#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 5.12 -0.20 1.61 0.01 -1.26 -5.03 113.70 113.95 1v5n s SER 2 Ca 0.00 -3.67 -0.27 0.00 1.31 0.00 0.00 55.95 53.32 1v5n s SER 2 Cb 0.00 -1.73 0.07 0.00 0.21 0.00 0.00 66.02 64.58 1v5n s SER 2 CO 0.00 -0.14 0.72 -0.94 0.41 0.00 0.00 173.24 173.29 1v5n s SER 3 N -0.85 -0.70 0.00 2.44 1.04 -1.26 -5.17 113.70 109.20 1v5n s SER 3 Ca 0.24 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1v5n s SER 3 Cb -0.09 1.13 0.00 0.00 0.10 0.00 0.00 66.02 67.16 1v5n s SER 3 CO -0.13 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1v5n n GLY 4 N 2.06 5.48 3.57 7.32 0.00 -1.26 -5.19 105.19 117.17 1v5n n GLY 4 Ca -0.16 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 1.00 0.45 0.34 1.61 0.01 -1.26 -5.17 113.70 110.69 1v5n s SER 5 Ca 0.00 -1.26 -0.12 0.00 1.31 0.00 0.00 55.95 55.88 1v5n s SER 5 Cb 0.00 0.67 -0.07 0.00 0.21 0.00 0.00 66.02 66.83 1v5n s SER 5 CO 0.00 -1.32 0.71 -0.44 0.41 0.00 0.00 173.24 172.60 1v5n s SER 6 N -3.14 6.62 0.62 2.44 0.01 -1.26 -4.90 113.70 114.09 1v5n s SER 6 Ca 0.25 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1v5n s SER 6 Cb -0.01 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1v5n s SER 6 CO 0.15 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1v5n n GLY 7 N -0.76 2.84 3.05 3.44 0.00 -1.26 -4.65 105.19 107.85 1v5n n GLY 7 Ca 0.02 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.26 0.38 2.61 -4.23 -1.26 -5.16 115.64 108.24 1v5n s THR 8 Ca 0.00 -1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1v5n s THR 8 Cb 0.00 -0.91 -0.03 0.00 1.34 0.00 0.00 72.50 72.90 1v5n s THR 8 CO 0.00 -0.70 0.61 -0.70 -0.54 0.00 0.00 174.62 173.28 1v5n s GLU 9 N -2.61 3.51 -0.08 3.99 2.56 -1.26 -5.06 118.70 119.75 1v5n s GLU 9 Ca -0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 54.97 54.66 1v5n s GLU 9 Cb -0.02 -2.59 -0.03 0.00 2.00 0.00 0.00 34.13 33.49 1v5n s GLU 9 CO -0.04 0.07 -0.15 0.39 -0.56 0.00 0.00 175.26 174.96 1v5n n GLU 10 N -1.85 0.25 -3.88 4.30 1.02 -1.26 -4.91 120.64 114.29 1v5n n GLU 10 Ca -0.03 0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 56.95 1v5n n GLU 10 Cb 0.56 -0.99 -0.15 0.00 -0.02 0.00 0.00 31.44 30.84 1v5n n GLU 10 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1v5n s ARG 11 N -1.86 1.28 -0.90 3.49 1.70 -1.26 -5.06 118.95 116.34 1v5n s ARG 11 Ca -0.13 -1.73 -0.33 0.00 -0.47 0.00 0.00 55.73 53.07 1v5n s ARG 11 Cb 0.02 -2.73 -0.21 0.00 -0.57 0.00 0.00 34.95 31.46 1v5n s ARG 11 CO 0.19 -1.00 2.60 1.28 -1.08 0.00 0.00 175.30 177.29 1v5n n LEU 12 N 4.21 0.47 -0.02 -1.89 7.99 -1.26 -4.77 117.00 121.73 1v5n n LEU 12 Ca 0.03 0.22 -0.02 0.00 -0.01 0.00 0.00 56.01 56.23 1v5n n LEU 12 Cb 0.40 -0.95 -0.01 0.00 -0.11 0.00 0.00 43.42 42.75 1v5n n LEU 12 CO 0.20 -0.77 -0.11 0.29 -1.51 0.00 0.00 177.39 175.49 1v5n n LYS 13 N 8.38 0.11 0.06 3.23 5.02 -1.26 -4.40 118.16 129.30 1v5n n LYS 13 Ca 0.63 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.97 1v5n n LYS 13 Cb 0.05 -0.83 -0.09 0.00 -0.02 0.00 0.00 35.03 34.14 1v5n n LYS 13 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1v5n h GLU 14 N -0.22 -0.15 -0.77 1.97 4.81 -2.02 -3.18 114.58 115.02 1v5n h GLU 14 Ca 0.00 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.43 1v5n h GLU 14 Cb 0.17 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.44 1v5n h GLU 14 CO 0.00 0.19 -0.08 -0.89 -0.73 0.00 0.00 179.01 177.50 1v5n n ILE 15 N -5.00 -0.32 -0.10 2.32 2.08 -1.26 0.16 119.36 117.24 1v5n n ILE 15 Ca -0.09 1.73 -0.06 0.00 0.56 0.00 0.00 62.75 64.89 1v5n n ILE 15 Cb 0.22 -2.46 0.01 0.00 -0.75 0.00 0.00 39.64 36.66 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 0.13 -0.99 0.38 5.08 -1.75 -1.58 114.58 115.84 1v5n h GLU 16 Ca 0.42 -0.01 0.22 0.00 -1.00 0.00 0.00 59.36 59.00 1v5n h GLU 16 Cb 0.78 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.89 1v5n h GLU 16 CO -0.76 0.08 0.58 0.00 -1.00 0.00 0.00 179.01 177.92 1v5n h ALA 17 N 1.28 1.70 -0.37 3.43 0.00 0.14 -0.26 119.26 125.17 1v5n h ALA 17 Ca 0.16 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1v5n h ALA 17 Cb 0.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1v5n h ALA 17 CO -0.25 -0.19 0.03 0.87 0.00 0.00 0.00 179.25 179.71 1v5n h LYS 18 N 0.63 0.13 -0.45 0.00 1.57 -0.99 -2.17 116.57 115.29 1v5n h LYS 18 Ca 0.61 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.46 1v5n h LYS 18 Cb 1.08 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.29 1v5n h LYS 18 CO -0.44 0.09 0.05 1.88 -0.57 0.00 0.00 179.45 180.45 1v5n h TYR 19 N 0.14 0.07 -1.04 -1.35 0.05 -1.00 -0.66 116.97 113.17 1v5n h TYR 19 Ca 0.18 0.03 0.28 0.00 0.05 0.00 0.00 58.73 59.27 1v5n h TYR 19 Cb 0.24 0.04 -0.11 0.00 1.01 0.00 0.00 36.73 37.91 1v5n h TYR 19 CO -0.23 -0.04 0.64 -0.44 -1.05 0.00 0.00 178.16 177.04 1v5n h ASP 20 N 0.17 0.53 -0.22 3.88 5.19 -1.22 0.57 116.42 125.32 1v5n h ASP 20 Ca 0.22 0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.68 1v5n h ASP 20 Cb 0.31 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 1v5n h ASP 20 CO -0.33 0.05 -0.11 -0.08 -3.12 0.00 0.00 179.24 175.66 1v5n h GLU 21 N 0.44 0.60 -0.12 3.56 4.81 -0.99 -1.50 114.58 121.38 1v5n h GLU 21 Ca 0.65 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.59 1v5n h GLU 21 Cb 1.49 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 1v5n h GLU 21 CO -0.41 0.70 -0.42 0.82 -0.73 0.00 0.00 179.01 178.97 1v5n h ILE 22 N 0.55 1.31 -0.69 2.32 2.04 0.27 -2.99 117.51 120.32 1v5n h ILE 22 Ca 0.10 -1.55 -0.41 0.00 1.00 0.00 0.00 64.86 64.01 1v5n h ILE 22 Cb 0.51 1.68 -0.23 0.00 -0.74 0.00 0.00 36.82 38.04 1v5n h ILE 22 CO 0.03 0.46 0.20 0.00 0.00 0.00 0.00 178.15 178.85 1v5n n ALA 23 N -2.48 5.13 -0.23 1.87 0.00 -0.75 -4.67 120.51 119.39 1v5n n ALA 23 Ca -0.02 -3.22 -0.06 0.00 0.00 0.00 0.00 53.44 50.14 1v5n n ALA 23 Cb 0.49 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.91 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 1.31 0.86 0.00 0.00 1.57 -1.13 -3.01 116.57 116.18 1v5n h LYS 24 Ca 0.42 -0.07 -0.27 0.00 -1.87 0.00 0.00 60.65 58.86 1v5n h LYS 24 Cb 1.83 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.91 1v5n h LYS 24 CO 0.84 0.61 -1.64 -0.44 -0.57 0.00 0.00 179.45 178.25 1v5n h ASP 25 N 0.87 0.00 -1.83 0.86 5.19 -1.85 -3.47 116.42 116.19 1v5n h ASP 25 Ca 0.23 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.98 1v5n h ASP 25 Cb -0.05 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.50 1v5n h ASP 25 CO -0.05 0.95 0.82 0.79 -3.12 0.00 0.00 179.24 178.63 1v5n n TRP 26 N -3.04 2.02 -2.26 4.55 7.02 -1.14 -4.91 117.44 119.68 1v5n n TRP 26 Ca -0.15 0.38 -0.37 0.00 -1.02 0.00 0.00 57.50 56.33 1v5n n TRP 26 Cb 1.02 -2.49 -0.01 0.00 -2.42 0.00 0.00 31.31 27.41 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 2.42 3.84 0.32 -0.99 0.04 -1.26 -4.94 135.00 134.42 1v5n s PRO 27 Ca 0.90 1.80 0.02 0.00 0.04 0.00 0.00 61.00 63.76 1v5n s PRO 27 Cb -0.88 -2.48 0.58 0.00 0.04 0.00 0.00 34.50 31.76 1v5n s PRO 27 CO 0.52 -0.49 1.92 0.87 0.04 0.00 0.00 177.00 179.86 1v5n h LYS 28 N 2.21 0.93 -5.15 4.56 1.79 -1.95 -3.42 116.57 115.54 1v5n h LYS 28 Ca -0.49 -0.06 -0.47 0.00 -2.18 0.00 0.00 60.65 57.46 1v5n h LYS 28 Cb 1.24 -0.21 -0.29 0.00 -1.58 0.00 0.00 32.23 31.39 1v5n h LYS 28 CO 0.61 0.62 -0.81 0.15 -1.08 0.00 0.00 179.45 178.94 1v5n s LYS 29 N -5.85 1.07 0.20 3.15 1.02 -1.26 -0.50 119.74 117.58 1v5n s LYS 29 Ca -0.11 -0.46 0.11 0.00 0.02 0.00 0.00 55.97 55.53 1v5n s LYS 29 Cb 0.20 -1.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 1v5n s LYS 29 CO 0.79 0.27 -0.20 0.54 -0.92 0.00 0.00 175.35 175.83 1v5n s VAL 30 N -0.27 2.55 -0.94 3.17 0.11 -0.66 -4.94 120.40 119.41 1v5n s VAL 30 Ca 0.04 -2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 57.07 1v5n s VAL 30 Cb -0.05 -2.24 0.25 0.00 -1.53 0.00 0.00 36.38 32.81 1v5n s VAL 30 CO -0.00 -0.15 0.99 1.17 -3.33 0.00 0.00 175.10 173.77 1v5n n LYS 31 N 0.10 3.17 -1.04 1.54 3.00 -1.26 -1.07 118.16 122.61 1v5n n LYS 31 Ca -0.11 -4.52 -0.32 0.00 -0.00 0.00 0.00 58.31 53.35 1v5n n LYS 31 Cb 0.56 -2.43 0.13 0.00 0.00 0.00 0.00 35.03 33.29 1v5n n LYS 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1v5n s HIS 32 N -1.85 1.88 -0.10 5.64 5.65 -1.26 -4.88 115.29 120.37 1v5n s HIS 32 Ca 0.31 1.70 -0.24 0.00 0.25 0.00 0.00 55.06 57.07 1v5n s HIS 32 Cb -0.02 -3.37 -0.28 0.00 -1.18 0.00 0.00 32.58 27.74 1v5n s HIS 32 CO -0.05 -2.64 0.76 -0.24 -0.65 0.00 0.00 174.74 171.92 1v5n h VAL 33 N -1.19 1.55 0.00 0.89 3.04 -1.95 -0.89 116.25 117.70 1v5n h VAL 33 Ca -0.45 -2.42 -0.01 0.00 -1.01 0.00 0.00 66.70 62.81 1v5n h VAL 33 Cb 1.28 3.18 -0.00 0.00 -2.01 0.00 0.00 31.29 33.73 1v5n h VAL 33 CO 0.46 0.64 -0.06 -0.07 -1.01 0.00 0.00 177.57 177.53 1v5n h LEU 34 N -0.68 0.00 -2.99 3.16 3.38 -2.00 -2.08 115.31 114.10 1v5n h LEU 34 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1v5n h LEU 34 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1v5n h LEU 34 CO 0.05 0.06 -0.29 1.57 0.09 0.00 0.00 178.44 179.92 1v5n n HIS 35 N -3.61 0.00 -0.54 1.13 -0.00 -1.24 -4.80 115.22 106.15 1v5n n HIS 35 Ca -0.02 -1.27 0.43 0.00 0.46 0.00 0.00 57.72 57.32 1v5n n HIS 35 Cb 0.16 -0.20 0.68 0.00 -0.12 0.00 0.00 29.99 30.51 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 -1.23 -0.01 -0.36 1.57 0.28 -0.34 -0.51 120.64 120.03 1v5n n GLU 36 Ca 0.17 1.04 0.01 0.00 -0.16 0.00 0.00 57.16 58.23 1v5n n GLU 36 Cb 0.67 -2.23 0.07 0.00 1.43 0.00 0.00 31.44 31.39 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 -4.06 -0.17 -4.04 3.44 -0.58 -1.26 -4.62 120.64 109.35 1v5n n GLU 37 Ca 0.38 1.47 -0.08 0.00 -0.42 0.00 0.00 57.16 58.51 1v5n n GLU 37 Cb 1.63 -2.18 -0.09 0.00 -0.57 0.00 0.00 31.44 30.23 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 -6.01 0.46 -0.43 -0.32 3.76 0.33 -5.12 115.29 107.96 1v5n s HIS 38 Ca -0.13 -0.97 -0.23 0.00 -0.15 0.00 0.00 55.06 53.58 1v5n s HIS 38 Cb 0.22 -0.32 0.02 0.00 1.11 0.00 0.00 32.58 33.61 1v5n s HIS 38 CO 0.70 -0.43 0.76 -1.21 -0.85 0.00 0.00 174.74 173.71 1v5n s GLU 39 N -3.92 3.46 0.88 1.40 2.02 -1.26 -4.59 118.70 116.69 1v5n s GLU 39 Ca 0.08 -0.07 -0.14 0.00 0.02 0.00 0.00 54.97 54.86 1v5n s GLU 39 Cb 0.07 -3.91 -0.01 0.00 0.10 0.00 0.00 34.13 30.38 1v5n s GLU 39 CO -0.09 -1.04 0.32 1.28 0.02 0.00 0.00 175.26 175.75 1v5n n LEU 40 N 6.57 -0.50 -4.16 1.80 7.99 -0.23 -4.55 117.00 123.92 1v5n n LEU 40 Ca 0.02 0.40 -0.34 0.00 -0.01 0.00 0.00 56.01 56.08 1v5n n LEU 40 Cb 0.48 -1.16 -0.15 0.00 -0.11 0.00 0.00 43.42 42.48 1v5n n LEU 40 CO 0.57 -3.72 -0.43 -0.70 -1.51 0.00 0.00 177.39 171.60 1v5n s GLU 41 N -3.19 2.67 -0.79 3.23 2.12 0.19 -1.65 118.70 121.27 1v5n s GLU 41 Ca 0.58 -1.08 -0.28 0.00 0.36 0.00 0.00 54.97 54.54 1v5n s GLU 41 Cb -0.25 -2.94 -0.16 0.00 0.26 0.00 0.00 34.13 31.04 1v5n s GLU 41 CO 0.66 -0.44 2.57 -0.11 -0.54 0.00 0.00 175.26 177.40 1v5n n LEU 42 N 4.60 1.08 -4.64 2.70 7.94 0.35 -0.63 117.00 128.39 1v5n n LEU 42 Ca -0.16 -0.14 -0.35 0.00 -1.11 0.00 0.00 56.01 54.25 1v5n n LEU 42 Cb 0.46 -1.19 -0.10 0.00 0.53 0.00 0.00 43.42 43.12 1v5n n LEU 42 CO 0.25 -1.11 -0.32 -0.89 -1.11 0.00 0.00 177.39 174.21 1v5n s THR 43 N 10.19 4.23 -0.34 1.96 2.01 -0.16 -4.86 115.64 128.66 1v5n s THR 43 Ca 1.20 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 1v5n s THR 43 Cb -0.80 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1v5n s THR 43 CO 0.39 0.58 1.69 -0.13 -0.69 0.00 0.00 174.62 176.46 1v5n s ARG 44 N -0.59 3.43 -0.03 4.92 1.81 -1.26 -2.20 118.95 125.03 1v5n s ARG 44 Ca 0.10 1.32 0.04 0.00 -1.72 0.00 0.00 55.73 55.46 1v5n s ARG 44 Cb -0.12 -4.14 -0.00 0.00 -0.45 0.00 0.00 34.95 30.24 1v5n s ARG 44 CO 0.02 -1.74 -0.15 0.08 -0.68 0.00 0.00 175.30 172.83 1v5n s VAL 45 N 6.39 1.26 0.02 3.52 1.01 -1.26 -4.92 120.40 126.43 1v5n s VAL 45 Ca 0.75 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 1v5n s VAL 45 Cb -0.20 -1.08 -0.16 0.00 0.00 0.00 0.00 36.38 34.93 1v5n s VAL 45 CO 0.33 0.37 1.32 -0.61 0.00 0.00 0.00 175.10 176.51 1v5n h GLN 46 N 6.16 0.24 -2.74 2.72 4.15 -1.93 0.54 115.11 124.25 1v5n h GLN 46 Ca -0.34 -0.13 -0.11 0.00 0.77 0.00 0.00 58.65 58.85 1v5n h GLN 46 Cb 1.17 0.00 -0.22 0.00 0.21 0.00 0.00 27.48 28.65 1v5n h GLN 46 CO 0.48 0.66 -0.18 0.08 -1.93 0.00 0.00 178.83 177.94 1v5n s VAL 47 N -4.29 0.02 0.18 2.39 1.01 -1.26 -3.76 120.40 114.70 1v5n s VAL 47 Ca -0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1v5n s VAL 47 Cb 0.04 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1v5n s VAL 47 CO 0.73 -0.10 0.43 0.00 0.00 0.00 0.00 175.10 176.15 1v5n n TYR 48 N 1.96 -1.58 -3.87 5.22 4.11 -1.25 -5.00 117.16 116.76 1v5n n TYR 48 Ca -0.17 -0.90 -0.30 0.00 -0.00 0.00 0.00 57.90 56.53 1v5n n TYR 48 Cb 0.57 0.45 -0.16 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 1.24 0.13 -3.48 2.01 -1.26 -3.66 115.64 108.12 1v5n s THR 49 Ca 0.09 -1.14 -0.31 0.00 0.31 0.00 0.00 61.69 60.63 1v5n s THR 49 Cb -0.02 -1.64 -0.08 0.00 0.01 0.00 0.00 72.50 70.76 1v5n s THR 49 CO 0.06 -0.23 1.43 0.00 -0.69 0.00 0.00 174.62 175.19 1v5n n ASP 51 N 3.92 4.49 0.00 0.00 -0.08 -1.26 -2.62 116.55 121.00 1v5n n ASP 51 Ca 0.12 -3.34 0.00 0.00 -1.51 0.00 0.00 54.79 50.06 1v5n n ASP 51 Cb 0.41 -0.83 0.00 0.00 2.34 0.00 0.00 41.12 43.04 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 -0.72 0.00 -0.01 -0.67 4.81 -1.26 -4.84 118.16 115.46 1v5n n LYS 52 Ca 0.49 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.95 1v5n n LYS 52 Cb 1.24 -0.44 0.02 0.00 0.02 0.00 0.00 35.03 35.88 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 0.17 -5.78 -4.38 0.00 -0.58 -1.08 -4.64 120.64 104.35 1v5n n GLU 54 Ca 0.03 0.71 -0.19 0.00 -0.42 0.00 0.00 57.16 57.29 1v5n n GLU 54 Cb 0.14 -5.34 -0.10 0.00 -0.57 0.00 0.00 31.44 25.57 1v5n n GLU 54 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1v5n s GLU 55 N -5.32 1.46 -0.23 3.49 0.41 -1.23 -4.93 118.70 112.36 1v5n s GLU 55 Ca 0.09 -1.75 -0.04 0.00 -0.41 0.00 0.00 54.97 52.86 1v5n s GLU 55 Cb -0.04 -0.85 -0.01 0.00 -1.78 0.00 0.00 34.13 31.46 1v5n s GLU 55 CO 0.61 -0.06 -0.04 -2.00 -0.49 0.00 0.00 175.26 173.28 1v5n s GLU 56 N -3.82 3.34 0.65 1.61 2.12 -1.26 0.72 118.70 122.07 1v5n s GLU 56 Ca 0.30 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.94 1v5n s GLU 56 Cb 0.05 -3.03 0.14 0.00 0.26 0.00 0.00 34.13 31.55 1v5n s GLU 56 CO 0.11 -0.22 0.89 0.41 -0.54 0.00 0.00 175.26 175.91 1v5n n GLY 57 N 4.80 0.10 3.50 -1.50 0.00 -1.24 -4.90 105.19 105.94 1v5n n GLY 57 Ca -0.18 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 1v5n n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5n s THR 58 N -2.73 0.01 -1.07 2.61 -4.23 -1.26 -3.76 115.64 105.21 1v5n s THR 58 Ca 0.56 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1v5n s THR 58 Cb -0.03 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.93 1v5n s THR 58 CO 0.38 -0.03 0.00 -0.38 -0.54 0.00 0.00 174.62 174.05 1v5n n ILE 59 N 2.02 -0.27 0.00 2.99 2.08 0.19 -4.83 119.36 121.54 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 -1.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.12 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 -2.52 0.00 -3.19 1.39 5.03 -1.10 -4.67 117.44 112.37 1v5n n TRP 60 Ca -0.12 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.45 1v5n n TRP 60 Cb 0.48 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.73 1v5n n TRP 60 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1v5n s SER 61 N 0.00 -0.18 -0.56 -0.99 0.15 -0.93 -4.69 113.70 106.50 1v5n s SER 61 Ca 0.00 0.19 -0.26 0.00 0.70 0.00 0.00 55.95 56.57 1v5n s SER 61 Cb 0.00 1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 65.44 1v5n s SER 61 CO 0.00 -0.03 2.12 -0.31 1.20 0.00 0.00 173.24 176.22 1v5n s TYR 62 N 2.45 1.39 0.01 3.44 2.02 -0.76 -0.99 117.35 124.91 1v5n s TYR 62 Ca -0.03 1.16 -0.01 0.00 -0.37 0.00 0.00 57.07 57.83 1v5n s TYR 62 Cb -0.05 -3.85 -0.04 0.00 -0.40 0.00 0.00 41.96 37.63 1v5n s TYR 62 CO -0.13 -2.39 0.11 -1.58 -1.57 0.00 0.00 175.55 169.99 1v5n s HIS 63 N 10.61 3.35 -0.21 2.71 5.65 0.20 -2.30 115.29 135.30 1v5n s HIS 63 Ca 0.81 0.23 0.01 0.00 0.25 0.00 0.00 55.06 56.36 1v5n s HIS 63 Cb -0.14 -1.75 0.03 0.00 -1.18 0.00 0.00 32.58 29.54 1v5n s HIS 63 CO 0.23 0.57 -0.14 0.00 -0.65 0.00 0.00 174.74 174.74 1v5n n ASP 65 N 4.59 3.63 0.00 0.00 2.03 -1.26 -0.13 116.55 125.41 1v5n n ASP 65 Ca -0.18 -1.96 0.00 0.00 0.52 0.00 0.00 54.79 53.16 1v5n n ASP 65 Cb 0.48 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 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 1.14 0.40 0.00 -0.67 2.13 -1.26 -4.89 120.64 117.48 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 0.42 -0.62 0.00 0.00 0.27 0.00 0.00 31.44 31.51 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 -0.22 -2.62 -4.68 0.00 2.03 0.82 -5.00 116.55 106.89 1v5n n ASP 68 Ca 0.00 -0.47 -0.37 0.00 0.52 0.00 0.00 54.79 54.47 1v5n n ASP 68 Cb 0.07 -4.10 -0.09 0.00 -0.72 0.00 0.00 41.12 36.28 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 -3.28 3.35 0.01 -0.67 5.36 -1.25 -4.83 117.98 116.68 1v5n s PHE 69 Ca 0.08 0.39 0.04 0.00 -0.96 0.00 0.00 56.93 56.47 1v5n s PHE 69 Cb -0.04 -2.34 -0.03 0.00 -0.34 0.00 0.00 43.02 40.27 1v5n s PHE 69 CO 0.57 0.08 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.83 1v5n s ASP 70 N 0.94 4.61 0.34 6.13 1.11 -1.24 -2.26 116.67 126.30 1v5n s ASP 70 Ca 0.12 -0.17 -0.07 0.00 0.18 0.00 0.00 52.55 52.61 1v5n s ASP 70 Cb -0.14 -1.06 0.01 0.00 1.07 0.00 0.00 42.92 42.81 1v5n s ASP 70 CO 0.05 0.27 0.54 -0.76 1.18 0.00 0.00 175.17 176.45 1v5n s LEU 71 N -1.51 0.71 0.29 1.23 1.43 -0.97 -4.03 118.68 115.83 1v5n s LEU 71 Ca 0.18 -1.34 -0.02 0.00 -1.03 0.00 0.00 54.13 51.91 1v5n s LEU 71 Cb -0.11 1.79 -0.04 0.00 0.03 0.00 0.00 46.19 47.86 1v5n s LEU 71 CO 0.08 -1.36 0.52 -1.00 0.23 0.00 0.00 176.35 174.82 1v5n s HIS 72 N -3.03 3.49 0.21 0.29 3.76 -1.26 -1.83 115.29 116.91 1v5n s HIS 72 Ca 0.26 0.48 -0.09 0.00 -0.15 0.00 0.00 55.06 55.57 1v5n s HIS 72 Cb -0.01 -1.98 0.15 0.00 1.11 0.00 0.00 32.58 31.85 1v5n s HIS 72 CO 0.17 0.20 1.81 0.00 -0.85 0.00 0.00 174.74 176.06 1v5n h ALA 73 N 1.44 1.00 0.12 -1.40 0.00 -1.97 -1.27 119.26 117.18 1v5n h ALA 73 Ca -0.48 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.04 1v5n h ALA 73 Cb 1.20 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 18.71 1v5n h ALA 73 CO 0.65 0.55 -0.99 1.57 0.00 0.00 0.00 179.25 181.03 1v5n h LYS 74 N 1.09 0.46 -0.25 0.00 2.10 -1.97 -2.68 116.57 115.33 1v5n h LYS 74 Ca 0.27 -0.66 0.05 0.00 -2.00 0.00 0.00 60.65 58.31 1v5n h LYS 74 Cb 0.10 0.23 -0.05 0.00 -0.90 0.00 0.00 32.23 31.61 1v5n h LYS 74 CO -0.04 1.29 -0.05 0.00 -2.00 0.00 0.00 179.45 178.65 1v5n h ALA 76 N 1.24 0.54 -0.31 0.00 0.00 -1.34 -3.12 119.26 116.27 1v5n h ALA 76 Ca 0.12 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1v5n h ALA 76 Cb 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1v5n h ALA 76 CO -0.24 0.28 0.13 -0.07 0.00 0.00 0.00 179.25 179.35 1v5n h LEU 77 N 0.53 0.17 -8.66 0.00 3.38 -1.08 -3.39 115.31 106.25 1v5n h LEU 77 Ca 0.12 0.02 -0.66 0.00 0.09 0.00 0.00 57.88 57.46 1v5n h LEU 77 Cb 0.41 -0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.94 1v5n h LEU 77 CO 0.01 0.14 -0.57 0.20 0.09 0.00 0.00 178.44 178.31 1v5n s ASN 78 N -5.37 5.50 -0.06 -0.43 0.01 0.36 -4.96 114.94 109.98 1v5n s ASN 78 Ca -0.13 -0.31 -0.03 0.00 -0.71 0.00 0.00 52.86 51.68 1v5n s ASN 78 Cb 0.11 -2.00 -0.27 0.00 0.41 0.00 0.00 41.25 39.50 1v5n s ASN 78 CO 0.70 -0.11 0.60 1.05 -1.51 0.00 0.00 177.10 177.83 1v5n h GLU 79 N 8.32 0.23 -6.13 -0.60 9.09 -1.77 -3.42 114.58 120.30 1v5n h GLU 79 Ca -0.35 -0.40 -0.69 0.00 0.05 0.00 0.00 59.36 57.98 1v5n h GLU 79 Cb 1.16 0.15 -0.27 0.00 -1.65 0.00 0.00 28.75 28.14 1v5n h GLU 79 CO 0.59 1.07 -0.82 0.16 0.05 0.00 0.00 179.01 180.06 1v5n s ASP 80 N -6.89 3.60 0.13 3.06 -4.77 -1.26 -5.02 116.67 105.53 1v5n s ASP 80 Ca -0.15 -0.35 0.02 0.00 -3.30 0.00 0.00 52.55 48.78 1v5n s ASP 80 Cb 0.07 -0.88 -0.04 0.00 -1.09 0.00 0.00 42.92 40.97 1v5n s ASP 80 CO 0.81 0.29 -0.04 0.42 0.70 0.00 0.00 175.17 177.35 1v5n s THR 81 N -0.38 0.74 0.29 2.11 -4.23 -1.26 -5.04 115.64 107.87 1v5n s THR 81 Ca 0.03 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 1v5n s THR 81 Cb -0.12 -1.88 0.29 0.00 1.34 0.00 0.00 72.50 72.13 1v5n s THR 81 CO 0.02 -0.70 1.74 0.50 -0.54 0.00 0.00 174.62 175.64 1v5n h LYS 82 N 2.84 0.56 -1.94 3.99 3.64 -2.03 -3.42 116.57 120.20 1v5n h LYS 82 Ca -0.36 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1v5n h LYS 82 Cb 1.18 -0.13 -0.21 0.00 -0.41 0.00 0.00 32.23 32.67 1v5n h LYS 82 CO 0.64 0.37 0.19 -2.00 -2.27 0.00 0.00 179.45 176.38 1v5n s GLU 83 N -5.87 0.84 1.10 1.90 2.12 -1.26 -5.17 118.70 112.35 1v5n s GLU 83 Ca -0.11 0.78 -0.16 0.00 0.36 0.00 0.00 54.97 55.83 1v5n s GLU 83 Cb 0.25 0.40 0.24 0.00 0.26 0.00 0.00 34.13 35.28 1v5n s GLU 83 CO 0.79 -0.14 1.10 0.45 -0.54 0.00 0.00 175.26 176.92 1v5n s SER 84 N 0.00 1.75 0.00 -1.70 0.15 -1.26 -4.97 113.70 107.68 1v5n s SER 84 Ca -0.02 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1v5n s SER 84 Cb -0.04 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 1v5n s SER 84 CO 0.02 -3.64 0.00 0.61 1.20 0.00 0.00 173.24 171.43 1v5n n GLY 85 N -1.07 1.86 0.07 9.45 0.00 -1.26 -4.85 105.19 109.40 1v5n n GLY 85 Ca 0.09 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 1v5n n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v5n h PRO 86 N 0.00 -0.05 -6.03 1.61 0.13 -1.93 -3.46 132.00 122.27 1v5n h PRO 86 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 1v5n h PRO 86 Cb 0.00 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 30.91 1v5n h PRO 86 CO 0.00 0.41 -0.63 0.45 -0.23 0.00 0.00 178.00 178.00 1v5n n SER 87 N -4.89 -0.77 0.29 1.44 2.88 -1.26 -4.77 113.62 106.53 1v5n n SER 87 Ca -0.08 -0.86 -0.16 0.00 -1.33 0.00 0.00 58.87 56.43 1v5n n SER 87 Cb 0.25 -1.10 -0.08 0.00 -0.75 0.00 0.00 64.21 62.53 1v5n n SER 87 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1v5n h SER 88 N -0.68 -0.58 0.00 -3.46 0.87 -2.02 -3.55 113.55 104.13 1v5n h SER 88 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1v5n h SER 88 Cb 0.96 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1v5n h SER 88 CO 0.58 -0.39 0.00 0.61 -0.53 0.00 0.00 176.83 177.11