#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 1.43 0.27 1.61 1.04 -1.26 -5.14 113.70 111.65 1x64 s SER 2 Ca 0.00 -0.20 -0.18 0.00 0.48 0.00 0.00 55.95 56.05 1x64 s SER 2 Cb 0.00 -0.62 0.01 0.00 0.10 0.00 0.00 66.02 65.51 1x64 s SER 2 CO 0.00 -0.05 0.63 -0.44 0.98 0.00 0.00 173.24 174.37 1x64 s SER 3 N 1.03 -0.21 0.37 7.02 0.01 -1.26 -5.19 113.70 115.47 1x64 s SER 3 Ca -0.09 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.50 1x64 s SER 3 Cb -0.14 0.68 -0.01 0.00 0.21 0.00 0.00 66.02 66.75 1x64 s SER 3 CO -0.00 -1.27 0.10 0.61 0.41 0.00 0.00 173.24 173.09 1x64 n GLY 4 N -0.43 3.41 3.50 3.44 0.00 -1.26 -5.17 105.19 108.67 1x64 n GLY 4 Ca -0.04 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 1x64 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 5 N -3.19 -0.42 0.21 1.61 0.01 -1.26 -5.19 113.70 105.47 1x64 s SER 5 Ca 0.15 -0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.28 1x64 s SER 5 Cb 0.01 0.46 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 1x64 s SER 5 CO 0.10 -0.76 0.33 -0.44 0.41 0.00 0.00 173.24 172.89 1x64 s SER 6 N -2.60 0.01 0.00 2.44 0.01 -1.26 -5.16 113.70 107.14 1x64 s SER 6 Ca 0.04 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1x64 s SER 6 Cb -0.01 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1x64 s SER 6 CO -0.09 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1x64 n GLY 7 N -0.30 3.32 3.09 3.44 0.00 -1.26 -5.18 105.19 108.31 1x64 n GLY 7 Ca -0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1x64 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x64 s VAL 8 N 0.00 0.10 -0.20 1.61 -7.23 -1.26 -5.14 120.40 108.28 1x64 s VAL 8 Ca 0.00 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 1x64 s VAL 8 Cb 0.00 -0.54 0.08 0.00 0.56 0.00 0.00 36.38 36.48 1x64 s VAL 8 CO 0.00 -0.46 0.17 -0.60 -0.31 0.00 0.00 175.10 173.90 1x64 s ARG 9 N -1.74 0.14 0.01 4.82 6.06 -1.26 -5.14 118.95 121.84 1x64 s ARG 9 Ca -0.12 0.05 -0.22 0.00 -2.50 0.00 0.00 55.73 52.93 1x64 s ARG 9 Cb -0.06 -1.43 0.05 0.00 0.06 0.00 0.00 34.95 33.56 1x64 s ARG 9 CO -0.00 -0.69 0.50 0.00 -2.50 0.00 0.00 175.30 172.60 1x64 s ALA 10 N 2.24 -1.26 1.17 6.12 0.00 -1.26 -5.18 121.76 123.60 1x64 s ALA 10 Ca 0.05 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 1x64 s ALA 10 Cb -0.16 0.21 0.21 0.00 0.00 0.00 0.00 23.12 23.38 1x64 s ALA 10 CO -0.13 -0.41 0.76 -0.35 0.00 0.00 0.00 175.76 175.63 1x64 n PRO 11 N 0.74 -2.50 -3.60 0.00 -0.04 -1.26 -5.10 135.00 123.24 1x64 n PRO 11 Ca -0.19 -1.22 -0.16 0.00 -0.04 0.00 0.00 63.50 61.89 1x64 n PRO 11 Cb 0.58 -1.14 -0.07 0.00 -0.04 0.00 0.00 33.50 32.84 1x64 n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x64 s VAL 12 N -2.38 0.01 0.46 0.52 0.11 -1.26 -5.17 120.40 112.69 1x64 s VAL 12 Ca 0.49 -0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.41 1x64 s VAL 12 Cb -0.05 -0.91 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 1x64 s VAL 12 CO 0.38 -0.03 0.80 0.28 -3.33 0.00 0.00 175.10 173.20 1x64 s THR 13 N -0.60 4.85 -0.34 5.04 -1.32 -1.26 -4.95 115.64 117.05 1x64 s THR 13 Ca -0.07 0.41 -0.34 0.00 -1.21 0.00 0.00 61.69 60.48 1x64 s THR 13 Cb -0.02 -3.82 -0.10 0.00 -1.51 0.00 0.00 72.50 67.05 1x64 s THR 13 CO 0.06 -0.75 2.22 0.29 -2.21 0.00 0.00 174.62 174.23 1x64 n LYS 14 N -1.93 1.20 -2.73 7.08 5.02 -1.26 -4.92 118.16 120.62 1x64 n LYS 14 Ca 0.02 0.31 -0.35 0.00 -2.02 0.00 0.00 58.31 56.27 1x64 n LYS 14 Cb 0.55 -2.61 -0.06 0.00 -0.02 0.00 0.00 35.03 32.88 1x64 n LYS 14 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x64 s VAL 15 N 7.73 4.15 1.14 -0.18 1.01 -1.26 -5.05 120.40 127.94 1x64 s VAL 15 Ca 1.08 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 64.41 1x64 s VAL 15 Cb -0.75 -3.73 0.26 0.00 0.00 0.00 0.00 36.38 32.16 1x64 s VAL 15 CO 0.46 -0.11 1.12 -1.38 0.00 0.00 0.00 175.10 175.19 1x64 s HIS 16 N -1.89 0.93 0.62 5.22 -3.43 -1.26 -4.93 115.29 110.55 1x64 s HIS 16 Ca 0.58 0.58 -0.14 0.00 -0.80 0.00 0.00 55.06 55.28 1x64 s HIS 16 Cb -0.15 -3.46 -0.12 0.00 -1.43 0.00 0.00 32.58 27.41 1x64 s HIS 16 CO 0.20 -3.57 -0.38 0.41 -2.00 0.00 0.00 174.74 169.39 1x64 n GLY 17 N -1.22 -3.25 0.00 -1.38 0.00 -1.26 -4.96 105.19 93.12 1x64 n GLY 17 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 2.47 0.19 2.87 -0.02 0.00 -1.26 -5.02 105.19 104.43 1x64 n GLY 18 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.13 0.02 0.00 4.61 0.00 -1.26 -5.13 121.76 116.87 1x64 s ALA 19 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1x64 s ALA 19 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1x64 s ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1x64 n GLY 20 N 3.08 0.02 3.71 0.00 0.00 -1.26 -4.98 105.19 105.76 1x64 n GLY 20 Ca -0.12 0.74 -0.25 0.00 0.00 0.00 0.00 46.02 46.39 1x64 n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x64 n SER 21 N 0.00 -4.39 -4.62 1.61 7.64 -1.26 -4.94 113.62 107.66 1x64 n SER 21 Ca 0.00 -0.69 -0.30 0.00 1.01 0.00 0.00 58.87 58.89 1x64 n SER 21 Cb 0.00 -4.46 0.19 0.00 -1.01 0.00 0.00 64.21 58.93 1x64 n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x64 s ALA 22 N -3.38 0.87 0.13 -0.43 0.00 -1.26 -4.94 121.76 112.75 1x64 s ALA 22 Ca 0.44 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 1x64 s ALA 22 Cb -0.21 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 1x64 s ALA 22 CO 0.78 -3.08 1.33 1.96 0.00 0.00 0.00 175.76 176.75 1x64 h GLN 23 N -2.09 0.56 -5.25 0.00 4.20 -2.03 -3.47 115.11 107.01 1x64 h GLN 23 Ca -0.49 -0.50 -0.32 0.00 0.06 0.00 0.00 58.65 57.39 1x64 h GLN 23 Cb 1.29 0.12 0.14 0.00 0.30 0.00 0.00 27.48 29.33 1x64 h GLN 23 CO 0.45 1.13 -0.64 0.54 -0.67 0.00 0.00 178.83 179.64 1x64 n ARG 24 N -3.84 -6.45 -4.29 1.46 5.12 -1.26 -5.02 116.66 102.38 1x64 n ARG 24 Ca -0.07 0.74 -0.27 0.00 -1.93 0.00 0.00 57.85 56.32 1x64 n ARG 24 Cb 0.77 -5.49 -0.10 0.00 -1.16 0.00 0.00 32.46 26.49 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x64 s MET 25 N -5.67 2.02 0.47 5.56 0.23 -1.26 -5.12 119.30 115.53 1x64 s MET 25 Ca 0.25 -1.25 -0.23 0.00 -1.03 0.00 0.00 55.69 53.44 1x64 s MET 25 Cb -0.11 -2.16 -0.07 0.00 -1.53 0.00 0.00 34.83 30.96 1x64 s MET 25 CO 0.65 0.44 1.16 -1.25 -2.03 0.00 0.00 175.02 173.99 1x64 s PRO 26 N -2.71 3.72 -0.30 3.16 0.04 -1.26 -4.79 135.00 132.85 1x64 s PRO 26 Ca 0.24 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 1x64 s PRO 26 Cb -0.09 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1x64 s PRO 26 CO 0.14 -0.58 0.20 -1.17 0.04 0.00 0.00 177.00 175.63 1x64 s LEU 27 N -3.10 4.15 -0.03 -3.56 1.98 -1.26 -2.10 118.68 114.76 1x64 s LEU 27 Ca 0.64 -0.19 -0.36 0.00 -2.89 0.00 0.00 54.13 51.33 1x64 s LEU 27 Cb -0.28 -2.10 -0.14 0.00 0.66 0.00 0.00 46.19 44.32 1x64 s LEU 27 CO 0.34 -0.12 1.66 0.00 -1.89 0.00 0.00 176.35 176.34 1x64 n ASP 29 N 4.64 0.19 -0.10 0.00 2.03 -1.24 -0.17 116.55 121.90 1x64 n ASP 29 Ca 0.21 -1.22 -0.15 0.00 0.52 0.00 0.00 54.79 54.15 1x64 n ASP 29 Cb 0.24 -0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.58 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1x64 n LYS 30 N -0.78 0.54 -0.24 -0.67 3.00 -1.26 -4.65 118.16 114.09 1x64 n LYS 30 Ca 0.20 0.29 0.07 0.00 -0.00 0.00 0.00 58.31 58.87 1x64 n LYS 30 Cb 0.12 -1.50 0.17 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 -0.44 -0.13 3.13 0.00 0.00 0.76 -4.90 105.19 103.61 1x64 n GLY 32 Ca 0.15 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 33 N -3.87 2.84 0.14 1.61 0.01 -1.25 -4.84 113.70 108.34 1x64 s SER 33 Ca 0.11 -0.53 -0.20 0.00 1.31 0.00 0.00 55.95 56.64 1x64 s SER 33 Cb -0.07 -1.30 -0.12 0.00 0.21 0.00 0.00 66.02 64.74 1x64 s SER 33 CO 0.79 0.06 0.37 0.61 0.41 0.00 0.00 173.24 175.48 1x64 n GLY 34 N 4.10 -1.24 3.39 3.44 0.00 -1.26 -3.44 105.19 110.17 1x64 n GLY 34 Ca -0.20 0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.71 3.43 -0.26 -0.61 1.01 -0.89 -4.85 121.20 118.31 1x64 s ILE 35 Ca 0.45 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1x64 s ILE 35 Cb -0.66 -2.50 0.12 0.00 0.01 0.00 0.00 42.46 39.43 1x64 s ILE 35 CO 0.40 0.48 0.55 0.54 0.00 0.00 0.00 174.94 176.90 1x64 s VAL 36 N 0.75 -0.85 0.00 2.92 0.11 -1.26 -4.37 120.40 117.70 1x64 s VAL 36 Ca -0.03 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1x64 s VAL 36 Cb -0.15 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1x64 s VAL 36 CO 0.02 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 1x64 n GLY 37 N 5.42 3.37 3.33 6.54 0.00 -1.26 -5.00 105.19 117.58 1x64 n GLY 37 Ca -0.10 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.01 -1.25 0.15 4.61 0.00 -1.26 -5.17 121.76 118.84 1x64 s ALA 38 Ca 0.00 1.65 -0.00 0.00 0.00 0.00 0.00 51.96 53.61 1x64 s ALA 38 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1x64 s ALA 38 CO 0.00 -0.58 0.06 0.54 0.00 0.00 0.00 175.76 175.78 1x64 s VAL 39 N 2.15 0.19 -0.28 0.00 0.11 -1.26 -4.27 120.40 117.05 1x64 s VAL 39 Ca -0.05 -1.94 -0.03 0.00 -2.93 0.00 0.00 61.98 57.03 1x64 s VAL 39 Cb -0.10 -2.14 0.09 0.00 -1.53 0.00 0.00 36.38 32.70 1x64 s VAL 39 CO -0.14 -0.38 0.11 -0.69 -3.33 0.00 0.00 175.10 170.66 1x64 s VAL 40 N -3.99 0.30 -0.24 2.04 1.01 0.34 -4.80 120.40 115.07 1x64 s VAL 40 Ca 0.27 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1x64 s VAL 40 Cb 0.07 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1x64 s VAL 40 CO 0.04 -0.62 0.04 -0.75 0.00 0.00 0.00 175.10 173.81 1x64 s LYS 41 N 1.92 3.60 0.00 2.72 2.20 -1.26 0.02 119.74 128.94 1x64 s LYS 41 Ca 0.08 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 1x64 s LYS 41 Cb -0.17 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1x64 s LYS 41 CO -0.28 -0.16 0.04 0.00 -0.36 0.00 0.00 175.35 174.60 1x64 n ALA 42 N 4.78 -0.00 -1.15 3.13 0.00 -1.17 -4.94 120.51 121.15 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 -4.93 116.66 111.63 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 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1x64 n ASP 44 N -1.17 4.41 -4.94 0.55 5.75 -1.26 -5.05 116.55 114.85 1x64 n ASP 44 Ca 0.00 -0.01 -0.25 0.00 -0.01 0.00 0.00 54.79 54.52 1x64 n ASP 44 Cb 0.00 1.10 0.03 0.00 -1.03 0.00 0.00 41.12 41.22 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1x64 s LYS 45 N -2.13 2.81 0.05 0.11 1.02 -1.26 -5.10 119.74 115.24 1x64 s LYS 45 Ca -0.01 -0.29 0.05 0.00 0.02 0.00 0.00 55.97 55.74 1x64 s LYS 45 Cb 0.01 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1x64 s LYS 45 CO 0.09 -0.65 -0.15 0.71 -0.92 0.00 0.00 175.35 174.43 1x64 s TYR 46 N -2.87 1.29 -0.05 3.18 1.51 -1.26 -3.05 117.35 116.10 1x64 s TYR 46 Ca 0.54 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 56.12 1x64 s TYR 46 Cb -0.10 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1x64 s TYR 46 CO 0.42 0.05 0.21 1.03 -1.11 0.00 0.00 175.55 176.16 1x64 s ARG 47 N -1.35 0.39 0.98 -0.62 1.81 0.10 -3.63 118.95 116.63 1x64 s ARG 47 Ca 0.01 0.03 -0.12 0.00 -1.72 0.00 0.00 55.73 53.94 1x64 s ARG 47 Cb -0.09 0.17 0.13 0.00 -0.45 0.00 0.00 34.95 34.72 1x64 s ARG 47 CO 0.02 -0.08 0.81 0.72 -0.68 0.00 0.00 175.30 176.09 1x64 n HIS 48 N 2.27 -0.34 0.46 -0.53 8.25 -1.26 0.13 115.22 124.21 1x64 n HIS 48 Ca -0.17 0.25 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 1x64 n HIS 48 Cb 0.57 -1.86 0.35 0.00 1.12 0.00 0.00 29.99 30.17 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 -3.40 0.05 -0.01 -0.41 -0.04 -1.26 -2.12 135.00 127.80 1x64 n PRO 49 Ca 0.08 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1x64 n PRO 49 Cb 0.54 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.67 1.61 0.07 0.54 0.28 -1.26 -4.66 120.64 115.55 1x64 n GLU 50 Ca 0.03 -0.02 -0.11 0.00 -0.16 0.00 0.00 57.16 56.90 1x64 n GLU 50 Cb 0.18 -1.07 -0.02 0.00 1.43 0.00 0.00 31.44 31.95 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 -3.73 1.21 -3.83 0.00 7.35 -0.90 -4.83 117.46 112.72 1x64 n PHE 52 Ca -0.05 0.22 -0.07 0.00 -0.76 0.00 0.00 57.45 56.78 1x64 n PHE 52 Cb 0.81 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 38.10 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 10.33 0.00 1.01 -2.13 -7.23 -1.26 -3.01 120.40 118.11 1x64 s VAL 53 Ca 1.12 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 60.20 1x64 s VAL 53 Cb -0.63 -2.44 0.19 0.00 0.56 0.00 0.00 36.38 34.07 1x64 s VAL 53 CO 0.37 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.25 1x64 n ALA 55 N -4.23 3.89 -0.09 0.00 0.00 -1.20 -2.92 120.51 115.97 1x64 n ALA 55 Ca 0.05 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.96 1x64 n ALA 55 Cb 0.57 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.35 2.56 -0.00 0.00 2.03 -1.26 -4.73 116.55 113.81 1x64 n ASP 56 Ca 0.03 -0.09 0.01 0.00 0.52 0.00 0.00 54.79 55.26 1x64 n ASP 56 Cb 0.23 -0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.32 -4.26 -4.83 0.00 2.85 -1.15 -4.89 115.26 101.67 1x64 n ASN 58 Ca -0.00 -0.46 -0.38 0.00 -0.11 0.00 0.00 54.58 53.63 1x64 n ASN 58 Cb 0.05 -4.23 -0.06 0.00 1.24 0.00 0.00 39.78 36.78 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1x64 s LEU 59 N -5.92 4.47 -0.22 1.20 2.96 -1.26 -4.39 118.68 115.51 1x64 s LEU 59 Ca 0.30 1.09 -0.35 0.00 -0.22 0.00 0.00 54.13 54.96 1x64 s LEU 59 Cb -0.13 -2.83 -0.11 0.00 0.50 0.00 0.00 46.19 43.61 1x64 s LEU 59 CO 0.59 0.26 2.02 -3.20 -1.32 0.00 0.00 176.35 174.71 1x64 n ASN 60 N 1.58 2.82 -1.47 3.68 2.85 -1.26 -0.91 115.26 122.55 1x64 n ASN 60 Ca -0.11 0.69 0.10 0.00 -0.11 0.00 0.00 54.58 55.15 1x64 n ASN 60 Cb 0.52 -1.32 0.34 0.00 1.24 0.00 0.00 39.78 40.55 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 8.25 4.47 0.00 1.20 4.77 -1.16 -4.31 117.00 130.22 1x64 n LEU 61 Ca 0.31 -2.34 -0.00 0.00 -0.03 0.00 0.00 56.01 53.95 1x64 n LEU 61 Cb 0.27 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1x64 n LEU 61 CO 0.74 0.85 0.26 0.50 -1.33 0.00 0.00 177.39 178.41 1x64 h LYS 62 N 3.97 -0.01 -0.27 3.23 1.63 -1.88 -3.35 116.57 119.89 1x64 h LYS 62 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 1x64 h LYS 62 Cb 1.31 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1x64 h LYS 62 CO 0.17 -0.00 -0.45 -0.56 -3.45 0.00 0.00 179.45 175.15 1x64 h GLN 63 N -0.01 0.79 -7.40 1.90 3.07 -1.98 -3.45 115.11 108.02 1x64 h GLN 63 Ca -0.00 -0.48 -0.45 0.00 0.09 0.00 0.00 58.65 57.80 1x64 h GLN 63 Cb 0.01 0.05 0.15 0.00 0.08 0.00 0.00 27.48 27.77 1x64 h GLN 63 CO 0.00 1.11 0.22 0.15 0.09 0.00 0.00 178.83 180.41 1x64 s LYS 64 N -4.17 0.54 -0.39 0.06 1.02 -1.26 -4.94 119.74 110.61 1x64 s LYS 64 Ca -0.11 0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.99 1x64 s LYS 64 Cb 0.09 -1.76 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 1x64 s LYS 64 CO 0.86 -2.63 1.40 0.20 -0.92 0.00 0.00 175.35 174.27 1x64 s GLY 65 N -3.65 1.15 0.65 -3.33 0.00 -1.26 -4.82 107.32 96.06 1x64 s GLY 65 Ca 0.65 -0.09 -0.11 0.00 0.00 0.00 0.00 44.72 45.17 1x64 s GLY 65 CO 0.56 2.75 1.04 -2.52 0.00 0.00 0.00 173.10 174.93 1x64 s TYR 66 N 5.25 3.39 0.07 1.90 -0.85 -1.26 -3.46 117.35 122.40 1x64 s TYR 66 Ca 0.61 1.36 0.01 0.00 -0.52 0.00 0.00 57.07 58.52 1x64 s TYR 66 Cb -0.15 -2.80 -0.04 0.00 0.38 0.00 0.00 41.96 39.36 1x64 s TYR 66 CO 0.31 -0.93 -0.05 -0.06 -1.52 0.00 0.00 175.55 173.30 1x64 s PHE 67 N -3.09 0.71 -0.29 -3.49 0.40 -0.87 -4.92 117.98 106.43 1x64 s PHE 67 Ca 0.57 -0.96 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1x64 s PHE 67 Cb -0.12 -0.45 0.09 0.00 0.51 0.00 0.00 43.02 43.05 1x64 s PHE 67 CO 0.54 -0.25 0.08 -0.06 0.70 0.00 0.00 175.22 176.22 1x64 s PHE 68 N -3.63 1.80 -0.28 0.36 0.08 -1.26 -2.73 117.98 112.32 1x64 s PHE 68 Ca 0.08 -1.71 0.02 0.00 0.12 0.00 0.00 56.93 55.45 1x64 s PHE 68 Cb 0.06 -1.69 0.07 0.00 -0.57 0.00 0.00 43.02 40.88 1x64 s PHE 68 CO -0.07 -0.84 -0.06 0.08 -0.10 0.00 0.00 175.22 174.23 1x64 s VAL 69 N 1.59 2.36 -1.24 -0.44 1.01 0.98 -4.69 120.40 119.97 1x64 s VAL 69 Ca 0.07 -1.72 -0.08 0.00 0.00 0.00 0.00 61.98 60.26 1x64 s VAL 69 Cb -0.17 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1x64 s VAL 69 CO -0.21 -0.15 1.01 -0.62 0.00 0.00 0.00 175.10 175.13 1x64 n GLU 70 N 4.44 -6.87 0.00 2.72 -0.58 -1.26 -2.10 120.64 116.99 1x64 n GLU 70 Ca -0.11 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1x64 n GLU 70 Cb 0.42 -5.54 0.00 0.00 -0.57 0.00 0.00 31.44 25.76 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 -1.82 2.28 3.83 0.62 0.00 -1.26 -4.98 105.19 103.85 1x64 n GLY 71 Ca -0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.15 0.38 1.61 2.56 -0.89 -5.01 118.70 121.50 1x64 s GLU 72 Ca 0.00 1.05 -0.01 0.00 0.00 0.00 0.00 54.97 56.01 1x64 s GLU 72 Cb 0.00 -2.19 -0.03 0.00 2.00 0.00 0.00 34.13 33.91 1x64 s GLU 72 CO 0.00 -0.08 0.61 -0.51 -0.56 0.00 0.00 175.26 174.72 1x64 s LEU 73 N -3.39 3.91 0.14 2.70 1.43 -1.26 -0.01 118.68 122.20 1x64 s LEU 73 Ca 0.61 0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 54.02 1x64 s LEU 73 Cb -0.09 -3.42 0.07 0.00 0.03 0.00 0.00 46.19 42.77 1x64 s LEU 73 CO 0.18 -0.38 0.58 -0.31 0.23 0.00 0.00 176.35 176.65 1x64 s TYR 74 N -2.42 -0.51 0.34 0.29 2.02 -1.10 -3.23 117.35 112.74 1x64 s TYR 74 Ca 0.42 0.34 -0.14 0.00 -0.37 0.00 0.00 57.07 57.32 1x64 s TYR 74 Cb -0.10 0.52 -0.08 0.00 -0.40 0.00 0.00 41.96 41.90 1x64 s TYR 74 CO 0.38 -0.82 0.75 0.00 -1.57 0.00 0.00 175.55 174.29 1x64 n GLU 76 N -0.61 -0.06 0.00 0.00 2.13 -1.23 0.92 120.64 121.80 1x64 n GLU 76 Ca 0.03 1.21 0.00 0.00 0.66 0.00 0.00 57.16 59.06 1x64 n GLU 76 Cb 0.53 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1x64 n GLU 76 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1x64 n THR 77 N -5.02 0.00 0.24 6.31 -1.04 -1.26 -1.30 114.28 112.21 1x64 n THR 77 Ca 0.29 1.42 -0.16 0.00 -2.04 0.00 0.00 64.05 63.56 1x64 n THR 77 Cb 0.97 -2.42 -0.08 0.00 -1.82 0.00 0.00 70.33 66.99 1x64 n THR 77 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1x64 h HIS 78 N 0.00 -0.74 -0.65 -1.42 3.86 -1.51 -3.02 115.15 111.67 1x64 h HIS 78 Ca 0.00 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 1x64 h HIS 78 Cb 0.00 0.27 -0.10 0.00 1.06 0.00 0.00 27.41 28.64 1x64 h HIS 78 CO 0.21 -0.42 -0.51 0.00 0.86 0.00 0.00 177.93 178.06 1x64 h ALA 79 N -0.14 -0.51 -0.98 2.45 0.00 0.43 0.29 119.26 120.81 1x64 h ALA 79 Ca -0.04 0.08 0.33 0.00 0.00 0.00 0.00 54.91 55.28 1x64 h ALA 79 Cb 0.56 1.12 -0.16 0.00 0.00 0.00 0.00 17.79 19.32 1x64 h ALA 79 CO 0.02 -0.93 0.47 0.00 0.00 0.00 0.00 179.25 178.82 1x64 h ARG 80 N -0.22 0.21 -0.18 0.00 3.08 -1.09 1.42 114.38 117.60 1x64 h ARG 80 Ca 0.15 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1x64 h ARG 80 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1x64 h ARG 80 CO -0.74 0.14 -0.15 0.00 -1.07 0.00 0.00 179.97 178.16 1x64 h ALA 81 N 1.88 1.43 0.00 0.04 0.00 -0.31 0.87 119.26 123.16 1x64 h ALA 81 Ca 0.72 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1x64 h ALA 81 Cb 1.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1x64 h ALA 81 CO -0.67 0.40 -0.03 0.00 0.00 0.00 0.00 179.25 178.95 1x64 h ARG 82 N 0.27 0.00 -0.08 0.00 3.08 0.23 -3.40 114.38 114.49 1x64 h ARG 82 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1x64 h ARG 82 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1x64 h ARG 82 CO 0.03 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 178.89 1x64 h THR 83 N -0.61 1.31 -5.18 2.04 1.03 -0.83 -3.48 112.91 107.20 1x64 h THR 83 Ca 0.00 -1.01 -0.31 0.00 -0.01 0.00 0.00 66.41 65.08 1x64 h THR 83 Cb 0.03 1.81 0.13 0.00 -1.07 0.00 0.00 68.15 69.06 1x64 h THR 83 CO 0.00 0.28 -0.63 -0.24 -0.01 0.00 0.00 175.52 174.92 1x64 n SER 84 N -4.77 -3.87 0.00 0.00 2.88 0.30 -4.80 113.62 103.37 1x64 n SER 84 Ca -0.07 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1x64 n SER 84 Cb 0.25 -4.47 0.00 0.00 -0.75 0.00 0.00 64.21 59.24 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 -1.45 1.09 0.00 0.46 0.00 -1.26 -4.98 105.19 99.05 1x64 n GLY 85 Ca -0.13 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1x64 n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x64 n PRO 86 N 0.00 0.49 -0.08 1.61 -0.04 -1.26 -3.30 135.00 132.42 1x64 n PRO 86 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1x64 n PRO 86 Cb 0.00 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1x64 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x64 n SER 87 N -0.55 1.86 -3.66 3.54 2.88 -1.26 -5.06 113.62 111.36 1x64 n SER 87 Ca 0.01 0.50 -0.11 0.00 -1.33 0.00 0.00 58.87 57.94 1x64 n SER 87 Cb 0.01 -0.83 -0.06 0.00 -0.75 0.00 0.00 64.21 62.58 1x64 n SER 87 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x64 s SER 88 N -5.91 -0.23 0.00 -3.46 1.04 -1.21 -5.28 113.70 98.66 1x64 s SER 88 Ca -0.22 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1x64 s SER 88 Cb 0.03 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1x64 s SER 88 CO 0.32 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.39