#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 -0.63 0.16 1.61 0.15 -1.26 -5.18 113.70 108.55 1v5n s SER 2 Ca 0.00 0.72 -0.07 0.00 0.70 0.00 0.00 55.95 57.30 1v5n s SER 2 Cb 0.00 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1v5n s SER 2 CO 0.00 -0.55 0.24 -0.55 1.20 0.00 0.00 173.24 173.58 1v5n s SER 3 N -1.07 0.10 0.09 5.45 0.15 -1.26 -5.08 113.70 112.07 1v5n s SER 3 Ca -0.09 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1v5n s SER 3 Cb -0.00 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1v5n s SER 3 CO 0.08 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1v5n n GLY 4 N -0.19 -0.47 4.22 9.45 0.00 -1.26 -5.02 105.19 111.91 1v5n n GLY 4 Ca -0.07 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1v5n n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v5n n SER 5 N -2.73 -1.34 -4.57 1.61 3.41 -1.26 -4.86 113.62 103.89 1v5n n SER 5 Ca 0.00 -1.12 -0.28 0.00 -0.26 0.00 0.00 58.87 57.20 1v5n n SER 5 Cb 0.00 -1.43 0.22 0.00 -0.26 0.00 0.00 64.21 62.74 1v5n n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1v5n s SER 6 N -3.16 1.64 -0.22 4.04 1.04 -1.26 -5.05 113.70 110.72 1v5n s SER 6 Ca 0.66 1.30 -0.04 0.00 0.48 0.00 0.00 55.95 58.36 1v5n s SER 6 Cb -0.39 -2.03 0.10 0.00 0.10 0.00 0.00 66.02 63.80 1v5n s SER 6 CO 0.92 -3.76 0.20 -0.83 0.98 0.00 0.00 173.24 170.75 1v5n s GLY 7 N -3.00 0.09 0.23 7.32 0.00 -1.26 -5.14 107.32 105.56 1v5n s GLY 7 Ca 0.67 -0.08 -0.16 0.00 0.00 0.00 0.00 44.72 45.15 1v5n s GLY 7 CO 0.61 2.16 0.66 -0.51 0.00 0.00 0.00 173.10 176.02 1v5n s THR 8 N 2.28 4.71 -0.27 0.90 -4.23 -1.26 -5.04 115.64 112.73 1v5n s THR 8 Ca 0.07 0.99 -0.23 0.00 -1.18 0.00 0.00 61.69 61.33 1v5n s THR 8 Cb -0.16 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 1v5n s THR 8 CO -0.18 0.08 0.75 -1.83 -0.54 0.00 0.00 174.62 172.91 1v5n s GLU 9 N -2.32 4.09 -0.01 3.99 -1.05 -1.26 -4.88 118.70 117.26 1v5n s GLU 9 Ca 0.45 0.70 -0.00 0.00 -0.15 0.00 0.00 54.97 55.97 1v5n s GLU 9 Cb -0.14 -3.67 -0.00 0.00 -0.44 0.00 0.00 34.13 29.87 1v5n s GLU 9 CO 0.20 -0.54 -0.01 -0.85 0.95 0.00 0.00 175.26 175.01 1v5n n GLU 10 N 5.98 0.01 -4.05 -4.83 0.00 -1.26 -5.00 120.64 111.49 1v5n n GLU 10 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.88 1v5n n GLU 10 Cb 0.48 -0.71 -0.15 0.00 0.00 0.00 0.00 31.44 31.06 1v5n n GLU 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1v5n s ARG 11 N -2.01 2.26 -0.40 3.44 0.52 -1.26 -5.08 118.95 116.41 1v5n s ARG 11 Ca -0.01 -1.10 -0.06 0.00 -0.52 0.00 0.00 55.73 54.04 1v5n s ARG 11 Cb 0.00 -2.69 0.09 0.00 0.52 0.00 0.00 34.95 32.87 1v5n s ARG 11 CO 0.01 -0.48 0.21 -0.51 0.02 0.00 0.00 175.30 174.55 1v5n s LEU 12 N 1.23 5.03 -0.19 2.53 1.43 -1.26 -4.94 118.68 122.51 1v5n s LEU 12 Ca -0.04 -1.66 -0.23 0.00 -1.03 0.00 0.00 54.13 51.16 1v5n s LEU 12 Cb -0.18 -1.89 -0.20 0.00 0.03 0.00 0.00 46.19 43.94 1v5n s LEU 12 CO -0.07 -0.51 0.36 0.50 0.23 0.00 0.00 176.35 176.86 1v5n h LYS 13 N 8.23 0.00 0.18 1.70 1.63 -2.01 -3.35 116.57 122.94 1v5n h LYS 13 Ca -0.19 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 1v5n h LYS 13 Cb 1.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1v5n h LYS 13 CO 0.71 0.97 -0.09 1.49 -3.45 0.00 0.00 179.45 179.08 1v5n h GLU 14 N -1.00 -0.23 -0.80 1.90 4.57 -2.02 -3.30 114.58 113.70 1v5n h GLU 14 Ca -0.24 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.03 1v5n h GLU 14 Cb 1.19 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.73 1v5n h GLU 14 CO -0.14 0.14 -0.47 -0.89 -1.18 0.00 0.00 179.01 176.47 1v5n n ILE 15 N -5.01 -0.54 -0.33 2.32 2.08 -1.26 0.10 119.36 116.72 1v5n n ILE 15 Ca -0.09 2.00 0.21 0.00 0.56 0.00 0.00 62.75 65.43 1v5n n ILE 15 Cb 0.25 -2.48 0.40 0.00 -0.75 0.00 0.00 39.64 37.06 1v5n n ILE 15 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1v5n n GLU 16 N -4.93 -0.07 -0.27 0.38 1.02 -1.24 0.13 120.64 115.66 1v5n n GLU 16 Ca 0.02 1.42 0.05 0.00 -0.02 0.00 0.00 57.16 58.63 1v5n n GLU 16 Cb 0.21 -2.37 0.19 0.00 -0.02 0.00 0.00 31.44 29.45 1v5n n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1v5n h ALA 17 N 1.96 1.12 0.00 0.62 0.00 0.59 -2.13 119.26 121.42 1v5n h ALA 17 Ca 0.68 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.72 1v5n h ALA 17 Cb 1.59 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 1v5n h ALA 17 CO -0.86 -0.15 -0.34 0.87 0.00 0.00 0.00 179.25 178.77 1v5n h LYS 18 N 0.53 -0.48 -0.73 0.00 1.57 0.11 -2.00 116.57 115.57 1v5n h LYS 18 Ca 0.42 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.40 1v5n h LYS 18 Cb 0.60 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 32.89 1v5n h LYS 18 CO -0.37 -0.32 0.00 1.88 -0.57 0.00 0.00 179.45 180.07 1v5n h TYR 19 N -0.50 -0.05 -0.86 -1.35 0.05 -1.35 0.47 116.97 113.37 1v5n h TYR 19 Ca 0.06 0.05 0.17 0.00 0.05 0.00 0.00 58.73 59.07 1v5n h TYR 19 Cb 0.58 0.14 -0.06 0.00 1.01 0.00 0.00 36.73 38.40 1v5n h TYR 19 CO -0.36 -0.23 0.57 -0.44 -1.05 0.00 0.00 178.16 176.65 1v5n h ASP 20 N 0.11 0.47 0.61 3.88 5.19 -1.15 0.45 116.42 125.98 1v5n h ASP 20 Ca 0.40 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.82 1v5n h ASP 20 Cb 0.69 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.14 1v5n h ASP 20 CO -0.64 0.21 -0.11 -0.08 -3.12 0.00 0.00 179.24 175.50 1v5n h GLU 21 N 0.49 0.00 0.00 3.56 4.57 0.24 -1.88 114.58 121.55 1v5n h GLU 21 Ca 0.44 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.39 1v5n h GLU 21 Cb 0.97 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.52 1v5n h GLU 21 CO -0.17 0.11 -1.35 0.82 -1.18 0.00 0.00 179.01 177.23 1v5n h ILE 22 N 0.00 1.02 -0.68 2.32 2.04 0.07 -3.33 117.51 118.95 1v5n h ILE 22 Ca -0.00 -2.73 -0.37 0.00 1.00 0.00 0.00 64.86 62.76 1v5n h ILE 22 Cb 0.44 2.47 -0.22 0.00 -0.74 0.00 0.00 36.82 38.77 1v5n h ILE 22 CO 0.01 0.58 0.28 0.00 0.00 0.00 0.00 178.15 179.02 1v5n n ALA 23 N -2.44 5.03 -0.20 1.87 0.00 -0.75 -4.64 120.51 119.38 1v5n n ALA 23 Ca -0.09 -3.08 -0.07 0.00 0.00 0.00 0.00 53.44 50.20 1v5n n ALA 23 Cb 0.95 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 1.08 0.82 0.01 0.00 1.57 -1.47 -3.10 116.57 115.47 1v5n h LYS 24 Ca 0.43 -0.12 -0.28 0.00 -1.87 0.00 0.00 60.65 58.81 1v5n h LYS 24 Cb 2.16 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 34.28 1v5n h LYS 24 CO 0.78 0.67 -1.61 -0.44 -0.57 0.00 0.00 179.45 178.28 1v5n h ASP 25 N 0.76 0.02 -1.70 0.86 3.32 -1.89 -3.47 116.42 114.32 1v5n h ASP 25 Ca 0.19 -0.03 -0.69 0.00 0.02 0.00 0.00 57.03 56.52 1v5n h ASP 25 Cb 0.13 -0.01 0.04 0.00 0.22 0.00 0.00 39.33 39.72 1v5n h ASP 25 CO -0.02 1.03 0.66 0.79 -1.72 0.00 0.00 179.24 179.97 1v5n n TRP 26 N -3.11 1.79 -1.86 4.55 7.02 -1.17 -4.92 117.44 119.75 1v5n n TRP 26 Ca -0.15 0.54 -0.33 0.00 -1.02 0.00 0.00 57.50 56.54 1v5n n TRP 26 Cb 1.04 -2.41 0.04 0.00 -2.42 0.00 0.00 31.31 27.56 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 1.69 2.91 0.13 -0.99 0.04 -1.26 -4.97 135.00 132.55 1v5n s PRO 27 Ca 0.89 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 1v5n s PRO 27 Cb -0.96 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 31.51 1v5n s PRO 27 CO 0.52 -1.17 1.29 0.87 0.04 0.00 0.00 177.00 178.55 1v5n h LYS 28 N 0.26 0.27 -4.52 4.56 1.79 -1.94 -3.42 116.57 113.58 1v5n h LYS 28 Ca -0.47 -0.34 -0.57 0.00 -2.18 0.00 0.00 60.65 57.08 1v5n h LYS 28 Cb 1.25 0.11 -0.36 0.00 -1.58 0.00 0.00 32.23 31.65 1v5n h LYS 28 CO 0.55 1.07 -0.82 0.15 -1.08 0.00 0.00 179.45 179.32 1v5n s LYS 29 N -3.06 2.02 -0.05 3.15 -0.14 -1.26 -1.99 119.74 118.41 1v5n s LYS 29 Ca -0.04 -0.45 0.03 0.00 -1.36 0.00 0.00 55.97 54.15 1v5n s LYS 29 Cb 0.09 -1.90 -0.03 0.00 -1.68 0.00 0.00 37.83 34.31 1v5n s LYS 29 CO 0.85 -0.23 -0.13 0.54 -0.76 0.00 0.00 175.35 175.62 1v5n s VAL 30 N 1.51 3.17 -0.96 3.17 0.11 -0.44 -4.92 120.40 122.04 1v5n s VAL 30 Ca 0.04 -0.71 -0.14 0.00 -2.93 0.00 0.00 61.98 58.24 1v5n s VAL 30 Cb -0.13 -2.26 0.21 0.00 -1.53 0.00 0.00 36.38 32.67 1v5n s VAL 30 CO -0.09 0.57 1.00 -0.75 -3.33 0.00 0.00 175.10 172.50 1v5n s LYS 31 N -0.80 3.80 0.32 1.54 2.20 -1.26 0.18 119.74 125.72 1v5n s LYS 31 Ca 0.12 -2.51 -0.28 0.00 -0.36 0.00 0.00 55.97 52.94 1v5n s LYS 31 Cb -0.11 -4.63 -0.09 0.00 -1.51 0.00 0.00 37.83 31.49 1v5n s LYS 31 CO 0.01 -1.43 1.11 -1.58 -0.36 0.00 0.00 175.35 173.10 1v5n s HIS 32 N 0.50 3.42 0.12 4.03 2.46 -1.26 -4.87 115.29 119.69 1v5n s HIS 32 Ca 0.27 1.66 -0.19 0.00 0.47 0.00 0.00 55.06 57.26 1v5n s HIS 32 Cb -0.08 -3.29 -0.06 0.00 -0.13 0.00 0.00 32.58 29.02 1v5n s HIS 32 CO -0.08 -0.73 1.73 -0.24 -2.47 0.00 0.00 174.74 172.95 1v5n h VAL 33 N 2.82 1.10 0.00 0.89 3.04 -1.95 1.26 116.25 123.40 1v5n h VAL 33 Ca -0.47 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 1v5n h VAL 33 Cb 1.22 0.84 -0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1v5n h VAL 33 CO 0.65 0.10 -0.07 -0.07 -1.01 0.00 0.00 177.57 177.17 1v5n h LEU 34 N 0.29 0.00 -3.11 3.16 3.38 -1.99 -1.97 115.31 115.06 1v5n h LEU 34 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1v5n h LEU 34 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1v5n h LEU 34 CO -0.02 0.07 -0.11 1.57 0.09 0.00 0.00 178.44 180.04 1v5n n HIS 35 N -4.03 0.38 -0.18 1.13 -0.00 -0.80 -4.83 115.22 106.89 1v5n n HIS 35 Ca -0.03 -1.17 0.03 0.00 0.46 0.00 0.00 57.72 57.02 1v5n n HIS 35 Cb 0.16 -0.26 0.07 0.00 -0.12 0.00 0.00 29.99 29.84 1v5n n HIS 35 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1v5n n GLU 36 N -1.12 -0.05 -0.18 1.57 2.13 0.43 -0.27 120.64 123.15 1v5n n GLU 36 Ca 0.20 0.80 -0.05 0.00 0.66 0.00 0.00 57.16 58.78 1v5n n GLU 36 Cb 0.77 -1.19 -0.04 0.00 0.27 0.00 0.00 31.44 31.25 1v5n n GLU 36 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1v5n n GLU 37 N -4.83 -0.19 -4.20 5.31 4.71 -1.26 -4.47 120.64 115.72 1v5n n GLU 37 Ca 0.08 0.70 -0.14 0.00 -0.01 0.00 0.00 57.16 57.79 1v5n n GLU 37 Cb 0.25 -1.02 -0.11 0.00 -1.01 0.00 0.00 31.44 29.56 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 -4.97 1.11 -0.24 -0.32 3.76 0.63 -5.13 115.29 110.13 1v5n s HIS 38 Ca -0.05 -0.70 -0.21 0.00 -0.15 0.00 0.00 55.06 53.96 1v5n s HIS 38 Cb 0.05 -0.60 -0.02 0.00 1.11 0.00 0.00 32.58 33.12 1v5n s HIS 38 CO 0.26 0.01 0.65 -1.21 -0.85 0.00 0.00 174.74 173.61 1v5n s GLU 39 N -3.09 4.14 1.09 1.40 2.02 -1.26 -4.52 118.70 118.48 1v5n s GLU 39 Ca 0.09 0.61 -0.14 0.00 0.02 0.00 0.00 54.97 55.54 1v5n s GLU 39 Cb -0.01 -3.63 0.17 0.00 0.10 0.00 0.00 34.13 30.76 1v5n s GLU 39 CO -0.00 -0.38 0.63 1.28 0.02 0.00 0.00 175.26 176.81 1v5n n LEU 40 N 5.58 -0.79 -4.07 1.80 7.99 0.13 -4.48 117.00 123.16 1v5n n LEU 40 Ca -0.00 0.02 -0.28 0.00 -0.01 0.00 0.00 56.01 55.74 1v5n n LEU 40 Cb 0.49 -1.19 -0.17 0.00 -0.11 0.00 0.00 43.42 42.44 1v5n n LEU 40 CO 0.44 -3.12 -0.50 -0.70 -1.51 0.00 0.00 177.39 172.00 1v5n s GLU 41 N -4.02 2.18 -0.78 3.23 -6.30 0.15 -1.32 118.70 111.84 1v5n s GLU 41 Ca 0.63 -0.56 -0.23 0.00 -2.50 0.00 0.00 54.97 52.30 1v5n s GLU 41 Cb -0.20 -1.80 -0.17 0.00 0.00 0.00 0.00 34.13 31.96 1v5n s GLU 41 CO 0.65 -0.00 2.40 -0.11 0.02 0.00 0.00 175.26 178.22 1v5n n LEU 42 N 3.99 1.15 -4.78 2.70 7.94 -0.84 -0.41 117.00 126.74 1v5n n LEU 42 Ca -0.20 -0.88 -0.36 0.00 -1.11 0.00 0.00 56.01 53.46 1v5n n LEU 42 Cb 0.52 -1.35 -0.07 0.00 0.53 0.00 0.00 43.42 43.04 1v5n n LEU 42 CO 0.25 -1.94 -0.19 -0.89 -1.11 0.00 0.00 177.39 173.51 1v5n s THR 43 N 10.76 5.33 0.03 1.96 2.01 0.20 -4.89 115.64 131.04 1v5n s THR 43 Ca 1.06 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.91 1v5n s THR 43 Cb -0.40 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 1v5n s THR 43 CO 0.26 0.53 1.40 -0.13 -0.69 0.00 0.00 174.62 176.00 1v5n s ARG 44 N -0.32 4.29 -0.08 4.92 1.81 -1.26 -1.79 118.95 126.52 1v5n s ARG 44 Ca 0.11 2.00 -0.07 0.00 -1.72 0.00 0.00 55.73 56.04 1v5n s ARG 44 Cb -0.12 -3.51 0.03 0.00 -0.45 0.00 0.00 34.95 30.90 1v5n s ARG 44 CO 0.01 -0.55 0.22 0.08 -0.68 0.00 0.00 175.30 174.38 1v5n s VAL 45 N 2.13 -0.01 -0.01 3.52 1.01 -1.26 -4.91 120.40 120.87 1v5n s VAL 45 Ca 0.64 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.42 1v5n s VAL 45 Cb -0.33 -0.32 -0.19 0.00 0.00 0.00 0.00 36.38 35.55 1v5n s VAL 45 CO 0.28 0.01 1.25 -0.61 0.00 0.00 0.00 175.10 176.03 1v5n h GLN 46 N 6.12 0.13 -2.82 2.72 5.75 -1.94 1.08 115.11 126.15 1v5n h GLN 46 Ca -0.29 -0.08 -0.11 0.00 -0.15 0.00 0.00 58.65 58.02 1v5n h GLN 46 Cb 1.19 0.01 -0.21 0.00 1.07 0.00 0.00 27.48 29.53 1v5n h GLN 46 CO 0.38 0.63 -0.21 0.08 -2.65 0.00 0.00 178.83 177.05 1v5n s VAL 47 N -4.10 0.03 0.17 2.39 1.01 -1.26 -3.85 120.40 114.79 1v5n s VAL 47 Ca -0.15 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1v5n s VAL 47 Cb 0.03 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.79 1v5n s VAL 47 CO 0.71 -0.15 0.48 0.00 0.00 0.00 0.00 175.10 176.14 1v5n n TYR 48 N 1.71 -1.43 -3.86 5.22 4.11 -1.25 -5.00 117.16 116.67 1v5n n TYR 48 Ca -0.19 -0.87 -0.30 0.00 -0.00 0.00 0.00 57.90 56.54 1v5n n TYR 48 Cb 0.56 0.43 -0.15 0.00 -0.00 0.00 0.00 39.34 40.18 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 -2.42 1.33 0.19 -3.48 2.01 -1.26 -3.74 115.64 108.27 1v5n s THR 49 Ca 0.10 -1.41 -0.32 0.00 0.31 0.00 0.00 61.69 60.37 1v5n s THR 49 Cb -0.02 -1.83 -0.12 0.00 0.01 0.00 0.00 72.50 70.54 1v5n s THR 49 CO 0.05 -0.40 1.72 0.00 -0.69 0.00 0.00 174.62 175.30 1v5n n ASP 51 N 4.11 3.77 0.02 0.00 2.03 -1.25 -2.48 116.55 122.75 1v5n n ASP 51 Ca 0.16 -3.01 0.00 0.00 0.52 0.00 0.00 54.79 52.47 1v5n n ASP 51 Cb 0.34 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 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 -0.36 0.00 -0.04 -0.67 4.81 -1.26 -4.82 118.16 115.82 1v5n n LYS 52 Ca 0.36 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.86 1v5n n LYS 52 Cb 1.22 -0.50 0.07 0.00 0.02 0.00 0.00 35.03 35.85 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 0.59 -5.34 -2.83 0.00 -0.58 -1.03 -5.03 120.64 106.42 1v5n n GLU 54 Ca 0.08 0.71 -0.10 0.00 -0.42 0.00 0.00 57.16 57.43 1v5n n GLU 54 Cb 0.31 -5.30 -0.02 0.00 -0.57 0.00 0.00 31.44 25.86 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 -3.58 1.25 -3.82 3.49 -0.58 -1.22 -4.90 120.64 111.28 1v5n n GLU 55 Ca -0.23 -1.17 -0.27 0.00 -0.42 0.00 0.00 57.16 55.07 1v5n n GLU 55 Cb 0.64 0.45 -0.17 0.00 -0.57 0.00 0.00 31.44 31.79 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 1.02 0.76 3.49 2.12 -1.26 0.90 118.70 123.17 1v5n s GLU 56 Ca 0.03 -0.31 -0.07 0.00 0.36 0.00 0.00 54.97 54.98 1v5n s GLU 56 Cb 0.00 -1.74 0.16 0.00 0.26 0.00 0.00 34.13 32.82 1v5n s GLU 56 CO 0.02 -0.44 1.03 0.41 -0.54 0.00 0.00 175.26 175.74 1v5n n GLY 57 N 5.00 -0.37 3.57 -1.50 0.00 -1.25 -4.89 105.19 105.74 1v5n n GLY 57 Ca -0.10 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.14 -0.00 -1.48 2.61 -4.23 -1.26 -3.78 115.64 104.35 1v5n s THR 58 Ca 0.63 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1v5n s THR 58 Cb -0.03 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1v5n s THR 58 CO 0.43 0.00 0.00 -0.38 -0.54 0.00 0.00 174.62 174.13 1v5n n ILE 59 N 3.15 -0.37 -3.65 2.99 2.08 0.37 -4.87 119.36 119.06 1v5n n ILE 59 Ca -0.16 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.14 1v5n n ILE 59 Cb 0.56 -1.84 -0.07 0.00 -0.75 0.00 0.00 39.64 37.54 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 -2.54 -0.02 -0.30 1.39 0.23 -1.16 -4.66 118.94 111.88 1v5n s TRP 60 Ca 0.00 0.04 -0.19 0.00 -2.03 0.00 0.00 56.10 53.92 1v5n s TRP 60 Cb 0.00 0.40 0.20 0.00 0.03 0.00 0.00 33.47 34.10 1v5n s TRP 60 CO 0.00 -0.01 1.30 -1.54 0.96 0.00 0.00 176.95 177.66 1v5n s SER 61 N 0.21 -0.05 -0.73 2.95 1.04 -0.74 -4.68 113.70 111.71 1v5n s SER 61 Ca 0.05 0.07 -0.26 0.00 0.48 0.00 0.00 55.95 56.28 1v5n s SER 61 Cb -0.04 1.05 0.01 0.00 0.10 0.00 0.00 66.02 67.14 1v5n s SER 61 CO -0.15 -0.01 1.50 -0.31 0.98 0.00 0.00 173.24 175.24 1v5n s TYR 62 N 1.93 2.09 0.23 5.02 2.02 -0.38 0.61 117.35 128.87 1v5n s TYR 62 Ca -0.00 0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.96 1v5n s TYR 62 Cb -0.01 -4.45 -0.04 0.00 -0.40 0.00 0.00 41.96 37.06 1v5n s TYR 62 CO -0.15 -2.13 0.02 -1.58 -1.57 0.00 0.00 175.55 170.14 1v5n s HIS 63 N 6.87 2.79 -0.23 2.71 5.65 0.45 -1.28 115.29 132.25 1v5n s HIS 63 Ca 0.47 -0.18 0.01 0.00 0.25 0.00 0.00 55.06 55.61 1v5n s HIS 63 Cb -0.09 -1.28 0.04 0.00 -1.18 0.00 0.00 32.58 30.07 1v5n s HIS 63 CO 0.14 0.57 -0.13 0.00 -0.65 0.00 0.00 174.74 174.67 1v5n n ASP 65 N 4.55 0.00 -0.04 0.00 5.75 -1.26 0.13 116.55 125.68 1v5n n ASP 65 Ca -0.17 -0.38 -0.01 0.00 -0.01 0.00 0.00 54.79 54.23 1v5n n ASP 65 Cb 0.46 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.45 1v5n n ASP 65 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1v5n n GLU 66 N -0.88 1.32 -0.78 0.11 2.13 -1.26 -4.65 120.64 116.64 1v5n n GLU 66 Ca 0.06 -0.05 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1v5n n GLU 66 Cb 0.03 -1.31 0.05 0.00 0.27 0.00 0.00 31.44 30.48 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 -0.16 -0.90 -4.91 0.00 5.75 0.36 -4.83 116.55 111.85 1v5n n ASP 68 Ca 0.06 -0.75 -0.21 0.00 -0.01 0.00 0.00 54.79 53.88 1v5n n ASP 68 Cb 0.84 -0.91 0.05 0.00 -1.03 0.00 0.00 41.12 40.07 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1v5n s PHE 69 N -3.98 2.39 -0.28 2.11 5.36 -1.17 -4.83 117.98 117.58 1v5n s PHE 69 Ca 0.14 -0.19 -0.16 0.00 -0.96 0.00 0.00 56.93 55.77 1v5n s PHE 69 Cb -0.08 -2.72 0.10 0.00 -0.34 0.00 0.00 43.02 39.98 1v5n s PHE 69 CO 0.57 -1.07 0.76 -0.51 -1.46 0.00 0.00 175.22 173.51 1v5n s ASP 70 N -4.52 -0.86 0.32 6.13 1.11 -1.22 -2.97 116.67 114.66 1v5n s ASP 70 Ca 0.60 1.35 0.01 0.00 0.18 0.00 0.00 52.55 54.69 1v5n s ASP 70 Cb -0.09 1.41 -0.01 0.00 1.07 0.00 0.00 42.92 45.30 1v5n s ASP 70 CO 0.39 -0.21 0.37 -0.76 1.18 0.00 0.00 175.17 176.14 1v5n s LEU 71 N 1.66 1.29 0.23 1.23 1.43 -0.40 -3.88 118.68 120.24 1v5n s LEU 71 Ca -0.09 -1.57 -0.09 0.00 -1.03 0.00 0.00 54.13 51.35 1v5n s LEU 71 Cb -0.05 1.02 -0.07 0.00 0.03 0.00 0.00 46.19 47.12 1v5n s LEU 71 CO -0.19 -1.16 0.53 -1.00 0.23 0.00 0.00 176.35 174.77 1v5n s HIS 72 N -3.33 3.43 0.48 0.29 3.76 -1.26 -1.25 115.29 117.41 1v5n s HIS 72 Ca 0.35 0.82 0.16 0.00 -0.15 0.00 0.00 55.06 56.24 1v5n s HIS 72 Cb 0.01 -2.22 1.13 0.00 1.11 0.00 0.00 32.58 32.62 1v5n s HIS 72 CO 0.22 0.27 2.06 0.00 -0.85 0.00 0.00 174.74 176.44 1v5n h ALA 73 N 2.47 1.79 0.13 -1.40 0.00 -1.95 -1.70 119.26 118.59 1v5n h ALA 73 Ca -0.47 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.02 1v5n h ALA 73 Cb 1.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1v5n h ALA 73 CO 0.69 0.14 -1.71 1.57 0.00 0.00 0.00 179.25 179.94 1v5n h LYS 74 N 0.00 0.27 -0.23 0.00 2.10 -1.98 -3.22 116.57 113.51 1v5n h LYS 74 Ca -0.00 -0.46 0.04 0.00 -2.00 0.00 0.00 60.65 58.23 1v5n h LYS 74 Cb 0.20 0.17 -0.04 0.00 -0.90 0.00 0.00 32.23 31.66 1v5n h LYS 74 CO 0.01 1.22 -0.02 0.00 -2.00 0.00 0.00 179.45 178.66 1v5n h ALA 76 N 1.21 0.71 0.64 0.00 0.00 -1.49 -3.24 119.26 117.08 1v5n h ALA 76 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1v5n h ALA 76 Cb 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1v5n h ALA 76 CO -0.21 0.24 -0.31 -0.07 0.00 0.00 0.00 179.25 178.90 1v5n h LEU 77 N 0.74 -0.73-10.72 0.00 3.38 -1.45 -3.45 115.31 103.08 1v5n h LEU 77 Ca 0.19 0.03 -0.43 0.00 0.09 0.00 0.00 57.88 57.75 1v5n h LEU 77 Cb 0.06 0.19 0.18 0.00 0.09 0.00 0.00 40.66 41.18 1v5n h LEU 77 CO -0.03 -0.44 0.34 0.20 0.09 0.00 0.00 178.44 178.60 1v5n s ASN 78 N -3.84 2.39 -0.15 -0.43 0.01 0.10 -5.08 114.94 107.95 1v5n s ASN 78 Ca -0.13 0.33 -0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1v5n s ASN 78 Cb 0.01 -0.39 0.05 0.00 0.41 0.00 0.00 41.25 41.33 1v5n s ASN 78 CO 0.38 -3.19 0.06 -0.70 -1.51 0.00 0.00 177.10 172.13 1v5n s GLU 79 N -5.78 0.29 0.00 -0.60 2.12 -1.26 -4.76 118.70 108.71 1v5n s GLU 79 Ca 0.74 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.97 1v5n s GLU 79 Cb -0.05 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.71 1v5n s GLU 79 CO 0.54 -0.57 0.00 -3.47 -0.54 0.00 0.00 175.26 171.22 1v5n n ASP 80 N 5.20 2.77 -4.32 -1.70 2.03 -1.26 -5.02 116.55 114.24 1v5n n ASP 80 Ca -0.07 -0.14 -0.34 0.00 0.52 0.00 0.00 54.79 54.76 1v5n n ASP 80 Cb 0.49 0.83 -0.09 0.00 -0.72 0.00 0.00 41.12 41.63 1v5n n ASP 80 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1v5n n THR 81 N -1.11 -0.61 -1.72 5.18 -2.24 -1.26 -4.83 114.28 107.69 1v5n n THR 81 Ca 0.00 -0.31 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 1v5n n THR 81 Cb 0.00 -0.79 0.06 0.00 -2.10 0.00 0.00 70.33 67.50 1v5n n THR 81 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1v5n n LYS 82 N -4.27 1.31 -1.43 -0.78 3.00 -1.26 -4.96 118.16 109.77 1v5n n LYS 82 Ca -0.16 0.50 -0.33 0.00 -0.00 0.00 0.00 58.31 58.32 1v5n n LYS 82 Cb 0.59 -2.51 0.08 0.00 0.00 0.00 0.00 35.03 33.19 1v5n n LYS 82 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1v5n s GLU 83 N -3.13 2.28 0.18 1.64 -1.05 -1.26 -4.95 118.70 112.41 1v5n s GLU 83 Ca 0.78 1.47 0.00 0.00 -0.15 0.00 0.00 54.97 57.07 1v5n s GLU 83 Cb -0.40 -1.88 -0.04 0.00 -0.44 0.00 0.00 34.13 31.37 1v5n s GLU 83 CO 0.44 -1.67 0.07 -1.54 0.95 0.00 0.00 175.26 173.51 1v5n s SER 84 N -2.60 0.63 0.01 0.83 1.04 -1.26 -4.94 113.70 107.41 1v5n s SER 84 Ca 0.68 -1.27 -0.28 0.00 0.48 0.00 0.00 55.95 55.55 1v5n s SER 84 Cb -0.22 0.25 0.08 0.00 0.10 0.00 0.00 66.02 66.23 1v5n s SER 84 CO 0.47 -0.72 0.70 -0.83 0.98 0.00 0.00 173.24 173.85 1v5n s GLY 85 N -3.15 -0.55 -0.02 7.32 0.00 -1.26 -5.07 107.32 104.59 1v5n s GLY 85 Ca 0.30 1.09 -0.26 0.00 0.00 0.00 0.00 44.72 45.86 1v5n s GLY 85 CO 0.07 0.66 1.25 -0.56 0.00 0.00 0.00 173.10 174.51 1v5n h PRO 86 N 2.55 -0.03 -7.17 2.90 0.13 -2.03 -3.47 132.00 124.89 1v5n h PRO 86 Ca -0.28 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.23 1v5n h PRO 86 Cb 1.21 0.01 -0.34 0.00 0.13 0.00 0.00 31.00 32.00 1v5n h PRO 86 CO 0.37 0.45 -0.92 -1.13 -0.23 0.00 0.00 178.00 176.54 1v5n n SER 87 N -4.87 -1.18 -4.12 1.44 3.41 -1.26 0.11 113.62 107.15 1v5n n SER 87 Ca -0.08 -1.25 -0.32 0.00 -0.26 0.00 0.00 58.87 56.95 1v5n n SER 87 Cb 0.25 -1.63 -0.02 0.00 -0.26 0.00 0.00 64.21 62.55 1v5n n SER 87 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1v5n n SER 88 N -2.57 -2.41 0.00 4.04 2.88 -1.26 -5.36 113.62 108.94 1v5n n SER 88 Ca 0.01 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.55 1v5n n SER 88 Cb 0.51 -2.92 0.00 0.00 -0.75 0.00 0.00 64.21 61.05 1v5n n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42