#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 0.73 0.23 1.61 0.15 -1.26 -5.15 113.70 110.00 1v5n s SER 2 Ca 0.00 -0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.42 1v5n s SER 2 Cb 0.00 -0.20 -0.08 0.00 -1.71 0.00 0.00 66.02 64.04 1v5n s SER 2 CO 0.00 0.02 0.60 -0.55 1.20 0.00 0.00 173.24 174.51 1v5n s SER 3 N 0.28 6.74 1.34 5.45 0.15 -1.26 -5.07 113.70 121.33 1v5n s SER 3 Ca -0.03 1.07 -0.19 0.00 0.70 0.00 0.00 55.95 57.50 1v5n s SER 3 Cb -0.07 -2.29 0.34 0.00 -1.71 0.00 0.00 66.02 62.30 1v5n s SER 3 CO -0.00 -0.05 0.96 -0.83 1.20 0.00 0.00 173.24 174.52 1v5n s GLY 4 N -2.12 1.45 0.19 9.45 0.00 -1.26 -5.06 107.32 109.97 1v5n s GLY 4 Ca 0.46 -0.53 0.05 0.00 0.00 0.00 0.00 44.72 44.70 1v5n s GLY 4 CO 0.20 0.38 -0.08 -0.45 0.00 0.00 0.00 173.10 173.15 1v5n s SER 5 N -2.81 1.98 0.24 1.64 0.15 -1.26 -5.17 113.70 108.46 1v5n s SER 5 Ca 0.69 -1.08 0.03 0.00 0.70 0.00 0.00 55.95 56.28 1v5n s SER 5 Cb -0.19 -0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.04 1v5n s SER 5 CO 0.61 -0.36 0.03 -0.44 1.20 0.00 0.00 173.24 174.28 1v5n s SER 6 N -3.24 1.66 0.00 5.45 0.01 -1.26 -5.13 113.70 111.19 1v5n s SER 6 Ca 0.22 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1v5n s SER 6 Cb 0.03 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1v5n s SER 6 CO 0.04 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1v5n n GLY 7 N -0.43 2.71 3.80 3.44 0.00 -1.26 -5.07 105.19 108.38 1v5n n GLY 7 Ca -0.04 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 1v5n n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5n s THR 8 N -2.26 4.14 0.63 2.61 -4.23 -1.26 -5.03 115.64 110.24 1v5n s THR 8 Ca 0.00 1.49 -0.16 0.00 -1.18 0.00 0.00 61.69 61.84 1v5n s THR 8 Cb 0.00 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 1v5n s THR 8 CO 0.00 -0.13 1.12 -1.83 -0.54 0.00 0.00 174.62 173.24 1v5n s GLU 9 N -2.78 2.90 -0.11 3.99 -1.05 -1.26 -4.99 118.70 115.41 1v5n s GLU 9 Ca 0.59 1.46 -0.25 0.00 -0.15 0.00 0.00 54.97 56.63 1v5n s GLU 9 Cb -0.15 -1.96 -0.21 0.00 -0.44 0.00 0.00 34.13 31.37 1v5n s GLU 9 CO 0.19 -1.18 0.79 1.49 0.95 0.00 0.00 175.26 177.50 1v5n h GLU 10 N 0.30 -0.03 -6.16 -4.83 4.81 -2.05 -3.44 114.58 103.19 1v5n h GLU 10 Ca -0.48 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.19 1v5n h GLU 10 Cb 1.25 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1v5n h GLU 10 CO 0.55 0.72 0.78 1.03 -0.73 0.00 0.00 179.01 181.36 1v5n s ARG 11 N -2.64 4.29 -0.34 1.92 3.00 -1.26 -4.93 118.95 118.99 1v5n s ARG 11 Ca -0.16 1.50 0.06 0.00 0.00 0.00 0.00 55.73 57.13 1v5n s ARG 11 Cb -0.02 -3.65 0.46 0.00 0.00 0.00 0.00 34.95 31.74 1v5n s ARG 11 CO 0.59 -0.58 1.28 1.28 0.00 0.00 0.00 175.30 177.87 1v5n n LEU 12 N 6.07 5.23 0.01 2.53 4.77 -1.26 -4.87 117.00 129.48 1v5n n LEU 12 Ca 0.12 -4.72 -0.02 0.00 -0.03 0.00 0.00 56.01 51.36 1v5n n LEU 12 Cb 0.46 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1v5n n LEU 12 CO 0.54 2.04 0.50 0.11 -1.33 0.00 0.00 177.39 179.25 1v5n h LYS 13 N 2.18 -0.10 0.49 3.23 1.57 -2.00 0.25 116.57 122.19 1v5n h LYS 13 Ca 0.39 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 1v5n h LYS 13 Cb 1.44 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 1v5n h LYS 13 CO 0.85 -0.07 -0.49 1.49 -0.57 0.00 0.00 179.45 180.67 1v5n h GLU 14 N -0.11 -0.95 -0.67 3.15 4.81 -2.00 -2.68 114.58 116.14 1v5n h GLU 14 Ca 0.00 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1v5n h GLU 14 Cb 0.11 0.22 -0.08 0.00 0.63 0.00 0.00 28.75 29.63 1v5n h GLU 14 CO -0.05 -0.63 -0.40 -0.89 -0.73 0.00 0.00 179.01 176.31 1v5n n ILE 15 N -5.56 -0.46 -0.27 2.32 2.08 -1.19 0.27 119.36 116.55 1v5n n ILE 15 Ca -0.12 1.99 0.06 0.00 0.56 0.00 0.00 62.75 65.24 1v5n n ILE 15 Cb 0.46 -2.50 0.17 0.00 -0.75 0.00 0.00 39.64 37.02 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 0.08 -0.75 0.38 4.39 -0.83 0.29 114.58 118.14 1v5n h GLU 16 Ca 0.11 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1v5n h GLU 16 Cb 0.28 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1v5n h GLU 16 CO -0.63 0.05 0.36 0.00 -1.16 0.00 0.00 179.01 177.63 1v5n h ALA 17 N 1.76 0.97 -0.80 3.43 0.00 0.16 -2.69 119.26 122.08 1v5n h ALA 17 Ca 0.43 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1v5n h ALA 17 Cb 0.77 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1v5n h ALA 17 CO -0.72 0.53 0.43 -0.22 0.00 0.00 0.00 179.25 179.27 1v5n h LYS 18 N 1.05 0.67 -0.26 0.00 3.64 0.28 -1.91 116.57 120.04 1v5n h LYS 18 Ca 0.26 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1v5n h LYS 18 Cb 0.11 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1v5n h LYS 18 CO -0.03 0.44 0.02 1.88 -2.27 0.00 0.00 179.45 179.49 1v5n h TYR 19 N 0.69 0.03 -0.98 1.91 0.05 -1.03 -1.93 116.97 115.70 1v5n h TYR 19 Ca 0.41 0.02 0.32 0.00 0.05 0.00 0.00 58.73 59.52 1v5n h TYR 19 Cb 0.46 0.03 -0.15 0.00 1.01 0.00 0.00 36.73 38.07 1v5n h TYR 19 CO -0.08 -0.01 0.48 -0.44 -1.05 0.00 0.00 178.16 177.05 1v5n h ASP 20 N 0.11 0.35 -0.75 3.88 5.19 -1.30 0.97 116.42 124.87 1v5n h ASP 20 Ca 0.12 0.21 0.09 0.00 -0.62 0.00 0.00 57.03 56.83 1v5n h ASP 20 Cb 0.14 0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 1v5n h ASP 20 CO -0.19 -0.19 0.49 -0.08 -3.12 0.00 0.00 179.24 176.15 1v5n h GLU 21 N 0.24 0.68 -0.17 3.56 4.81 -1.32 -0.40 114.58 121.97 1v5n h GLU 21 Ca 0.71 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.81 1v5n h GLU 21 Cb 1.64 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1v5n h GLU 21 CO -0.65 0.45 -0.31 0.82 -0.73 0.00 0.00 179.01 178.58 1v5n h ILE 22 N 0.70 1.28 -0.88 2.32 2.04 0.94 -2.90 117.51 121.00 1v5n h ILE 22 Ca 0.34 -1.33 -0.54 0.00 1.00 0.00 0.00 64.86 64.33 1v5n h ILE 22 Cb 0.41 1.49 -0.28 0.00 -0.74 0.00 0.00 36.82 37.69 1v5n h ILE 22 CO -0.12 0.41 0.50 0.00 0.00 0.00 0.00 178.15 178.94 1v5n n ALA 23 N -2.48 5.67 -0.10 1.87 0.00 -0.22 -4.63 120.51 120.61 1v5n n ALA 23 Ca -0.01 -3.25 -0.10 0.00 0.00 0.00 0.00 53.44 50.08 1v5n n ALA 23 Cb 0.43 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 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 1.51 0.46 0.00 0.00 1.57 -1.16 -3.15 116.57 115.80 1v5n h LYS 24 Ca 0.54 -0.09 -0.26 0.00 -1.87 0.00 0.00 60.65 58.97 1v5n h LYS 24 Cb 1.75 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.94 1v5n h LYS 24 CO 1.17 0.49 -1.47 -0.44 -0.57 0.00 0.00 179.45 178.63 1v5n h ASP 25 N 0.35 0.00 -1.99 0.86 5.19 -1.85 -3.46 116.42 115.51 1v5n h ASP 25 Ca 0.10 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.88 1v5n h ASP 25 Cb 0.20 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.75 1v5n h ASP 25 CO -0.01 0.98 0.88 0.79 -3.12 0.00 0.00 179.24 178.76 1v5n n TRP 26 N -3.13 2.16 -1.22 4.55 7.02 -1.19 -4.94 117.44 120.68 1v5n n TRP 26 Ca -0.11 0.25 -0.30 0.00 -1.02 0.00 0.00 57.50 56.32 1v5n n TRP 26 Cb 1.01 -2.55 0.13 0.00 -2.42 0.00 0.00 31.31 27.48 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 2.43 1.48 0.03 -0.99 0.04 -1.26 -4.98 135.00 131.75 1v5n s PRO 27 Ca 0.88 0.90 -0.04 0.00 0.04 0.00 0.00 61.00 62.77 1v5n s PRO 27 Cb -0.78 -1.83 -0.28 0.00 0.04 0.00 0.00 34.50 31.65 1v5n s PRO 27 CO 0.48 -2.11 0.95 0.87 0.04 0.00 0.00 177.00 177.23 1v5n h LYS 28 N -1.46 0.27 -4.49 4.56 1.79 -1.94 -3.43 116.57 111.88 1v5n h LYS 28 Ca -0.48 -0.46 -0.58 0.00 -2.18 0.00 0.00 60.65 56.95 1v5n h LYS 28 Cb 1.27 0.17 -0.37 0.00 -1.58 0.00 0.00 32.23 31.73 1v5n h LYS 28 CO 0.54 1.16 -0.82 0.15 -1.08 0.00 0.00 179.45 179.40 1v5n s LYS 29 N -2.63 1.97 0.02 3.15 -0.14 -1.26 -2.03 119.74 118.81 1v5n s LYS 29 Ca -0.07 -0.55 0.06 0.00 -1.36 0.00 0.00 55.97 54.05 1v5n s LYS 29 Cb 0.07 -2.06 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 1v5n s LYS 29 CO 0.87 -0.31 -0.18 0.54 -0.76 0.00 0.00 175.35 175.50 1v5n s VAL 30 N 1.53 2.76 -0.87 3.17 0.11 -1.00 -4.91 120.40 121.19 1v5n s VAL 30 Ca 0.03 -1.08 -0.11 0.00 -2.93 0.00 0.00 61.98 57.89 1v5n s VAL 30 Cb -0.14 -2.12 0.23 0.00 -1.53 0.00 0.00 36.38 32.81 1v5n s VAL 30 CO -0.09 0.42 0.80 -0.75 -3.33 0.00 0.00 175.10 172.15 1v5n s LYS 31 N -1.20 3.58 0.59 1.54 2.20 -1.26 0.36 119.74 125.55 1v5n s LYS 31 Ca 0.13 -2.69 -0.19 0.00 -0.36 0.00 0.00 55.97 52.87 1v5n s LYS 31 Cb -0.10 -4.34 -0.04 0.00 -1.51 0.00 0.00 37.83 31.84 1v5n s LYS 31 CO 0.04 -1.26 1.19 -1.58 -0.36 0.00 0.00 175.35 173.37 1v5n s HIS 32 N -0.28 2.44 -0.02 4.03 5.65 -1.26 -4.79 115.29 121.07 1v5n s HIS 32 Ca 0.21 1.52 -0.26 0.00 0.25 0.00 0.00 55.06 56.79 1v5n s HIS 32 Cb -0.11 -3.43 -0.20 0.00 -1.18 0.00 0.00 32.58 27.65 1v5n s HIS 32 CO -0.08 -2.08 1.27 -0.24 -0.65 0.00 0.00 174.74 172.95 1v5n h VAL 33 N 0.90 1.39 0.00 0.89 3.04 -1.95 2.05 116.25 122.57 1v5n h VAL 33 Ca -0.50 -1.15 0.00 0.00 -1.01 0.00 0.00 66.70 64.03 1v5n h VAL 33 Cb 1.29 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 32.74 1v5n h VAL 33 CO 0.55 0.30 0.00 -0.07 -1.01 0.00 0.00 177.57 177.34 1v5n h LEU 34 N -0.48 0.00 -2.74 3.16 3.38 -1.99 -2.37 115.31 114.27 1v5n h LEU 34 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1v5n h LEU 34 Cb 0.49 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 1v5n h LEU 34 CO 0.00 0.00 -0.54 1.57 0.09 0.00 0.00 178.44 179.57 1v5n n HIS 35 N -2.87 0.00 -0.44 1.13 -0.00 -1.13 -4.86 115.22 107.05 1v5n n HIS 35 Ca -0.01 -0.72 0.39 0.00 0.46 0.00 0.00 57.72 57.83 1v5n n HIS 35 Cb 0.13 -0.15 0.66 0.00 -0.12 0.00 0.00 29.99 30.52 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 -0.46 -0.04 -0.23 1.57 0.28 0.69 -0.67 120.64 121.78 1v5n n GLU 36 Ca 0.10 1.27 0.12 0.00 -0.16 0.00 0.00 57.16 58.49 1v5n n GLU 36 Cb 0.81 -2.46 0.23 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 -4.81 -0.05 -4.10 3.44 4.71 -1.26 -4.49 120.64 114.08 1v5n n GLU 37 Ca 0.40 1.00 -0.09 0.00 -0.01 0.00 0.00 57.16 58.46 1v5n n GLU 37 Cb 1.51 -1.62 -0.09 0.00 -1.01 0.00 0.00 31.44 30.23 1v5n n GLU 37 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1v5n s HIS 38 N -5.50 0.73 -0.35 -0.32 3.76 0.15 -5.13 115.29 108.63 1v5n s HIS 38 Ca -0.08 -1.11 -0.14 0.00 -0.15 0.00 0.00 55.06 53.57 1v5n s HIS 38 Cb 0.20 -0.38 -0.01 0.00 1.11 0.00 0.00 32.58 33.51 1v5n s HIS 38 CO 0.53 -0.56 0.29 -1.21 -0.85 0.00 0.00 174.74 172.94 1v5n s GLU 39 N -4.02 3.42 1.12 1.40 2.02 -1.26 -4.34 118.70 117.04 1v5n s GLU 39 Ca 0.21 -0.64 -0.18 0.00 0.02 0.00 0.00 54.97 54.38 1v5n s GLU 39 Cb 0.07 -3.84 0.13 0.00 0.10 0.00 0.00 34.13 30.59 1v5n s GLU 39 CO 0.01 -0.53 0.08 1.28 0.02 0.00 0.00 175.26 176.11 1v5n n LEU 40 N 5.21 -2.13 -3.63 1.80 7.99 0.16 -4.54 117.00 121.86 1v5n n LEU 40 Ca -0.11 -0.21 -0.29 0.00 -0.01 0.00 0.00 56.01 55.39 1v5n n LEU 40 Cb 0.49 -0.92 -0.14 0.00 -0.11 0.00 0.00 43.42 42.74 1v5n n LEU 40 CO 0.39 -3.15 -0.31 -0.70 -1.51 0.00 0.00 177.39 172.11 1v5n s GLU 41 N -3.51 0.68 -0.34 3.23 2.12 0.36 -2.37 118.70 118.86 1v5n s GLU 41 Ca 0.53 -1.20 -0.10 0.00 0.36 0.00 0.00 54.97 54.56 1v5n s GLU 41 Cb -0.11 -1.73 -0.08 0.00 0.26 0.00 0.00 34.13 32.48 1v5n s GLU 41 CO 0.61 -1.08 0.92 -0.11 -0.54 0.00 0.00 175.26 175.05 1v5n n LEU 42 N 4.50 0.08 -4.61 2.70 7.94 -0.86 -3.66 117.00 123.08 1v5n n LEU 42 Ca 0.02 0.05 -0.34 0.00 -1.11 0.00 0.00 56.01 54.64 1v5n n LEU 42 Cb 0.39 -0.31 -0.11 0.00 0.53 0.00 0.00 43.42 43.93 1v5n n LEU 42 CO 0.13 -0.26 -0.36 -0.89 -1.11 0.00 0.00 177.39 174.91 1v5n s THR 43 N 2.97 3.87 0.04 1.96 2.01 0.20 -4.92 115.64 121.75 1v5n s THR 43 Ca 0.46 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1v5n s THR 43 Cb -0.43 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1v5n s THR 43 CO 0.17 0.59 1.24 -0.13 -0.69 0.00 0.00 174.62 175.80 1v5n s ARG 44 N -0.86 4.39 -0.09 4.92 1.81 -1.26 -1.23 118.95 126.62 1v5n s ARG 44 Ca 0.13 1.80 -0.10 0.00 -1.72 0.00 0.00 55.73 55.84 1v5n s ARG 44 Cb -0.11 -3.41 0.03 0.00 -0.45 0.00 0.00 34.95 31.01 1v5n s ARG 44 CO 0.02 -0.35 0.27 0.08 -0.68 0.00 0.00 175.30 174.64 1v5n s VAL 45 N 1.45 0.01 -0.04 3.52 1.01 -1.26 -4.91 120.40 120.18 1v5n s VAL 45 Ca 0.59 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.25 1v5n s VAL 45 Cb -0.29 -0.41 -0.21 0.00 0.00 0.00 0.00 36.38 35.47 1v5n s VAL 45 CO 0.28 -0.03 1.19 -0.61 0.00 0.00 0.00 175.10 175.92 1v5n h GLN 46 N 5.53 -0.02 -2.66 2.72 4.15 -1.94 0.68 115.11 123.57 1v5n h GLN 46 Ca -0.26 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.06 1v5n h GLN 46 Cb 1.19 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.68 1v5n h GLN 46 CO 0.34 0.53 -0.13 0.08 -1.93 0.00 0.00 178.83 177.72 1v5n s VAL 47 N -3.99 0.03 0.17 2.39 1.01 -1.26 -3.90 120.40 114.85 1v5n s VAL 47 Ca -0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1v5n s VAL 47 Cb 0.01 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1v5n s VAL 47 CO 0.67 -0.13 0.44 0.00 0.00 0.00 0.00 175.10 176.07 1v5n n TYR 48 N 1.53 -1.48 -3.89 5.22 4.11 -1.24 -5.00 117.16 116.40 1v5n n TYR 48 Ca -0.19 -0.86 -0.30 0.00 -0.00 0.00 0.00 57.90 56.55 1v5n n TYR 48 Cb 0.56 0.43 -0.16 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 -2.47 1.34 0.06 -3.48 2.01 -1.26 -3.69 115.64 108.14 1v5n s THR 49 Ca 0.09 -1.17 -0.30 0.00 0.31 0.00 0.00 61.69 60.61 1v5n s THR 49 Cb -0.02 -1.69 -0.08 0.00 0.01 0.00 0.00 72.50 70.71 1v5n s THR 49 CO 0.05 -0.19 1.74 0.00 -0.69 0.00 0.00 174.62 175.53 1v5n n ASP 51 N 6.16 3.94 0.04 0.00 2.03 -1.25 -2.45 116.55 125.03 1v5n n ASP 51 Ca 0.17 -2.67 0.00 0.00 0.52 0.00 0.00 54.79 52.81 1v5n n ASP 51 Cb 0.40 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1v5n n LYS 52 N 0.06 0.00 -0.06 -0.67 4.81 -1.26 -4.85 118.16 116.18 1v5n n LYS 52 Ca 0.22 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.78 1v5n n LYS 52 Cb 0.85 -0.17 0.20 0.00 0.02 0.00 0.00 35.03 35.93 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 1.20 -5.72 -2.82 0.00 -0.58 -1.02 -5.03 120.64 106.67 1v5n n GLU 54 Ca 0.16 0.72 -0.09 0.00 -0.42 0.00 0.00 57.16 57.53 1v5n n GLU 54 Cb 0.56 -5.37 -0.02 0.00 -0.57 0.00 0.00 31.44 26.03 1v5n n GLU 54 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1v5n n GLU 55 N -3.71 1.20 -3.86 3.49 -0.58 -1.23 -4.91 120.64 111.05 1v5n n GLU 55 Ca -0.23 -1.16 -0.26 0.00 -0.42 0.00 0.00 57.16 55.09 1v5n n GLU 55 Cb 0.64 0.47 -0.17 0.00 -0.57 0.00 0.00 31.44 31.81 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 -2.55 1.20 0.77 3.49 2.12 -1.26 0.66 118.70 123.14 1v5n s GLU 56 Ca 0.03 -0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.18 1v5n s GLU 56 Cb 0.00 -1.42 0.15 0.00 0.26 0.00 0.00 34.13 33.12 1v5n s GLU 56 CO 0.02 -0.30 1.06 0.20 -0.54 0.00 0.00 175.26 175.71 1v5n s GLY 57 N 1.79 1.76 -0.16 -1.50 0.00 -1.24 -4.91 107.32 103.06 1v5n s GLY 57 Ca 0.05 -1.76 -0.21 0.00 0.00 0.00 0.00 44.72 42.80 1v5n s GLY 57 CO -0.07 -1.12 0.55 -0.51 0.00 0.00 0.00 173.10 171.94 1v5n s THR 58 N -3.28 0.01 -1.15 0.90 -4.23 -1.26 -3.71 115.64 102.91 1v5n s THR 58 Ca 0.69 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1v5n s THR 58 Cb -0.04 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1v5n s THR 58 CO 0.46 -0.03 0.00 -0.38 -0.54 0.00 0.00 174.62 174.13 1v5n n ILE 59 N 2.29 -0.29 -3.65 2.99 2.08 0.24 -4.84 119.36 118.18 1v5n n ILE 59 Ca -0.15 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.15 1v5n n ILE 59 Cb 0.56 -1.43 -0.07 0.00 -0.75 0.00 0.00 39.64 37.95 1v5n n ILE 59 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 1v5n s TRP 60 N -2.31 -0.02 -0.30 1.39 0.23 -1.18 -4.66 118.94 112.09 1v5n s TRP 60 Ca 0.00 0.05 -0.16 0.00 -2.03 0.00 0.00 56.10 53.96 1v5n s TRP 60 Cb 0.00 0.35 0.18 0.00 0.03 0.00 0.00 33.47 34.03 1v5n s TRP 60 CO 0.00 -0.01 1.14 -1.54 0.96 0.00 0.00 176.95 177.50 1v5n s SER 61 N 0.32 -0.28 -0.79 2.95 1.04 -0.37 -4.69 113.70 111.89 1v5n s SER 61 Ca 0.03 0.42 -0.26 0.00 0.48 0.00 0.00 55.95 56.61 1v5n s SER 61 Cb -0.04 1.20 0.03 0.00 0.10 0.00 0.00 66.02 67.31 1v5n s SER 61 CO -0.14 -0.06 1.35 -0.31 0.98 0.00 0.00 173.24 175.06 1v5n s TYR 62 N 1.57 2.29 0.14 5.02 2.02 -0.68 0.58 117.35 128.29 1v5n s TYR 62 Ca -0.06 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1v5n s TYR 62 Cb -0.03 -4.61 -0.04 0.00 -0.40 0.00 0.00 41.96 36.89 1v5n s TYR 62 CO -0.14 -2.06 0.20 -1.58 -1.57 0.00 0.00 175.55 170.40 1v5n s HIS 63 N 5.82 3.32 -0.17 2.71 5.65 -1.23 -1.81 115.29 129.58 1v5n s HIS 63 Ca 0.39 0.07 0.01 0.00 0.25 0.00 0.00 55.06 55.78 1v5n s HIS 63 Cb -0.07 -1.61 0.02 0.00 -1.18 0.00 0.00 32.58 29.75 1v5n s HIS 63 CO 0.10 0.52 -0.18 0.00 -0.65 0.00 0.00 174.74 174.54 1v5n n ASP 65 N 4.66 3.42 0.00 0.00 2.03 -1.26 0.06 116.55 125.46 1v5n n ASP 65 Ca -0.19 -1.95 0.00 0.00 0.52 0.00 0.00 54.79 53.16 1v5n n ASP 65 Cb 0.50 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 0.90 0.30 0.00 -0.67 2.13 -1.26 -4.90 120.64 117.15 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 0.45 -0.63 0.00 0.00 0.27 0.00 0.00 31.44 31.53 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 -0.28 -3.86 -4.45 0.00 2.03 0.11 -4.99 116.55 105.10 1v5n n ASP 68 Ca 0.00 -0.54 -0.37 0.00 0.52 0.00 0.00 54.79 54.40 1v5n n ASP 68 Cb 0.05 -4.28 -0.12 0.00 -0.72 0.00 0.00 41.12 36.05 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1v5n s PHE 69 N -3.30 3.13 -0.01 -0.67 5.36 -1.25 -4.81 117.98 116.42 1v5n s PHE 69 Ca 0.18 -0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 55.70 1v5n s PHE 69 Cb -0.02 -2.29 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 1v5n s PHE 69 CO 0.59 -0.38 0.13 -0.51 -1.46 0.00 0.00 175.22 173.59 1v5n s ASP 70 N 1.62 6.00 0.35 6.13 1.01 -1.23 -2.48 116.67 128.07 1v5n s ASP 70 Ca 0.06 0.24 -0.04 0.00 0.71 0.00 0.00 52.55 53.52 1v5n s ASP 70 Cb -0.16 -1.80 0.01 0.00 1.01 0.00 0.00 42.92 41.98 1v5n s ASP 70 CO 0.05 0.27 0.52 -0.76 0.21 0.00 0.00 175.17 175.46 1v5n s LEU 71 N -1.79 0.89 0.20 1.23 1.43 -0.75 -3.88 118.68 116.01 1v5n s LEU 71 Ca 0.24 -1.44 -0.07 0.00 -1.03 0.00 0.00 54.13 51.83 1v5n s LEU 71 Cb -0.12 1.64 -0.06 0.00 0.03 0.00 0.00 46.19 47.68 1v5n s LEU 71 CO 0.15 -1.35 0.48 -1.00 0.23 0.00 0.00 176.35 174.86 1v5n s HIS 72 N -2.96 3.45 0.25 0.29 3.76 -1.26 -1.69 115.29 117.12 1v5n s HIS 72 Ca 0.29 0.71 -0.05 0.00 -0.15 0.00 0.00 55.06 55.85 1v5n s HIS 72 Cb -0.01 -2.13 0.33 0.00 1.11 0.00 0.00 32.58 31.88 1v5n s HIS 72 CO 0.19 0.33 1.87 0.00 -0.85 0.00 0.00 174.74 176.28 1v5n h ALA 73 N 2.55 1.23 0.16 -1.40 0.00 -1.96 -0.67 119.26 119.17 1v5n h ALA 73 Ca -0.47 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 1v5n h ALA 73 Cb 1.17 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 18.71 1v5n h ALA 73 CO 0.70 0.37 -1.26 1.57 0.00 0.00 0.00 179.25 180.63 1v5n h LYS 74 N 1.07 0.57 -0.41 0.00 2.10 -1.98 -2.81 116.57 115.11 1v5n h LYS 74 Ca 0.38 -0.83 0.05 0.00 -2.00 0.00 0.00 60.65 58.26 1v5n h LYS 74 Cb 0.11 0.29 -0.05 0.00 -0.90 0.00 0.00 32.23 31.68 1v5n h LYS 74 CO -0.15 1.38 0.13 0.00 -2.00 0.00 0.00 179.45 178.81 1v5n h ALA 76 N 1.28 0.64 0.83 0.00 0.00 -1.23 -3.29 119.26 117.49 1v5n h ALA 76 Ca 0.19 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1v5n h ALA 76 Cb 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1v5n h ALA 76 CO -0.21 0.52 -0.40 -0.07 0.00 0.00 0.00 179.25 179.09 1v5n h LEU 77 N 0.73 -0.94 -8.14 0.00 3.38 -1.15 -3.38 115.31 105.82 1v5n h LEU 77 Ca 0.12 0.03 -0.63 0.00 0.09 0.00 0.00 57.88 57.49 1v5n h LEU 77 Cb 0.64 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.50 1v5n h LEU 77 CO 0.04 -0.59 0.98 0.20 0.09 0.00 0.00 178.44 179.16 1v5n s ASN 78 N -4.28 6.41 -0.93 -0.43 -0.87 0.96 -4.96 114.94 110.83 1v5n s ASN 78 Ca -0.17 -1.38 -0.24 0.00 -1.57 0.00 0.00 52.86 49.50 1v5n s ASN 78 Cb 0.02 -2.47 0.03 0.00 -0.02 0.00 0.00 41.25 38.81 1v5n s ASN 78 CO 0.50 -1.40 1.47 -0.70 -2.57 0.00 0.00 177.10 174.41 1v5n s GLU 79 N 4.11 3.37 -0.11 -0.60 2.12 -1.26 -4.71 118.70 121.62 1v5n s GLU 79 Ca 0.34 -0.78 -0.04 0.00 0.36 0.00 0.00 54.97 54.85 1v5n s GLU 79 Cb -0.07 -5.03 -0.04 0.00 0.26 0.00 0.00 34.13 29.26 1v5n s GLU 79 CO -0.01 -2.32 0.03 0.34 -0.54 0.00 0.00 175.26 172.76 1v5n s ASP 80 N 5.09 5.48 1.01 -1.70 2.15 -1.26 -5.09 116.67 122.35 1v5n s ASP 80 Ca 0.46 0.18 -0.18 0.00 0.43 0.00 0.00 52.55 53.45 1v5n s ASP 80 Cb -0.03 -1.66 -0.05 0.00 -0.30 0.00 0.00 42.92 40.88 1v5n s ASP 80 CO -0.02 0.35 -0.42 0.35 -0.17 0.00 0.00 175.17 175.26 1v5n n THR 81 N 2.35 0.00 -1.30 1.71 -2.24 -1.26 -4.84 114.28 108.69 1v5n n THR 81 Ca -0.19 -0.26 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 1v5n n THR 81 Cb 0.54 -0.32 0.06 0.00 -2.10 0.00 0.00 70.33 68.51 1v5n n THR 81 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1v5n n LYS 82 N 0.22 0.35 -3.42 -0.78 2.85 -1.26 -5.01 118.16 111.10 1v5n n LYS 82 Ca 0.01 0.16 -0.08 0.00 -1.05 0.00 0.00 58.31 57.34 1v5n n LYS 82 Cb 0.61 -1.82 -0.08 0.00 -0.65 0.00 0.00 35.03 33.08 1v5n n LYS 82 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1v5n s GLU 83 N -2.66 0.35 0.79 -1.58 2.56 -1.26 -5.15 118.70 111.74 1v5n s GLU 83 Ca 0.66 0.68 -0.14 0.00 0.00 0.00 0.00 54.97 56.17 1v5n s GLU 83 Cb -0.36 -0.23 0.06 0.00 2.00 0.00 0.00 34.13 35.59 1v5n s GLU 83 CO 0.57 -0.54 1.08 0.43 -0.56 0.00 0.00 175.26 176.24 1v5n n SER 84 N 5.37 0.68 -4.43 -1.70 7.64 -1.26 -5.02 113.62 114.90 1v5n n SER 84 Ca -0.05 0.60 -0.32 0.00 1.01 0.00 0.00 58.87 60.11 1v5n n SER 84 Cb 0.50 -1.46 -0.14 0.00 -1.01 0.00 0.00 64.21 62.10 1v5n n SER 84 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v5n s GLY 85 N -1.95 1.47 0.35 0.23 0.00 -1.26 -5.11 107.32 101.05 1v5n s GLY 85 Ca 0.72 -1.03 -0.27 0.00 0.00 0.00 0.00 44.72 44.14 1v5n s GLY 85 CO 0.51 -0.83 1.21 2.56 0.00 0.00 0.00 173.10 176.55 1v5n s PRO 86 N -0.76 4.26 0.24 2.90 0.04 -1.26 -4.92 135.00 135.50 1v5n s PRO 86 Ca 0.11 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 1v5n s PRO 86 Cb -0.10 -2.91 0.33 0.00 0.04 0.00 0.00 34.50 31.85 1v5n s PRO 86 CO 0.01 -0.18 1.46 0.45 0.04 0.00 0.00 177.00 178.78 1v5n n SER 87 N 0.54 -0.48 -4.81 6.66 2.88 -1.26 -4.44 113.62 112.71 1v5n n SER 87 Ca 0.02 1.63 -0.22 0.00 -1.33 0.00 0.00 58.87 58.96 1v5n n SER 87 Cb 0.44 -0.43 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 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 -5.29 5.46 0.00 -3.46 0.01 -1.26 -5.32 113.70 103.83 1v5n s SER 88 Ca -0.13 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1v5n s SER 88 Cb 0.22 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 65.08 1v5n s SER 88 CO 0.70 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.93