#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vr3 s GLN 3 N 0.00 3.19 0.01 1.45 -1.52 -1.26 -4.92 119.66 116.61 1vr3 s GLN 3 Ca 0.00 -0.50 -0.04 0.00 -1.95 0.00 0.00 55.36 52.87 1vr3 s GLN 3 Cb 0.00 -2.78 -0.01 0.00 -0.22 0.00 0.00 33.01 30.00 1vr3 s GLN 3 CO 0.00 0.50 0.06 0.00 -0.25 0.00 0.00 175.29 175.60 1vr3 s ALA 4 N -0.35 -0.12 0.08 6.09 0.00 -1.26 -1.14 121.76 125.06 1vr3 s ALA 4 Ca 0.06 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 1vr3 s ALA 4 Cb -0.12 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1vr3 s ALA 4 CO 0.02 -0.19 0.43 1.67 0.00 0.00 0.00 175.76 177.69 1vr3 s TRP 5 N -1.45 -0.27 0.19 0.00 -2.14 0.08 -0.81 118.94 114.54 1vr3 s TRP 5 Ca -0.15 0.12 -0.03 0.00 2.66 0.00 0.00 56.10 58.69 1vr3 s TRP 5 Cb -0.09 0.27 0.05 0.00 -3.10 0.00 0.00 33.47 30.60 1vr3 s TRP 5 CO 0.00 -0.65 0.17 0.66 -2.66 0.00 0.00 176.95 174.48 1vr3 n TYR 6 N 0.14 -3.14 -3.89 1.66 4.01 -0.28 -0.23 117.16 115.43 1vr3 n TYR 6 Ca -0.17 -0.16 -0.13 0.00 -0.16 0.00 0.00 57.90 57.28 1vr3 n TYR 6 Cb 0.62 -0.18 -0.01 0.00 -0.31 0.00 0.00 39.34 39.46 1vr3 n TYR 6 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1vr3 n ASP 8 N -3.29 2.09 -1.17 7.72 5.68 -0.13 -1.80 116.55 125.65 1vr3 n ASP 8 Ca 0.02 -1.96 0.11 0.00 -0.50 0.00 0.00 54.79 52.47 1vr3 n ASP 8 Cb 0.09 0.04 0.26 0.00 -1.14 0.00 0.00 41.12 40.37 1vr3 n ASP 8 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1vr3 n GLU 9 N -0.97 2.63 -2.64 0.11 0.00 -1.26 -4.94 120.64 113.58 1vr3 n GLU 9 Ca -0.04 -2.43 -0.41 0.00 0.00 0.00 0.00 57.16 54.28 1vr3 n GLU 9 Cb 0.30 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.20 1vr3 n GLU 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1vr3 s SER 10 N -1.13 7.43 0.00 -1.84 0.15 -1.26 -4.96 113.70 112.09 1vr3 s SER 10 Ca 0.41 1.97 0.22 0.00 0.70 0.00 0.00 55.95 59.25 1vr3 s SER 10 Cb 0.22 -2.60 0.44 0.00 -1.71 0.00 0.00 66.02 62.37 1vr3 s SER 10 CO 0.30 -0.08 1.39 0.35 1.20 0.00 0.00 173.24 176.40 1vr3 n THR 11 N 2.26 0.57 -3.07 6.45 -2.24 -1.26 -4.98 114.28 112.01 1vr3 n THR 11 Ca 0.01 -0.79 -0.31 0.00 -2.27 0.00 0.00 64.05 60.70 1vr3 n THR 11 Cb 0.47 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 1vr3 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vr3 s ALA 12 N -1.39 3.41 -0.65 6.98 0.00 -1.26 -4.75 121.76 124.11 1vr3 s ALA 12 Ca 0.39 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1vr3 s ALA 12 Cb 0.22 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.73 1vr3 s ALA 12 CO 0.31 0.18 0.64 -0.25 0.00 0.00 0.00 175.76 176.65 1vr3 n ASP 13 N -0.85 -6.51 0.33 0.00 8.00 -1.26 -4.86 116.55 111.40 1vr3 n ASP 13 Ca 0.02 -0.23 0.22 0.00 0.71 0.00 0.00 54.79 55.51 1vr3 n ASP 13 Cb 0.54 -3.54 1.17 0.00 -0.02 0.00 0.00 41.12 39.27 1vr3 n ASP 13 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1vr3 h PRO 14 N 0.87 0.00 0.00 -0.24 0.13 -1.97 -2.29 132.00 128.51 1vr3 h PRO 14 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1vr3 h PRO 14 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1vr3 h PRO 14 CO 0.29 0.00 -0.10 0.54 -0.23 0.00 0.00 178.00 178.50 1vr3 n ARG 15 N -3.17 0.16 -1.43 0.86 1.74 -1.26 -4.83 116.66 108.73 1vr3 n ARG 15 Ca -0.03 0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 1vr3 n ARG 15 Cb 0.09 -1.67 0.07 0.00 -1.02 0.00 0.00 32.46 29.93 1vr3 n ARG 15 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1vr3 s LYS 16 N -3.07 2.51 0.34 5.56 1.02 -0.86 -3.10 119.74 122.13 1vr3 s LYS 16 Ca 0.11 1.16 0.06 0.00 0.02 0.00 0.00 55.97 57.33 1vr3 s LYS 16 Cb 0.15 -1.93 0.60 0.00 -0.52 0.00 0.00 37.83 36.14 1vr3 s LYS 16 CO 0.59 -1.45 1.83 -1.35 -0.92 0.00 0.00 175.35 174.06 1vr3 h PRO 17 N -0.81 0.37 -6.11 -1.68 0.11 -1.88 -3.47 132.00 118.53 1vr3 h PRO 17 Ca -0.44 -0.11 -0.44 0.00 0.11 0.00 0.00 66.00 65.12 1vr3 h PRO 17 Cb 1.23 -0.04 0.04 0.00 0.11 0.00 0.00 31.00 32.34 1vr3 h PRO 17 CO 0.53 0.53 -0.76 0.72 -0.21 0.00 0.00 178.00 178.81 1vr3 n HIS 18 N -4.20 -2.35 -2.26 0.65 8.25 -1.26 -4.92 115.22 109.11 1vr3 n HIS 18 Ca -0.00 0.92 -0.42 0.00 -0.26 0.00 0.00 57.72 57.96 1vr3 n HIS 18 Cb 0.32 -4.38 -0.03 0.00 1.12 0.00 0.00 29.99 27.02 1vr3 n HIS 18 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1vr3 s ARG 19 N -6.34 4.37 0.68 -0.41 0.52 -1.26 -0.96 118.95 115.55 1vr3 s ARG 19 Ca 0.47 1.97 -0.17 0.00 -0.52 0.00 0.00 55.73 57.47 1vr3 s ARG 19 Cb -0.23 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 31.98 1vr3 s ARG 19 CO 0.80 -0.34 1.26 0.00 0.02 0.00 0.00 175.30 177.04 1vr3 s ALA 20 N 0.88 2.28 -0.13 2.13 0.00 -0.75 -4.24 121.76 121.94 1vr3 s ALA 20 Ca 0.61 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1vr3 s ALA 20 Cb -0.34 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.27 1vr3 s ALA 20 CO 0.31 -1.69 -0.13 -0.65 0.00 0.00 0.00 175.76 173.61 1vr3 s GLN 21 N -3.55 2.07 0.77 0.00 -1.52 -1.26 -2.80 119.66 113.36 1vr3 s GLN 21 Ca 0.80 -0.47 -0.11 0.00 -1.95 0.00 0.00 55.36 53.62 1vr3 s GLN 21 Cb -0.34 -1.92 0.05 0.00 -0.22 0.00 0.00 33.01 30.58 1vr3 s GLN 21 CO 0.41 -0.21 1.08 -1.25 -0.25 0.00 0.00 175.29 175.07 1vr3 s PRO 22 N 1.44 2.30 0.23 2.91 0.04 -1.26 -5.08 135.00 135.58 1vr3 s PRO 22 Ca 0.03 0.86 -0.31 0.00 0.04 0.00 0.00 61.00 61.61 1vr3 s PRO 22 Cb -0.13 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 1vr3 s PRO 22 CO -0.08 -1.52 1.21 -0.25 0.04 0.00 0.00 177.00 176.39 1vr3 n ASP 23 N -3.40 1.81 -3.67 6.66 8.00 -1.12 -4.96 116.55 119.85 1vr3 n ASP 23 Ca 0.07 1.15 -0.28 0.00 0.71 0.00 0.00 54.79 56.44 1vr3 n ASP 23 Cb 0.55 -1.31 -0.12 0.00 -0.02 0.00 0.00 41.12 40.22 1vr3 n ASP 23 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1vr3 s ARG 24 N -0.71 1.49 0.59 -1.24 0.52 -1.26 -5.05 118.95 113.29 1vr3 s ARG 24 Ca 0.68 -2.39 -0.18 0.00 -0.52 0.00 0.00 55.73 53.32 1vr3 s ARG 24 Cb -0.75 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 1vr3 s ARG 24 CO 0.54 -1.26 1.13 -1.25 0.02 0.00 0.00 175.30 174.48 1vr3 s PRO 25 N -0.20 3.10 -0.07 3.54 0.04 -1.26 -1.12 135.00 139.01 1vr3 s PRO 25 Ca 0.24 1.57 0.05 0.00 0.04 0.00 0.00 61.00 62.89 1vr3 s PRO 25 Cb -0.11 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1vr3 s PRO 25 CO -0.10 -1.05 -0.23 0.08 0.04 0.00 0.00 177.00 175.74 1vr3 s VAL 26 N -1.94 1.94 0.50 -0.36 1.01 0.01 -4.82 120.40 116.73 1vr3 s VAL 26 Ca 0.71 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1vr3 s VAL 26 Cb -0.24 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1vr3 s VAL 26 CO 0.33 0.54 0.77 -0.94 0.00 0.00 0.00 175.10 175.80 1vr3 s SER 27 N 0.08 5.86 0.36 3.32 1.04 -1.26 -4.04 113.70 119.05 1vr3 s SER 27 Ca -0.10 0.58 0.03 0.00 0.48 0.00 0.00 55.95 56.94 1vr3 s SER 27 Cb -0.15 -1.77 0.67 0.00 0.10 0.00 0.00 66.02 64.88 1vr3 s SER 27 CO 0.05 -0.78 2.01 -0.07 0.98 0.00 0.00 173.24 175.42 1vr3 h LEU 28 N 0.18 0.70 -0.57 2.42 3.38 -1.99 -1.91 115.31 117.51 1vr3 h LEU 28 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1vr3 h LEU 28 Cb 1.24 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1vr3 h LEU 28 CO 0.60 0.49 0.36 -0.08 0.09 0.00 0.00 178.44 179.90 1vr3 h GLU 29 N 0.82 0.77 -0.68 1.13 4.57 -1.96 0.19 114.58 119.41 1vr3 h GLU 29 Ca 0.24 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 1vr3 h GLU 29 Cb -0.03 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 1vr3 h GLU 29 CO -0.06 0.53 0.18 1.96 -1.18 0.00 0.00 179.01 180.45 1vr3 h GLN 30 N 0.77 1.06 -0.57 1.92 4.20 -1.81 -2.21 115.11 118.47 1vr3 h GLN 30 Ca 0.21 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1vr3 h GLN 30 Cb -0.05 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1vr3 h GLN 30 CO -0.04 0.92 0.23 -0.07 -0.67 0.00 0.00 178.83 179.20 1vr3 h LEU 31 N 1.01 0.75 -1.26 1.46 3.38 -0.76 -2.12 115.31 117.77 1vr3 h LEU 31 Ca 0.22 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1vr3 h LEU 31 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1vr3 h LEU 31 CO -0.00 0.67 -0.23 0.03 0.09 0.00 0.00 178.44 178.99 1vr3 h ARG 32 N 0.81 0.21 0.00 1.13 3.08 -0.37 -0.52 114.38 118.73 1vr3 h ARG 32 Ca 0.20 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1vr3 h ARG 32 Cb 0.15 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1vr3 h ARG 32 CO -0.02 0.44 -0.04 1.79 -1.07 0.00 0.00 179.97 181.08 1vr3 h THR 33 N 0.19 0.38 -0.01 2.04 1.35 -1.04 0.06 112.91 115.88 1vr3 h THR 33 Ca 0.03 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1vr3 h THR 33 Cb 0.53 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1vr3 h THR 33 CO 0.04 0.04 -0.04 0.18 -0.25 0.00 0.00 175.52 175.48 1vr3 n LEU 34 N -3.55 1.22 0.00 3.87 4.77 -0.28 -4.79 117.00 118.24 1vr3 n LEU 34 Ca -0.02 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1vr3 n LEU 34 Cb 0.14 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1vr3 n LEU 34 CO 0.26 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1vr3 n GLY 35 N 1.18 0.71 3.65 -0.72 0.00 0.01 -4.80 105.19 105.22 1vr3 n GLY 35 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1vr3 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vr3 s VAL 36 N -2.47 4.99 0.19 1.61 1.01 -0.73 -4.19 120.40 120.81 1vr3 s VAL 36 Ca 0.00 1.23 0.08 0.00 0.00 0.00 0.00 61.98 63.29 1vr3 s VAL 36 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1vr3 s VAL 36 CO 0.00 0.08 -0.04 -0.76 0.00 0.00 0.00 175.10 174.38 1vr3 s LEU 37 N 2.09 3.16 -0.04 3.92 1.43 -0.85 -3.42 118.68 124.97 1vr3 s LEU 37 Ca 0.29 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1vr3 s LEU 37 Cb -0.16 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.27 1vr3 s LEU 37 CO 0.10 0.08 0.10 -0.47 0.23 0.00 0.00 176.35 176.39 1vr3 s TYR 38 N -1.80 -0.10 0.03 0.29 5.04 -1.26 -1.17 117.35 118.37 1vr3 s TYR 38 Ca 0.27 0.26 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 1vr3 s TYR 38 Cb -0.09 0.02 -0.02 0.00 0.35 0.00 0.00 41.96 42.23 1vr3 s TYR 38 CO 0.17 -0.06 -0.07 -1.58 -1.34 0.00 0.00 175.55 172.68 1vr3 s TRP 39 N 0.13 0.59 -0.19 4.97 0.51 -1.26 -5.01 118.94 118.67 1vr3 s TRP 39 Ca -0.01 -0.38 -0.06 0.00 -2.12 0.00 0.00 56.10 53.53 1vr3 s TRP 39 Cb -0.01 -0.36 -0.03 0.00 -0.81 0.00 0.00 33.47 32.25 1vr3 s TRP 39 CO -0.00 -0.07 0.03 0.21 -0.51 0.00 0.00 176.95 176.61 1vr3 s LYS 40 N -1.15 3.77 0.24 4.98 2.47 -1.26 -4.55 119.74 124.24 1vr3 s LYS 40 Ca -0.07 -0.45 0.04 0.00 -1.56 0.00 0.00 55.97 53.94 1vr3 s LYS 40 Cb -0.08 -3.13 -0.05 0.00 -1.46 0.00 0.00 37.83 33.11 1vr3 s LYS 40 CO 0.00 0.14 -0.02 -0.51 0.16 0.00 0.00 175.35 175.12 1vr3 s LEU 41 N 0.70 2.28 -0.63 5.43 1.43 0.39 -5.03 118.68 123.24 1vr3 s LEU 41 Ca 0.01 -1.21 -0.24 0.00 -1.03 0.00 0.00 54.13 51.67 1vr3 s LEU 41 Cb -0.14 -0.37 0.05 0.00 0.03 0.00 0.00 46.19 45.77 1vr3 s LEU 41 CO 0.02 -0.46 1.00 -0.62 0.23 0.00 0.00 176.35 176.52 1vr3 s ASP 42 N -3.34 6.23 0.53 2.29 -1.08 -1.26 -4.45 116.67 115.59 1vr3 s ASP 42 Ca 0.28 -0.67 0.34 0.00 -0.52 0.00 0.00 52.55 51.98 1vr3 s ASP 42 Cb 0.05 -2.44 1.55 0.00 -1.46 0.00 0.00 42.92 40.62 1vr3 s ASP 42 CO 0.09 -1.42 2.02 0.00 0.52 0.00 0.00 175.17 176.39 1vr3 h ALA 43 N 9.53 1.00 0.00 3.66 0.00 -1.89 -1.34 119.26 130.22 1vr3 h ALA 43 Ca -0.28 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1vr3 h ALA 43 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1vr3 h ALA 43 CO 1.16 0.00 -0.12 -0.44 0.00 0.00 0.00 179.25 179.85 1vr3 h ASP 44 N 0.00 0.00 -0.43 0.00 3.32 -1.91 -3.03 116.42 114.38 1vr3 h ASP 44 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vr3 h ASP 44 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1vr3 h ASP 44 CO 0.00 0.12 0.00 0.29 -1.72 0.00 0.00 179.24 177.93 1vr3 n LYS 45 N -3.52 2.96 0.24 3.56 5.02 -0.50 -4.66 118.16 121.25 1vr3 n LYS 45 Ca -0.01 -1.94 0.08 0.00 -2.02 0.00 0.00 58.31 54.41 1vr3 n LYS 45 Cb 0.27 -1.74 0.58 0.00 -0.02 0.00 0.00 35.03 34.12 1vr3 n LYS 45 CO 0.00 0.00 0.00 0.10 -0.52 0.00 0.00 177.40 176.98 1vr3 h TYR 46 N 2.74 0.00 0.00 2.13 -0.00 -1.67 -0.07 116.97 120.10 1vr3 h TYR 46 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 1vr3 h TYR 46 Cb 1.12 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.85 1vr3 h TYR 46 CO 0.55 0.16 -0.05 0.93 -0.00 0.00 0.00 178.16 179.75 1vr3 h GLU 47 N 0.00 0.00 -1.41 0.10 5.08 -1.88 -3.39 114.58 113.08 1vr3 h GLU 47 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1vr3 h GLU 47 Cb 0.32 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.34 1vr3 h GLU 47 CO 0.02 0.05 -0.63 1.21 -1.00 0.00 0.00 179.01 178.66 1vr3 s ASN 48 N -5.98 -0.58 -0.25 1.42 3.84 -0.07 -5.11 114.94 108.21 1vr3 s ASN 48 Ca 0.03 -2.08 -0.00 0.00 0.21 0.00 0.00 52.86 51.02 1vr3 s ASN 48 Cb 0.08 1.21 0.07 0.00 -0.55 0.00 0.00 41.25 42.06 1vr3 s ASN 48 CO 0.61 -0.09 0.01 -0.62 -2.79 0.00 0.00 177.10 174.22 1vr3 s ASP 49 N 0.69 3.75 0.54 -4.21 2.15 -1.02 -4.92 116.67 113.65 1vr3 s ASP 49 Ca 0.30 -1.28 0.23 0.00 0.43 0.00 0.00 52.55 52.23 1vr3 s ASP 49 Cb 0.01 -1.01 1.39 0.00 -0.30 0.00 0.00 42.92 43.01 1vr3 s ASP 49 CO -0.09 -0.31 2.05 -0.65 -0.17 0.00 0.00 175.17 176.00 1vr3 h PRO 50 N 8.02 0.00 -0.14 4.34 0.11 -1.99 -1.37 132.00 140.98 1vr3 h PRO 50 Ca -0.15 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.79 1vr3 h PRO 50 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1vr3 h PRO 50 CO 0.42 0.00 -0.60 0.93 -0.21 0.00 0.00 178.00 178.54 1vr3 h GLU 51 N 0.00 0.46 -0.50 1.05 4.39 -1.99 -1.67 114.58 116.32 1vr3 h GLU 51 Ca 0.17 -0.31 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 1vr3 h GLU 51 Cb 0.70 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1vr3 h GLU 51 CO -0.00 0.92 -0.16 1.25 -1.16 0.00 0.00 179.01 179.86 1vr3 h LEU 52 N 0.35 1.02 -0.98 1.33 5.85 -1.72 -3.00 115.31 118.15 1vr3 h LEU 52 Ca -0.00 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1vr3 h LEU 52 Cb 1.14 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1vr3 h LEU 52 CO 0.11 1.16 0.24 -0.08 -0.34 0.00 0.00 178.44 179.53 1vr3 h GLU 53 N 0.86 0.98 -0.86 1.25 4.57 -1.10 -0.81 114.58 119.46 1vr3 h GLU 53 Ca 0.12 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1vr3 h GLU 53 Cb 0.74 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 1vr3 h GLU 53 CO 0.06 0.81 0.56 0.87 -1.18 0.00 0.00 179.01 180.13 1vr3 h LYS 54 N 0.95 1.05 -0.14 1.92 1.57 -1.19 -0.57 116.57 120.17 1vr3 h LYS 54 Ca 0.22 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1vr3 h LYS 54 Cb 0.21 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1vr3 h LYS 54 CO -0.02 0.70 -0.05 0.82 -0.57 0.00 0.00 179.45 180.33 1vr3 h ILE 55 N 1.08 1.31 -0.69 1.86 2.04 -1.25 -3.23 117.51 118.63 1vr3 h ILE 55 Ca 0.34 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1vr3 h ILE 55 Cb 0.01 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1vr3 h ILE 55 CO -0.12 0.31 0.41 0.03 0.00 0.00 0.00 178.15 178.78 1vr3 h ARG 56 N -0.05 0.94 -1.01 2.37 3.08 -0.94 0.04 114.38 118.82 1vr3 h ARG 56 Ca 0.03 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1vr3 h ARG 56 Cb 0.51 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1vr3 h ARG 56 CO 0.02 0.68 0.00 1.63 -1.07 0.00 0.00 179.97 181.22 1vr3 n LYS 57 N -4.54 0.26 0.00 0.04 5.02 -0.24 -0.72 118.16 117.98 1vr3 n LYS 57 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1vr3 n LYS 57 Cb 0.06 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1vr3 n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vr3 n ARG 59 N 0.62 0.00 -2.24 1.97 5.12 -0.00 -4.80 116.66 117.34 1vr3 n ARG 59 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 1vr3 n ARG 59 Cb 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.39 1vr3 n ARG 59 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1vr3 n ASN 60 N 0.00 -3.68 -4.25 0.55 4.05 0.10 -4.91 115.26 107.12 1vr3 n ASN 60 Ca 0.00 -0.02 -0.43 0.00 0.45 0.00 0.00 54.58 54.58 1vr3 n ASN 60 Cb 0.00 -2.90 0.00 0.00 1.23 0.00 0.00 39.78 38.11 1vr3 n ASN 60 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1vr3 n TYR 61 N -4.01 4.21 1.11 1.20 4.01 -0.45 -4.16 117.16 119.07 1vr3 n TYR 61 Ca -0.13 -3.02 0.14 0.00 -0.16 0.00 0.00 57.90 54.73 1vr3 n TYR 61 Cb 0.60 -2.35 0.62 0.00 -0.31 0.00 0.00 39.34 37.90 1vr3 n TYR 61 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1vr3 n SER 62 N 6.21 0.06 -4.48 7.72 3.41 -0.94 -4.77 113.62 120.84 1vr3 n SER 62 Ca 0.44 0.26 -0.23 0.00 -0.26 0.00 0.00 58.87 59.08 1vr3 n SER 62 Cb 0.42 -0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 63.88 1vr3 n SER 62 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1vr3 s TRP 63 N -2.89 2.07 0.12 7.33 -0.00 -0.89 -4.89 118.94 119.79 1vr3 s TRP 63 Ca 0.17 -0.88 -0.25 0.00 -0.00 0.00 0.00 56.10 55.15 1vr3 s TRP 63 Cb 0.19 -1.36 0.08 0.00 -0.00 0.00 0.00 33.47 32.39 1vr3 s TRP 63 CO 0.53 0.12 1.11 0.16 -0.00 0.00 0.00 176.95 178.87 1vr3 s ASP 65 N -3.52 -0.02 -0.07 5.86 -4.77 -0.42 -1.07 116.67 112.66 1vr3 s ASP 65 Ca 0.36 -0.49 0.05 0.00 -3.30 0.00 0.00 52.55 49.16 1vr3 s ASP 65 Cb 0.09 0.38 -0.00 0.00 -1.09 0.00 0.00 42.92 42.30 1vr3 s ASP 65 CO 0.16 -0.76 -0.21 -0.63 0.70 0.00 0.00 175.17 174.43 1vr3 s ILE 66 N -2.27 1.75 0.03 2.11 -1.09 -1.26 -0.72 121.20 119.75 1vr3 s ILE 66 Ca 0.22 -0.88 0.07 0.00 -2.23 0.00 0.00 60.65 57.83 1vr3 s ILE 66 Cb -0.01 -1.51 -0.02 0.00 -1.58 0.00 0.00 42.46 39.34 1vr3 s ILE 66 CO 0.03 0.49 -0.20 -0.51 -1.23 0.00 0.00 174.94 173.52 1vr3 s ILE 67 N 0.13 1.59 -0.13 2.92 1.10 -0.21 -4.97 121.20 121.63 1vr3 s ILE 67 Ca -0.09 -1.08 0.02 0.00 -0.51 0.00 0.00 60.65 58.98 1vr3 s ILE 67 Cb -0.14 -1.37 0.02 0.00 0.15 0.00 0.00 42.46 41.12 1vr3 s ILE 67 CO 0.05 0.25 -0.17 -0.89 -2.11 0.00 0.00 174.94 172.07 1vr3 s THR 68 N -0.71 1.67 -0.34 4.00 2.01 -1.26 -1.03 115.64 119.98 1vr3 s THR 68 Ca 0.07 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1vr3 s THR 68 Cb -0.08 -1.52 0.04 0.00 0.01 0.00 0.00 72.50 70.94 1vr3 s THR 68 CO 0.01 0.48 0.12 -0.63 -0.69 0.00 0.00 174.62 173.91 1vr3 s ILE 69 N 1.09 3.95 -0.08 1.82 1.01 0.47 -4.49 121.20 124.97 1vr3 s ILE 69 Ca -0.03 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1vr3 s ILE 69 Cb -0.14 -3.22 0.10 0.00 0.01 0.00 0.00 42.46 39.20 1vr3 s ILE 69 CO -0.05 -0.18 0.84 0.00 0.00 0.00 0.00 174.94 175.56 1vr3 n LYS 71 N 0.57 -0.06 -0.07 0.00 4.01 -1.26 -2.25 118.16 119.09 1vr3 n LYS 71 Ca -0.14 1.24 -0.12 0.00 -0.51 0.00 0.00 58.31 58.79 1vr3 n LYS 71 Cb 0.59 -2.03 -0.09 0.00 -0.51 0.00 0.00 35.03 32.99 1vr3 n LYS 71 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1vr3 h ASP 72 N 0.00 0.00 0.33 4.39 3.32 -1.97 -3.39 116.42 119.09 1vr3 h ASP 72 Ca 0.57 -0.58 -0.25 0.00 0.02 0.00 0.00 57.03 56.79 1vr3 h ASP 72 Cb 1.28 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.84 1vr3 h ASP 72 CO -0.76 0.97 -1.05 0.71 -1.72 0.00 0.00 179.24 177.39 1vr3 h THR 73 N -1.00 1.39 -3.15 0.35 1.35 -1.87 -3.45 112.91 106.52 1vr3 h THR 73 Ca -0.08 -2.54 -0.55 0.00 -0.55 0.00 0.00 66.41 62.69 1vr3 h THR 73 Cb 0.80 2.55 -0.03 0.00 -1.73 0.00 0.00 68.15 69.74 1vr3 h THR 73 CO -0.05 0.76 0.65 -0.22 -0.25 0.00 0.00 175.52 176.41 1vr3 s LEU 74 N -7.68 4.27 0.21 3.87 2.96 -0.96 -5.00 118.68 116.35 1vr3 s LEU 74 Ca -0.06 1.71 -0.30 0.00 -0.22 0.00 0.00 54.13 55.26 1vr3 s LEU 74 Cb 0.08 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.13 1vr3 s LEU 74 CO 0.89 -0.53 1.07 -2.84 -1.32 0.00 0.00 176.35 173.61 1vr3 s PRO 75 N 2.12 4.65 -1.14 0.98 0.02 -1.26 -3.27 135.00 137.11 1vr3 s PRO 75 Ca 0.53 1.69 -0.04 0.00 0.02 0.00 0.00 61.00 63.21 1vr3 s PRO 75 Cb -0.22 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1vr3 s PRO 75 CO 0.20 0.19 0.97 -1.71 -0.33 0.00 0.00 177.00 176.32 1vr3 n ASN 76 N 1.94 -3.75 0.24 2.53 5.15 -1.26 -4.90 115.26 115.20 1vr3 n ASN 76 Ca 0.01 -0.52 -0.15 0.00 -0.60 0.00 0.00 54.58 53.32 1vr3 n ASN 76 Cb 0.46 -4.61 -0.08 0.00 -0.53 0.00 0.00 39.78 35.02 1vr3 n ASN 76 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1vr3 h TYR 77 N -2.02 -0.54 -0.69 1.20 3.20 -1.90 -1.80 116.97 114.42 1vr3 h TYR 77 Ca -0.52 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.35 1vr3 h TYR 77 Cb 1.32 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.73 1vr3 h TYR 77 CO 0.42 -0.26 0.46 0.93 -1.64 0.00 0.00 178.16 178.07 1vr3 h GLU 78 N -0.75 0.87 0.02 1.82 4.39 -1.92 -0.61 114.58 118.41 1vr3 h GLU 78 Ca -0.06 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1vr3 h GLU 78 Cb 0.53 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1vr3 h GLU 78 CO 0.10 0.58 -0.01 1.49 -1.16 0.00 0.00 179.01 180.01 1vr3 h GLU 79 N 0.90 -0.02 -0.80 2.33 4.57 -1.95 -2.81 114.58 116.79 1vr3 h GLU 79 Ca 0.26 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.55 1vr3 h GLU 79 Cb -0.04 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.48 1vr3 h GLU 79 CO -0.06 0.52 0.44 0.87 -1.18 0.00 0.00 179.01 179.59 1vr3 h LYS 80 N -0.58 0.70 -0.54 1.92 6.56 -1.01 -2.68 116.57 120.93 1vr3 h LYS 80 Ca -0.00 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.52 1vr3 h LYS 80 Cb 0.55 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.03 1vr3 h LYS 80 CO 0.00 0.46 0.22 0.82 -2.06 0.00 0.00 179.45 178.90 1vr3 h ILE 81 N 0.72 1.22 0.00 1.86 5.03 -1.17 0.21 117.51 125.37 1vr3 h ILE 81 Ca 0.40 -0.67 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1vr3 h ILE 81 Cb 0.41 0.65 0.00 0.00 -3.03 0.00 0.00 36.82 34.85 1vr3 h ILE 81 CO -0.27 0.26 0.00 1.17 -0.68 0.00 0.00 178.15 178.63 1vr3 n LYS 82 N -4.52 0.00 0.00 2.37 3.00 -1.01 -2.83 118.16 115.17 1vr3 n LYS 82 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1vr3 n LYS 82 Cb 0.16 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.22 1vr3 n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1vr3 n PHE 84 N 0.41 0.00 1.10 5.64 3.72 0.06 -2.79 117.46 125.59 1vr3 n PHE 84 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1vr3 n PHE 84 Cb 0.00 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 38.88 1vr3 n PHE 84 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1vr3 n PHE 85 N 0.00 0.00 -2.25 1.38 7.35 -1.13 -1.02 117.46 121.79 1vr3 n PHE 85 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1vr3 n PHE 85 Cb 0.00 -0.23 -0.03 0.00 0.35 0.00 0.00 39.48 39.57 1vr3 n PHE 85 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1vr3 s GLU 86 N -2.83 4.40 0.13 -4.13 2.02 -1.12 -4.72 118.70 112.45 1vr3 s GLU 86 Ca 0.16 2.00 -0.31 0.00 0.02 0.00 0.00 54.97 56.84 1vr3 s GLU 86 Cb 0.18 -3.23 -0.10 0.00 0.10 0.00 0.00 34.13 31.09 1vr3 s GLU 86 CO 0.62 -0.26 1.64 -2.00 0.02 0.00 0.00 175.26 175.29 1vr3 s GLU 87 N 0.19 4.19 0.27 1.61 2.12 -1.26 -4.67 118.70 121.15 1vr3 s GLU 87 Ca 0.58 2.40 -0.16 0.00 0.36 0.00 0.00 54.97 58.14 1vr3 s GLU 87 Cb -0.35 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.67 1vr3 s GLU 87 CO 0.36 -0.70 0.60 -3.38 -0.54 0.00 0.00 175.26 171.60 1vr3 s HIS 88 N 1.93 0.15 0.25 5.30 -3.43 -0.27 -1.40 115.29 117.81 1vr3 s HIS 88 Ca 0.73 -0.56 0.03 0.00 -0.80 0.00 0.00 55.06 54.46 1vr3 s HIS 88 Cb -0.43 0.43 -0.05 0.00 -1.43 0.00 0.00 32.58 31.10 1vr3 s HIS 88 CO 0.32 -1.13 0.03 -0.48 -2.00 0.00 0.00 174.74 171.47 1vr3 s LEU 89 N -2.99 2.07 0.21 5.38 0.05 -0.56 -0.92 118.68 121.94 1vr3 s LEU 89 Ca 0.18 -1.28 0.10 0.00 0.05 0.00 0.00 54.13 53.18 1vr3 s LEU 89 Cb -0.03 -0.22 -0.05 0.00 -2.05 0.00 0.00 46.19 43.84 1vr3 s LEU 89 CO 0.09 -0.57 -0.18 -1.00 -0.55 0.00 0.00 176.35 174.13 1vr3 s HIS 90 N -3.47 1.97 -2.16 3.48 3.76 -1.26 -1.31 115.29 116.29 1vr3 s HIS 90 Ca 0.31 -0.45 0.22 0.00 -0.15 0.00 0.00 55.06 55.00 1vr3 s HIS 90 Cb 0.07 -0.92 1.09 0.00 1.11 0.00 0.00 32.58 33.92 1vr3 s HIS 90 CO 0.11 0.47 1.73 1.28 -0.85 0.00 0.00 174.74 177.47 1vr3 n LEU 91 N -0.16 0.76 -4.25 0.89 4.77 -1.26 -1.80 117.00 115.94 1vr3 n LEU 91 Ca -0.09 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.45 1vr3 n LEU 91 Cb 0.59 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1vr3 n LEU 91 CO 0.33 0.15 -0.25 -1.81 -1.33 0.00 0.00 177.39 174.49 1vr3 s ASP 92 N -1.69 0.62 0.54 -1.43 1.01 -1.26 -4.86 116.67 109.61 1vr3 s ASP 92 Ca 0.33 -1.38 -0.21 0.00 0.71 0.00 0.00 52.55 52.00 1vr3 s ASP 92 Cb 0.17 0.28 -0.05 0.00 1.01 0.00 0.00 42.92 44.33 1vr3 s ASP 92 CO 0.27 -0.79 1.32 -1.61 0.21 0.00 0.00 175.17 174.57 1vr3 s GLU 93 N -4.10 3.17 -0.32 8.23 2.02 -1.26 -3.79 118.70 122.65 1vr3 s GLU 93 Ca 0.38 2.14 -0.05 0.00 0.02 0.00 0.00 54.97 57.46 1vr3 s GLU 93 Cb 0.07 -2.23 0.03 0.00 0.10 0.00 0.00 34.13 32.11 1vr3 s GLU 93 CO 0.13 -1.14 0.07 -2.00 0.02 0.00 0.00 175.26 172.34 1vr3 s GLU 94 N -2.93 2.71 -0.16 1.61 2.12 -0.29 -4.93 118.70 116.82 1vr3 s GLU 94 Ca 0.72 -1.11 0.01 0.00 0.36 0.00 0.00 54.97 54.95 1vr3 s GLU 94 Cb -0.38 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.65 1vr3 s GLU 94 CO 0.45 -0.59 -0.18 0.42 -0.54 0.00 0.00 175.26 174.81 1vr3 s ILE 95 N 1.39 2.35 -0.02 -3.70 1.01 -1.26 -0.42 121.20 120.56 1vr3 s ILE 95 Ca -0.01 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1vr3 s ILE 95 Cb -0.19 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.32 1vr3 s ILE 95 CO 0.02 0.53 -0.02 -0.13 0.00 0.00 0.00 174.94 175.33 1vr3 s ARG 96 N 0.95 0.32 -0.21 2.79 1.81 -0.60 -2.00 118.95 122.01 1vr3 s ARG 96 Ca -0.03 -0.04 0.02 0.00 -1.72 0.00 0.00 55.73 53.96 1vr3 s ARG 96 Cb -0.15 -0.39 0.04 0.00 -0.45 0.00 0.00 34.95 34.01 1vr3 s ARG 96 CO -0.04 -0.02 -0.14 -0.47 -0.68 0.00 0.00 175.30 173.95 1vr3 s TYR 97 N 0.43 2.82 -0.24 -0.53 5.04 -1.26 -0.59 117.35 123.01 1vr3 s TYR 97 Ca -0.04 -1.85 -0.27 0.00 -2.44 0.00 0.00 57.07 52.47 1vr3 s TYR 97 Cb -0.07 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.41 1vr3 s TYR 97 CO -0.01 -0.81 0.93 0.42 -1.34 0.00 0.00 175.55 174.74 1vr3 s ILE 98 N 1.26 4.76 -0.18 3.14 -1.09 -0.01 -4.35 121.20 124.73 1vr3 s ILE 98 Ca -0.02 1.77 0.04 0.00 -2.23 0.00 0.00 60.65 60.22 1vr3 s ILE 98 Cb -0.16 -4.21 -0.22 0.00 -1.58 0.00 0.00 42.46 36.29 1vr3 s ILE 98 CO -0.09 -0.13 0.11 0.18 -1.23 0.00 0.00 174.94 173.78 1vr3 n LEU 99 N 6.17 2.01 -3.78 2.97 4.77 0.57 -0.38 117.00 129.33 1vr3 n LEU 99 Ca 0.08 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1vr3 n LEU 99 Cb 0.47 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1vr3 n LEU 99 CO 0.50 0.76 -0.00 -1.61 -1.33 0.00 0.00 177.39 175.70 1vr3 s GLU 100 N -2.54 0.84 3.33 3.23 0.41 -0.94 -4.73 118.70 118.30 1vr3 s GLU 100 Ca -0.22 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 1vr3 s GLU 100 Cb 0.08 0.36 0.00 0.00 -1.78 0.00 0.00 34.13 32.78 1vr3 s GLU 100 CO 0.72 -0.28 0.00 0.41 -0.49 0.00 0.00 175.26 175.62 1vr3 n GLY 101 N 0.28 0.05 3.60 -1.39 0.00 -1.26 -1.18 105.19 105.28 1vr3 n GLY 101 Ca -0.17 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 1vr3 n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vr3 s SER 102 N -4.00 -0.17 0.00 1.61 1.04 -0.55 -3.21 113.70 108.42 1vr3 s SER 102 Ca 0.00 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 1vr3 s SER 102 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1vr3 s SER 102 CO 0.00 -0.40 0.03 0.61 0.98 0.00 0.00 173.24 174.47 1vr3 n GLY 103 N -0.25 1.11 3.11 7.32 0.00 -1.26 -4.18 105.19 111.03 1vr3 n GLY 103 Ca -0.04 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 1vr3 n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vr3 s TYR 104 N -5.12 1.91 -0.20 1.61 2.02 0.58 -4.49 117.35 113.67 1vr3 s TYR 104 Ca 0.01 -0.74 -0.05 0.00 -0.37 0.00 0.00 57.07 55.91 1vr3 s TYR 104 Cb -0.00 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1vr3 s TYR 104 CO 0.00 -0.33 0.00 -0.06 -1.57 0.00 0.00 175.55 173.59 1vr3 s PHE 105 N 0.51 3.05 -0.10 2.71 0.40 -0.59 -1.41 117.98 122.55 1vr3 s PHE 105 Ca -0.16 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1vr3 s PHE 105 Cb -0.17 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 1vr3 s PHE 105 CO 0.06 -0.20 0.01 -0.51 0.70 0.00 0.00 175.22 175.28 1vr3 s ASP 106 N 0.92 5.31 0.07 1.36 1.01 -0.08 -0.21 116.67 125.04 1vr3 s ASP 106 Ca 0.01 0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.44 1vr3 s ASP 106 Cb -0.14 -1.59 -0.03 0.00 1.01 0.00 0.00 42.92 42.17 1vr3 s ASP 106 CO 0.02 0.34 -0.11 0.68 0.21 0.00 0.00 175.17 176.31 1vr3 s VAL 107 N -0.65 0.87 0.10 -1.27 -7.23 0.11 -1.58 120.40 110.73 1vr3 s VAL 107 Ca 0.11 -1.36 -0.25 0.00 -1.81 0.00 0.00 61.98 58.66 1vr3 s VAL 107 Cb -0.12 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.72 1vr3 s VAL 107 CO 0.02 -0.40 0.79 -0.13 -0.31 0.00 0.00 175.10 175.07 1vr3 s ARG 108 N -2.10 4.54 0.42 4.82 1.81 -0.96 -0.47 118.95 127.00 1vr3 s ARG 108 Ca -0.02 1.13 -0.04 0.00 -1.72 0.00 0.00 55.73 55.09 1vr3 s ARG 108 Cb -0.07 -3.33 0.09 0.00 -0.45 0.00 0.00 34.95 31.19 1vr3 s ARG 108 CO 0.01 0.39 0.57 -0.40 -0.68 0.00 0.00 175.30 175.18 1vr3 n ASP 109 N 2.35 0.38 0.28 0.23 5.75 0.34 -4.87 116.55 121.01 1vr3 n ASP 109 Ca -0.03 -1.41 0.16 0.00 -0.01 0.00 0.00 54.79 53.50 1vr3 n ASP 109 Cb 0.50 -0.40 0.76 0.00 -1.03 0.00 0.00 41.12 40.94 1vr3 n ASP 109 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1vr3 h LYS 110 N 0.00 0.00 -0.64 0.11 1.57 -1.98 -0.12 116.57 115.52 1vr3 h LYS 110 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1vr3 h LYS 110 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1vr3 h LYS 110 CO 0.16 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.49 1vr3 n GLU 111 N -3.24 3.37 -2.69 3.15 4.71 -1.26 -4.94 120.64 119.75 1vr3 n GLU 111 Ca -0.01 -2.44 -0.19 0.00 -0.01 0.00 0.00 57.16 54.51 1vr3 n GLU 111 Cb 0.27 -1.82 0.02 0.00 -1.01 0.00 0.00 31.44 28.89 1vr3 n GLU 111 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1vr3 n ASP 112 N 0.92 -5.46 -4.87 1.62 8.00 -0.06 -5.01 116.55 111.68 1vr3 n ASP 112 Ca 0.22 -0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 1vr3 n ASP 112 Cb 0.79 -4.38 -0.05 0.00 -0.02 0.00 0.00 41.12 37.45 1vr3 n ASP 112 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vr3 s LYS 113 N -5.29 3.31 0.03 -1.24 1.02 -1.26 -4.78 119.74 111.53 1vr3 s LYS 113 Ca 0.16 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 1vr3 s LYS 113 Cb -0.07 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1vr3 s LYS 113 CO 0.20 0.65 1.10 -1.58 -0.92 0.00 0.00 175.35 174.80 1vr3 s TRP 114 N -1.34 3.53 -0.11 3.18 0.23 -1.26 -0.50 118.94 122.65 1vr3 s TRP 114 Ca 0.28 1.47 -0.01 0.00 -2.03 0.00 0.00 56.10 55.82 1vr3 s TRP 114 Cb -0.13 -3.29 -0.02 0.00 0.03 0.00 0.00 33.47 30.06 1vr3 s TRP 114 CO 0.20 -0.72 -0.09 0.42 0.96 0.00 0.00 176.95 177.72 1vr3 s ILE 115 N 1.09 3.48 -0.19 2.03 1.01 0.38 -4.51 121.20 124.48 1vr3 s ILE 115 Ca 0.56 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1vr3 s ILE 115 Cb -0.26 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1vr3 s ILE 115 CO 0.28 0.54 0.07 -0.60 0.00 0.00 0.00 174.94 175.24 1vr3 s ARG 116 N -0.06 3.96 -0.25 2.79 3.52 0.68 -0.72 118.95 128.88 1vr3 s ARG 116 Ca -0.01 -0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 55.20 1vr3 s ARG 116 Cb -0.14 -3.25 -0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1vr3 s ARG 116 CO 0.03 0.22 0.01 0.42 -0.81 0.00 0.00 175.30 175.18 1vr3 s ILE 117 N 0.52 3.65 0.72 4.11 1.01 0.71 -0.74 121.20 131.17 1vr3 s ILE 117 Ca 0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1vr3 s ILE 117 Cb -0.13 -2.76 0.10 0.00 0.01 0.00 0.00 42.46 39.68 1vr3 s ILE 117 CO 0.01 0.27 1.01 -0.55 0.00 0.00 0.00 174.94 175.68 1vr3 s SER 118 N 1.49 4.48 0.00 3.58 0.15 -0.30 -1.54 113.70 121.56 1vr3 s SER 118 Ca 0.04 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1vr3 s SER 118 Cb -0.16 -0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1vr3 s SER 118 CO -0.01 -1.78 0.00 -0.62 1.20 0.00 0.00 173.24 172.04 1vr3 n GLU 120 N -2.91 -2.64 -1.65 5.44 1.02 -1.26 -4.23 120.64 114.41 1vr3 n GLU 120 Ca 0.12 0.00 -0.50 0.00 -0.02 0.00 0.00 57.16 56.75 1vr3 n GLU 120 Cb 0.60 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.97 1vr3 n GLU 120 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1vr3 n LYS 121 N -0.56 1.68 0.00 3.49 4.81 -1.20 -1.02 118.16 125.37 1vr3 n LYS 121 Ca 0.00 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1vr3 n LYS 121 Cb 0.00 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 32.71 1vr3 n LYS 121 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vr3 n GLY 122 N 3.45 1.62 3.46 3.14 0.00 0.49 -4.91 105.19 112.44 1vr3 n GLY 122 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1vr3 n GLY 122 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vr3 n ASP 123 N 0.00 0.70 0.00 1.61 8.00 -0.19 -0.47 116.55 126.20 1vr3 n ASP 123 Ca 0.00 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1vr3 n ASP 123 Cb 0.00 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1vr3 n ASP 123 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vr3 n ILE 125 N -3.13 0.00 -4.92 0.53 3.06 0.24 -0.83 119.36 114.30 1vr3 n ILE 125 Ca 0.15 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 60.09 1vr3 n ILE 125 Cb 0.52 0.00 -0.17 0.00 0.54 0.00 0.00 39.64 40.54 1vr3 n ILE 125 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1vr3 s THR 126 N -1.55 1.88 -0.23 9.51 -1.32 -0.32 -1.55 115.64 122.07 1vr3 s THR 126 Ca 0.00 -0.90 -0.10 0.00 -1.21 0.00 0.00 61.69 59.48 1vr3 s THR 126 Cb 0.00 -1.65 -0.05 0.00 -1.51 0.00 0.00 72.50 69.29 1vr3 s THR 126 CO 0.00 0.52 0.14 -0.76 -2.21 0.00 0.00 174.62 172.31 1vr3 s LEU 127 N 0.57 4.09 0.58 9.08 1.43 0.44 -2.01 118.68 132.86 1vr3 s LEU 127 Ca -0.14 0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 1vr3 s LEU 127 Cb -0.17 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1vr3 s LEU 127 CO 0.04 0.09 1.09 -2.16 0.23 0.00 0.00 176.35 175.65 1vr3 s PRO 128 N 0.88 3.26 0.25 1.29 0.04 -1.26 -1.14 135.00 138.32 1vr3 s PRO 128 Ca 0.07 1.43 -0.31 0.00 0.04 0.00 0.00 61.00 62.23 1vr3 s PRO 128 Cb -0.13 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.27 1vr3 s PRO 128 CO 0.03 -0.89 1.34 0.00 0.04 0.00 0.00 177.00 177.52 1vr3 n ALA 129 N -1.72 0.86 0.00 8.56 0.00 -1.25 -2.24 120.51 124.73 1vr3 n ALA 129 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1vr3 n ALA 129 Cb 0.52 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1vr3 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vr3 n GLY 130 N 1.92 2.55 3.74 0.00 0.00 -0.74 -4.64 105.19 108.01 1vr3 n GLY 130 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1vr3 n GLY 130 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vr3 s ILE 131 N -2.52 3.84 -0.05 -0.61 2.07 -0.95 -4.75 121.20 118.24 1vr3 s ILE 131 Ca 0.00 1.59 -0.29 0.00 -1.41 0.00 0.00 60.65 60.54 1vr3 s ILE 131 Cb 0.00 -4.02 -0.02 0.00 0.13 0.00 0.00 42.46 38.55 1vr3 s ILE 131 CO 0.00 0.28 0.97 -0.31 -1.91 0.00 0.00 174.94 173.97 1vr3 s TYR 132 N -0.26 3.59 0.30 3.50 2.02 -1.26 -4.29 117.35 120.96 1vr3 s TYR 132 Ca 0.49 1.62 -0.16 0.00 -0.37 0.00 0.00 57.07 58.66 1vr3 s TYR 132 Cb -0.30 -3.13 0.02 0.00 -0.40 0.00 0.00 41.96 38.15 1vr3 s TYR 132 CO 0.35 -0.10 0.65 -3.38 -1.57 0.00 0.00 175.55 171.50 1vr3 s HIS 133 N 1.43 0.16 0.24 2.71 -3.43 -0.09 -2.27 115.29 114.04 1vr3 s HIS 133 Ca 0.49 -0.62 -0.22 0.00 -0.80 0.00 0.00 55.06 53.92 1vr3 s HIS 133 Cb -0.20 0.52 0.04 0.00 -1.43 0.00 0.00 32.58 31.51 1vr3 s HIS 133 CO 0.23 -1.24 0.71 -0.98 -2.00 0.00 0.00 174.74 171.46 1vr3 s ARG 134 N -3.50 1.62 -0.00 -0.38 1.70 -0.62 -1.12 118.95 116.66 1vr3 s ARG 134 Ca 0.17 -0.84 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 1vr3 s ARG 134 Cb -0.04 0.59 -0.00 0.00 -0.57 0.00 0.00 34.95 34.93 1vr3 s ARG 134 CO 0.10 -0.74 -0.03 0.12 -1.08 0.00 0.00 175.30 173.67 1vr3 s PHE 135 N -3.83 0.29 0.02 5.89 5.36 -0.19 -0.91 117.98 124.61 1vr3 s PHE 135 Ca 0.09 -0.07 -0.06 0.00 -0.96 0.00 0.00 56.93 55.93 1vr3 s PHE 135 Cb -0.05 -0.19 -0.01 0.00 -0.34 0.00 0.00 43.02 42.44 1vr3 s PHE 135 CO 0.02 -0.01 0.10 -0.08 -1.46 0.00 0.00 175.22 173.79 1vr3 s THR 136 N -0.13 0.10 0.79 0.12 -1.32 -0.50 -2.93 115.64 111.77 1vr3 s THR 136 Ca 0.01 -0.86 -0.12 0.00 -1.21 0.00 0.00 61.69 59.51 1vr3 s THR 136 Cb -0.02 -0.57 0.07 0.00 -1.51 0.00 0.00 72.50 70.48 1vr3 s THR 136 CO -0.00 -0.47 1.13 -0.76 -2.21 0.00 0.00 174.62 172.31 1vr3 s LEU 137 N -1.65 3.09 0.00 9.08 1.43 -1.26 -0.31 118.68 129.06 1vr3 s LEU 137 Ca -0.12 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1vr3 s LEU 137 Cb -0.06 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.61 1vr3 s LEU 137 CO -0.01 -2.31 0.00 -0.90 0.23 0.00 0.00 176.35 173.36 1vr3 n ASP 138 N -3.39 0.00 0.18 2.29 5.68 -1.26 -4.40 116.55 115.66 1vr3 n ASP 138 Ca 0.11 -0.67 0.14 0.00 -0.50 0.00 0.00 54.79 53.86 1vr3 n ASP 138 Cb 0.52 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.12 1vr3 n ASP 138 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1vr3 h GLU 139 N 0.00 0.00 0.00 0.11 5.08 -1.94 -0.22 114.58 117.62 1vr3 h GLU 139 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vr3 h GLU 139 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1vr3 h GLU 139 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1vr3 n LYS 140 N -2.46 0.04 -3.83 2.33 5.02 -1.26 -4.96 118.16 113.04 1vr3 n LYS 140 Ca 0.00 0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 56.09 1vr3 n LYS 140 Cb 0.18 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1vr3 n LYS 140 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1vr3 n ASN 141 N -1.61 -4.53 -3.64 4.39 3.02 -0.09 -4.97 115.26 107.82 1vr3 n ASN 141 Ca 0.06 -0.74 -0.07 0.00 -0.03 0.00 0.00 54.58 53.79 1vr3 n ASN 141 Cb 0.32 -4.12 -0.07 0.00 -0.61 0.00 0.00 39.78 35.30 1vr3 n ASN 141 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1vr3 s TYR 142 N -3.36 -1.04 -0.11 3.10 5.04 -1.26 -4.62 117.35 115.11 1vr3 s TYR 142 Ca 0.55 2.10 -0.10 0.00 -2.44 0.00 0.00 57.07 57.19 1vr3 s TYR 142 Cb -0.27 0.61 0.03 0.00 0.35 0.00 0.00 41.96 42.67 1vr3 s TYR 142 CO 0.81 -0.51 0.28 0.54 -1.34 0.00 0.00 175.55 175.33 1vr3 s VAL 143 N 1.54 -0.00 -0.16 3.14 0.11 -1.07 -1.48 120.40 122.47 1vr3 s VAL 143 Ca -0.09 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1vr3 s VAL 143 Cb -0.05 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1vr3 s VAL 143 CO -0.18 0.00 -0.18 -0.75 -3.33 0.00 0.00 175.10 170.66 1vr3 s LYS 144 N 0.21 3.11 0.00 1.54 2.20 -0.32 -0.40 119.74 126.08 1vr3 s LYS 144 Ca -0.00 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1vr3 s LYS 144 Cb -0.02 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 1vr3 s LYS 144 CO -0.00 -0.07 0.00 0.00 -0.36 0.00 0.00 175.35 174.92 1vr3 n ALA 145 N 4.28 0.00 -3.64 3.13 0.00 -0.20 -0.31 120.51 123.76 1vr3 n ALA 145 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 1vr3 n ALA 145 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 1vr3 n ALA 145 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vr3 s ARG 147 N 4.94 0.62 0.29 0.00 0.52 0.10 -1.04 118.95 124.38 1vr3 s ARG 147 Ca 0.00 1.07 0.11 0.00 -0.52 0.00 0.00 55.73 56.39 1vr3 s ARG 147 Cb 0.00 0.11 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 1vr3 s ARG 147 CO 0.00 -0.15 -0.14 -0.51 0.02 0.00 0.00 175.30 174.52 1vr3 s LEU 148 N 1.44 2.73 -0.09 2.53 1.02 -0.85 -1.30 118.68 124.17 1vr3 s LEU 148 Ca -0.09 -0.97 -0.20 0.00 0.02 0.00 0.00 54.13 52.88 1vr3 s LEU 148 Cb -0.06 -1.21 0.05 0.00 0.02 0.00 0.00 46.19 44.98 1vr3 s LEU 148 CO -0.16 -0.00 0.48 0.12 0.02 0.00 0.00 176.35 176.81 1vr3 s PHE 149 N -2.49 -0.45 -0.83 0.29 2.19 -0.24 -4.18 117.98 112.27 1vr3 s PHE 149 Ca 0.31 0.92 -0.26 0.00 0.33 0.00 0.00 56.93 58.23 1vr3 s PHE 149 Cb -0.04 0.22 0.03 0.00 -1.31 0.00 0.00 43.02 41.91 1vr3 s PHE 149 CO 0.16 -0.40 1.41 0.08 1.83 0.00 0.00 175.22 178.30 1vr3 s VAL 150 N -0.68 3.74 0.00 3.12 1.01 -1.26 -2.09 120.40 124.24 1vr3 s VAL 150 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1vr3 s VAL 150 Cb -0.03 -4.84 0.00 0.00 0.00 0.00 0.00 36.38 31.51 1vr3 s VAL 150 CO 0.04 -1.76 0.00 0.61 0.00 0.00 0.00 175.10 173.99 1vr3 n GLY 151 N 5.95 -1.91 3.73 4.51 0.00 -1.26 -4.88 105.19 111.34 1vr3 n GLY 151 Ca 0.16 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1vr3 n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vr3 s GLU 152 N 0.00 4.26 0.42 1.61 0.41 -1.26 -4.44 118.70 119.70 1vr3 s GLU 152 Ca 0.00 2.28 -0.23 0.00 -0.41 0.00 0.00 54.97 56.61 1vr3 s GLU 152 Cb 0.00 -3.14 -0.08 0.00 -1.78 0.00 0.00 34.13 29.12 1vr3 s GLU 152 CO 0.00 -0.47 1.09 -1.25 -0.49 0.00 0.00 175.26 174.14 1vr3 s PRO 153 N 0.26 4.02 -0.12 0.39 0.04 -1.26 -5.05 135.00 133.27 1vr3 s PRO 153 Ca 0.63 1.59 -0.00 0.00 0.04 0.00 0.00 61.00 63.26 1vr3 s PRO 153 Cb -0.42 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1vr3 s PRO 153 CO 0.38 -0.29 -0.09 0.08 0.04 0.00 0.00 177.00 177.12 1vr3 s VAL 154 N -1.63 1.16 -2.07 -0.36 1.01 -1.26 -5.05 120.40 112.19 1vr3 s VAL 154 Ca 0.60 -0.37 0.25 0.00 0.00 0.00 0.00 61.98 62.46 1vr3 s VAL 154 Cb -0.24 -1.14 0.22 0.00 0.00 0.00 0.00 36.38 35.22 1vr3 s VAL 154 CO 0.30 0.39 1.42 0.79 0.00 0.00 0.00 175.10 177.99 1vr3 n TRP 155 N 4.86 0.00 -1.69 5.22 7.02 -1.26 -4.94 117.44 126.64 1vr3 n TRP 155 Ca -0.14 0.00 -0.54 0.00 -1.02 0.00 0.00 57.50 55.81 1vr3 n TRP 155 Cb 0.50 -0.05 -0.06 0.00 -2.42 0.00 0.00 31.31 29.27 1vr3 n TRP 155 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1vr3 n THR 156 N -0.14 0.35 -3.19 -0.99 -1.04 -1.26 -4.97 114.28 103.05 1vr3 n THR 156 Ca 0.12 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.05 61.74 1vr3 n THR 156 Cb 0.41 -1.41 -0.06 0.00 -1.82 0.00 0.00 70.33 67.45 1vr3 n THR 156 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1vr3 s PRO 157 N 3.34 4.02 -0.28 -2.82 0.04 -1.26 -4.62 135.00 133.41 1vr3 s PRO 157 Ca 0.95 0.64 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1vr3 s PRO 157 Cb -0.92 -2.59 0.07 0.00 0.04 0.00 0.00 34.50 31.10 1vr3 s PRO 157 CO 0.58 0.25 -0.06 0.71 0.04 0.00 0.00 177.00 178.53 1vr3 s TYR 158 N -1.82 3.36 0.27 0.56 2.02 -0.43 -4.96 117.35 116.34 1vr3 s TYR 158 Ca 0.50 -2.49 -0.30 0.00 -0.37 0.00 0.00 57.07 54.41 1vr3 s TYR 158 Cb -0.12 -2.20 -0.10 0.00 -0.40 0.00 0.00 41.96 39.14 1vr3 s TYR 158 CO 0.19 -0.89 1.38 -0.80 -1.57 0.00 0.00 175.55 173.85 1vr3 s ASN 159 N 1.06 6.71 0.33 2.29 0.01 -1.26 -1.49 114.94 122.59 1vr3 s ASN 159 Ca -0.03 2.65 -0.29 0.00 -0.71 0.00 0.00 52.86 54.48 1vr3 s ASN 159 Cb -0.20 -2.63 -0.11 0.00 0.41 0.00 0.00 41.25 38.72 1vr3 s ASN 159 CO -0.06 -0.63 1.55 -1.14 -1.51 0.00 0.00 177.10 175.31 1vr3 n ARG 160 N 1.79 2.69 -2.45 -0.60 0.63 -0.49 -3.93 116.66 114.30 1vr3 n ARG 160 Ca 0.04 0.95 -0.41 0.00 -0.92 0.00 0.00 57.85 57.51 1vr3 n ARG 160 Cb 0.41 -2.71 -0.03 0.00 0.45 0.00 0.00 32.46 30.58 1vr3 n ARG 160 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1vr3 s PRO 161 N -1.23 4.50 -0.27 -0.14 0.04 -1.26 -5.01 135.00 131.63 1vr3 s PRO 161 Ca 0.59 1.77 0.22 0.00 0.04 0.00 0.00 61.00 63.62 1vr3 s PRO 161 Cb -0.49 -3.30 0.50 0.00 0.04 0.00 0.00 34.50 31.26 1vr3 s PRO 161 CO 0.55 -0.11 1.10 0.00 0.04 0.00 0.00 177.00 178.59 1vr3 n ALA 162 N 3.10 2.70 0.54 8.56 0.00 -1.25 -4.96 120.51 129.19 1vr3 n ALA 162 Ca 0.06 -2.80 0.13 0.00 0.00 0.00 0.00 53.44 50.82 1vr3 n ALA 162 Cb 0.46 -0.87 0.42 0.00 0.00 0.00 0.00 19.45 19.46 1vr3 n ALA 162 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1vr3 h ASP 163 N 2.63 0.00 1.65 0.00 3.32 -1.98 -3.26 116.42 118.79 1vr3 h ASP 163 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1vr3 h ASP 163 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1vr3 h ASP 163 CO 0.22 0.00 0.00 1.12 -1.72 0.00 0.00 179.24 178.86 1vr3 h HIS 164 N 0.00 0.00 -3.93 4.55 2.07 -2.00 -3.41 115.15 112.43 1vr3 h HIS 164 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 1vr3 h HIS 164 Cb 0.65 0.00 0.06 0.00 2.57 0.00 0.00 27.41 30.69 1vr3 h HIS 164 CO 0.00 0.00 0.56 -0.06 -3.07 0.00 0.00 177.93 175.36 1vr3 s PHE 165 N -3.27 2.99 0.33 6.12 0.08 -1.23 -4.88 117.98 118.12 1vr3 s PHE 165 Ca 0.07 1.49 0.07 0.00 0.12 0.00 0.00 56.93 58.68 1vr3 s PHE 165 Cb 0.07 -3.54 0.76 0.00 -0.57 0.00 0.00 43.02 39.75 1vr3 s PHE 165 CO 0.62 -1.65 1.82 0.22 -0.10 0.00 0.00 175.22 176.13 1vr3 h ASP 166 N 2.82 0.74 -0.42 1.36 3.58 -1.94 -0.62 116.42 121.93 1vr3 h ASP 166 Ca -0.49 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.00 1vr3 h ASP 166 Cb 1.24 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 1vr3 h ASP 166 CO 0.63 0.33 0.19 0.00 -2.88 0.00 0.00 179.24 177.51 1vr3 h ALA 167 N 1.60 1.45 -0.08 -0.78 0.00 -1.91 0.14 119.26 119.68 1vr3 h ALA 167 Ca 0.51 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1vr3 h ALA 167 Cb 0.80 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1vr3 h ALA 167 CO -0.28 0.42 -0.24 -0.09 0.00 0.00 0.00 179.25 179.07 1vr3 h ARG 168 N 0.67 0.30 -0.46 0.00 9.65 -1.45 -1.82 114.38 121.27 1vr3 h ARG 168 Ca 0.16 -0.22 0.06 0.00 -1.10 0.00 0.00 59.98 58.89 1vr3 h ARG 168 Cb 0.13 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.69 1vr3 h ARG 168 CO -0.02 0.84 0.15 0.28 2.80 0.00 0.00 179.97 184.02 1vr3 h VAL 169 N -0.18 0.83 -0.48 0.20 2.07 -0.97 -2.66 116.25 115.06 1vr3 h VAL 169 Ca -0.01 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1vr3 h VAL 169 Cb 0.86 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1vr3 h VAL 169 CO 0.05 0.06 -0.02 1.56 0.02 0.00 0.00 177.57 179.24 1vr3 h GLN 170 N 0.32 0.82 -1.29 1.57 1.08 -1.01 -2.02 115.11 114.58 1vr3 h GLN 170 Ca 0.22 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1vr3 h GLN 170 Cb 0.23 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1vr3 h GLN 170 CO -0.23 0.83 0.00 0.98 -0.95 0.00 0.00 178.83 179.46 1vr3 n TYR 171 N -4.20 0.00 0.00 2.96 9.36 -0.69 -0.95 117.16 123.64 1vr3 n TYR 171 Ca 0.02 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1vr3 n TYR 171 Cb 0.31 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 1vr3 n TYR 171 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1vr3 n SER 173 N 0.76 0.00 -0.24 2.98 2.88 -0.76 -1.09 113.62 118.15 1vr3 n SER 173 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1vr3 n SER 173 Cb 0.06 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.57 1vr3 n SER 173 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1vr3 h PHE 174 N 0.00 0.86 -0.57 0.66 3.57 -1.32 -2.88 116.94 117.26 1vr3 h PHE 174 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1vr3 h PHE 174 Cb 0.00 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 1vr3 h PHE 174 CO 0.00 0.55 0.38 -0.07 -2.23 0.00 0.00 178.31 176.94 1vr3 h LEU 175 N 0.92 0.66 -2.11 0.59 3.38 -1.39 -1.27 115.31 116.09 1vr3 h LEU 175 Ca 0.25 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1vr3 h LEU 175 Cb -0.09 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1vr3 h LEU 175 CO -0.05 0.47 0.02 -0.33 0.09 0.00 0.00 178.44 178.64 1vr3 h GLU 176 N 0.77 0.00 -0.00 1.13 5.08 -1.79 -2.87 114.58 116.90 1vr3 h GLU 176 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1vr3 h GLU 176 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1vr3 h GLU 176 CO -0.05 0.00 -0.29 0.41 -1.00 0.00 0.00 179.01 178.09 1vr3 n GLY 177 N -1.49 -1.33 4.00 -3.84 0.00 -0.48 -4.90 105.19 97.15 1vr3 n GLY 177 Ca -0.02 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 1vr3 n GLY 177 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vr3 s THR 178 N -2.98 2.86 -2.00 2.61 -4.23 -1.09 -5.14 115.64 105.68 1vr3 s THR 178 Ca 0.13 -0.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1vr3 s THR 178 Cb 0.18 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1vr3 s THR 178 CO 0.62 0.00 0.54 0.00 -0.54 0.00 0.00 174.62 175.24