#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5n h SER 2 N 0.00 -1.74 -2.35 1.61 0.87 -2.15 -3.42 113.55 106.37 1v5n h SER 2 Ca 0.00 0.22 -0.51 0.00 -1.23 0.00 0.00 61.79 60.27 1v5n h SER 2 Cb 0.00 0.70 0.23 0.00 -0.44 0.00 0.00 62.40 62.89 1v5n h SER 2 CO 0.00 -0.43 -1.42 -1.20 -0.53 0.00 0.00 176.83 173.25 1v5n n SER 3 N -5.31 -3.39 0.00 6.23 7.64 -1.26 -4.99 113.62 112.55 1v5n n SER 3 Ca -0.05 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1v5n n SER 3 Cb 0.35 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1v5n n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5n n GLY 4 N 2.51 3.62 3.47 0.23 0.00 -1.26 -5.17 105.19 108.59 1v5n n GLY 4 Ca 0.01 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1v5n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v5n s SER 5 N 0.00 3.60 -0.02 1.61 0.15 -1.26 -5.15 113.70 112.63 1v5n s SER 5 Ca 0.00 -1.00 -0.21 0.00 0.70 0.00 0.00 55.95 55.45 1v5n s SER 5 Cb 0.00 -0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.04 1v5n s SER 5 CO 0.00 0.05 0.45 -0.44 1.20 0.00 0.00 173.24 174.50 1v5n s SER 6 N -3.40 -0.36 0.00 5.45 0.01 -1.26 -5.16 113.70 108.98 1v5n s SER 6 Ca 0.29 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.83 1v5n s SER 6 Cb -0.05 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1v5n s SER 6 CO 0.14 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1v5n n GLY 7 N 1.04 0.55 3.80 3.44 0.00 -1.26 -5.04 105.19 107.71 1v5n n GLY 7 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 2.09 4.29 0.13 2.61 -4.23 -1.26 -5.07 115.64 114.21 1v5n s THR 8 Ca 0.00 1.68 -0.11 0.00 -1.18 0.00 0.00 61.69 62.08 1v5n s THR 8 Cb 0.00 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1v5n s THR 8 CO 0.00 -0.01 0.29 -1.61 -0.54 0.00 0.00 174.62 172.75 1v5n s GLU 9 N -2.42 1.05 0.34 3.99 2.02 -1.26 -5.04 118.70 117.38 1v5n s GLU 9 Ca 0.54 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.56 1v5n s GLU 9 Cb -0.15 0.39 0.65 0.00 0.10 0.00 0.00 34.13 35.12 1v5n s GLU 9 CO 0.20 -0.38 1.96 1.05 0.02 0.00 0.00 175.26 178.12 1v5n h GLU 10 N 2.56 0.84 -5.63 1.61 9.09 -2.07 -3.41 114.58 117.57 1v5n h GLU 10 Ca -0.33 -0.05 -0.58 0.00 0.05 0.00 0.00 59.36 58.46 1v5n h GLU 10 Cb 1.22 -0.19 -0.30 0.00 -1.65 0.00 0.00 28.75 27.83 1v5n h GLU 10 CO 0.50 0.56 -0.84 -0.98 0.05 0.00 0.00 179.01 178.29 1v5n s ARG 11 N -5.75 1.69 -0.08 1.06 1.70 -1.26 -5.13 118.95 111.19 1v5n s ARG 11 Ca -0.10 -0.66 -0.02 0.00 -0.47 0.00 0.00 55.73 54.48 1v5n s ARG 11 Cb 0.19 -1.55 0.03 0.00 -0.57 0.00 0.00 34.95 33.05 1v5n s ARG 11 CO 0.78 0.34 0.01 -0.51 -1.08 0.00 0.00 175.30 174.84 1v5n s LEU 12 N -0.24 0.57 -0.24 -1.89 1.43 -1.26 -5.03 118.68 112.03 1v5n s LEU 12 Ca 0.02 -0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 1v5n s LEU 12 Cb -0.09 -0.42 -0.16 0.00 0.03 0.00 0.00 46.19 45.55 1v5n s LEU 12 CO 0.01 -0.21 -0.02 0.29 0.23 0.00 0.00 176.35 176.65 1v5n n LYS 13 N 5.16 0.57 -0.01 1.70 5.02 -1.26 -4.32 118.16 125.02 1v5n n LYS 13 Ca -0.07 0.45 -0.11 0.00 -2.02 0.00 0.00 58.31 56.56 1v5n n LYS 13 Cb 0.50 -1.65 -0.09 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.00 -0.09 -0.75 1.97 4.57 -2.02 -3.33 114.58 113.93 1v5n h GLU 14 Ca -0.48 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 57.83 1v5n h GLU 14 Cb 1.42 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.90 1v5n h GLU 14 CO -0.29 0.50 -0.25 -0.89 -1.18 0.00 0.00 179.01 176.90 1v5n n ILE 15 N -4.80 -0.36 -0.24 2.32 2.08 -1.26 0.12 119.36 117.22 1v5n n ILE 15 Ca -0.08 1.75 0.00 0.00 0.56 0.00 0.00 62.75 64.98 1v5n n ILE 15 Cb 0.31 -2.35 0.07 0.00 -0.75 0.00 0.00 39.64 36.92 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 -0.01 -0.81 0.38 5.08 -1.75 0.06 114.58 117.52 1v5n h GLU 16 Ca 0.30 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.82 1v5n h GLU 16 Cb 0.49 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.59 1v5n h GLU 16 CO -0.76 -0.01 -0.20 0.00 -1.00 0.00 0.00 179.01 177.04 1v5n h ALA 17 N 1.65 0.53 -0.53 3.43 0.00 0.72 0.31 119.26 125.38 1v5n h ALA 17 Ca 0.33 0.32 0.10 0.00 0.00 0.00 0.00 54.91 55.66 1v5n h ALA 17 Cb 0.51 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1v5n h ALA 17 CO -0.71 -0.40 0.04 0.87 0.00 0.00 0.00 179.25 179.04 1v5n h LYS 18 N -0.00 0.16 0.06 0.00 6.56 -0.96 -1.36 116.57 121.03 1v5n h LYS 18 Ca 0.39 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.97 1v5n h LYS 18 Cb 0.59 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1v5n h LYS 18 CO -0.84 0.10 -0.03 1.88 -2.06 0.00 0.00 179.45 178.51 1v5n h TYR 19 N 0.16 -0.07 -1.09 -1.35 0.05 -0.51 -3.03 116.97 111.13 1v5n h TYR 19 Ca 0.27 -0.00 0.32 0.00 0.05 0.00 0.00 58.73 59.37 1v5n h TYR 19 Cb 0.41 0.02 -0.12 0.00 1.01 0.00 0.00 36.73 38.05 1v5n h TYR 19 CO -0.29 0.30 0.67 -0.44 -1.05 0.00 0.00 178.16 177.35 1v5n h ASP 20 N -0.45 0.45 0.01 3.88 3.32 -0.07 0.88 116.42 124.44 1v5n h ASP 20 Ca -0.01 0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 1v5n h ASP 20 Cb 0.40 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1v5n h ASP 20 CO 0.01 -0.03 -0.27 -0.08 -1.72 0.00 0.00 179.24 177.15 1v5n h GLU 21 N 0.33 0.40 -0.24 3.56 4.57 -1.14 -2.53 114.58 119.53 1v5n h GLU 21 Ca 0.69 -0.15 -0.11 0.00 -1.18 0.00 0.00 59.36 58.61 1v5n h GLU 21 Cb 1.75 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.30 1v5n h GLU 21 CO -0.43 0.64 -0.32 0.82 -1.18 0.00 0.00 179.01 178.54 1v5n h ILE 22 N 0.36 1.28 -0.93 2.32 2.04 0.84 -2.88 117.51 120.55 1v5n h ILE 22 Ca 0.05 -1.41 -0.50 0.00 1.00 0.00 0.00 64.86 64.01 1v5n h ILE 22 Cb 0.66 1.45 -0.29 0.00 -0.74 0.00 0.00 36.82 37.91 1v5n h ILE 22 CO 0.05 0.44 0.59 0.00 0.00 0.00 0.00 178.15 179.23 1v5n n ALA 23 N -2.49 5.54 -0.22 1.87 0.00 -0.82 -4.57 120.51 119.82 1v5n n ALA 23 Ca -0.01 -3.00 -0.07 0.00 0.00 0.00 0.00 53.44 50.36 1v5n n ALA 23 Cb 0.45 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 1.12 0.92 0.01 0.00 1.57 -1.23 -3.05 116.57 115.92 1v5n h LYS 24 Ca 0.59 -0.17 -0.26 0.00 -1.87 0.00 0.00 60.65 58.94 1v5n h LYS 24 Cb 2.51 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 34.63 1v5n h LYS 24 CO 1.08 0.78 -1.43 -0.44 -0.57 0.00 0.00 179.45 178.87 1v5n h ASP 25 N 0.86 0.04 -2.22 0.86 3.32 -1.85 -3.46 116.42 113.98 1v5n h ASP 25 Ca 0.21 -0.06 -0.58 0.00 0.02 0.00 0.00 57.03 56.61 1v5n h ASP 25 Cb 0.21 -0.01 0.04 0.00 0.22 0.00 0.00 39.33 39.78 1v5n h ASP 25 CO -0.02 1.05 0.98 0.79 -1.72 0.00 0.00 179.24 180.33 1v5n n TRP 26 N -3.20 2.37 -2.21 4.55 7.02 -1.15 -4.94 117.44 119.87 1v5n n TRP 26 Ca -0.11 0.07 -0.35 0.00 -1.02 0.00 0.00 57.50 56.09 1v5n n TRP 26 Cb 1.01 -2.63 0.01 0.00 -2.42 0.00 0.00 31.31 27.28 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 2.55 3.30 0.20 -0.99 0.04 -1.26 -4.96 135.00 133.87 1v5n s PRO 27 Ca 0.85 1.59 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 1v5n s PRO 27 Cb -0.64 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.04 1v5n s PRO 27 CO 0.43 -0.89 1.55 0.87 0.04 0.00 0.00 177.00 179.00 1v5n h LYS 28 N 1.08 0.63 -4.48 4.56 1.79 -1.94 -3.42 116.57 114.78 1v5n h LYS 28 Ca -0.50 -0.34 -0.58 0.00 -2.18 0.00 0.00 60.65 57.05 1v5n h LYS 28 Cb 1.26 0.02 -0.37 0.00 -1.58 0.00 0.00 32.23 31.56 1v5n h LYS 28 CO 0.57 0.95 -0.82 0.15 -1.08 0.00 0.00 179.45 179.21 1v5n s LYS 29 N -4.20 1.96 0.18 3.15 -0.14 -1.26 -2.14 119.74 117.30 1v5n s LYS 29 Ca -0.08 -0.53 0.08 0.00 -1.36 0.00 0.00 55.97 54.08 1v5n s LYS 29 Cb 0.12 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.20 1v5n s LYS 29 CO 0.84 -0.30 -0.05 0.54 -0.76 0.00 0.00 175.35 175.62 1v5n s VAL 30 N 1.54 3.46 -0.84 3.17 0.11 -0.83 -4.91 120.40 122.10 1v5n s VAL 30 Ca 0.03 -1.55 -0.03 0.00 -2.93 0.00 0.00 61.98 57.50 1v5n s VAL 30 Cb -0.14 -2.73 0.21 0.00 -1.53 0.00 0.00 36.38 32.19 1v5n s VAL 30 CO -0.09 -0.12 0.71 -0.75 -3.33 0.00 0.00 175.10 171.52 1v5n s LYS 31 N -2.91 3.17 0.74 1.54 2.47 -1.26 0.32 119.74 123.80 1v5n s LYS 31 Ca 0.26 -3.07 -0.15 0.00 -1.56 0.00 0.00 55.97 51.46 1v5n s LYS 31 Cb -0.09 -3.95 0.04 0.00 -1.46 0.00 0.00 37.83 32.37 1v5n s LYS 31 CO 0.17 -1.24 1.20 -1.58 0.16 0.00 0.00 175.35 174.05 1v5n s HIS 32 N -0.98 2.06 -0.07 4.03 5.65 -1.26 -4.84 115.29 119.89 1v5n s HIS 32 Ca 0.25 1.61 -0.26 0.00 0.25 0.00 0.00 55.06 56.90 1v5n s HIS 32 Cb -0.10 -3.44 -0.23 0.00 -1.18 0.00 0.00 32.58 27.62 1v5n s HIS 32 CO -0.10 -2.56 1.02 -0.24 -0.65 0.00 0.00 174.74 172.21 1v5n h VAL 33 N -0.39 1.58 0.00 0.89 3.04 -1.94 0.24 116.25 119.67 1v5n h VAL 33 Ca -0.47 -1.85 -0.01 0.00 -1.01 0.00 0.00 66.70 63.36 1v5n h VAL 33 Cb 1.29 2.79 -0.00 0.00 -2.01 0.00 0.00 31.29 33.36 1v5n h VAL 33 CO 0.49 0.49 -0.04 -0.07 -1.01 0.00 0.00 177.57 177.43 1v5n h LEU 34 N -0.64 0.00 -2.97 3.16 3.38 -1.99 -2.13 115.31 114.12 1v5n h LEU 34 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1v5n h LEU 34 Cb 0.86 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1v5n h LEU 34 CO 0.02 0.04 -0.38 1.57 0.09 0.00 0.00 178.44 179.79 1v5n n HIS 35 N -3.47 0.00 -0.39 1.13 -0.00 -1.22 -4.82 115.22 106.45 1v5n n HIS 35 Ca -0.02 -1.23 0.35 0.00 0.46 0.00 0.00 57.72 57.28 1v5n n HIS 35 Cb 0.16 -0.21 0.60 0.00 -0.12 0.00 0.00 29.99 30.43 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 -1.08 -0.04 -0.28 1.57 -0.00 0.82 -0.45 120.64 121.19 1v5n n GLU 36 Ca 0.17 1.21 0.07 0.00 -0.00 0.00 0.00 57.16 58.60 1v5n n GLU 36 Cb 0.70 -2.31 0.14 0.00 -0.00 0.00 0.00 31.44 29.98 1v5n n GLU 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1v5n n GLU 37 N -4.76 -0.07 -4.26 3.44 -0.58 -1.26 -4.60 120.64 108.55 1v5n n GLU 37 Ca 0.37 1.19 -0.17 0.00 -0.42 0.00 0.00 57.16 58.13 1v5n n GLU 37 Cb 1.37 -1.81 -0.09 0.00 -0.57 0.00 0.00 31.44 30.34 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 -5.90 1.53 -0.21 -0.32 3.76 0.41 -5.15 115.29 109.40 1v5n s HIS 38 Ca -0.11 -1.54 -0.07 0.00 -0.15 0.00 0.00 55.06 53.19 1v5n s HIS 38 Cb 0.21 -0.67 -0.04 0.00 1.11 0.00 0.00 32.58 33.20 1v5n s HIS 38 CO 0.60 -0.76 0.07 -1.21 -0.85 0.00 0.00 174.74 172.59 1v5n s GLU 39 N -3.74 3.83 1.09 1.40 2.02 -1.26 -4.38 118.70 117.66 1v5n s GLU 39 Ca 0.40 -0.41 -0.12 0.00 0.02 0.00 0.00 54.97 54.86 1v5n s GLU 39 Cb 0.04 -3.26 0.24 0.00 0.10 0.00 0.00 34.13 31.25 1v5n s GLU 39 CO 0.21 0.07 1.06 -0.51 0.02 0.00 0.00 175.26 176.10 1v5n s LEU 40 N 0.94 1.27 -0.28 1.80 2.01 0.15 -4.67 118.68 119.90 1v5n s LEU 40 Ca 0.04 1.51 -0.01 0.00 0.01 0.00 0.00 54.13 55.68 1v5n s LEU 40 Cb -0.14 -3.56 0.09 0.00 0.01 0.00 0.00 46.19 42.59 1v5n s LEU 40 CO 0.03 -3.79 0.07 -0.70 1.01 0.00 0.00 176.35 172.97 1v5n s GLU 41 N -4.61 0.74 -0.69 1.70 2.12 0.10 -1.97 118.70 116.09 1v5n s GLU 41 Ca 0.67 -0.89 -0.26 0.00 0.36 0.00 0.00 54.97 54.86 1v5n s GLU 41 Cb -0.23 -2.03 -0.16 0.00 0.26 0.00 0.00 34.13 31.97 1v5n s GLU 41 CO 0.62 -0.88 1.99 -0.11 -0.54 0.00 0.00 175.26 176.35 1v5n n LEU 42 N 4.90 0.29 -4.64 2.70 7.94 -0.91 -2.35 117.00 124.94 1v5n n LEU 42 Ca -0.05 0.21 -0.33 0.00 -1.11 0.00 0.00 56.01 54.74 1v5n n LEU 42 Cb 0.43 -0.70 -0.10 0.00 0.53 0.00 0.00 43.42 43.58 1v5n n LEU 42 CO 0.12 -0.56 -0.35 -0.89 -1.11 0.00 0.00 177.39 174.60 1v5n s THR 43 N 6.47 3.93 -0.12 1.96 2.01 0.19 -4.86 115.64 125.23 1v5n s THR 43 Ca 1.02 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1v5n s THR 43 Cb -1.01 -2.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1v5n s THR 43 CO 0.40 0.43 1.09 -0.13 -0.69 0.00 0.00 174.62 175.72 1v5n s ARG 44 N -1.36 4.36 -0.06 4.92 1.81 -1.26 -0.76 118.95 126.60 1v5n s ARG 44 Ca 0.17 1.49 -0.04 0.00 -1.72 0.00 0.00 55.73 55.63 1v5n s ARG 44 Cb -0.11 -3.58 0.02 0.00 -0.45 0.00 0.00 34.95 30.83 1v5n s ARG 44 CO 0.07 -0.44 0.14 0.08 -0.68 0.00 0.00 175.30 174.48 1v5n s VAL 45 N 2.39 -0.02 0.05 3.52 1.01 -1.26 -4.92 120.40 121.17 1v5n s VAL 45 Ca 0.50 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.30 1v5n s VAL 45 Cb -0.20 -0.22 -0.17 0.00 0.00 0.00 0.00 36.38 35.79 1v5n s VAL 45 CO 0.17 0.03 1.54 -0.61 0.00 0.00 0.00 175.10 176.23 1v5n h GLN 46 N 6.50 -0.22 -2.61 2.72 4.15 -1.94 0.11 115.11 123.82 1v5n h GLN 46 Ca -0.33 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.01 1v5n h GLN 46 Cb 1.17 0.05 -0.21 0.00 0.21 0.00 0.00 27.48 28.71 1v5n h GLN 46 CO 0.42 -0.03 -0.11 0.08 -1.93 0.00 0.00 178.83 177.26 1v5n s VAL 47 N -5.52 0.02 0.20 2.39 1.01 -1.26 -3.79 120.40 113.45 1v5n s VAL 47 Ca -0.15 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1v5n s VAL 47 Cb 0.04 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1v5n s VAL 47 CO 0.63 -0.10 0.39 0.00 0.00 0.00 0.00 175.10 176.02 1v5n n TYR 48 N 1.75 -1.62 -3.85 5.22 4.11 -1.24 -5.01 117.16 116.52 1v5n n TYR 48 Ca -0.18 -0.97 -0.30 0.00 -0.00 0.00 0.00 57.90 56.45 1v5n n TYR 48 Cb 0.56 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 -2.55 1.22 0.24 -3.48 2.01 -1.26 -3.70 115.64 108.11 1v5n s THR 49 Ca 0.09 -1.24 -0.31 0.00 0.31 0.00 0.00 61.69 60.54 1v5n s THR 49 Cb -0.02 -1.69 -0.12 0.00 0.01 0.00 0.00 72.50 70.68 1v5n s THR 49 CO 0.07 -0.32 1.67 0.00 -0.69 0.00 0.00 174.62 175.34 1v5n n ASP 51 N 3.29 3.82 0.05 0.00 2.03 -1.26 -2.86 116.55 121.63 1v5n n ASP 51 Ca 0.13 -3.29 0.00 0.00 0.52 0.00 0.00 54.79 52.15 1v5n n ASP 51 Cb 0.35 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 -0.71 0.00 0.00 -0.67 4.81 -1.26 -4.84 118.16 115.49 1v5n n LYS 52 Ca 0.47 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 58.01 1v5n n LYS 52 Cb 1.44 -0.41 0.05 0.00 0.02 0.00 0.00 35.03 36.13 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 0.64 -4.18 -2.87 0.00 1.02 -1.14 -5.04 120.64 109.07 1v5n n GLU 54 Ca 0.10 0.60 -0.10 0.00 -0.02 0.00 0.00 57.16 57.75 1v5n n GLU 54 Cb 0.44 -4.84 -0.02 0.00 -0.02 0.00 0.00 31.44 27.00 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 -3.14 1.05 -3.82 3.49 -0.58 -1.23 -4.91 120.64 111.49 1v5n n GLU 55 Ca -0.18 -1.24 -0.27 0.00 -0.42 0.00 0.00 57.16 55.06 1v5n n GLU 55 Cb 0.61 0.56 -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 -2.58 1.04 0.84 3.49 2.12 -1.26 0.75 118.70 123.11 1v5n s GLU 56 Ca 0.05 -0.31 -0.07 0.00 0.36 0.00 0.00 54.97 54.99 1v5n s GLU 56 Cb 0.00 -1.74 0.17 0.00 0.26 0.00 0.00 34.13 32.83 1v5n s GLU 56 CO 0.04 -0.44 1.16 0.20 -0.54 0.00 0.00 175.26 175.68 1v5n s GLY 57 N 1.78 1.78 -0.11 -1.50 0.00 -1.24 -4.90 107.32 103.13 1v5n s GLY 57 Ca 0.02 -1.61 -0.21 0.00 0.00 0.00 0.00 44.72 42.91 1v5n s GLY 57 CO -0.07 -0.91 0.52 -0.51 0.00 0.00 0.00 173.10 172.13 1v5n s THR 58 N -3.50 0.02 -0.86 0.90 -4.23 -1.26 -3.70 115.64 103.00 1v5n s THR 58 Ca 0.71 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1v5n s THR 58 Cb -0.04 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.01 1v5n s THR 58 CO 0.49 -0.07 0.00 -0.38 -0.54 0.00 0.00 174.62 174.12 1v5n n ILE 59 N 1.82 -0.21 -3.65 2.99 2.08 0.38 -4.82 119.36 117.96 1v5n n ILE 59 Ca -0.17 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.12 1v5n n ILE 59 Cb 0.56 -1.06 -0.07 0.00 -0.75 0.00 0.00 39.64 38.32 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 -2.10 -0.05 -0.30 1.39 0.23 -1.20 -4.69 118.94 112.22 1v5n s TRP 60 Ca 0.00 0.13 -0.18 0.00 -2.03 0.00 0.00 56.10 54.02 1v5n s TRP 60 Cb 0.00 0.43 0.18 0.00 0.03 0.00 0.00 33.47 34.12 1v5n s TRP 60 CO 0.00 -0.03 1.20 -1.54 0.96 0.00 0.00 176.95 177.55 1v5n s SER 61 N 0.15 -0.20 -0.64 2.95 1.04 0.06 -4.66 113.70 112.39 1v5n s SER 61 Ca 0.06 0.24 -0.26 0.00 0.48 0.00 0.00 55.95 56.46 1v5n s SER 61 Cb -0.05 1.22 -0.02 0.00 0.10 0.00 0.00 66.02 67.27 1v5n s SER 61 CO -0.15 -0.04 1.85 -0.31 0.98 0.00 0.00 173.24 175.57 1v5n s TYR 62 N 2.33 1.69 0.09 5.02 2.02 -0.74 0.57 117.35 128.34 1v5n s TYR 62 Ca -0.02 0.74 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 1v5n s TYR 62 Cb -0.04 -4.11 -0.04 0.00 -0.40 0.00 0.00 41.96 37.38 1v5n s TYR 62 CO -0.15 -2.25 0.11 -1.58 -1.57 0.00 0.00 175.55 170.11 1v5n s HIS 63 N 9.04 3.23 -0.16 2.71 5.65 -0.99 -2.02 115.29 132.75 1v5n s HIS 63 Ca 0.66 0.08 0.01 0.00 0.25 0.00 0.00 55.06 56.07 1v5n s HIS 63 Cb -0.12 -1.62 0.01 0.00 -1.18 0.00 0.00 32.58 29.67 1v5n s HIS 63 CO 0.19 0.53 -0.20 0.00 -0.65 0.00 0.00 174.74 174.61 1v5n n ASP 65 N 4.36 2.48 0.00 0.00 2.03 -1.26 -0.24 116.55 123.93 1v5n n ASP 65 Ca -0.20 -1.63 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1v5n n ASP 65 Cb 0.51 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.63 0.36 -0.39 -0.67 4.07 -1.26 -4.88 120.64 118.49 1v5n n GLU 66 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 1v5n n GLU 66 Cb 0.40 -0.63 0.03 0.00 -0.06 0.00 0.00 31.44 31.19 1v5n n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1v5n n ASP 68 N -0.36 -0.39 -4.54 0.00 5.75 0.67 -4.86 116.55 112.82 1v5n n ASP 68 Ca 0.04 -1.01 -0.41 0.00 -0.01 0.00 0.00 54.79 53.41 1v5n n ASP 68 Cb 0.68 -1.24 -0.10 0.00 -1.03 0.00 0.00 41.12 39.44 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 -4.02 3.22 -0.05 2.11 5.36 -1.25 -4.80 117.98 118.55 1v5n s PHE 69 Ca 0.11 -0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 55.98 1v5n s PHE 69 Cb -0.06 -2.61 -0.04 0.00 -0.34 0.00 0.00 43.02 39.97 1v5n s PHE 69 CO 0.77 -0.41 0.11 -0.51 -1.46 0.00 0.00 175.22 173.73 1v5n s ASP 70 N 1.73 6.01 0.34 6.13 1.11 -1.23 -2.64 116.67 128.12 1v5n s ASP 70 Ca 0.10 0.30 -0.05 0.00 0.18 0.00 0.00 52.55 53.08 1v5n s ASP 70 Cb -0.17 -1.84 0.01 0.00 1.07 0.00 0.00 42.92 41.99 1v5n s ASP 70 CO 0.11 0.33 0.51 -0.76 1.18 0.00 0.00 175.17 176.54 1v5n s LEU 71 N -1.46 0.84 0.05 1.23 1.43 -0.86 -4.08 118.68 115.84 1v5n s LEU 71 Ca 0.20 -1.41 -0.15 0.00 -1.03 0.00 0.00 54.13 51.75 1v5n s LEU 71 Cb -0.12 1.66 -0.06 0.00 0.03 0.00 0.00 46.19 47.69 1v5n s LEU 71 CO 0.11 -1.34 0.46 -1.00 0.23 0.00 0.00 176.35 174.81 1v5n s HIS 72 N -3.02 3.70 0.33 0.29 3.76 -1.26 -1.79 115.29 117.28 1v5n s HIS 72 Ca 0.28 1.02 0.09 0.00 -0.15 0.00 0.00 55.06 56.30 1v5n s HIS 72 Cb -0.01 -2.32 0.82 0.00 1.11 0.00 0.00 32.58 32.19 1v5n s HIS 72 CO 0.18 0.57 1.78 0.00 -0.85 0.00 0.00 174.74 176.43 1v5n h ALA 73 N 4.29 1.79 0.20 -1.40 0.00 -1.96 0.57 119.26 122.75 1v5n h ALA 73 Ca -0.50 0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.16 1v5n h ALA 73 Cb 1.21 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.98 1v5n h ALA 73 CO 0.63 -0.17 -1.39 1.57 0.00 0.00 0.00 179.25 179.89 1v5n h LYS 74 N 0.68 0.57 -0.20 0.00 5.09 -1.98 -2.55 116.57 118.17 1v5n h LYS 74 Ca 0.58 -0.88 0.03 0.00 0.09 0.00 0.00 60.65 60.46 1v5n h LYS 74 Cb 1.02 0.32 -0.03 0.00 0.10 0.00 0.00 32.23 33.64 1v5n h LYS 74 CO -0.36 1.42 0.01 0.00 -2.09 0.00 0.00 179.45 178.42 1v5n h ALA 76 N 1.16 0.54 -0.46 0.00 0.00 -1.07 -3.17 119.26 116.26 1v5n h ALA 76 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1v5n h ALA 76 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1v5n h ALA 76 CO -0.14 0.49 0.31 -0.07 0.00 0.00 0.00 179.25 179.83 1v5n h LEU 77 N 0.61 0.54-10.36 0.00 3.38 -1.14 -3.44 115.31 104.90 1v5n h LEU 77 Ca 0.09 -0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.56 1v5n h LEU 77 Cb 0.74 -0.13 0.04 0.00 0.09 0.00 0.00 40.66 41.39 1v5n h LEU 77 CO 0.06 0.39 0.04 0.20 0.09 0.00 0.00 178.44 179.22 1v5n s ASN 78 N -5.62 5.89 -0.15 -0.43 0.01 0.61 -5.04 114.94 110.20 1v5n s ASN 78 Ca -0.13 0.61 -0.07 0.00 -0.71 0.00 0.00 52.86 52.56 1v5n s ASN 78 Cb 0.12 -1.81 -0.07 0.00 0.41 0.00 0.00 41.25 39.90 1v5n s ASN 78 CO 0.73 -0.76 -0.19 -1.84 -1.51 0.00 0.00 177.10 173.53 1v5n n GLU 79 N -2.27 0.32 -0.83 -0.60 0.28 -1.26 -4.80 120.64 111.47 1v5n n GLU 79 Ca 0.02 0.13 -0.39 0.00 -0.16 0.00 0.00 57.16 56.76 1v5n n GLU 79 Cb 0.57 -1.06 -0.07 0.00 1.43 0.00 0.00 31.44 32.30 1v5n n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1v5n n ASP 80 N -3.59 0.51 -4.23 -1.84 -0.08 -1.26 -4.89 116.55 101.18 1v5n n ASP 80 Ca -0.29 0.47 -0.32 0.00 -1.51 0.00 0.00 54.79 53.14 1v5n n ASP 80 Cb 0.72 -0.57 -0.17 0.00 2.34 0.00 0.00 41.12 43.44 1v5n n ASP 80 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1v5n s THR 81 N 3.59 2.07 -0.55 5.18 2.01 -1.26 -5.07 115.64 121.61 1v5n s THR 81 Ca 0.75 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.77 1v5n s THR 81 Cb -0.95 -1.78 0.16 0.00 0.01 0.00 0.00 72.50 69.94 1v5n s THR 81 CO 0.43 0.56 0.39 -0.54 -0.69 0.00 0.00 174.62 174.78 1v5n s LYS 82 N 0.29 1.67 0.37 4.92 -0.14 -1.26 -5.11 119.74 120.48 1v5n s LYS 82 Ca -0.17 -2.65 -0.26 0.00 -1.36 0.00 0.00 55.97 51.53 1v5n s LYS 82 Cb -0.18 -2.46 -0.12 0.00 -1.68 0.00 0.00 37.83 33.39 1v5n s LYS 82 CO 0.08 -1.31 1.01 -0.85 -0.76 0.00 0.00 175.35 173.52 1v5n n GLU 83 N 2.56 1.37 -3.82 1.68 0.28 -1.26 -5.00 120.64 116.44 1v5n n GLU 83 Ca 0.22 0.49 -0.12 0.00 -0.16 0.00 0.00 57.16 57.59 1v5n n GLU 83 Cb 0.40 -1.97 -0.10 0.00 1.43 0.00 0.00 31.44 31.19 1v5n n GLU 83 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1v5n s SER 84 N -0.66 -0.11 -0.24 -1.84 1.04 -1.26 -5.15 113.70 105.49 1v5n s SER 84 Ca 0.61 0.08 -0.03 0.00 0.48 0.00 0.00 55.95 57.09 1v5n s SER 84 Cb -0.60 0.31 0.13 0.00 0.10 0.00 0.00 66.02 65.96 1v5n s SER 84 CO 0.58 -0.29 0.34 -0.83 0.98 0.00 0.00 173.24 174.02 1v5n s GLY 85 N -0.88 -0.31 -0.02 7.32 0.00 -1.26 -5.04 107.32 107.13 1v5n s GLY 85 Ca -0.10 0.66 -0.25 0.00 0.00 0.00 0.00 44.72 45.03 1v5n s GLY 85 CO 0.02 2.57 1.23 -0.56 0.00 0.00 0.00 173.10 176.35 1v5n h PRO 86 N 8.22 -0.06 -2.95 2.90 0.13 -2.06 -3.46 132.00 134.71 1v5n h PRO 86 Ca -0.18 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.83 1v5n h PRO 86 Cb 1.15 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 1v5n h PRO 86 CO 0.28 0.41 -0.27 -1.12 -0.23 0.00 0.00 178.00 177.06 1v5n s SER 87 N -5.61 -0.26 -0.12 1.44 0.01 -1.26 -5.08 113.70 102.82 1v5n s SER 87 Ca -0.15 0.31 -0.07 0.00 1.31 0.00 0.00 55.95 57.35 1v5n s SER 87 Cb 0.02 0.46 -0.06 0.00 0.21 0.00 0.00 66.02 66.65 1v5n s SER 87 CO 0.64 -0.34 0.12 -1.28 0.41 0.00 0.00 173.24 172.79 1v5n h SER 88 N 4.41 0.00 0.00 2.44 0.87 -2.04 -3.55 113.55 115.68 1v5n h SER 88 Ca -0.29 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1v5n h SER 88 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1v5n h SER 88 CO 0.36 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 177.92