#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvy s VAL 9 N 0.00 2.37 0.18 1.59 1.01 -1.26 -5.09 120.40 119.19 2vvy s VAL 9 Ca 0.00 -1.92 -0.31 0.00 0.00 0.00 0.00 61.98 59.75 2vvy s VAL 9 Cb 0.00 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.40 2vvy s VAL 9 CO 0.00 -0.10 1.48 0.12 0.00 0.00 0.00 175.10 176.60 2vvy s PHE 10 N -2.59 3.10 -0.32 5.22 5.36 -1.26 -5.00 117.98 122.48 2vvy s PHE 10 Ca 0.36 0.83 0.01 0.00 -0.96 0.00 0.00 56.93 57.18 2vvy s PHE 10 Cb 0.03 -3.83 0.08 0.00 -0.34 0.00 0.00 43.02 38.97 2vvy s PHE 10 CO 0.20 -2.92 0.02 0.45 -1.46 0.00 0.00 175.22 171.51 2vvy s SER 11 N 0.89 4.79 0.42 6.13 0.15 -1.26 -4.88 113.70 119.95 2vvy s SER 11 Ca 0.65 -1.76 -0.26 0.00 0.70 0.00 0.00 55.95 55.29 2vvy s SER 11 Cb -0.41 -1.66 -0.10 0.00 -1.71 0.00 0.00 66.02 62.14 2vvy s SER 11 CO 0.35 -0.34 1.33 -2.65 1.20 0.00 0.00 173.24 173.13 2vvy n PRO 12 N 4.43 2.06 -0.20 5.44 -0.02 -1.26 -4.88 135.00 140.58 2vvy n PRO 12 Ca -0.05 0.73 0.08 0.00 -2.02 0.00 0.00 63.50 62.25 2vvy n PRO 12 Cb 0.42 -2.46 0.37 0.00 -0.02 0.00 0.00 33.50 31.81 2vvy n PRO 12 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2vvy h GLN 13 N 2.20 0.69 -0.59 -0.52 -0.00 -1.98 -2.39 115.11 112.52 2vvy h GLN 13 Ca -0.49 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 2vvy h GLN 13 Cb 1.28 -0.15 0.00 0.00 -0.00 0.00 0.00 27.48 28.61 2vvy h GLN 13 CO 0.60 0.45 0.00 0.72 -0.00 0.00 0.00 178.83 180.61 2vvy n HIS 14 N -4.50 1.07 -0.28 0.06 8.25 -1.26 -4.64 115.22 113.92 2vvy n HIS 14 Ca 0.12 -0.57 -0.04 0.00 -0.26 0.00 0.00 57.72 56.97 2vvy n HIS 14 Cb 0.31 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 31.31 2vvy n HIS 14 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2vvy h GLY 16 N -0.10 0.00 -2.65 0.00 0.00 -1.83 -3.29 103.07 95.19 2vvy h GLY 16 Ca 0.27 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.04 2vvy h GLY 16 CO -0.81 0.00 0.58 0.00 0.00 0.00 0.00 176.54 176.31 2vvy n ASP 18 N -1.21 0.83 -3.71 0.00 9.92 -1.26 -2.60 116.55 118.53 2vvy n ASP 18 Ca 0.12 -0.80 -0.08 0.00 -0.53 0.00 0.00 54.79 53.50 2vvy n ASP 18 Cb 0.45 1.16 -0.02 0.00 -0.64 0.00 0.00 41.12 42.07 2vvy n ASP 18 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2vvy s ARG 19 N -2.93 1.57 0.06 -1.24 0.52 -1.26 -3.55 118.95 112.13 2vvy s ARG 19 Ca 0.05 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 2vvy s ARG 19 Cb 0.14 0.59 -0.04 0.00 0.52 0.00 0.00 34.95 36.16 2vvy s ARG 19 CO 0.81 -0.71 0.14 -0.51 0.02 0.00 0.00 175.30 175.05 2vvy s LEU 20 N -2.86 4.09 -0.16 2.53 1.43 -1.26 -5.00 118.68 117.46 2vvy s LEU 20 Ca 0.08 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 2vvy s LEU 20 Cb -0.04 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 2vvy s LEU 20 CO 0.00 0.18 -0.22 0.41 0.23 0.00 0.00 176.35 176.95 2vvy n THR 21 N 0.43 1.45 -3.69 5.49 -1.04 -1.26 -4.81 114.28 110.85 2vvy n THR 21 Ca -0.07 0.17 -0.27 0.00 -2.04 0.00 0.00 64.05 61.84 2vvy n THR 21 Cb 0.51 -2.36 -0.03 0.00 -1.82 0.00 0.00 70.33 66.63 2vvy n THR 21 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2vvy s SER 22 N -5.86 6.38 0.00 8.00 0.15 -1.26 -4.97 113.70 116.15 2vvy s SER 22 Ca -0.20 0.40 0.24 0.00 0.70 0.00 0.00 55.95 57.08 2vvy s SER 22 Cb 0.03 -2.01 1.02 0.00 -1.71 0.00 0.00 66.02 63.35 2vvy s SER 22 CO 0.30 -0.05 1.76 0.00 1.20 0.00 0.00 173.24 176.45 2vvy n ILE 23 N -0.68 0.37 0.21 6.45 3.06 -1.26 -2.84 119.36 124.67 2vvy n ILE 23 Ca -0.05 0.09 0.11 0.00 -2.50 0.00 0.00 62.75 60.40 2vvy n ILE 23 Cb 0.54 -0.69 0.22 0.00 0.54 0.00 0.00 39.64 40.25 2vvy n ILE 23 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 2vvy h ASP 24 N 0.00 0.00 0.65 9.51 3.32 -1.99 -2.93 116.42 124.98 2vvy h ASP 24 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vvy h ASP 24 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2vvy h ASP 24 CO 0.00 0.11 -0.03 0.47 -1.72 0.00 0.00 179.24 178.07 2vvy n ASP 25 N -3.14 0.07 -0.11 6.45 8.00 -1.13 -4.27 116.55 122.42 2vvy n ASP 25 Ca 0.03 -0.05 -0.11 0.00 0.71 0.00 0.00 54.79 55.37 2vvy n ASP 25 Cb 0.54 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 2vvy n ASP 25 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2vvy h VAL 26 N 0.07 1.28 -0.20 2.53 2.07 -1.68 -1.13 116.25 119.18 2vvy h VAL 26 Ca 0.00 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 2vvy h VAL 26 Cb 0.35 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2vvy h VAL 26 CO 0.00 0.37 -0.24 -0.09 0.02 0.00 0.00 177.57 177.64 2vvy h ARG 27 N 0.43 0.52 -0.52 1.57 2.43 -1.80 -2.15 114.38 114.86 2vvy h ARG 27 Ca 0.08 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 2vvy h ARG 27 Cb 0.59 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2vvy h ARG 27 CO 0.03 0.88 0.34 0.37 -1.51 0.00 0.00 179.97 180.09 2vvy h GLN 28 N 0.19 0.67 0.05 0.20 -0.00 -1.77 -1.94 115.11 112.51 2vvy h GLN 28 Ca 0.03 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2vvy h GLN 28 Cb 0.80 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 28.13 2vvy h GLN 28 CO 0.06 0.44 -0.03 0.00 0.00 0.00 0.00 178.83 179.31 2vvy h LEU 30 N -0.71 1.02 0.25 0.00 3.38 -1.36 -0.85 115.31 117.04 2vvy h LEU 30 Ca -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2vvy h LEU 30 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2vvy h LEU 30 CO 0.01 0.75 -0.21 0.74 0.09 0.00 0.00 178.44 179.82 2vvy h THR 31 N 1.19 0.54 -0.01 0.22 2.02 -1.37 -1.45 112.91 114.05 2vvy h THR 31 Ca 0.32 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.43 2vvy h THR 31 Cb -0.11 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2vvy h THR 31 CO -0.07 0.00 -0.32 -0.33 0.37 0.00 0.00 175.52 175.17 2vvy h GLU 32 N -0.48 0.01 0.05 6.66 5.08 -1.22 -1.17 114.58 123.52 2vvy h GLU 32 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2vvy h GLU 32 Cb 0.43 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2vvy h GLU 32 CO -0.03 0.34 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.38 2vvy h TYR 33 N 0.01 -0.06 -0.49 4.33 3.20 -0.87 0.68 116.97 123.78 2vvy h TYR 33 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2vvy h TYR 33 Cb 0.58 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2vvy h TYR 33 CO 0.00 0.04 0.03 0.82 -1.64 0.00 0.00 178.16 177.41 2vvy h ILE 34 N -0.15 1.24 -0.33 1.81 1.08 -0.78 -0.53 117.51 119.84 2vvy h ILE 34 Ca -0.01 -0.95 -0.07 0.00 -0.39 0.00 0.00 64.86 63.44 2vvy h ILE 34 Cb 0.13 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 2vvy h ILE 34 CO 0.01 0.34 -0.07 0.22 -0.69 0.00 0.00 178.15 177.96 2vvy h TYR 35 N 0.74 0.70 -0.22 1.37 3.20 -1.12 -3.00 116.97 118.64 2vvy h TYR 35 Ca 0.15 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2vvy h TYR 35 Cb 0.41 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2vvy h TYR 35 CO 0.02 0.79 0.11 2.35 -1.64 0.00 0.00 178.16 179.80 2vvy h TRP 36 N 0.41 0.29 0.00 -3.82 7.01 -0.51 -1.21 115.95 118.13 2vvy h TRP 36 Ca 0.08 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.08 2vvy h TRP 36 Cb 0.56 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 2vvy h TRP 36 CO 0.05 0.22 0.00 0.43 -2.79 0.00 0.00 178.44 176.35 2vvy n SER 37 N -4.47 0.00 -0.06 2.65 7.64 -0.24 -1.97 113.62 117.18 2vvy n SER 37 Ca 0.00 0.29 -0.14 0.00 1.01 0.00 0.00 58.87 60.04 2vvy n SER 37 Cb 0.10 -0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 2vvy n SER 37 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2vvy h SER 38 N 0.00 0.48 0.00 6.43 0.02 -1.28 -3.04 113.55 116.16 2vvy h SER 38 Ca 0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2vvy h SER 38 Cb 0.13 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2vvy h SER 38 CO 0.00 0.91 0.00 0.00 -1.14 0.00 0.00 176.83 176.60 2vvy n TYR 39 N -4.44 0.00 0.29 3.45 4.11 -1.19 -4.12 117.16 115.26 2vvy n TYR 39 Ca -0.06 0.00 0.17 0.00 -0.00 0.00 0.00 57.90 58.00 2vvy n TYR 39 Cb 0.43 0.00 0.81 0.00 -0.00 0.00 0.00 39.34 40.58 2vvy n TYR 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2vvy h ALA 40 N 0.00 1.00 0.00 -3.48 0.00 -1.76 -2.91 119.26 112.12 2vvy h ALA 40 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2vvy h ALA 40 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vvy h ALA 40 CO 0.00 0.00 -0.04 0.10 0.00 0.00 0.00 179.25 179.31 2vvy h TYR 41 N 0.00 0.00 0.00 0.00 -0.00 -1.63 0.21 116.97 115.55 2vvy h TYR 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2vvy h TYR 41 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.90 2vvy h TYR 41 CO 0.00 0.04 -0.67 0.07 -0.00 0.00 0.00 178.16 177.60 2vvy h ARG 42 N 0.00 0.00 0.00 0.10 0.11 -1.83 -3.36 114.38 109.39 2vvy h ARG 42 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2vvy h ARG 42 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2vvy h ARG 42 CO 0.01 0.00 -0.53 0.09 0.10 0.00 0.00 179.97 179.63 2vvy n ASN 43 N -2.18 1.39 -3.92 0.08 3.02 -0.95 -4.92 115.26 107.79 2vvy n ASN 43 Ca 0.03 -0.41 -0.28 0.00 -0.03 0.00 0.00 54.58 53.88 2vvy n ASN 43 Cb 0.45 1.07 -0.16 0.00 -0.61 0.00 0.00 39.78 40.53 2vvy n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2vvy s ARG 44 N -1.71 1.59 0.04 3.52 3.52 0.02 -4.97 118.95 120.96 2vvy s ARG 44 Ca 0.01 -0.52 -0.22 0.00 -0.13 0.00 0.00 55.73 54.87 2vvy s ARG 44 Cb 0.03 -2.00 -0.06 0.00 -1.56 0.00 0.00 34.95 31.36 2vvy s ARG 44 CO 0.19 -0.39 0.64 -0.65 -0.81 0.00 0.00 175.30 174.28 2vvy s GLN 45 N 1.60 4.35 -0.40 5.12 -1.52 -1.26 -4.51 119.66 123.04 2vvy s GLN 45 Ca 0.01 0.84 0.03 0.00 -1.95 0.00 0.00 55.36 54.29 2vvy s GLN 45 Cb -0.15 -3.31 0.11 0.00 -0.22 0.00 0.00 33.01 29.44 2vvy s GLN 45 CO -0.08 0.44 0.13 0.00 -0.25 0.00 0.00 175.29 175.53 2vvy n ALA 47 N 3.99 2.94 -1.01 0.00 0.00 -1.26 -4.66 120.51 120.51 2vvy n ALA 47 Ca 0.04 -0.23 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 2vvy n ALA 47 Cb 0.39 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 18.63 2vvy n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vvy n GLY 48 N 1.49 -2.56 0.23 0.00 0.00 -1.24 -4.81 105.19 98.30 2vvy n GLY 48 Ca 0.07 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.58 2vvy n GLY 48 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vvy h GLN 49 N -0.98 0.00 0.16 1.61 4.20 -1.77 -2.69 115.11 115.64 2vvy h GLN 49 Ca -0.44 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 2vvy h GLN 49 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2vvy h GLN 49 CO 0.35 0.20 -0.08 1.25 -0.67 0.00 0.00 178.83 179.88 2vvy h LEU 50 N 0.00 -0.18 -1.32 1.46 5.85 -1.55 -1.62 115.31 117.96 2vvy h LEU 50 Ca -0.00 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2vvy h LEU 50 Cb 0.73 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2vvy h LEU 50 CO 0.03 0.03 -0.16 1.88 -0.34 0.00 0.00 178.44 179.87 2vvy h TYR 51 N -0.39 0.00 -0.27 1.25 -1.99 -1.75 -1.36 116.97 112.47 2vvy h TYR 51 Ca -0.02 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 2vvy h TYR 51 Cb 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 2vvy h TYR 51 CO -0.01 0.16 0.02 1.03 -0.00 0.00 0.00 178.16 179.36 2vvy h SER 52 N 0.00 0.45 0.05 3.88 0.87 -1.29 -2.09 113.55 115.43 2vvy h SER 52 Ca -0.00 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2vvy h SER 52 Cb 0.63 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2vvy h SER 52 CO 0.02 0.62 -0.03 0.74 -0.53 0.00 0.00 176.83 177.66 2vvy h THR 53 N 0.26 1.04 -0.32 2.23 2.02 -0.88 -2.61 112.91 114.65 2vvy h THR 53 Ca 0.08 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 67.03 2vvy h THR 53 Cb 0.38 1.23 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 2vvy h THR 53 CO 0.01 0.07 -0.13 -0.07 0.37 0.00 0.00 175.52 175.78 2vvy h LEU 54 N -0.20 -0.44 -1.88 2.58 3.38 -1.26 -1.20 115.31 116.29 2vvy h LEU 54 Ca -0.01 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2vvy h LEU 54 Cb 0.18 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2vvy h LEU 54 CO 0.01 -0.16 0.10 -0.07 0.09 0.00 0.00 178.44 178.41 2vvy h LEU 55 N -0.07 0.13 -0.17 1.67 3.38 -1.34 0.47 115.31 119.39 2vvy h LEU 55 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2vvy h LEU 55 Cb 0.31 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2vvy h LEU 55 CO -0.36 0.10 0.00 -1.54 0.09 0.00 0.00 178.44 176.72 2vvy n SER 56 N -4.51 0.15 0.12 -0.43 3.41 -0.46 -2.26 113.62 109.63 2vvy n SER 56 Ca -0.01 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 2vvy n SER 56 Cb 0.11 -0.57 0.47 0.00 -0.26 0.00 0.00 64.21 63.96 2vvy n SER 56 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2vvy n PHE 57 N -1.67 0.65 -0.05 7.33 3.72 0.16 -1.17 117.46 126.43 2vvy n PHE 57 Ca 0.03 0.28 0.08 0.00 -0.05 0.00 0.00 57.45 57.79 2vvy n PHE 57 Cb 0.17 -0.95 0.46 0.00 -0.94 0.00 0.00 39.48 38.22 2vvy n PHE 57 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2vvy h ARG 58 N 0.00 0.47 -0.54 -1.08 2.43 -1.63 -0.05 114.38 113.98 2vvy h ARG 58 Ca 0.00 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2vvy h ARG 58 Cb 0.24 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2vvy h ARG 58 CO 0.00 0.31 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.26 2vvy h ASP 59 N 0.49 0.98 0.45 -3.80 3.32 -1.39 -0.92 116.42 115.55 2vvy h ASP 59 Ca 0.23 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 2vvy h ASP 59 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2vvy h ASP 59 CO -0.06 1.07 -0.59 0.44 -1.72 0.00 0.00 179.24 178.38 2vvy h ASP 60 N 0.89 0.17 0.15 6.45 3.32 -1.43 -1.96 116.42 124.00 2vvy h ASP 60 Ca 0.15 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2vvy h ASP 60 Cb 0.62 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2vvy h ASP 60 CO 0.04 0.72 -0.07 0.00 -1.72 0.00 0.00 179.24 178.21 2vvy h ALA 61 N 1.28 -0.20 -0.56 3.45 0.00 -0.70 -2.50 119.26 120.03 2vvy h ALA 61 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2vvy h ALA 61 Cb 1.08 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2vvy h ALA 61 CO 0.09 -0.51 0.37 0.93 0.00 0.00 0.00 179.25 180.13 2vvy h GLU 62 N -0.40 0.46 -0.19 0.00 4.39 -1.09 0.19 114.58 117.93 2vvy h GLU 62 Ca -0.02 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 2vvy h GLU 62 Cb 0.32 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2vvy h GLU 62 CO 0.03 0.30 -0.43 1.25 -1.16 0.00 0.00 179.01 179.01 2vvy h LEU 63 N 0.47 0.48 0.05 1.33 6.46 -1.20 -1.41 115.31 121.49 2vvy h LEU 63 Ca 0.25 -0.21 -0.35 0.00 -0.12 0.00 0.00 57.88 57.44 2vvy h LEU 63 Cb 0.36 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 2vvy h LEU 63 CO -0.07 0.85 -2.09 0.52 -0.62 0.00 0.00 178.44 177.03 2vvy n VAL 64 N -4.01 1.63 0.04 1.05 0.31 -0.65 -4.40 118.33 112.30 2vvy n VAL 64 Ca -0.02 -0.70 0.08 0.00 -0.01 0.00 0.00 64.34 63.69 2vvy n VAL 64 Cb 0.52 -1.35 0.17 0.00 -0.91 0.00 0.00 33.84 32.27 2vvy n VAL 64 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2vvy n PHE 65 N -3.24 0.44 0.00 3.52 3.01 0.56 -5.02 117.46 116.73 2vvy n PHE 65 Ca -0.32 -0.34 0.00 0.00 1.01 0.00 0.00 57.45 57.80 2vvy n PHE 65 Cb 1.05 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 2vvy n PHE 65 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2vvy n ILE 66 N 0.90 0.00 -3.56 4.37 5.41 -0.53 -4.22 119.36 121.72 2vvy n ILE 66 Ca 0.14 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.48 2vvy n ILE 66 Cb 0.46 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.31 2vvy n ILE 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2vvy s ASP 67 N -4.00 5.77 0.37 4.38 -1.08 -1.26 -4.66 116.67 116.18 2vvy s ASP 67 Ca 0.00 -2.33 0.18 0.00 -0.52 0.00 0.00 52.55 49.89 2vvy s ASP 67 Cb 0.00 -2.00 0.64 0.00 -1.46 0.00 0.00 42.92 40.10 2vvy s ASP 67 CO 0.00 -0.58 1.72 0.16 0.52 0.00 0.00 175.17 176.99 2vvy h ILE 68 N 5.65 0.91 0.38 4.11 3.07 -1.90 -2.30 117.51 127.43 2vvy h ILE 68 Ca -0.09 -1.57 -0.02 0.00 1.55 0.00 0.00 64.86 64.72 2vvy h ILE 68 Cb 1.03 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 39.54 2vvy h ILE 68 CO 0.80 0.38 -0.18 -0.09 -1.05 0.00 0.00 178.15 178.01 2vvy h ARG 69 N 0.00 -0.49 0.00 0.16 9.65 -1.95 0.28 114.38 122.03 2vvy h ARG 69 Ca -0.00 0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 2vvy h ARG 69 Cb 0.92 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 2vvy h ARG 69 CO 0.05 -0.29 -0.23 0.93 2.80 0.00 0.00 179.97 183.23 2vvy h GLU 70 N -0.57 0.00 -0.00 0.20 4.39 -1.98 -2.86 114.58 113.77 2vvy h GLU 70 Ca -0.05 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.39 2vvy h GLU 70 Cb 0.43 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2vvy h GLU 70 CO 0.09 0.23 -1.02 1.25 -1.16 0.00 0.00 179.01 178.40 2vvy h LEU 71 N 0.00 0.82 -0.80 1.33 5.85 -1.19 -2.99 115.31 118.33 2vvy h LEU 71 Ca -0.00 -0.65 -0.07 0.00 0.84 0.00 0.00 57.88 58.00 2vvy h LEU 71 Cb 0.52 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2vvy h LEU 71 CO 0.03 1.45 0.16 0.58 -0.34 0.00 0.00 178.44 180.32 2vvy h VAL 72 N 0.36 1.26 -0.41 1.05 2.07 -0.74 -2.99 116.25 116.84 2vvy h VAL 72 Ca -0.12 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2vvy h VAL 72 Cb 1.66 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2vvy h VAL 72 CO 0.19 0.36 0.19 0.11 0.02 0.00 0.00 177.57 178.44 2vvy h LYS 73 N 1.01 0.60 -1.87 1.57 1.57 -1.55 -3.47 116.57 114.43 2vvy h LYS 73 Ca 0.21 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2vvy h LYS 73 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2vvy h LYS 73 CO 0.00 0.53 0.00 0.09 -0.57 0.00 0.00 179.45 179.51 2vvy n ASN 74 N -4.67 1.17 -3.78 0.86 3.02 -1.13 -5.01 115.26 105.72 2vvy n ASN 74 Ca 0.00 -0.99 -0.28 0.00 -0.03 0.00 0.00 54.58 53.28 2vvy n ASN 74 Cb 0.12 -0.23 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 2vvy n ASN 74 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2vvy n PRO 76 N 1.39 1.70 0.12 3.52 -0.05 -1.26 -5.12 135.00 135.30 2vvy n PRO 76 Ca 0.00 -4.34 0.11 0.00 -0.05 0.00 0.00 63.50 59.22 2vvy n PRO 76 Cb 0.14 -2.19 0.48 0.00 -0.05 0.00 0.00 33.50 31.87 2vvy n PRO 76 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 175.50 176.36 2vvy n TRP 77 N 1.92 0.70 0.67 0.54 7.02 -1.26 -0.71 117.44 126.32 2vvy n TRP 77 Ca 0.22 0.30 0.11 0.00 -1.02 0.00 0.00 57.50 57.11 2vvy n TRP 77 Cb 0.37 -0.98 0.46 0.00 -2.42 0.00 0.00 31.31 28.75 2vvy n TRP 77 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2vvy n ASP 78 N -2.16 0.24 -3.76 -0.99 3.85 -1.26 -4.49 116.55 107.99 2vvy n ASP 78 Ca 0.01 0.54 -0.30 0.00 -0.71 0.00 0.00 54.79 54.34 2vvy n ASP 78 Cb 0.18 -0.60 -0.14 0.00 -1.35 0.00 0.00 41.12 39.21 2vvy n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2vvy s ASP 79 N -3.45 3.92 0.13 -1.12 2.15 0.11 -5.00 116.67 113.41 2vvy s ASP 79 Ca 0.09 -2.21 -0.19 0.00 0.43 0.00 0.00 52.55 50.68 2vvy s ASP 79 Cb 0.13 -1.04 -0.02 0.00 -0.30 0.00 0.00 42.92 41.69 2vvy s ASP 79 CO 0.43 -0.33 1.75 0.58 -0.17 0.00 0.00 175.17 177.42 2vvy h VAL 80 N 5.87 0.94 -0.63 1.11 2.07 -1.79 -1.52 116.25 122.29 2vvy h VAL 80 Ca -0.06 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2vvy h VAL 80 Cb 0.97 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 2vvy h VAL 80 CO 0.49 0.04 0.24 0.11 0.02 0.00 0.00 177.57 178.46 2vvy h LYS 81 N 0.20 0.41 -0.21 1.57 1.79 -1.94 -1.15 116.57 117.22 2vvy h LYS 81 Ca 0.10 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.38 2vvy h LYS 81 Cb 0.07 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2vvy h LYS 81 CO -0.10 0.27 -0.56 0.22 -1.08 0.00 0.00 179.45 178.20 2vvy h ASP 82 N 0.42 0.73 -0.66 0.86 3.58 -1.83 -2.08 116.42 117.44 2vvy h ASP 82 Ca 0.32 -0.39 0.03 0.00 0.42 0.00 0.00 57.03 57.41 2vvy h ASP 82 Cb 0.41 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 2vvy h ASP 82 CO -0.32 1.13 0.41 0.00 -2.88 0.00 0.00 179.24 177.58 2vvy h ALA 84 N 1.29 1.33 -0.85 0.00 0.00 -1.02 -0.97 119.26 119.05 2vvy h ALA 84 Ca 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2vvy h ALA 84 Cb 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2vvy h ALA 84 CO -0.11 0.55 0.41 0.93 0.00 0.00 0.00 179.25 181.03 2vvy h GLU 85 N 1.04 1.23 -0.17 0.00 4.39 -0.63 -1.08 114.58 119.36 2vvy h GLU 85 Ca 0.27 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 2vvy h GLU 85 Cb 0.01 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 2vvy h GLU 85 CO -0.04 0.94 0.00 0.82 -1.16 0.00 0.00 179.01 179.57 2vvy h ILE 86 N 1.21 1.25 -0.57 3.13 2.04 -0.54 -2.90 117.51 121.14 2vvy h ILE 86 Ca 0.29 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.39 2vvy h ILE 86 Cb 0.12 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 2vvy h ILE 86 CO -0.04 0.25 0.21 0.40 0.00 0.00 0.00 178.15 178.98 2vvy h ILE 87 N 0.05 0.81 0.00 -0.67 2.04 -1.03 -0.90 117.51 117.81 2vvy h ILE 87 Ca 0.05 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2vvy h ILE 87 Cb 0.38 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2vvy h ILE 87 CO 0.01 0.07 0.00 0.54 0.00 0.00 0.00 178.15 178.77 2vvy n ARG 88 N -4.99 0.04 -0.07 2.37 1.74 -0.42 -0.37 116.66 114.96 2vvy n ARG 88 Ca 0.07 0.33 -0.13 0.00 -0.77 0.00 0.00 57.85 57.34 2vvy n ARG 88 Cb 0.24 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 2vvy n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vvy h TYR 90 N 0.19 0.44 -3.34 0.00 -1.99 -0.79 -3.40 116.97 108.09 2vvy h TYR 90 Ca 0.03 -0.30 -0.67 0.00 2.00 0.00 0.00 58.73 59.79 2vvy h TYR 90 Cb 0.78 -0.03 -0.38 0.00 2.00 0.00 0.00 36.73 39.10 2vvy h TYR 90 CO 0.08 1.20 -0.40 0.42 -0.00 0.00 0.00 178.16 179.46 2vvy s ILE 91 N -2.59 3.46 0.03 -2.88 1.01 -0.02 -4.97 121.20 115.25 2vvy s ILE 91 Ca -0.15 -3.62 -0.18 0.00 0.00 0.00 0.00 60.65 56.70 2vvy s ILE 91 Cb 0.01 -3.25 -0.20 0.00 0.01 0.00 0.00 42.46 39.03 2vvy s ILE 91 CO 0.80 -0.95 1.19 1.55 0.00 0.00 0.00 174.94 177.52 2vvy h PRO 92 N 6.23 0.51 -7.17 2.79 0.14 -1.73 -3.37 132.00 129.39 2vvy h PRO 92 Ca 0.06 -0.46 -0.49 0.00 0.14 0.00 0.00 66.00 65.25 2vvy h PRO 92 Cb 0.85 0.11 0.06 0.00 0.14 0.00 0.00 31.00 32.17 2vvy h PRO 92 CO 0.75 1.09 0.38 -0.51 0.14 0.00 0.00 178.00 179.85 2vvy s ASP 93 N -6.75 5.76 0.15 1.44 1.01 -1.26 -4.95 116.67 112.05 2vvy s ASP 93 Ca -0.13 1.90 -0.03 0.00 0.71 0.00 0.00 52.55 55.00 2vvy s ASP 93 Cb 0.05 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2vvy s ASP 93 CO 0.83 -1.19 1.35 -0.08 0.21 0.00 0.00 175.17 176.30 2vvy h GLU 94 N 0.62 0.39 -6.47 8.23 4.57 -2.02 -3.39 114.58 116.51 2vvy h GLU 94 Ca -0.48 -0.38 -0.55 0.00 -1.18 0.00 0.00 59.36 56.77 2vvy h GLU 94 Cb 1.23 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.85 2vvy h GLU 94 CO 0.57 1.05 1.04 -1.14 -1.18 0.00 0.00 179.01 179.35 2vvy s GLN 95 N -3.36 3.37 0.15 1.92 0.74 -1.26 -5.02 119.66 116.20 2vvy s GLN 95 Ca -0.05 0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.60 2vvy s GLN 95 Cb 0.09 -4.09 -0.04 0.00 1.10 0.00 0.00 33.01 30.08 2vvy s GLN 95 CO 0.85 -1.87 0.30 0.15 -0.55 0.00 0.00 175.29 174.18 2vvy s LYS 96 N 5.31 3.46 0.43 1.67 1.02 -1.26 -5.07 119.74 125.30 2vvy s LYS 96 Ca 0.45 -0.52 -0.03 0.00 0.02 0.00 0.00 55.97 55.89 2vvy s LYS 96 Cb -0.09 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2vvy s LYS 96 CO 0.23 0.50 0.69 0.95 -0.92 0.00 0.00 175.35 176.81 2vvy s THR 97 N -1.74 4.96 0.49 2.17 -4.23 -1.26 -4.92 115.64 111.11 2vvy s THR 97 Ca 0.35 -0.07 0.18 0.00 -1.18 0.00 0.00 61.69 60.98 2vvy s THR 97 Cb -0.11 -3.86 0.34 0.00 1.34 0.00 0.00 72.50 70.21 2vvy s THR 97 CO 0.29 -0.73 2.03 -0.29 -0.54 0.00 0.00 174.62 175.38 2vvy h ILE 98 N 0.43 0.87 -0.17 2.99 2.10 -1.98 -0.29 117.51 121.45 2vvy h ILE 98 Ca -0.48 -0.06 -0.19 0.00 1.08 0.00 0.00 64.86 65.21 2vvy h ILE 98 Cb 1.21 0.70 0.01 0.00 -1.09 0.00 0.00 36.82 37.64 2vvy h ILE 98 CO 0.61 0.03 -0.64 -0.09 -1.08 0.00 0.00 178.15 176.99 2vvy h ARG 99 N 0.16 0.74 -0.62 2.19 2.43 -1.99 -2.57 114.38 114.72 2vvy h ARG 99 Ca 0.19 -0.56 -0.07 0.00 -0.81 0.00 0.00 59.98 58.73 2vvy h ARG 99 Cb 0.54 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2vvy h ARG 99 CO -0.03 1.18 0.12 0.93 -1.51 0.00 0.00 179.97 180.66 2vvy h GLU 100 N 0.45 1.00 -0.58 0.20 5.08 -1.51 -0.42 114.58 118.80 2vvy h GLU 100 Ca -0.03 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 2vvy h GLU 100 Cb 1.26 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2vvy h GLU 100 CO 0.13 0.91 -0.05 0.82 -1.00 0.00 0.00 179.01 179.82 2vvy h ILE 101 N 0.94 1.27 -0.48 3.13 2.04 -1.15 -1.76 117.51 121.50 2vvy h ILE 101 Ca 0.19 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.76 2vvy h ILE 101 Cb 0.39 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2vvy h ILE 101 CO 0.01 0.43 -0.05 0.28 0.00 0.00 0.00 178.15 178.82 2vvy h SER 102 N 0.95 0.88 -0.57 1.72 0.02 -1.23 -2.49 113.55 112.81 2vvy h SER 102 Ca 0.16 -0.33 0.09 0.00 -0.84 0.00 0.00 61.79 60.87 2vvy h SER 102 Cb 0.61 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.84 2vvy h SER 102 CO 0.04 1.00 0.19 0.00 -1.14 0.00 0.00 176.83 176.92 2vvy h ALA 103 N 0.90 0.71 -0.41 3.77 0.00 -0.84 0.27 119.26 123.67 2vvy h ALA 103 Ca 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2vvy h ALA 103 Cb 0.58 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2vvy h ALA 103 CO 0.04 -0.23 0.17 0.82 0.00 0.00 0.00 179.25 180.05 2vvy h ILE 104 N 0.35 1.19 -0.62 0.00 2.04 -1.08 0.24 117.51 119.63 2vvy h ILE 104 Ca 0.29 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 2vvy h ILE 104 Cb 0.37 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2vvy h ILE 104 CO -0.31 0.21 0.16 0.40 0.00 0.00 0.00 178.15 178.61 2vvy h ILE 105 N 0.51 1.25 -0.37 -0.67 2.04 -1.19 -1.90 117.51 117.18 2vvy h ILE 105 Ca 0.14 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2vvy h ILE 105 Cb 0.17 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2vvy h ILE 105 CO -0.01 0.34 0.24 1.23 0.00 0.00 0.00 178.15 179.95 2vvy h GLY 106 N 0.90 0.53 0.97 5.37 0.00 0.01 -1.35 103.07 109.51 2vvy h GLY 106 Ca 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2vvy h GLY 106 CO 0.00 0.20 0.08 -2.00 0.00 0.00 0.00 176.54 174.82 2vvy h LEU 107 N 0.50 0.73 -0.80 3.11 5.85 -0.44 -2.44 115.31 121.83 2vvy h LEU 107 Ca 0.14 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.48 2vvy h LEU 107 Cb -0.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2vvy h LEU 107 CO -0.03 0.80 -0.37 0.00 -0.34 0.00 0.00 178.44 178.51 2vvy h ALA 109 N 1.21 0.84 -0.26 0.00 0.00 -1.21 -0.93 119.26 118.91 2vvy h ALA 109 Ca 0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2vvy h ALA 109 Cb 0.83 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2vvy h ALA 109 CO 0.07 0.64 -0.11 -0.92 0.00 0.00 0.00 179.25 178.92 2vvy h TYR 110 N 0.57 0.62 -0.95 0.00 3.20 -1.09 -2.07 116.97 117.25 2vvy h TYR 110 Ca 0.06 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 61.83 2vvy h TYR 110 Cb 0.84 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 2vvy h TYR 110 CO 0.04 0.79 0.62 0.00 -1.64 0.00 0.00 178.16 177.97 2vvy h ALA 111 N 0.74 1.40 -0.40 1.82 0.00 -1.03 0.63 119.26 122.42 2vvy h ALA 111 Ca 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2vvy h ALA 111 Cb 0.62 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2vvy h ALA 111 CO 0.04 0.49 -0.11 0.00 0.00 0.00 0.00 179.25 179.66 2vvy h ALA 112 N 1.45 1.05 -0.11 0.00 0.00 -0.95 -1.14 119.26 119.57 2vvy h ALA 112 Ca 0.39 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2vvy h ALA 112 Cb 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2vvy h ALA 112 CO -0.13 0.58 -0.60 1.15 0.00 0.00 0.00 179.25 180.25 2vvy h THR 113 N 0.65 1.34 -0.56 0.00 2.02 -0.76 -2.22 112.91 113.39 2vvy h THR 113 Ca 0.11 -1.89 0.04 0.00 0.77 0.00 0.00 66.41 65.44 2vvy h THR 113 Cb 0.57 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 2vvy h THR 113 CO 0.04 0.58 0.31 0.22 0.37 0.00 0.00 175.52 177.04 2vvy h TYR 114 N 0.23 0.58 0.00 3.16 3.20 -0.69 -3.15 116.97 120.30 2vvy h TYR 114 Ca -0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2vvy h TYR 114 Cb 1.25 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2vvy h TYR 114 CO 0.11 0.30 -0.69 0.91 -1.64 0.00 0.00 178.16 177.15 2vvy n TRP 115 N -4.81 0.35 -1.06 -3.82 7.02 -0.45 -4.94 117.44 109.73 2vvy n TRP 115 Ca 0.05 0.10 -0.31 0.00 -1.02 0.00 0.00 57.50 56.33 2vvy n TRP 115 Cb 0.12 -0.51 0.13 0.00 -2.42 0.00 0.00 31.31 28.63 2vvy n TRP 115 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2vvy s GLY 116 N -3.50 1.66 0.00 6.99 0.00 -0.84 -4.49 107.32 107.15 2vvy s GLY 116 Ca 0.07 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.07 2vvy s GLY 116 CO 0.74 0.69 0.00 0.61 0.00 0.00 0.00 173.10 175.14 2vvy n GLY 117 N -0.71 0.92 0.08 0.20 0.00 -0.59 -4.94 105.19 100.15 2vvy n GLY 117 Ca 0.09 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 44.09 2vvy n GLY 117 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2vvy h GLU 118 N 0.00 0.00 0.00 1.61 9.09 -1.96 -3.40 114.58 119.92 2vvy h GLU 118 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2vvy h GLU 118 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2vvy h GLU 118 CO 0.00 0.69 0.00 -0.40 0.05 0.00 0.00 179.01 179.35 2vvy n ASP 119 N -3.19 0.06 -3.81 3.06 5.75 -1.26 -4.94 116.55 112.21 2vvy n ASP 119 Ca -0.05 -0.65 -0.13 0.00 -0.01 0.00 0.00 54.79 53.95 2vvy n ASP 119 Cb 0.92 0.03 -0.15 0.00 -1.03 0.00 0.00 41.12 40.89 2vvy n ASP 119 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2vvy s HIS 120 N -0.03 -0.01 1.03 2.11 -3.43 -1.26 -5.01 115.29 108.69 2vvy s HIS 120 Ca 0.00 0.11 -0.12 0.00 -0.80 0.00 0.00 55.06 54.25 2vvy s HIS 120 Cb 0.00 -0.11 0.21 0.00 -1.43 0.00 0.00 32.58 31.25 2vvy s HIS 120 CO 0.00 -0.06 1.07 -1.25 -2.00 0.00 0.00 174.74 172.51 2vvy s PRO 121 N 0.56 0.15 0.34 -0.38 0.04 -1.26 -1.54 135.00 132.91 2vvy s PRO 121 Ca -0.05 0.77 0.07 0.00 0.04 0.00 0.00 61.00 61.83 2vvy s PRO 121 Cb -0.07 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.72 2vvy s PRO 121 CO -0.02 -2.98 -0.03 0.95 0.04 0.00 0.00 177.00 174.96 2vvy s THR 122 N -2.76 1.83 0.26 1.26 -4.23 -1.26 -4.72 115.64 106.02 2vvy s THR 122 Ca 0.66 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2vvy s THR 122 Cb -0.21 -2.70 0.25 0.00 1.34 0.00 0.00 72.50 71.18 2vvy s THR 122 CO 0.60 -0.15 1.81 0.28 -0.54 0.00 0.00 174.62 176.62 2vvy h SER 123 N 2.05 0.74 -0.35 3.99 0.02 -1.98 -1.39 113.55 116.64 2vvy h SER 123 Ca -0.42 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.48 2vvy h SER 123 Cb 1.24 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2vvy h SER 123 CO 0.72 0.39 -0.23 0.78 -1.14 0.00 0.00 176.83 177.35 2vvy h ASN 124 N 0.83 0.80 -0.34 3.07 2.35 -1.89 -1.54 115.58 118.86 2vvy h ASN 124 Ca 0.46 -0.43 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 2vvy h ASN 124 Cb 0.49 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2vvy h ASN 124 CO -0.28 1.06 -0.02 0.77 -1.65 0.00 0.00 177.43 177.30 2vvy h SER 125 N 0.55 0.69 -0.44 5.81 4.64 -1.67 -2.04 113.55 121.09 2vvy h SER 125 Ca 0.07 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 2vvy h SER 125 Cb 0.79 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2vvy h SER 125 CO 0.06 0.78 0.04 -0.07 -0.87 0.00 0.00 176.83 176.77 2vvy h LEU 126 N 0.67 0.72 -2.07 5.97 3.38 -1.21 -3.03 115.31 119.74 2vvy h LEU 126 Ca 0.13 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2vvy h LEU 126 Cb 0.45 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2vvy h LEU 126 CO 0.02 0.82 0.05 0.78 0.09 0.00 0.00 178.44 180.20 2vvy h ASN 127 N 0.59 0.00 -0.77 -0.43 2.35 -0.60 0.56 115.58 117.28 2vvy h ASN 127 Ca 0.13 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2vvy h ASN 127 Cb 0.42 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 2vvy h ASN 127 CO 0.01 0.00 0.51 0.00 -1.65 0.00 0.00 177.43 176.30 2vvy h ALA 128 N 1.96 1.51 -0.73 -0.83 0.00 -1.28 0.91 119.26 120.81 2vvy h ALA 128 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2vvy h ALA 128 Cb 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2vvy h ALA 128 CO -0.00 0.42 0.32 1.25 0.00 0.00 0.00 179.25 181.23 2vvy h LEU 129 N 0.97 0.99 0.00 0.00 5.85 -0.95 -3.05 115.31 119.12 2vvy h LEU 129 Ca 0.30 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 2vvy h LEU 129 Cb -0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2vvy h LEU 129 CO -0.08 0.88 -0.49 -0.26 -0.34 0.00 0.00 178.44 178.15 2vvy h PHE 130 N 1.04 0.00 0.00 1.25 0.04 -1.10 -2.77 116.94 115.41 2vvy h PHE 130 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2vvy h PHE 130 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2vvy h PHE 130 CO 0.01 0.48 0.00 0.28 -0.60 0.00 0.00 178.31 178.49 2vvy n VAL 131 N -3.22 0.06 0.00 -0.55 0.31 0.21 -1.23 118.33 113.92 2vvy n VAL 131 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2vvy n VAL 131 Cb 0.73 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 2vvy n VAL 131 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2vvy n LEU 133 N 0.57 0.00 -0.48 7.52 4.77 -1.05 -4.73 117.00 123.61 2vvy n LEU 133 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2vvy n LEU 133 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2vvy n LEU 133 CO 0.00 0.00 0.02 1.21 -1.33 0.00 0.00 177.39 177.29 2vvy n GLU 134 N 0.00 0.06 0.00 3.23 4.07 -0.36 -4.77 120.64 122.87 2vvy n GLU 134 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2vvy n GLU 134 Cb 0.00 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.35 2vvy n GLU 134 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2vvy n LEU 136 N 0.43 0.00 0.00 4.31 4.77 -1.26 -5.12 117.00 120.12 2vvy n LEU 136 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2vvy n LEU 136 Cb 0.01 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2vvy n LEU 136 CO 0.00 0.00 0.30 -0.46 -1.33 0.00 0.00 177.39 175.90 2vvy n ASN 137 N 0.00 2.13 0.09 -1.43 0.23 -1.26 -5.00 115.26 110.02 2vvy n ASN 137 Ca 0.00 -2.53 0.00 0.00 -0.53 0.00 0.00 54.58 51.52 2vvy n ASN 137 Cb 0.00 -0.35 0.31 0.00 -2.08 0.00 0.00 39.78 37.66 2vvy n ASN 137 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2vvy h TYR 138 N 0.19 0.32 -0.06 -2.53 -0.00 -2.00 -1.87 116.97 111.02 2vvy h TYR 138 Ca -0.27 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.73 58.33 2vvy h TYR 138 Cb 1.20 -0.08 -0.01 0.00 -0.00 0.00 0.00 36.73 37.83 2vvy h TYR 138 CO 0.00 0.49 -0.31 0.28 -0.00 0.00 0.00 178.16 178.62 2vvy h VAL 139 N 0.27 1.25 -0.22 -0.90 2.07 -2.00 -2.46 116.25 114.26 2vvy h VAL 139 Ca 0.05 -1.17 -0.16 0.00 0.82 0.00 0.00 66.70 66.24 2vvy h VAL 139 Cb 0.53 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2vvy h VAL 139 CO 0.04 0.34 -0.51 0.44 0.02 0.00 0.00 177.57 177.90 2vvy h ASP 140 N 0.09 0.67 0.22 0.57 3.32 -1.74 -3.09 116.42 116.46 2vvy h ASP 140 Ca 0.01 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.65 2vvy h ASP 140 Cb 0.61 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2vvy h ASP 140 CO 0.04 1.06 -0.28 1.88 -1.72 0.00 0.00 179.24 180.22 2vvy h TYR 141 N 0.48 0.11 -0.17 4.55 0.05 -1.08 -1.76 116.97 119.15 2vvy h TYR 141 Ca 0.02 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 2vvy h TYR 141 Cb 1.05 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 2vvy h TYR 141 CO 0.05 0.37 -0.32 -0.91 -1.05 0.00 0.00 178.16 176.30 2vvy h ASN 142 N 0.09 0.33 0.03 3.88 4.21 -1.41 -2.25 115.58 120.46 2vvy h ASN 142 Ca 0.01 -0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 2vvy h ASN 142 Cb 0.54 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2vvy h ASN 142 CO 0.04 0.64 -0.02 0.40 -1.29 0.00 0.00 177.43 177.20 2vvy h ILE 143 N 0.29 1.24 0.00 2.81 2.04 -1.41 -3.26 117.51 119.22 2vvy h ILE 143 Ca 0.04 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2vvy h ILE 143 Cb 0.71 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2vvy h ILE 143 CO 0.05 0.39 0.00 -0.29 0.00 0.00 0.00 178.15 178.31 2vvy h ILE 144 N -0.93 0.00 -0.20 -0.67 6.09 -1.41 -0.83 117.51 119.57 2vvy h ILE 144 Ca -0.00 -0.30 0.06 0.00 -1.37 0.00 0.00 64.86 63.24 2vvy h ILE 144 Cb 0.68 1.26 -0.01 0.00 0.47 0.00 0.00 36.82 39.22 2vvy h ILE 144 CO 0.01 0.00 0.16 0.15 -3.07 0.00 0.00 178.15 175.40 2vvy h PHE 145 N 0.00 0.00 0.00 2.19 3.57 -1.44 -1.72 116.94 119.53 2vvy h PHE 145 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2vvy h PHE 145 Cb 0.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2vvy h PHE 145 CO 0.00 0.00 0.00 0.54 -2.23 0.00 0.00 178.31 176.62 2vvy n ARG 146 N -4.30 0.06 -1.24 1.11 5.12 -0.32 -2.55 116.66 114.54 2vvy n ARG 146 Ca 0.02 0.25 -0.28 0.00 -1.93 0.00 0.00 57.85 55.91 2vvy n ARG 146 Cb 0.30 -1.61 0.05 0.00 -1.16 0.00 0.00 32.46 30.04 2vvy n ARG 146 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2vvy n ARG 147 N -1.72 2.35 0.00 5.56 1.74 -0.65 -5.18 116.66 118.76 2vvy n ARG 147 Ca 0.04 -2.61 0.15 0.00 -0.77 0.00 0.00 57.85 54.66 2vvy n ARG 147 Cb 0.23 -2.03 0.70 0.00 -1.02 0.00 0.00 32.46 30.33 2vvy n ARG 147 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40