#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zvn n GLY 1 N 0.00 -0.08 3.68 5.00 0.00 -1.26 -4.94 105.19 107.59 1zvn n GLY 1 Ca 0.00 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1zvn n GLY 1 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1zvn n TRP 2 N 0.05 2.18 -3.77 1.61 7.02 -1.26 -4.97 117.44 118.30 1zvn n TRP 2 Ca 0.19 0.52 -0.37 0.00 -1.02 0.00 0.00 57.50 56.81 1zvn n TRP 2 Cb 0.31 -2.42 -0.13 0.00 -2.42 0.00 0.00 31.31 26.66 1zvn n TRP 2 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1zvn s VAL 3 N -0.71 3.95 -0.03 -0.99 1.01 -1.26 -4.90 120.40 117.47 1zvn s VAL 3 Ca 0.60 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1zvn s VAL 3 Cb -0.60 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1zvn s VAL 3 CO 0.57 0.09 0.04 0.79 0.00 0.00 0.00 175.10 176.60 1zvn n TRP 4 N 4.86 0.00 -1.36 5.22 7.02 -1.26 -4.85 117.44 127.07 1zvn n TRP 4 Ca -0.15 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 55.97 1zvn n TRP 4 Cb 0.48 -0.02 -0.04 0.00 -2.42 0.00 0.00 31.31 29.31 1zvn n TRP 4 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1zvn n ASN 5 N -1.38 8.37 -3.79 -0.99 6.94 -1.26 -4.79 115.26 118.36 1zvn n ASN 5 Ca -0.00 -2.63 -0.13 0.00 -0.02 0.00 0.00 54.58 51.80 1zvn n ASN 5 Cb 0.03 -1.52 -0.09 0.00 -2.36 0.00 0.00 39.78 35.84 1zvn n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1zvn s GLN 6 N 1.67 0.61 0.24 -3.83 -2.07 -1.26 -1.73 119.66 113.29 1zvn s GLN 6 Ca 0.68 -0.24 0.12 0.00 -1.82 0.00 0.00 55.36 54.10 1zvn s GLN 6 Cb 0.20 0.27 -0.05 0.00 -1.09 0.00 0.00 33.01 32.33 1zvn s GLN 6 CO -0.06 -0.16 -0.21 -0.06 -1.32 0.00 0.00 175.29 173.47 1zvn s PHE 7 N -1.31 2.27 -0.06 9.60 0.40 0.19 -4.94 117.98 124.13 1zvn s PHE 7 Ca -0.14 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 1zvn s PHE 7 Cb -0.06 -1.04 -0.01 0.00 0.51 0.00 0.00 43.02 42.42 1zvn s PHE 7 CO 0.03 0.62 -0.23 -0.06 0.70 0.00 0.00 175.22 176.28 1zvn s PHE 8 N -2.19 2.28 -0.08 0.36 0.40 -1.26 0.10 117.98 117.59 1zvn s PHE 8 Ca 0.26 -0.69 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1zvn s PHE 8 Cb -0.06 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 41.99 1zvn s PHE 8 CO 0.13 -0.22 -0.07 0.08 0.70 0.00 0.00 175.22 175.84 1zvn s VAL 9 N -0.08 0.88 -0.32 -0.44 1.01 0.10 -4.94 120.40 116.61 1zvn s VAL 9 Ca -0.05 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1zvn s VAL 9 Cb -0.14 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.37 1zvn s VAL 9 CO 0.04 0.33 1.06 -0.76 0.00 0.00 0.00 175.10 175.76 1zvn s LEU 10 N 1.35 3.93 0.52 3.92 1.43 -1.26 0.07 118.68 128.64 1zvn s LEU 10 Ca -0.03 1.01 0.18 0.00 -1.03 0.00 0.00 54.13 54.26 1zvn s LEU 10 Cb -0.14 -3.52 1.30 0.00 0.03 0.00 0.00 46.19 43.87 1zvn s LEU 10 CO -0.03 -0.88 2.13 1.05 0.23 0.00 0.00 176.35 178.85 1zvn h GLU 11 N 8.13 0.00 -0.82 1.70 4.11 -1.56 -1.97 114.58 124.17 1zvn h GLU 11 Ca -0.21 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.32 1zvn h GLU 11 Cb 1.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 1zvn h GLU 11 CO 1.03 0.04 0.53 1.49 0.07 0.00 0.00 179.01 182.17 1zvn h GLU 12 N 0.00 0.74 -0.01 1.06 4.81 -1.87 -2.52 114.58 116.79 1zvn h GLU 12 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1zvn h GLU 12 Cb 0.07 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1zvn h GLU 12 CO 0.00 0.49 -0.28 0.66 -0.73 0.00 0.00 179.01 179.15 1zvn n TYR 13 N -4.51 0.00 -2.22 0.92 4.01 -0.74 -4.93 117.16 109.68 1zvn n TYR 13 Ca 0.14 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.62 1zvn n TYR 13 Cb 0.33 -0.10 0.09 0.00 -0.31 0.00 0.00 39.34 39.36 1zvn n TYR 13 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1zvn s THR 14 N -2.47 2.22 -5.00 -0.72 -4.23 -0.95 -4.86 115.64 99.62 1zvn s THR 14 Ca 0.24 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1zvn s THR 14 Cb 0.19 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1zvn s THR 14 CO 0.52 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1zvn n GLY 15 N -3.02 0.39 0.31 3.99 0.00 -1.11 -4.76 105.19 100.99 1zvn n GLY 15 Ca 0.10 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 1zvn n GLY 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1zvn h THR 16 N 0.00 0.31 -2.95 2.61 2.02 -1.84 -3.20 112.91 109.86 1zvn h THR 16 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.65 1zvn h THR 16 Cb 0.00 0.31 0.04 0.00 -1.74 0.00 0.00 68.15 66.76 1zvn h THR 16 CO 0.00 0.00 0.80 -0.62 0.37 0.00 0.00 175.52 176.07 1zvn s ASP 17 N -5.00 6.70 -0.03 4.18 -1.08 -1.26 -4.76 116.67 115.43 1zvn s ASP 17 Ca -0.15 2.49 -0.35 0.00 -0.52 0.00 0.00 52.55 54.02 1zvn s ASP 17 Cb 0.12 -2.59 -0.13 0.00 -1.46 0.00 0.00 42.92 38.85 1zvn s ASP 17 CO 0.67 -0.73 1.73 -2.65 0.52 0.00 0.00 175.17 174.71 1zvn n PRO 18 N 3.82 1.95 -3.68 4.34 -0.02 -1.26 -4.78 135.00 135.36 1zvn n PRO 18 Ca 0.12 0.71 -0.38 0.00 -2.02 0.00 0.00 63.50 61.93 1zvn n PRO 18 Cb 0.40 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 1zvn n PRO 18 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1zvn s LEU 19 N 2.79 3.93 0.18 2.45 2.96 -0.14 -4.92 118.68 125.93 1zvn s LEU 19 Ca 0.89 -0.46 -0.33 0.00 -0.22 0.00 0.00 54.13 54.01 1zvn s LEU 19 Cb -0.76 -1.98 -0.14 0.00 0.50 0.00 0.00 46.19 43.81 1zvn s LEU 19 CO 0.49 -0.15 1.54 0.00 -1.32 0.00 0.00 176.35 176.91 1zvn n TYR 20 N 4.96 2.24 -0.07 5.38 9.36 -1.26 -0.78 117.16 136.99 1zvn n TYR 20 Ca -0.14 0.31 -0.09 0.00 3.32 0.00 0.00 57.90 61.29 1zvn n TYR 20 Cb 0.50 -2.52 -0.06 0.00 -0.63 0.00 0.00 39.34 36.62 1zvn n TYR 20 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1zvn n VAL 21 N 3.09 0.77 -3.97 2.97 0.31 0.64 -4.87 118.33 117.28 1zvn n VAL 21 Ca 0.16 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1zvn n VAL 21 Cb 0.29 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1zvn n VAL 21 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1zvn n GLY 22 N 2.84 -1.17 3.12 2.92 0.00 -1.19 -4.61 105.19 107.09 1zvn n GLY 22 Ca -0.24 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 1zvn n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zvn s LYS 23 N -1.93 0.44 0.26 1.61 -2.85 -1.26 0.23 119.74 116.23 1zvn s LYS 23 Ca 0.00 -0.18 -0.25 0.00 -1.00 0.00 0.00 55.97 54.54 1zvn s LYS 23 Cb 0.00 0.19 -0.09 0.00 -2.06 0.00 0.00 37.83 35.87 1zvn s LYS 23 CO 0.00 -0.10 0.85 -0.51 0.10 0.00 0.00 175.35 175.69 1zvn s LEU 24 N -0.96 4.42 -0.28 2.77 1.43 0.23 -4.94 118.68 121.35 1zvn s LEU 24 Ca -0.10 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.58 1zvn s LEU 24 Cb -0.06 -3.73 0.11 0.00 0.03 0.00 0.00 46.19 42.54 1zvn s LEU 24 CO 0.02 0.03 0.63 -2.28 0.23 0.00 0.00 176.35 174.98 1zvn s HIS 25 N -1.46 -1.17 -0.13 0.29 2.46 -1.26 -4.37 115.29 109.65 1zvn s HIS 25 Ca 0.45 2.14 -0.10 0.00 0.47 0.00 0.00 55.06 58.02 1zvn s HIS 25 Cb -0.20 0.68 -0.05 0.00 -0.13 0.00 0.00 32.58 32.89 1zvn s HIS 25 CO 0.24 -0.59 0.20 0.45 -2.47 0.00 0.00 174.74 172.57 1zvn s SER 26 N 2.36 6.41 0.00 9.88 0.15 -1.26 -4.99 113.70 126.26 1zvn s SER 26 Ca -0.07 0.49 0.02 0.00 0.70 0.00 0.00 55.95 57.09 1zvn s SER 26 Cb -0.09 -2.12 0.13 0.00 -1.71 0.00 0.00 66.02 62.22 1zvn s SER 26 CO -0.18 0.29 0.76 -0.90 1.20 0.00 0.00 173.24 174.41 1zvn n ASP 27 N 2.59 0.00 -0.48 5.45 5.68 -1.26 -1.48 116.55 127.04 1zvn n ASP 27 Ca -0.17 0.10 0.13 0.00 -0.50 0.00 0.00 54.79 54.35 1zvn n ASP 27 Cb 0.53 -0.15 0.29 0.00 -1.14 0.00 0.00 41.12 40.65 1zvn n ASP 27 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1zvn n MET 28 N -1.15 1.40 -2.40 0.11 2.81 -1.26 -4.84 117.12 111.78 1zvn n MET 28 Ca 0.01 -0.97 -0.43 0.00 -1.81 0.00 0.00 57.70 54.50 1zvn n MET 28 Cb 0.01 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 1zvn n MET 28 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1zvn s ASP 29 N -2.27 6.41 0.00 7.83 -1.08 -0.55 -4.86 116.67 122.14 1zvn s ASP 29 Ca 0.27 0.77 0.26 0.00 -0.52 0.00 0.00 52.55 53.34 1zvn s ASP 29 Cb 0.20 -2.54 1.28 0.00 -1.46 0.00 0.00 42.92 40.39 1zvn s ASP 29 CO 0.44 -1.39 1.89 -2.11 0.52 0.00 0.00 175.17 174.52 1zvn n ARG 30 N 8.00 0.28 -0.25 4.34 -4.01 -1.26 -4.92 116.66 118.84 1zvn n ARG 30 Ca 0.16 0.04 0.00 0.00 -1.04 0.00 0.00 57.85 57.01 1zvn n ARG 30 Cb 0.48 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.40 1zvn n ARG 30 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1zvn n GLY 31 N 1.03 0.63 1.48 2.89 0.00 -1.26 -4.98 105.19 104.98 1zvn n GLY 31 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1zvn n GLY 31 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1zvn n ASP 32 N 0.00 4.37 -0.33 1.61 5.68 -1.26 -4.93 116.55 121.68 1zvn n ASP 32 Ca 0.00 -2.31 -0.04 0.00 -0.50 0.00 0.00 54.79 51.94 1zvn n ASP 32 Cb 0.00 -0.54 -0.02 0.00 -1.14 0.00 0.00 41.12 39.42 1zvn n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1zvn n GLY 33 N 1.26 0.65 0.00 6.12 0.00 -1.26 -4.86 105.19 107.10 1zvn n GLY 33 Ca 0.24 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1zvn n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1zvn n SER 34 N -0.08 0.05 -4.82 1.61 3.41 -1.26 -4.69 113.62 107.85 1zvn n SER 34 Ca -0.04 0.37 -0.38 0.00 -0.26 0.00 0.00 58.87 58.56 1zvn n SER 34 Cb 0.27 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 1zvn n SER 34 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zvn s ILE 35 N -2.96 5.09 -0.22 -1.33 1.01 -1.26 -0.64 121.20 120.88 1zvn s ILE 35 Ca 0.15 0.80 -0.02 0.00 0.00 0.00 0.00 60.65 61.58 1zvn s ILE 35 Cb 0.19 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1zvn s ILE 35 CO 0.54 0.54 -0.09 -0.75 0.00 0.00 0.00 174.94 175.18 1zvn s LYS 36 N -0.78 3.03 -0.06 2.79 2.20 0.10 -4.62 119.74 122.41 1zvn s LYS 36 Ca 0.23 -0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 54.79 1zvn s LYS 36 Cb -0.16 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.24 1zvn s LYS 36 CO 0.12 -0.29 0.63 0.71 -0.36 0.00 0.00 175.35 176.16 1zvn s TYR 37 N 1.36 3.59 -0.05 4.03 1.51 0.55 -1.28 117.35 127.06 1zvn s TYR 37 Ca 0.03 1.17 0.04 0.00 -1.01 0.00 0.00 57.07 57.29 1zvn s TYR 37 Cb -0.15 -2.70 0.00 0.00 -0.11 0.00 0.00 41.96 39.00 1zvn s TYR 37 CO -0.06 0.17 -0.16 0.42 -1.11 0.00 0.00 175.55 174.81 1zvn s ILE 38 N 0.50 1.34 -0.07 2.71 1.01 -0.76 -4.32 121.20 121.62 1zvn s ILE 38 Ca 0.33 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 1zvn s ILE 38 Cb -0.17 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1zvn s ILE 38 CO 0.16 0.39 0.04 -0.22 0.00 0.00 0.00 174.94 175.32 1zvn s LEU 39 N 0.18 3.78 0.17 2.97 2.96 -1.26 -1.61 118.68 125.87 1zvn s LEU 39 Ca -0.06 0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1zvn s LEU 39 Cb -0.12 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1zvn s LEU 39 CO 0.03 0.35 0.20 -0.55 -1.32 0.00 0.00 176.35 175.06 1zvn s SER 40 N -1.17 0.13 0.00 3.68 0.15 -0.49 -4.83 113.70 111.17 1zvn s SER 40 Ca 0.16 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.73 1zvn s SER 40 Cb -0.12 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1zvn s SER 40 CO 0.06 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.25 1zvn n GLY 41 N -0.20 -0.84 3.59 9.45 0.00 -1.26 -0.85 105.19 115.07 1zvn n GLY 41 Ca -0.04 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1zvn n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zvn s GLU 42 N 0.00 3.06 -0.86 1.61 2.02 -0.54 -2.40 118.70 121.59 1zvn s GLU 42 Ca 0.00 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.64 1zvn s GLU 42 Cb 0.00 -4.33 0.00 0.00 0.10 0.00 0.00 34.13 29.90 1zvn s GLU 42 CO 0.00 -2.19 0.00 0.41 0.02 0.00 0.00 175.26 173.50 1zvn n GLY 43 N 5.66 0.98 3.70 -1.39 0.00 -1.26 -4.70 105.19 108.19 1zvn n GLY 43 Ca 0.27 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1zvn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zvn s ALA 44 N -2.22 3.74 0.00 4.61 0.00 -1.01 -0.20 121.76 126.69 1zvn s ALA 44 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1zvn s ALA 44 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1zvn s ALA 44 CO 0.00 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1zvn n GLY 45 N 3.93 2.59 0.99 0.00 0.00 0.26 -4.74 105.19 108.22 1zvn n GLY 45 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1zvn n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1zvn n ILE 46 N -2.00 0.45 -0.02 -0.61 2.08 -0.91 -4.80 119.36 113.55 1zvn n ILE 46 Ca 0.00 0.13 -0.21 0.00 0.56 0.00 0.00 62.75 63.23 1zvn n ILE 46 Cb 0.00 -1.55 -0.14 0.00 -0.75 0.00 0.00 39.64 37.21 1zvn n ILE 46 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1zvn n VAL 47 N -3.21 1.74 -4.87 1.39 0.31 0.72 -4.67 118.33 109.74 1zvn n VAL 47 Ca -0.01 -0.65 -0.27 0.00 -0.01 0.00 0.00 64.34 63.40 1zvn n VAL 47 Cb 0.34 -1.67 -0.16 0.00 -0.91 0.00 0.00 33.84 31.44 1zvn n VAL 47 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1zvn s PHE 48 N -2.55 1.82 0.27 3.52 0.40 -0.80 -0.93 117.98 119.71 1zvn s PHE 48 Ca -0.24 -0.59 0.07 0.00 -0.60 0.00 0.00 56.93 55.58 1zvn s PHE 48 Cb 0.07 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 1zvn s PHE 48 CO 0.74 -0.22 0.20 0.95 0.70 0.00 0.00 175.22 177.59 1zvn s THR 49 N 0.18 4.17 0.01 0.64 -4.23 0.07 0.92 115.64 117.40 1zvn s THR 49 Ca -0.08 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1zvn s THR 49 Cb -0.13 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1zvn s THR 49 CO 0.03 -0.32 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.25 1zvn s ILE 50 N -2.19 0.28 -0.24 2.99 2.07 -1.26 -1.97 121.20 120.89 1zvn s ILE 50 Ca 0.34 -0.45 -0.18 0.00 -1.41 0.00 0.00 60.65 58.95 1zvn s ILE 50 Cb -0.07 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.19 1zvn s ILE 50 CO 0.25 -0.12 0.53 -0.62 -1.91 0.00 0.00 174.94 173.07 1zvn s ASP 51 N -0.61 6.50 0.00 4.50 -1.08 -0.45 -4.95 116.67 120.58 1zvn s ASP 51 Ca -0.04 0.60 0.23 0.00 -0.52 0.00 0.00 52.55 52.83 1zvn s ASP 51 Cb -0.04 -2.29 1.17 0.00 -1.46 0.00 0.00 42.92 40.29 1zvn s ASP 51 CO -0.00 -0.26 1.76 -0.90 0.52 0.00 0.00 175.17 176.28 1zvn n ASP 52 N 5.31 0.00 -0.14 -0.34 5.68 -1.26 -0.41 116.55 125.40 1zvn n ASP 52 Ca -0.04 -0.06 -0.28 0.00 -0.50 0.00 0.00 54.79 53.91 1zvn n ASP 52 Cb 0.50 -0.28 -0.10 0.00 -1.14 0.00 0.00 41.12 40.10 1zvn n ASP 52 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1zvn n THR 53 N -1.28 1.53 0.14 2.12 -1.04 -1.26 -0.33 114.28 114.16 1zvn n THR 53 Ca 0.11 -0.34 0.10 0.00 -2.04 0.00 0.00 64.05 61.88 1zvn n THR 53 Cb 0.18 -1.91 0.06 0.00 -1.82 0.00 0.00 70.33 66.83 1zvn n THR 53 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1zvn h THR 54 N -1.00 0.12 0.00 12.58 1.35 -1.91 -3.47 112.91 120.59 1zvn h THR 54 Ca -0.65 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 1zvn h THR 54 Cb 1.57 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1zvn h THR 54 CO -0.40 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.55 1zvn n GLY 55 N 1.17 0.81 3.76 5.82 0.00 0.46 -4.70 105.19 112.51 1zvn n GLY 55 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1zvn n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zvn s ASP 56 N -2.64 6.67 -0.12 1.61 1.01 -1.25 0.78 116.67 122.73 1zvn s ASP 56 Ca 0.00 2.70 0.01 0.00 0.71 0.00 0.00 52.55 55.97 1zvn s ASP 56 Cb 0.00 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1zvn s ASP 56 CO 0.00 -0.65 -0.16 -0.63 0.21 0.00 0.00 175.17 173.94 1zvn s ILE 57 N -0.52 2.80 0.04 0.77 1.01 0.13 -1.34 121.20 124.09 1zvn s ILE 57 Ca 0.55 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 60.53 1zvn s ILE 57 Cb -0.41 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1zvn s ILE 57 CO 0.49 0.53 -0.23 -1.00 0.00 0.00 0.00 174.94 174.73 1zvn s HIS 58 N 0.33 2.06 -0.07 3.97 3.76 -0.83 -0.26 115.29 124.24 1zvn s HIS 58 Ca -0.13 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.22 1zvn s HIS 58 Cb -0.16 -1.24 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 1zvn s HIS 58 CO 0.06 0.09 0.47 0.00 -0.85 0.00 0.00 174.74 174.51 1zvn s ALA 59 N -0.76 3.54 -0.02 -1.40 0.00 0.04 -0.75 121.76 122.40 1zvn s ALA 59 Ca 0.09 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1zvn s ALA 59 Cb -0.09 -2.58 0.05 0.00 0.00 0.00 0.00 23.12 20.50 1zvn s ALA 59 CO 0.01 0.15 0.95 0.44 0.00 0.00 0.00 175.76 177.32 1zvn n ILE 60 N 3.04 0.96 -4.43 0.00 -5.35 -0.10 -0.97 119.36 112.52 1zvn n ILE 60 Ca -0.09 -1.03 -0.22 0.00 -0.27 0.00 0.00 62.75 61.14 1zvn n ILE 60 Cb 0.52 0.45 -0.10 0.00 -1.74 0.00 0.00 39.64 38.76 1zvn n ILE 60 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1zvn s GLN 61 N -1.14 1.55 -0.04 6.28 -0.21 -1.21 -4.47 119.66 120.42 1zvn s GLN 61 Ca 0.06 -1.75 -0.30 0.00 0.02 0.00 0.00 55.36 53.39 1zvn s GLN 61 Cb 0.05 -1.33 -0.03 0.00 1.00 0.00 0.00 33.01 32.70 1zvn s GLN 61 CO 0.01 0.15 1.09 0.50 -2.12 0.00 0.00 175.29 174.91 1zvn s ARG 62 N -3.65 4.44 0.30 2.91 6.06 -1.25 -2.76 118.95 124.99 1zvn s ARG 62 Ca 0.28 1.54 0.09 0.00 -2.50 0.00 0.00 55.73 55.14 1zvn s ARG 62 Cb 0.01 -3.50 -0.04 0.00 0.06 0.00 0.00 34.95 31.48 1zvn s ARG 62 CO 0.12 -0.28 0.10 -0.51 -2.50 0.00 0.00 175.30 172.22 1zvn s LEU 63 N 1.68 3.34 -0.22 -0.88 1.43 -1.26 -4.87 118.68 117.90 1zvn s LEU 63 Ca 0.53 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1zvn s LEU 63 Cb -0.23 -1.84 0.09 0.00 0.03 0.00 0.00 46.19 44.24 1zvn s LEU 63 CO 0.23 -0.14 0.48 -0.62 0.23 0.00 0.00 176.35 176.53 1zvn s ASP 64 N -3.78 -0.53 0.34 2.29 2.15 -1.26 -4.83 116.67 111.05 1zvn s ASP 64 Ca 0.35 1.13 0.03 0.00 0.43 0.00 0.00 52.55 54.48 1zvn s ASP 64 Cb -0.05 1.42 0.64 0.00 -0.30 0.00 0.00 42.92 44.62 1zvn s ASP 64 CO 0.22 -0.22 1.97 -0.09 -0.17 0.00 0.00 175.17 176.88 1zvn h ARG 65 N 7.84 0.85 -0.35 4.34 2.43 -1.85 -0.32 114.38 127.32 1zvn h ARG 65 Ca -0.21 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.78 1zvn h ARG 65 Cb 1.13 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1zvn h ARG 65 CO 0.15 0.57 -0.26 0.93 -1.51 0.00 0.00 179.97 179.85 1zvn h GLU 66 N 0.88 0.80 0.22 0.20 5.08 -1.96 -2.91 114.58 116.89 1zvn h GLU 66 Ca 0.30 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1zvn h GLU 66 Cb 0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1zvn h GLU 66 CO -0.09 1.01 -0.10 0.93 -1.00 0.00 0.00 179.01 179.76 1zvn h GLU 67 N 0.58 -0.28 -2.14 2.33 5.08 -1.96 -3.45 114.58 114.74 1zvn h GLU 67 Ca 0.07 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1zvn h GLU 67 Cb 0.83 0.06 -0.28 0.00 0.50 0.00 0.00 28.75 29.86 1zvn h GLU 67 CO 0.07 -0.09 -0.42 0.50 -1.00 0.00 0.00 179.01 178.07 1zvn s ARG 68 N -5.59 0.34 0.10 2.33 3.52 -0.14 -5.04 118.95 114.47 1zvn s ARG 68 Ca -0.15 0.79 0.24 0.00 -0.13 0.00 0.00 55.73 56.48 1zvn s ARG 68 Cb 0.04 -0.06 0.34 0.00 -1.56 0.00 0.00 34.95 33.71 1zvn s ARG 68 CO 0.63 -0.46 1.31 -1.13 -0.81 0.00 0.00 175.30 174.83 1zvn n SER 69 N 5.38 0.67 -3.58 -2.12 3.41 -1.11 -3.95 113.62 112.32 1zvn n SER 69 Ca -0.06 0.06 -0.07 0.00 -0.26 0.00 0.00 58.87 58.55 1zvn n SER 69 Cb 0.50 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1zvn n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zvn s GLN 70 N -3.15 0.95 -0.06 4.33 -2.07 -1.26 -1.24 119.66 117.15 1zvn s GLN 70 Ca 0.06 -0.41 0.02 0.00 -1.82 0.00 0.00 55.36 53.21 1zvn s GLN 70 Cb 0.14 0.39 0.02 0.00 -1.09 0.00 0.00 33.01 32.47 1zvn s GLN 70 CO 0.72 -0.42 -0.10 0.71 -1.32 0.00 0.00 175.29 174.89 1zvn s TYR 71 N -3.19 1.22 -0.30 9.60 1.51 0.01 -4.98 117.35 121.22 1zvn s TYR 71 Ca 0.07 -0.43 -0.16 0.00 -1.01 0.00 0.00 57.07 55.54 1zvn s TYR 71 Cb -0.01 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1zvn s TYR 71 CO -0.06 -0.25 0.42 0.99 -1.11 0.00 0.00 175.55 175.54 1zvn s THR 72 N 0.77 5.12 0.48 -0.71 2.01 -1.26 -0.98 115.64 121.07 1zvn s THR 72 Ca -0.13 0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.34 1zvn s THR 72 Cb -0.15 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1zvn s THR 72 CO 0.02 0.01 0.06 -0.76 -0.69 0.00 0.00 174.62 173.27 1zvn s LEU 73 N 2.16 2.54 -0.02 4.42 1.02 0.12 -1.46 118.68 127.45 1zvn s LEU 73 Ca 0.16 -1.50 0.02 0.00 0.02 0.00 0.00 54.13 52.83 1zvn s LEU 73 Cb -0.16 -0.88 0.00 0.00 0.02 0.00 0.00 46.19 45.17 1zvn s LEU 73 CO 0.11 -0.77 -0.09 -0.13 0.02 0.00 0.00 176.35 175.50 1zvn s ARG 74 N -3.89 0.85 -0.11 1.70 0.52 -0.03 -0.93 118.95 117.06 1zvn s ARG 74 Ca 0.18 -0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 55.07 1zvn s ARG 74 Cb 0.03 -0.81 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 1zvn s ARG 74 CO 0.10 0.13 -0.02 0.00 0.02 0.00 0.00 175.30 175.53 1zvn s ALA 75 N 0.07 3.15 0.09 2.13 0.00 0.11 -1.40 121.76 125.91 1zvn s ALA 75 Ca -0.01 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.19 1zvn s ALA 75 Cb -0.07 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 1zvn s ALA 75 CO 0.00 0.43 -0.16 -0.65 0.00 0.00 0.00 175.76 175.38 1zvn s GLN 76 N -0.35 0.95 -0.22 0.00 -0.21 -0.63 -1.02 119.66 118.17 1zvn s GLN 76 Ca 0.06 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.35 1zvn s GLN 76 Cb -0.12 -1.00 0.06 0.00 1.00 0.00 0.00 33.01 32.96 1zvn s GLN 76 CO 0.02 0.22 0.01 0.00 -2.12 0.00 0.00 175.29 173.42 1zvn s ALA 77 N -1.45 1.45 0.12 6.09 0.00 -1.26 -1.82 121.76 124.89 1zvn s ALA 77 Ca 0.03 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 50.98 1zvn s ALA 77 Cb -0.09 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1zvn s ALA 77 CO 0.03 -1.24 -0.04 -0.51 0.00 0.00 0.00 175.76 173.99 1zvn s LEU 78 N 1.64 3.24 -0.07 0.00 1.43 -0.40 -0.56 118.68 123.96 1zvn s LEU 78 Ca -0.02 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 1zvn s LEU 78 Cb -0.18 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1zvn s LEU 78 CO -0.09 0.15 1.67 -0.62 0.23 0.00 0.00 176.35 177.69 1zvn s ASP 79 N -2.45 6.62 0.25 2.29 2.15 -0.78 0.03 116.67 124.78 1zvn s ASP 79 Ca 0.24 2.20 -0.12 0.00 0.43 0.00 0.00 52.55 55.31 1zvn s ASP 79 Cb -0.11 -2.53 0.36 0.00 -0.30 0.00 0.00 42.92 40.34 1zvn s ASP 79 CO 0.16 -0.97 1.57 0.03 -0.17 0.00 0.00 175.17 175.80 1zvn h ARG 80 N 9.75 -0.01 -0.00 4.34 2.47 -1.20 0.27 114.38 129.99 1zvn h ARG 80 Ca -0.39 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1zvn h ARG 80 Cb 1.18 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1zvn h ARG 80 CO 0.96 -0.01 -0.00 0.00 0.56 0.00 0.00 179.97 181.48 1zvn h ARG 81 N -0.01 0.01 0.00 0.04 2.47 -1.92 -3.35 114.38 111.61 1zvn h ARG 81 Ca 0.41 -0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.80 1zvn h ARG 81 Cb 0.65 -0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.91 1zvn h ARG 81 CO -0.93 0.41 -2.09 2.41 0.56 0.00 0.00 179.97 180.32 1zvn n THR 82 N -4.89 1.45 -0.96 2.04 -1.04 -1.10 -4.97 114.28 104.80 1zvn n THR 82 Ca -0.08 -0.83 0.00 0.00 -2.04 0.00 0.00 64.05 61.10 1zvn n THR 82 Cb 0.21 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 1zvn n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zvn n GLY 83 N 1.66 0.51 3.76 3.41 0.00 0.92 -5.01 105.19 110.44 1zvn n GLY 83 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1zvn n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1zvn s ARG 84 N -0.38 4.61 0.29 1.61 1.04 -1.26 -4.75 118.95 120.12 1zvn s ARG 84 Ca 0.00 1.23 -0.30 0.00 -1.04 0.00 0.00 55.73 55.62 1zvn s ARG 84 Cb 0.00 -3.30 -0.11 0.00 -2.04 0.00 0.00 34.95 29.50 1zvn s ARG 84 CO 0.00 0.45 1.50 -1.25 -0.04 0.00 0.00 175.30 175.96 1zvn s PRO 85 N -0.75 4.20 -0.01 3.89 0.04 -1.26 -1.87 135.00 139.23 1zvn s PRO 85 Ca 0.39 2.44 0.16 0.00 0.04 0.00 0.00 61.00 64.03 1zvn s PRO 85 Cb -0.23 -3.06 -0.21 0.00 0.04 0.00 0.00 34.50 31.05 1zvn s PRO 85 CO 0.27 -0.50 0.52 -1.33 0.04 0.00 0.00 177.00 175.99 1zvn n MET 86 N 1.94 1.18 -4.26 4.56 2.81 0.27 -4.87 117.12 118.75 1zvn n MET 86 Ca 0.06 -0.07 -0.17 0.00 -1.81 0.00 0.00 57.70 55.71 1zvn n MET 86 Cb 0.39 -1.31 -0.11 0.00 -0.71 0.00 0.00 33.22 31.48 1zvn n MET 86 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1zvn s GLU 87 N -2.79 1.09 0.40 0.03 0.41 -1.22 -5.05 118.70 111.57 1zvn s GLU 87 Ca 0.00 -1.36 -0.25 0.00 -0.41 0.00 0.00 54.97 52.95 1zvn s GLU 87 Cb 0.11 -0.88 -0.08 0.00 -1.78 0.00 0.00 34.13 31.50 1zvn s GLU 87 CO 0.66 0.15 1.15 -1.25 -0.49 0.00 0.00 175.26 175.48 1zvn s PRO 88 N -3.12 4.06 0.34 0.39 0.04 -1.26 -4.65 135.00 130.80 1zvn s PRO 88 Ca 0.13 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 1zvn s PRO 88 Cb -0.02 -2.64 -0.10 0.00 0.04 0.00 0.00 34.50 31.77 1zvn s PRO 88 CO 0.03 -0.29 1.28 -2.00 0.04 0.00 0.00 177.00 176.06 1zvn s GLU 89 N -2.34 4.34 -0.03 4.56 2.12 -1.26 -4.89 118.70 121.19 1zvn s GLU 89 Ca 0.57 2.15 0.01 0.00 0.36 0.00 0.00 54.97 58.07 1zvn s GLU 89 Cb -0.29 -3.04 0.02 0.00 0.26 0.00 0.00 34.13 31.08 1zvn s GLU 89 CO 0.36 -0.18 -0.05 0.45 -0.54 0.00 0.00 175.26 175.30 1zvn s SER 90 N -0.58 0.90 0.40 -1.70 0.15 -0.19 -4.94 113.70 107.75 1zvn s SER 90 Ca 0.49 -0.13 -0.24 0.00 0.70 0.00 0.00 55.95 56.77 1zvn s SER 90 Cb -0.38 -0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 63.47 1zvn s SER 90 CO 0.51 -0.02 1.08 -1.61 1.20 0.00 0.00 173.24 174.40 1zvn s GLU 91 N 0.63 4.11 0.10 5.44 2.02 -1.26 0.08 118.70 129.83 1zvn s GLU 91 Ca -0.08 1.58 -0.09 0.00 0.02 0.00 0.00 54.97 56.39 1zvn s GLU 91 Cb -0.12 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1zvn s GLU 91 CO 0.00 -0.20 0.22 -0.59 0.02 0.00 0.00 175.26 174.71 1zvn s PHE 92 N -1.61 0.16 0.08 1.61 -0.12 -0.11 -4.90 117.98 113.10 1zvn s PHE 92 Ca 0.58 -0.57 0.10 0.00 -0.05 0.00 0.00 56.93 56.99 1zvn s PHE 92 Cb -0.24 -0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 1zvn s PHE 92 CO 0.30 -0.59 -0.25 -1.50 -0.05 0.00 0.00 175.22 173.13 1zvn s ILE 93 N -3.87 2.29 -0.23 -4.49 2.07 -0.71 -0.71 121.20 115.56 1zvn s ILE 93 Ca 0.07 -1.52 -0.04 0.00 -1.41 0.00 0.00 60.65 57.75 1zvn s ILE 93 Cb 0.04 -1.96 -0.00 0.00 0.13 0.00 0.00 42.46 40.67 1zvn s ILE 93 CO -0.09 0.24 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.52 1zvn s ILE 94 N -0.93 3.42 -0.12 2.00 1.01 -0.16 0.56 121.20 126.97 1zvn s ILE 94 Ca 0.13 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1zvn s ILE 94 Cb -0.10 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 1zvn s ILE 94 CO 0.04 0.36 0.10 -0.54 0.00 0.00 0.00 174.94 174.90 1zvn s LYS 95 N 1.47 3.42 -0.25 2.79 1.02 0.12 -0.81 119.74 127.50 1zvn s LYS 95 Ca 0.05 -0.23 -0.10 0.00 0.02 0.00 0.00 55.97 55.71 1zvn s LYS 95 Cb -0.15 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 1zvn s LYS 95 CO -0.03 0.68 0.15 0.42 -0.92 0.00 0.00 175.35 175.66 1zvn s ILE 96 N -0.78 5.15 -0.07 2.17 -1.09 -0.38 0.02 121.20 126.23 1zvn s ILE 96 Ca 0.13 0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 58.63 1zvn s ILE 96 Cb -0.12 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1zvn s ILE 96 CO 0.03 0.33 0.09 -1.10 -1.23 0.00 0.00 174.94 173.05 1zvn s GLN 97 N 1.27 3.20 0.00 2.79 -1.52 0.11 -4.74 119.66 120.77 1zvn s GLN 97 Ca 0.07 -0.32 0.21 0.00 -1.95 0.00 0.00 55.36 53.37 1zvn s GLN 97 Cb -0.14 -2.98 0.17 0.00 -0.22 0.00 0.00 33.01 29.84 1zvn s GLN 97 CO 0.06 0.71 1.18 -0.40 -0.25 0.00 0.00 175.29 176.59