#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5n s SER 2 N 0.00 6.30 0.21 1.61 0.15 -1.26 -4.99 113.70 115.72 1v5n s SER 2 Ca 0.00 0.34 -0.20 0.00 0.70 0.00 0.00 55.95 56.79 1v5n s SER 2 Cb 0.00 -2.18 0.17 0.00 -1.71 0.00 0.00 66.02 62.30 1v5n s SER 2 CO 0.00 -0.02 1.57 -1.28 1.20 0.00 0.00 173.24 174.70 1v5n h SER 3 N 7.46 -1.36 -1.66 5.45 0.87 -2.10 -3.39 113.55 118.81 1v5n h SER 3 Ca -0.37 0.28 -0.69 0.00 -1.23 0.00 0.00 61.79 59.78 1v5n h SER 3 Cb 1.17 0.69 0.01 0.00 -0.44 0.00 0.00 62.40 63.83 1v5n h SER 3 CO 0.69 -0.30 1.03 0.61 -0.53 0.00 0.00 176.83 178.33 1v5n n GLY 4 N -1.45 1.03 3.48 5.77 0.00 -1.26 -4.88 105.19 107.88 1v5n n GLY 4 Ca 0.07 0.91 -0.43 0.00 0.00 0.00 0.00 46.02 46.57 1v5n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v5n s SER 5 N 4.17 6.22 0.20 1.61 0.01 -1.26 -4.90 113.70 119.74 1v5n s SER 5 Ca 0.98 -0.77 -0.11 0.00 1.31 0.00 0.00 55.95 57.36 1v5n s SER 5 Cb -0.92 -2.43 0.19 0.00 0.21 0.00 0.00 66.02 63.07 1v5n s SER 5 CO 0.59 -1.41 1.81 0.28 0.41 0.00 0.00 173.24 174.92 1v5n h SER 6 N 9.53 0.54 -0.27 2.44 0.02 -1.91 -3.43 113.55 120.48 1v5n h SER 6 Ca -0.28 0.02 -0.62 0.00 -0.84 0.00 0.00 61.79 60.07 1v5n h SER 6 Cb 1.07 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1v5n h SER 6 CO 1.16 0.36 0.84 0.61 -1.14 0.00 0.00 176.83 178.67 1v5n n GLY 7 N -1.27 -0.02 3.55 -3.77 0.00 -1.26 -4.74 105.19 97.67 1v5n n GLY 7 Ca 0.07 0.83 -0.46 0.00 0.00 0.00 0.00 46.02 46.45 1v5n n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1v5n n THR 8 N 4.31 1.75 -1.47 2.61 -2.24 -1.26 -4.77 114.28 113.21 1v5n n THR 8 Ca 0.36 -0.44 -0.50 0.00 -2.27 0.00 0.00 64.05 61.20 1v5n n THR 8 Cb -0.04 -0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 67.41 1v5n n THR 8 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1v5n n GLU 9 N 1.00 0.31 -0.05 -0.78 0.00 -1.26 -4.90 120.64 114.94 1v5n n GLU 9 Ca 0.13 0.11 -0.09 0.00 0.00 0.00 0.00 57.16 57.30 1v5n n GLU 9 Cb 0.29 -1.33 -0.04 0.00 0.00 0.00 0.00 31.44 30.36 1v5n n GLU 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1v5n n GLU 10 N 1.19 0.24 -4.25 3.44 4.07 -1.26 -5.09 120.64 118.97 1v5n n GLU 10 Ca 0.17 0.08 -0.15 0.00 -0.06 0.00 0.00 57.16 57.20 1v5n n GLU 10 Cb 0.22 -1.06 -0.10 0.00 -0.06 0.00 0.00 31.44 30.44 1v5n n GLU 10 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1v5n s ARG 11 N -2.20 1.37 -0.48 5.31 1.81 -1.26 -5.12 118.95 118.38 1v5n s ARG 11 Ca -0.14 -1.75 0.03 0.00 -1.72 0.00 0.00 55.73 52.15 1v5n s ARG 11 Cb 0.04 0.14 0.15 0.00 -0.45 0.00 0.00 34.95 34.84 1v5n s ARG 11 CO 0.21 -0.42 0.32 -0.51 -0.68 0.00 0.00 175.30 174.22 1v5n s LEU 12 N -3.25 2.58 -0.02 2.53 1.43 -1.26 -4.99 118.68 115.71 1v5n s LEU 12 Ca 0.39 -2.96 -0.00 0.00 -1.03 0.00 0.00 54.13 50.52 1v5n s LEU 12 Cb 0.06 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 45.36 1v5n s LEU 12 CO 0.15 -0.21 -0.00 0.11 0.23 0.00 0.00 176.35 176.64 1v5n h LYS 13 N 6.17 0.00 0.08 1.70 1.57 -2.00 -3.34 116.57 120.75 1v5n h LYS 13 Ca 0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1v5n h LYS 13 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1v5n h LYS 13 CO 0.48 0.00 -0.04 1.49 -0.57 0.00 0.00 179.45 180.81 1v5n h GLU 14 N -0.15 -0.10 -0.76 3.15 4.57 -2.00 -3.27 114.58 116.02 1v5n h GLU 14 Ca 0.00 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 1v5n h GLU 14 Cb 0.00 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 28.49 1v5n h GLU 14 CO 0.00 0.40 -0.27 -0.89 -1.18 0.00 0.00 179.01 177.07 1v5n n ILE 15 N -4.88 -0.38 -0.20 2.32 2.08 -1.26 0.17 119.36 117.21 1v5n n ILE 15 Ca -0.08 1.78 -0.02 0.00 0.56 0.00 0.00 62.75 64.98 1v5n n ILE 15 Cb 0.28 -2.37 0.09 0.00 -0.75 0.00 0.00 39.64 36.88 1v5n n ILE 15 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1v5n h GLU 16 N 0.00 0.49 -0.95 0.38 4.39 -1.68 -1.37 114.58 115.83 1v5n h GLU 16 Ca 0.29 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 60.09 1v5n h GLU 16 Cb 0.48 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 28.94 1v5n h GLU 16 CO -0.76 0.32 0.61 0.00 -1.16 0.00 0.00 179.01 178.01 1v5n h ALA 17 N 1.35 1.66 -0.70 3.43 0.00 0.17 -0.15 119.26 125.01 1v5n h ALA 17 Ca 0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1v5n h ALA 17 Cb 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1v5n h ALA 17 CO -0.23 0.10 0.45 0.87 0.00 0.00 0.00 179.25 180.44 1v5n h LYS 18 N 0.86 0.94 -0.37 0.00 1.79 -0.43 -2.54 116.57 116.82 1v5n h LYS 18 Ca 0.48 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.84 1v5n h LYS 18 Cb 0.59 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1v5n h LYS 18 CO -0.24 0.64 0.08 1.88 -1.08 0.00 0.00 179.45 180.72 1v5n h TYR 19 N 0.96 0.63 -1.01 -1.35 0.05 -0.88 -2.88 116.97 112.49 1v5n h TYR 19 Ca 0.26 -0.08 0.32 0.00 0.05 0.00 0.00 58.73 59.28 1v5n h TYR 19 Cb -0.08 -0.18 -0.15 0.00 1.01 0.00 0.00 36.73 37.34 1v5n h TYR 19 CO 0.00 0.63 0.58 -0.44 -1.05 0.00 0.00 178.16 177.88 1v5n h ASP 20 N 0.45 0.51 -0.78 3.88 3.32 -1.13 0.83 116.42 123.50 1v5n h ASP 20 Ca 0.11 0.19 0.08 0.00 0.02 0.00 0.00 57.03 57.43 1v5n h ASP 20 Cb 0.33 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1v5n h ASP 20 CO 0.00 -0.13 0.51 -0.08 -1.72 0.00 0.00 179.24 177.82 1v5n h GLU 21 N 0.32 0.77 -0.12 3.56 4.57 -1.52 0.91 114.58 123.07 1v5n h GLU 21 Ca 0.73 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.69 1v5n h GLU 21 Cb 1.69 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 30.10 1v5n h GLU 21 CO -0.60 0.51 -0.67 0.82 -1.18 0.00 0.00 179.01 177.89 1v5n h ILE 22 N 0.79 1.35 -0.56 2.32 2.04 0.56 -3.15 117.51 120.87 1v5n h ILE 22 Ca 0.34 -2.01 -0.18 0.00 1.00 0.00 0.00 64.86 64.01 1v5n h ILE 22 Cb 0.31 1.99 -0.11 0.00 -0.74 0.00 0.00 36.82 38.27 1v5n h ILE 22 CO -0.12 0.61 0.16 0.00 0.00 0.00 0.00 178.15 178.80 1v5n n ALA 23 N -2.52 4.23 -0.19 1.87 0.00 -0.55 -4.57 120.51 118.78 1v5n n ALA 23 Ca -0.04 -2.58 -0.10 0.00 0.00 0.00 0.00 53.44 50.71 1v5n n ALA 23 Cb 0.68 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 19.12 1v5n n ALA 23 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1v5n h LYS 24 N 1.91 0.99 0.03 0.00 2.10 0.84 -3.16 116.57 119.28 1v5n h LYS 24 Ca 0.23 -0.34 -0.28 0.00 -2.00 0.00 0.00 60.65 58.26 1v5n h LYS 24 Cb 2.01 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 33.23 1v5n h LYS 24 CO 0.57 1.02 -1.48 0.22 -2.00 0.00 0.00 179.45 177.77 1v5n h ASP 25 N 0.87 0.10 -2.10 7.07 3.58 -1.83 -3.46 116.42 120.65 1v5n h ASP 25 Ca 0.15 -0.16 -0.61 0.00 0.42 0.00 0.00 57.03 56.82 1v5n h ASP 25 Cb 0.60 -0.03 0.05 0.00 1.72 0.00 0.00 39.33 41.67 1v5n h ASP 25 CO 0.04 1.14 0.78 0.79 -2.88 0.00 0.00 179.24 179.10 1v5n n TRP 26 N -3.24 2.13 -2.26 0.28 8.01 -1.20 -4.93 117.44 116.23 1v5n n TRP 26 Ca -0.13 0.31 -0.36 0.00 -1.31 0.00 0.00 57.50 56.02 1v5n n TRP 26 Cb 1.02 -2.52 -0.00 0.00 -2.01 0.00 0.00 31.31 27.80 1v5n n TRP 26 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1v5n s PRO 27 N 1.36 3.47 0.29 -0.99 0.04 -1.26 -4.95 135.00 132.95 1v5n s PRO 27 Ca 0.82 1.65 0.07 0.00 0.04 0.00 0.00 61.00 63.58 1v5n s PRO 27 Cb -0.75 -2.11 0.45 0.00 0.04 0.00 0.00 34.50 32.13 1v5n s PRO 27 CO 0.42 -0.76 1.70 0.87 0.04 0.00 0.00 177.00 179.27 1v5n h LYS 28 N 1.42 0.23 -4.68 4.56 1.79 -1.93 -3.42 116.57 114.54 1v5n h LYS 28 Ca -0.50 -0.11 -0.59 0.00 -2.18 0.00 0.00 60.65 57.27 1v5n h LYS 28 Cb 1.26 -0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.55 1v5n h LYS 28 CO 0.58 0.62 -0.83 0.15 -1.08 0.00 0.00 179.45 178.88 1v5n s LYS 29 N -4.13 2.24 0.07 3.15 -0.14 -1.26 -2.30 119.74 117.38 1v5n s LYS 29 Ca -0.04 -0.55 0.08 0.00 -1.36 0.00 0.00 55.97 54.10 1v5n s LYS 29 Cb 0.13 -2.01 -0.03 0.00 -1.68 0.00 0.00 37.83 34.24 1v5n s LYS 29 CO 0.77 -0.17 -0.19 0.54 -0.76 0.00 0.00 175.35 175.54 1v5n s VAL 30 N 1.31 2.76 -0.41 3.17 0.11 -0.51 -4.91 120.40 121.93 1v5n s VAL 30 Ca 0.01 -1.32 -0.08 0.00 -2.93 0.00 0.00 61.98 57.66 1v5n s VAL 30 Cb -0.14 -2.20 0.08 0.00 -1.53 0.00 0.00 36.38 32.60 1v5n s VAL 30 CO -0.07 0.25 0.24 -0.75 -3.33 0.00 0.00 175.10 171.43 1v5n s LYS 31 N -1.69 2.50 0.39 1.54 2.20 -1.26 0.10 119.74 123.52 1v5n s LYS 31 Ca 0.16 -1.51 -0.05 0.00 -0.36 0.00 0.00 55.97 54.20 1v5n s LYS 31 Cb -0.10 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 1v5n s LYS 31 CO 0.07 -0.96 0.68 -1.58 -0.36 0.00 0.00 175.35 173.20 1v5n s HIS 32 N 1.37 3.51 -0.03 4.03 2.46 -1.26 -4.93 115.29 120.44 1v5n s HIS 32 Ca 0.03 0.74 -0.26 0.00 0.47 0.00 0.00 55.06 56.05 1v5n s HIS 32 Cb -0.23 -2.21 -0.20 0.00 -0.13 0.00 0.00 32.58 29.81 1v5n s HIS 32 CO 0.01 -0.05 1.22 -0.24 -2.47 0.00 0.00 174.74 173.20 1v5n h VAL 33 N 0.81 1.43 0.00 0.89 3.04 -1.95 0.91 116.25 121.37 1v5n h VAL 33 Ca -0.48 -1.31 -0.01 0.00 -1.01 0.00 0.00 66.70 63.89 1v5n h VAL 33 Cb 1.20 2.28 -0.00 0.00 -2.01 0.00 0.00 31.29 32.76 1v5n h VAL 33 CO 0.63 0.35 -0.05 -0.07 -1.01 0.00 0.00 177.57 177.42 1v5n h LEU 34 N -0.48 0.00 -3.03 3.16 3.38 -1.99 -2.09 115.31 114.26 1v5n h LEU 34 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1v5n h LEU 34 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1v5n h LEU 34 CO 0.01 0.05 -0.25 1.57 0.09 0.00 0.00 178.44 179.90 1v5n n HIS 35 N -4.21 0.09 -0.32 1.13 -0.00 -1.19 -4.80 115.22 105.93 1v5n n HIS 35 Ca -0.03 -1.27 0.31 0.00 0.46 0.00 0.00 57.72 57.19 1v5n n HIS 35 Cb 0.13 -0.22 0.56 0.00 -0.12 0.00 0.00 29.99 30.34 1v5n n HIS 35 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1v5n n GLU 36 N -1.24 -0.05 -0.31 1.57 0.28 0.31 -0.11 120.64 121.10 1v5n n GLU 36 Ca 0.19 1.27 0.09 0.00 -0.16 0.00 0.00 57.16 58.55 1v5n n GLU 36 Cb 0.69 -2.32 0.19 0.00 1.43 0.00 0.00 31.44 31.44 1v5n n GLU 36 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1v5n n GLU 37 N -5.04 -0.07 -4.11 3.44 -0.58 -1.26 -4.57 120.64 108.43 1v5n n GLU 37 Ca 0.36 1.33 -0.09 0.00 -0.42 0.00 0.00 57.16 58.34 1v5n n GLU 37 Cb 1.24 -2.05 -0.10 0.00 -0.57 0.00 0.00 31.44 29.96 1v5n n GLU 37 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1v5n s HIS 38 N -5.97 0.75 -0.16 -0.32 3.76 0.85 -5.15 115.29 109.04 1v5n s HIS 38 Ca -0.12 -1.15 -0.12 0.00 -0.15 0.00 0.00 55.06 53.52 1v5n s HIS 38 Cb 0.25 -0.42 -0.05 0.00 1.11 0.00 0.00 32.58 33.47 1v5n s HIS 38 CO 0.68 -0.52 0.24 -1.21 -0.85 0.00 0.00 174.74 173.09 1v5n s GLU 39 N -4.02 4.17 1.05 1.40 8.01 -1.26 -4.43 118.70 123.62 1v5n s GLU 39 Ca 0.20 0.00 -0.12 0.00 0.01 0.00 0.00 54.97 55.06 1v5n s GLU 39 Cb 0.07 -3.40 0.22 0.00 -4.31 0.00 0.00 34.13 26.71 1v5n s GLU 39 CO -0.01 0.31 1.07 -0.51 0.01 0.00 0.00 175.26 176.13 1v5n s LEU 40 N 0.28 1.43 -0.15 1.80 2.01 0.29 -4.63 118.68 119.71 1v5n s LEU 40 Ca 0.14 1.36 -0.01 0.00 0.01 0.00 0.00 54.13 55.63 1v5n s LEU 40 Cb -0.12 -3.48 0.04 0.00 0.01 0.00 0.00 46.19 42.64 1v5n s LEU 40 CO 0.02 -3.46 -0.01 -0.70 1.01 0.00 0.00 176.35 173.21 1v5n s GLU 41 N -4.78 1.01 -0.82 1.70 2.12 0.15 -1.42 118.70 116.66 1v5n s GLU 41 Ca 0.66 -0.32 -0.36 0.00 0.36 0.00 0.00 54.97 55.32 1v5n s GLU 41 Cb -0.21 -1.76 -0.21 0.00 0.26 0.00 0.00 34.13 32.22 1v5n s GLU 41 CO 0.60 -0.45 2.50 -0.11 -0.54 0.00 0.00 175.26 177.26 1v5n n LEU 42 N 5.00 0.47 -4.50 2.70 7.94 -0.97 -2.30 117.00 125.33 1v5n n LEU 42 Ca -0.10 0.35 -0.33 0.00 -1.11 0.00 0.00 56.01 54.82 1v5n n LEU 42 Cb 0.48 -0.92 -0.12 0.00 0.53 0.00 0.00 43.42 43.39 1v5n n LEU 42 CO 0.14 -0.74 -0.40 -0.89 -1.11 0.00 0.00 177.39 174.39 1v5n s THR 43 N 7.96 3.48 -0.03 1.96 2.01 0.13 -4.90 115.64 126.26 1v5n s THR 43 Ca 1.30 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 1v5n s THR 43 Cb -1.34 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1v5n s THR 43 CO 0.55 0.56 1.52 -0.13 -0.69 0.00 0.00 174.62 176.43 1v5n s ARG 44 N -0.31 4.22 -0.01 4.92 1.81 -1.26 -2.48 118.95 125.84 1v5n s ARG 44 Ca 0.04 2.07 -0.04 0.00 -1.72 0.00 0.00 55.73 56.07 1v5n s ARG 44 Cb -0.13 -3.76 0.00 0.00 -0.45 0.00 0.00 34.95 30.62 1v5n s ARG 44 CO 0.02 -0.72 0.09 0.08 -0.68 0.00 0.00 175.30 174.10 1v5n s VAL 45 N 3.19 0.05 -0.09 3.52 1.01 -1.26 -4.98 120.40 121.84 1v5n s VAL 45 Ca 0.68 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 1v5n s VAL 45 Cb -0.32 -0.28 -0.25 0.00 0.00 0.00 0.00 36.38 35.53 1v5n s VAL 45 CO 0.27 -0.24 0.93 -0.61 0.00 0.00 0.00 175.10 175.45 1v5n h GLN 46 N 5.09 0.05 -2.54 2.72 4.15 -1.94 -2.05 115.11 120.59 1v5n h GLN 46 Ca -0.28 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 58.98 1v5n h GLN 46 Cb 1.20 0.02 -0.20 0.00 0.21 0.00 0.00 27.48 28.71 1v5n h GLN 46 CO 0.42 0.90 -0.06 0.08 -1.93 0.00 0.00 178.83 178.24 1v5n s VAL 47 N -2.81 0.03 0.19 2.39 1.01 -1.26 -4.02 120.40 115.93 1v5n s VAL 47 Ca -0.17 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1v5n s VAL 47 Cb -0.01 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.61 1v5n s VAL 47 CO 0.71 -0.13 0.42 0.00 0.00 0.00 0.00 175.10 176.10 1v5n n TYR 48 N 1.20 -1.59 -3.85 5.22 4.11 -1.25 -5.01 117.16 115.99 1v5n n TYR 48 Ca -0.20 -0.91 -0.30 0.00 -0.00 0.00 0.00 57.90 56.49 1v5n n TYR 48 Cb 0.56 0.45 -0.15 0.00 -0.00 0.00 0.00 39.34 40.20 1v5n n TYR 48 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1v5n s THR 49 N -2.50 1.26 0.09 -3.48 2.01 -1.26 -3.77 115.64 107.99 1v5n s THR 49 Ca 0.09 -1.38 -0.31 0.00 0.31 0.00 0.00 61.69 60.39 1v5n s THR 49 Cb -0.02 -1.79 -0.11 0.00 0.01 0.00 0.00 72.50 70.59 1v5n s THR 49 CO 0.06 -0.42 1.85 0.00 -0.69 0.00 0.00 174.62 175.42 1v5n n ASP 51 N 5.90 3.46 0.03 0.00 8.00 -1.26 -2.33 116.55 130.36 1v5n n ASP 51 Ca 0.19 -2.90 0.00 0.00 0.71 0.00 0.00 54.79 52.79 1v5n n ASP 51 Cb 0.37 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1v5n n LYS 52 N -0.38 0.00 0.00 -1.24 4.81 -1.26 -4.83 118.16 115.26 1v5n n LYS 52 Ca 0.33 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.84 1v5n n LYS 52 Cb 1.15 -0.43 0.03 0.00 0.02 0.00 0.00 35.03 35.80 1v5n n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v5n n GLU 54 N 0.40 -4.47 -2.95 0.00 1.02 -0.98 -5.04 120.64 108.61 1v5n n GLU 54 Ca 0.08 0.55 -0.11 0.00 -0.02 0.00 0.00 57.16 57.66 1v5n n GLU 54 Cb 0.35 -4.68 -0.03 0.00 -0.02 0.00 0.00 31.44 27.07 1v5n n GLU 54 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v5n n GLU 55 N -3.11 1.09 -3.86 3.49 -0.58 -1.22 -4.92 120.64 111.54 1v5n n GLU 55 Ca -0.15 -1.34 -0.26 0.00 -0.42 0.00 0.00 57.16 54.99 1v5n n GLU 55 Cb 0.59 0.58 -0.17 0.00 -0.57 0.00 0.00 31.44 31.88 1v5n n GLU 55 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1v5n s GLU 56 N -2.63 1.23 0.86 3.49 2.12 -1.26 0.87 118.70 123.38 1v5n s GLU 56 Ca 0.05 -0.26 -0.09 0.00 0.36 0.00 0.00 54.97 55.04 1v5n s GLU 56 Cb 0.00 -1.61 0.18 0.00 0.26 0.00 0.00 34.13 32.96 1v5n s GLU 56 CO 0.03 -0.35 1.18 0.20 -0.54 0.00 0.00 175.26 175.78 1v5n s GLY 57 N 1.76 1.78 -0.27 -1.50 0.00 -1.25 -4.92 107.32 102.92 1v5n s GLY 57 Ca 0.03 -1.54 -0.23 0.00 0.00 0.00 0.00 44.72 42.99 1v5n s GLY 57 CO -0.07 -0.83 0.71 -0.51 0.00 0.00 0.00 173.10 172.39 1v5n s THR 58 N -3.55 -0.00 -1.93 0.90 -4.23 -1.26 -3.89 115.64 101.67 1v5n s THR 58 Ca 0.71 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1v5n s THR 58 Cb -0.04 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1v5n s THR 58 CO 0.49 0.00 0.00 -0.38 -0.54 0.00 0.00 174.62 174.19 1v5n n ILE 59 N 3.12 -0.48 0.00 2.99 2.08 -0.77 -4.90 119.36 121.40 1v5n n ILE 59 Ca -0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1v5n n ILE 59 Cb 0.56 -2.41 0.00 0.00 -0.75 0.00 0.00 39.64 37.04 1v5n n ILE 59 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1v5n n TRP 60 N -3.22 0.00 -3.32 1.39 5.03 -1.23 -4.82 117.44 111.28 1v5n n TRP 60 Ca -0.22 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.33 1v5n n TRP 60 Cb 0.67 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.91 1v5n n TRP 60 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 1v5n s SER 61 N 0.00 -0.36 -0.72 -0.99 0.01 -1.03 -4.73 113.70 105.88 1v5n s SER 61 Ca 0.00 0.49 -0.27 0.00 1.31 0.00 0.00 55.95 57.48 1v5n s SER 61 Cb 0.00 1.40 0.02 0.00 0.21 0.00 0.00 66.02 67.65 1v5n s SER 61 CO 0.00 -0.07 1.39 -0.31 0.41 0.00 0.00 173.24 174.66 1v5n s TYR 62 N 2.25 2.17 0.12 2.43 2.02 -0.90 0.22 117.35 125.66 1v5n s TYR 62 Ca -0.01 0.09 0.07 0.00 -0.37 0.00 0.00 57.07 56.85 1v5n s TYR 62 Cb -0.04 -4.53 -0.04 0.00 -0.40 0.00 0.00 41.96 36.95 1v5n s TYR 62 CO -0.17 -2.12 -0.08 -1.58 -1.57 0.00 0.00 175.55 170.03 1v5n s HIS 63 N 6.35 2.75 -0.20 2.71 5.65 -0.97 -2.19 115.29 129.39 1v5n s HIS 63 Ca 0.41 -0.15 -0.06 0.00 0.25 0.00 0.00 55.06 55.51 1v5n s HIS 63 Cb -0.09 -1.41 -0.03 0.00 -1.18 0.00 0.00 32.58 29.87 1v5n s HIS 63 CO 0.16 0.45 0.02 0.00 -0.65 0.00 0.00 174.74 174.71 1v5n n ASP 65 N 4.07 4.12 0.00 0.00 2.03 -1.26 -0.76 116.55 124.75 1v5n n ASP 65 Ca -0.17 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 52.84 1v5n n ASP 65 Cb 0.52 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 1v5n n ASP 65 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1v5n n GLU 66 N 0.77 0.34 0.00 -0.67 2.13 -1.26 -4.89 120.64 117.05 1v5n n GLU 66 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1v5n n GLU 66 Cb 0.56 -0.63 0.00 0.00 0.27 0.00 0.00 31.44 31.64 1v5n n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1v5n n ASP 68 N -1.15 -2.58 -4.94 0.00 -0.08 0.06 -5.02 116.55 102.85 1v5n n ASP 68 Ca 0.00 -0.17 -0.21 0.00 -1.51 0.00 0.00 54.79 52.91 1v5n n ASP 68 Cb 0.00 -1.67 0.04 0.00 2.34 0.00 0.00 41.12 41.84 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1v5n s PHE 69 N -3.09 2.53 -0.19 -0.67 5.36 -1.24 -4.85 117.98 115.82 1v5n s PHE 69 Ca 0.06 -0.19 -0.16 0.00 -0.96 0.00 0.00 56.93 55.68 1v5n s PHE 69 Cb -0.01 -2.67 0.05 0.00 -0.34 0.00 0.00 43.02 40.05 1v5n s PHE 69 CO 0.18 -0.94 0.50 -0.51 -1.46 0.00 0.00 175.22 172.99 1v5n s ASP 70 N -4.48 -0.55 0.35 6.13 1.11 -1.24 -3.24 116.67 114.75 1v5n s ASP 70 Ca 0.59 1.02 -0.09 0.00 0.18 0.00 0.00 52.55 54.25 1v5n s ASP 70 Cb -0.09 1.00 0.02 0.00 1.07 0.00 0.00 42.92 44.92 1v5n s ASP 70 CO 0.38 -0.18 0.60 -0.76 1.18 0.00 0.00 175.17 176.39 1v5n s LEU 71 N 0.57 0.55 0.31 1.23 1.43 -0.93 -4.08 118.68 117.76 1v5n s LEU 71 Ca -0.02 -1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 51.73 1v5n s LEU 71 Cb -0.04 2.05 -0.05 0.00 0.03 0.00 0.00 46.19 48.18 1v5n s LEU 71 CO -0.03 -1.44 0.57 -1.00 0.23 0.00 0.00 176.35 174.67 1v5n s HIS 72 N -2.85 3.48 0.25 0.29 3.76 -1.26 -2.11 115.29 116.85 1v5n s HIS 72 Ca 0.24 0.62 -0.05 0.00 -0.15 0.00 0.00 55.06 55.72 1v5n s HIS 72 Cb -0.02 -2.09 0.29 0.00 1.11 0.00 0.00 32.58 31.87 1v5n s HIS 72 CO 0.16 0.14 1.84 0.00 -0.85 0.00 0.00 174.74 176.03 1v5n h ALA 73 N 1.49 1.18 0.21 -1.40 0.00 -1.96 -1.25 119.26 117.53 1v5n h ALA 73 Ca -0.48 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 53.94 1v5n h ALA 73 Cb 1.19 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 18.72 1v5n h ALA 73 CO 0.65 0.61 -1.45 1.57 0.00 0.00 0.00 179.25 180.64 1v5n h LYS 74 N 1.06 0.45 -0.40 0.00 2.10 -1.96 -3.05 116.57 114.77 1v5n h LYS 74 Ca 0.25 -0.78 0.02 0.00 -2.00 0.00 0.00 60.65 58.14 1v5n h LYS 74 Cb 0.16 0.29 -0.03 0.00 -0.90 0.00 0.00 32.23 31.75 1v5n h LYS 74 CO -0.03 1.37 0.24 0.00 -2.00 0.00 0.00 179.45 179.03 1v5n h ALA 76 N 1.17 0.81 -0.50 0.00 0.00 -1.34 -2.99 119.26 116.42 1v5n h ALA 76 Ca 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1v5n h ALA 76 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1v5n h ALA 76 CO -0.07 0.52 0.12 -0.07 0.00 0.00 0.00 179.25 179.75 1v5n h LEU 77 N 0.90 0.75 -7.81 0.00 3.38 -1.35 -3.41 115.31 107.78 1v5n h LEU 77 Ca 0.19 -0.23 -0.64 0.00 0.09 0.00 0.00 57.88 57.29 1v5n h LEU 77 Cb 0.35 -0.20 -0.37 0.00 0.09 0.00 0.00 40.66 40.53 1v5n h LEU 77 CO 0.00 0.79 -0.81 0.20 0.09 0.00 0.00 178.44 178.72 1v5n s ASN 78 N -6.14 3.86 -0.26 -0.43 0.01 0.23 -4.98 114.94 107.22 1v5n s ASN 78 Ca -0.13 -1.12 0.08 0.00 -0.71 0.00 0.00 52.86 50.98 1v5n s ASN 78 Cb 0.11 -1.36 0.45 0.00 0.41 0.00 0.00 41.25 40.86 1v5n s ASN 78 CO 0.79 -0.17 1.20 -1.84 -1.51 0.00 0.00 177.10 175.58 1v5n n GLU 79 N 4.58 2.91 -3.84 -0.60 0.00 -1.23 -4.45 120.64 118.01 1v5n n GLU 79 Ca -0.14 -3.87 -0.22 0.00 0.00 0.00 0.00 57.16 52.93 1v5n n GLU 79 Cb 0.45 -2.05 -0.05 0.00 0.00 0.00 0.00 31.44 29.79 1v5n n GLU 79 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1v5n s ASP 80 N -3.46 4.94 0.65 -1.84 -4.77 -1.26 -5.00 116.67 105.93 1v5n s ASP 80 Ca 0.47 -0.73 -0.16 0.00 -3.30 0.00 0.00 52.55 48.82 1v5n s ASP 80 Cb 0.40 -0.71 -0.14 0.00 -1.09 0.00 0.00 42.92 41.38 1v5n s ASP 80 CO 0.00 -0.46 -0.37 0.35 0.70 0.00 0.00 175.17 175.39 1v5n n THR 81 N -1.36 0.00 -4.41 2.11 -2.24 -1.26 -5.00 114.28 102.12 1v5n n THR 81 Ca -0.00 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.10 1v5n n THR 81 Cb 0.61 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 1v5n n THR 81 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1v5n s LYS 82 N -1.31 1.67 0.00 -0.78 0.00 -1.26 -5.16 119.74 112.90 1v5n s LYS 82 Ca 0.47 -1.96 0.08 0.00 0.00 0.00 0.00 55.97 54.56 1v5n s LYS 82 Cb -0.34 -0.48 -0.02 0.00 0.00 0.00 0.00 37.83 36.98 1v5n s LYS 82 CO 0.68 -0.36 -0.25 -1.83 0.00 0.00 0.00 175.35 173.60 1v5n s GLU 83 N -3.85 1.89 0.40 1.78 -1.05 -1.26 -5.10 118.70 111.50 1v5n s GLU 83 Ca 0.33 -0.95 -0.24 0.00 -0.15 0.00 0.00 54.97 53.96 1v5n s GLU 83 Cb 0.06 -1.90 -0.12 0.00 -0.44 0.00 0.00 34.13 31.73 1v5n s GLU 83 CO 0.15 0.51 0.77 -1.13 0.95 0.00 0.00 175.26 176.52 1v5n n SER 84 N 2.23 0.15 -4.15 0.83 3.41 -1.26 -4.98 113.62 109.84 1v5n n SER 84 Ca -0.16 0.99 -0.29 0.00 -0.26 0.00 0.00 58.87 59.15 1v5n n SER 84 Cb 0.52 -1.22 -0.17 0.00 -0.26 0.00 0.00 64.21 63.08 1v5n n SER 84 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1v5n s GLY 85 N -0.84 1.13 0.06 5.00 0.00 -1.26 -5.00 107.32 106.41 1v5n s GLY 85 Ca 0.63 -0.77 0.16 0.00 0.00 0.00 0.00 44.72 44.74 1v5n s GLY 85 CO 0.57 -0.18 1.51 -1.55 0.00 0.00 0.00 173.10 173.45 1v5n n PRO 86 N 3.59 0.04 -1.57 2.90 -0.04 -1.26 -4.82 135.00 133.85 1v5n n PRO 86 Ca -0.20 0.29 -0.59 0.00 -0.04 0.00 0.00 63.50 62.96 1v5n n PRO 86 Cb 0.53 -1.58 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 1v5n n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v5n n SER 87 N -1.66 1.74 -3.92 3.54 2.88 -1.26 -4.92 113.62 110.02 1v5n n SER 87 Ca 0.03 0.89 -0.30 0.00 -1.33 0.00 0.00 58.87 58.15 1v5n n SER 87 Cb 0.18 -1.06 -0.15 0.00 -0.75 0.00 0.00 64.21 62.43 1v5n n SER 87 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1v5n s SER 88 N 4.71 4.05 0.00 -3.46 0.01 -1.26 -5.28 113.70 112.47 1v5n s SER 88 Ca 1.07 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1v5n s SER 88 Cb -1.21 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1v5n s SER 88 CO 0.66 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.63