#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpx s MET 1 N 0.00 4.38 0.03 -0.41 1.75 -1.26 -4.96 119.30 118.83 1vpx s MET 1 Ca 0.00 2.11 -0.04 0.00 -1.25 0.00 0.00 55.69 56.51 1vpx s MET 1 Cb 0.00 -3.16 -0.05 0.00 2.84 0.00 0.00 34.83 34.46 1vpx s MET 1 CO 0.00 -0.25 0.25 0.15 -0.65 0.00 0.00 175.02 174.52 1vpx s LYS 2 N -0.45 3.52 -0.18 4.11 -0.14 -0.74 -5.02 119.74 120.83 1vpx s LYS 2 Ca 0.55 -0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.95 1vpx s LYS 2 Cb -0.38 -3.04 0.02 0.00 -1.68 0.00 0.00 37.83 32.75 1vpx s LYS 2 CO 0.41 0.62 -0.18 0.42 -0.76 0.00 0.00 175.35 175.87 1vpx s ILE 3 N -1.40 2.26 0.14 2.17 1.01 -1.26 -1.17 121.20 122.95 1vpx s ILE 3 Ca 0.31 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1vpx s ILE 3 Cb -0.13 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1vpx s ILE 3 CO 0.20 0.52 0.22 -0.36 0.00 0.00 0.00 174.94 175.52 1vpx s PHE 4 N 1.30 3.37 -0.16 3.97 0.08 -0.43 -0.39 117.98 125.72 1vpx s PHE 4 Ca 0.05 0.09 -0.09 0.00 0.12 0.00 0.00 56.93 57.11 1vpx s PHE 4 Cb -0.13 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 1vpx s PHE 4 CO -0.11 0.53 0.13 -0.51 -0.10 0.00 0.00 175.22 175.15 1vpx s LEU 5 N -3.03 4.25 -1.07 -0.37 1.43 -0.66 -1.41 118.68 117.81 1vpx s LEU 5 Ca 0.33 0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.54 1vpx s LEU 5 Cb -0.11 -2.07 0.08 0.00 0.03 0.00 0.00 46.19 44.12 1vpx s LEU 5 CO 0.26 0.28 1.44 -1.81 0.23 0.00 0.00 176.35 176.75 1vpx s ASP 6 N -0.22 6.64 0.08 2.29 1.01 0.11 -0.21 116.67 126.37 1vpx s ASP 6 Ca 0.11 -1.91 -0.27 0.00 0.71 0.00 0.00 52.55 51.20 1vpx s ASP 6 Cb -0.11 -2.52 0.08 0.00 1.01 0.00 0.00 42.92 41.38 1vpx s ASP 6 CO 0.01 -1.28 0.88 0.28 0.21 0.00 0.00 175.17 175.26 1vpx s THR 7 N 4.06 0.00 0.00 -1.27 -1.32 -1.02 -4.52 115.64 111.58 1vpx s THR 7 Ca 0.45 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1vpx s THR 7 Cb -0.00 -1.38 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 1vpx s THR 7 CO -0.05 0.00 0.67 0.00 -2.21 0.00 0.00 174.62 173.03 1vpx n ALA 8 N -0.34 1.98 -2.68 11.08 0.00 -1.26 -4.50 120.51 124.79 1vpx n ALA 8 Ca -0.08 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.26 1vpx n ALA 8 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 1vpx n ALA 8 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vpx s ASN 9 N -0.42 7.12 0.25 0.00 3.84 -1.26 -4.91 114.94 119.55 1vpx s ASN 9 Ca 0.00 1.38 0.12 0.00 0.21 0.00 0.00 52.86 54.57 1vpx s ASN 9 Cb 0.00 -2.52 0.21 0.00 -0.55 0.00 0.00 41.25 38.39 1vpx s ASN 9 CO 0.00 -0.48 1.51 -0.07 -2.79 0.00 0.00 177.10 175.27 1vpx h LEU 10 N 8.42 0.00 -0.06 3.21 -0.00 -1.98 -2.54 115.31 122.36 1vpx h LEU 10 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.59 1vpx h LEU 10 Cb 1.12 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1vpx h LEU 10 CO 0.88 0.65 0.00 -0.33 -0.00 0.00 0.00 178.44 179.64 1vpx h GLU 11 N 0.00 0.11 -0.77 1.13 3.07 -1.99 0.62 114.58 116.75 1vpx h GLU 11 Ca -0.01 -0.03 0.07 0.00 -0.50 0.00 0.00 59.36 58.89 1vpx h GLU 11 Cb 1.31 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 29.14 1vpx h GLU 11 CO 0.09 0.38 0.45 0.93 -1.40 0.00 0.00 179.01 179.45 1vpx h GLU 12 N -0.18 0.78 -0.54 2.33 5.08 -1.97 0.25 114.58 120.33 1vpx h GLU 12 Ca 0.02 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1vpx h GLU 12 Cb 0.33 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1vpx h GLU 12 CO 0.00 0.51 -0.02 0.82 -1.00 0.00 0.00 179.01 179.32 1vpx h ILE 13 N 0.80 1.27 -0.04 3.13 2.04 -1.39 -1.30 117.51 122.01 1vpx h ILE 13 Ca 0.35 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1vpx h ILE 13 Cb 0.24 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1vpx h ILE 13 CO -0.20 0.41 0.03 0.11 0.00 0.00 0.00 178.15 178.49 1vpx h LYS 14 N 0.84 0.06 -0.39 2.37 1.57 -0.24 -0.88 116.57 119.89 1vpx h LYS 14 Ca 0.15 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.01 1vpx h LYS 14 Cb 0.57 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.77 1vpx h LYS 14 CO 0.03 0.07 -0.28 0.87 -0.57 0.00 0.00 179.45 179.57 1vpx h LYS 15 N 0.04 -0.20 -0.87 3.15 1.57 -0.92 0.35 116.57 119.68 1vpx h LYS 15 Ca 0.02 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 1vpx h LYS 15 Cb 0.02 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 1vpx h LYS 15 CO -0.00 -0.14 0.48 0.78 -0.57 0.00 0.00 179.45 180.00 1vpx h GLY 16 N -0.21 1.40 1.39 3.86 0.00 -0.93 0.75 103.07 109.32 1vpx h GLY 16 Ca 0.18 -0.30 -0.27 0.00 0.00 0.00 0.00 47.33 46.94 1vpx h GLY 16 CO -0.51 0.04 -1.12 -2.08 0.00 0.00 0.00 176.54 172.87 1vpx h VAL 17 N 0.73 1.35 -0.93 4.60 2.07 -0.65 -2.49 116.25 120.93 1vpx h VAL 17 Ca 0.45 -2.51 0.14 0.00 0.82 0.00 0.00 66.70 65.60 1vpx h VAL 17 Cb 0.55 2.60 -0.09 0.00 -1.52 0.00 0.00 31.29 32.82 1vpx h VAL 17 CO -0.31 0.76 0.54 -0.08 0.02 0.00 0.00 177.57 178.50 1vpx h GLU 18 N 0.25 0.77 0.00 1.57 4.22 0.47 -0.79 114.58 121.08 1vpx h GLU 18 Ca -0.14 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.25 1vpx h GLU 18 Cb 1.79 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1vpx h GLU 18 CO 0.21 0.51 0.00 -1.49 -2.18 0.00 0.00 179.01 176.06 1vpx h TRP 19 N 0.80 0.00 -1.52 0.92 6.55 -0.85 -3.47 115.95 118.37 1vpx h TRP 19 Ca 0.49 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 60.15 1vpx h TRP 19 Cb 0.62 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.92 1vpx h TRP 19 CO -0.04 0.00 -0.24 0.41 -1.05 0.00 0.00 178.44 177.52 1vpx n GLY 20 N 0.66 0.03 0.00 1.49 0.00 -0.30 -4.92 105.19 102.15 1vpx n GLY 20 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1vpx n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vpx n ILE 21 N -3.96 0.00 -3.83 -0.61 -5.35 -0.97 -4.99 119.36 99.64 1vpx n ILE 21 Ca -0.10 -0.36 -0.36 0.00 -0.27 0.00 0.00 62.75 61.67 1vpx n ILE 21 Cb 0.58 0.87 -0.11 0.00 -1.74 0.00 0.00 39.64 39.23 1vpx n ILE 21 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1vpx s VAL 22 N -1.24 4.73 -0.56 7.28 1.01 -1.06 -4.26 120.40 126.30 1vpx s VAL 22 Ca 0.00 -0.04 0.19 0.00 0.00 0.00 0.00 61.98 62.13 1vpx s VAL 22 Cb 0.00 -3.18 -0.24 0.00 0.00 0.00 0.00 36.38 32.96 1vpx s VAL 22 CO 0.00 0.38 0.65 0.47 0.00 0.00 0.00 175.10 176.59 1vpx n ASP 23 N 4.33 0.78 -2.43 3.32 8.00 0.48 -4.67 116.55 126.36 1vpx n ASP 23 Ca -0.16 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1vpx n ASP 23 Cb 0.52 1.33 0.01 0.00 -0.02 0.00 0.00 41.12 42.95 1vpx n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vpx n GLY 24 N 1.43 0.60 2.92 0.44 0.00 -1.23 -3.75 105.19 105.61 1vpx n GLY 24 Ca 0.01 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1vpx n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vpx s VAL 25 N -2.16 -0.02 -0.09 1.61 1.01 0.07 -1.66 120.40 119.16 1vpx s VAL 25 Ca 0.15 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1vpx s VAL 25 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 1vpx s VAL 25 CO 0.01 0.03 -0.13 -0.89 0.00 0.00 0.00 175.10 174.12 1vpx s THR 26 N 0.39 3.15 0.22 3.92 2.01 0.70 -0.92 115.64 125.11 1vpx s THR 26 Ca -0.03 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.35 1vpx s THR 26 Cb -0.04 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1vpx s THR 26 CO -0.01 0.56 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.56 1vpx s THR 27 N -0.22 1.08 0.01 -0.82 2.01 -0.73 -2.43 115.64 114.54 1vpx s THR 27 Ca 0.01 -2.04 -0.19 0.00 0.31 0.00 0.00 61.69 59.78 1vpx s THR 27 Cb -0.13 -2.28 0.04 0.00 0.01 0.00 0.00 72.50 70.14 1vpx s THR 27 CO 0.03 -0.38 0.42 0.54 -0.69 0.00 0.00 174.62 174.54 1vpx s ASN 28 N -3.29 -0.32 0.50 3.53 2.20 -1.26 -4.56 114.94 111.74 1vpx s ASN 28 Ca 0.27 0.15 0.26 0.00 -0.94 0.00 0.00 52.86 52.60 1vpx s ASN 28 Cb 0.05 0.40 1.31 0.00 -2.00 0.00 0.00 41.25 41.02 1vpx s ASN 28 CO 0.08 -0.58 2.02 1.55 -2.94 0.00 0.00 177.10 177.23 1vpx h PRO 29 N 3.31 0.00 -0.23 3.55 0.13 -1.97 0.16 132.00 136.96 1vpx h PRO 29 Ca -0.30 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.87 1vpx h PRO 29 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1vpx h PRO 29 CO 0.41 0.15 -0.53 1.15 -0.23 0.00 0.00 178.00 178.96 1vpx h THR 30 N 0.00 0.02 -0.05 1.56 2.02 -1.98 0.51 112.91 114.98 1vpx h THR 30 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1vpx h THR 30 Cb 0.41 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1vpx h THR 30 CO 0.02 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.82 1vpx h LEU 31 N -0.51 0.10 -0.71 2.58 4.07 -1.81 -0.39 115.31 118.65 1vpx h LEU 31 Ca 0.05 -0.39 0.09 0.00 0.08 0.00 0.00 57.88 57.72 1vpx h LEU 31 Cb 0.65 -0.03 -0.11 0.00 1.08 0.00 0.00 40.66 42.25 1vpx h LEU 31 CO -0.49 0.47 -0.48 0.16 -1.08 0.00 0.00 178.44 177.02 1vpx h ILE 32 N -0.26 0.04 -0.40 1.22 -0.00 -0.51 0.54 117.51 118.14 1vpx h ILE 32 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 64.86 64.83 1vpx h ILE 32 Cb 0.42 0.04 -0.02 0.00 -0.00 0.00 0.00 36.82 37.27 1vpx h ILE 32 CO 0.01 0.00 0.07 -1.28 -0.00 0.00 0.00 178.15 176.94 1vpx h SER 33 N -0.17 0.64 0.00 2.16 0.87 -0.00 -3.49 113.55 113.56 1vpx h SER 33 Ca 0.19 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1vpx h SER 33 Cb 0.54 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1vpx h SER 33 CO -0.78 0.73 0.93 1.17 -0.53 0.00 0.00 176.83 178.36 1vpx n LYS 34 N -4.52 0.03 0.00 2.24 4.81 0.18 -5.09 118.16 115.80 1vpx n LYS 34 Ca -0.01 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1vpx n LYS 34 Cb 0.23 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 32.80 1vpx n LYS 34 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1vpx n ARG 42 N -2.31 0.00 -0.29 1.64 3.00 -1.26 -5.08 116.66 112.36 1vpx n ARG 42 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.80 1vpx n ARG 42 Cb 0.93 0.00 0.10 0.00 0.00 0.00 0.00 32.46 33.49 1vpx n ARG 42 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1vpx h VAL 43 N 0.00 1.25 -0.07 1.55 -1.51 -1.99 -0.75 116.25 114.74 1vpx h VAL 43 Ca 0.00 -0.73 -0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1vpx h VAL 43 Cb 0.00 0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 29.37 1vpx h VAL 43 CO 0.00 0.31 0.04 0.07 -1.23 0.00 0.00 177.57 176.76 1vpx h LYS 44 N 1.17 0.09 -0.84 5.19 -0.00 -1.99 -1.12 116.57 119.07 1vpx h LYS 44 Ca 0.28 -0.01 0.01 0.00 -0.00 0.00 0.00 60.65 60.93 1vpx h LYS 44 Cb 0.13 -0.02 -0.04 0.00 -0.00 0.00 0.00 32.23 32.30 1vpx h LYS 44 CO -0.03 0.14 0.56 1.05 -0.00 0.00 0.00 179.45 181.17 1vpx h GLU 45 N 0.02 1.10 -0.47 0.07 -0.00 -1.87 -1.54 114.58 111.87 1vpx h GLU 45 Ca 0.02 -0.07 -0.07 0.00 -0.00 0.00 0.00 59.36 59.25 1vpx h GLU 45 Cb 0.08 -0.25 -0.02 0.00 -0.00 0.00 0.00 28.75 28.56 1vpx h GLU 45 CO -0.00 0.73 0.03 0.82 -0.00 0.00 0.00 179.01 180.59 1vpx h ILE 46 N 1.13 1.26 -0.30 -1.06 2.04 -1.06 -2.37 117.51 117.15 1vpx h ILE 46 Ca 0.31 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.21 1vpx h ILE 46 Cb -0.12 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1vpx h ILE 46 CO -0.07 0.35 0.06 0.00 0.00 0.00 0.00 178.15 178.49 1vpx h ASP 48 N 0.17 0.67 0.04 0.00 3.32 -1.20 0.11 116.42 119.52 1vpx h ASP 48 Ca 0.14 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1vpx h ASP 48 Cb 0.15 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.54 1vpx h ASP 48 CO -0.18 0.51 -0.24 0.25 -1.72 0.00 0.00 179.24 177.85 1vpx h LEU 49 N 0.77 0.14 0.00 1.55 6.46 -0.85 -3.36 115.31 120.02 1vpx h LEU 49 Ca 0.20 -0.98 -0.18 0.00 -0.12 0.00 0.00 57.88 56.80 1vpx h LEU 49 Cb -0.03 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1vpx h LEU 49 CO -0.04 1.12 -1.01 1.62 -0.62 0.00 0.00 178.44 179.51 1vpx h VAL 50 N -0.81 1.09 -6.67 1.05 3.04 -1.04 -3.48 116.25 109.43 1vpx h VAL 50 Ca -0.04 -2.66 -0.53 0.00 -1.01 0.00 0.00 66.70 62.45 1vpx h VAL 50 Cb 1.19 2.50 -0.08 0.00 -2.01 0.00 0.00 31.29 32.89 1vpx h VAL 50 CO 0.05 0.62 -0.93 0.29 -1.01 0.00 0.00 177.57 176.59 1vpx n LYS 51 N -3.18 -2.16 -3.83 4.17 5.02 0.37 -4.84 118.16 113.72 1vpx n LYS 51 Ca -0.03 0.29 -0.06 0.00 -2.02 0.00 0.00 58.31 56.49 1vpx n LYS 51 Cb 0.87 -4.04 0.01 0.00 -0.02 0.00 0.00 35.03 31.85 1vpx n LYS 51 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1vpx s GLY 52 N -4.21 0.14 -0.01 0.72 0.00 -1.26 -5.02 107.32 97.68 1vpx s GLY 52 Ca 0.10 -0.45 -0.35 0.00 0.00 0.00 0.00 44.72 44.01 1vpx s GLY 52 CO 0.92 0.42 1.67 -1.55 0.00 0.00 0.00 173.10 174.56 1vpx n PRO 53 N -0.55 1.84 -4.02 2.90 -0.04 -1.25 -4.74 135.00 129.14 1vpx n PRO 53 Ca -0.06 0.67 -0.31 0.00 -0.04 0.00 0.00 63.50 63.76 1vpx n PRO 53 Cb 0.60 -2.43 -0.15 0.00 -0.04 0.00 0.00 33.50 31.48 1vpx n PRO 53 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1vpx s VAL 54 N 2.35 2.02 -0.07 0.52 1.01 -0.40 -0.75 120.40 125.07 1vpx s VAL 54 Ca 0.88 -1.70 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 1vpx s VAL 54 Cb -0.79 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1vpx s VAL 54 CO 0.48 -0.20 0.84 -0.44 0.00 0.00 0.00 175.10 175.79 1vpx s SER 55 N 1.13 7.12 -0.01 3.32 0.01 -0.10 -0.92 113.70 124.26 1vpx s SER 55 Ca -0.03 1.36 0.01 0.00 1.31 0.00 0.00 55.95 58.60 1vpx s SER 55 Cb -0.19 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1vpx s SER 55 CO -0.07 -0.26 -0.04 0.00 0.41 0.00 0.00 173.24 173.28 1vpx s ALA 56 N 1.29 0.41 0.25 1.44 0.00 -0.14 -1.78 121.76 123.22 1vpx s ALA 56 Ca 0.43 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 1vpx s ALA 56 Cb -0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 1vpx s ALA 56 CO 0.20 0.08 0.62 -1.83 0.00 0.00 0.00 175.76 174.83 1vpx s GLU 57 N 0.05 3.91 0.41 0.00 -1.05 -1.26 -0.77 118.70 120.00 1vpx s GLU 57 Ca -0.00 0.47 -0.05 0.00 -0.15 0.00 0.00 54.97 55.23 1vpx s GLU 57 Cb -0.04 -2.62 -0.04 0.00 -0.44 0.00 0.00 34.13 30.99 1vpx s GLU 57 CO -0.00 0.29 0.70 0.14 0.95 0.00 0.00 175.26 177.34 1vpx s VAL 58 N -1.82 4.93 -0.13 1.83 -7.23 -1.24 -4.92 120.40 111.83 1vpx s VAL 58 Ca 0.48 0.16 -0.25 0.00 -1.81 0.00 0.00 61.98 60.56 1vpx s VAL 58 Cb -0.12 -3.81 -0.26 0.00 0.56 0.00 0.00 36.38 32.75 1vpx s VAL 58 CO 0.20 -0.64 0.70 0.58 -0.31 0.00 0.00 175.10 175.62 1vpx h VAL 59 N 0.68 1.54 -4.23 1.32 2.07 -1.96 -3.48 116.25 112.20 1vpx h VAL 59 Ca -0.48 -2.37 -0.51 0.00 0.82 0.00 0.00 66.70 64.17 1vpx h VAL 59 Cb 1.20 3.12 0.10 0.00 -1.52 0.00 0.00 31.29 34.20 1vpx h VAL 59 CO 0.63 0.60 0.36 -0.55 0.02 0.00 0.00 177.57 178.63 1vpx s SER 60 N -6.55 5.09 -0.00 0.57 0.15 -1.26 -4.98 113.70 106.71 1vpx s SER 60 Ca -0.19 1.91 0.04 0.00 0.70 0.00 0.00 55.95 58.40 1vpx s SER 60 Cb -0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1vpx s SER 60 CO 0.71 -1.64 0.14 0.18 1.20 0.00 0.00 173.24 173.83 1vpx n LEU 61 N -2.65 0.14 -4.84 3.45 4.77 -1.26 -4.56 117.00 112.04 1vpx n LEU 61 Ca 0.10 -0.40 -0.32 0.00 -0.03 0.00 0.00 56.01 55.36 1vpx n LEU 61 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1vpx n LEU 61 CO 0.49 0.03 0.55 1.51 -1.33 0.00 0.00 177.39 178.65 1vpx s ASP 62 N -1.57 6.74 0.15 -1.43 1.47 -1.26 -4.74 116.67 116.03 1vpx s ASP 62 Ca 0.01 1.44 -0.17 0.00 1.18 0.00 0.00 52.55 55.01 1vpx s ASP 62 Cb 0.03 -2.45 0.05 0.00 -0.34 0.00 0.00 42.92 40.22 1vpx s ASP 62 CO 0.15 -0.38 1.71 0.22 0.68 0.00 0.00 175.17 177.55 1vpx h TYR 63 N 1.64 0.00 -0.25 2.11 3.20 -1.95 -0.77 116.97 120.94 1vpx h TYR 63 Ca -0.48 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 1vpx h TYR 63 Cb 1.18 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1vpx h TYR 63 CO 0.62 -0.05 0.10 0.93 -1.64 0.00 0.00 178.16 178.13 1vpx h GLU 64 N 0.11 0.38 -0.63 1.82 3.07 -1.94 -2.08 114.58 115.30 1vpx h GLU 64 Ca 0.16 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 1vpx h GLU 64 Cb 0.21 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 1vpx h GLU 64 CO -0.25 0.42 0.09 0.78 -1.40 0.00 0.00 179.01 178.65 1vpx h GLY 65 N 0.26 1.12 0.97 -3.84 0.00 -1.92 -1.48 103.07 98.17 1vpx h GLY 65 Ca 0.08 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1vpx h GLY 65 CO -0.01 0.68 0.22 -0.33 0.00 0.00 0.00 176.54 177.11 1vpx h MET 66 N 0.98 0.69 -0.24 4.80 2.86 -1.02 -0.94 114.93 122.05 1vpx h MET 66 Ca 0.19 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1vpx h MET 66 Cb 0.43 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1vpx h MET 66 CO 0.01 0.59 -0.22 -0.24 1.06 0.00 0.00 176.91 178.11 1vpx h VAL 67 N 0.62 1.32 -0.27 -2.22 3.04 -1.29 -0.10 116.25 117.34 1vpx h VAL 67 Ca 0.16 -1.37 0.06 0.00 -1.01 0.00 0.00 66.70 64.54 1vpx h VAL 67 Cb 0.13 1.67 -0.06 0.00 -2.01 0.00 0.00 31.29 31.02 1vpx h VAL 67 CO -0.02 0.43 -0.12 -0.09 -1.01 0.00 0.00 177.57 176.75 1vpx h ARG 68 N 0.28 -0.08 -0.17 4.17 2.43 -1.22 -1.58 114.38 118.20 1vpx h ARG 68 Ca 0.04 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1vpx h ARG 68 Cb 0.77 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1vpx h ARG 68 CO 0.06 -0.05 -0.52 0.93 -1.51 0.00 0.00 179.97 178.87 1vpx h GLU 69 N -0.08 0.47 -0.56 0.20 5.08 -1.11 -2.76 114.58 115.81 1vpx h GLU 69 Ca 0.14 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1vpx h GLU 69 Cb 0.30 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1vpx h GLU 69 CO -0.33 0.88 0.36 0.00 -1.00 0.00 0.00 179.01 178.93 1vpx h ALA 70 N 1.06 0.72 -0.85 3.43 0.00 -0.76 -0.55 119.26 122.31 1vpx h ALA 70 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vpx h ALA 70 Cb 1.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1vpx h ALA 70 CO 0.09 0.12 0.53 0.00 0.00 0.00 0.00 179.25 180.00 1vpx h ARG 71 N 0.73 1.14 -0.11 0.00 3.08 -1.13 0.17 114.38 118.27 1vpx h ARG 71 Ca 0.21 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1vpx h ARG 71 Cb -0.05 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.75 1vpx h ARG 71 CO -0.06 0.79 0.03 1.49 -1.07 0.00 0.00 179.97 181.15 1vpx h GLU 72 N 1.16 0.17 -0.72 0.04 4.81 -1.19 -2.94 114.58 115.91 1vpx h GLU 72 Ca 0.31 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1vpx h GLU 72 Cb -0.08 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1vpx h GLU 72 CO -0.06 0.32 0.29 -0.07 -0.73 0.00 0.00 179.01 178.76 1vpx h LEU 73 N -0.01 0.98 -1.70 1.64 3.38 -0.86 -2.78 115.31 115.96 1vpx h LEU 73 Ca 0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1vpx h LEU 73 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1vpx h LEU 73 CO -0.00 0.86 -0.17 0.00 0.09 0.00 0.00 178.44 179.23 1vpx h ALA 74 N 1.28 1.64 0.00 1.53 0.00 -0.91 -1.61 119.26 121.19 1vpx h ALA 74 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vpx h ALA 74 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vpx h ALA 74 CO -0.02 0.21 0.00 1.96 0.00 0.00 0.00 179.25 181.40 1vpx h GLN 75 N 0.00 0.00 -0.65 0.00 4.20 -1.31 -3.11 115.11 114.24 1vpx h GLN 75 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1vpx h GLN 75 Cb 0.31 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1vpx h GLN 75 CO 0.02 0.00 0.21 0.82 -0.67 0.00 0.00 178.83 179.21 1vpx h ILE 76 N 0.00 1.25 -1.75 2.54 2.04 -1.40 -3.46 117.51 116.73 1vpx h ILE 76 Ca 0.00 -0.84 0.09 0.00 1.00 0.00 0.00 64.86 65.11 1vpx h ILE 76 Cb 0.23 0.57 -0.21 0.00 -0.74 0.00 0.00 36.82 36.68 1vpx h ILE 76 CO 0.00 0.32 0.53 -0.55 0.00 0.00 0.00 178.15 178.45 1vpx s SER 77 N -6.25 -0.38 0.61 1.72 0.15 -1.18 -4.96 113.70 103.42 1vpx s SER 77 Ca -0.13 0.31 0.39 0.00 0.70 0.00 0.00 55.95 57.22 1vpx s SER 77 Cb 0.14 0.33 1.91 0.00 -1.71 0.00 0.00 66.02 66.69 1vpx s SER 77 CO 0.82 -0.42 2.19 -0.33 1.20 0.00 0.00 173.24 176.70 1vpx h GLU 78 N 2.43 0.00 0.00 5.44 5.08 -1.90 -2.72 114.58 122.90 1vpx h GLU 78 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1vpx h GLU 78 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1vpx h GLU 78 CO 0.31 0.01 -0.16 1.88 -1.00 0.00 0.00 179.01 180.05 1vpx h TYR 79 N 0.00 0.00 -3.15 4.33 0.05 -1.92 -3.47 116.97 112.81 1vpx h TYR 79 Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1vpx h TYR 79 Cb 0.24 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.02 1vpx h TYR 79 CO 0.00 0.00 0.75 0.08 -1.05 0.00 0.00 178.16 177.94 1vpx s VAL 80 N -3.14 2.95 -0.05 -2.88 1.01 -1.03 -1.27 120.40 115.99 1vpx s VAL 80 Ca 0.09 0.73 0.05 0.00 0.00 0.00 0.00 61.98 62.85 1vpx s VAL 80 Cb 0.11 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1vpx s VAL 80 CO 0.64 0.08 -0.20 0.54 0.00 0.00 0.00 175.10 176.16 1vpx s VAL 81 N 0.59 1.70 -0.21 2.92 0.11 -0.09 -4.63 120.40 120.78 1vpx s VAL 81 Ca 0.63 -0.86 -0.20 0.00 -2.93 0.00 0.00 61.98 58.62 1vpx s VAL 81 Cb -0.40 -1.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.97 1vpx s VAL 81 CO 0.36 0.48 0.59 -0.63 -3.33 0.00 0.00 175.10 172.57 1vpx s ILE 82 N 0.00 5.04 -0.09 7.04 -1.09 -0.16 -0.97 121.20 130.97 1vpx s ILE 82 Ca -0.05 1.09 -0.30 0.00 -2.23 0.00 0.00 60.65 59.16 1vpx s ILE 82 Cb -0.13 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 1vpx s ILE 82 CO 0.03 0.12 1.12 -0.54 -1.23 0.00 0.00 174.94 174.44 1vpx s LYS 83 N 1.93 4.36 -0.11 2.79 1.02 0.05 -0.08 119.74 129.70 1vpx s LYS 83 Ca 0.26 1.55 0.03 0.00 0.02 0.00 0.00 55.97 57.83 1vpx s LYS 83 Cb -0.16 -3.57 0.01 0.00 -0.52 0.00 0.00 37.83 33.59 1vpx s LYS 83 CO 0.10 -0.43 -0.20 0.42 -0.92 0.00 0.00 175.35 174.32 1vpx s ILE 84 N 2.30 1.84 0.52 2.17 -1.09 -0.08 -3.71 121.20 123.15 1vpx s ILE 84 Ca 0.52 -0.86 -0.21 0.00 -2.23 0.00 0.00 60.65 57.87 1vpx s ILE 84 Cb -0.21 -1.63 -0.06 0.00 -1.58 0.00 0.00 42.46 38.98 1vpx s ILE 84 CO 0.19 0.51 1.21 -2.84 -1.23 0.00 0.00 174.94 172.78 1vpx s PRO 85 N 0.71 3.38 -0.85 2.79 0.02 -1.26 -0.51 135.00 139.28 1vpx s PRO 85 Ca -0.11 1.87 -0.25 0.00 0.02 0.00 0.00 61.00 62.53 1vpx s PRO 85 Cb -0.16 -2.21 -0.03 0.00 0.02 0.00 0.00 34.50 32.12 1vpx s PRO 85 CO 0.02 -0.89 1.88 1.41 -0.33 0.00 0.00 177.00 179.09 1vpx s MET 86 N -2.97 2.66 0.14 5.54 1.75 -0.15 -4.41 119.30 121.86 1vpx s MET 86 Ca 0.70 -0.18 -0.03 0.00 -1.25 0.00 0.00 55.69 54.93 1vpx s MET 86 Cb -0.31 -4.94 -0.03 0.00 2.84 0.00 0.00 34.83 32.39 1vpx s MET 86 CO 0.36 -3.14 0.12 0.95 -0.65 0.00 0.00 175.02 172.66 1vpx s THR 87 N 9.42 0.09 0.16 10.11 -4.23 -1.26 -5.00 115.64 124.93 1vpx s THR 87 Ca 0.67 -1.79 -0.17 0.00 -1.18 0.00 0.00 61.69 59.23 1vpx s THR 87 Cb -0.07 -2.03 0.07 0.00 1.34 0.00 0.00 72.50 71.81 1vpx s THR 87 CO 0.03 -0.39 1.69 -0.65 -0.54 0.00 0.00 174.62 174.76 1vpx h PRO 88 N 2.76 0.05 -0.74 3.99 0.11 -1.99 0.11 132.00 136.29 1vpx h PRO 88 Ca -0.34 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.81 1vpx h PRO 88 Cb 1.21 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1vpx h PRO 88 CO 0.56 0.04 0.45 -0.44 -0.21 0.00 0.00 178.00 178.40 1vpx h ASP 89 N 0.06 0.72 -0.70 -2.05 5.19 -1.94 -0.97 116.42 116.73 1vpx h ASP 89 Ca 0.19 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1vpx h ASP 89 Cb 0.28 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 1vpx h ASP 89 CO -0.35 0.48 0.40 1.23 -3.12 0.00 0.00 179.24 177.88 1vpx h GLY 90 N 0.86 1.05 1.21 2.75 0.00 -1.52 0.04 103.07 107.46 1vpx h GLY 90 Ca 0.31 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 1vpx h GLY 90 CO -0.14 0.43 -0.55 -2.22 0.00 0.00 0.00 176.54 174.06 1vpx h ILE 91 N 0.99 1.28 -0.80 2.60 2.04 -0.39 -1.63 117.51 121.60 1vpx h ILE 91 Ca 0.25 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1vpx h ILE 91 Cb 0.00 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1vpx h ILE 91 CO -0.04 0.57 0.51 0.50 0.00 0.00 0.00 178.15 179.68 1vpx h LYS 92 N 0.63 1.07 -0.66 2.37 3.64 -0.81 -1.68 116.57 121.13 1vpx h LYS 92 Ca 0.01 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1vpx h LYS 92 Cb 1.15 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 1vpx h LYS 92 CO 0.12 0.73 0.35 0.00 -2.27 0.00 0.00 179.45 178.38 1vpx h ALA 93 N 1.27 0.85 -0.56 5.00 0.00 -0.87 -2.26 119.26 122.69 1vpx h ALA 93 Ca 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1vpx h ALA 93 Cb -0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1vpx h ALA 93 CO -0.06 0.37 0.28 0.28 0.00 0.00 0.00 179.25 180.13 1vpx h VAL 94 N 0.90 1.20 -0.37 0.00 2.07 -0.95 0.30 116.25 119.41 1vpx h VAL 94 Ca 0.23 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1vpx h VAL 94 Cb 0.06 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1vpx h VAL 94 CO -0.04 0.22 0.13 0.50 0.02 0.00 0.00 177.57 178.41 1vpx h LYS 95 N 0.76 0.28 -0.20 1.57 3.11 -1.09 0.91 116.57 121.91 1vpx h LYS 95 Ca 0.19 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.96 1vpx h LYS 95 Cb 0.10 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.26 1vpx h LYS 95 CO -0.03 0.19 -0.09 1.15 -2.81 0.00 0.00 179.45 177.86 1vpx h THR 96 N 0.29 1.30 -0.56 1.00 2.02 -1.05 -2.91 112.91 113.00 1vpx h THR 96 Ca 0.17 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.11 1vpx h THR 96 Cb 0.14 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1vpx h THR 96 CO -0.17 0.34 -0.07 -0.07 0.37 0.00 0.00 175.52 175.92 1vpx h LEU 97 N 0.10 1.01 -0.47 2.58 3.38 -0.16 -2.67 115.31 119.08 1vpx h LEU 97 Ca 0.04 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1vpx h LEU 97 Cb 0.56 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1vpx h LEU 97 CO 0.03 1.10 0.25 0.28 0.09 0.00 0.00 178.44 180.19 1vpx h SER 98 N 0.92 0.38 0.01 -0.43 0.02 -0.87 -0.34 113.55 113.23 1vpx h SER 98 Ca 0.15 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1vpx h SER 98 Cb 0.63 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1vpx h SER 98 CO 0.04 0.27 -0.00 0.00 -1.14 0.00 0.00 176.83 176.00 1vpx h ALA 99 N 1.24 1.52 -0.37 3.77 0.00 -1.27 -0.71 119.26 123.44 1vpx h ALA 99 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1vpx h ALA 99 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1vpx h ALA 99 CO -0.12 0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.52 1vpx n GLU 100 N -3.84 2.13 -1.18 0.00 1.02 -0.71 -4.94 120.64 113.12 1vpx n GLU 100 Ca -0.03 -1.72 -0.06 0.00 -0.02 0.00 0.00 57.16 55.33 1vpx n GLU 100 Cb 0.09 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 1vpx n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vpx n GLY 101 N 1.31 0.85 3.67 0.62 0.00 -0.27 -5.01 105.19 106.36 1vpx n GLY 101 Ca 0.17 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1vpx n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vpx s ILE 102 N -2.20 5.26 0.28 -0.61 1.01 -0.22 -5.01 121.20 119.71 1vpx s ILE 102 Ca 0.00 0.50 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 1vpx s ILE 102 Cb 0.00 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 1vpx s ILE 102 CO 0.00 0.29 1.04 -0.54 0.00 0.00 0.00 174.94 175.73 1vpx s LYS 103 N 1.21 4.68 0.07 2.79 1.02 -1.26 -3.83 119.74 124.41 1vpx s LYS 103 Ca 0.15 1.68 0.05 0.00 0.02 0.00 0.00 55.97 57.86 1vpx s LYS 103 Cb -0.14 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1vpx s LYS 103 CO 0.07 0.29 -0.14 0.95 -0.92 0.00 0.00 175.35 175.59 1vpx s THR 104 N -1.21 1.10 -0.28 2.17 -4.23 -1.26 -0.99 115.64 110.94 1vpx s THR 104 Ca 0.44 -1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1vpx s THR 104 Cb -0.29 -1.06 0.09 0.00 1.34 0.00 0.00 72.50 72.57 1vpx s THR 104 CO 0.37 -0.22 0.06 0.21 -0.54 0.00 0.00 174.62 174.51 1vpx s ASN 105 N -1.71 3.79 -0.17 3.99 3.84 0.88 -0.64 114.94 124.92 1vpx s ASN 105 Ca -0.02 -1.42 -0.28 0.00 0.21 0.00 0.00 52.86 51.35 1vpx s ASN 105 Cb -0.10 -0.87 -0.00 0.00 -0.55 0.00 0.00 41.25 39.73 1vpx s ASN 105 CO 0.02 -0.37 0.98 -0.69 -2.79 0.00 0.00 177.10 174.26 1vpx s VAL 106 N 1.62 4.76 0.44 -5.21 1.01 -0.18 -0.90 120.40 121.94 1vpx s VAL 106 Ca 0.05 1.95 0.06 0.00 0.00 0.00 0.00 61.98 64.05 1vpx s VAL 106 Cb -0.17 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 1vpx s VAL 106 CO -0.18 -0.07 0.14 0.28 0.00 0.00 0.00 175.10 175.26 1vpx s THR 107 N 2.56 2.03 -1.27 3.92 -1.32 0.34 -0.43 115.64 121.47 1vpx s THR 107 Ca 0.44 -1.79 -0.02 0.00 -1.21 0.00 0.00 61.69 59.12 1vpx s THR 107 Cb -0.17 -2.82 0.01 0.00 -1.51 0.00 0.00 72.50 68.01 1vpx s THR 107 CO 0.12 0.00 0.92 0.18 -2.21 0.00 0.00 174.62 173.63 1vpx n LEU 108 N -1.22 -3.58 -4.61 9.08 4.77 -1.25 -0.98 117.00 119.21 1vpx n LEU 108 Ca -0.04 -0.69 -0.37 0.00 -0.03 0.00 0.00 56.01 54.88 1vpx n LEU 108 Cb 0.65 -2.93 -0.10 0.00 -2.33 0.00 0.00 43.42 38.71 1vpx n LEU 108 CO 0.45 0.43 -0.19 -0.69 -1.33 0.00 0.00 177.39 176.06 1vpx s VAL 109 N -3.45 5.19 0.00 4.08 1.01 -1.21 -4.49 120.40 121.52 1vpx s VAL 109 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1vpx s VAL 109 Cb -0.05 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1vpx s VAL 109 CO 0.76 0.31 0.49 0.49 0.00 0.00 0.00 175.10 177.16 1vpx n PHE 110 N 4.62 0.00 -3.86 5.22 3.72 -1.26 -1.48 117.46 124.42 1vpx n PHE 110 Ca -0.15 -0.09 -0.11 0.00 -0.05 0.00 0.00 57.45 57.05 1vpx n PHE 110 Cb 0.52 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.96 1vpx n PHE 110 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1vpx s SER 111 N -0.18 0.05 0.38 4.37 1.04 -1.26 -5.03 113.70 113.07 1vpx s SER 111 Ca 0.00 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.17 1vpx s SER 111 Cb 0.00 0.26 0.75 0.00 0.10 0.00 0.00 66.02 67.13 1vpx s SER 111 CO 0.00 -0.50 1.94 -0.65 0.98 0.00 0.00 173.24 175.01 1vpx h PRO 112 N 3.71 0.41 -0.25 4.02 0.11 -1.96 -2.75 132.00 135.28 1vpx h PRO 112 Ca -0.32 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.74 1vpx h PRO 112 Cb 1.19 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1vpx h PRO 112 CO 0.46 0.42 0.13 0.00 -0.21 0.00 0.00 178.00 178.81 1vpx h ALA 113 N 1.63 0.30 -0.62 -0.75 0.00 -2.00 -1.53 119.26 116.30 1vpx h ALA 113 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1vpx h ALA 113 Cb 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1vpx h ALA 113 CO 0.00 -0.27 0.39 1.96 0.00 0.00 0.00 179.25 181.34 1vpx h GLN 114 N 0.27 0.76 -0.07 0.00 4.20 -1.94 -2.63 115.11 115.70 1vpx h GLN 114 Ca 0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1vpx h GLN 114 Cb 0.02 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1vpx h GLN 114 CO -0.07 0.50 -0.07 0.00 -0.67 0.00 0.00 178.83 178.52 1vpx h ALA 115 N 1.26 1.76 0.02 3.87 0.00 -1.17 -1.45 119.26 123.54 1vpx h ALA 115 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vpx h ALA 115 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1vpx h ALA 115 CO -0.09 0.18 -0.01 0.82 0.00 0.00 0.00 179.25 180.16 1vpx h ILE 116 N 0.09 1.18 -0.85 0.00 2.04 -0.92 -2.58 117.51 116.47 1vpx h ILE 116 Ca 0.02 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1vpx h ILE 116 Cb 0.20 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1vpx h ILE 116 CO 0.01 0.16 0.56 -0.07 0.00 0.00 0.00 178.15 178.81 1vpx h LEU 117 N -0.28 0.95 -0.11 1.44 3.38 -1.23 -0.08 115.31 119.39 1vpx h LEU 117 Ca -0.00 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1vpx h LEU 117 Cb 0.27 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1vpx h LEU 117 CO 0.00 0.68 -0.16 0.00 0.09 0.00 0.00 178.44 179.05 1vpx h ALA 118 N 1.33 -0.10 -0.41 1.53 0.00 -1.29 -0.55 119.26 119.76 1vpx h ALA 118 Ca 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1vpx h ALA 118 Cb -0.08 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1vpx h ALA 118 CO -0.09 -0.62 0.18 0.00 0.00 0.00 0.00 179.25 178.73 1vpx h ALA 119 N 0.82 0.53 -0.31 0.00 0.00 -1.02 -1.99 119.26 117.29 1vpx h ALA 119 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1vpx h ALA 119 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1vpx h ALA 119 CO -0.23 0.11 0.05 0.87 0.00 0.00 0.00 179.25 180.04 1vpx h LYS 120 N 0.52 0.46 0.00 0.00 1.79 -0.78 -1.39 116.57 117.17 1vpx h LYS 120 Ca 0.14 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1vpx h LYS 120 Cb 0.15 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1vpx h LYS 120 CO -0.02 0.45 0.00 0.00 -1.08 0.00 0.00 179.45 178.80 1vpx h ALA 121 N 1.61 1.00 0.00 3.86 0.00 -0.94 -3.47 119.26 121.32 1vpx h ALA 121 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1vpx h ALA 121 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vpx h ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1vpx n GLY 122 N 0.54 1.41 3.73 0.00 0.00 -0.52 -3.59 105.19 106.77 1vpx n GLY 122 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1vpx n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vpx n ALA 123 N -1.52 1.63 -0.01 4.61 0.00 -0.77 -4.85 120.51 119.61 1vpx n ALA 123 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.47 1vpx n ALA 123 Cb 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.03 1vpx n ALA 123 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1vpx h THR 124 N 1.93 1.31 -3.82 0.00 2.02 -1.62 -3.36 112.91 109.37 1vpx h THR 124 Ca -0.50 -2.00 -0.28 0.00 0.77 0.00 0.00 66.41 64.40 1vpx h THR 124 Cb 1.29 2.17 -0.18 0.00 -1.74 0.00 0.00 68.15 69.69 1vpx h THR 124 CO 0.59 0.62 -0.72 -0.31 0.37 0.00 0.00 175.52 176.07 1vpx s TYR 125 N -3.59 0.91 0.01 3.16 2.02 0.19 -1.25 117.35 118.80 1vpx s TYR 125 Ca -0.11 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 55.96 1vpx s TYR 125 Cb 0.07 -0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 41.10 1vpx s TYR 125 CO 0.88 -0.06 -0.17 0.54 -1.57 0.00 0.00 175.55 175.17 1vpx s VAL 126 N -2.46 1.32 -0.49 0.71 0.11 -0.29 -1.01 120.40 118.29 1vpx s VAL 126 Ca 0.03 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 1vpx s VAL 126 Cb -0.03 -1.13 0.13 0.00 -1.53 0.00 0.00 36.38 33.82 1vpx s VAL 126 CO -0.01 0.23 0.26 -0.44 -3.33 0.00 0.00 175.10 171.81 1vpx s SER 127 N -0.77 4.00 0.23 3.54 0.01 0.43 -0.29 113.70 120.85 1vpx s SER 127 Ca 0.05 -2.89 -0.30 0.00 1.31 0.00 0.00 55.95 54.13 1vpx s SER 127 Cb -0.07 -1.35 -0.09 0.00 0.21 0.00 0.00 66.02 64.72 1vpx s SER 127 CO 0.00 -0.24 1.24 -2.84 0.41 0.00 0.00 173.24 171.82 1vpx s PRO 128 N -0.07 4.46 -0.89 12.44 0.02 -1.22 -3.34 135.00 146.40 1vpx s PRO 128 Ca 0.18 1.98 -0.17 0.00 0.02 0.00 0.00 61.00 63.01 1vpx s PRO 128 Cb -0.24 -3.19 0.17 0.00 0.02 0.00 0.00 34.50 31.26 1vpx s PRO 128 CO -0.01 -0.12 0.99 -0.06 -0.33 0.00 0.00 177.00 177.47 1vpx s PHE 129 N -0.32 3.37 0.01 6.54 0.40 -0.55 -1.45 117.98 125.98 1vpx s PHE 129 Ca 0.52 -1.63 -0.25 0.00 -0.60 0.00 0.00 56.93 54.98 1vpx s PHE 129 Cb -0.35 -4.10 -0.16 0.00 0.51 0.00 0.00 43.02 38.92 1vpx s PHE 129 CO 0.40 -1.29 1.19 0.28 0.70 0.00 0.00 175.22 176.50 1vpx h VAL 130 N 5.42 0.55 -0.83 -0.44 2.07 -1.49 -3.02 116.25 118.51 1vpx h VAL 130 Ca 0.14 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1vpx h VAL 130 Cb 1.03 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1vpx h VAL 130 CO 0.97 0.09 0.54 1.23 0.02 0.00 0.00 177.57 180.42 1vpx h GLY 131 N -0.85 1.17 1.32 2.17 0.00 -0.94 -0.59 103.07 105.34 1vpx h GLY 131 Ca -0.05 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 1vpx h GLY 131 CO 0.09 0.27 -0.29 3.21 0.00 0.00 0.00 176.54 179.82 1vpx h ARG 132 N 0.92 0.77 -0.41 4.80 3.08 -1.78 -2.24 114.38 119.51 1vpx h ARG 132 Ca 0.36 -0.34 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1vpx h ARG 132 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1vpx h ARG 132 CO -0.13 0.96 -0.32 0.52 -1.07 0.00 0.00 179.97 179.94 1vpx h MET 133 N 0.65 0.94 -0.81 0.04 2.86 -1.31 -3.09 114.93 114.21 1vpx h MET 133 Ca 0.08 -0.46 0.13 0.00 -2.06 0.00 0.00 59.70 57.39 1vpx h MET 133 Cb 0.82 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.39 1vpx h MET 133 CO 0.07 1.12 0.41 -0.44 1.06 0.00 0.00 176.91 179.13 1vpx h ASP 134 N 0.76 0.50 1.17 1.22 5.19 -0.94 -2.17 116.42 122.15 1vpx h ASP 134 Ca 0.08 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1vpx h ASP 134 Cb 0.91 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1vpx h ASP 134 CO 0.08 0.23 0.00 0.44 -3.12 0.00 0.00 179.24 176.87 1vpx h ASP 135 N 0.61 0.00 0.58 6.45 5.19 -1.34 0.50 116.42 128.41 1vpx h ASP 135 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1vpx h ASP 135 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1vpx h ASP 135 CO -0.34 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 175.96 1vpx n LEU 136 N -2.38 0.00 -1.96 1.55 4.77 -0.84 -4.92 117.00 113.23 1vpx n LEU 136 Ca 0.04 0.30 -0.20 0.00 -0.03 0.00 0.00 56.01 56.12 1vpx n LEU 136 Cb 0.34 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1vpx n LEU 136 CO 0.26 -0.01 -0.23 -1.20 -1.33 0.00 0.00 177.39 174.88 1vpx n SER 137 N -1.30 -5.60 -1.35 -1.43 7.64 0.17 -4.89 113.62 106.87 1vpx n SER 137 Ca 0.13 0.21 0.12 0.00 1.01 0.00 0.00 58.87 60.34 1vpx n SER 137 Cb 0.24 -4.73 0.32 0.00 -1.01 0.00 0.00 64.21 59.03 1vpx n SER 137 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1vpx n ASN 138 N -1.57 3.93 -2.41 6.43 5.03 -1.09 -5.04 115.26 120.54 1vpx n ASN 138 Ca -0.22 -2.00 -0.00 0.00 0.87 0.00 0.00 54.58 53.23 1vpx n ASN 138 Cb 0.67 -0.47 -0.00 0.00 -1.02 0.00 0.00 39.78 38.96 1vpx n ASN 138 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1vpx n ASP 139 N 1.65 -6.50 0.08 6.41 -0.08 -1.24 -4.83 116.55 112.05 1vpx n ASP 139 Ca 0.24 1.08 -0.03 0.00 -1.51 0.00 0.00 54.79 54.57 1vpx n ASP 139 Cb 0.63 -4.25 0.22 0.00 2.34 0.00 0.00 41.12 40.05 1vpx n ASP 139 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1vpx h GLY 140 N 2.28 0.32 1.64 0.27 0.00 -1.75 -2.94 103.07 102.90 1vpx h GLY 140 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1vpx h GLY 140 CO 0.07 0.27 -0.25 -0.33 0.00 0.00 0.00 176.54 176.30 1vpx h MET 141 N 0.25 0.42 -0.37 4.80 2.86 -1.93 -1.49 114.93 119.47 1vpx h MET 141 Ca 0.02 -0.15 -0.15 0.00 -2.06 0.00 0.00 59.70 57.36 1vpx h MET 141 Cb 0.80 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1vpx h MET 141 CO 0.06 0.64 -0.36 -0.09 1.06 0.00 0.00 176.91 178.23 1vpx h ARG 142 N 0.37 0.90 -0.26 1.72 2.43 -1.89 -1.29 114.38 116.37 1vpx h ARG 142 Ca 0.06 -0.47 -0.12 0.00 -0.81 0.00 0.00 59.98 58.64 1vpx h ARG 142 Cb 0.64 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1vpx h ARG 142 CO 0.05 1.12 -0.33 0.00 -1.51 0.00 0.00 179.97 179.30 1vpx h MET 143 N 0.71 0.56 -0.66 0.20 -0.00 -1.32 -1.60 114.93 112.81 1vpx h MET 143 Ca 0.06 -0.25 -0.07 0.00 -0.00 0.00 0.00 59.70 59.44 1vpx h MET 143 Cb 0.95 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.51 1vpx h MET 143 CO 0.09 0.82 0.13 1.25 -0.00 0.00 0.00 176.91 179.20 1vpx h LEU 144 N 0.48 1.04 -1.62 -0.10 5.85 -1.20 -2.25 115.31 117.49 1vpx h LEU 144 Ca 0.06 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1vpx h LEU 144 Cb 0.80 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1vpx h LEU 144 CO 0.07 1.02 0.13 1.23 -0.34 0.00 0.00 178.44 180.55 1vpx h GLY 145 N 1.01 0.41 1.36 3.75 0.00 -0.79 -1.23 103.07 107.57 1vpx h GLY 145 Ca 0.20 -0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 1vpx h GLY 145 CO 0.01 0.17 -0.55 0.83 0.00 0.00 0.00 176.54 177.00 1vpx h GLU 146 N 0.39 0.68 -0.22 4.80 5.08 -0.84 -2.01 114.58 122.46 1vpx h GLU 146 Ca 0.10 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 1vpx h GLU 146 Cb 0.05 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1vpx h GLU 146 CO -0.01 1.05 -0.16 0.82 -1.00 0.00 0.00 179.01 179.70 1vpx h ILE 147 N 0.52 1.32 -0.38 3.13 2.04 -0.99 -1.66 117.51 121.49 1vpx h ILE 147 Ca 0.01 -1.28 0.07 0.00 1.00 0.00 0.00 64.86 64.66 1vpx h ILE 147 Cb 1.12 1.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.81 1vpx h ILE 147 CO 0.11 0.39 0.00 0.58 0.00 0.00 0.00 178.15 179.23 1vpx h VAL 148 N 0.18 0.72 -0.57 1.67 2.07 -1.25 0.39 116.25 119.47 1vpx h VAL 148 Ca 0.04 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1vpx h VAL 148 Cb 0.68 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1vpx h VAL 148 CO 0.04 0.02 0.31 -0.08 0.02 0.00 0.00 177.57 177.88 1vpx h GLU 149 N 0.10 0.58 -0.30 1.57 4.57 -1.23 0.63 114.58 120.50 1vpx h GLU 149 Ca 0.18 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.19 1vpx h GLU 149 Cb 0.26 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1vpx h GLU 149 CO -0.31 0.38 -0.35 0.82 -1.18 0.00 0.00 179.01 178.38 1vpx h ILE 150 N 0.60 1.30 -0.37 2.32 2.04 -0.89 -1.45 117.51 121.05 1vpx h ILE 150 Ca 0.25 -1.53 -0.07 0.00 1.00 0.00 0.00 64.86 64.51 1vpx h ILE 150 Cb 0.13 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1vpx h ILE 150 CO -0.15 0.49 -0.07 1.88 0.00 0.00 0.00 178.15 180.29 1vpx h TYR 151 N 0.51 0.66 -0.59 1.37 -1.99 -0.69 -1.86 116.97 114.38 1vpx h TYR 151 Ca 0.04 -0.10 -0.10 0.00 2.00 0.00 0.00 58.73 60.57 1vpx h TYR 151 Cb 0.93 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.46 1vpx h TYR 151 CO 0.07 0.68 -0.02 -0.91 -0.00 0.00 0.00 178.16 177.98 1vpx h ASN 152 N 0.58 1.03 -0.56 3.88 2.35 -0.77 0.34 115.58 122.42 1vpx h ASN 152 Ca 0.11 -0.30 0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1vpx h ASN 152 Cb 0.48 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1vpx h ASN 152 CO 0.03 1.09 0.37 0.78 -1.65 0.00 0.00 177.43 178.05 1vpx h ASN 153 N 0.95 0.48 -0.00 5.81 4.21 -0.44 -3.23 115.58 123.36 1vpx h ASN 153 Ca 0.16 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.67 1vpx h ASN 153 Cb 0.58 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1vpx h ASN 153 CO 0.03 0.32 -0.04 -1.22 -1.29 0.00 0.00 177.43 175.23 1vpx n TYR 154 N -4.47 0.00 -3.95 1.19 4.01 -1.00 -5.01 117.16 107.93 1vpx n TYR 154 Ca 0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.51 1vpx n TYR 154 Cb 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.27 1vpx n TYR 154 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vpx n GLY 155 N 0.46 -0.46 3.73 2.72 0.00 0.10 -4.90 105.19 106.84 1vpx n GLY 155 Ca 0.01 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1vpx n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vpx n PHE 156 N -4.59 2.61 0.20 1.61 3.72 -1.23 -4.88 117.46 114.90 1vpx n PHE 156 Ca 0.00 0.42 0.04 0.00 -0.05 0.00 0.00 57.45 57.86 1vpx n PHE 156 Cb 0.54 -2.51 0.42 0.00 -0.94 0.00 0.00 39.48 37.00 1vpx n PHE 156 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1vpx h GLU 157 N 3.56 0.00 -6.47 -1.08 3.07 -1.91 -3.44 114.58 108.30 1vpx h GLU 157 Ca -0.47 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 57.77 1vpx h GLU 157 Cb 1.25 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 29.25 1vpx h GLU 157 CO 0.70 0.30 0.43 2.41 -1.40 0.00 0.00 179.01 181.45 1vpx n THR 158 N -4.12 1.00 -3.96 1.13 -1.04 -1.26 -4.98 114.28 101.05 1vpx n THR 158 Ca -0.02 -0.25 -0.34 0.00 -2.04 0.00 0.00 64.05 61.40 1vpx n THR 158 Cb 0.35 -1.17 -0.06 0.00 -1.82 0.00 0.00 70.33 67.63 1vpx n THR 158 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1vpx s GLU 159 N -0.48 3.34 -0.27 -2.82 2.02 -0.38 -4.95 118.70 115.16 1vpx s GLU 159 Ca 0.70 -0.32 -0.14 0.00 0.02 0.00 0.00 54.97 55.22 1vpx s GLU 159 Cb -0.74 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1vpx s GLU 159 CO 0.52 0.69 0.32 0.42 0.02 0.00 0.00 175.26 177.22 1vpx s ILE 160 N -1.22 5.22 -0.48 -1.63 1.01 -1.26 -1.14 121.20 121.70 1vpx s ILE 160 Ca 0.23 0.45 -0.16 0.00 0.00 0.00 0.00 60.65 61.18 1vpx s ILE 160 Cb -0.12 -3.65 0.07 0.00 0.01 0.00 0.00 42.46 38.77 1vpx s ILE 160 CO 0.14 0.19 0.43 -0.63 0.00 0.00 0.00 174.94 175.07 1vpx s ILE 161 N 1.92 5.18 -0.13 2.92 1.01 0.60 -1.11 121.20 131.60 1vpx s ILE 161 Ca 0.13 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 1vpx s ILE 161 Cb -0.16 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 1vpx s ILE 161 CO 0.10 -0.60 2.04 0.00 0.00 0.00 0.00 174.94 176.47 1vpx s ALA 162 N 1.80 3.12 0.53 9.38 0.00 0.24 -3.37 121.76 133.45 1vpx s ALA 162 Ca 0.06 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.96 1vpx s ALA 162 Cb -0.23 -3.96 0.01 0.00 0.00 0.00 0.00 23.12 18.93 1vpx s ALA 162 CO 0.08 -2.23 0.11 0.00 0.00 0.00 0.00 175.76 173.71 1vpx s ALA 163 N 6.45 4.26 -1.39 0.00 0.00 -0.53 -1.65 121.76 128.89 1vpx s ALA 163 Ca 0.92 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 1vpx s ALA 163 Cb -0.35 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1vpx s ALA 163 CO 0.37 -0.13 0.72 0.45 0.00 0.00 0.00 175.76 177.16 1vpx n SER 164 N -1.42 -1.93 -4.72 0.00 2.88 -1.26 -1.63 113.62 105.53 1vpx n SER 164 Ca -0.15 -0.85 -0.39 0.00 -1.33 0.00 0.00 58.87 56.15 1vpx n SER 164 Cb 0.66 -3.79 -0.05 0.00 -0.75 0.00 0.00 64.21 60.28 1vpx n SER 164 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1vpx s ILE 165 N -3.62 5.11 -0.00 2.46 -1.09 -1.26 -0.50 121.20 122.29 1vpx s ILE 165 Ca 0.18 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1vpx s ILE 165 Cb -0.09 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 1vpx s ILE 165 CO 0.83 0.30 0.01 0.54 -1.23 0.00 0.00 174.94 175.39 1vpx n ARG 166 N 3.66 1.12 -3.63 2.79 5.12 -1.26 -4.46 116.66 120.00 1vpx n ARG 166 Ca -0.04 -0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.78 1vpx n ARG 166 Cb 0.51 -0.93 -0.02 0.00 -1.16 0.00 0.00 32.46 30.86 1vpx n ARG 166 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1vpx s HIS 167 N -1.87 -0.36 0.39 -1.55 -3.43 -1.26 -4.91 115.29 102.30 1vpx s HIS 167 Ca -0.00 0.04 0.11 0.00 -0.80 0.00 0.00 55.06 54.42 1vpx s HIS 167 Cb 0.00 0.63 0.91 0.00 -1.43 0.00 0.00 32.58 32.69 1vpx s HIS 167 CO 0.02 -0.99 1.91 -1.35 -2.00 0.00 0.00 174.74 172.33 1vpx h PRO 168 N 2.00 0.56 0.00 -0.38 0.11 -1.98 -2.40 132.00 129.91 1vpx h PRO 168 Ca -0.26 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 1vpx h PRO 168 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1vpx h PRO 168 CO 0.31 0.37 -0.35 0.52 -0.21 0.00 0.00 178.00 178.64 1vpx h MET 169 N 0.58 0.00 -0.54 1.05 2.86 -1.98 -1.41 114.93 115.49 1vpx h MET 169 Ca 0.38 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.06 1vpx h MET 169 Cb 0.66 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 1vpx h MET 169 CO -0.14 0.35 0.30 0.45 1.06 0.00 0.00 176.91 178.93 1vpx h HIS 170 N 0.00 0.56 -0.30 -0.22 3.86 -1.86 0.60 115.15 117.79 1vpx h HIS 170 Ca -0.00 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1vpx h HIS 170 Cb 0.65 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1vpx h HIS 170 CO 0.00 0.29 0.04 0.28 0.86 0.00 0.00 177.93 179.41 1vpx h VAL 171 N 0.58 1.23 -0.31 2.45 2.07 -1.35 -1.17 116.25 119.76 1vpx h VAL 171 Ca 0.23 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 1vpx h VAL 171 Cb 0.09 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1vpx h VAL 171 CO -0.13 0.27 -0.25 0.58 0.02 0.00 0.00 177.57 178.05 1vpx h VAL 172 N 0.32 1.30 -0.54 2.57 2.07 -1.18 -0.96 116.25 119.82 1vpx h VAL 172 Ca 0.09 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.13 1vpx h VAL 172 Cb 0.35 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1vpx h VAL 172 CO 0.01 0.45 -0.00 -0.33 0.02 0.00 0.00 177.57 177.72 1vpx h GLU 173 N 0.48 0.92 -0.62 1.57 5.08 -0.87 -0.67 114.58 120.47 1vpx h GLU 173 Ca 0.06 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 1vpx h GLU 173 Cb 0.81 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1vpx h GLU 173 CO 0.06 0.92 0.09 0.00 -1.00 0.00 0.00 179.01 179.08 1vpx h ALA 174 N 1.14 0.98 -0.50 3.43 0.00 -1.07 -2.11 119.26 121.12 1vpx h ALA 174 Ca 0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1vpx h ALA 174 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1vpx h ALA 174 CO 0.03 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1vpx h ALA 175 N 1.13 0.80 -0.19 0.00 0.00 -0.97 -0.99 119.26 119.04 1vpx h ALA 175 Ca 0.19 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1vpx h ALA 175 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1vpx h ALA 175 CO 0.01 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.69 1vpx h LEU 176 N 0.85 0.31 -0.06 0.00 3.38 -0.86 -1.97 115.31 116.95 1vpx h LEU 176 Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1vpx h LEU 176 Cb 0.70 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1vpx h LEU 176 CO 0.05 0.50 -0.27 1.15 0.09 0.00 0.00 178.44 179.96 1vpx n MET 177 N -4.22 0.15 -2.01 1.13 0.00 -0.82 -4.97 117.12 106.38 1vpx n MET 177 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.64 1vpx n MET 177 Cb 0.31 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.04 1vpx n MET 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vpx n GLY 178 N 1.46 0.80 3.73 3.17 0.00 -0.70 -4.99 105.19 108.67 1vpx n GLY 178 Ca 0.08 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1vpx n GLY 178 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vpx n VAL 179 N -2.78 4.15 -0.08 1.61 0.31 -0.46 -4.93 118.33 116.16 1vpx n VAL 179 Ca 0.00 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.71 1vpx n VAL 179 Cb 0.44 -1.60 -0.05 0.00 -0.91 0.00 0.00 33.84 31.72 1vpx n VAL 179 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1vpx h ASP 180 N 1.15 0.43 -4.20 4.52 3.32 -1.89 -3.46 116.42 116.29 1vpx h ASP 180 Ca -0.51 -0.36 -0.20 0.00 0.02 0.00 0.00 57.03 55.98 1vpx h ASP 180 Cb 1.32 -0.12 -0.25 0.00 0.22 0.00 0.00 39.33 40.50 1vpx h ASP 180 CO 0.56 0.69 -0.67 -0.63 -1.72 0.00 0.00 179.24 177.46 1vpx s ILE 181 N -4.78 0.04 -0.13 0.35 1.01 -0.26 -1.80 121.20 115.63 1vpx s ILE 181 Ca -0.14 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1vpx s ILE 181 Cb 0.07 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.41 1vpx s ILE 181 CO 0.75 -0.18 -0.20 -0.69 0.00 0.00 0.00 174.94 174.62 1vpx s VAL 182 N -0.52 1.90 -0.15 2.92 1.01 -0.31 -0.59 120.40 124.65 1vpx s VAL 182 Ca -0.06 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1vpx s VAL 182 Cb -0.04 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1vpx s VAL 182 CO -0.00 0.52 0.01 0.28 0.00 0.00 0.00 175.10 175.90 1vpx s THR 183 N 0.81 4.29 0.05 3.92 -1.32 -0.66 -1.31 115.64 121.42 1vpx s THR 183 Ca -0.08 -0.22 -0.06 0.00 -1.21 0.00 0.00 61.69 60.11 1vpx s THR 183 Cb -0.16 -2.88 -0.01 0.00 -1.51 0.00 0.00 72.50 67.94 1vpx s THR 183 CO -0.01 0.51 0.12 0.00 -2.21 0.00 0.00 174.62 173.03 1vpx s MET 184 N 0.09 0.65 0.73 7.08 0.23 -0.50 -4.26 119.30 123.32 1vpx s MET 184 Ca 0.02 -0.81 -0.14 0.00 -1.03 0.00 0.00 55.69 53.73 1vpx s MET 184 Cb -0.13 0.26 0.04 0.00 -1.53 0.00 0.00 34.83 33.46 1vpx s MET 184 CO 0.02 -0.17 1.17 -2.14 -2.03 0.00 0.00 175.02 171.87 1vpx s PRO 185 N -2.92 2.23 0.25 3.16 0.02 -1.26 0.09 135.00 136.57 1vpx s PRO 185 Ca -0.02 1.63 -0.04 0.00 0.02 0.00 0.00 61.00 62.58 1vpx s PRO 185 Cb 0.01 -1.86 0.35 0.00 0.02 0.00 0.00 34.50 33.02 1vpx s PRO 185 CO -0.06 -1.73 1.88 0.35 -0.33 0.00 0.00 177.00 177.11 1vpx h PHE 186 N -0.35 1.15 -0.67 6.54 3.57 -1.96 -2.27 116.94 122.95 1vpx h PHE 186 Ca -0.47 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.14 1vpx h PHE 186 Cb 1.28 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1vpx h PHE 186 CO 0.50 0.63 0.44 0.00 -2.23 0.00 0.00 178.31 177.65 1vpx h ALA 187 N 1.42 1.81 -0.22 2.41 0.00 -1.97 0.25 119.26 122.97 1vpx h ALA 187 Ca 0.40 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 1vpx h ALA 187 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vpx h ALA 187 CO -0.15 0.06 -0.50 0.28 0.00 0.00 0.00 179.25 178.94 1vpx h VAL 188 N 0.63 1.30 -0.40 0.00 2.07 -1.77 -2.98 116.25 115.10 1vpx h VAL 188 Ca 0.30 -1.71 0.04 0.00 0.82 0.00 0.00 66.70 66.15 1vpx h VAL 188 Cb 0.36 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1vpx h VAL 188 CO -0.10 0.54 0.15 0.25 0.02 0.00 0.00 177.57 178.44 1vpx h LEU 189 N 0.45 0.18 -0.74 2.57 5.85 -0.81 -2.22 115.31 120.60 1vpx h LEU 189 Ca 0.00 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1vpx h LEU 189 Cb 1.11 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 1vpx h LEU 189 CO 0.11 0.14 0.36 -0.33 -0.34 0.00 0.00 178.44 178.38 1vpx h GLU 190 N 0.32 0.56 -0.50 1.25 5.08 -1.03 -1.34 114.58 118.93 1vpx h GLU 190 Ca 0.18 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1vpx h GLU 190 Cb 0.15 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1vpx h GLU 190 CO -0.17 0.37 0.33 0.87 -1.00 0.00 0.00 179.01 179.41 1vpx h LYS 191 N 0.58 0.62 -0.17 2.33 1.57 -1.25 -2.87 116.57 117.38 1vpx h LYS 191 Ca 0.38 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1vpx h LYS 191 Cb 0.45 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1vpx h LYS 191 CO -0.30 0.41 0.12 -0.07 -0.57 0.00 0.00 179.45 179.03 1vpx h LEU 192 N 0.64 0.07 -1.26 2.94 3.38 -0.88 -1.30 115.31 118.90 1vpx h LEU 192 Ca 0.19 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1vpx h LEU 192 Cb -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1vpx h LEU 192 CO -0.04 0.05 -0.37 -0.26 0.09 0.00 0.00 178.44 177.91 1vpx h PHE 193 N 0.09 0.00 -3.24 1.13 -1.00 -1.56 -3.46 116.94 108.89 1vpx h PHE 193 Ca 0.08 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.28 1vpx h PHE 193 Cb 0.20 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.72 1vpx h PHE 193 CO -0.00 0.37 -0.10 0.15 -1.61 0.00 0.00 178.31 177.12 1vpx s LYS 194 N -4.19 4.02 -0.24 1.51 1.02 -0.49 -5.08 119.74 116.29 1vpx s LYS 194 Ca -0.03 0.53 -0.20 0.00 0.02 0.00 0.00 55.97 56.29 1vpx s LYS 194 Cb 0.14 -3.06 0.07 0.00 -0.52 0.00 0.00 37.83 34.46 1vpx s LYS 194 CO 0.72 0.56 0.64 -1.58 -0.92 0.00 0.00 175.35 174.77 1vpx s HIS 195 N -1.31 -0.77 0.44 3.18 2.46 -1.26 -5.05 115.29 112.98 1vpx s HIS 195 Ca 0.33 1.77 0.12 0.00 0.47 0.00 0.00 55.06 57.75 1vpx s HIS 195 Cb -0.16 0.32 0.96 0.00 -0.13 0.00 0.00 32.58 33.56 1vpx s HIS 195 CO 0.18 -0.37 2.02 -1.00 -2.47 0.00 0.00 174.74 173.09 1vpx h PRO 196 N 5.59 0.19 0.00 2.88 0.13 -2.00 -2.29 132.00 136.51 1vpx h PRO 196 Ca -0.29 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 1vpx h PRO 196 Cb 1.18 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1vpx h PRO 196 CO 0.12 0.24 -0.68 0.52 -0.23 0.00 0.00 178.00 177.98 1vpx h MET 197 N 0.19 0.00 -0.38 0.86 2.86 -1.98 -1.54 114.93 114.94 1vpx h MET 197 Ca 0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1vpx h MET 197 Cb 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1vpx h MET 197 CO 0.01 0.68 0.22 1.15 1.06 0.00 0.00 176.91 180.02 1vpx h THR 198 N 0.00 1.14 -0.64 2.22 2.02 -1.84 -0.33 112.91 115.48 1vpx h THR 198 Ca -0.01 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1vpx h THR 198 Cb 1.29 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1vpx h THR 198 CO 0.09 0.14 0.29 0.44 0.37 0.00 0.00 175.52 176.85 1vpx h ASP 199 N 0.49 0.85 -0.34 4.18 3.32 -1.17 -1.25 116.42 122.51 1vpx h ASP 199 Ca 0.13 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1vpx h ASP 199 Cb 0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1vpx h ASP 199 CO -0.02 0.76 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.92 1vpx h LEU 200 N 0.89 0.88 -0.75 1.55 3.38 -1.26 -1.93 115.31 118.07 1vpx h LEU 200 Ca 0.22 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1vpx h LEU 200 Cb 0.15 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1vpx h LEU 200 CO -0.02 1.09 0.47 1.23 0.09 0.00 0.00 178.44 181.30 1vpx h GLY 201 N 0.92 1.09 0.96 0.83 0.00 -0.79 -0.56 103.07 105.52 1vpx h GLY 201 Ca 0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1vpx h GLY 201 CO 0.07 0.28 0.12 -2.22 0.00 0.00 0.00 176.54 174.79 1vpx h ILE 202 N 0.90 1.23 -0.83 2.60 2.04 -1.05 -2.76 117.51 119.64 1vpx h ILE 202 Ca 0.31 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1vpx h ILE 202 Cb 0.06 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1vpx h ILE 202 CO -0.13 0.29 0.40 -0.33 0.00 0.00 0.00 178.15 178.38 1vpx h GLU 203 N 0.62 1.20 0.00 2.37 5.08 -1.14 -3.52 114.58 119.20 1vpx h GLU 203 Ca 0.15 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1vpx h GLU 203 Cb 0.31 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1vpx h GLU 203 CO -0.00 0.93 0.00 0.54 -1.00 0.00 0.00 179.01 179.48