#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 -0.44 0.33 1.61 1.04 -1.26 -5.19 113.70 109.78 1v5n s SER 2 Ca 0.00 -0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.17 1v5n s SER 2 Cb 0.00 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.70 1v5n s SER 2 CO 0.00 -0.87 0.82 -0.55 0.98 0.00 0.00 173.24 173.63 1v5n s SER 3 N -2.68 -0.05 0.04 7.02 0.15 -1.26 -5.19 113.70 111.73 1v5n s SER 3 Ca 0.04 -0.95 -0.28 0.00 0.70 0.00 0.00 55.95 55.47 1v5n s SER 3 Cb -0.01 0.76 0.09 0.00 -1.71 0.00 0.00 66.02 65.15 1v5n s SER 3 CO -0.09 -1.49 0.90 -0.83 1.20 0.00 0.00 173.24 172.93 1v5n s GLY 4 N -3.09 -0.41 0.04 9.45 0.00 -1.26 -5.18 107.32 106.87 1v5n s GLY 4 Ca 0.15 0.77 -0.16 0.00 0.00 0.00 0.00 44.72 45.48 1v5n s GLY 4 CO 0.09 0.24 0.37 -1.35 0.00 0.00 0.00 173.10 172.45 1v5n s SER 5 N -2.61 -0.22 0.03 1.64 1.04 -1.26 -5.18 113.70 107.14 1v5n s SER 5 Ca 0.07 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 1v5n s SER 5 Cb -0.01 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 1v5n s SER 5 CO -0.06 -0.63 0.12 -0.94 0.98 0.00 0.00 173.24 172.71 1v5n s SER 6 N -1.95 0.11 0.00 7.02 1.04 -1.26 -5.14 113.70 113.51 1v5n s SER 6 Ca -0.06 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1v5n s SER 6 Cb -0.01 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1v5n s SER 6 CO -0.02 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1v5n n GLY 7 N 1.02 1.55 4.01 7.32 0.00 -1.26 -5.15 105.19 112.69 1v5n n GLY 7 Ca -0.20 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 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 1.90 2.81 0.11 2.61 -4.23 -1.26 -5.03 115.64 112.56 1v5n s THR 8 Ca 0.00 -1.00 -0.35 0.00 -1.18 0.00 0.00 61.69 59.15 1v5n s THR 8 Cb 0.00 -2.82 -0.17 0.00 1.34 0.00 0.00 72.50 70.85 1v5n s THR 8 CO 0.00 0.00 1.20 -0.62 -0.54 0.00 0.00 174.62 174.66 1v5n n GLU 9 N -1.93 0.92 -3.92 3.99 4.71 -1.26 -4.97 120.64 118.19 1v5n n GLU 9 Ca 0.10 0.33 -0.24 0.00 -0.01 0.00 0.00 57.16 57.33 1v5n n GLU 9 Cb 0.60 -1.87 -0.17 0.00 -1.01 0.00 0.00 31.44 28.98 1v5n n GLU 9 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1v5n s GLU 10 N 0.03 1.11 -1.36 3.49 2.02 -1.26 -4.82 118.70 117.91 1v5n s GLU 10 Ca 0.81 -0.11 -0.05 0.00 0.02 0.00 0.00 54.97 55.64 1v5n s GLU 10 Cb -0.97 -1.26 0.02 0.00 0.10 0.00 0.00 34.13 32.03 1v5n s GLU 10 CO 0.51 -0.25 0.88 0.54 0.02 0.00 0.00 175.26 176.97 1v5n n ARG 11 N 4.87 -5.73 -1.17 1.61 1.74 -1.26 -4.66 116.66 112.05 1v5n n ARG 11 Ca -0.12 0.68 -0.34 0.00 -0.77 0.00 0.00 57.85 57.30 1v5n n ARG 11 Cb 0.50 -5.46 -0.12 0.00 -1.02 0.00 0.00 32.46 26.37 1v5n n ARG 11 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1v5n n LEU 12 N -4.46 0.26 -0.08 0.55 4.32 -1.26 -4.76 117.00 111.57 1v5n n LEU 12 Ca -0.17 0.18 -0.08 0.00 -0.02 0.00 0.00 56.01 55.92 1v5n n LEU 12 Cb 0.62 -0.73 -0.03 0.00 -1.62 0.00 0.00 43.42 41.66 1v5n n LEU 12 CO 0.69 -0.57 -0.58 2.29 -1.22 0.00 0.00 177.39 177.99 1v5n n LYS 13 N 6.68 0.50 0.13 3.23 2.85 -1.26 -4.28 118.16 126.02 1v5n n LYS 13 Ca 0.52 0.33 -0.14 0.00 -1.05 0.00 0.00 58.31 57.97 1v5n n LYS 13 Cb 0.02 -1.53 -0.08 0.00 -0.65 0.00 0.00 35.03 32.78 1v5n n LYS 13 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1v5n h GLU 14 N -1.00 -0.28 -0.82 -1.58 4.57 -1.99 -2.44 114.58 111.04 1v5n h GLU 14 Ca -0.03 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1v5n h GLU 14 Cb 0.85 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 29.41 1v5n h GLU 14 CO -0.02 -0.07 -0.49 -0.89 -1.18 0.00 0.00 179.01 176.37 1v5n n ILE 15 N -5.15 -0.56 -0.23 2.32 2.08 -1.26 0.04 119.36 116.61 1v5n n ILE 15 Ca -0.09 2.20 -0.02 0.00 0.56 0.00 0.00 62.75 65.40 1v5n n ILE 15 Cb 0.19 -2.73 0.10 0.00 -0.75 0.00 0.00 39.64 36.45 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 0.65 -1.28 0.38 4.39 -1.74 -1.47 114.58 115.51 1v5n h GLU 16 Ca 0.13 -0.04 0.38 0.00 0.34 0.00 0.00 59.36 60.18 1v5n h GLU 16 Cb 0.34 -0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 28.74 1v5n h GLU 16 CO -0.77 0.43 0.86 0.00 -1.16 0.00 0.00 179.01 178.36 1v5n h ALA 17 N 1.35 2.78 0.58 3.43 0.00 0.13 -0.27 119.26 127.25 1v5n h ALA 17 Ca 0.30 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1v5n h ALA 17 Cb 0.19 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1v5n h ALA 17 CO -0.19 -1.28 -0.28 0.87 0.00 0.00 0.00 179.25 178.38 1v5n h LYS 18 N 0.15 -0.75 -1.00 0.00 1.57 -0.68 -3.13 116.57 112.74 1v5n h LYS 18 Ca 0.72 0.05 0.36 0.00 -1.87 0.00 0.00 60.65 59.91 1v5n h LYS 18 Cb 2.33 0.17 -0.16 0.00 0.08 0.00 0.00 32.23 34.65 1v5n h LYS 18 CO -0.27 -0.45 0.55 1.88 -0.57 0.00 0.00 179.45 180.59 1v5n h TYR 19 N -1.11 0.88 -0.80 -1.35 0.05 -1.08 0.47 116.97 114.02 1v5n h TYR 19 Ca -0.08 0.04 0.19 0.00 0.05 0.00 0.00 58.73 58.93 1v5n h TYR 19 Cb 0.65 -0.22 -0.12 0.00 1.01 0.00 0.00 36.73 38.05 1v5n h TYR 19 CO 0.01 -0.29 0.22 -0.44 -1.05 0.00 0.00 178.16 176.61 1v5n h ASP 20 N 0.20 0.05 -0.01 3.88 3.32 -1.41 0.87 116.42 123.32 1v5n h ASP 20 Ca 0.78 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.99 1v5n h ASP 20 Cb 1.88 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.64 1v5n h ASP 20 CO -0.67 -0.06 0.01 -0.08 -1.72 0.00 0.00 179.24 176.72 1v5n h GLU 21 N 0.28 0.00 0.01 3.56 4.81 -0.15 2.06 114.58 125.15 1v5n h GLU 21 Ca 0.47 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.43 1v5n h GLU 21 Cb 0.86 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1v5n h GLU 21 CO -0.55 0.00 -1.57 0.82 -0.73 0.00 0.00 179.01 176.98 1v5n h ILE 22 N 0.00 1.03 -0.02 2.32 2.04 0.64 -3.36 117.51 120.16 1v5n h ILE 22 Ca 0.01 -2.84 -0.01 0.00 1.00 0.00 0.00 64.86 63.01 1v5n h ILE 22 Cb 0.03 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1v5n h ILE 22 CO -0.00 0.61 -0.40 0.00 0.00 0.00 0.00 178.15 178.36 1v5n n ALA 23 N -2.53 3.49 0.19 1.87 0.00 -0.19 -4.70 120.51 118.64 1v5n n ALA 23 Ca -0.14 -3.19 0.05 0.00 0.00 0.00 0.00 53.44 50.16 1v5n n ALA 23 Cb 1.03 -0.38 0.36 0.00 0.00 0.00 0.00 19.45 20.46 1v5n n ALA 23 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1v5n h LYS 24 N 0.85 0.00 0.00 0.00 2.10 0.31 -3.16 116.57 116.68 1v5n h LYS 24 Ca 0.01 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.32 1v5n h LYS 24 Cb 1.04 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.31 1v5n h LYS 24 CO 0.02 0.37 -2.14 -0.25 -2.00 0.00 0.00 179.45 175.45 1v5n n ASP 25 N -3.64 0.44 -4.71 7.07 8.00 -1.26 -4.94 116.55 117.52 1v5n n ASP 25 Ca -0.01 0.15 -0.43 0.00 0.71 0.00 0.00 54.79 55.21 1v5n n ASP 25 Cb 0.48 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 42.06 1v5n n ASP 25 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1v5n n TRP 26 N -2.89 2.64 -2.26 1.24 8.01 -1.20 -4.95 117.44 118.04 1v5n n TRP 26 Ca -0.28 0.11 -0.38 0.00 -1.31 0.00 0.00 57.50 55.64 1v5n n TRP 26 Cb 1.11 -2.64 -0.01 0.00 -2.01 0.00 0.00 31.31 27.76 1v5n n TRP 26 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1v5n s PRO 27 N 1.00 3.92 0.31 -0.99 0.04 -1.26 -4.95 135.00 133.08 1v5n s PRO 27 Ca 0.75 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.68 1v5n s PRO 27 Cb -0.55 -2.57 0.52 0.00 0.04 0.00 0.00 34.50 31.94 1v5n s PRO 27 CO 0.35 -0.43 1.79 0.87 0.04 0.00 0.00 177.00 179.62 1v5n h LYS 28 N 2.40 0.45 -4.58 4.56 1.79 -1.94 -3.41 116.57 115.84 1v5n h LYS 28 Ca -0.49 -0.14 -0.59 0.00 -2.18 0.00 0.00 60.65 57.25 1v5n h LYS 28 Cb 1.24 -0.04 -0.36 0.00 -1.58 0.00 0.00 32.23 31.49 1v5n h LYS 28 CO 0.62 0.61 -0.82 0.15 -1.08 0.00 0.00 179.45 178.92 1v5n s LYS 29 N -4.64 2.14 0.03 3.15 -0.14 -1.26 -1.69 119.74 117.32 1v5n s LYS 29 Ca -0.07 -0.55 0.07 0.00 -1.36 0.00 0.00 55.97 54.06 1v5n s LYS 29 Cb 0.14 -2.07 -0.03 0.00 -1.68 0.00 0.00 37.83 34.19 1v5n s LYS 29 CO 0.77 -0.27 -0.18 0.54 -0.76 0.00 0.00 175.35 175.45 1v5n s VAL 30 N 1.51 2.76 -1.10 3.17 0.11 -1.08 -4.91 120.40 120.85 1v5n s VAL 30 Ca 0.04 -1.15 -0.07 0.00 -2.93 0.00 0.00 61.98 57.86 1v5n s VAL 30 Cb -0.13 -2.14 0.29 0.00 -1.53 0.00 0.00 36.38 32.86 1v5n s VAL 30 CO -0.10 0.37 1.22 1.17 -3.33 0.00 0.00 175.10 174.43 1v5n n LYS 31 N 1.66 3.80 -0.75 1.54 3.00 -1.26 -0.37 118.16 125.78 1v5n n LYS 31 Ca -0.16 -4.49 -0.32 0.00 -0.00 0.00 0.00 58.31 53.34 1v5n n LYS 31 Cb 0.52 -2.54 0.16 0.00 0.00 0.00 0.00 35.03 33.17 1v5n n LYS 31 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1v5n n HIS 32 N 2.27 0.61 -0.05 5.64 -0.00 -1.26 -4.78 115.22 117.65 1v5n n HIS 32 Ca 0.25 0.38 -0.15 0.00 -0.00 0.00 0.00 57.72 58.20 1v5n n HIS 32 Cb 0.37 -1.99 -0.13 0.00 -0.00 0.00 0.00 29.99 28.25 1v5n n HIS 32 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1v5n h VAL 33 N -1.71 1.71 0.00 3.57 3.04 -1.93 0.30 116.25 121.23 1v5n h VAL 33 Ca -0.44 -2.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.04 1v5n h VAL 33 Cb 1.28 3.21 0.00 0.00 -2.01 0.00 0.00 31.29 33.76 1v5n h VAL 33 CO 0.41 0.58 0.00 -0.07 -1.01 0.00 0.00 177.57 177.48 1v5n h LEU 34 N -0.84 0.00 -2.89 3.16 3.38 -2.00 -2.29 115.31 113.83 1v5n h LEU 34 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1v5n h LEU 34 Cb 1.02 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.58 1v5n h LEU 34 CO 0.02 0.00 -0.73 1.57 0.09 0.00 0.00 178.44 179.39 1v5n n HIS 35 N -2.63 0.00 -0.40 1.13 -0.00 -1.23 -4.87 115.22 107.22 1v5n n HIS 35 Ca -0.01 -0.81 0.35 0.00 0.46 0.00 0.00 57.72 57.70 1v5n n HIS 35 Cb 0.12 -0.17 0.62 0.00 -0.12 0.00 0.00 29.99 30.43 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 0.82 0.07 -0.71 1.57 -0.00 0.22 -0.10 114.58 116.45 1v5n h GLU 36 Ca -0.11 -0.00 0.15 0.00 -0.00 0.00 0.00 59.36 59.39 1v5n h GLU 36 Cb 1.48 -0.02 -0.13 0.00 -0.00 0.00 0.00 28.75 30.08 1v5n h GLU 36 CO 0.05 0.05 -0.15 0.39 -0.00 0.00 0.00 179.01 179.35 1v5n n GLU 37 N -4.90 -0.06 -4.23 1.06 4.71 -1.26 -4.55 120.64 111.41 1v5n n GLU 37 Ca 0.37 1.10 -0.13 0.00 -0.01 0.00 0.00 57.16 58.49 1v5n n GLU 37 Cb 1.37 -1.65 -0.10 0.00 -1.01 0.00 0.00 31.44 30.04 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 -5.85 1.23 -0.35 -0.32 3.76 -0.05 -5.13 115.29 108.57 1v5n s HIS 38 Ca -0.10 -1.30 -0.13 0.00 -0.15 0.00 0.00 55.06 53.37 1v5n s HIS 38 Cb 0.19 -0.65 -0.01 0.00 1.11 0.00 0.00 32.58 33.23 1v5n s HIS 38 CO 0.55 -0.54 0.24 -1.21 -0.85 0.00 0.00 174.74 172.94 1v5n s GLU 39 N -4.11 3.35 1.11 1.40 2.02 -1.26 -4.43 118.70 116.78 1v5n s GLU 39 Ca 0.37 -0.74 -0.19 0.00 0.02 0.00 0.00 54.97 54.43 1v5n s GLU 39 Cb 0.07 -3.82 0.11 0.00 0.10 0.00 0.00 34.13 30.59 1v5n s GLU 39 CO 0.11 -0.51 -0.03 1.28 0.02 0.00 0.00 175.26 176.13 1v5n n LEU 40 N 5.10 -2.18 -3.67 1.80 7.99 0.51 -4.54 117.00 122.01 1v5n n LEU 40 Ca -0.12 -0.19 -0.29 0.00 -0.01 0.00 0.00 56.01 55.40 1v5n n LEU 40 Cb 0.49 -0.89 -0.15 0.00 -0.11 0.00 0.00 43.42 42.76 1v5n n LEU 40 CO 0.37 -3.09 -0.34 -0.70 -1.51 0.00 0.00 177.39 172.12 1v5n s GLU 41 N -3.39 0.51 -0.66 3.23 2.12 0.90 -2.62 118.70 118.79 1v5n s GLU 41 Ca 0.51 -0.72 -0.21 0.00 0.36 0.00 0.00 54.97 54.91 1v5n s GLU 41 Cb -0.09 -1.75 -0.15 0.00 0.26 0.00 0.00 34.13 32.40 1v5n s GLU 41 CO 0.60 -0.91 1.80 -0.11 -0.54 0.00 0.00 175.26 176.10 1v5n n LEU 42 N 5.03 0.20 -4.52 2.70 7.94 -0.68 -2.76 117.00 124.91 1v5n n LEU 42 Ca -0.05 0.13 -0.34 0.00 -1.11 0.00 0.00 56.01 54.64 1v5n n LEU 42 Cb 0.43 -0.62 -0.12 0.00 0.53 0.00 0.00 43.42 43.65 1v5n n LEU 42 CO 0.09 -0.48 -0.36 -0.89 -1.11 0.00 0.00 177.39 174.63 1v5n s THR 43 N 6.00 3.80 0.02 1.96 2.01 0.17 -4.88 115.64 124.71 1v5n s THR 43 Ca 0.91 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 1v5n s THR 43 Cb -0.85 -2.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 1v5n s THR 43 CO 0.33 0.53 1.47 -0.13 -0.69 0.00 0.00 174.62 176.13 1v5n s ARG 44 N -0.03 4.26 -0.05 4.92 1.81 -1.26 -1.73 118.95 126.86 1v5n s ARG 44 Ca 0.01 2.07 -0.03 0.00 -1.72 0.00 0.00 55.73 56.05 1v5n s ARG 44 Cb -0.13 -3.58 0.02 0.00 -0.45 0.00 0.00 34.95 30.81 1v5n s ARG 44 CO 0.03 -0.62 0.12 0.08 -0.68 0.00 0.00 175.30 174.23 1v5n s VAL 45 N 2.47 -0.02 0.04 3.52 1.01 -1.26 -4.93 120.40 121.23 1v5n s VAL 45 Ca 0.67 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 1v5n s VAL 45 Cb -0.34 -0.18 -0.17 0.00 0.00 0.00 0.00 36.38 35.68 1v5n s VAL 45 CO 0.28 0.03 1.51 -0.61 0.00 0.00 0.00 175.10 176.31 1v5n h GLN 46 N 6.44 -0.04 -2.51 2.72 5.75 -1.94 0.60 115.11 126.12 1v5n h GLN 46 Ca -0.32 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.10 1v5n h GLN 46 Cb 1.18 0.01 -0.21 0.00 1.07 0.00 0.00 27.48 29.53 1v5n h GLN 46 CO 0.44 0.19 -0.07 0.08 -2.65 0.00 0.00 178.83 176.81 1v5n s VAL 47 N -5.28 0.02 0.20 2.39 1.01 -1.26 -3.98 120.40 113.49 1v5n s VAL 47 Ca -0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1v5n s VAL 47 Cb 0.04 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1v5n s VAL 47 CO 0.66 -0.08 0.39 0.00 0.00 0.00 0.00 175.10 176.07 1v5n n TYR 48 N 1.79 -1.66 -3.86 5.22 4.11 -1.23 -5.01 117.16 116.53 1v5n n TYR 48 Ca -0.18 -0.94 -0.29 0.00 -0.00 0.00 0.00 57.90 56.49 1v5n n TYR 48 Cb 0.56 0.46 -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 1.10 0.52 -3.48 2.01 -1.26 -3.67 115.64 108.31 1v5n s THR 49 Ca 0.08 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 60.99 1v5n s THR 49 Cb -0.02 -1.44 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 1v5n s THR 49 CO 0.06 -0.10 1.21 0.00 -0.69 0.00 0.00 174.62 175.10 1v5n n ASP 51 N -1.00 3.64 0.04 0.00 8.00 -1.26 -3.69 116.55 122.28 1v5n n ASP 51 Ca 0.10 -3.40 0.00 0.00 0.71 0.00 0.00 54.79 52.20 1v5n n ASP 51 Cb 0.48 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1v5n n LYS 52 N -0.70 0.00 0.00 -1.24 4.81 -1.26 -4.82 118.16 114.95 1v5n n LYS 52 Ca 0.35 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.91 1v5n n LYS 52 Cb 1.16 -0.38 0.12 0.00 0.02 0.00 0.00 35.03 35.96 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 -5.56 -4.74 0.00 4.71 -1.24 -5.03 120.64 108.95 1v5n n GLU 54 Ca 0.11 0.58 -0.33 0.00 -0.01 0.00 0.00 57.16 57.51 1v5n n GLU 54 Cb 0.47 -4.86 -0.07 0.00 -1.01 0.00 0.00 31.44 25.97 1v5n n GLU 54 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1v5n s GLU 55 N -5.92 2.20 -0.16 3.49 0.41 -1.26 -4.90 118.70 112.57 1v5n s GLU 55 Ca 0.41 -2.40 0.02 0.00 -0.41 0.00 0.00 54.97 52.59 1v5n s GLU 55 Cb -0.18 -1.54 0.01 0.00 -1.78 0.00 0.00 34.13 30.64 1v5n s GLU 55 CO 0.51 -0.37 -0.21 -2.00 -0.49 0.00 0.00 175.26 172.70 1v5n s GLU 56 N -3.89 3.02 0.59 1.61 2.12 -1.26 0.31 118.70 121.19 1v5n s GLU 56 Ca 0.06 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.55 1v5n s GLU 56 Cb 0.01 -2.51 0.05 0.00 0.26 0.00 0.00 34.13 31.95 1v5n s GLU 56 CO 0.03 -0.10 0.84 0.20 -0.54 0.00 0.00 175.26 175.68 1v5n s GLY 57 N 1.03 1.80 -0.06 -1.50 0.00 -1.24 -4.92 107.32 102.44 1v5n s GLY 57 Ca -0.01 -1.35 -0.13 0.00 0.00 0.00 0.00 44.72 43.23 1v5n s GLY 57 CO -0.07 -1.01 0.31 -0.51 0.00 0.00 0.00 173.10 171.82 1v5n s THR 58 N -2.87 0.03 -1.08 0.90 -4.23 -1.26 -3.53 115.64 103.60 1v5n s THR 58 Ca 0.59 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1v5n s THR 58 Cb -0.10 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.21 1v5n s THR 58 CO 0.40 -0.15 0.00 -0.38 -0.54 0.00 0.00 174.62 173.95 1v5n n ILE 59 N 2.04 -0.27 -3.65 2.99 2.08 0.20 -4.84 119.36 117.91 1v5n n ILE 59 Ca -0.18 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.12 1v5n n ILE 59 Cb 0.57 -1.34 -0.07 0.00 -0.75 0.00 0.00 39.64 38.05 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 -2.26 -0.06 -0.30 1.39 0.23 -1.22 -4.71 118.94 112.01 1v5n s TRP 60 Ca 0.00 0.14 -0.18 0.00 -2.03 0.00 0.00 56.10 54.02 1v5n s TRP 60 Cb 0.00 0.40 0.19 0.00 0.03 0.00 0.00 33.47 34.08 1v5n s TRP 60 CO 0.00 -0.03 1.23 -1.54 0.96 0.00 0.00 176.95 177.57 1v5n s SER 61 N 0.23 -0.15 -0.70 2.95 1.04 -0.71 -4.67 113.70 111.69 1v5n s SER 61 Ca 0.04 0.18 -0.26 0.00 0.48 0.00 0.00 55.95 56.39 1v5n s SER 61 Cb -0.04 1.16 -0.01 0.00 0.10 0.00 0.00 66.02 67.23 1v5n s SER 61 CO -0.15 -0.03 1.70 -0.31 0.98 0.00 0.00 173.24 175.44 1v5n s TYR 62 N 2.31 1.88 0.09 5.02 2.02 -1.04 0.46 117.35 128.08 1v5n s TYR 62 Ca -0.02 0.48 0.03 0.00 -0.37 0.00 0.00 57.07 57.19 1v5n s TYR 62 Cb -0.03 -4.25 -0.04 0.00 -0.40 0.00 0.00 41.96 37.24 1v5n s TYR 62 CO -0.14 -2.17 0.13 -1.58 -1.57 0.00 0.00 175.55 170.21 1v5n s HIS 63 N 8.14 3.28 -0.19 2.71 5.65 -1.11 -2.49 115.29 131.28 1v5n s HIS 63 Ca 0.58 0.11 -0.03 0.00 0.25 0.00 0.00 55.06 55.97 1v5n s HIS 63 Cb -0.10 -1.64 -0.01 0.00 -1.18 0.00 0.00 32.58 29.65 1v5n s HIS 63 CO 0.15 0.54 -0.07 0.00 -0.65 0.00 0.00 174.74 174.71 1v5n n ASP 65 N 4.29 2.45 0.02 0.00 5.68 -1.26 -0.51 116.55 127.22 1v5n n ASP 65 Ca -0.18 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1v5n n ASP 65 Cb 0.51 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1v5n n ASP 65 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1v5n n GLU 66 N 0.50 0.00 -0.00 0.11 4.07 -1.26 -4.91 120.64 119.15 1v5n n GLU 66 Ca 0.00 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.16 1v5n n GLU 66 Cb 0.42 -0.13 -0.09 0.00 -0.06 0.00 0.00 31.44 31.58 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 -1.75 -2.12 -4.61 0.00 9.92 0.33 -4.98 116.55 113.33 1v5n n ASP 68 Ca -0.01 -0.27 -0.37 0.00 -0.53 0.00 0.00 54.79 53.60 1v5n n ASP 68 Cb 0.29 -2.54 -0.10 0.00 -0.64 0.00 0.00 41.12 38.13 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 -3.16 3.25 0.09 1.24 5.36 -1.26 -4.77 117.98 118.73 1v5n s PHE 69 Ca 0.01 0.12 0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1v5n s PHE 69 Cb -0.00 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 1v5n s PHE 69 CO 0.32 -0.06 0.15 -0.51 -1.46 0.00 0.00 175.22 173.66 1v5n s ASP 70 N 1.36 5.87 0.37 6.13 1.11 -1.23 -2.68 116.67 127.60 1v5n s ASP 70 Ca 0.07 0.08 -0.10 0.00 0.18 0.00 0.00 52.55 52.78 1v5n s ASP 70 Cb -0.15 -1.67 0.03 0.00 1.07 0.00 0.00 42.92 42.20 1v5n s ASP 70 CO 0.07 0.15 0.65 -0.76 1.18 0.00 0.00 175.17 176.46 1v5n s LEU 71 N -2.58 0.45 0.24 1.23 1.43 -1.04 -4.25 118.68 114.16 1v5n s LEU 71 Ca 0.32 -1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1v5n s LEU 71 Cb -0.12 2.24 -0.04 0.00 0.03 0.00 0.00 46.19 48.30 1v5n s LEU 71 CO 0.25 -1.52 0.45 -1.00 0.23 0.00 0.00 176.35 174.76 1v5n s HIS 72 N -2.65 3.48 0.20 0.29 3.76 -1.26 -2.49 115.29 116.62 1v5n s HIS 72 Ca 0.22 0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 55.42 1v5n s HIS 72 Cb -0.03 -1.91 0.21 0.00 1.11 0.00 0.00 32.58 31.96 1v5n s HIS 72 CO 0.15 0.30 1.78 0.00 -0.85 0.00 0.00 174.74 176.12 1v5n h ALA 73 N 1.71 0.77 -0.04 -1.40 0.00 -1.98 0.72 119.26 119.03 1v5n h ALA 73 Ca -0.48 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 1v5n h ALA 73 Cb 1.20 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1v5n h ALA 73 CO 0.66 -0.08 -0.94 1.57 0.00 0.00 0.00 179.25 180.47 1v5n h LYS 74 N 0.53 0.65 -0.52 0.00 2.10 -1.98 -2.55 116.57 114.81 1v5n h LYS 74 Ca 0.27 -0.64 0.02 0.00 -2.00 0.00 0.00 60.65 58.29 1v5n h LYS 74 Cb 0.22 0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 31.69 1v5n h LYS 74 CO -0.21 1.25 0.32 0.00 -2.00 0.00 0.00 179.45 178.81 1v5n h ALA 76 N 1.22 0.48 0.63 0.00 0.00 -0.92 -3.30 119.26 117.36 1v5n h ALA 76 Ca 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1v5n h ALA 76 Cb -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1v5n h ALA 76 CO -0.07 0.37 -0.30 -0.07 0.00 0.00 0.00 179.25 179.17 1v5n h LEU 77 N 0.48 -0.72-10.35 0.00 3.38 -1.15 -3.44 115.31 103.51 1v5n h LEU 77 Ca 0.08 -0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.52 1v5n h LEU 77 Cb 0.66 0.19 0.10 0.00 0.09 0.00 0.00 40.66 41.70 1v5n h LEU 77 CO 0.04 -0.38 0.36 0.20 0.09 0.00 0.00 178.44 178.75 1v5n s ASN 78 N -4.56 5.09 0.41 -0.43 0.01 0.92 -5.07 114.94 111.31 1v5n s ASN 78 Ca -0.15 1.56 0.06 0.00 -0.71 0.00 0.00 52.86 53.61 1v5n s ASN 78 Cb 0.02 -2.39 0.01 0.00 0.41 0.00 0.00 41.25 39.30 1v5n s ASN 78 CO 0.52 -1.62 0.56 -1.61 -1.51 0.00 0.00 177.10 173.44 1v5n s GLU 79 N -5.06 2.91 -0.33 -0.60 2.02 -1.26 -4.76 118.70 111.61 1v5n s GLU 79 Ca 0.59 -1.07 -0.06 0.00 0.02 0.00 0.00 54.97 54.45 1v5n s GLU 79 Cb -0.14 -2.74 0.04 0.00 0.10 0.00 0.00 34.13 31.39 1v5n s GLU 79 CO 0.55 -0.20 0.09 0.34 0.02 0.00 0.00 175.26 176.06 1v5n s ASP 80 N -4.29 5.27 -0.19 -0.19 2.15 -1.26 -5.08 116.67 113.08 1v5n s ASP 80 Ca 0.51 -1.14 -0.25 0.00 0.43 0.00 0.00 52.55 52.09 1v5n s ASP 80 Cb -0.10 -1.85 -0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1v5n s ASP 80 CO 0.33 -0.32 0.85 -0.89 -0.17 0.00 0.00 175.17 174.98 1v5n s THR 81 N 1.39 4.85 0.65 1.71 2.01 -1.26 -5.04 115.64 119.96 1v5n s THR 81 Ca -0.02 1.66 -0.13 0.00 0.31 0.00 0.00 61.69 63.50 1v5n s THR 81 Cb -0.19 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 1v5n s THR 81 CO 0.02 -0.01 1.07 -0.54 -0.69 0.00 0.00 174.62 174.47 1v5n s LYS 82 N 2.39 3.03 -1.61 4.92 3.01 -1.26 -3.68 119.74 126.53 1v5n s LYS 82 Ca 0.38 1.13 -0.07 0.00 -1.01 0.00 0.00 55.97 56.40 1v5n s LYS 82 Cb -0.16 -2.00 0.07 0.00 -1.01 0.00 0.00 37.83 34.74 1v5n s LYS 82 CO 0.11 -1.04 0.19 -1.91 0.51 0.00 0.00 175.35 173.20 1v5n n GLU 83 N -2.60 -0.87 -0.08 1.68 4.07 -1.26 -4.84 120.64 116.74 1v5n n GLU 83 Ca 0.08 0.10 -0.09 0.00 -0.06 0.00 0.00 57.16 57.20 1v5n n GLU 83 Cb 0.53 -3.83 -0.04 0.00 -0.06 0.00 0.00 31.44 28.04 1v5n n GLU 83 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1v5n h SER 84 N -1.43 0.00 -4.37 4.31 0.87 -2.01 -3.49 113.55 107.43 1v5n h SER 84 Ca -0.62 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 59.75 1v5n h SER 84 Cb 1.36 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 63.11 1v5n h SER 84 CO 0.75 0.94 0.24 -0.83 -0.53 0.00 0.00 176.83 177.40 1v5n s GLY 85 N -4.36 -0.49 -0.02 5.77 0.00 -1.26 -5.07 107.32 101.89 1v5n s GLY 85 Ca -0.18 1.78 -0.26 0.00 0.00 0.00 0.00 44.72 46.07 1v5n s GLY 85 CO 0.32 1.33 1.26 -0.56 0.00 0.00 0.00 173.10 175.45 1v5n h PRO 86 N 3.77 -0.01 -1.98 2.90 0.13 -2.03 -3.49 132.00 131.29 1v5n h PRO 86 Ca -0.27 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.12 1v5n h PRO 86 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1v5n h PRO 86 CO 0.23 0.47 0.70 -1.12 -0.23 0.00 0.00 178.00 178.06 1v5n s SER 87 N -5.68 -0.07 -0.12 1.44 0.01 -1.26 -5.07 113.70 102.96 1v5n s SER 87 Ca -0.16 -0.32 -0.22 0.00 1.31 0.00 0.00 55.95 56.56 1v5n s SER 87 Cb 0.02 0.31 -0.20 0.00 0.21 0.00 0.00 66.02 66.36 1v5n s SER 87 CO 0.67 -0.59 0.65 0.77 0.41 0.00 0.00 173.24 175.15 1v5n h SER 88 N 2.00 -0.02 -0.01 2.44 4.64 -2.05 -3.55 113.55 117.00 1v5n h SER 88 Ca -0.27 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 1v5n h SER 88 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1v5n h SER 88 CO 0.29 0.81 0.00 0.61 -0.87 0.00 0.00 176.83 177.68