#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5n n SER 2 N 0.00 5.82 -3.83 1.61 2.88 -1.26 -4.90 113.62 113.94 1v5n n SER 2 Ca 0.00 -3.76 -0.28 0.00 -1.33 0.00 0.00 58.87 53.50 1v5n n SER 2 Cb 0.00 -0.58 0.03 0.00 -0.75 0.00 0.00 64.21 62.91 1v5n n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v5n n SER 3 N -0.72 -4.23 0.00 -3.46 2.88 -1.26 -4.19 113.62 102.64 1v5n n SER 3 Ca 0.49 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1v5n n SER 3 Cb 0.78 -4.06 0.00 0.00 -0.75 0.00 0.00 64.21 60.19 1v5n n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v5n n GLY 4 N -1.70 0.46 2.56 0.46 0.00 -1.26 -4.76 105.19 100.95 1v5n n GLY 4 Ca -0.03 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 1v5n n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v5n n SER 5 N 3.81 -3.95 -4.90 1.61 2.88 -1.26 -5.03 113.62 106.78 1v5n n SER 5 Ca 0.00 -0.29 -0.32 0.00 -1.33 0.00 0.00 58.87 56.92 1v5n n SER 5 Cb 0.00 -2.92 -0.05 0.00 -0.75 0.00 0.00 64.21 60.49 1v5n n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v5n s SER 6 N -3.26 6.46 0.00 -3.46 1.04 -1.26 -5.11 113.70 108.10 1v5n s SER 6 Ca 0.26 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1v5n s SER 6 Cb -0.11 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1v5n s SER 6 CO 0.39 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.35 1v5n n GLY 7 N 0.41 -0.53 0.48 7.32 0.00 -1.26 -5.06 105.19 106.55 1v5n n GLY 7 Ca -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1v5n n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v5n n THR 8 N -0.05 0.00 -4.62 2.61 -1.04 -1.26 -5.08 114.28 104.85 1v5n n THR 8 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1v5n n THR 8 Cb 0.00 -0.52 -0.16 0.00 -1.82 0.00 0.00 70.33 67.84 1v5n n THR 8 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1v5n s GLU 9 N -1.69 1.35 -0.04 -2.82 1.03 -1.26 -5.07 118.70 110.20 1v5n s GLU 9 Ca 0.00 -0.46 -0.01 0.00 0.03 0.00 0.00 54.97 54.53 1v5n s GLU 9 Cb 0.00 -1.21 -0.00 0.00 -0.80 0.00 0.00 34.13 32.11 1v5n s GLU 9 CO 0.00 0.19 -0.01 0.93 -1.33 0.00 0.00 175.26 175.04 1v5n h GLU 10 N 6.26 0.00 -3.50 -4.83 3.07 -2.06 -3.49 114.58 110.03 1v5n h GLU 10 Ca -0.33 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.44 1v5n h GLU 10 Cb 1.17 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.92 1v5n h GLU 10 CO 0.48 0.00 -0.30 -0.98 -1.40 0.00 0.00 179.01 176.82 1v5n s ARG 11 N -1.28 0.82 -0.50 2.33 3.03 -1.26 -5.06 118.95 117.03 1v5n s ARG 11 Ca -0.01 -0.67 0.02 0.00 2.03 0.00 0.00 55.73 57.10 1v5n s ARG 11 Cb 0.00 0.34 0.45 0.00 -1.03 0.00 0.00 34.95 34.72 1v5n s ARG 11 CO 0.02 -0.26 1.63 1.28 -1.13 0.00 0.00 175.30 176.83 1v5n n LEU 12 N 0.36 6.36 0.27 -1.89 4.77 -1.26 -4.79 117.00 120.82 1v5n n LEU 12 Ca -0.17 -4.55 -0.18 0.00 -0.03 0.00 0.00 56.01 51.07 1v5n n LEU 12 Cb 0.60 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 1v5n n LEU 12 CO 0.21 1.79 0.52 0.11 -1.33 0.00 0.00 177.39 178.70 1v5n h LYS 13 N 2.14 -0.94 0.05 3.23 1.57 -2.01 -2.24 116.57 118.37 1v5n h LYS 13 Ca 0.49 0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 59.27 1v5n h LYS 13 Cb 1.11 0.21 0.01 0.00 0.08 0.00 0.00 32.23 33.64 1v5n h LYS 13 CO 1.19 -0.63 -0.28 1.49 -0.57 0.00 0.00 179.45 180.65 1v5n h GLU 14 N -0.98 0.11 -0.87 3.15 4.22 -2.01 -3.35 114.58 114.84 1v5n h GLU 14 Ca -0.05 -0.18 0.13 0.00 0.08 0.00 0.00 59.36 59.34 1v5n h GLU 14 Cb 0.87 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.04 1v5n h GLU 14 CO -0.10 1.07 -0.35 -0.89 -2.18 0.00 0.00 179.01 176.56 1v5n n ILE 15 N -4.45 -0.47 -0.21 2.32 2.08 -1.24 0.93 119.36 118.33 1v5n n ILE 15 Ca -0.11 2.05 0.02 0.00 0.56 0.00 0.00 62.75 65.27 1v5n n ILE 15 Cb 0.59 -2.70 0.12 0.00 -0.75 0.00 0.00 39.64 36.90 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 0.16 -0.85 0.38 4.39 -1.54 0.10 114.58 117.22 1v5n h GLU 16 Ca 0.29 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1v5n h GLU 16 Cb 0.51 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 1v5n h GLU 16 CO -0.87 0.10 0.54 0.00 -1.16 0.00 0.00 179.01 177.63 1v5n h ALA 17 N 1.56 1.08 -0.33 3.43 0.00 0.43 -2.79 119.26 122.64 1v5n h ALA 17 Ca 0.34 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1v5n h ALA 17 Cb 0.55 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1v5n h ALA 17 CO -0.51 0.51 -0.07 -0.22 0.00 0.00 0.00 179.25 178.96 1v5n h LYS 18 N 1.16 0.01 -0.51 0.00 3.64 0.39 -2.32 116.57 118.94 1v5n h LYS 18 Ca 0.31 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.79 1v5n h LYS 18 Cb -0.09 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.62 1v5n h LYS 18 CO -0.06 0.01 -0.24 1.88 -2.27 0.00 0.00 179.45 178.76 1v5n h TYR 19 N 0.01 -0.63 -0.90 1.91 0.05 -1.15 0.30 116.97 116.56 1v5n h TYR 19 Ca 0.16 0.06 0.25 0.00 0.05 0.00 0.00 58.73 59.24 1v5n h TYR 19 Cb 0.24 0.36 -0.15 0.00 1.01 0.00 0.00 36.73 38.18 1v5n h TYR 19 CO -0.30 -0.32 0.23 -0.44 -1.05 0.00 0.00 178.16 176.27 1v5n h ASP 20 N -0.13 -0.04 -0.87 3.88 3.32 -1.39 0.80 116.42 121.99 1v5n h ASP 20 Ca 0.23 0.21 0.18 0.00 0.02 0.00 0.00 57.03 57.67 1v5n h ASP 20 Cb 0.49 0.29 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 1v5n h ASP 20 CO -0.59 -0.19 0.57 -0.08 -1.72 0.00 0.00 179.24 177.23 1v5n h GLU 21 N 0.17 0.45 -0.05 3.56 4.22 -0.87 0.20 114.58 122.27 1v5n h GLU 21 Ca 0.57 -0.03 -0.17 0.00 0.08 0.00 0.00 59.36 59.82 1v5n h GLU 21 Cb 1.19 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1v5n h GLU 21 CO -0.69 0.30 -0.70 0.82 -2.18 0.00 0.00 179.01 176.56 1v5n h ILE 22 N 0.47 1.42 -0.76 2.32 2.04 0.65 -3.18 117.51 120.46 1v5n h ILE 22 Ca 0.45 -2.19 -0.48 0.00 1.00 0.00 0.00 64.86 63.63 1v5n h ILE 22 Cb 1.02 2.15 -0.27 0.00 -0.74 0.00 0.00 36.82 38.98 1v5n h ILE 22 CO -0.18 0.65 0.21 0.00 0.00 0.00 0.00 178.15 178.83 1v5n n ALA 23 N -2.47 5.37 -0.18 1.87 0.00 0.46 -4.65 120.51 120.92 1v5n n ALA 23 Ca -0.03 -3.35 -0.10 0.00 0.00 0.00 0.00 53.44 49.96 1v5n n ALA 23 Cb 0.68 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 19.02 1v5n n ALA 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1v5n h LYS 24 N 1.57 0.94 0.00 0.00 1.79 -0.85 -3.22 116.57 116.81 1v5n h LYS 24 Ca 0.46 -0.33 -0.29 0.00 -2.18 0.00 0.00 60.65 58.30 1v5n h LYS 24 Cb 1.59 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 32.12 1v5n h LYS 24 CO 0.99 0.99 -1.77 -0.25 -1.08 0.00 0.00 179.45 178.33 1v5n n ASP 25 N -4.24 0.77 -4.65 0.86 9.92 -1.26 -4.92 116.55 113.02 1v5n n ASP 25 Ca 0.01 0.36 -0.50 0.00 -0.53 0.00 0.00 54.79 54.13 1v5n n ASP 25 Cb 0.36 0.08 -0.05 0.00 -0.64 0.00 0.00 41.12 40.87 1v5n n ASP 25 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1v5n n TRP 26 N -3.00 1.97 -1.24 1.24 7.02 -1.22 -4.94 117.44 117.28 1v5n n TRP 26 Ca -0.18 0.40 -0.31 0.00 -1.02 0.00 0.00 57.50 56.39 1v5n n TRP 26 Cb 1.05 -2.47 0.10 0.00 -2.42 0.00 0.00 31.31 27.57 1v5n n TRP 26 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1v5n s PRO 27 N 1.73 1.99 0.05 -0.99 0.04 -1.26 -4.98 135.00 131.58 1v5n s PRO 27 Ca 0.86 1.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 1v5n s PRO 27 Cb -0.85 -1.87 -0.30 0.00 0.04 0.00 0.00 34.50 31.52 1v5n s PRO 27 CO 0.48 -1.80 1.07 0.87 0.04 0.00 0.00 177.00 177.65 1v5n h LYS 28 N -1.24 0.34 -5.72 4.56 1.79 -1.94 -3.43 116.57 110.93 1v5n h LYS 28 Ca -0.45 -0.59 -0.68 0.00 -2.18 0.00 0.00 60.65 56.75 1v5n h LYS 28 Cb 1.24 0.22 -0.32 0.00 -1.58 0.00 0.00 32.23 31.79 1v5n h LYS 28 CO 0.52 1.27 -0.88 0.15 -1.08 0.00 0.00 179.45 179.43 1v5n s LYS 29 N -2.64 2.66 0.02 3.15 -0.14 -1.26 -1.64 119.74 119.90 1v5n s LYS 29 Ca -0.06 -0.87 0.06 0.00 -1.36 0.00 0.00 55.97 53.74 1v5n s LYS 29 Cb 0.06 -2.16 -0.02 0.00 -1.68 0.00 0.00 37.83 34.03 1v5n s LYS 29 CO 0.90 0.30 -0.19 0.54 -0.76 0.00 0.00 175.35 176.14 1v5n s VAL 30 N 0.03 1.49 -0.82 3.17 0.11 -0.97 -4.94 120.40 118.47 1v5n s VAL 30 Ca -0.09 -1.00 -0.07 0.00 -2.93 0.00 0.00 61.98 57.89 1v5n s VAL 30 Cb -0.15 -1.28 0.21 0.00 -1.53 0.00 0.00 36.38 33.63 1v5n s VAL 30 CO 0.05 0.26 0.72 -0.75 -3.33 0.00 0.00 175.10 172.05 1v5n s LYS 31 N -0.87 3.29 0.68 1.54 2.47 -1.26 -0.61 119.74 124.98 1v5n s LYS 31 Ca 0.06 -2.80 -0.12 0.00 -1.56 0.00 0.00 55.97 51.56 1v5n s LYS 31 Cb -0.08 -4.12 0.00 0.00 -1.46 0.00 0.00 37.83 32.18 1v5n s LYS 31 CO 0.01 -1.24 1.06 -1.58 0.16 0.00 0.00 175.35 173.76 1v5n s HIS 32 N -0.50 3.03 -0.01 4.03 5.65 -1.26 -4.87 115.29 121.37 1v5n s HIS 32 Ca 0.22 1.45 -0.20 0.00 0.25 0.00 0.00 55.06 56.78 1v5n s HIS 32 Cb -0.13 -2.92 -0.24 0.00 -1.18 0.00 0.00 32.58 28.11 1v5n s HIS 32 CO -0.08 -1.27 1.07 -0.24 -0.65 0.00 0.00 174.74 173.57 1v5n h VAL 33 N -0.52 1.45 0.00 0.89 3.04 -1.95 0.50 116.25 119.65 1v5n h VAL 33 Ca -0.44 -2.12 -0.03 0.00 -1.01 0.00 0.00 66.70 63.10 1v5n h VAL 33 Cb 1.21 2.68 -0.00 0.00 -2.01 0.00 0.00 31.29 33.17 1v5n h VAL 33 CO 0.56 0.61 -0.14 -0.07 -1.01 0.00 0.00 177.57 177.52 1v5n h LEU 34 N -0.17 0.00 -2.99 3.16 3.38 -1.98 -2.75 115.31 113.95 1v5n h LEU 34 Ca -0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1v5n h LEU 34 Cb 1.32 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.98 1v5n h LEU 34 CO 0.12 0.14 -0.60 1.57 0.09 0.00 0.00 178.44 179.76 1v5n n HIS 35 N -3.98 0.00 -0.40 1.13 -0.00 -1.22 -4.83 115.22 105.92 1v5n n HIS 35 Ca -0.02 -1.24 0.32 0.00 0.46 0.00 0.00 57.72 57.24 1v5n n HIS 35 Cb 0.23 -0.22 0.59 0.00 -0.12 0.00 0.00 29.99 30.47 1v5n n HIS 35 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1v5n h GLU 36 N 0.95 0.16 -0.71 1.57 -0.00 0.33 -0.80 114.58 116.08 1v5n h GLU 36 Ca -0.05 -0.01 0.13 0.00 -0.00 0.00 0.00 59.36 59.43 1v5n h GLU 36 Cb 1.20 -0.04 -0.13 0.00 -0.00 0.00 0.00 28.75 29.79 1v5n h GLU 36 CO 0.02 0.10 -0.20 0.39 -0.00 0.00 0.00 179.01 179.33 1v5n n GLU 37 N -4.80 -0.09 -4.20 1.06 -0.58 -1.26 -4.53 120.64 106.24 1v5n n GLU 37 Ca 0.35 1.10 -0.12 0.00 -0.42 0.00 0.00 57.16 58.07 1v5n n GLU 37 Cb 1.26 -1.64 -0.10 0.00 -0.57 0.00 0.00 31.44 30.40 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 -5.84 1.05 -0.38 -0.32 3.76 -0.31 -5.13 115.29 108.13 1v5n s HIS 38 Ca -0.10 -1.12 -0.16 0.00 -0.15 0.00 0.00 55.06 53.53 1v5n s HIS 38 Cb 0.18 -0.60 0.00 0.00 1.11 0.00 0.00 32.58 33.27 1v5n s HIS 38 CO 0.54 -0.35 0.38 -1.21 -0.85 0.00 0.00 174.74 173.24 1v5n s GLU 39 N -3.98 3.34 1.12 1.40 2.02 -1.26 -4.54 118.70 116.80 1v5n s GLU 39 Ca 0.24 -0.60 -0.18 0.00 0.02 0.00 0.00 54.97 54.44 1v5n s GLU 39 Cb 0.07 -3.88 0.13 0.00 0.10 0.00 0.00 34.13 30.55 1v5n s GLU 39 CO 0.03 -0.65 0.06 1.28 0.02 0.00 0.00 175.26 176.00 1v5n n LEU 40 N 5.42 -2.11 -3.65 1.80 7.99 0.22 -4.53 117.00 122.14 1v5n n LEU 40 Ca -0.09 -0.21 -0.29 0.00 -0.01 0.00 0.00 56.01 55.41 1v5n n LEU 40 Cb 0.48 -0.91 -0.15 0.00 -0.11 0.00 0.00 43.42 42.73 1v5n n LEU 40 CO 0.42 -3.15 -0.33 -0.70 -1.51 0.00 0.00 177.39 172.12 1v5n s GLU 41 N -3.49 0.48 -0.70 3.23 2.12 0.66 -2.30 118.70 118.71 1v5n s GLU 41 Ca 0.52 -0.79 -0.23 0.00 0.36 0.00 0.00 54.97 54.83 1v5n s GLU 41 Cb -0.10 -1.65 -0.16 0.00 0.26 0.00 0.00 34.13 32.48 1v5n s GLU 41 CO 0.60 -0.97 1.92 -0.11 -0.54 0.00 0.00 175.26 176.15 1v5n n LEU 42 N 5.03 0.23 -4.58 2.70 7.94 -0.65 -2.95 117.00 124.72 1v5n n LEU 42 Ca -0.04 0.15 -0.34 0.00 -1.11 0.00 0.00 56.01 54.67 1v5n n LEU 42 Cb 0.42 -0.66 -0.11 0.00 0.53 0.00 0.00 43.42 43.60 1v5n n LEU 42 CO 0.08 -0.52 -0.38 -0.89 -1.11 0.00 0.00 177.39 174.57 1v5n s THR 43 N 6.35 3.67 -0.01 1.96 2.01 -0.22 -4.89 115.64 124.51 1v5n s THR 43 Ca 0.97 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1v5n s THR 43 Cb -0.92 -2.50 -0.07 0.00 0.01 0.00 0.00 72.50 69.03 1v5n s THR 43 CO 0.36 0.60 1.67 -0.13 -0.69 0.00 0.00 174.62 176.43 1v5n s ARG 44 N -0.80 4.19 -0.01 4.92 1.81 -1.26 -2.31 118.95 125.48 1v5n s ARG 44 Ca 0.12 2.26 -0.00 0.00 -1.72 0.00 0.00 55.73 56.39 1v5n s ARG 44 Cb -0.11 -3.88 0.01 0.00 -0.45 0.00 0.00 34.95 30.53 1v5n s ARG 44 CO 0.01 -0.81 0.03 0.08 -0.68 0.00 0.00 175.30 173.93 1v5n s VAL 45 N 3.61 -0.02 -0.02 3.52 1.01 -1.26 -4.90 120.40 122.33 1v5n s VAL 45 Ca 0.75 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.56 1v5n s VAL 45 Cb -0.36 -0.06 -0.20 0.00 0.00 0.00 0.00 36.38 35.76 1v5n s VAL 45 CO 0.31 0.04 1.27 -0.61 0.00 0.00 0.00 175.10 176.12 1v5n h GLN 46 N 6.62 0.01 -2.86 2.72 4.15 -1.93 2.13 115.11 125.96 1v5n h GLN 46 Ca -0.33 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 58.97 1v5n h GLN 46 Cb 1.17 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.65 1v5n h GLN 46 CO 0.49 0.49 -0.22 0.08 -1.93 0.00 0.00 178.83 177.73 1v5n s VAL 47 N -4.28 0.04 0.17 2.39 1.01 -1.26 -3.56 120.40 114.90 1v5n s VAL 47 Ca -0.16 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1v5n s VAL 47 Cb 0.02 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1v5n s VAL 47 CO 0.68 -0.17 0.45 0.00 0.00 0.00 0.00 175.10 176.06 1v5n n TYR 48 N 1.66 -1.46 -3.85 5.22 4.11 -1.22 -4.99 117.16 116.62 1v5n n TYR 48 Ca -0.19 -0.85 -0.30 0.00 -0.00 0.00 0.00 57.90 56.56 1v5n n TYR 48 Cb 0.56 0.42 -0.15 0.00 -0.00 0.00 0.00 39.34 40.17 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 -2.46 1.25 0.29 -3.48 2.01 -1.26 -3.63 115.64 108.35 1v5n s THR 49 Ca 0.09 -1.33 -0.30 0.00 0.31 0.00 0.00 61.69 60.47 1v5n s THR 49 Cb -0.02 -1.75 -0.11 0.00 0.01 0.00 0.00 72.50 70.63 1v5n s THR 49 CO 0.05 -0.38 1.50 0.00 -0.69 0.00 0.00 174.62 175.10 1v5n n ASP 51 N 1.94 5.06 0.07 0.00 -0.08 -1.25 -3.23 116.55 119.06 1v5n n ASP 51 Ca 0.06 -3.68 0.00 0.00 -1.51 0.00 0.00 54.79 49.66 1v5n n ASP 51 Cb 0.39 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 42.98 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1v5n n LYS 52 N -1.06 0.00 0.00 -0.67 4.81 -1.26 -4.85 118.16 115.12 1v5n n LYS 52 Ca 0.60 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 58.13 1v5n n LYS 52 Cb 1.30 -0.32 0.03 0.00 0.02 0.00 0.00 35.03 36.05 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 0.32 -4.54 -4.50 0.00 1.02 -1.20 -5.04 120.64 106.69 1v5n n GLU 54 Ca 0.09 0.53 -0.24 0.00 -0.02 0.00 0.00 57.16 57.52 1v5n n GLU 54 Cb 0.41 -4.62 -0.10 0.00 -0.02 0.00 0.00 31.44 27.10 1v5n n GLU 54 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1v5n s GLU 55 N -5.28 1.76 -0.20 3.49 0.41 -1.25 -4.93 118.70 112.71 1v5n s GLU 55 Ca 0.16 -1.99 -0.02 0.00 -0.41 0.00 0.00 54.97 52.71 1v5n s GLU 55 Cb -0.07 -1.04 0.00 0.00 -1.78 0.00 0.00 34.13 31.24 1v5n s GLU 55 CO 0.46 -0.18 -0.11 -2.00 -0.49 0.00 0.00 175.26 172.94 1v5n s GLU 56 N -3.84 3.22 0.68 1.61 2.12 -1.26 0.67 118.70 121.90 1v5n s GLU 56 Ca 0.34 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.97 1v5n s GLU 56 Cb 0.08 -2.82 0.11 0.00 0.26 0.00 0.00 34.13 31.77 1v5n s GLU 56 CO 0.16 -0.19 0.94 0.20 -0.54 0.00 0.00 175.26 175.83 1v5n s GLY 57 N 1.36 1.77 -0.15 -1.50 0.00 -1.24 -4.90 107.32 102.66 1v5n s GLY 57 Ca 0.05 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 42.88 1v5n s GLY 57 CO -0.07 -1.20 0.44 -0.51 0.00 0.00 0.00 173.10 171.76 1v5n s THR 58 N -3.04 0.01 -1.44 0.90 -4.23 -1.26 -3.42 115.64 103.16 1v5n s THR 58 Ca 0.65 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1v5n s THR 58 Cb -0.06 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.14 1v5n s THR 58 CO 0.43 -0.03 0.00 -0.38 -0.54 0.00 0.00 174.62 174.10 1v5n n ILE 59 N 2.59 -0.36 -3.65 2.99 -0.00 0.72 -4.86 119.36 116.79 1v5n n ILE 59 Ca -0.14 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.62 1v5n n ILE 59 Cb 0.57 -1.79 -0.06 0.00 -0.00 0.00 0.00 39.64 38.36 1v5n n ILE 59 CO 0.00 0.00 0.00 0.26 -0.00 0.00 0.00 176.55 176.81 1v5n s TRP 60 N -2.51 -0.01 -0.30 1.39 0.23 -1.05 -4.60 118.94 112.09 1v5n s TRP 60 Ca 0.00 0.03 -0.19 0.00 -2.03 0.00 0.00 56.10 53.91 1v5n s TRP 60 Cb 0.00 0.14 0.19 0.00 0.03 0.00 0.00 33.47 33.83 1v5n s TRP 60 CO 0.00 -0.01 1.25 0.45 0.96 0.00 0.00 176.95 179.61 1v5n s SER 61 N 0.74 -0.13 -0.59 2.95 0.15 -0.98 -4.71 113.70 111.12 1v5n s SER 61 Ca -0.04 0.18 -0.26 0.00 0.70 0.00 0.00 55.95 56.53 1v5n s SER 61 Cb -0.03 1.15 -0.03 0.00 -1.71 0.00 0.00 66.02 65.40 1v5n s SER 61 CO -0.11 -0.03 1.95 -0.31 1.20 0.00 0.00 173.24 175.94 1v5n s TYR 62 N 2.11 1.57 0.12 3.44 2.02 -0.53 -1.05 117.35 125.03 1v5n s TYR 62 Ca 0.00 0.91 0.04 0.00 -0.37 0.00 0.00 57.07 57.65 1v5n s TYR 62 Cb -0.01 -4.01 -0.04 0.00 -0.40 0.00 0.00 41.96 37.50 1v5n s TYR 62 CO -0.16 -2.35 0.14 -1.58 -1.57 0.00 0.00 175.55 170.03 1v5n s HIS 63 N 9.56 3.22 -0.15 2.71 5.65 -1.15 -1.96 115.29 133.17 1v5n s HIS 63 Ca 0.72 0.05 0.00 0.00 0.25 0.00 0.00 55.06 56.08 1v5n s HIS 63 Cb -0.13 -1.58 0.02 0.00 -1.18 0.00 0.00 32.58 29.71 1v5n s HIS 63 CO 0.22 0.52 -0.15 0.00 -0.65 0.00 0.00 174.74 174.68 1v5n n ASP 65 N 4.75 4.59 0.00 0.00 2.03 -1.26 -0.71 116.55 125.95 1v5n n ASP 65 Ca -0.18 -2.25 0.00 0.00 0.52 0.00 0.00 54.79 52.89 1v5n n ASP 65 Cb 0.50 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 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 1.28 0.33 0.00 -0.67 2.13 -1.26 -4.89 120.64 117.56 1v5n n GLU 66 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1v5n n GLU 66 Cb 0.48 -0.62 0.00 0.00 0.27 0.00 0.00 31.44 31.57 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 -0.36 -3.32 -4.93 0.00 9.92 0.11 -5.03 116.55 112.95 1v5n n ASP 68 Ca 0.00 -0.42 -0.20 0.00 -0.53 0.00 0.00 54.79 53.63 1v5n n ASP 68 Cb 0.04 -3.51 0.05 0.00 -0.64 0.00 0.00 41.12 37.06 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1v5n s PHE 69 N -3.24 2.37 -0.28 1.24 5.36 -1.24 -4.87 117.98 117.32 1v5n s PHE 69 Ca 0.13 -0.26 -0.17 0.00 -0.96 0.00 0.00 56.93 55.67 1v5n s PHE 69 Cb -0.02 -2.64 0.08 0.00 -0.34 0.00 0.00 43.02 40.10 1v5n s PHE 69 CO 0.47 -0.99 0.69 -0.51 -1.46 0.00 0.00 175.22 173.42 1v5n s ASP 70 N -4.51 -0.91 0.32 6.13 1.11 -1.20 -3.17 116.67 114.45 1v5n s ASP 70 Ca 0.59 1.49 0.03 0.00 0.18 0.00 0.00 52.55 54.85 1v5n s ASP 70 Cb -0.09 1.39 -0.02 0.00 1.07 0.00 0.00 42.92 45.28 1v5n s ASP 70 CO 0.39 -0.24 0.33 -0.76 1.18 0.00 0.00 175.17 176.07 1v5n s LEU 71 N 1.41 1.42 0.26 1.23 1.43 -0.83 -3.74 118.68 119.86 1v5n s LEU 71 Ca -0.08 -1.62 -0.03 0.00 -1.03 0.00 0.00 54.13 51.37 1v5n s LEU 71 Cb -0.05 0.87 -0.05 0.00 0.03 0.00 0.00 46.19 46.99 1v5n s LEU 71 CO -0.16 -1.12 0.49 -1.00 0.23 0.00 0.00 176.35 174.79 1v5n s HIS 72 N -3.39 3.48 0.21 0.29 3.76 -1.26 -1.46 115.29 116.93 1v5n s HIS 72 Ca 0.37 0.51 -0.10 0.00 -0.15 0.00 0.00 55.06 55.69 1v5n s HIS 72 Cb 0.02 -2.00 0.17 0.00 1.11 0.00 0.00 32.58 31.88 1v5n s HIS 72 CO 0.23 0.25 1.88 0.00 -0.85 0.00 0.00 174.74 176.25 1v5n h ALA 73 N 1.74 0.99 0.04 -1.40 0.00 -1.97 -1.25 119.26 117.41 1v5n h ALA 73 Ca -0.48 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 1v5n h ALA 73 Cb 1.19 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1v5n h ALA 73 CO 0.66 0.41 -0.61 1.57 0.00 0.00 0.00 179.25 181.29 1v5n h LYS 74 N 1.06 0.34 -0.53 0.00 2.10 -1.98 -2.52 116.57 115.05 1v5n h LYS 74 Ca 0.29 -0.42 0.10 0.00 -2.00 0.00 0.00 60.65 58.61 1v5n h LYS 74 Cb -0.11 0.13 -0.08 0.00 -0.90 0.00 0.00 32.23 31.27 1v5n h LYS 74 CO -0.06 1.12 0.07 0.00 -2.00 0.00 0.00 179.45 178.58 1v5n h ALA 76 N 1.44 -0.29 -0.85 0.00 0.00 -1.32 -3.18 119.26 115.05 1v5n h ALA 76 Ca 0.27 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.20 1v5n h ALA 76 Cb 0.39 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.17 1v5n h ALA 76 CO -0.38 -0.47 0.31 -0.07 0.00 0.00 0.00 179.25 178.64 1v5n h LEU 77 N -0.67 0.19 -9.29 0.00 3.38 -1.11 -3.38 115.31 104.43 1v5n h LEU 77 Ca -0.03 0.16 -0.58 0.00 0.09 0.00 0.00 57.88 57.52 1v5n h LEU 77 Cb 0.47 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 1v5n h LEU 77 CO 0.05 -0.03 -0.23 0.20 0.09 0.00 0.00 178.44 178.52 1v5n s ASN 78 N -5.18 6.55 -0.32 -0.43 0.01 -0.00 -4.98 114.94 110.58 1v5n s ASN 78 Ca -0.12 0.65 0.13 0.00 -0.71 0.00 0.00 52.86 52.80 1v5n s ASN 78 Cb 0.24 -2.23 0.47 0.00 0.41 0.00 0.00 41.25 40.13 1v5n s ASN 78 CO 0.77 0.03 1.11 -1.84 -1.51 0.00 0.00 177.10 175.67 1v5n n GLU 79 N 3.72 2.68 -1.78 -0.60 0.28 -1.26 -4.75 120.64 118.93 1v5n n GLU 79 Ca -0.09 -3.92 -0.31 0.00 -0.16 0.00 0.00 57.16 52.68 1v5n n GLU 79 Cb 0.52 -1.93 0.04 0.00 1.43 0.00 0.00 31.44 31.50 1v5n n GLU 79 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1v5n n ASP 80 N -0.53 6.37 -3.73 -1.84 9.92 -1.26 -4.95 116.55 120.52 1v5n n ASP 80 Ca 0.27 -3.77 -0.16 0.00 -0.53 0.00 0.00 54.79 50.60 1v5n n ASP 80 Cb 0.84 -0.71 -0.16 0.00 -0.64 0.00 0.00 41.12 40.45 1v5n n ASP 80 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1v5n s THR 81 N -4.86 -0.09 -0.26 -3.53 -4.23 -1.26 -5.03 115.64 96.38 1v5n s THR 81 Ca 0.56 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 61.35 1v5n s THR 81 Cb 0.45 -0.14 -0.17 0.00 1.34 0.00 0.00 72.50 73.98 1v5n s THR 81 CO -0.07 0.11 -0.22 2.29 -0.54 0.00 0.00 174.62 176.20 1v5n n LYS 82 N 4.53 0.65 -1.57 3.99 -0.00 -1.26 -4.98 118.16 119.53 1v5n n LYS 82 Ca -0.20 0.16 -0.47 0.00 -0.00 0.00 0.00 58.31 57.80 1v5n n LYS 82 Cb 0.50 -1.52 -0.03 0.00 -0.00 0.00 0.00 35.03 33.98 1v5n n LYS 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1v5n n GLU 83 N -3.34 1.16 -3.71 -1.58 -0.00 -1.26 -4.99 120.64 106.92 1v5n n GLU 83 Ca -0.46 0.41 -0.11 0.00 -0.00 0.00 0.00 57.16 56.99 1v5n n GLU 83 Cb 0.98 -1.81 -0.12 0.00 -0.00 0.00 0.00 31.44 30.50 1v5n n GLU 83 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1v5n s SER 84 N -0.34 -0.40 -0.08 -1.84 1.04 -1.26 -5.12 113.70 105.70 1v5n s SER 84 Ca 0.66 0.72 -0.23 0.00 0.48 0.00 0.00 55.95 57.58 1v5n s SER 84 Cb -0.79 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 1v5n s SER 84 CO 0.56 -0.18 0.70 -0.83 0.98 0.00 0.00 173.24 174.48 1v5n s GLY 85 N 1.30 2.55 0.00 7.32 0.00 -1.26 -4.93 107.32 112.30 1v5n s GLY 85 Ca -0.09 0.10 0.11 0.00 0.00 0.00 0.00 44.72 44.84 1v5n s GLY 85 CO -0.11 1.22 1.08 -1.55 0.00 0.00 0.00 173.10 173.75 1v5n n PRO 86 N 3.97 0.49 -1.79 2.90 -0.04 -1.26 -4.78 135.00 134.49 1v5n n PRO 86 Ca -0.01 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1v5n n PRO 86 Cb 0.51 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 1v5n n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v5n s SER 87 N -1.85 6.12 -0.31 3.54 0.15 -1.26 -4.96 113.70 115.14 1v5n s SER 87 Ca 0.16 2.12 -0.14 0.00 0.70 0.00 0.00 55.95 58.80 1v5n s SER 87 Cb 0.07 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 1v5n s SER 87 CO 0.13 -1.39 0.31 -0.94 1.20 0.00 0.00 173.24 172.54 1v5n s SER 88 N 5.56 6.14 0.00 5.45 1.04 -1.26 -5.09 113.70 125.54 1v5n s SER 88 Ca 0.87 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1v5n s SER 88 Cb -0.34 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1v5n s SER 88 CO 0.36 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.98