#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x64 s SER 2 N 0.00 3.33 0.41 1.61 1.04 -1.26 -5.12 113.70 113.71 1x64 s SER 2 Ca 0.00 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.64 1x64 s SER 2 Cb 0.00 -1.31 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 1x64 s SER 2 CO 0.00 -0.10 0.06 -0.44 0.98 0.00 0.00 173.24 173.73 1x64 s SER 3 N 1.36 3.18 -0.27 7.02 0.01 -1.26 -5.13 113.70 118.60 1x64 s SER 3 Ca 0.00 -1.53 -0.03 0.00 1.31 0.00 0.00 55.95 55.70 1x64 s SER 3 Cb -0.15 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.29 1x64 s SER 3 CO -0.09 -0.74 -0.01 -0.83 0.41 0.00 0.00 173.24 171.98 1x64 s GLY 4 N -3.66 1.70 -0.22 3.44 0.00 -1.26 -5.06 107.32 102.26 1x64 s GLY 4 Ca 0.25 -1.54 -0.04 0.00 0.00 0.00 0.00 44.72 43.39 1x64 s GLY 4 CO 0.13 0.60 0.38 -0.45 0.00 0.00 0.00 173.10 173.76 1x64 s SER 5 N 1.35 0.09 0.28 1.64 0.15 -1.26 -5.16 113.70 110.79 1x64 s SER 5 Ca -0.01 0.51 0.09 0.00 0.70 0.00 0.00 55.95 57.24 1x64 s SER 5 Cb -0.18 1.16 -0.05 0.00 -1.71 0.00 0.00 66.02 65.24 1x64 s SER 5 CO -0.02 -0.27 -0.12 -0.44 1.20 0.00 0.00 173.24 173.58 1x64 s SER 6 N 2.56 3.17 0.00 5.45 0.01 -1.26 -5.07 113.70 118.56 1x64 s SER 6 Ca 0.07 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1x64 s SER 6 Cb -0.14 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1x64 s SER 6 CO -0.14 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1x64 n GLY 7 N -0.60 -2.49 2.70 3.44 0.00 -1.26 -5.04 105.19 101.94 1x64 n GLY 7 Ca -0.06 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 1x64 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x64 s VAL 8 N -1.80 0.14 0.02 1.61 1.01 -1.26 -5.14 120.40 114.98 1x64 s VAL 8 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1x64 s VAL 8 Cb 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1x64 s VAL 8 CO 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 175.10 175.10 1x64 s ARG 9 N 2.06 0.49 0.07 2.72 3.03 -1.26 -5.16 118.95 120.89 1x64 s ARG 9 Ca 0.04 -0.43 0.05 0.00 2.03 0.00 0.00 55.73 57.42 1x64 s ARG 9 Cb -0.13 -0.39 -0.03 0.00 -1.03 0.00 0.00 34.95 33.37 1x64 s ARG 9 CO -0.06 0.09 -0.14 0.00 -1.13 0.00 0.00 175.30 174.07 1x64 s ALA 10 N -0.64 1.13 0.71 7.88 0.00 -1.26 -5.15 121.76 124.44 1x64 s ALA 10 Ca -0.03 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 1x64 s ALA 10 Cb -0.05 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1x64 s ALA 10 CO 0.00 0.16 1.10 -1.25 0.00 0.00 0.00 175.76 175.77 1x64 s PRO 11 N -1.65 2.53 0.28 0.00 0.04 -1.26 -4.92 135.00 130.02 1x64 s PRO 11 Ca -0.02 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.31 1x64 s PRO 11 Cb -0.10 -1.92 0.67 0.00 0.04 0.00 0.00 34.50 33.19 1x64 s PRO 11 CO 0.02 -1.45 1.66 -0.39 0.04 0.00 0.00 177.00 176.88 1x64 h VAL 12 N -0.54 0.37 -5.41 -0.36 -1.51 -2.07 -3.44 116.25 103.30 1x64 h VAL 12 Ca -0.45 -0.08 -0.21 0.00 -1.23 0.00 0.00 66.70 64.73 1x64 h VAL 12 Cb 1.24 0.10 -0.09 0.00 -2.13 0.00 0.00 31.29 30.41 1x64 h VAL 12 CO 0.53 0.04 -0.30 1.07 -1.23 0.00 0.00 177.57 177.68 1x64 n THR 13 N -5.19 -0.20 -2.77 7.19 5.66 -1.26 -4.85 114.28 112.86 1x64 n THR 13 Ca 0.20 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.78 1x64 n THR 13 Cb 0.64 -0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 68.86 1x64 n THR 13 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1x64 s LYS 14 N -5.61 4.40 0.39 1.09 3.01 -1.26 -5.00 119.74 116.76 1x64 s LYS 14 Ca 0.23 1.25 -0.26 0.00 -1.01 0.00 0.00 55.97 56.18 1x64 s LYS 14 Cb -0.13 -3.54 -0.11 0.00 -1.01 0.00 0.00 37.83 33.04 1x64 s LYS 14 CO 0.28 -0.26 1.16 1.55 0.51 0.00 0.00 175.35 178.59 1x64 n VAL 15 N 4.48 2.36 -4.10 3.17 3.14 -1.26 -5.01 118.33 121.10 1x64 n VAL 15 Ca 0.07 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 60.85 1x64 n VAL 15 Cb 0.49 -1.37 -0.09 0.00 -1.06 0.00 0.00 33.84 31.81 1x64 n VAL 15 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1x64 s HIS 16 N -1.19 0.75 -1.28 1.45 2.46 -1.26 -5.13 115.29 111.09 1x64 s HIS 16 Ca 0.60 -1.12 0.00 0.00 0.47 0.00 0.00 55.06 55.02 1x64 s HIS 16 Cb -0.56 -0.37 0.00 0.00 -0.13 0.00 0.00 32.58 31.52 1x64 s HIS 16 CO 0.59 -0.57 0.00 0.41 -2.47 0.00 0.00 174.74 172.69 1x64 n GLY 17 N -0.13 0.45 0.00 1.59 0.00 -1.26 -5.16 105.19 100.69 1x64 n GLY 17 Ca -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1x64 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x64 n GLY 18 N 0.00 2.40 3.72 -0.02 0.00 -1.26 -5.11 105.19 104.92 1x64 n GLY 18 Ca 0.00 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1x64 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 19 N -2.00 3.43 -0.38 4.61 0.00 -1.26 -4.90 121.76 121.26 1x64 s ALA 19 Ca 0.00 0.90 -0.40 0.00 0.00 0.00 0.00 51.96 52.46 1x64 s ALA 19 Cb 0.00 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 1x64 s ALA 19 CO 0.00 -0.45 2.00 0.41 0.00 0.00 0.00 175.76 177.72 1x64 n GLY 20 N 3.15 0.40 3.69 0.00 0.00 -1.26 -4.90 105.19 106.27 1x64 n GLY 20 Ca 0.09 0.99 -0.38 0.00 0.00 0.00 0.00 46.02 46.72 1x64 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 21 N 5.51 6.51 -0.10 1.61 0.15 -1.26 -5.07 113.70 121.05 1x64 s SER 21 Ca 1.09 0.60 0.02 0.00 0.70 0.00 0.00 55.95 58.35 1x64 s SER 21 Cb -1.15 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 60.90 1x64 s SER 21 CO 0.61 -0.03 -0.15 0.00 1.20 0.00 0.00 173.24 174.87 1x64 s ALA 22 N 1.01 2.59 0.33 5.45 0.00 -1.26 -5.13 121.76 124.75 1x64 s ALA 22 Ca 0.21 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.32 1x64 s ALA 22 Cb -0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1x64 s ALA 22 CO 0.08 0.37 0.05 -0.65 0.00 0.00 0.00 175.76 175.61 1x64 s GLN 23 N -0.07 2.17 -0.17 0.00 -1.52 -1.26 -5.03 119.66 113.79 1x64 s GLN 23 Ca -0.03 -1.67 0.14 0.00 -1.95 0.00 0.00 55.36 51.85 1x64 s GLN 23 Cb -0.14 -2.01 0.69 0.00 -0.22 0.00 0.00 33.01 31.32 1x64 s GLN 23 CO 0.04 0.15 1.57 0.54 -0.25 0.00 0.00 175.29 177.33 1x64 n ARG 24 N -1.00 4.02 -1.87 2.91 3.00 -1.26 -4.97 116.66 117.49 1x64 n ARG 24 Ca -0.04 -2.66 -0.34 0.00 -0.01 0.00 0.00 57.85 54.80 1x64 n ARG 24 Cb 0.62 -2.04 0.04 0.00 0.00 0.00 0.00 32.46 31.08 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x64 s MET 25 N -2.25 2.89 0.44 5.56 0.23 -1.26 -4.99 119.30 119.91 1x64 s MET 25 Ca 0.47 1.51 -0.24 0.00 -1.03 0.00 0.00 55.69 56.39 1x64 s MET 25 Cb 0.33 -1.95 -0.08 0.00 -1.53 0.00 0.00 34.83 31.61 1x64 s MET 25 CO 0.17 -1.20 1.17 -1.25 -2.03 0.00 0.00 175.02 171.89 1x64 s PRO 26 N -3.83 3.86 -0.26 3.16 0.04 -1.26 -4.85 135.00 131.86 1x64 s PRO 26 Ca 0.70 1.82 -0.09 0.00 0.04 0.00 0.00 61.00 63.47 1x64 s PRO 26 Cb -0.23 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 1x64 s PRO 26 CO 0.38 -0.48 0.12 -1.17 0.04 0.00 0.00 177.00 175.88 1x64 s LEU 27 N -2.83 3.69 -0.19 -3.56 1.98 -1.26 -2.36 118.68 114.15 1x64 s LEU 27 Ca 0.61 -0.11 -0.37 0.00 -2.89 0.00 0.00 54.13 51.37 1x64 s LEU 27 Cb -0.30 -2.00 -0.13 0.00 0.66 0.00 0.00 46.19 44.42 1x64 s LEU 27 CO 0.37 -0.03 1.86 0.00 -1.89 0.00 0.00 176.35 176.66 1x64 n ASP 29 N 6.52 0.00 -0.10 0.00 8.00 -1.21 0.44 116.55 130.19 1x64 n ASP 29 Ca 0.26 -0.91 -0.14 0.00 0.71 0.00 0.00 54.79 54.70 1x64 n ASP 29 Cb 0.23 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1x64 n LYS 30 N -0.96 0.54 -0.31 -1.24 3.00 -1.26 -4.64 118.16 113.29 1x64 n LYS 30 Ca 0.18 0.29 0.07 0.00 -0.00 0.00 0.00 58.31 58.86 1x64 n LYS 30 Cb 0.08 -1.50 0.21 0.00 0.00 0.00 0.00 35.03 33.82 1x64 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x64 n GLY 32 N -0.02 -0.19 3.15 0.00 0.00 0.17 -4.90 105.19 103.40 1x64 n GLY 32 Ca 0.16 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 33 N -3.80 2.67 0.27 1.61 0.15 -1.24 -4.84 113.70 108.51 1x64 s SER 33 Ca 0.25 -0.48 -0.25 0.00 0.70 0.00 0.00 55.95 56.17 1x64 s SER 33 Cb -0.14 -1.22 -0.16 0.00 -1.71 0.00 0.00 66.02 62.78 1x64 s SER 33 CO 0.89 0.11 0.34 0.61 1.20 0.00 0.00 173.24 176.39 1x64 n GLY 34 N 3.69 -2.07 3.28 9.45 0.00 -1.26 -3.03 105.19 115.24 1x64 n GLY 34 Ca -0.20 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1x64 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x64 s ILE 35 N -1.23 3.03 -0.18 -0.61 1.01 -1.00 -4.84 121.20 117.39 1x64 s ILE 35 Ca 0.60 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1x64 s ILE 35 Cb -0.80 -2.34 0.09 0.00 0.01 0.00 0.00 42.46 39.42 1x64 s ILE 35 CO 0.57 0.47 0.27 -0.69 0.00 0.00 0.00 174.94 175.55 1x64 s VAL 36 N 1.24 -0.41 0.00 2.92 1.01 -1.26 -4.49 120.40 119.41 1x64 s VAL 36 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1x64 s VAL 36 Cb -0.14 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1x64 s VAL 36 CO -0.04 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1x64 n GLY 37 N 5.34 3.34 3.18 4.51 0.00 -1.26 -5.02 105.19 115.28 1x64 n GLY 37 Ca -0.05 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1x64 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 38 N 0.00 -0.93 0.17 4.61 0.00 -1.26 -5.16 121.76 119.18 1x64 s ALA 38 Ca 0.00 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.33 1x64 s ALA 38 Cb 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 1x64 s ALA 38 CO 0.00 -0.58 -0.09 0.54 0.00 0.00 0.00 175.76 175.63 1x64 s VAL 39 N 2.21 1.23 -0.28 0.00 0.11 -1.26 -4.20 120.40 118.20 1x64 s VAL 39 Ca -0.03 -2.08 -0.02 0.00 -2.93 0.00 0.00 61.98 56.92 1x64 s VAL 39 Cb -0.11 -1.95 0.09 0.00 -1.53 0.00 0.00 36.38 32.88 1x64 s VAL 39 CO -0.11 -0.66 0.09 -0.69 -3.33 0.00 0.00 175.10 170.40 1x64 s VAL 40 N -3.29 0.66 -0.22 2.04 1.01 0.36 -4.81 120.40 116.15 1x64 s VAL 40 Ca 0.19 -1.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1x64 s VAL 40 Cb 0.03 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1x64 s VAL 40 CO 0.03 -0.59 0.01 -0.75 0.00 0.00 0.00 175.10 173.80 1x64 s LYS 41 N 1.74 3.58 0.00 2.72 2.20 -1.26 0.56 119.74 129.28 1x64 s LYS 41 Ca 0.07 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1x64 s LYS 41 Cb -0.17 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1x64 s LYS 41 CO -0.24 -0.07 0.02 0.00 -0.36 0.00 0.00 175.35 174.70 1x64 n ALA 42 N 4.50 -0.00 -1.07 3.13 0.00 -1.19 -4.95 120.51 120.93 1x64 n ALA 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x64 n ALA 42 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1x64 n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x64 n ARG 43 N -0.58 0.00 -0.00 0.00 1.74 -1.26 -4.94 116.66 111.61 1x64 n ARG 43 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1x64 n ARG 43 Cb 0.00 -0.03 -0.02 0.00 -1.02 0.00 0.00 32.46 31.39 1x64 n ARG 43 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1x64 n ASP 44 N -1.33 4.50 -4.93 0.55 2.03 -1.26 -5.05 116.55 111.06 1x64 n ASP 44 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1x64 n ASP 44 Cb 0.00 0.96 0.06 0.00 -0.72 0.00 0.00 41.12 41.42 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1x64 s LYS 45 N -2.13 2.34 0.05 -0.67 1.02 -1.26 -5.10 119.74 113.99 1x64 s LYS 45 Ca -0.01 -0.25 0.05 0.00 0.02 0.00 0.00 55.97 55.78 1x64 s LYS 45 Cb 0.01 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1x64 s LYS 45 CO 0.09 -1.12 -0.14 0.71 -0.92 0.00 0.00 175.35 173.97 1x64 s TYR 46 N -3.17 1.24 -0.05 3.18 1.51 -1.26 -3.20 117.35 115.59 1x64 s TYR 46 Ca 0.59 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 56.16 1x64 s TYR 46 Cb -0.11 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1x64 s TYR 46 CO 0.44 0.05 0.24 1.03 -1.11 0.00 0.00 175.55 176.20 1x64 s ARG 47 N -1.33 0.43 0.99 -0.62 1.81 0.19 -3.35 118.95 117.07 1x64 s ARG 47 Ca 0.01 0.05 -0.12 0.00 -1.72 0.00 0.00 55.73 53.94 1x64 s ARG 47 Cb -0.09 0.20 0.12 0.00 -0.45 0.00 0.00 34.95 34.74 1x64 s ARG 47 CO 0.02 -0.09 0.73 0.72 -0.68 0.00 0.00 175.30 175.99 1x64 n HIS 48 N 2.19 -0.56 0.46 -0.53 8.25 -1.26 0.13 115.22 123.91 1x64 n HIS 48 Ca -0.17 0.23 0.08 0.00 -0.26 0.00 0.00 57.72 57.60 1x64 n HIS 48 Cb 0.57 -1.83 0.35 0.00 1.12 0.00 0.00 29.99 30.20 1x64 n HIS 48 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1x64 n PRO 49 N -3.19 0.05 -0.01 -0.41 -0.04 -1.26 -2.35 135.00 127.80 1x64 n PRO 49 Ca 0.07 0.30 -0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1x64 n PRO 49 Cb 0.54 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1x64 n PRO 49 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x64 n GLU 50 N -1.68 2.59 0.07 0.54 0.28 -1.26 -4.66 120.64 116.52 1x64 n GLU 50 Ca 0.03 -0.01 -0.05 0.00 -0.16 0.00 0.00 57.16 56.97 1x64 n GLU 50 Cb 0.18 -1.06 0.13 0.00 1.43 0.00 0.00 31.44 32.12 1x64 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x64 n PHE 52 N -3.92 1.20 -3.83 0.00 7.35 -0.99 -4.83 117.46 112.44 1x64 n PHE 52 Ca -0.02 0.22 -0.07 0.00 -0.76 0.00 0.00 57.45 56.82 1x64 n PHE 52 Cb 0.59 -2.54 -0.00 0.00 0.35 0.00 0.00 39.48 37.88 1x64 n PHE 52 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x64 s VAL 53 N 10.25 0.00 1.03 -2.13 -7.23 -1.26 -3.10 120.40 117.96 1x64 s VAL 53 Ca 1.12 -0.97 -0.12 0.00 -1.81 0.00 0.00 61.98 60.20 1x64 s VAL 53 Cb -0.64 -2.39 0.21 0.00 0.56 0.00 0.00 36.38 34.12 1x64 s VAL 53 CO 0.38 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.24 1x64 n ALA 55 N -4.35 3.75 -0.11 0.00 0.00 -1.17 -2.88 120.51 115.75 1x64 n ALA 55 Ca 0.05 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 52.91 1x64 n ALA 55 Cb 0.56 -0.55 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 1x64 n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x64 n ASP 56 N -1.48 2.28 -0.00 0.00 2.03 -1.26 -4.71 116.55 113.41 1x64 n ASP 56 Ca 0.02 -0.08 0.02 0.00 0.52 0.00 0.00 54.79 55.27 1x64 n ASP 56 Cb 0.27 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.27 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x64 n ASN 58 N -1.49 -3.67 -4.86 0.00 5.15 -1.14 -4.90 115.26 104.36 1x64 n ASN 58 Ca -0.00 -0.44 -0.35 0.00 -0.60 0.00 0.00 54.58 53.19 1x64 n ASN 58 Cb 0.10 -3.98 -0.06 0.00 -0.53 0.00 0.00 39.78 35.31 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1x64 s LEU 59 N -5.55 4.35 -0.10 1.20 2.96 -1.26 -4.43 118.68 115.85 1x64 s LEU 59 Ca 0.22 0.90 -0.34 0.00 -0.22 0.00 0.00 54.13 54.69 1x64 s LEU 59 Cb -0.10 -3.06 -0.12 0.00 0.50 0.00 0.00 46.19 43.42 1x64 s LEU 59 CO 0.55 0.16 1.90 -3.20 -1.32 0.00 0.00 176.35 174.44 1x64 n ASN 60 N 0.92 3.41 -0.07 3.68 2.85 -1.26 -0.98 115.26 123.80 1x64 n ASN 60 Ca -0.07 0.94 -0.03 0.00 -0.11 0.00 0.00 54.58 55.30 1x64 n ASN 60 Cb 0.52 -1.37 -0.16 0.00 1.24 0.00 0.00 39.78 40.01 1x64 n ASN 60 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x64 n LEU 61 N 6.91 0.00 -0.11 1.20 4.77 -1.18 -4.16 117.00 124.43 1x64 n LEU 61 Ca 0.23 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 1x64 n LEU 61 Cb 0.30 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1x64 n LEU 61 CO 0.73 0.34 0.34 1.17 -1.33 0.00 0.00 177.39 178.64 1x64 n LYS 62 N -2.58 -0.11 -0.04 3.23 3.00 -1.26 -1.09 118.16 119.31 1x64 n LYS 62 Ca -0.23 0.83 -0.15 0.00 -0.00 0.00 0.00 58.31 58.75 1x64 n LYS 62 Cb 0.96 -1.23 -0.08 0.00 0.00 0.00 0.00 35.03 34.68 1x64 n LYS 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1x64 h GLN 63 N 0.00 0.44 -7.33 1.64 3.07 -1.96 -3.46 115.11 107.51 1x64 h GLN 63 Ca 0.04 -0.32 -0.41 0.00 0.09 0.00 0.00 58.65 58.05 1x64 h GLN 63 Cb 0.10 0.06 0.20 0.00 0.08 0.00 0.00 27.48 27.92 1x64 h GLN 63 CO -0.24 0.94 0.08 0.15 0.09 0.00 0.00 178.83 179.86 1x64 s LYS 64 N -3.81 -1.67 -0.51 0.06 1.02 -0.25 -4.94 119.74 109.63 1x64 s LYS 64 Ca -0.14 -0.07 -0.26 0.00 0.02 0.00 0.00 55.97 55.53 1x64 s LYS 64 Cb 0.05 -1.54 0.03 0.00 -0.52 0.00 0.00 37.83 35.85 1x64 s LYS 64 CO 0.79 -4.01 1.00 0.20 -0.92 0.00 0.00 175.35 172.41 1x64 s GLY 65 N -3.78 1.38 0.68 -3.33 0.00 -1.26 -4.81 107.32 96.20 1x64 s GLY 65 Ca 0.71 -0.89 -0.12 0.00 0.00 0.00 0.00 44.72 44.41 1x64 s GLY 65 CO 0.56 2.16 1.07 -2.52 0.00 0.00 0.00 173.10 174.38 1x64 s TYR 66 N 4.09 2.89 0.28 1.90 -0.85 -1.26 -3.44 117.35 120.96 1x64 s TYR 66 Ca 0.37 1.49 0.03 0.00 -0.52 0.00 0.00 57.07 58.44 1x64 s TYR 66 Cb -0.10 -2.99 -0.04 0.00 0.38 0.00 0.00 41.96 39.21 1x64 s TYR 66 CO 0.25 -1.40 0.18 -0.06 -1.52 0.00 0.00 175.55 172.99 1x64 s PHE 67 N -2.77 1.52 -0.27 -3.49 0.40 -1.02 -4.95 117.98 107.40 1x64 s PHE 67 Ca 0.61 -1.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.48 1x64 s PHE 67 Cb -0.16 -0.75 0.11 0.00 0.51 0.00 0.00 43.02 42.73 1x64 s PHE 67 CO 0.49 -0.62 0.20 -0.06 0.70 0.00 0.00 175.22 175.92 1x64 s PHE 68 N -3.72 -0.05 -0.24 0.36 0.08 -1.26 -3.61 117.98 109.55 1x64 s PHE 68 Ca 0.38 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 57.00 1x64 s PHE 68 Cb 0.05 -0.66 0.06 0.00 -0.57 0.00 0.00 43.02 41.90 1x64 s PHE 68 CO 0.18 -0.81 -0.08 0.08 -0.10 0.00 0.00 175.22 174.49 1x64 s VAL 69 N 2.23 1.71 -1.08 -0.44 1.01 0.18 -4.76 120.40 119.24 1x64 s VAL 69 Ca 0.08 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 1x64 s VAL 69 Cb -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1x64 s VAL 69 CO -0.30 -0.04 0.91 -0.62 0.00 0.00 0.00 175.10 175.05 1x64 n GLU 70 N 4.61 -6.10 -1.44 2.72 -0.58 -1.26 -2.00 120.64 116.60 1x64 n GLU 70 Ca -0.13 0.73 -0.15 0.00 -0.42 0.00 0.00 57.16 57.19 1x64 n GLU 70 Cb 0.44 -5.42 -0.06 0.00 -0.57 0.00 0.00 31.44 25.82 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x64 n GLY 71 N -1.32 1.51 3.26 0.62 0.00 -1.26 -4.97 105.19 103.02 1x64 n GLY 71 Ca -0.17 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 1x64 n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x64 s GLU 72 N -3.23 1.06 0.29 1.61 2.56 -0.85 -5.13 118.70 115.01 1x64 s GLU 72 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 54.97 53.73 1x64 s GLU 72 Cb 0.00 -1.10 -0.05 0.00 2.00 0.00 0.00 34.13 34.98 1x64 s GLU 72 CO 0.00 0.23 0.55 -0.51 -0.56 0.00 0.00 175.26 174.97 1x64 s LEU 73 N -2.22 4.06 0.11 2.70 1.43 -1.26 0.47 118.68 123.96 1x64 s LEU 73 Ca 0.07 0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 1x64 s LEU 73 Cb -0.07 -3.50 0.06 0.00 0.03 0.00 0.00 46.19 42.71 1x64 s LEU 73 CO 0.04 -0.20 0.57 -0.31 0.23 0.00 0.00 176.35 176.67 1x64 s TYR 74 N -2.10 -0.48 0.55 0.29 2.02 -1.24 -3.06 117.35 113.34 1x64 s TYR 74 Ca 0.43 0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 57.40 1x64 s TYR 74 Cb -0.11 0.45 -0.06 0.00 -0.40 0.00 0.00 41.96 41.85 1x64 s TYR 74 CO 0.31 -0.76 0.97 0.00 -1.57 0.00 0.00 175.55 174.50 1x64 h GLU 76 N 0.33 0.26 0.02 0.00 4.81 -1.92 0.68 114.58 118.76 1x64 h GLU 76 Ca -0.46 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1x64 h GLU 76 Cb 1.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1x64 h GLU 76 CO 0.62 0.17 -0.01 1.15 -0.73 0.00 0.00 179.01 180.21 1x64 h THR 77 N 0.26 0.00 0.45 0.32 2.02 -1.92 -1.78 112.91 112.26 1x64 h THR 77 Ca 0.73 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.89 1x64 h THR 77 Cb 1.92 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1x64 h THR 77 CO -0.47 0.00 -0.33 0.45 0.37 0.00 0.00 175.52 175.54 1x64 h HIS 78 N -0.03 -0.87 -0.76 3.16 3.86 -1.78 -2.59 115.15 116.14 1x64 h HIS 78 Ca -0.00 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 1x64 h HIS 78 Cb 0.02 0.32 -0.14 0.00 1.06 0.00 0.00 27.41 28.67 1x64 h HIS 78 CO 0.17 -0.49 -0.32 0.00 0.86 0.00 0.00 177.93 178.16 1x64 h ALA 79 N -0.31 0.14 -0.92 2.45 0.00 0.22 0.42 119.26 121.27 1x64 h ALA 79 Ca -0.04 0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.24 1x64 h ALA 79 Cb 0.65 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 1x64 h ALA 79 CO 0.01 -0.60 0.52 0.00 0.00 0.00 0.00 179.25 179.18 1x64 h ARG 80 N -0.08 0.73 -0.41 0.00 3.08 -1.12 0.29 114.38 116.88 1x64 h ARG 80 Ca 0.30 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 1x64 h ARG 80 Cb 0.57 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1x64 h ARG 80 CO -0.81 0.49 -0.02 0.00 -1.07 0.00 0.00 179.97 178.56 1x64 h ALA 81 N 1.56 1.21 0.10 0.04 0.00 0.16 0.49 119.26 122.82 1x64 h ALA 81 Ca 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1x64 h ALA 81 Cb 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x64 h ALA 81 CO -0.33 0.52 -0.05 0.00 0.00 0.00 0.00 179.25 179.39 1x64 h ARG 82 N 0.63 -0.13 -0.80 0.00 3.08 0.51 -3.31 114.38 114.37 1x64 h ARG 82 Ca 0.13 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1x64 h ARG 82 Cb 0.42 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1x64 h ARG 82 CO 0.02 -0.09 0.00 -2.37 -1.07 0.00 0.00 179.97 176.46 1x64 n THR 83 N -3.72 0.12 -0.22 2.04 5.66 0.81 -4.43 114.28 114.53 1x64 n THR 83 Ca -0.02 -0.07 0.21 0.00 -3.05 0.00 0.00 64.05 61.12 1x64 n THR 83 Cb 0.05 -0.39 0.37 0.00 -1.55 0.00 0.00 70.33 68.82 1x64 n THR 83 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1x64 n SER 84 N -0.05 0.19 0.00 1.09 2.88 0.17 -2.48 113.62 115.41 1x64 n SER 84 Ca 0.01 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1x64 n SER 84 Cb 0.25 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1x64 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x64 n GLY 85 N -1.20 0.00 3.56 0.46 0.00 -1.26 -3.49 105.19 103.26 1x64 n GLY 85 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1x64 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x64 s PRO 86 N 0.00 2.54 -0.28 1.61 0.04 -1.04 -4.84 135.00 133.04 1x64 s PRO 86 Ca 0.00 -0.47 0.01 0.00 0.04 0.00 0.00 61.00 60.58 1x64 s PRO 86 Cb 0.00 -5.10 0.16 0.00 0.04 0.00 0.00 34.50 29.60 1x64 s PRO 86 CO 0.00 -3.50 0.41 -1.12 0.04 0.00 0.00 177.00 172.83 1x64 s SER 87 N 7.73 0.28 -0.11 6.66 0.01 -1.23 -5.02 113.70 122.01 1x64 s SER 87 Ca 0.70 -0.20 -0.16 0.00 1.31 0.00 0.00 55.95 57.59 1x64 s SER 87 Cb -0.05 1.15 -0.27 0.00 0.21 0.00 0.00 66.02 67.06 1x64 s SER 87 CO 0.02 -0.34 0.53 -1.28 0.41 0.00 0.00 173.24 172.59 1x64 h SER 88 N 8.16 0.34 0.00 2.44 0.87 -1.92 -3.52 113.55 119.92 1x64 h SER 88 Ca -0.11 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.61 1x64 h SER 88 Cb 1.13 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1x64 h SER 88 CO 0.26 1.60 0.00 0.61 -0.53 0.00 0.00 176.83 178.77