 1wfe n LEU 52 CO 0.46 -1.41 0.89 0.03 -1.51 0.00 0.00 177.39 175.84 1wfe h ARG 53 N 0.00 0.43 -0.87 3.23 -0.00 -2.02 -2.89 114.38 112.26 1wfe h ARG 53 Ca 0.64 -0.08 -0.48 0.00 -0.50 0.00 0.00 59.98 59.56 1wfe h ARG 53 Cb 1.66 -0.07 -0.27 0.00 0.00 0.00 0.00 29.97 31.29 1wfe h ARG 53 CO -0.60 0.45 0.51 0.72 0.00 0.00 0.00 179.97 181.06 1wfe n HIS 54 N -4.75 2.72 0.03 3.04 8.25 0.62 -4.52 115.22 120.60 1wfe n HIS 54 Ca -0.02 -2.01 -0.12 0.00 -0.26 0.00 0.00 57.72 55.31 1wfe n HIS 54 Cb 0.13 -0.93 -0.00 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 1.19 0.53 0.00 -0.41 0.11 -0.16 -3.40 114.38 112.24 1wfe h ARG 55 Ca 0.55 -0.43 -0.15 0.00 0.10 0.00 0.00 59.98 60.05 1wfe h ARG 55 Cb 2.28 0.09 0.09 0.00 1.11 0.00 0.00 29.97 33.54 1wfe h ARG 55 CO 1.04 1.06 -0.07 0.72 0.10 0.00 0.00 179.97 182.82 1wfe n HIS 56 N -3.87 -2.51 -0.12 4.08 8.25 -1.26 -4.89 115.22 114.89 1wfe n HIS 56 Ca -0.05 -0.28 -0.26 0.00 -0.26 0.00 0.00 57.72 56.87 1wfe n HIS 56 Cb 0.72 -0.62 -0.11 0.00 1.12 0.00 0.00 29.99 31.10 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 -3.00 0.60 -0.51 -0.41 6.02 -1.26 -4.37 117.38 114.45 1wfe n GLN 57 Ca 0.06 0.33 -0.05 0.00 -0.01 0.00 0.00 57.00 57.32 1wfe n GLN 57 Cb 0.25 -1.57 0.02 0.00 1.02 0.00 0.00 30.24 29.96 1wfe n GLN 57 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1wfe n SER 58 N -4.13 4.91 0.00 1.08 2.88 -1.26 -2.84 113.62 114.26 1wfe n SER 58 Ca -0.47 -2.53 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 1wfe n SER 58 Cb 0.86 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1wfe n SER 58 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wfe n ASP 59 N 0.80 2.69 -1.58 -3.46 5.75 -1.26 -4.77 116.55 114.72 1wfe n ASP 59 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1wfe n ASP 59 Cb 0.58 0.14 0.30 0.00 -1.03 0.00 0.00 41.12 41.11 1wfe n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wfe n HIS 60 N -1.77 1.83 -3.82 2.11 1.44 -1.22 -4.94 115.22 108.84 1wfe n HIS 60 Ca 0.00 -1.09 -0.24 0.00 -2.01 0.00 0.00 57.72 54.37 1wfe n HIS 60 Cb 0.30 -0.54 0.01 0.00 0.12 0.00 0.00 29.99 29.89 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 -0.26 -1.61 -4.68 4.39 2.03 -1.25 -4.77 116.55 110.40 1wfe n ASP 61 Ca 0.33 -0.87 -0.61 0.00 0.52 0.00 0.00 54.79 54.16 1wfe n ASP 61 Cb 1.19 -3.71 -0.08 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 5.52 0.65 -0.63 0.00 4.11 -1.93 -2.76 114.58 119.54 1wfe h GLU 63 Ca -0.46 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 58.81 1wfe h GLU 63 Cb 1.35 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1wfe h GLU 63 CO 0.90 0.64 0.32 0.87 0.07 0.00 0.00 179.01 181.81 1wfe h LYS 64 N 0.62 0.89 -6.02 1.06 1.79 -1.90 -3.45 116.57 109.56 1wfe h LYS 64 Ca 0.13 -0.12 -0.56 0.00 -2.18 0.00 0.00 60.65 57.93 1wfe h LYS 64 Cb 0.34 -0.17 0.23 0.00 -1.58 0.00 0.00 32.23 31.05 1wfe h LYS 64 CO 0.01 0.70 -1.70 1.28 -1.08 0.00 0.00 179.45 178.66 1wfe n LEU 65 N -4.52 -5.44 -2.88 2.94 4.77 -1.04 -4.84 117.00 105.99 1wfe n LEU 65 Ca 0.04 0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.91 1wfe n LEU 65 Cb 0.11 -0.79 0.04 0.00 -2.33 0.00 0.00 43.42 40.45 1wfe n LEU 65 CO 0.38 -5.75 1.47 1.21 -1.33 0.00 0.00 177.39 173.37 1wfe n GLU 66 N 2.20 2.79 -2.38 3.23 2.13 -1.26 -5.01 120.64 122.34 1wfe n GLU 66 Ca 0.00 -3.57 -0.37 0.00 0.66 0.00 0.00 57.16 53.88 1wfe n GLU 66 Cb 0.54 -2.27 -0.02 0.00 0.27 0.00 0.00 31.44 29.96 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 -5.10 3.36 0.05 6.31 1.01 -1.26 -5.02 120.40 119.75 1wfe s VAL 67 Ca 0.52 1.07 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 1wfe s VAL 67 Cb 0.44 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 1wfe s VAL 67 CO -0.40 0.03 0.52 0.00 0.00 0.00 0.00 175.10 175.25 1wfe s ALA 68 N -1.54 3.62 -0.97 5.51 0.00 -1.26 -4.34 121.76 122.78 1wfe s ALA 68 Ca 0.59 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1wfe s ALA 68 Cb -0.27 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1wfe s ALA 68 CO 0.33 0.42 0.20 1.17 0.00 0.00 0.00 175.76 177.88 1wfe n LYS 69 N 1.79 -0.74 0.00 0.00 3.00 -1.26 -4.72 118.16 116.23 1wfe n LYS 69 Ca -0.11 -0.02 0.07 0.00 -0.00 0.00 0.00 58.31 58.25 1wfe n LYS 69 Cb 0.51 -1.99 0.43 0.00 0.00 0.00 0.00 35.03 33.98 1wfe n LYS 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1wfe n PRO 70 N -3.61 0.49 -1.13 1.64 -0.04 -1.26 -3.48 135.00 127.61 1wfe n PRO 70 Ca -0.16 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.06 1wfe n PRO 70 Cb 0.44 -1.46 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1wfe n PRO 70 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wfe n ARG 71 N -0.96 2.15 -1.80 0.54 1.85 -1.26 -4.55 116.66 112.62 1wfe n ARG 71 Ca 0.11 -2.19 -0.35 0.00 -1.00 0.00 0.00 57.85 54.42 1wfe n ARG 71 Cb 0.05 -1.89 0.05 0.00 -1.05 0.00 0.00 32.46 29.62 1wfe n ARG 71 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1wfe n MET 72 N 0.07 2.92 -3.65 2.89 1.56 -1.23 -4.84 117.12 114.83 1wfe n MET 72 Ca 0.42 -3.65 -0.29 0.00 -0.27 0.00 0.00 57.70 53.91 1wfe n MET 72 Cb 0.58 -2.28 -0.13 0.00 2.15 0.00 0.00 33.22 33.54 1wfe n MET 72 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1wfe s ALA 73 N -3.87 1.67 -0.40 -5.12 0.00 -1.26 -5.06 121.76 107.71 1wfe s ALA 73 Ca 0.56 -2.15 0.03 0.00 0.00 0.00 0.00 51.96 50.39 1wfe s ALA 73 Cb 0.46 -1.74 0.11 0.00 0.00 0.00 0.00 23.12 21.95 1wfe s ALA 73 CO -0.20 -1.97 0.15 0.00 0.00 0.00 0.00 175.76 173.75 1wfe s ALA 74 N 0.89 2.55 -0.08 0.00 0.00 -1.26 -5.08 121.76 118.77 1wfe s ALA 74 Ca 0.15 -2.55 -0.05 0.00 0.00 0.00 0.00 51.96 49.52 1wfe s ALA 74 Cb -0.22 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.01 1wfe s ALA 74 CO -0.07 -1.85 0.20 -0.08 0.00 0.00 0.00 175.76 173.97 1wfe s THR 75 N 0.64 -0.03 -0.31 0.00 -1.32 -1.26 -5.13 115.64 108.23 1wfe s THR 75 Ca 0.14 0.13 -0.01 0.00 -1.21 0.00 0.00 61.69 60.73 1wfe s THR 75 Cb -0.22 -0.31 0.06 0.00 -1.51 0.00 0.00 72.50 70.52 1wfe s THR 75 CO -0.08 0.05 0.01 -1.58 -2.21 0.00 0.00 174.62 170.81 1wfe s GLN 76 N 0.97 2.34 -0.28 7.08 0.74 -1.26 -5.05 119.66 124.20 1wfe s GLN 76 Ca -0.07 -1.34 -0.03 0.00 0.05 0.00 0.00 55.36 53.97 1wfe s GLN 76 Cb -0.09 -3.19 0.16 0.00 1.10 0.00 0.00 33.01 31.00 1wfe s GLN 76 CO -0.06 -0.66 0.53 -1.59 -0.55 0.00 0.00 175.29 172.96 1wfe s LYS 77 N 1.22 0.49 0.02 1.67 -2.85 -1.26 -5.13 119.74 113.90 1wfe s LYS 77 Ca -0.04 0.93 -0.36 0.00 -1.00 0.00 0.00 55.97 55.50 1wfe s LYS 77 Cb -0.20 0.29 -0.15 0.00 -2.06 0.00 0.00 37.83 35.71 1wfe s LYS 77 CO -0.02 -0.56 1.53 -0.11 0.10 0.00 0.00 175.35 176.29 1wfe n LEU 78 N 5.41 2.34 -4.17 2.77 0.00 -1.26 -4.96 117.00 117.13 1wfe n LEU 78 Ca -0.03 1.09 -0.34 0.00 0.00 0.00 0.00 56.01 56.73 1wfe n LEU 78 Cb 0.50 -1.26 -0.15 0.00 0.00 0.00 0.00 43.42 42.51 1wfe n LEU 78 CO 0.03 -0.64 -0.48 0.68 0.00 0.00 0.00 177.39 176.98 1wfe s VAL 79 N 1.52 2.46 -0.08 1.96 -7.23 -1.26 -5.10 120.40 112.67 1wfe s VAL 79 Ca 0.86 -0.87 -0.07 0.00 -1.81 0.00 0.00 61.98 60.10 1wfe s VAL 79 Cb -0.88 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1wfe s VAL 79 CO 0.48 0.46 0.22 0.00 -0.31 0.00 0.00 175.10 175.95 1wfe s ARG 80 N 1.33 0.24 -0.16 4.82 1.04 -1.26 -5.16 118.95 119.81 1wfe s ARG 80 Ca 0.04 0.32 -0.10 0.00 -1.04 0.00 0.00 55.73 54.95 1wfe s ARG 80 Cb -0.14 0.10 0.05 0.00 -2.04 0.00 0.00 34.95 32.92 1wfe s ARG 80 CO -0.10 -0.04 0.40 -1.54 -0.04 0.00 0.00 175.30 173.99 1wfe s SER 81 N 0.23 -0.49 0.00 -2.89 1.04 -1.26 -5.16 113.70 105.17 1wfe s SER 81 Ca -0.01 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1wfe s SER 81 Cb -0.02 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1wfe s SER 81 CO -0.01 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1wfe n GLY 82 N 3.95 -3.45 3.77 7.32 0.00 -1.26 -4.92 105.19 110.61 1wfe n GLY 82 Ca -0.21 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1wfe n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfe s PRO 83 N 0.00 3.25 0.10 1.61 0.04 -1.26 -5.06 135.00 133.68 1wfe s PRO 83 Ca 0.00 1.57 0.08 0.00 0.04 0.00 0.00 61.00 62.69 1wfe s PRO 83 Cb 0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1wfe s PRO 83 CO 0.00 -0.93 -0.21 0.45 0.04 0.00 0.00 177.00 176.35 1wfe s SER 84 N -1.93 2.60 -0.81 6.66 0.15 -1.26 -5.07 113.70 114.05 1wfe s SER 84 Ca 0.72 -0.69 -0.25 0.00 0.70 0.00 0.00 55.95 56.42 1wfe s SER 84 Cb -0.23 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 1wfe s SER 84 CO 0.30 0.07 1.81 -0.55 1.20 0.00 0.00 173.24 176.06 1wfe s SER 85 N -1.92 5.43 0.00 5.45 0.15 -1.26 -5.14 113.70 116.41 1wfe s SER 85 Ca 0.07 -0.42 0.09 0.00 0.70 0.00 0.00 55.95 56.39 1wfe s SER 85 Cb -0.10 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.73 1wfe s SER 85 CO 0.04 -2.41 0.79 0.61 1.20 0.00 0.00 173.24 173.47