#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vr9 h VAL 3 N 0.00 0.38 -0.89 -0.18 2.07 -0.79 -2.32 116.25 114.51 1vr9 h VAL 3 Ca 0.00 -0.11 0.23 0.00 0.82 0.00 0.00 66.70 67.64 1vr9 h VAL 3 Cb 0.00 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.74 1vr9 h VAL 3 CO 0.00 0.06 0.61 0.50 0.02 0.00 0.00 177.57 178.76 1vr9 h LYS 4 N 0.32 0.21 0.00 1.57 3.64 -1.60 0.16 116.57 120.88 1vr9 h LYS 4 Ca 0.61 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1vr9 h LYS 4 Cb 1.24 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1vr9 h LYS 4 CO -0.59 0.14 0.00 -0.22 -2.27 0.00 0.00 179.45 176.51 1vr9 h LYS 5 N 0.22 0.00 -0.07 1.90 3.64 -1.73 -3.19 116.57 117.34 1vr9 h LYS 5 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1vr9 h LYS 5 Cb 1.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1vr9 h LYS 5 CO -0.11 0.00 0.00 0.91 -2.27 0.00 0.00 179.45 177.98 1vr9 n TRP 6 N -2.98 0.07 -2.28 1.91 7.02 0.57 -5.00 117.44 116.75 1vr9 n TRP 6 Ca 0.02 -0.04 -0.41 0.00 -1.02 0.00 0.00 57.50 56.06 1vr9 n TRP 6 Cb 0.39 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.25 1vr9 n TRP 6 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1vr9 s VAL 7 N -1.67 3.09 0.12 -0.99 1.01 -1.16 -4.64 120.40 116.15 1vr9 s VAL 7 Ca 0.26 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.41 1vr9 s VAL 7 Cb 0.18 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1vr9 s VAL 7 CO 0.26 0.25 -0.20 0.28 0.00 0.00 0.00 175.10 175.69 1vr9 s THR 8 N -1.07 2.70 -2.66 3.92 -1.32 0.87 -4.95 115.64 113.14 1vr9 s THR 8 Ca 0.47 -1.54 0.24 0.00 -1.21 0.00 0.00 61.69 59.65 1vr9 s THR 8 Cb -0.36 -2.22 0.20 0.00 -1.51 0.00 0.00 72.50 68.60 1vr9 s THR 8 CO 0.47 0.11 1.30 0.00 -2.21 0.00 0.00 174.62 174.29 1vr9 n GLN 9 N 0.87 1.92 -3.07 7.08 1.13 -1.26 -2.13 117.38 121.92 1vr9 n GLN 9 Ca -0.16 -1.52 -0.44 0.00 -1.94 0.00 0.00 57.00 52.93 1vr9 n GLN 9 Cb 0.53 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.40 1vr9 n GLN 9 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1vr9 s ASP 10 N -2.13 7.03 0.08 1.08 -1.08 -1.26 -4.94 116.67 115.45 1vr9 s ASP 10 Ca 0.27 -2.95 -0.21 0.00 -0.52 0.00 0.00 52.55 49.14 1vr9 s ASP 10 Cb 0.20 -2.34 0.05 0.00 -1.46 0.00 0.00 42.92 39.37 1vr9 s ASP 10 CO 0.38 -0.68 0.50 0.72 0.52 0.00 0.00 175.17 176.62 1vr9 s PHE 11 N 0.97 -0.39 0.68 -5.34 -0.71 -1.26 -5.03 117.98 106.89 1vr9 s PHE 11 Ca 0.36 0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 56.44 1vr9 s PHE 11 Cb -0.05 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.11 1vr9 s PHE 11 CO -0.04 -0.69 1.07 -1.25 -1.34 0.00 0.00 175.22 172.98 1vr9 s PRO 12 N -2.94 2.87 -0.02 1.99 0.04 -1.26 -5.01 135.00 130.67 1vr9 s PRO 12 Ca -0.03 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1vr9 s PRO 12 Cb -0.00 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.68 1vr9 s PRO 12 CO -0.06 -1.16 1.16 0.14 0.04 0.00 0.00 177.00 177.12 1vr9 s VAL 14 N -2.71 0.00 0.37 -0.36 -7.23 -0.15 -0.86 120.40 109.46 1vr9 s VAL 14 Ca 0.62 -0.23 -0.07 0.00 -1.81 0.00 0.00 61.98 60.49 1vr9 s VAL 14 Cb -0.16 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1vr9 s VAL 14 CO 0.47 0.00 0.67 -0.70 -0.31 0.00 0.00 175.10 175.24 1vr9 s GLU 15 N -2.67 3.66 0.35 4.82 -6.30 -1.26 -1.84 118.70 115.46 1vr9 s GLU 15 Ca 0.12 0.19 0.26 0.00 -2.50 0.00 0.00 54.97 53.03 1vr9 s GLU 15 Cb 0.02 -2.51 1.25 0.00 0.00 0.00 0.00 34.13 32.89 1vr9 s GLU 15 CO -0.03 0.04 1.78 1.05 0.02 0.00 0.00 175.26 178.12 1vr9 h GLU 16 N 1.21 0.00 -0.62 4.30 4.11 -1.27 -1.35 114.58 120.96 1vr9 h GLU 16 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1vr9 h GLU 16 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1vr9 h GLU 16 CO 0.64 0.00 0.00 0.43 0.07 0.00 0.00 179.01 180.15 1vr9 n SER 17 N -2.40 3.79 -4.73 3.06 7.64 -1.26 -2.60 113.62 117.11 1vr9 n SER 17 Ca -0.00 -2.00 -0.36 0.00 1.01 0.00 0.00 58.87 57.52 1vr9 n SER 17 Cb 0.13 -0.41 0.08 0.00 -1.01 0.00 0.00 64.21 63.00 1vr9 n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vr9 s ALA 18 N -1.18 2.31 0.71 -0.43 0.00 -0.51 -4.71 121.76 117.95 1vr9 s ALA 18 Ca 0.46 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.48 1vr9 s ALA 18 Cb 0.25 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1vr9 s ALA 18 CO 0.33 -1.68 1.07 0.95 0.00 0.00 0.00 175.76 176.43 1vr9 s THR 19 N -1.49 3.87 0.22 0.00 -4.23 -1.26 -1.30 115.64 111.45 1vr9 s THR 19 Ca 0.81 0.61 -0.07 0.00 -1.18 0.00 0.00 61.69 61.86 1vr9 s THR 19 Cb -0.36 -3.36 0.17 0.00 1.34 0.00 0.00 72.50 70.29 1vr9 s THR 19 CO 0.41 -0.79 1.80 0.58 -0.54 0.00 0.00 174.62 176.08 1vr9 h VAL 20 N -0.77 0.93 -0.42 2.29 2.07 -0.55 -2.10 116.25 117.69 1vr9 h VAL 20 Ca -0.44 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1vr9 h VAL 20 Cb 1.22 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 1vr9 h VAL 20 CO 0.57 0.13 -0.10 -0.09 0.02 0.00 0.00 177.57 178.10 1vr9 h ARG 21 N 0.71 0.00 -0.66 1.57 2.43 -1.50 -0.74 114.38 116.20 1vr9 h ARG 21 Ca 0.34 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1vr9 h ARG 21 Cb 0.27 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1vr9 h ARG 21 CO -0.22 0.00 0.25 0.93 -1.51 0.00 0.00 179.97 179.43 1vr9 h GLU 22 N 0.00 1.00 -0.28 0.20 5.08 -1.73 -1.78 114.58 117.08 1vr9 h GLU 22 Ca 0.20 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1vr9 h GLU 22 Cb 0.31 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1vr9 h GLU 22 CO -0.44 0.84 0.04 0.00 -1.00 0.00 0.00 179.01 178.46 1vr9 h LEU 24 N 0.27 0.78 -0.27 0.00 3.38 -1.03 -2.51 115.31 115.94 1vr9 h LEU 24 Ca 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1vr9 h LEU 24 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1vr9 h LEU 24 CO 0.01 0.60 0.08 -0.74 0.09 0.00 0.00 178.44 178.48 1vr9 h HIS 25 N 0.90 0.43 0.00 1.13 2.76 -1.02 -1.39 115.15 117.96 1vr9 h HIS 25 Ca 0.23 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1vr9 h HIS 25 Cb -0.03 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.81 1vr9 h HIS 25 CO 0.00 0.48 0.00 0.54 -1.30 0.00 0.00 177.93 177.65 1vr9 n ARG 26 N -4.72 0.00 0.00 5.26 5.12 -0.76 -1.47 116.66 120.09 1vr9 n ARG 26 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1vr9 n ARG 26 Cb 0.16 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1vr9 n ARG 26 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1vr9 n ARG 28 N 0.64 0.00 0.24 5.56 1.74 -0.53 -2.28 116.66 122.03 1vr9 n ARG 28 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1vr9 n ARG 28 Cb 0.00 0.00 0.59 0.00 -1.02 0.00 0.00 32.46 32.03 1vr9 n ARG 28 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1vr9 h GLN 29 N 0.00 0.00 -0.54 5.56 1.08 -1.53 -1.46 115.11 118.22 1vr9 h GLN 29 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1vr9 h GLN 29 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1vr9 h GLN 29 CO 0.00 0.18 0.00 0.66 -0.95 0.00 0.00 178.83 178.72 1vr9 n TYR 30 N -3.98 0.75 -3.94 2.96 4.02 -0.97 -4.98 117.16 111.03 1vr9 n TYR 30 Ca -0.02 -0.51 -0.29 0.00 -0.01 0.00 0.00 57.90 57.07 1vr9 n TYR 30 Cb 0.26 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.54 1vr9 n TYR 30 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1vr9 n GLN 31 N 1.06 -2.42 -4.19 -0.72 6.02 -0.55 -4.94 117.38 111.64 1vr9 n GLN 31 Ca 0.18 0.36 -0.17 0.00 -0.01 0.00 0.00 57.00 57.37 1vr9 n GLN 31 Cb 0.54 -4.20 -0.07 0.00 1.02 0.00 0.00 30.24 27.53 1vr9 n GLN 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1vr9 s THR 32 N -3.86 0.00 -0.07 5.09 -1.32 -1.26 -5.02 115.64 109.19 1vr9 s THR 32 Ca 0.14 -1.82 0.10 0.00 -1.21 0.00 0.00 61.69 58.90 1vr9 s THR 32 Cb -0.06 -2.55 0.16 0.00 -1.51 0.00 0.00 72.50 68.54 1vr9 s THR 32 CO 0.90 0.00 1.05 -0.46 -2.21 0.00 0.00 174.62 173.90 1vr9 n ASN 33 N -1.34 1.79 -4.08 8.08 0.23 -1.26 -4.46 115.26 114.21 1vr9 n ASN 33 Ca 0.04 -2.52 -0.20 0.00 -0.53 0.00 0.00 54.58 51.37 1vr9 n ASN 33 Cb 0.62 -0.26 -0.14 0.00 -2.08 0.00 0.00 39.78 37.92 1vr9 n ASN 33 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1vr9 s GLU 34 N -1.81 0.91 -0.05 -3.83 2.12 -1.26 -1.39 118.70 113.39 1vr9 s GLU 34 Ca 0.17 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 55.01 1vr9 s GLU 34 Cb 0.15 -0.89 0.02 0.00 0.26 0.00 0.00 34.13 33.67 1vr9 s GLU 34 CO 0.02 0.24 -0.09 0.00 -0.54 0.00 0.00 175.26 174.89 1vr9 s ILE 36 N 0.75 4.16 -0.06 0.00 1.01 -0.04 -0.43 121.20 126.58 1vr9 s ILE 36 Ca -0.13 1.94 0.05 0.00 0.00 0.00 0.00 60.65 62.51 1vr9 s ILE 36 Cb -0.15 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1vr9 s ILE 36 CO 0.02 0.33 -0.22 -0.69 0.00 0.00 0.00 174.94 174.39 1vr9 s VAL 37 N -1.38 2.37 0.34 2.92 1.01 0.28 -0.98 120.40 124.96 1vr9 s VAL 37 Ca 0.45 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1vr9 s VAL 37 Cb -0.22 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 1vr9 s VAL 37 CO 0.28 0.57 0.02 -1.59 0.00 0.00 0.00 175.10 174.37 1vr9 s LYS 38 N -0.24 1.72 0.63 2.72 -2.85 -0.77 -1.07 119.74 119.88 1vr9 s LYS 38 Ca -0.01 -1.94 0.00 0.00 -1.00 0.00 0.00 55.97 53.02 1vr9 s LYS 38 Cb -0.13 -1.17 0.13 0.00 -2.06 0.00 0.00 37.83 34.60 1vr9 s LYS 38 CO 0.03 -0.09 0.87 -0.40 0.10 0.00 0.00 175.35 175.85 1vr9 n ASP 39 N -0.75 1.20 0.25 0.03 5.68 0.02 -0.74 116.55 122.23 1vr9 n ASP 39 Ca -0.04 -2.00 0.13 0.00 -0.50 0.00 0.00 54.79 52.38 1vr9 n ASP 39 Cb 0.66 -0.56 0.61 0.00 -1.14 0.00 0.00 41.12 40.69 1vr9 n ASP 39 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1vr9 h ARG 40 N 0.00 0.00 -0.00 0.11 3.08 -2.00 -1.90 114.38 113.67 1vr9 h ARG 40 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1vr9 h ARG 40 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1vr9 h ARG 40 CO 0.31 0.13 -0.10 0.39 -1.07 0.00 0.00 179.97 179.64 1vr9 n GLU 41 N -3.35 0.67 -0.16 0.04 -0.58 -1.26 -4.94 120.64 111.05 1vr9 n GLU 41 Ca -0.00 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 1vr9 n GLU 41 Cb 0.34 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1vr9 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vr9 n GLY 42 N 1.28 0.69 3.76 0.62 0.00 -0.72 -5.02 105.19 105.80 1vr9 n GLY 42 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1vr9 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vr9 s HIS 43 N -2.23 3.33 0.16 1.61 3.76 -1.26 -0.89 115.29 119.77 1vr9 s HIS 43 Ca 0.00 1.54 -0.32 0.00 -0.15 0.00 0.00 55.06 56.13 1vr9 s HIS 43 Cb 0.00 -3.48 -0.10 0.00 1.11 0.00 0.00 32.58 30.11 1vr9 s HIS 43 CO 0.00 -1.21 1.59 0.12 -0.85 0.00 0.00 174.74 174.39 1vr9 s PHE 44 N -1.01 2.98 -0.12 1.40 5.36 -1.26 -0.80 117.98 124.53 1vr9 s PHE 44 Ca 0.47 0.57 0.09 0.00 -0.96 0.00 0.00 56.93 57.10 1vr9 s PHE 44 Cb -0.36 -3.95 -0.13 0.00 -0.34 0.00 0.00 43.02 38.24 1vr9 s PHE 44 CO 0.46 -3.54 0.01 0.54 -1.46 0.00 0.00 175.22 171.23 1vr9 n ARG 45 N 4.15 1.89 -1.18 10.12 5.12 -0.23 -4.88 116.66 131.64 1vr9 n ARG 45 Ca 0.14 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1vr9 n ARG 45 Cb 0.38 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 1vr9 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vr9 n GLY 46 N 2.37 0.28 3.15 -0.13 0.00 -1.21 -4.39 105.19 105.27 1vr9 n GLY 46 Ca -0.20 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 1vr9 n GLY 46 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vr9 s VAL 47 N -3.34 0.88 -0.13 1.61 -7.23 0.03 -0.56 120.40 111.66 1vr9 s VAL 47 Ca 0.00 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1vr9 s VAL 47 Cb 0.00 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 1vr9 s VAL 47 CO 0.00 -0.44 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.61 1vr9 s VAL 48 N -1.93 3.83 -0.09 1.32 1.01 0.43 -0.13 120.40 124.83 1vr9 s VAL 48 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1vr9 s VAL 48 Cb -0.06 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1vr9 s VAL 48 CO 0.01 0.53 0.28 0.20 0.00 0.00 0.00 175.10 176.12 1vr9 s ASN 49 N -0.03 6.55 0.26 3.32 0.01 -1.26 -1.50 114.94 122.29 1vr9 s ASN 49 Ca 0.01 0.65 -0.02 0.00 -0.71 0.00 0.00 52.86 52.78 1vr9 s ASN 49 Cb -0.13 -2.17 0.48 0.00 0.41 0.00 0.00 41.25 39.83 1vr9 s ASN 49 CO 0.03 0.28 1.80 0.50 -1.51 0.00 0.00 177.10 178.19 1vr9 h LYS 50 N 5.47 0.74 -0.99 -0.60 3.64 -1.61 -0.96 116.57 122.26 1vr9 h LYS 50 Ca -0.49 -0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.05 1vr9 h LYS 50 Cb 1.20 -0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 32.76 1vr9 h LYS 50 CO 0.65 0.49 0.62 1.05 -2.27 0.00 0.00 179.45 179.99 1vr9 h GLU 51 N 0.76 0.62 0.00 1.90 4.11 -1.95 -0.64 114.58 119.38 1vr9 h GLU 51 Ca 0.44 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1vr9 h GLU 51 Cb 0.50 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1vr9 h GLU 51 CO -0.29 0.41 0.00 -0.44 0.07 0.00 0.00 179.01 178.76 1vr9 h ASP 52 N 0.64 0.00 0.02 3.06 5.19 -1.58 -3.04 116.42 120.71 1vr9 h ASP 52 Ca 0.57 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1vr9 h ASP 52 Cb 1.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1vr9 h ASP 52 CO -0.34 0.00 -0.15 0.18 -3.12 0.00 0.00 179.24 175.81 1vr9 n LEU 53 N -2.41 2.07 -0.11 1.55 4.77 -0.25 -4.69 117.00 117.93 1vr9 n LEU 53 Ca 0.01 -0.70 -0.03 0.00 -0.03 0.00 0.00 56.01 55.27 1vr9 n LEU 53 Cb 0.23 -0.02 0.18 0.00 -2.33 0.00 0.00 43.42 41.48 1vr9 n LEU 53 CO 0.20 0.36 0.93 -0.07 -1.33 0.00 0.00 177.39 177.48 1vr9 h LEU 54 N 3.01 0.75 -3.21 2.23 3.38 -1.61 -2.96 115.31 116.91 1vr9 h LEU 54 Ca 0.00 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1vr9 h LEU 54 Cb 0.74 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1vr9 h LEU 54 CO 0.00 0.78 0.09 0.47 0.09 0.00 0.00 178.44 179.87 1vr9 n ASP 55 N -4.25 4.71 -4.55 -0.43 8.00 -1.26 -4.96 116.55 113.81 1vr9 n ASP 55 Ca 0.03 -2.87 -0.34 0.00 0.71 0.00 0.00 54.79 52.33 1vr9 n ASP 55 Cb 0.26 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 40.57 1vr9 n ASP 55 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1vr9 s LEU 56 N -2.36 3.03 0.27 0.64 1.43 -1.12 -5.08 118.68 115.49 1vr9 s LEU 56 Ca 0.45 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.18 1vr9 s LEU 56 Cb 0.35 -1.65 -0.13 0.00 0.03 0.00 0.00 46.19 44.80 1vr9 s LEU 56 CO 0.12 0.36 1.40 -0.67 0.23 0.00 0.00 176.35 177.79 1vr9 n ASP 57 N 2.26 2.92 0.26 2.29 -0.08 -1.26 -4.89 116.55 118.04 1vr9 n ASP 57 Ca -0.18 1.16 0.08 0.00 -1.51 0.00 0.00 54.79 54.35 1vr9 n ASP 57 Cb 0.53 -1.47 0.64 0.00 2.34 0.00 0.00 41.12 43.16 1vr9 n ASP 57 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1vr9 h LEU 58 N 3.86 0.00 0.00 -2.67 3.38 -1.96 -1.98 115.31 115.94 1vr9 h LEU 58 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1vr9 h LEU 58 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1vr9 h LEU 58 CO 0.73 0.04 -0.12 0.47 0.09 0.00 0.00 178.44 179.65 1vr9 n ASP 59 N -4.41 0.56 -4.72 -0.43 8.00 -1.26 -1.40 116.55 112.88 1vr9 n ASP 59 Ca -0.03 0.44 -0.29 0.00 0.71 0.00 0.00 54.79 55.62 1vr9 n ASP 59 Cb 0.13 -0.52 0.15 0.00 -0.02 0.00 0.00 41.12 40.86 1vr9 n ASP 59 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1vr9 s SER 60 N -3.97 3.25 0.18 -2.24 1.04 -0.75 -4.75 113.70 106.46 1vr9 s SER 60 Ca 0.11 1.24 -0.03 0.00 0.48 0.00 0.00 55.95 57.75 1vr9 s SER 60 Cb 0.15 -1.91 -0.05 0.00 0.10 0.00 0.00 66.02 64.31 1vr9 s SER 60 CO 0.60 -2.74 0.41 -0.55 0.98 0.00 0.00 173.24 171.94 1vr9 s SER 61 N -3.61 6.45 0.00 7.02 0.15 -1.26 -0.23 113.70 122.21 1vr9 s SER 61 Ca 0.64 0.55 0.20 0.00 0.70 0.00 0.00 55.95 58.04 1vr9 s SER 61 Cb -0.17 -2.07 0.82 0.00 -1.71 0.00 0.00 66.02 62.89 1vr9 s SER 61 CO 0.56 -0.02 1.58 1.33 1.20 0.00 0.00 173.24 177.90 1vr9 n VAL 62 N -0.31 0.17 -0.29 4.45 0.24 -0.42 -4.54 118.33 117.63 1vr9 n VAL 62 Ca -0.03 -0.28 0.11 0.00 -2.04 0.00 0.00 64.34 62.10 1vr9 n VAL 62 Cb 0.53 0.24 0.26 0.00 -1.47 0.00 0.00 33.84 33.40 1vr9 n VAL 62 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1vr9 h PHE 63 N 1.76 0.44 -0.17 6.34 3.57 -1.75 0.26 116.94 127.40 1vr9 h PHE 63 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1vr9 h PHE 63 Cb 0.39 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1vr9 h PHE 63 CO 0.08 -0.11 0.00 0.09 -2.23 0.00 0.00 178.31 176.14 1vr9 n ASN 64 N -5.14 2.55 -1.07 0.41 3.02 -1.26 -4.38 115.26 109.39 1vr9 n ASN 64 Ca 0.19 -1.84 0.12 0.00 -0.03 0.00 0.00 54.58 53.02 1vr9 n ASN 64 Cb 0.60 -0.10 0.17 0.00 -0.61 0.00 0.00 39.78 39.85 1vr9 n ASN 64 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1vr9 n LYS 65 N 0.94 2.41 -2.85 3.52 4.76 0.08 -4.98 118.16 122.04 1vr9 n LYS 65 Ca 0.17 -2.15 -0.36 0.00 -2.87 0.00 0.00 58.31 53.09 1vr9 n LYS 65 Cb 0.49 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.13 1vr9 n LYS 65 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1vr9 s VAL 66 N -1.63 4.30 0.36 -0.18 1.01 -1.22 -4.65 120.40 118.39 1vr9 s VAL 66 Ca 0.35 1.69 0.04 0.00 0.00 0.00 0.00 61.98 64.05 1vr9 s VAL 66 Cb 0.21 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1vr9 s VAL 66 CO 0.31 0.11 0.15 -0.94 0.00 0.00 0.00 175.10 174.73 1vr9 s SER 67 N -1.68 2.25 -1.20 3.32 1.04 0.81 -4.92 113.70 113.32 1vr9 s SER 67 Ca 0.50 -1.64 -0.06 0.00 0.48 0.00 0.00 55.95 55.23 1vr9 s SER 67 Cb -0.17 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 1vr9 s SER 67 CO 0.22 -0.92 0.79 0.18 0.98 0.00 0.00 173.24 174.50 1vr9 n LEU 68 N -0.76 -3.67 0.15 2.42 4.77 -1.26 -0.79 117.00 117.84 1vr9 n LEU 68 Ca -0.02 -0.83 0.12 0.00 -0.03 0.00 0.00 56.01 55.25 1vr9 n LEU 68 Cb 0.65 -2.76 0.53 0.00 -2.33 0.00 0.00 43.42 39.51 1vr9 n LEU 68 CO 0.35 0.35 0.85 -0.81 -1.33 0.00 0.00 177.39 176.81 1vr9 n PRO 69 N -4.01 0.19 -0.28 3.23 -0.04 -1.26 -2.27 135.00 130.55 1vr9 n PRO 69 Ca -0.20 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 63.86 1vr9 n PRO 69 Cb 0.65 -1.91 0.25 0.00 -0.04 0.00 0.00 33.50 32.44 1vr9 n PRO 69 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1vr9 n ASP 70 N -2.28 3.57 -4.44 3.54 8.00 -1.26 -4.78 116.55 118.91 1vr9 n ASP 70 Ca 0.01 -1.98 -0.44 0.00 0.71 0.00 0.00 54.79 53.09 1vr9 n ASP 70 Cb 0.17 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 40.89 1vr9 n ASP 70 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1vr9 s PHE 71 N -1.10 3.36 0.17 1.24 5.36 -0.96 -4.93 117.98 121.11 1vr9 s PHE 71 Ca 0.40 -1.76 -0.23 0.00 -0.96 0.00 0.00 56.93 54.38 1vr9 s PHE 71 Cb 0.22 -4.23 0.06 0.00 -0.34 0.00 0.00 43.02 38.73 1vr9 s PHE 71 CO 0.29 -1.39 0.69 -0.59 -1.46 0.00 0.00 175.22 172.76 1vr9 s PHE 72 N 1.89 -0.40 0.20 10.12 -0.12 -1.26 -4.18 117.98 124.22 1vr9 s PHE 72 Ca 0.34 0.14 0.04 0.00 -0.05 0.00 0.00 56.93 57.40 1vr9 s PHE 72 Cb -0.05 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 42.89 1vr9 s PHE 72 CO -0.06 -0.90 -0.04 0.14 -0.05 0.00 0.00 175.22 174.30 1vr9 s VAL 73 N -3.68 1.13 0.25 -2.49 -7.23 -0.49 -5.00 120.40 102.88 1vr9 s VAL 73 Ca 0.05 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 1vr9 s VAL 73 Cb -0.02 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1vr9 s VAL 73 CO -0.07 -0.48 0.51 -1.00 -0.31 0.00 0.00 175.10 173.76 1vr9 s HIS 74 N -3.36 3.47 0.39 2.82 3.76 -1.26 -0.86 115.29 120.24 1vr9 s HIS 74 Ca 0.24 0.64 0.12 0.00 -0.15 0.00 0.00 55.06 55.92 1vr9 s HIS 74 Cb 0.04 -2.09 0.93 0.00 1.11 0.00 0.00 32.58 32.57 1vr9 s HIS 74 CO 0.06 0.24 1.89 0.93 -0.85 0.00 0.00 174.74 177.01 1vr9 h GLU 75 N 2.01 0.54 -0.01 1.40 5.08 -1.63 -1.78 114.58 120.19 1vr9 h GLU 75 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1vr9 h GLU 75 Cb 1.18 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1vr9 h GLU 75 CO 0.68 0.36 -0.09 0.39 -1.00 0.00 0.00 179.01 179.35 1vr9 n GLU 76 N -4.53 1.43 -1.73 2.33 -0.58 -1.26 -1.74 120.64 114.56 1vr9 n GLU 76 Ca 0.16 -0.86 -0.34 0.00 -0.42 0.00 0.00 57.16 55.70 1vr9 n GLU 76 Cb 0.51 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.96 1vr9 n GLU 76 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1vr9 s ASP 77 N -2.16 4.82 0.22 1.62 1.01 -0.67 -4.79 116.67 116.71 1vr9 s ASP 77 Ca 0.33 2.26 -0.30 0.00 0.71 0.00 0.00 52.55 55.55 1vr9 s ASP 77 Cb 0.20 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.46 1vr9 s ASP 77 CO 0.39 -1.84 1.35 0.21 0.21 0.00 0.00 175.17 175.50 1vr9 s ASN 78 N -2.04 6.81 0.54 0.27 3.84 -1.26 -0.42 114.94 122.68 1vr9 s ASN 78 Ca 0.73 2.51 0.26 0.00 0.21 0.00 0.00 52.86 56.57 1vr9 s ASN 78 Cb -0.27 -2.62 1.43 0.00 -0.55 0.00 0.00 41.25 39.25 1vr9 s ASN 78 CO 0.40 -0.58 2.00 -0.29 -2.79 0.00 0.00 177.10 175.83 1vr9 h ILE 79 N 3.63 0.67 0.00 -5.21 6.09 -1.94 0.17 117.51 120.92 1vr9 h ILE 79 Ca -0.45 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.02 1vr9 h ILE 79 Cb 1.22 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 39.24 1vr9 h ILE 79 CO 0.77 0.00 -0.06 0.71 -3.07 0.00 0.00 178.15 176.50 1vr9 h THR 80 N 0.00 0.75 -0.21 2.19 1.35 -1.98 -2.20 112.91 112.81 1vr9 h THR 80 Ca 0.23 -0.22 -0.02 0.00 -0.55 0.00 0.00 66.41 65.85 1vr9 h THR 80 Cb 0.98 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1vr9 h THR 80 CO -0.00 0.06 0.05 -0.74 -0.25 0.00 0.00 175.52 174.63 1vr9 h HIS 81 N 0.00 0.30 -0.47 4.73 -0.00 -1.03 -1.79 115.15 116.89 1vr9 h HIS 81 Ca -0.00 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.50 1vr9 h HIS 81 Cb 0.12 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 1vr9 h HIS 81 CO 0.00 0.27 0.36 0.00 -0.00 0.00 0.00 177.93 178.56 1vr9 h ALA 82 N 1.76 2.37 -0.96 5.26 0.00 -1.49 -1.76 119.26 124.43 1vr9 h ALA 82 Ca 0.07 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1vr9 h ALA 82 Cb 0.13 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1vr9 h ALA 82 CO -0.00 -0.60 0.63 1.25 0.00 0.00 0.00 179.25 180.53 1vr9 h LEU 83 N 0.00 1.00 -0.84 0.00 5.85 -1.46 -1.05 115.31 118.82 1vr9 h LEU 83 Ca 0.22 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1vr9 h LEU 83 Cb 0.94 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1vr9 h LEU 83 CO -0.00 0.66 0.02 0.25 -0.34 0.00 0.00 178.44 179.03 1vr9 h LEU 84 N 1.15 0.86 -0.11 2.25 5.85 -1.48 -1.31 115.31 122.52 1vr9 h LEU 84 Ca 0.41 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1vr9 h LEU 84 Cb 0.13 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1vr9 h LEU 84 CO -0.15 0.91 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.62 1vr9 h LEU 85 N 0.83 0.34 -1.73 2.25 -0.00 -1.41 -2.77 115.31 112.83 1vr9 h LEU 85 Ca 0.16 -0.52 -0.04 0.00 -0.00 0.00 0.00 57.88 57.48 1vr9 h LEU 85 Cb 0.46 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1vr9 h LEU 85 CO 0.02 0.80 -0.17 -0.26 -0.00 0.00 0.00 178.44 178.83 1vr9 h PHE 86 N -0.11 0.00 -0.68 1.13 0.04 -1.14 -1.40 116.94 114.77 1vr9 h PHE 86 Ca 0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 1vr9 h PHE 86 Cb 0.73 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 1vr9 h PHE 86 CO 0.10 0.17 0.17 1.25 -0.60 0.00 0.00 178.31 179.40 1vr9 h LEU 87 N 0.00 1.04 -0.33 1.54 5.85 -1.20 -3.10 115.31 119.11 1vr9 h LEU 87 Ca -0.00 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1vr9 h LEU 87 Cb 0.40 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1vr9 h LEU 87 CO 0.02 1.00 0.09 -0.33 -0.34 0.00 0.00 178.44 178.89 1vr9 h GLU 88 N 1.03 0.52 -2.63 1.25 5.08 -1.00 -3.44 114.58 115.38 1vr9 h GLU 88 Ca 0.22 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 1vr9 h GLU 88 Cb 0.37 -0.07 -0.31 0.00 0.50 0.00 0.00 28.75 29.24 1vr9 h GLU 88 CO 0.00 0.56 -0.48 -1.01 -1.00 0.00 0.00 179.01 177.08 1vr9 s HIS 89 N -5.35 -0.57 -1.34 4.33 3.76 -0.64 -5.06 115.29 110.41 1vr9 s HIS 89 Ca -0.13 1.08 -0.07 0.00 -0.15 0.00 0.00 55.06 55.78 1vr9 s HIS 89 Cb 0.09 0.05 0.11 0.00 1.11 0.00 0.00 32.58 33.94 1vr9 s HIS 89 CO 0.75 -0.45 2.30 1.04 -0.85 0.00 0.00 174.74 177.53 1vr9 n GLN 90 N 5.36 4.21 -2.83 1.40 3.00 -1.20 -4.20 117.38 123.13 1vr9 n GLN 90 Ca -0.07 -3.34 -0.33 0.00 -0.01 0.00 0.00 57.00 53.26 1vr9 n GLN 90 Cb 0.50 -2.74 -0.07 0.00 0.00 0.00 0.00 30.24 27.93 1vr9 n GLN 90 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1vr9 s GLU 91 N -0.33 4.17 0.51 -1.09 0.41 -1.26 -4.99 118.70 116.12 1vr9 s GLU 91 Ca 0.51 1.03 0.29 0.00 -0.41 0.00 0.00 54.97 56.40 1vr9 s GLU 91 Cb 0.16 -2.21 1.31 0.00 -1.78 0.00 0.00 34.13 31.60 1vr9 s GLU 91 CO -0.06 -0.02 1.98 -1.00 -0.49 0.00 0.00 175.26 175.66 1vr9 h PRO 92 N 1.86 0.00 -3.72 0.39 0.13 -1.96 -3.41 132.00 125.29 1vr9 h PRO 92 Ca -0.49 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.25 1vr9 h PRO 92 Cb 1.18 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.95 1vr9 h PRO 92 CO 0.62 0.12 -0.76 0.71 -0.23 0.00 0.00 178.00 178.46 1vr9 s TYR 93 N -3.85 0.51 -0.33 1.56 2.02 -1.26 -0.76 117.35 115.24 1vr9 s TYR 93 Ca -0.01 -0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 56.50 1vr9 s TYR 93 Cb 0.11 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 1vr9 s TYR 93 CO 0.58 -0.23 0.22 -1.17 -1.57 0.00 0.00 175.55 173.38 1vr9 s LEU 94 N 1.52 4.40 0.32 -1.29 2.96 0.12 -4.93 118.68 121.77 1vr9 s LEU 94 Ca -0.02 -0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.16 1vr9 s LEU 94 Cb -0.13 -2.10 -0.13 0.00 0.50 0.00 0.00 46.19 44.33 1vr9 s LEU 94 CO -0.03 -0.22 1.29 -2.65 -1.32 0.00 0.00 176.35 173.42 1vr9 n PRO 95 N 5.07 2.03 -4.88 0.98 -0.02 -1.26 -0.80 135.00 136.12 1vr9 n PRO 95 Ca -0.13 0.72 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1vr9 n PRO 95 Cb 0.50 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 1vr9 n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vr9 s VAL 96 N -0.88 2.70 0.28 -1.45 1.01 -0.39 -1.40 120.40 120.27 1vr9 s VAL 96 Ca 0.58 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.85 1vr9 s VAL 96 Cb -0.60 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1vr9 s VAL 96 CO 0.59 0.53 -0.09 0.68 0.00 0.00 0.00 175.10 176.82 1vr9 s VAL 97 N 0.41 1.84 0.09 2.92 -7.23 -0.04 -0.23 120.40 118.14 1vr9 s VAL 97 Ca -0.13 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 57.88 1vr9 s VAL 97 Cb -0.16 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.36 1vr9 s VAL 97 CO 0.06 -0.32 0.12 -0.90 -0.31 0.00 0.00 175.10 173.75 1vr9 n ASP 98 N -0.60 0.26 0.27 4.85 5.68 -0.56 -1.51 116.55 124.94 1vr9 n ASP 98 Ca -0.06 -1.20 0.16 0.00 -0.50 0.00 0.00 54.79 53.19 1vr9 n ASP 98 Cb 0.63 -0.07 0.73 0.00 -1.14 0.00 0.00 41.12 41.26 1vr9 n ASP 98 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1vr9 h GLU 99 N 0.00 0.00 0.00 0.11 5.08 -2.02 -3.38 114.58 114.38 1vr9 h GLU 99 Ca -0.04 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 1vr9 h GLU 99 Cb 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1vr9 h GLU 99 CO 0.05 0.07 -1.57 0.39 -1.00 0.00 0.00 179.01 176.95 1vr9 n GLU 100 N -3.26 0.55 0.00 2.33 4.71 -1.26 -5.24 120.64 118.47 1vr9 n GLU 100 Ca -0.01 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1vr9 n GLU 100 Cb 0.28 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 1vr9 n GLU 100 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1vr9 n ARG 102 N -4.39 0.00 -1.99 3.49 1.74 -1.26 -4.97 116.66 109.28 1vr9 n ARG 102 Ca -0.30 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.36 1vr9 n ARG 102 Cb 0.65 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.06 1vr9 n ARG 102 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1vr9 s LEU 103 N 0.00 4.36 0.00 0.55 2.96 -0.07 -1.49 118.68 124.98 1vr9 s LEU 103 Ca 0.00 2.42 0.07 0.00 -0.22 0.00 0.00 54.13 56.41 1vr9 s LEU 103 Cb 0.00 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 1vr9 s LEU 103 CO 0.00 -0.84 0.39 0.29 -1.32 0.00 0.00 176.35 174.87 1vr9 n LYS 104 N 5.34 3.77 -2.30 1.98 4.76 0.67 -4.94 118.16 127.44 1vr9 n LYS 104 Ca 0.15 -0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1vr9 n LYS 104 Cb 0.41 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 1vr9 n LYS 104 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vr9 n GLY 105 N 1.03 -0.11 3.15 0.72 0.00 -1.17 -4.94 105.19 103.87 1vr9 n GLY 105 Ca 0.02 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 1vr9 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vr9 s ALA 106 N -1.00 0.27 -0.24 4.61 0.00 -0.90 -1.27 121.76 123.23 1vr9 s ALA 106 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 1vr9 s ALA 106 Cb 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 1vr9 s ALA 106 CO 0.00 -0.44 0.02 0.08 0.00 0.00 0.00 175.76 175.42 1vr9 s VAL 107 N -3.91 3.88 0.48 0.00 1.01 0.02 -0.09 120.40 121.77 1vr9 s VAL 107 Ca 0.08 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 1vr9 s VAL 107 Cb 0.07 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 1vr9 s VAL 107 CO -0.09 0.35 1.13 -0.94 0.00 0.00 0.00 175.10 175.56 1vr9 s SER 108 N 1.55 6.12 0.30 3.32 1.04 -1.26 -0.70 113.70 124.07 1vr9 s SER 108 Ca 0.06 2.21 -0.02 0.00 0.48 0.00 0.00 55.95 58.69 1vr9 s SER 108 Cb -0.15 -2.59 0.46 0.00 0.10 0.00 0.00 66.02 63.84 1vr9 s SER 108 CO 0.01 -0.94 1.97 0.25 0.98 0.00 0.00 173.24 175.50 1vr9 h LEU 109 N 1.83 0.94 -0.01 2.42 5.85 -1.18 -0.26 115.31 124.89 1vr9 h LEU 109 Ca -0.49 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.23 1vr9 h LEU 109 Cb 1.25 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1vr9 h LEU 109 CO 0.59 0.67 -0.22 -0.74 -0.34 0.00 0.00 178.44 178.41 1vr9 h HIS 110 N 1.10 -0.57 -0.54 1.25 2.76 -1.92 -1.19 115.15 116.04 1vr9 h HIS 110 Ca 0.31 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.44 1vr9 h HIS 110 Cb -0.10 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1vr9 h HIS 110 CO -0.00 -0.30 0.10 -0.44 -1.30 0.00 0.00 177.93 175.98 1vr9 h ASP 111 N -0.34 0.79 -0.79 3.26 3.32 -1.79 -2.09 116.42 118.78 1vr9 h ASP 111 Ca 0.06 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.99 1vr9 h ASP 111 Cb 0.42 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1vr9 h ASP 111 CO -0.21 0.80 0.51 0.15 -1.72 0.00 0.00 179.24 178.77 1vr9 h PHE 112 N 0.80 0.96 -0.65 4.55 3.57 -0.84 -1.45 116.94 123.88 1vr9 h PHE 112 Ca 0.17 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1vr9 h PHE 112 Cb 0.34 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1vr9 h PHE 112 CO 0.02 0.56 0.23 -0.07 -2.23 0.00 0.00 178.31 176.82 1vr9 h LEU 113 N 1.00 0.90 -1.09 0.59 3.38 -0.72 -0.58 115.31 118.79 1vr9 h LEU 113 Ca 0.31 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1vr9 h LEU 113 Cb -0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 1vr9 h LEU 113 CO -0.10 0.83 0.62 -0.08 0.09 0.00 0.00 178.44 179.79 1vr9 h GLU 114 N 0.95 1.13 -0.14 1.13 4.81 -0.99 -2.24 114.58 119.23 1vr9 h GLU 114 Ca 0.22 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1vr9 h GLU 114 Cb 0.23 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1vr9 h GLU 114 CO -0.01 0.75 -0.35 0.00 -0.73 0.00 0.00 179.01 178.67 1vr9 h ALA 115 N 1.46 1.15 -0.01 2.92 0.00 -0.41 -3.05 119.26 121.31 1vr9 h ALA 115 Ca 0.38 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1vr9 h ALA 115 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1vr9 h ALA 115 CO -0.12 0.56 -0.42 -0.07 0.00 0.00 0.00 179.25 179.20 1vr9 h LEU 116 N 0.25 0.03 -0.24 0.00 3.38 -0.56 -3.10 115.31 115.08 1vr9 h LEU 116 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1vr9 h LEU 116 Cb 0.74 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1vr9 h LEU 116 CO 0.06 0.44 0.05 0.40 0.09 0.00 0.00 178.44 179.48 1vr9 h ILE 117 N 0.02 1.21 -4.29 1.22 2.04 -1.36 -2.79 117.51 113.58 1vr9 h ILE 117 Ca -0.00 -0.70 -0.52 0.00 1.00 0.00 0.00 64.86 64.64 1vr9 h ILE 117 Cb 0.75 1.22 0.14 0.00 -0.74 0.00 0.00 36.82 38.20 1vr9 h ILE 117 CO 0.06 0.22 0.31 -0.70 0.00 0.00 0.00 178.15 178.03 1vr9 s GLU 118 N -5.27 2.02 0.00 2.37 2.12 -1.17 -1.50 118.70 117.27 1vr9 s GLU 118 Ca -0.14 1.30 0.00 0.00 0.36 0.00 0.00 54.97 56.49 1vr9 s GLU 118 Cb 0.08 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.60 1vr9 s GLU 118 CO 0.73 -1.84 0.00 0.00 -0.54 0.00 0.00 175.26 173.61 1vr9 n ALA 119 N -3.55 0.00 -1.46 6.30 0.00 -1.26 -4.75 120.51 115.80 1vr9 n ALA 119 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1vr9 n ALA 119 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1vr9 n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vr9 n LEU 120 N 0.00 0.00 0.00 0.00 4.77 -1.05 -5.14 117.00 115.58 1vr9 n LEU 120 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1vr9 n LEU 120 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1vr9 n LEU 120 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06