#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxx s ALA 5 N 0.00 1.19 0.61 -1.46 0.00 -1.26 -5.03 121.76 115.81 2vxx s ALA 5 Ca 0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 2vxx s ALA 5 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2vxx s ALA 5 CO 0.00 -2.65 1.09 -0.51 0.00 0.00 0.00 175.76 173.69 2vxx s LEU 6 N -6.36 3.50 0.57 0.00 1.43 -1.26 -5.02 118.68 111.55 2vxx s LEU 6 Ca 0.65 1.95 -0.19 0.00 -1.03 0.00 0.00 54.13 55.50 2vxx s LEU 6 Cb -0.18 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 2vxx s LEU 6 CO 0.57 -1.35 1.17 -2.16 0.23 0.00 0.00 176.35 174.81 2vxx s PRO 7 N -3.93 3.12 0.28 1.29 0.04 -1.26 -4.94 135.00 129.60 2vxx s PRO 7 Ca 0.66 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.46 2vxx s PRO 7 Cb -0.19 -1.96 0.40 0.00 0.04 0.00 0.00 34.50 32.79 2vxx s PRO 7 CO 0.37 -1.06 1.69 0.00 0.04 0.00 0.00 177.00 178.04 2vxx h ARG 8 N 0.98 0.40 -3.67 4.56 3.08 -2.07 -3.40 114.38 114.27 2vxx h ARG 8 Ca -0.50 -0.17 -0.44 0.00 0.07 0.00 0.00 59.98 58.93 2vxx h ARG 8 Cb 1.28 -0.01 -0.38 0.00 0.08 0.00 0.00 29.97 30.93 2vxx h ARG 8 CO 0.56 0.69 -0.77 -1.14 -1.07 0.00 0.00 179.97 178.24 2vxx s GLN 9 N -4.33 0.59 0.53 0.04 0.74 -1.26 -5.14 119.66 110.84 2vxx s GLN 9 Ca -0.06 0.06 -0.19 0.00 0.05 0.00 0.00 55.36 55.22 2vxx s GLN 9 Cb 0.13 -1.09 -0.06 0.00 1.10 0.00 0.00 33.01 33.09 2vxx s GLN 9 CO 0.79 -0.34 1.08 0.00 -0.55 0.00 0.00 175.29 176.27 2vxx s ALA 10 N 1.97 2.77 0.33 1.58 0.00 -1.26 -4.98 121.76 122.16 2vxx s ALA 10 Ca 0.04 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 2vxx s ALA 10 Cb -0.13 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 2vxx s ALA 10 CO -0.06 -0.60 1.44 0.12 0.00 0.00 0.00 175.76 176.66 2vxx s PHE 11 N -1.97 2.83 0.00 0.00 2.19 -1.26 -2.09 117.98 117.67 2vxx s PHE 11 Ca 0.69 1.16 0.00 0.00 0.33 0.00 0.00 56.93 59.11 2vxx s PHE 11 Cb -0.19 -3.89 0.00 0.00 -1.31 0.00 0.00 43.02 37.63 2vxx s PHE 11 CO 0.26 -2.67 0.00 0.41 1.83 0.00 0.00 175.22 175.05 2vxx n GLY 12 N 1.12 1.01 3.75 13.12 0.00 -1.26 -5.03 105.19 117.90 2vxx n GLY 12 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2vxx n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vxx s GLU 13 N -0.04 3.38 -0.15 1.61 0.41 -0.89 -5.10 118.70 117.92 2vxx s GLU 13 Ca 0.00 -0.29 -0.11 0.00 -0.41 0.00 0.00 54.97 54.16 2vxx s GLU 13 Cb 0.00 -3.04 -0.05 0.00 -1.78 0.00 0.00 34.13 29.26 2vxx s GLU 13 CO 0.00 0.64 0.21 -1.64 -0.49 0.00 0.00 175.26 173.98 2vxx s MET 14 N -0.66 4.02 0.31 1.61 -1.94 -1.26 -4.54 119.30 116.83 2vxx s MET 14 Ca 0.12 -0.04 0.06 0.00 -1.71 0.00 0.00 55.69 54.12 2vxx s MET 14 Cb -0.12 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.35 2vxx s MET 14 CO 0.02 0.42 0.41 0.00 -0.01 0.00 0.00 175.02 175.86 2vxx s ALA 15 N -0.04 4.08 0.57 3.03 0.00 0.10 -5.04 121.76 124.48 2vxx s ALA 15 Ca 0.14 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.48 2vxx s ALA 15 Cb -0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2vxx s ALA 15 CO 0.03 0.05 1.17 -0.51 0.00 0.00 0.00 175.76 176.50 2vxx s ASP 16 N -4.09 5.40 0.01 0.00 1.01 -1.26 -4.50 116.67 113.24 2vxx s ASP 16 Ca 0.41 2.30 0.01 0.00 0.71 0.00 0.00 52.55 55.98 2vxx s ASP 16 Cb -0.09 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 2vxx s ASP 16 CO 0.30 -1.45 0.02 0.28 0.21 0.00 0.00 175.17 174.53 2vxx s THR 17 N -1.68 4.29 -0.88 -1.27 -1.32 -1.26 -4.61 115.64 108.91 2vxx s THR 17 Ca 0.75 -0.60 0.22 0.00 -1.21 0.00 0.00 61.69 60.85 2vxx s THR 17 Cb -0.28 -2.94 0.20 0.00 -1.51 0.00 0.00 72.50 67.97 2vxx s THR 17 CO 0.31 0.34 1.68 0.52 -2.21 0.00 0.00 174.62 175.25 2vxx n VAL 18 N 1.23 0.64 -0.24 5.08 0.31 -1.26 -3.74 118.33 120.35 2vxx n VAL 18 Ca -0.14 0.11 0.06 0.00 -0.01 0.00 0.00 64.34 64.37 2vxx n VAL 18 Cb 0.53 -0.84 0.29 0.00 -0.91 0.00 0.00 33.84 32.90 2vxx n VAL 18 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2vxx n ILE 19 N -1.72 1.72 -3.42 2.52 -5.35 -1.26 -4.93 119.36 106.93 2vxx n ILE 19 Ca 0.04 -0.96 -0.19 0.00 -0.27 0.00 0.00 62.75 61.38 2vxx n ILE 19 Cb 0.26 -0.17 0.08 0.00 -1.74 0.00 0.00 39.64 38.07 2vxx n ILE 19 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2vxx n LEU 20 N 0.62 -3.62 -4.31 7.28 4.77 -1.25 -5.02 117.00 115.48 2vxx n LEU 20 Ca 0.20 -0.54 -0.32 0.00 -0.03 0.00 0.00 56.01 55.32 2vxx n LEU 20 Cb 0.83 -2.91 -0.16 0.00 -2.33 0.00 0.00 43.42 38.86 2vxx n LEU 20 CO 0.21 0.48 -0.53 -0.76 -1.33 0.00 0.00 177.39 175.46 2vxx s LEU 21 N -6.44 2.26 0.68 2.23 1.43 -1.26 -5.13 118.68 112.44 2vxx s LEU 21 Ca 0.26 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 2vxx s LEU 21 Cb -0.11 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.67 2vxx s LEU 21 CO 0.68 0.24 1.08 -1.61 0.23 0.00 0.00 176.35 176.97 2vxx s GLU 22 N -0.10 2.83 0.44 1.70 0.41 -1.26 -4.56 118.70 118.17 2vxx s GLU 22 Ca -0.04 1.20 0.10 0.00 -0.41 0.00 0.00 54.97 55.81 2vxx s GLU 22 Cb -0.14 -1.97 0.99 0.00 -1.78 0.00 0.00 34.13 31.23 2vxx s GLU 22 CO 0.04 -1.20 2.09 0.87 -0.49 0.00 0.00 175.26 176.57 2vxx h LYS 23 N -0.30 0.37 -0.39 1.61 1.57 -1.97 -0.20 116.57 117.25 2vxx h LYS 23 Ca -0.45 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.42 2vxx h LYS 23 Cb 1.23 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2vxx h LYS 23 CO 0.55 0.25 0.29 0.00 -0.57 0.00 0.00 179.45 179.97 2vxx h ALA 24 N 1.82 2.34 0.01 3.86 0.00 -2.01 -0.43 119.26 124.85 2vxx h ALA 24 Ca 0.11 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 2vxx h ALA 24 Cb -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2vxx h ALA 24 CO -0.02 -0.49 -1.38 2.41 0.00 0.00 0.00 179.25 179.76 2vxx n THR 25 N -4.35 1.55 0.10 0.00 -1.04 -0.25 -4.53 114.28 105.75 2vxx n THR 25 Ca 0.06 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.05 61.96 2vxx n THR 25 Cb 0.48 -2.01 0.19 0.00 -1.82 0.00 0.00 70.33 67.17 2vxx n THR 25 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2vxx h THR 26 N -0.93 1.35 0.64 12.58 1.35 -0.92 -3.16 112.91 123.81 2vxx h THR 26 Ca -0.37 -1.72 -0.03 0.00 -0.55 0.00 0.00 66.41 63.73 2vxx h THR 26 Cb 1.37 1.84 0.01 0.00 -1.73 0.00 0.00 68.15 69.64 2vxx h THR 26 CO -0.20 0.51 -0.31 0.74 -0.25 0.00 0.00 175.52 176.00 2vxx h THR 27 N 0.16 0.35 -0.40 6.82 2.02 -1.32 0.58 112.91 121.13 2vxx h THR 27 Ca 0.01 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 2vxx h THR 27 Cb 0.93 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2vxx h THR 27 CO 0.07 0.01 0.05 1.55 0.37 0.00 0.00 175.52 177.58 2vxx h PRO 28 N -0.91 0.61 -0.41 6.66 0.13 -1.80 -1.63 132.00 134.65 2vxx h PRO 28 Ca -0.09 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 2vxx h PRO 28 Cb 0.68 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 2vxx h PRO 28 CO 0.14 0.59 0.15 0.82 -0.23 0.00 0.00 178.00 179.48 2vxx h ILE 29 N 0.59 1.20 -0.18 -3.56 2.04 -1.50 -2.13 117.51 113.98 2vxx h ILE 29 Ca 0.13 -0.64 -0.12 0.00 1.00 0.00 0.00 64.86 65.23 2vxx h ILE 29 Cb 0.29 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2vxx h ILE 29 CO 0.00 0.23 -0.39 0.00 0.00 0.00 0.00 178.15 178.00 2vxx h GLU 31 N 0.34 -0.12 -0.51 0.00 4.22 -1.17 -0.17 114.58 117.16 2vxx h GLU 31 Ca 0.03 0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.38 2vxx h GLU 31 Cb 0.84 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2vxx h GLU 31 CO 0.07 -0.08 -0.10 0.78 -2.18 0.00 0.00 179.01 177.50 2vxx h GLY 32 N -0.13 1.03 1.38 1.92 0.00 -1.25 -2.90 103.07 103.12 2vxx h GLY 32 Ca -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.48 2vxx h GLY 32 CO 0.02 0.73 0.16 1.98 0.00 0.00 0.00 176.54 179.44 2vxx h MET 33 N 0.85 0.78 -0.27 4.80 1.85 -0.74 -2.25 114.93 119.95 2vxx h MET 33 Ca 0.14 -0.14 -0.06 0.00 -0.61 0.00 0.00 59.70 59.03 2vxx h MET 33 Cb 0.63 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.52 2vxx h MET 33 CO 0.04 0.68 -0.11 -0.91 -0.40 0.00 0.00 176.91 176.22 2vxx h ASN 34 N 0.77 0.42 -0.11 1.39 2.35 -0.83 0.10 115.58 119.67 2vxx h ASN 34 Ca 0.18 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 2vxx h ASN 34 Cb 0.23 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2vxx h ASN 34 CO -0.01 0.57 -0.36 0.03 -1.65 0.00 0.00 177.43 176.01 2vxx h ARG 35 N 0.42 0.62 -0.24 0.81 3.08 -1.25 -1.21 114.38 116.60 2vxx h ARG 35 Ca 0.08 -0.30 -0.16 0.00 0.07 0.00 0.00 59.98 59.67 2vxx h ARG 35 Cb 0.44 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2vxx h ARG 35 CO 0.02 0.89 -0.46 -0.07 -1.07 0.00 0.00 179.97 179.28 2vxx h LEU 36 N 0.52 0.83 0.08 3.04 3.38 -1.17 -1.51 115.31 120.48 2vxx h LEU 36 Ca 0.05 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.50 2vxx h LEU 36 Cb 0.87 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2vxx h LEU 36 CO 0.07 1.21 -0.22 0.25 0.09 0.00 0.00 178.44 179.85 2vxx h LEU 37 N 0.48 -0.64 -0.69 1.67 5.85 -0.66 0.85 115.31 122.18 2vxx h LEU 37 Ca 0.01 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2vxx h LEU 37 Cb 1.07 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 2vxx h LEU 37 CO 0.10 -0.30 0.40 0.00 -0.34 0.00 0.00 178.44 178.30 2vxx h ALA 38 N 0.41 0.92 -0.08 1.25 0.00 -1.24 -0.26 119.26 120.27 2vxx h ALA 38 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vxx h ALA 38 Cb 0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2vxx h ALA 38 CO -0.15 0.11 0.04 0.77 0.00 0.00 0.00 179.25 180.02 2vxx h SER 39 N 0.75 0.10 -0.22 0.00 0.02 -0.91 -0.73 113.55 112.56 2vxx h SER 39 Ca 0.30 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2vxx h SER 39 Cb 0.14 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2vxx h SER 39 CO -0.16 0.19 0.03 -0.26 -1.14 0.00 0.00 176.83 175.49 2vxx h PHE 40 N 0.01 0.49 -0.41 3.45 0.04 -0.66 0.21 116.94 120.07 2vxx h PHE 40 Ca 0.03 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 2vxx h PHE 40 Cb 0.11 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 2vxx h PHE 40 CO -0.03 0.47 0.03 0.37 -0.60 0.00 0.00 178.31 178.55 2vxx h GLN 41 N 0.47 0.70 -0.60 1.51 5.75 -0.75 0.11 115.11 122.31 2vxx h GLN 41 Ca 0.11 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 58.30 2vxx h GLN 41 Cb 0.27 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2vxx h GLN 41 CO 0.00 0.77 -0.01 0.00 -2.65 0.00 0.00 178.83 176.94 2vxx h ALA 42 N 0.90 0.80 -0.57 3.38 0.00 -0.70 -2.69 119.26 120.39 2vxx h ALA 42 Ca 0.12 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2vxx h ALA 42 Cb 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2vxx h ALA 42 CO 0.02 0.66 -0.02 1.25 0.00 0.00 0.00 179.25 181.15 2vxx h LEU 43 N 0.96 1.01 -0.51 0.00 5.85 -0.77 -1.02 115.31 120.82 2vxx h LEU 43 Ca 0.17 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.66 2vxx h LEU 43 Cb 0.58 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 2vxx h LEU 43 CO 0.03 1.08 0.12 0.22 -0.34 0.00 0.00 178.44 179.55 2vxx h TYR 44 N 0.91 0.19 -0.47 1.25 5.03 -0.73 0.08 116.97 123.22 2vxx h TYR 44 Ca 0.16 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 2vxx h TYR 44 Cb 0.57 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.82 2vxx h TYR 44 CO 0.04 0.01 0.23 -0.07 -1.32 0.00 0.00 178.16 177.05 2vxx h LEU 45 N 0.26 0.62 0.06 2.82 3.38 -1.14 -1.19 115.31 120.10 2vxx h LEU 45 Ca 0.26 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2vxx h LEU 45 Cb 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2vxx h LEU 45 CO -0.32 0.56 -0.03 -0.61 0.09 0.00 0.00 178.44 178.13 2vxx h GLN 46 N 0.62 -0.07 -0.88 1.13 4.15 -0.84 0.93 115.11 120.15 2vxx h GLN 46 Ca 0.16 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.60 2vxx h GLN 46 Cb 0.11 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 2vxx h GLN 46 CO -0.02 0.07 0.58 1.88 -1.93 0.00 0.00 178.83 179.41 2vxx h TYR 47 N -0.20 1.11 -0.25 3.99 0.05 -0.92 -0.41 116.97 120.33 2vxx h TYR 47 Ca -0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 2vxx h TYR 47 Cb 0.18 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 2vxx h TYR 47 CO -0.03 0.70 0.05 0.37 -1.05 0.00 0.00 178.16 178.19 2vxx h GLN 48 N 1.19 0.41 -0.62 4.88 4.15 -1.00 -0.72 115.11 123.40 2vxx h GLN 48 Ca 0.32 -0.11 0.11 0.00 0.77 0.00 0.00 58.65 59.74 2vxx h GLN 48 Cb -0.14 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.42 2vxx h GLN 48 CO -0.07 0.53 0.20 -0.22 -1.93 0.00 0.00 178.83 177.33 2vxx h LYS 49 N 0.22 0.34 -0.65 1.69 3.64 -0.34 -1.16 116.57 120.32 2vxx h LYS 49 Ca 0.08 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2vxx h LYS 49 Cb 0.31 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2vxx h LYS 49 CO 0.00 0.22 0.07 0.45 -2.27 0.00 0.00 179.45 177.93 2vxx h HIS 50 N 0.35 1.18 -0.56 1.91 3.86 -0.85 -0.88 115.15 120.17 2vxx h HIS 50 Ca 0.32 -0.18 0.08 0.00 -1.16 0.00 0.00 60.37 59.43 2vxx h HIS 50 Cb 0.44 -0.32 -0.07 0.00 1.06 0.00 0.00 27.41 28.53 2vxx h HIS 50 CO -0.20 1.01 0.20 1.25 0.86 0.00 0.00 177.93 181.05 2vxx h HIS 51 N 1.02 0.35 -0.51 2.45 -0.00 -0.63 -1.06 115.15 116.77 2vxx h HIS 51 Ca 0.19 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.50 2vxx h HIS 51 Cb 0.49 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 2vxx h HIS 51 CO 0.04 0.10 -0.03 0.74 -0.00 0.00 0.00 177.93 178.77 2vxx h PHE 52 N 0.38 0.96 0.00 5.26 0.04 -0.30 -3.37 116.94 119.91 2vxx h PHE 52 Ca 0.27 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 2vxx h PHE 52 Cb 0.32 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 2vxx h PHE 52 CO -0.17 0.88 -1.91 1.33 -0.60 0.00 0.00 178.31 177.84 2vxx n VAL 53 N -4.19 0.35 -1.64 -0.55 0.24 -0.42 -4.99 118.33 107.13 2vxx n VAL 53 Ca 0.02 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.34 61.38 2vxx n VAL 53 Cb 0.33 -0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 2vxx n VAL 53 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2vxx n VAL 54 N -2.27 1.41 -4.05 3.34 3.14 -0.42 -4.99 118.33 114.48 2vxx n VAL 54 Ca -0.11 -0.35 -0.14 0.00 -2.96 0.00 0.00 64.34 60.78 2vxx n VAL 54 Cb 0.64 -1.26 -0.03 0.00 -1.06 0.00 0.00 33.84 32.13 2vxx n VAL 54 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2vxx s GLU 55 N -0.98 1.95 0.00 1.45 -1.05 -1.26 -4.94 118.70 113.86 2vxx s GLU 55 Ca 0.64 -1.70 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 2vxx s GLU 55 Cb -0.68 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 33.48 2vxx s GLU 55 CO 0.55 -0.82 0.00 0.41 0.95 0.00 0.00 175.26 176.35 2vxx n GLY 56 N -0.56 -1.61 0.31 -3.83 0.00 -1.26 -4.51 105.19 93.73 2vxx n GLY 56 Ca -0.00 -2.07 0.14 0.00 0.00 0.00 0.00 46.02 44.09 2vxx n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxx h ALA 57 N 0.00 2.07 -0.48 4.61 0.00 -2.07 -0.87 119.26 122.52 2vxx h ALA 57 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2vxx h ALA 57 Cb 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.66 2vxx h ALA 57 CO 0.00 -0.24 0.07 0.39 0.00 0.00 0.00 179.25 179.47 2vxx n GLU 58 N -4.31 2.02 -0.12 0.00 4.71 -1.26 -4.79 120.64 116.90 2vxx n GLU 58 Ca 0.01 -3.14 -0.06 0.00 -0.01 0.00 0.00 57.16 53.96 2vxx n GLU 58 Cb 0.28 -1.90 0.00 0.00 -1.01 0.00 0.00 31.44 28.81 2vxx n GLU 58 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2vxx h PHE 59 N 1.09 -0.69 0.02 -0.32 3.57 -1.38 -2.41 116.94 116.82 2vxx h PHE 59 Ca 0.29 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 2vxx h PHE 59 Cb 1.90 0.36 0.00 0.00 2.79 0.00 0.00 35.95 41.00 2vxx h PHE 59 CO 1.13 -0.33 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.94 2vxx h TYR 60 N -0.19 -0.03 -0.37 0.41 3.20 -1.86 0.15 116.97 118.28 2vxx h TYR 60 Ca 0.19 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 2vxx h TYR 60 Cb 0.49 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2vxx h TYR 60 CO -0.48 0.33 -0.10 -1.00 -1.64 0.00 0.00 178.16 175.27 2vxx h PRO 61 N -0.39 0.64 -0.27 1.82 0.13 -1.94 -1.78 132.00 130.21 2vxx h PRO 61 Ca -0.00 -0.19 -0.09 0.00 -0.87 0.00 0.00 66.00 64.84 2vxx h PRO 61 Cb 0.37 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2vxx h PRO 61 CO 0.01 0.73 -0.19 -0.07 -0.23 0.00 0.00 178.00 178.24 2vxx h LEU 62 N 0.58 0.63 -0.66 1.56 3.38 -1.37 0.77 115.31 120.19 2vxx h LEU 62 Ca 0.11 -0.44 0.14 0.00 0.09 0.00 0.00 57.88 57.77 2vxx h LEU 62 Cb 0.52 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 2vxx h LEU 62 CO 0.03 0.94 -0.11 -0.74 0.09 0.00 0.00 178.44 178.65 2vxx h HIS 63 N 0.33 -0.24 -0.12 1.13 2.76 -0.54 -0.16 115.15 118.30 2vxx h HIS 63 Ca 0.05 0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 58.16 2vxx h HIS 63 Cb 0.73 0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.91 2vxx h HIS 63 CO 0.07 -0.26 -0.40 0.37 -1.30 0.00 0.00 177.93 176.42 2vxx h GLN 64 N 0.04 0.47 -0.76 5.26 5.75 -1.14 -3.11 115.11 121.63 2vxx h GLN 64 Ca 0.33 -0.35 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2vxx h GLN 64 Cb 0.53 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.09 2vxx h GLN 64 CO -0.65 0.98 0.46 0.35 -2.65 0.00 0.00 178.83 177.32 2vxx h PHE 65 N 0.06 0.84 -0.33 3.99 3.04 -0.46 -0.65 116.94 123.44 2vxx h PHE 65 Ca -0.02 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.88 2vxx h PHE 65 Cb 1.03 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2vxx h PHE 65 CO 0.11 0.44 -0.13 0.74 -2.02 0.00 0.00 178.31 177.45 2vxx h PHE 66 N 0.85 0.62 -0.22 0.41 0.04 -1.09 -0.63 116.94 116.92 2vxx h PHE 66 Ca 0.33 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.92 2vxx h PHE 66 Cb 0.13 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2vxx h PHE 66 CO -0.05 0.68 -0.13 0.37 -0.60 0.00 0.00 178.31 178.58 2vxx h GLN 67 N 0.53 0.48 -0.65 1.51 4.15 -1.36 -1.67 115.11 118.09 2vxx h GLN 67 Ca 0.09 -0.22 0.10 0.00 0.77 0.00 0.00 58.65 59.40 2vxx h GLN 67 Cb 0.53 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.13 2vxx h GLN 67 CO 0.03 0.77 0.26 -0.44 -1.93 0.00 0.00 178.83 177.52 2vxx h ASP 68 N 0.18 0.27 0.24 -0.69 3.32 -0.91 -1.81 116.42 117.02 2vxx h ASP 68 Ca 0.05 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2vxx h ASP 68 Cb 0.64 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2vxx h ASP 68 CO 0.04 0.15 -0.12 0.00 -1.72 0.00 0.00 179.24 177.59 2vxx h TYR 70 N -0.52 0.13 -0.33 0.00 -0.00 -1.16 -0.29 116.97 114.80 2vxx h TYR 70 Ca -0.03 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.73 58.55 2vxx h TYR 70 Cb 0.39 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.07 2vxx h TYR 70 CO -0.01 0.44 -0.29 0.93 -0.00 0.00 0.00 178.16 179.23 2vxx h GLU 71 N 0.11 0.69 -0.21 0.10 5.08 -1.33 -0.39 114.58 118.63 2vxx h GLU 71 Ca 0.01 -0.30 -0.19 0.00 -1.00 0.00 0.00 59.36 57.89 2vxx h GLU 71 Cb 0.64 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2vxx h GLU 71 CO 0.05 0.90 -0.61 0.37 -1.00 0.00 0.00 179.01 178.71 2vxx h GLN 72 N 0.59 0.73 -0.73 2.33 4.15 -0.89 -3.03 115.11 118.26 2vxx h GLN 72 Ca 0.07 -0.50 -0.05 0.00 0.77 0.00 0.00 58.65 58.94 2vxx h GLN 72 Cb 0.79 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 2vxx h GLN 72 CO 0.07 1.12 0.25 0.28 -1.93 0.00 0.00 178.83 178.62 2vxx h VAL 73 N 0.54 1.25 -0.61 2.39 2.07 -0.88 -2.45 116.25 118.57 2vxx h VAL 73 Ca -0.00 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.72 2vxx h VAL 73 Cb 1.20 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2vxx h VAL 73 CO 0.13 0.34 0.40 -0.61 0.02 0.00 0.00 177.57 177.85 2vxx h GLN 74 N 1.07 0.61 -0.45 1.57 5.75 -1.03 -0.82 115.11 121.81 2vxx h GLN 74 Ca 0.24 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.64 2vxx h GLN 74 Cb 0.26 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2vxx h GLN 74 CO -0.01 0.40 0.02 -0.44 -2.65 0.00 0.00 178.83 176.15 2vxx h ASP 75 N 0.63 0.75 -0.48 -0.69 5.19 -1.32 -0.35 116.42 120.15 2vxx h ASP 75 Ca 0.26 -0.29 0.01 0.00 -0.62 0.00 0.00 57.03 56.39 2vxx h ASP 75 Cb 0.23 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 2vxx h ASP 75 CO -0.08 0.86 0.30 0.45 -3.12 0.00 0.00 179.24 177.65 2vxx h HIS 76 N 0.62 0.56 -0.14 4.55 3.86 -1.10 -1.21 115.15 122.29 2vxx h HIS 76 Ca 0.13 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 2vxx h HIS 76 Cb 0.46 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.70 2vxx h HIS 76 CO 0.03 0.33 -0.16 0.28 0.86 0.00 0.00 177.93 179.28 2vxx h VAL 77 N 0.60 0.57 0.01 2.45 2.07 -0.97 -0.20 116.25 120.77 2vxx h VAL 77 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.74 2vxx h VAL 77 Cb -0.02 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 2vxx h VAL 77 CO -0.07 0.00 -0.28 -0.74 0.02 0.00 0.00 177.57 176.51 2vxx h HIS 78 N -0.20 -0.75 -0.37 1.57 6.17 -0.84 0.27 115.15 120.99 2vxx h HIS 78 Ca 0.10 0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.25 2vxx h HIS 78 Cb 0.34 0.33 -0.05 0.00 2.52 0.00 0.00 27.41 30.56 2vxx h HIS 78 CO -0.28 -0.37 0.10 0.00 0.71 0.00 0.00 177.93 178.09 2vxx h ALA 79 N 0.36 0.41 -0.30 5.26 0.00 -0.98 -2.45 119.26 121.57 2vxx h ALA 79 Ca 0.06 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2vxx h ALA 79 Cb 0.51 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2vxx h ALA 79 CO -0.24 -0.30 -0.30 -0.07 0.00 0.00 0.00 179.25 178.35 2vxx h LEU 80 N 0.23 0.78 -0.73 0.00 3.38 -0.74 -1.35 115.31 116.87 2vxx h LEU 80 Ca 0.17 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2vxx h LEU 80 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2vxx h LEU 80 CO -0.21 1.09 0.42 1.23 0.09 0.00 0.00 178.44 181.06 2vxx h GLY 81 N 0.48 1.08 1.39 0.83 0.00 -0.89 -0.55 103.07 105.40 2vxx h GLY 81 Ca 0.05 -0.47 -0.24 0.00 0.00 0.00 0.00 47.33 46.67 2vxx h GLY 81 CO 0.07 0.45 -0.94 -2.09 0.00 0.00 0.00 176.54 174.03 2vxx h GLU 82 N 1.00 0.56 -0.22 4.80 4.81 -1.41 -2.69 114.58 121.42 2vxx h GLU 82 Ca 0.26 -0.57 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2vxx h GLU 82 Cb 0.00 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2vxx h GLU 82 CO -0.05 1.19 0.07 -0.09 -0.73 0.00 0.00 179.01 179.40 2vxx h ARG 83 N 0.33 0.35 -0.35 1.92 9.65 -1.14 -1.57 114.38 123.57 2vxx h ARG 83 Ca -0.09 -0.08 0.06 0.00 -1.10 0.00 0.00 59.98 58.78 2vxx h ARG 83 Cb 1.58 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 30.05 2vxx h ARG 83 CO 0.17 0.44 -0.01 1.25 2.80 0.00 0.00 179.97 184.62 2vxx h LEU 84 N 0.19 -0.16 -0.66 3.80 6.46 -1.12 0.48 115.31 124.28 2vxx h LEU 84 Ca 0.07 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2vxx h LEU 84 Cb 0.24 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 2vxx h LEU 84 CO -0.00 -0.04 0.44 -1.13 -0.62 0.00 0.00 178.44 177.08 2vxx h ASN 85 N 0.09 0.75 0.23 1.25 -1.24 -1.44 -2.17 115.58 113.05 2vxx h ASN 85 Ca 0.17 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.13 2vxx h ASN 85 Cb 0.23 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 2vxx h ASN 85 CO -0.29 0.54 -0.17 1.23 -1.29 0.00 0.00 177.43 177.44 2vxx h GLY 86 N 0.88 0.00 1.85 1.57 0.00 -0.37 -1.44 103.07 105.56 2vxx h GLY 86 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2vxx h GLY 86 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.52 2vxx n LEU 87 N -4.12 0.00 0.00 3.11 4.77 0.07 -4.55 117.00 116.28 2vxx n LEU 87 Ca -0.02 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2vxx n LEU 87 Cb 0.25 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2vxx n LEU 87 CO 0.35 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2vxx n GLY 88 N 1.30 1.08 0.00 -0.72 0.00 -0.54 -4.38 105.19 101.92 2vxx n GLY 88 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2vxx n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vxx n GLY 89 N -1.73 2.05 2.90 -0.02 0.00 -0.86 0.03 105.19 107.56 2vxx n GLY 89 Ca 0.00 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 2vxx n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vxx s VAL 90 N 0.97 1.10 0.30 1.61 1.01 -1.26 -4.34 120.40 119.78 2vxx s VAL 90 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2vxx s VAL 90 Cb 0.00 -1.21 -0.10 0.00 0.00 0.00 0.00 36.38 35.07 2vxx s VAL 90 CO 0.00 0.22 1.14 -2.16 0.00 0.00 0.00 175.10 174.30 2vxx s PRO 91 N 1.65 4.55 0.31 2.72 0.04 -1.26 -4.76 135.00 138.25 2vxx s PRO 91 Ca 0.02 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 2vxx s PRO 91 Cb -0.14 -3.13 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 2vxx s PRO 91 CO -0.08 0.10 1.20 0.54 0.04 0.00 0.00 177.00 178.81 2vxx s VAL 92 N -1.18 3.09 0.00 -0.36 0.11 -1.26 -4.93 120.40 115.87 2vxx s VAL 92 Ca 0.46 1.10 0.00 0.00 -2.93 0.00 0.00 61.98 60.61 2vxx s VAL 92 Cb -0.33 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 30.82 2vxx s VAL 92 CO 0.43 0.26 0.00 0.00 -3.33 0.00 0.00 175.10 172.46 2vxx n ALA 93 N 0.95 0.00 -2.24 1.54 0.00 -1.26 -4.91 120.51 114.58 2vxx n ALA 93 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 2vxx n ALA 93 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 2vxx n ALA 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2vxx s GLY 94 N 0.00 1.99 0.23 0.00 0.00 -1.26 -4.97 107.32 103.32 2vxx s GLY 94 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 44.72 44.44 2vxx s GLY 94 CO 0.00 -0.06 1.71 0.74 0.00 0.00 0.00 173.10 175.49 2vxx h PHE 95 N 1.51 0.94 0.21 1.90 0.04 -1.99 -1.23 116.94 118.32 2vxx h PHE 95 Ca -0.47 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.14 2vxx h PHE 95 Cb 1.19 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.09 2vxx h PHE 95 CO 0.60 0.86 -0.10 1.96 -0.60 0.00 0.00 178.31 181.03 2vxx h GLN 96 N 0.80 -0.27 -0.00 1.51 4.20 -1.99 -1.63 115.11 117.73 2vxx h GLN 96 Ca 0.15 0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.73 2vxx h GLN 96 Cb 0.51 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2vxx h GLN 96 CO 0.03 -0.11 -0.71 0.37 -0.67 0.00 0.00 178.83 177.73 2vxx h GLN 97 N -0.37 0.00 -0.64 1.46 5.75 -1.97 -0.48 115.11 118.86 2vxx h GLN 97 Ca -0.03 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2vxx h GLN 97 Cb 0.29 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 2vxx h GLN 97 CO 0.05 0.71 0.31 -0.07 -2.65 0.00 0.00 178.83 177.18 2vxx h LEU 98 N 0.00 0.84 -0.55 -2.39 3.38 -1.20 -0.01 115.31 115.39 2vxx h LEU 98 Ca -0.01 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2vxx h LEU 98 Cb 1.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2vxx h LEU 98 CO 0.09 0.74 -0.07 0.00 0.09 0.00 0.00 178.44 179.29 2vxx h ALA 99 N 1.14 0.75 -0.10 1.53 0.00 -1.01 -2.80 119.26 118.78 2vxx h ALA 99 Ca 0.22 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2vxx h ALA 99 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2vxx h ALA 99 CO -0.03 0.64 -0.52 0.00 0.00 0.00 0.00 179.25 179.34 2vxx h ALA 100 N 0.94 0.95 0.00 0.00 0.00 -0.82 -3.27 119.26 117.06 2vxx h ALA 100 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2vxx h ALA 100 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2vxx h ALA 100 CO 0.04 0.67 -0.89 1.28 0.00 0.00 0.00 179.25 180.36 2vxx n LEU 101 N -3.94 0.65 -4.72 0.00 4.77 -0.04 -4.94 117.00 108.79 2vxx n LEU 101 Ca -0.02 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.45 2vxx n LEU 101 Cb 0.56 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2vxx n LEU 101 CO 0.43 0.10 1.38 0.00 -1.33 0.00 0.00 177.39 177.97 2vxx s PHE 104 N -1.83 1.53 -0.33 0.00 -0.12 -1.26 -4.86 117.98 111.11 2vxx s PHE 104 Ca 0.33 -1.22 -0.17 0.00 -0.05 0.00 0.00 56.93 55.82 2vxx s PHE 104 Cb 0.18 -0.88 -0.01 0.00 -0.63 0.00 0.00 43.02 41.67 2vxx s PHE 104 CO 0.27 -0.38 0.48 0.99 -0.05 0.00 0.00 175.22 176.53 2vxx s THR 105 N -3.74 5.06 0.73 -4.49 2.01 -1.26 -5.06 115.64 108.89 2vxx s THR 105 Ca 0.37 0.36 -0.14 0.00 0.31 0.00 0.00 61.69 62.59 2vxx s THR 105 Cb 0.07 -3.90 0.04 0.00 0.01 0.00 0.00 72.50 68.72 2vxx s THR 105 CO 0.14 -0.14 1.15 -2.84 -0.69 0.00 0.00 174.62 172.24 2vxx s PRO 106 N 2.29 2.27 0.33 4.92 0.02 -1.26 -4.96 135.00 138.62 2vxx s PRO 106 Ca 0.17 1.51 -0.29 0.00 0.02 0.00 0.00 61.00 62.42 2vxx s PRO 106 Cb -0.16 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 2vxx s PRO 106 CO 0.12 -1.68 1.51 -2.00 -0.33 0.00 0.00 177.00 174.62 2vxx s GLU 107 N -4.20 4.15 1.00 5.54 2.12 -1.26 -4.99 118.70 121.06 2vxx s GLU 107 Ca 0.69 2.52 -0.11 0.00 0.36 0.00 0.00 54.97 58.42 2vxx s GLU 107 Cb -0.23 -3.01 0.19 0.00 0.26 0.00 0.00 34.13 31.33 2vxx s GLU 107 CO 0.47 -0.53 1.09 -2.14 -0.54 0.00 0.00 175.26 173.60 2vxx s PRO 108 N -1.28 0.40 0.59 4.30 0.02 -1.26 -4.97 135.00 132.80 2vxx s PRO 108 Ca 0.57 1.10 -0.19 0.00 0.02 0.00 0.00 61.00 62.50 2vxx s PRO 108 Cb -0.46 -1.69 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 2vxx s PRO 108 CO 0.54 -2.91 1.26 -1.21 -0.33 0.00 0.00 177.00 174.35 2vxx s GLU 109 N -4.66 2.95 0.00 5.54 0.41 -1.26 -4.89 118.70 116.78 2vxx s GLU 109 Ca 0.66 1.96 0.00 0.00 -0.41 0.00 0.00 54.97 57.19 2vxx s GLU 109 Cb -0.22 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 2vxx s GLU 109 CO 0.60 -1.26 0.00 0.41 -0.49 0.00 0.00 175.26 174.52 2vxx n GLY 110 N 0.65 3.05 3.54 -1.39 0.00 -1.26 -5.01 105.19 104.77 2vxx n GLY 110 Ca 0.13 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2vxx n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxx s ALA 111 N -2.95 3.45 0.59 4.61 0.00 -1.26 -5.07 121.76 121.13 2vxx s ALA 111 Ca 0.00 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2vxx s ALA 111 Cb 0.00 -3.06 0.07 0.00 0.00 0.00 0.00 23.12 20.13 2vxx s ALA 111 CO 0.00 -1.35 0.82 -0.06 0.00 0.00 0.00 175.76 175.17 2vxx s PHE 112 N 2.41 2.21 0.72 0.00 0.08 -1.26 -5.10 117.98 117.03 2vxx s PHE 112 Ca 0.18 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 2vxx s PHE 112 Cb -0.15 -2.69 0.02 0.00 -0.57 0.00 0.00 43.02 39.63 2vxx s PHE 112 CO 0.14 -1.12 1.08 0.54 -0.10 0.00 0.00 175.22 175.76 2vxx s ASN 113 N -4.55 5.27 0.32 1.36 6.03 -1.26 -4.83 114.94 117.27 2vxx s ASN 113 Ca 0.61 1.32 0.04 0.00 -1.03 0.00 0.00 52.86 53.80 2vxx s ASN 113 Cb -0.08 -2.16 0.55 0.00 -3.03 0.00 0.00 41.25 36.53 2vxx s ASN 113 CO 0.40 -1.48 1.82 0.00 -2.03 0.00 0.00 177.10 175.81 2vxx h ARG 115 N 0.45 0.76 -0.53 0.00 2.43 -1.99 -1.21 114.38 114.28 2vxx h ARG 115 Ca 0.09 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 2vxx h ARG 115 Cb 0.46 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2vxx h ARG 115 CO 0.03 0.73 0.13 1.96 -1.51 0.00 0.00 179.97 181.31 2vxx h GLN 116 N 0.65 0.85 -0.22 0.20 4.20 -1.80 -1.31 115.11 117.69 2vxx h GLN 116 Ca 0.15 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2vxx h GLN 116 Cb 0.30 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2vxx h GLN 116 CO -0.00 0.81 0.13 0.52 -0.67 0.00 0.00 178.83 179.61 2vxx h MET 117 N 0.75 0.26 -0.79 1.46 2.86 -0.93 -1.12 114.93 117.41 2vxx h MET 117 Ca 0.17 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 2vxx h MET 117 Cb 0.34 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2vxx h MET 117 CO 0.00 0.17 0.38 -0.07 1.06 0.00 0.00 176.91 178.45 2vxx h LEU 118 N 0.26 1.03 -0.42 1.22 3.38 -1.12 -1.63 115.31 118.04 2vxx h LEU 118 Ca 0.08 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2vxx h LEU 118 Cb -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2vxx h LEU 118 CO -0.04 0.87 0.06 0.28 0.09 0.00 0.00 178.44 179.70 2vxx h SER 119 N 1.13 0.67 -0.88 -0.43 0.02 -0.93 -0.49 113.55 112.65 2vxx h SER 119 Ca 0.27 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2vxx h SER 119 Cb 0.12 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 2vxx h SER 119 CO -0.03 0.77 0.58 0.78 -1.14 0.00 0.00 176.83 177.79 2vxx h ASN 120 N 0.55 0.99 -0.56 3.07 2.35 -1.08 -1.33 115.58 119.58 2vxx h ASN 120 Ca 0.13 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 2vxx h ASN 120 Cb 0.39 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2vxx h ASN 120 CO 0.01 0.71 0.02 0.44 -1.65 0.00 0.00 177.43 176.95 2vxx h ASP 121 N 1.17 0.96 -0.43 5.81 3.32 -1.05 -1.93 116.42 124.27 2vxx h ASP 121 Ca 0.33 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2vxx h ASP 121 Cb -0.10 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 2vxx h ASP 121 CO -0.08 1.03 0.15 0.25 -1.72 0.00 0.00 179.24 178.86 2vxx h LEU 122 N 0.87 0.61 -1.21 1.55 5.85 -0.79 -0.97 115.31 121.22 2vxx h LEU 122 Ca 0.16 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2vxx h LEU 122 Cb 0.52 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2vxx h LEU 122 CO 0.03 0.64 0.54 1.56 -0.34 0.00 0.00 178.44 180.86 2vxx h GLN 123 N 0.55 1.05 0.00 1.25 4.20 -1.20 0.40 115.11 121.36 2vxx h GLN 123 Ca 0.14 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2vxx h GLN 123 Cb 0.24 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2vxx h GLN 123 CO -0.01 0.69 -0.00 0.00 -0.67 0.00 0.00 178.83 178.85 2vxx h ALA 124 N 1.50 -0.00 -0.72 3.87 0.00 -1.01 -1.69 119.26 121.22 2vxx h ALA 124 Ca 0.30 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2vxx h ALA 124 Cb -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2vxx h ALA 124 CO -0.07 -0.37 0.43 0.93 0.00 0.00 0.00 179.25 180.16 2vxx h GLU 125 N -0.25 0.78 -0.72 0.00 4.39 -0.88 -1.45 114.58 116.44 2vxx h GLU 125 Ca -0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2vxx h GLU 125 Cb 0.25 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2vxx h GLU 125 CO 0.00 0.51 0.33 1.96 -1.16 0.00 0.00 179.01 180.66 2vxx h GLN 126 N 0.80 1.04 -0.68 2.33 4.20 -0.82 0.30 115.11 122.28 2vxx h GLN 126 Ca 0.31 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 2vxx h GLN 126 Cb 0.13 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2vxx h GLN 126 CO -0.16 0.83 0.12 0.00 -0.67 0.00 0.00 178.83 178.95 2vxx h ALA 127 N 1.16 0.91 -0.36 3.87 0.00 -0.89 -2.03 119.26 121.92 2vxx h ALA 127 Ca 0.25 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2vxx h ALA 127 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2vxx h ALA 127 CO -0.03 0.68 -0.39 0.82 0.00 0.00 0.00 179.25 180.33 2vxx h ILE 128 N 1.06 1.28 -0.52 0.00 2.04 -0.84 -2.54 117.51 117.99 2vxx h ILE 128 Ca 0.21 -1.56 0.06 0.00 1.00 0.00 0.00 64.86 64.57 2vxx h ILE 128 Cb 0.44 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 2vxx h ILE 128 CO 0.01 0.52 0.22 0.40 0.00 0.00 0.00 178.15 179.30 2vxx h ILE 129 N 0.70 0.87 -0.29 -0.67 2.04 -0.26 0.23 117.51 120.13 2vxx h ILE 129 Ca 0.06 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.81 2vxx h ILE 129 Cb 0.97 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2vxx h ILE 129 CO 0.09 0.08 0.06 1.23 0.00 0.00 0.00 178.15 179.61 2vxx h GLY 130 N 0.42 0.33 1.05 5.37 0.00 -1.21 -2.23 103.07 106.80 2vxx h GLY 130 Ca 0.24 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 2vxx h GLY 130 CO -0.22 -0.01 -0.23 -2.08 0.00 0.00 0.00 176.54 174.00 2vxx h VAL 131 N 0.17 1.28 -0.58 4.60 2.07 -1.01 -2.76 116.25 120.01 2vxx h VAL 131 Ca 0.14 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.35 2vxx h VAL 131 Cb 0.14 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 2vxx h VAL 131 CO -0.18 0.46 0.23 -0.07 0.02 0.00 0.00 177.57 178.04 2vxx h LEU 132 N 0.69 0.26 -0.32 2.57 3.38 -0.41 -0.54 115.31 120.94 2vxx h LEU 132 Ca 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2vxx h LEU 132 Cb 0.80 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2vxx h LEU 132 CO 0.07 0.17 0.12 0.03 0.09 0.00 0.00 178.44 178.91 2vxx h ARG 133 N 0.43 0.49 -0.64 1.13 3.08 -1.33 0.06 114.38 117.60 2vxx h ARG 133 Ca 0.28 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2vxx h ARG 133 Cb 0.31 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2vxx h ARG 133 CO -0.27 0.50 0.40 1.96 -1.07 0.00 0.00 179.97 181.50 2vxx h GLN 134 N 0.37 0.86 -0.19 0.04 4.20 -1.21 -1.89 115.11 117.30 2vxx h GLN 134 Ca 0.11 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.56 2vxx h GLN 134 Cb 0.20 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2vxx h GLN 134 CO -0.01 0.60 -0.66 1.96 -0.67 0.00 0.00 178.83 180.05 2vxx h GLN 135 N 0.87 0.71 -0.41 1.46 1.08 -0.95 -0.77 115.11 117.10 2vxx h GLN 135 Ca 0.23 -0.51 -0.02 0.00 -1.45 0.00 0.00 58.65 56.90 2vxx h GLN 135 Cb -0.06 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2vxx h GLN 135 CO -0.05 1.13 0.16 0.00 -0.95 0.00 0.00 178.83 179.13 2vxx h ALA 136 N 0.74 0.53 -0.48 3.87 0.00 -0.95 0.44 119.26 123.42 2vxx h ALA 136 Ca -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2vxx h ALA 136 Cb 1.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2vxx h ALA 136 CO 0.13 0.14 0.30 1.15 0.00 0.00 0.00 179.25 180.97 2vxx h THR 137 N 0.52 1.14 -0.40 0.00 2.02 -1.24 -0.95 112.91 114.00 2vxx h THR 137 Ca 0.14 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.02 2vxx h THR 137 Cb 0.19 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2vxx h THR 137 CO -0.01 0.14 0.26 -0.61 0.37 0.00 0.00 175.52 175.67 2vxx h GLN 138 N 0.64 0.52 -0.10 6.66 4.15 -0.95 0.48 115.11 126.52 2vxx h GLN 138 Ca 0.17 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2vxx h GLN 138 Cb -0.03 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 2vxx h GLN 138 CO -0.03 0.35 0.06 0.00 -1.93 0.00 0.00 178.83 177.27 2vxx h ALA 139 N 1.15 0.13 -0.26 3.38 0.00 -0.52 0.47 119.26 123.61 2vxx h ALA 139 Ca 0.15 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2vxx h ALA 139 Cb -0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2vxx h ALA 139 CO -0.04 -0.34 -0.15 0.93 0.00 0.00 0.00 179.25 179.66 2vxx h GLU 140 N 0.07 -0.12 -0.95 0.00 5.08 -1.09 0.42 114.58 118.00 2vxx h GLU 140 Ca 0.04 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2vxx h GLU 140 Cb 0.07 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 2vxx h GLU 140 CO -0.01 -0.08 0.59 1.03 -1.00 0.00 0.00 179.01 179.54 2vxx h SER 141 N -0.13 0.88 0.24 1.42 0.87 -0.47 -2.01 113.55 114.35 2vxx h SER 141 Ca 0.14 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2vxx h SER 141 Cb 0.34 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2vxx h SER 141 CO -0.34 0.50 -0.12 0.18 -0.53 0.00 0.00 176.83 176.52 2vxx n LEU 142 N -4.63 0.75 0.00 2.23 4.77 0.12 -4.92 117.00 115.32 2vxx n LEU 142 Ca 0.16 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2vxx n LEU 142 Cb 0.29 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2vxx n LEU 142 CO 0.28 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2vxx n GLY 143 N 1.26 0.72 3.45 -0.72 0.00 -0.73 -4.97 105.19 104.19 2vxx n GLY 143 Ca 0.15 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2vxx n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vxx s ASP 144 N -2.14 6.92 0.23 1.61 -1.08 0.06 -4.86 116.67 117.41 2vxx s ASP 144 Ca 0.00 -2.70 -0.03 0.00 -0.52 0.00 0.00 52.55 49.30 2vxx s ASP 144 Cb 0.00 -2.38 0.23 0.00 -1.46 0.00 0.00 42.92 39.31 2vxx s ASP 144 CO 0.00 -0.82 1.66 0.03 0.52 0.00 0.00 175.17 176.56 2vxx h ARG 145 N 7.72 0.76 -0.32 4.34 3.08 -1.90 -2.51 114.38 125.54 2vxx h ARG 145 Ca 0.25 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 2vxx h ARG 145 Cb 0.93 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2vxx h ARG 145 CO 1.16 0.88 -0.29 0.00 -1.07 0.00 0.00 179.97 180.66 2vxx h ALA 146 N 1.13 0.47 -0.89 0.04 0.00 -1.95 -1.24 119.26 116.82 2vxx h ALA 146 Ca 0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2vxx h ALA 146 Cb 0.67 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2vxx h ALA 146 CO 0.05 0.49 0.48 1.15 0.00 0.00 0.00 179.25 181.42 2vxx h THR 147 N 0.53 1.26 -0.01 0.00 2.02 -1.94 0.11 112.91 114.87 2vxx h THR 147 Ca 0.06 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.60 2vxx h THR 147 Cb 0.86 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2vxx h THR 147 CO 0.07 0.29 -0.07 0.00 0.37 0.00 0.00 175.52 176.18 2vxx h ALA 148 N 1.26 -0.07 -0.23 6.16 0.00 -1.29 -0.48 119.26 124.62 2vxx h ALA 148 Ca 0.31 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2vxx h ALA 148 Cb 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2vxx h ALA 148 CO -0.05 -0.56 0.04 -0.92 0.00 0.00 0.00 179.25 177.76 2vxx h TYR 149 N -0.12 0.06 -0.42 0.00 5.03 -0.88 -1.14 116.97 119.50 2vxx h TYR 149 Ca 0.03 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.37 2vxx h TYR 149 Cb 0.17 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 2vxx h TYR 149 CO -0.15 0.01 0.25 1.25 -1.32 0.00 0.00 178.16 178.21 2vxx h LEU 150 N 0.13 0.41 -0.35 2.82 5.85 -0.60 -1.22 115.31 122.35 2vxx h LEU 150 Ca 0.10 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2vxx h LEU 150 Cb 0.11 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2vxx h LEU 150 CO -0.14 0.29 0.18 1.88 -0.34 0.00 0.00 178.44 180.31 2vxx h TYR 151 N 0.51 0.34 -0.94 1.25 0.05 -0.84 -0.83 116.97 116.50 2vxx h TYR 151 Ca 0.16 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.97 2vxx h TYR 151 Cb -0.00 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.59 2vxx h TYR 151 CO -0.07 0.19 0.62 -0.44 -1.05 0.00 0.00 178.16 177.41 2vxx h ASP 152 N 0.37 1.07 -0.14 3.88 3.32 -0.90 0.54 116.42 124.56 2vxx h ASP 152 Ca 0.14 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.19 2vxx h ASP 152 Cb 0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2vxx h ASP 152 CO -0.09 0.76 0.03 -0.61 -1.72 0.00 0.00 179.24 177.61 2vxx h GLN 153 N 1.26 0.08 -0.64 3.56 4.15 -0.85 -0.97 115.11 121.70 2vxx h GLN 153 Ca 0.35 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.69 2vxx h GLN 153 Cb -0.11 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 2vxx h GLN 153 CO -0.09 0.06 0.08 0.82 -1.93 0.00 0.00 178.83 177.77 2vxx h ILE 154 N 0.09 1.26 -0.61 2.39 2.04 -0.67 -3.17 117.51 118.83 2vxx h ILE 154 Ca 0.06 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2vxx h ILE 154 Cb 0.05 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2vxx h ILE 154 CO -0.08 0.39 0.40 0.25 0.00 0.00 0.00 178.15 179.11 2vxx h LEU 155 N 0.99 0.69 -0.45 1.44 5.85 0.42 -0.86 115.31 123.39 2vxx h LEU 155 Ca 0.19 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2vxx h LEU 155 Cb 0.46 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2vxx h LEU 155 CO 0.02 0.50 0.23 0.25 -0.34 0.00 0.00 178.44 179.10 2vxx h LEU 156 N 0.82 0.34 -0.75 2.25 5.85 -1.16 0.12 115.31 122.77 2vxx h LEU 156 Ca 0.23 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 2vxx h LEU 156 Cb -0.09 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2vxx h LEU 156 CO -0.05 0.24 -0.54 0.11 -0.34 0.00 0.00 178.44 177.86 2vxx h LYS 157 N 0.46 0.23 -0.09 1.25 6.56 -1.51 -2.42 116.57 121.05 2vxx h LYS 157 Ca 0.19 -0.14 -0.04 0.00 -1.06 0.00 0.00 60.65 59.60 2vxx h LYS 157 Cb 0.09 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 2vxx h LYS 157 CO -0.13 0.71 -0.10 1.15 -2.06 0.00 0.00 179.45 179.02 2vxx h THR 158 N 0.18 1.37 -0.98 -0.16 2.02 -0.71 -1.71 112.91 112.92 2vxx h THR 158 Ca 0.00 -1.29 0.05 0.00 0.77 0.00 0.00 66.41 65.94 2vxx h THR 158 Cb 1.01 2.01 -0.06 0.00 -1.74 0.00 0.00 68.15 69.38 2vxx h THR 158 CO 0.08 0.36 0.64 -0.33 0.37 0.00 0.00 175.52 176.64 2vxx h GLU 159 N -0.19 1.16 -0.30 6.66 5.08 -0.81 -0.90 114.58 125.28 2vxx h GLU 159 Ca 0.01 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2vxx h GLU 159 Cb 0.63 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2vxx h GLU 159 CO 0.03 0.77 0.17 1.49 -1.00 0.00 0.00 179.01 180.46 2vxx h GLU 160 N 1.20 0.41 -0.15 2.33 4.81 -1.32 -0.86 114.58 121.00 2vxx h GLU 160 Ca 0.40 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.62 2vxx h GLU 160 Cb 0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2vxx h GLU 160 CO -0.14 0.35 -0.05 0.00 -0.73 0.00 0.00 179.01 178.44 2vxx h ARG 161 N 0.37 -0.01 -0.34 1.92 3.08 -0.99 -1.92 114.38 116.49 2vxx h ARG 161 Ca 0.11 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.23 2vxx h ARG 161 Cb 0.05 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 2vxx h ARG 161 CO -0.02 -0.01 -0.23 0.00 -1.07 0.00 0.00 179.97 178.65 2vxx h ALA 162 N 1.13 -0.02 0.00 0.04 0.00 -0.73 -0.90 119.26 118.78 2vxx h ALA 162 Ca 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2vxx h ALA 162 Cb 0.13 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2vxx h ALA 162 CO -0.16 -0.62 -0.03 0.10 0.00 0.00 0.00 179.25 178.54 2vxx h TYR 163 N -0.19 0.00 -0.40 0.00 -0.00 -1.10 -1.72 116.97 113.56 2vxx h TYR 163 Ca 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.86 2vxx h TYR 163 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.16 2vxx h TYR 163 CO -0.43 0.03 0.10 0.45 -0.00 0.00 0.00 178.16 178.31 2vxx h HIS 164 N 0.00 0.67 -0.47 0.10 3.86 -0.74 -1.98 115.15 116.59 2vxx h HIS 164 Ca -0.00 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2vxx h HIS 164 Cb 0.82 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 2vxx h HIS 164 CO 0.00 0.64 0.26 0.82 0.86 0.00 0.00 177.93 180.51 2vxx h ILE 165 N 0.51 1.02 -0.56 2.45 2.04 -0.90 -2.46 117.51 119.60 2vxx h ILE 165 Ca 0.13 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.92 2vxx h ILE 165 Cb 0.31 0.45 -0.10 0.00 -0.74 0.00 0.00 36.82 36.73 2vxx h ILE 165 CO 0.00 0.10 -0.11 1.23 0.00 0.00 0.00 178.15 179.37 2vxx h GLY 166 N 0.52 0.45 1.01 5.37 0.00 -1.16 -1.63 103.07 107.63 2vxx h GLY 166 Ca 0.19 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 2vxx h GLY 166 CO -0.11 -0.21 0.41 0.45 0.00 0.00 0.00 176.54 177.08 2vxx h HIS 167 N 0.02 1.03 -0.92 5.60 3.86 -1.12 -1.87 115.15 121.76 2vxx h HIS 167 Ca 0.28 -0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.59 2vxx h HIS 167 Cb 0.43 -0.33 -0.09 0.00 1.06 0.00 0.00 27.41 28.48 2vxx h HIS 167 CO -0.44 0.72 0.54 0.74 0.86 0.00 0.00 177.93 180.35 2vxx h PHE 168 N 1.03 0.96 0.00 2.45 0.04 -0.86 -2.29 116.94 118.27 2vxx h PHE 168 Ca 0.26 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.07 2vxx h PHE 168 Cb 0.04 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 37.89 2vxx h PHE 168 CO -0.00 0.33 -0.12 1.28 -0.60 0.00 0.00 178.31 179.20 2vxx n LEU 169 N -4.74 0.38 -4.73 1.54 4.77 -0.71 -4.94 117.00 108.58 2vxx n LEU 169 Ca 0.18 0.44 -0.36 0.00 -0.03 0.00 0.00 56.01 56.23 2vxx n LEU 169 Cb 0.38 -0.38 0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2vxx n LEU 169 CO 0.25 -0.05 0.88 0.00 -1.33 0.00 0.00 177.39 177.15 2vxx s ALA 170 N -3.05 2.30 -1.47 -1.18 0.00 -0.80 -4.88 121.76 112.68 2vxx s ALA 170 Ca 0.12 1.15 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 2vxx s ALA 170 Cb 0.16 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.77 2vxx s ALA 170 CO 0.59 -1.69 2.33 -1.71 0.00 0.00 0.00 175.76 175.28 2vxx n ASN 171 N -2.11 4.91 -3.73 0.00 5.15 -1.26 -4.83 115.26 113.38 2vxx n ASN 171 Ca 0.15 -2.82 -0.12 0.00 -0.60 0.00 0.00 54.58 51.19 2vxx n ASN 171 Cb 0.48 -1.62 -0.07 0.00 -0.53 0.00 0.00 39.78 38.04 2vxx n ASN 171 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2vxx s ASP 172 N 2.75 -0.16 0.12 1.20 2.15 -1.26 -5.18 116.67 116.29 2vxx s ASP 172 Ca 0.50 -0.16 -0.26 0.00 0.43 0.00 0.00 52.55 53.07 2vxx s ASP 172 Cb 0.14 0.37 0.08 0.00 -0.30 0.00 0.00 42.92 43.21 2vxx s ASP 172 CO -0.08 -0.63 1.04 -0.94 -0.17 0.00 0.00 175.17 174.39 2vxx s SER 173 N -2.07 -0.13 0.00 -0.34 1.04 -1.26 -5.03 113.70 105.91 2vxx s SER 173 Ca -0.05 -0.38 0.28 0.00 0.48 0.00 0.00 55.95 56.28 2vxx s SER 173 Cb -0.01 0.42 1.01 0.00 0.10 0.00 0.00 66.02 67.54 2vxx s SER 173 CO -0.03 -0.78 1.73 0.18 0.98 0.00 0.00 173.24 175.31 2vxx n LEU 174 N -0.50 0.64 -4.75 2.42 4.77 -1.26 -4.93 117.00 113.39 2vxx n LEU 174 Ca -0.06 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 2vxx n LEU 174 Cb 0.61 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 2vxx n LEU 174 CO 0.14 0.12 1.17 -0.54 -1.33 0.00 0.00 177.39 176.95 2vxx s LYS 175 N -2.55 4.20 0.00 3.23 3.01 -1.26 -5.39 119.74 120.98 2vxx s LYS 175 Ca 0.25 2.44 0.00 0.00 -1.01 0.00 0.00 55.97 57.65 2vxx s LYS 175 Cb 0.19 -3.07 0.00 0.00 -1.01 0.00 0.00 37.83 33.95 2vxx s LYS 175 CO 0.51 -0.52 0.00 1.55 0.51 0.00 0.00 175.35 177.40