#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vva n HIS 4 N 0.00 0.04 -1.64 4.41 -0.00 -1.26 -5.08 115.22 111.70 2vva n HIS 4 Ca 0.00 -1.06 -0.32 0.00 -0.00 0.00 0.00 57.72 56.34 2vva n HIS 4 Cb 0.00 -0.21 0.05 0.00 -0.00 0.00 0.00 29.99 29.84 2vva n HIS 4 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 2vva s TRP 5 N -1.77 2.74 0.00 4.41 1.48 -1.26 -4.86 118.94 119.68 2vva s TRP 5 Ca 0.36 1.53 0.00 0.00 -1.06 0.00 0.00 56.10 56.93 2vva s TRP 5 Cb 0.38 -3.07 0.00 0.00 -1.16 0.00 0.00 33.47 29.62 2vva s TRP 5 CO -0.11 -1.56 0.00 0.41 -4.06 0.00 0.00 176.95 171.62 2vva n GLY 6 N -0.99 2.13 1.45 3.67 0.00 0.01 -5.03 105.19 106.43 2vva n GLY 6 Ca 0.09 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.84 2vva n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vva n TYR 7 N 0.00 0.23 -1.53 1.61 4.01 -1.26 -3.79 117.16 116.43 2vva n TYR 7 Ca 0.00 -0.95 0.00 0.00 -0.16 0.00 0.00 57.90 56.79 2vva n TYR 7 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 2vva n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vva n GLY 8 N -0.02 -0.09 0.15 2.72 0.00 -1.26 -4.87 105.19 101.82 2vva n GLY 8 Ca 0.10 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.44 2vva n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vva h LYS 9 N 0.00 0.00 0.00 1.61 1.57 -2.01 -3.33 116.57 114.41 2vva h LYS 9 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2vva h LYS 9 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2vva h LYS 9 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 2vva n HIS 10 N -2.38 0.00 -1.61 -1.35 8.25 -1.26 -4.84 115.22 112.04 2vva n HIS 10 Ca 0.02 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.50 2vva n HIS 10 Cb 0.25 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.38 2vva n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2vva n ASN 11 N -0.02 0.48 -3.66 0.41 6.94 -1.26 -4.97 115.26 113.18 2vva n ASN 11 Ca 0.00 -2.03 -0.26 0.00 -0.02 0.00 0.00 54.58 52.27 2vva n ASN 11 Cb 0.18 -0.20 0.19 0.00 -2.36 0.00 0.00 39.78 37.59 2vva n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2vva n GLY 12 N -0.26 -1.70 0.42 4.83 0.00 -1.25 -0.81 105.19 106.42 2vva n GLY 12 Ca 0.03 -1.67 0.26 0.00 0.00 0.00 0.00 46.02 44.64 2vva n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vva h PRO 13 N 0.00 0.31 0.00 1.61 0.11 -1.91 0.14 132.00 132.26 2vva h PRO 13 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2vva h PRO 13 Cb 1.08 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2vva h PRO 13 CO 0.27 0.21 0.00 1.05 -0.21 0.00 0.00 178.00 179.32 2vva h GLU 14 N 0.32 0.00 0.00 1.05 9.09 -1.95 -2.83 114.58 120.26 2vva h GLU 14 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.05 2vva h GLU 14 Cb 1.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.82 2vva h GLU 14 CO -0.32 0.00 -1.48 0.72 0.05 0.00 0.00 179.01 177.99 2vva n HIS 15 N -2.45 0.15 0.15 2.06 8.25 0.47 -4.60 115.22 119.24 2vva n HIS 15 Ca 0.00 0.04 0.11 0.00 -0.26 0.00 0.00 57.72 57.62 2vva n HIS 15 Cb 0.17 -0.42 0.63 0.00 1.12 0.00 0.00 29.99 31.48 2vva n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2vva h TRP 16 N 0.00 0.07 0.00 4.41 6.55 -1.45 -2.24 115.95 123.29 2vva h TRP 16 Ca 0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 2vva h TRP 16 Cb 0.83 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 29.11 2vva h TRP 16 CO 0.00 0.04 -0.00 1.12 -1.05 0.00 0.00 178.44 178.55 2vva h HIS 17 N 0.07 0.00 -0.16 0.49 2.07 -1.79 0.12 115.15 115.94 2vva h HIS 17 Ca 0.09 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.59 2vva h HIS 17 Cb 0.29 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.27 2vva h HIS 17 CO -0.00 0.00 0.02 0.87 -3.07 0.00 0.00 177.93 175.75 2vva h LYS 18 N 0.00 0.27 0.00 5.12 1.57 -1.75 -2.65 116.57 119.13 2vva h LYS 18 Ca -0.00 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2vva h LYS 18 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2vva h LYS 18 CO 0.00 0.46 -0.83 -0.44 -0.57 0.00 0.00 179.45 178.07 2vva h ASP 19 N 0.04 0.00 -2.59 0.86 5.19 -1.71 -3.41 116.42 114.79 2vva h ASP 19 Ca 0.05 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.86 2vva h ASP 19 Cb 0.33 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.44 2vva h ASP 19 CO 0.00 0.22 -0.78 0.49 -3.12 0.00 0.00 179.24 176.05 2vva n PHE 20 N -2.90 1.33 0.26 4.55 3.72 0.01 -4.98 117.46 119.45 2vva n PHE 20 Ca -0.01 -3.83 0.18 0.00 -0.05 0.00 0.00 57.45 53.73 2vva n PHE 20 Cb 0.65 -0.25 0.89 0.00 -0.94 0.00 0.00 39.48 39.83 2vva n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2vva h PRO 21 N 5.19 0.00 0.00 -1.08 0.13 -1.72 0.34 132.00 134.87 2vva h PRO 21 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2vva h PRO 21 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2vva h PRO 21 CO 0.57 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.85 2vva n ILE 22 N -3.38 1.31 -0.22 -3.56 3.06 -1.26 -2.06 119.36 113.25 2vva n ILE 22 Ca 0.00 0.36 0.31 0.00 -2.50 0.00 0.00 62.75 60.92 2vva n ILE 22 Cb 0.32 -1.22 0.73 0.00 0.54 0.00 0.00 39.64 40.01 2vva n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2vva h ALA 23 N 2.28 2.91 -0.71 1.51 0.00 -1.24 0.68 119.26 124.69 2vva h ALA 23 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 2vva h ALA 23 Cb 0.17 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 17.86 2vva h ALA 23 CO 0.00 -1.23 0.31 1.63 0.00 0.00 0.00 179.25 179.96 2vva n LYS 24 N -4.18 2.86 -0.84 0.00 5.02 -0.87 -4.96 118.16 115.19 2vva n LYS 24 Ca 0.21 -3.07 -0.16 0.00 -2.02 0.00 0.00 58.31 53.27 2vva n LYS 24 Cb 1.06 -2.10 0.12 0.00 -0.02 0.00 0.00 35.03 34.08 2vva n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vva n GLY 25 N -0.67 -1.82 0.11 0.72 0.00 0.23 -5.00 105.19 98.76 2vva n GLY 25 Ca 0.44 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.98 2vva n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vva n GLU 26 N -2.80 0.40 -2.67 1.61 -0.58 -1.26 -4.33 120.64 111.00 2vva n GLU 26 Ca 0.09 -0.23 -0.09 0.00 -0.42 0.00 0.00 57.16 56.51 2vva n GLU 26 Cb 0.31 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 2vva n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2vva n ARG 27 N -1.10 1.15 -3.08 3.49 1.85 -1.26 -4.67 116.66 113.04 2vva n ARG 27 Ca 0.09 -3.01 -0.32 0.00 -1.00 0.00 0.00 57.85 53.61 2vva n ARG 27 Cb 0.34 -1.04 -0.06 0.00 -1.05 0.00 0.00 32.46 30.65 2vva n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2vva s GLN 28 N -2.54 3.99 0.19 2.89 -1.52 -1.26 -2.77 119.66 118.64 2vva s GLN 28 Ca 0.26 0.68 0.09 0.00 -1.95 0.00 0.00 55.36 54.44 2vva s GLN 28 Cb 0.45 -2.41 -0.04 0.00 -0.22 0.00 0.00 33.01 30.79 2vva s GLN 28 CO 0.02 0.12 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.88 2vva s SER 29 N -2.37 2.74 0.98 5.90 0.01 -1.26 -4.68 113.70 115.01 2vva s SER 29 Ca 0.54 -0.93 -0.16 0.00 1.31 0.00 0.00 55.95 56.71 2vva s SER 29 Cb -0.10 -0.16 0.21 0.00 0.21 0.00 0.00 66.02 66.18 2vva s SER 29 CO 0.19 -0.07 1.33 -2.16 0.41 0.00 0.00 173.24 172.94 2vva s PRO 30 N -3.13 0.50 0.11 12.44 0.04 -1.26 -4.57 135.00 139.13 2vva s PRO 30 Ca 0.19 -0.45 0.01 0.00 0.04 0.00 0.00 61.00 60.79 2vva s PRO 30 Cb -0.04 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2vva s PRO 30 CO 0.07 -2.51 -0.02 0.14 0.04 0.00 0.00 177.00 174.73 2vva s VAL 31 N -3.90 0.50 0.11 -0.36 -7.23 -1.26 -0.43 120.40 107.82 2vva s VAL 31 Ca 0.75 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.70 2vva s VAL 31 Cb -0.03 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 35.03 2vva s VAL 31 CO 0.53 -0.73 0.98 -0.62 -0.31 0.00 0.00 175.10 174.95 2vva s ASP 32 N -3.05 7.47 -0.43 4.85 2.15 -1.26 -2.93 116.67 123.46 2vva s ASP 32 Ca 0.16 1.82 -0.15 0.00 0.43 0.00 0.00 52.55 54.81 2vva s ASP 32 Cb 0.06 -2.59 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 2vva s ASP 32 CO -0.03 -0.09 0.33 -0.63 -0.17 0.00 0.00 175.17 174.58 2vva s ILE 33 N 0.01 5.23 -0.47 4.11 1.01 0.42 -4.94 121.20 126.57 2vva s ILE 33 Ca 0.47 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 2vva s ILE 33 Cb -0.24 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.28 2vva s ILE 33 CO 0.30 -0.40 0.75 -0.62 0.00 0.00 0.00 174.94 174.98 2vva s ASP 34 N 1.97 6.35 0.60 3.58 2.15 -1.26 -0.80 116.67 129.26 2vva s ASP 34 Ca 0.05 -0.31 0.36 0.00 0.43 0.00 0.00 52.55 53.07 2vva s ASP 34 Cb -0.21 -2.36 1.91 0.00 -0.30 0.00 0.00 42.92 41.95 2vva s ASP 34 CO 0.09 -0.92 2.22 0.71 -0.17 0.00 0.00 175.17 177.09 2vva h THR 35 N 5.94 0.25 -0.14 1.71 1.35 -1.95 -2.06 112.91 118.00 2vva h THR 35 Ca -0.25 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2vva h THR 35 Cb 1.09 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2vva h THR 35 CO 0.96 0.03 0.00 1.41 -0.25 0.00 0.00 175.52 177.67 2vva n HIS 36 N -3.37 0.17 -0.03 4.73 8.25 -1.26 -4.07 115.22 119.64 2vva n HIS 36 Ca -0.02 -0.09 -0.03 0.00 -0.26 0.00 0.00 57.72 57.32 2vva n HIS 36 Cb 0.15 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 2vva n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2vva n THR 37 N 0.64 0.42 -1.72 1.59 -1.04 -0.84 -5.02 114.28 108.30 2vva n THR 37 Ca 0.17 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 2vva n THR 37 Cb 0.42 -0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 68.08 2vva n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vva s ALA 38 N -2.15 3.89 -0.09 2.41 0.00 -0.84 -4.93 121.76 120.04 2vva s ALA 38 Ca -0.04 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.45 2vva s ALA 38 Cb 0.02 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 2vva s ALA 38 CO 0.23 -1.01 -0.01 0.21 0.00 0.00 0.00 175.76 175.18 2vva s LYS 39 N 1.65 3.07 0.25 0.00 2.20 -1.13 -4.76 119.74 121.02 2vva s LYS 39 Ca 0.77 -0.43 -0.31 0.00 -0.36 0.00 0.00 55.97 55.63 2vva s LYS 39 Cb -0.49 -2.80 -0.12 0.00 -1.51 0.00 0.00 37.83 32.91 2vva s LYS 39 CO 0.33 0.63 1.56 0.98 -0.36 0.00 0.00 175.35 178.49 2vva n TYR 40 N 2.35 2.58 -3.98 4.03 9.36 -1.26 -0.69 117.16 129.55 2vva n TYR 40 Ca -0.18 0.28 -0.33 0.00 3.32 0.00 0.00 57.90 60.98 2vva n TYR 40 Cb 0.53 -2.56 -0.14 0.00 -0.63 0.00 0.00 39.34 36.54 2vva n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2vva s ASP 41 N 0.58 4.74 0.00 2.98 -1.08 -0.25 -4.83 116.67 118.81 2vva s ASP 41 Ca 0.68 -1.65 0.21 0.00 -0.52 0.00 0.00 52.55 51.27 2vva s ASP 41 Cb -0.56 -1.65 1.11 0.00 -1.46 0.00 0.00 42.92 40.36 2vva s ASP 41 CO 0.45 -0.30 1.68 -0.81 0.52 0.00 0.00 175.17 176.71 2vva n PRO 42 N 4.45 0.36 0.12 4.34 -0.04 -1.26 -2.33 135.00 140.64 2vva n PRO 42 Ca -0.07 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2vva n PRO 42 Cb 0.42 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.64 2vva n PRO 42 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2vva h SER 43 N 0.00 0.00 -2.82 3.54 4.64 -1.98 -3.45 113.55 113.48 2vva h SER 43 Ca 0.00 -0.05 -0.53 0.00 -0.47 0.00 0.00 61.79 60.74 2vva h SER 43 Cb 0.17 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.29 2vva h SER 43 CO 0.00 0.02 0.88 -0.76 -0.87 0.00 0.00 176.83 176.11 2vva s LEU 44 N -4.97 4.36 0.69 5.97 1.43 -0.98 -5.00 118.68 120.19 2vva s LEU 44 Ca 0.08 2.48 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 2vva s LEU 44 Cb 0.10 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.75 2vva s LEU 44 CO 0.66 -0.80 1.08 -0.54 0.23 0.00 0.00 176.35 176.98 2vva s LYS 45 N 1.70 2.92 0.30 1.70 -0.14 -1.12 -4.92 119.74 120.17 2vva s LYS 45 Ca 0.70 0.45 -0.29 0.00 -1.36 0.00 0.00 55.97 55.47 2vva s LYS 45 Cb -0.40 -2.04 -0.13 0.00 -1.68 0.00 0.00 37.83 33.57 2vva s LYS 45 CO 0.31 -0.98 1.23 -2.30 -0.76 0.00 0.00 175.35 172.85 2vva n PRO 46 N -2.96 1.84 -2.86 -1.68 -0.02 -1.26 -1.27 135.00 126.79 2vva n PRO 46 Ca 0.07 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 2vva n PRO 46 Cb 0.57 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 2vva n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2vva s LEU 47 N -0.28 4.59 -0.19 2.45 2.96 -1.26 -1.40 118.68 125.54 2vva s LEU 47 Ca 0.60 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 2vva s LEU 47 Cb -0.64 -3.45 0.04 0.00 0.50 0.00 0.00 46.19 42.65 2vva s LEU 47 CO 0.58 0.14 -0.08 -0.55 -1.32 0.00 0.00 176.35 175.12 2vva s SER 48 N -0.90 3.27 -0.38 3.68 0.15 0.29 -4.88 113.70 114.92 2vva s SER 48 Ca 0.39 -0.85 -0.09 0.00 0.70 0.00 0.00 55.95 56.10 2vva s SER 48 Cb -0.24 -1.12 0.05 0.00 -1.71 0.00 0.00 66.02 63.00 2vva s SER 48 CO 0.29 -0.17 0.20 -0.69 1.20 0.00 0.00 173.24 174.07 2vva s VAL 49 N 1.48 4.21 -0.70 4.45 1.01 -1.26 -1.67 120.40 127.92 2vva s VAL 49 Ca -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.81 2vva s VAL 49 Cb -0.16 -3.46 0.17 0.00 0.00 0.00 0.00 36.38 32.93 2vva s VAL 49 CO -0.08 -0.33 0.51 -0.55 0.00 0.00 0.00 175.10 174.65 2vva s SER 50 N 1.74 5.18 0.00 3.32 0.15 -0.28 -4.88 113.70 118.93 2vva s SER 50 Ca 0.01 -3.36 0.09 0.00 0.70 0.00 0.00 55.95 53.40 2vva s SER 50 Cb -0.21 -1.78 0.20 0.00 -1.71 0.00 0.00 66.02 62.52 2vva s SER 50 CO 0.04 -0.23 1.07 -1.22 1.20 0.00 0.00 173.24 174.10 2vva n TYR 51 N 2.74 0.26 -0.19 3.44 4.01 -1.26 -1.21 117.16 124.94 2vva n TYR 51 Ca 0.14 -0.32 0.14 0.00 -0.16 0.00 0.00 57.90 57.70 2vva n TYR 51 Cb 0.36 -0.02 0.46 0.00 -0.31 0.00 0.00 39.34 39.83 2vva n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2vva h ASP 52 N 1.80 0.47 -0.51 7.72 3.58 -1.90 -1.72 116.42 125.86 2vva h ASP 52 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2vva h ASP 52 Cb 0.59 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2vva h ASP 52 CO 0.00 0.25 0.00 0.00 -2.88 0.00 0.00 179.24 176.61 2vva n GLN 53 N -4.50 4.47 -1.74 0.28 1.13 -1.20 -5.00 117.38 110.82 2vva n GLN 53 Ca 0.15 -3.10 -0.42 0.00 -1.94 0.00 0.00 57.00 51.69 2vva n GLN 53 Cb 0.50 -2.17 -0.01 0.00 0.11 0.00 0.00 30.24 28.66 2vva n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2vva n ALA 54 N 0.40 2.14 -3.88 -1.58 0.00 -0.65 -4.56 120.51 112.38 2vva n ALA 54 Ca 0.26 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.77 2vva n ALA 54 Cb 1.13 -2.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.04 2vva n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2vva s THR 55 N -0.49 1.78 0.57 0.00 2.01 -1.26 -4.95 115.64 113.30 2vva s THR 55 Ca 0.60 -2.22 -0.17 0.00 0.31 0.00 0.00 61.69 60.21 2vva s THR 55 Cb -0.52 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 2vva s THR 55 CO 0.55 -0.69 1.06 -0.94 -0.69 0.00 0.00 174.62 173.92 2vva s SER 56 N 0.89 5.85 0.00 3.53 1.04 -1.26 -0.69 113.70 123.05 2vva s SER 56 Ca 0.12 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.44 2vva s SER 56 Cb -0.20 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2vva s SER 56 CO -0.11 -1.12 0.00 0.18 0.98 0.00 0.00 173.24 173.17 2vva n LEU 57 N -1.75 1.06 -3.47 2.42 4.77 0.19 -3.95 117.00 116.26 2vva n LEU 57 Ca 0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 2vva n LEU 57 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2vva n LEU 57 CO 0.45 0.09 0.42 -0.60 -1.33 0.00 0.00 177.39 176.43 2vva s ARG 58 N -1.76 1.16 -0.05 3.23 3.52 -1.21 -1.20 118.95 122.64 2vva s ARG 58 Ca 0.00 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.55 2vva s ARG 58 Cb 0.00 0.54 -0.00 0.00 -1.56 0.00 0.00 34.95 33.93 2vva s ARG 58 CO 0.00 -0.44 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.39 2vva s ILE 59 N -2.41 1.38 -0.05 4.11 2.07 -0.48 -0.61 121.20 125.21 2vva s ILE 59 Ca -0.05 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 2vva s ILE 59 Cb -0.00 -1.19 0.02 0.00 0.13 0.00 0.00 42.46 41.41 2vva s ILE 59 CO -0.01 0.40 -0.07 -0.22 -1.91 0.00 0.00 174.94 173.13 2vva s LEU 60 N 0.11 1.44 -0.43 8.50 2.96 -0.46 -1.24 118.68 129.56 2vva s LEU 60 Ca -0.05 -0.18 -0.25 0.00 -0.22 0.00 0.00 54.13 53.43 2vva s LEU 60 Cb -0.12 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 46.03 2vva s LEU 60 CO 0.02 -0.02 0.88 0.21 -1.32 0.00 0.00 176.35 176.12 2vva s ASN 61 N 0.82 6.52 0.00 3.68 3.84 -0.34 -0.90 114.94 128.56 2vva s ASN 61 Ca -0.12 0.19 0.20 0.00 0.21 0.00 0.00 52.86 53.33 2vva s ASN 61 Cb -0.15 -2.43 0.55 0.00 -0.55 0.00 0.00 41.25 38.67 2vva s ASN 61 CO 0.01 -0.94 1.46 -0.46 -2.79 0.00 0.00 177.10 174.38 2vva n ASN 62 N 6.90 3.33 0.00 -4.21 0.23 -0.66 -0.22 115.26 120.62 2vva n ASN 62 Ca 0.05 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 2vva n ASN 62 Cb 0.48 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 2vva n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vva n GLY 63 N 1.49 1.46 0.42 4.83 0.00 -1.26 -4.77 105.19 107.36 2vva n GLY 63 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 2vva n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2vva n HIS 64 N -2.00 0.00 -2.88 1.61 8.25 -1.26 -4.70 115.22 114.24 2vva n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2vva n HIS 64 Cb 0.00 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.08 2vva n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2vva n ALA 65 N -2.75 0.00 -2.35 -1.41 0.00 -1.26 -4.87 120.51 107.87 2vva n ALA 65 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 2vva n ALA 65 Cb 0.51 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 2vva n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2vva s PHE 66 N -5.38 2.28 -0.16 0.00 -0.71 -1.26 -1.66 117.98 111.09 2vva s PHE 66 Ca 0.00 -0.45 -0.04 0.00 -1.04 0.00 0.00 56.93 55.41 2vva s PHE 66 Cb 0.00 -1.47 -0.03 0.00 -1.21 0.00 0.00 43.02 40.32 2vva s PHE 66 CO 0.00 -0.05 -0.04 -0.80 -1.34 0.00 0.00 175.22 173.00 2vva s ASN 67 N -0.57 4.76 -0.33 1.98 0.01 -0.08 -4.32 114.94 116.40 2vva s ASN 67 Ca 0.09 -0.15 -0.19 0.00 -0.71 0.00 0.00 52.86 51.89 2vva s ASN 67 Cb -0.10 -1.78 -0.01 0.00 0.41 0.00 0.00 41.25 39.77 2vva s ASN 67 CO -0.01 0.15 0.59 -0.69 -1.51 0.00 0.00 177.10 175.63 2vva s VAL 68 N 0.47 4.96 -0.07 1.60 1.01 0.18 -1.36 120.40 127.19 2vva s VAL 68 Ca -0.03 0.64 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 2vva s VAL 68 Cb -0.14 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2vva s VAL 68 CO 0.03 -0.19 0.16 -1.61 0.00 0.00 0.00 175.10 173.49 2vva s GLU 69 N 2.55 3.45 0.22 2.72 2.02 0.22 -1.15 118.70 128.74 2vva s GLU 69 Ca 0.23 -0.20 0.11 0.00 0.02 0.00 0.00 54.97 55.13 2vva s GLU 69 Cb -0.15 -3.15 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 2vva s GLU 69 CO 0.13 0.73 -0.18 -0.06 0.02 0.00 0.00 175.26 175.91 2vva s PHE 70 N -1.16 2.40 -0.42 1.61 0.08 -0.48 -0.64 117.98 119.39 2vva s PHE 70 Ca 0.20 -0.31 -0.28 0.00 0.12 0.00 0.00 56.93 56.66 2vva s PHE 70 Cb -0.12 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.19 2vva s PHE 70 CO 0.10 0.58 1.66 0.34 -0.10 0.00 0.00 175.22 177.80 2vva s ASP 71 N -3.03 5.94 -0.32 1.36 2.15 0.13 -4.86 116.67 118.04 2vva s ASP 71 Ca 0.25 0.92 0.08 0.00 0.43 0.00 0.00 52.55 54.23 2vva s ASP 71 Cb -0.07 -2.53 0.54 0.00 -0.30 0.00 0.00 42.92 40.55 2vva s ASP 71 CO 0.13 -1.74 1.54 -0.90 -0.17 0.00 0.00 175.17 174.03 2vva n ASP 72 N 10.21 2.70 0.04 -0.34 5.75 -1.26 -4.61 116.55 129.04 2vva n ASP 72 Ca 0.20 -3.74 0.12 0.00 -0.01 0.00 0.00 54.79 51.35 2vva n ASP 72 Cb 0.48 -0.67 0.49 0.00 -1.03 0.00 0.00 41.12 40.39 2vva n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2vva n SER 73 N -1.11 0.26 -3.51 -1.12 3.41 -1.26 -4.86 113.62 105.43 2vva n SER 73 Ca 0.37 0.54 -0.10 0.00 -0.26 0.00 0.00 58.87 59.42 2vva n SER 73 Cb 1.14 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 2vva n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2vva s GLN 74 N -3.06 1.86 -1.22 4.33 -0.21 -1.26 -5.07 119.66 115.03 2vva s GLN 74 Ca 0.10 -1.37 -0.08 0.00 0.02 0.00 0.00 55.36 54.03 2vva s GLN 74 Cb 0.14 0.53 -0.07 0.00 1.00 0.00 0.00 33.01 34.62 2vva s GLN 74 CO 0.47 -0.82 2.46 -0.25 -2.12 0.00 0.00 175.29 175.02 2vva n ASP 75 N -0.91 6.39 0.11 5.90 8.00 -1.26 -4.64 116.55 130.13 2vva n ASP 75 Ca -0.03 -2.45 -0.18 0.00 0.71 0.00 0.00 54.79 52.83 2vva n ASP 75 Cb 0.61 -1.31 -0.14 0.00 -0.02 0.00 0.00 41.12 40.26 2vva n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2vva h LYS 76 N 5.82 0.33 -3.06 -1.24 1.57 -1.86 -3.43 116.57 114.70 2vva h LYS 76 Ca 0.65 -0.56 -0.42 0.00 -1.87 0.00 0.00 60.65 58.45 2vva h LYS 76 Cb 0.24 0.21 -0.40 0.00 0.08 0.00 0.00 32.23 32.36 2vva h LYS 76 CO 1.62 1.26 -0.73 0.00 -0.57 0.00 0.00 179.45 181.02 2vva s ALA 77 N -2.64 0.30 0.09 3.86 0.00 -1.26 -2.92 121.76 119.18 2vva s ALA 77 Ca -0.06 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.82 2vva s ALA 77 Cb 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2vva s ALA 77 CO 0.89 -1.01 -0.09 0.14 0.00 0.00 0.00 175.76 175.69 2vva s VAL 78 N 2.17 0.83 -0.11 0.00 -7.23 -0.35 -0.86 120.40 114.86 2vva s VAL 78 Ca 0.03 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2vva s VAL 78 Cb -0.15 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 2vva s VAL 78 CO -0.08 -0.57 -0.17 -0.22 -0.31 0.00 0.00 175.10 173.76 2vva s LEU 79 N -2.36 2.51 0.17 1.32 2.96 0.10 -1.12 118.68 122.25 2vva s LEU 79 Ca 0.03 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2vva s LEU 79 Cb -0.03 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 2vva s LEU 79 CO -0.01 0.20 0.12 -0.54 -1.32 0.00 0.00 176.35 174.80 2vva s LYS 80 N 0.16 1.09 1.61 1.98 1.02 -0.67 -1.51 119.74 123.42 2vva s LYS 80 Ca -0.09 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 54.39 2vva s LYS 80 Cb -0.16 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 2vva s LYS 80 CO 0.06 -0.35 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 2vva n GLY 81 N -0.20 -1.71 7.00 -3.33 0.00 -1.26 -0.55 105.19 105.15 2vva n GLY 81 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2vva n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vva n GLY 82 N 0.00 3.33 0.03 -0.02 0.00 -0.40 -1.35 105.19 106.78 2vva n GLY 82 Ca 0.00 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2vva n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vva n PRO 83 N 13.78 0.40 -3.13 1.61 -0.04 -1.26 -2.81 135.00 143.55 2vva n PRO 83 Ca 0.00 -0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 63.03 2vva n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2vva n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2vva s LEU 84 N -2.64 4.37 -0.18 1.53 1.43 -0.46 -5.06 118.68 117.67 2vva s LEU 84 Ca 0.25 1.38 -0.07 0.00 -1.03 0.00 0.00 54.13 54.66 2vva s LEU 84 Cb 0.20 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 2vva s LEU 84 CO 0.49 0.07 0.07 -1.81 0.23 0.00 0.00 176.35 175.40 2vva s ASP 85 N -1.59 5.68 0.00 2.29 1.01 -1.26 -4.08 116.67 118.72 2vva s ASP 85 Ca 0.41 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.77 2vva s ASP 85 Cb -0.17 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.80 2vva s ASP 85 CO 0.21 0.19 0.00 0.61 0.21 0.00 0.00 175.17 176.39 2vva n GLY 86 N 3.42 -1.29 3.21 0.21 0.00 -1.26 -4.92 105.19 104.57 2vva n GLY 86 Ca -0.17 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 2vva n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vva s THR 87 N 0.00 1.99 -0.15 2.61 2.01 -1.26 -4.48 115.64 116.36 2vva s THR 87 Ca 0.00 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.02 2vva s THR 87 Cb 0.00 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.80 2vva s THR 87 CO 0.00 0.55 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.98 2vva s TYR 88 N 0.26 2.73 -0.12 4.92 2.02 -0.57 -1.36 117.35 125.22 2vva s TYR 88 Ca -0.15 -1.24 -0.17 0.00 -0.37 0.00 0.00 57.07 55.14 2vva s TYR 88 Cb -0.17 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 2vva s TYR 88 CO 0.08 -0.57 0.43 1.03 -1.57 0.00 0.00 175.55 174.94 2vva s ARG 89 N 0.87 4.30 0.08 -0.62 0.52 0.32 -0.73 118.95 123.69 2vva s ARG 89 Ca -0.05 0.36 -0.31 0.00 -0.52 0.00 0.00 55.73 55.21 2vva s ARG 89 Cb -0.15 -3.42 -0.09 0.00 0.52 0.00 0.00 34.95 31.80 2vva s ARG 89 CO -0.02 0.21 1.82 -1.17 0.02 0.00 0.00 175.30 176.15 2vva s LEU 90 N 0.50 4.40 -0.16 2.53 2.96 -0.04 -1.12 118.68 127.74 2vva s LEU 90 Ca 0.23 2.65 0.02 0.00 -0.22 0.00 0.00 54.13 56.81 2vva s LEU 90 Cb -0.15 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 2vva s LEU 90 CO 0.09 -0.99 -0.13 0.00 -1.32 0.00 0.00 176.35 174.00 2vva n ILE 91 N 4.98 0.93 -3.48 6.68 3.06 -0.15 -4.50 119.36 126.88 2vva n ILE 91 Ca 0.18 -0.37 -0.11 0.00 -2.50 0.00 0.00 62.75 59.95 2vva n ILE 91 Cb 0.40 -1.04 -0.03 0.00 0.54 0.00 0.00 39.64 39.51 2vva n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2vva s GLN 92 N -2.32 1.00 0.23 9.51 1.03 -1.21 -1.38 119.66 126.52 2vva s GLN 92 Ca -0.21 -0.27 0.10 0.00 0.04 0.00 0.00 55.36 55.02 2vva s GLN 92 Cb 0.05 0.46 -0.05 0.00 0.03 0.00 0.00 33.01 33.51 2vva s GLN 92 CO 0.39 -0.42 -0.18 -0.59 -2.54 0.00 0.00 175.29 171.95 2vva s PHE 93 N -3.00 2.05 0.30 9.60 -0.71 -0.30 -0.85 117.98 125.07 2vva s PHE 93 Ca 0.01 -0.43 -0.15 0.00 -1.04 0.00 0.00 56.93 55.33 2vva s PHE 93 Cb -0.01 -0.93 0.02 0.00 -1.21 0.00 0.00 43.02 40.89 2vva s PHE 93 CO -0.08 0.53 0.63 -3.38 -1.34 0.00 0.00 175.22 171.58 2vva s HIS 94 N -2.51 0.24 0.23 3.49 -3.43 -0.64 -0.65 115.29 112.03 2vva s HIS 94 Ca 0.25 -0.69 0.08 0.00 -0.80 0.00 0.00 55.06 53.90 2vva s HIS 94 Cb -0.04 0.47 -0.05 0.00 -1.43 0.00 0.00 32.58 31.52 2vva s HIS 94 CO 0.11 -1.23 -0.12 -0.06 -2.00 0.00 0.00 174.74 171.44 2vva s PHE 95 N -3.44 1.82 -0.05 0.38 0.08 -1.26 -0.52 117.98 114.98 2vva s PHE 95 Ca 0.18 -0.61 0.04 0.00 0.12 0.00 0.00 56.93 56.67 2vva s PHE 95 Cb -0.03 -0.91 -0.00 0.00 -0.57 0.00 0.00 43.02 41.51 2vva s PHE 95 CO 0.11 0.35 -0.16 -1.01 -0.10 0.00 0.00 175.22 174.40 2vva s HIS 96 N -2.97 1.66 0.19 0.36 3.76 -0.13 -4.75 115.29 113.42 2vva s HIS 96 Ca 0.25 -0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 54.57 2vva s HIS 96 Cb 0.01 -1.14 -0.01 0.00 1.11 0.00 0.00 32.58 32.55 2vva s HIS 96 CO 0.09 -0.19 0.31 1.67 -0.85 0.00 0.00 174.74 175.77 2vva s TRP 97 N 0.16 0.50 0.47 1.40 -2.14 -1.22 -0.88 118.94 117.22 2vva s TRP 97 Ca -0.06 -0.84 0.08 0.00 2.66 0.00 0.00 56.10 57.94 2vva s TRP 97 Cb -0.12 -0.06 0.02 0.00 -3.10 0.00 0.00 33.47 30.20 2vva s TRP 97 CO 0.03 -0.78 0.54 0.20 -2.66 0.00 0.00 176.95 174.27 2vva s GLY 98 N -3.01 2.01 0.43 3.67 0.00 -1.14 -1.00 107.32 108.28 2vva s GLY 98 Ca 0.22 -1.80 0.24 0.00 0.00 0.00 0.00 44.72 43.38 2vva s GLY 98 CO 0.04 -1.65 1.73 1.48 0.00 0.00 0.00 173.10 174.70 2vva h SER 99 N 0.68 0.00 -5.48 1.64 4.64 -1.88 -3.38 113.55 109.76 2vva h SER 99 Ca -0.38 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.74 2vva h SER 99 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 2vva h SER 99 CO 0.50 0.19 -0.61 -0.76 -0.87 0.00 0.00 176.83 175.27 2vva s LEU 100 N -6.49 1.45 0.42 5.97 1.43 -1.26 -5.06 118.68 115.14 2vva s LEU 100 Ca 0.03 -1.26 0.29 0.00 -1.03 0.00 0.00 54.13 52.16 2vva s LEU 100 Cb 0.08 0.40 1.21 0.00 0.03 0.00 0.00 46.19 47.91 2vva s LEU 100 CO 0.65 -0.79 1.87 0.44 0.23 0.00 0.00 176.35 178.75 2vva h ASP 101 N 2.74 0.00 -0.01 2.29 3.32 -1.91 -2.98 116.42 119.87 2vva h ASP 101 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2vva h ASP 101 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2vva h ASP 101 CO 0.56 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 2vva n GLY 102 N 0.01 -0.96 3.61 2.75 0.00 -1.26 -3.34 105.19 105.99 2vva n GLY 102 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 2vva n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2vva s GLN 103 N -1.99 1.51 0.00 1.61 -2.07 -1.13 -4.71 119.66 112.87 2vva s GLN 103 Ca 0.24 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 52.82 2vva s GLN 103 Cb 0.11 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.56 2vva s GLN 103 CO 0.19 -0.65 0.00 0.41 -1.32 0.00 0.00 175.29 173.92 2vva n GLY 104 N -0.38 3.48 3.81 2.60 0.00 -1.09 -3.11 105.19 110.50 2vva n GLY 104 Ca -0.07 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 2vva n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vva s SER 105 N 0.00 5.33 -0.19 1.61 1.04 -0.29 -3.41 113.70 117.79 2vva s SER 105 Ca 0.00 1.69 -0.15 0.00 0.48 0.00 0.00 55.95 57.96 2vva s SER 105 Cb 0.00 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 2vva s SER 105 CO 0.00 -1.48 -0.21 -0.62 0.98 0.00 0.00 173.24 171.92 2vva n GLU 106 N -2.97 0.53 -1.97 4.02 1.02 -1.26 -4.84 120.64 115.16 2vva n GLU 106 Ca 0.08 0.38 -0.34 0.00 -0.02 0.00 0.00 57.16 57.25 2vva n GLU 106 Cb 0.53 -1.57 0.03 0.00 -0.02 0.00 0.00 31.44 30.41 2vva n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2vva s HIS 107 N -2.54 2.54 0.18 -0.32 3.76 -1.26 -4.17 115.29 113.47 2vva s HIS 107 Ca -0.27 1.55 0.07 0.00 -0.15 0.00 0.00 55.06 56.26 2vva s HIS 107 Cb 0.06 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 2vva s HIS 107 CO 0.41 -1.84 -0.14 0.95 -0.85 0.00 0.00 174.74 173.27 2vva s THR 108 N -1.94 1.56 -0.24 1.30 -4.23 -1.15 -4.68 115.64 106.26 2vva s THR 108 Ca 0.72 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2vva s THR 108 Cb -0.25 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 71.73 2vva s THR 108 CO 0.35 -0.59 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.12 2vva s VAL 109 N -2.90 1.35 -1.49 2.29 1.01 -0.75 -0.44 120.40 119.48 2vva s VAL 109 Ca 0.19 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 2vva s VAL 109 Cb -0.01 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.74 2vva s VAL 109 CO 0.05 -0.18 0.99 0.47 0.00 0.00 0.00 175.10 176.42 2vva n ASP 110 N 4.73 -4.65 0.00 3.32 8.00 0.02 -0.74 116.55 127.23 2vva n ASP 110 Ca -0.10 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.65 2vva n ASP 110 Cb 0.44 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 2vva n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2vva n LYS 111 N -4.69 -0.05 -2.33 -1.24 4.76 -1.26 -4.99 118.16 108.35 2vva n LYS 111 Ca 0.00 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 2vva n LYS 111 Cb 0.55 -3.32 -0.03 0.00 -1.84 0.00 0.00 35.03 30.38 2vva n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2vva s LYS 112 N -0.42 4.40 -0.14 1.97 2.20 0.08 -4.99 119.74 122.84 2vva s LYS 112 Ca 0.00 1.88 -0.14 0.00 -0.36 0.00 0.00 55.97 57.36 2vva s LYS 112 Cb 0.00 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 2vva s LYS 112 CO 0.00 -0.29 0.30 0.15 -0.36 0.00 0.00 175.35 175.15 2vva s LYS 113 N 0.87 4.16 0.64 4.03 1.02 -1.26 -1.80 119.74 127.40 2vva s LYS 113 Ca 0.60 0.12 -0.06 0.00 0.02 0.00 0.00 55.97 56.64 2vva s LYS 113 Cb -0.32 -3.39 0.03 0.00 -0.52 0.00 0.00 37.83 33.63 2vva s LYS 113 CO 0.31 0.32 0.96 0.71 -0.92 0.00 0.00 175.35 176.73 2vva s TYR 114 N 0.20 3.11 0.25 3.18 2.02 -1.26 -4.65 117.35 120.20 2vva s TYR 114 Ca 0.17 0.58 0.19 0.00 -0.37 0.00 0.00 57.07 57.64 2vva s TYR 114 Cb -0.13 -2.95 0.80 0.00 -0.40 0.00 0.00 41.96 39.28 2vva s TYR 114 CO 0.05 -1.09 1.80 0.00 -1.57 0.00 0.00 175.55 174.74 2vva h ALA 115 N -0.38 1.11 -2.79 3.71 0.00 -1.42 -0.69 119.26 118.79 2vva h ALA 115 Ca -0.45 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.25 2vva h ALA 115 Cb 1.28 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2vva h ALA 115 CO 0.61 0.43 0.31 0.00 0.00 0.00 0.00 179.25 180.59 2vva s ALA 116 N -3.81 -1.36 -0.11 0.00 0.00 -1.11 -2.91 121.76 112.47 2vva s ALA 116 Ca -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 2vva s ALA 116 Cb 0.12 0.79 0.05 0.00 0.00 0.00 0.00 23.12 24.07 2vva s ALA 116 CO 0.68 -1.04 0.26 -2.00 0.00 0.00 0.00 175.76 173.65 2vva s GLU 117 N -3.72 0.21 -0.09 0.00 2.12 -0.06 -1.37 118.70 115.78 2vva s GLU 117 Ca 0.11 0.58 -0.12 0.00 0.36 0.00 0.00 54.97 55.90 2vva s GLU 117 Cb -0.05 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.19 2vva s GLU 117 CO 0.05 -0.18 0.29 -1.17 -0.54 0.00 0.00 175.26 173.71 2vva s LEU 118 N 1.44 4.37 -0.18 2.70 2.96 0.34 -0.96 118.68 129.36 2vva s LEU 118 Ca -0.08 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 2vva s LEU 118 Cb -0.11 -2.36 0.04 0.00 0.50 0.00 0.00 46.19 44.26 2vva s LEU 118 CO -0.09 0.27 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.11 2vva s HIS 119 N -0.52 2.19 -0.36 5.38 3.76 0.32 -0.63 115.29 125.44 2vva s HIS 119 Ca 0.19 -1.39 -0.15 0.00 -0.15 0.00 0.00 55.06 53.56 2vva s HIS 119 Cb -0.14 -1.55 -0.01 0.00 1.11 0.00 0.00 32.58 31.99 2vva s HIS 119 CO 0.07 -0.70 0.34 -0.51 -0.85 0.00 0.00 174.74 173.09 2vva s LEU 120 N 1.47 4.57 -0.20 0.89 1.02 -0.16 -1.62 118.68 124.66 2vva s LEU 120 Ca 0.01 -0.40 -0.08 0.00 0.02 0.00 0.00 54.13 53.68 2vva s LEU 120 Cb -0.15 -2.28 -0.04 0.00 0.02 0.00 0.00 46.19 43.74 2vva s LEU 120 CO -0.09 -0.35 0.09 -0.69 0.02 0.00 0.00 176.35 175.33 2vva s VAL 121 N 1.93 4.91 0.03 -1.59 1.01 -0.03 -1.17 120.40 125.50 2vva s VAL 121 Ca 0.10 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2vva s VAL 121 Cb -0.17 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2vva s VAL 121 CO 0.11 0.42 -0.13 -1.00 0.00 0.00 0.00 175.10 174.51 2vva s HIS 122 N 0.64 1.10 0.06 5.22 3.76 -0.38 -0.98 115.29 124.72 2vva s HIS 122 Ca 0.05 -0.35 0.09 0.00 -0.15 0.00 0.00 55.06 54.71 2vva s HIS 122 Cb -0.13 -0.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 2vva s HIS 122 CO 0.01 0.02 -0.26 1.67 -0.85 0.00 0.00 174.74 175.33 2vva s TRP 123 N -0.84 2.34 -0.16 1.40 1.48 -0.28 -0.90 118.94 121.98 2vva s TRP 123 Ca 0.00 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.35 2vva s TRP 123 Cb -0.08 -1.37 -0.03 0.00 -1.16 0.00 0.00 33.47 30.84 2vva s TRP 123 CO 0.01 0.17 1.47 1.21 -4.06 0.00 0.00 176.95 175.76 2vva s ASN 124 N -1.41 6.70 0.21 -2.66 3.84 0.59 -0.52 114.94 121.69 2vva s ASN 124 Ca 0.12 1.80 0.21 0.00 0.21 0.00 0.00 52.86 55.21 2vva s ASN 124 Cb -0.10 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.97 2vva s ASN 124 CO 0.03 -0.96 1.64 0.35 -2.79 0.00 0.00 177.10 175.37 2vva n THR 125 N 5.73 0.90 0.28 -5.21 -2.24 -0.47 -1.98 114.28 111.29 2vva n THR 125 Ca 0.16 0.28 0.16 0.00 -2.27 0.00 0.00 64.05 62.38 2vva n THR 125 Cb 0.44 -1.18 0.76 0.00 -2.10 0.00 0.00 70.33 68.25 2vva n THR 125 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2vva h LYS 127 N 0.00 0.00 -0.02 -0.78 2.10 -1.90 -2.06 116.57 113.91 2vva h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2vva h LYS 127 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2vva h LYS 127 CO 0.00 0.06 -0.13 0.66 -2.00 0.00 0.00 179.45 178.04 2vva n TYR 128 N -3.24 0.00 0.00 0.07 4.01 -0.84 -5.00 117.16 112.17 2vva n TYR 128 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2vva n TYR 128 Cb 0.27 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 2vva n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vva n GLY 129 N 1.29 1.92 3.24 2.72 0.00 -0.78 -4.60 105.19 108.99 2vva n GLY 129 Ca 0.15 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2vva n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2vva s ASP 130 N 0.00 -0.06 0.24 1.61 1.47 -1.26 -5.04 116.67 113.63 2vva s ASP 130 Ca 0.00 -0.36 -0.05 0.00 1.18 0.00 0.00 52.55 53.32 2vva s ASP 130 Cb 0.00 0.37 0.38 0.00 -0.34 0.00 0.00 42.92 43.33 2vva s ASP 130 CO 0.00 -0.69 1.80 0.15 0.68 0.00 0.00 175.17 177.11 2vva h PHE 131 N 2.95 0.77 -0.51 2.11 3.57 -1.94 -1.24 116.94 122.65 2vva h PHE 131 Ca -0.33 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.17 2vva h PHE 131 Cb 1.21 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2vva h PHE 131 CO 0.43 0.30 0.17 0.78 -2.23 0.00 0.00 178.31 177.76 2vva h GLY 132 N 0.72 0.80 1.16 2.40 0.00 -1.97 -0.97 103.07 105.20 2vva h GLY 132 Ca 0.38 -0.41 -0.21 0.00 0.00 0.00 0.00 47.33 47.09 2vva h GLY 132 CO -0.26 0.39 -0.71 0.50 0.00 0.00 0.00 176.54 176.46 2vva h LYS 133 N 0.73 0.82 -0.93 4.80 1.79 -1.75 -3.32 116.57 118.71 2vva h LYS 133 Ca 0.17 -0.62 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2vva h LYS 133 Cb 0.19 0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 2vva h LYS 133 CO -0.01 1.24 0.59 0.00 -1.08 0.00 0.00 179.45 180.19 2vva h ALA 134 N 0.58 1.29 0.00 3.86 0.00 -0.34 -1.92 119.26 122.74 2vva h ALA 134 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2vva h ALA 134 Cb 1.33 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2vva h ALA 134 CO 0.15 0.64 0.00 1.33 0.00 0.00 0.00 179.25 181.37 2vva n VAL 135 N -4.38 1.09 0.90 0.00 0.24 -0.45 -1.70 118.33 114.04 2vva n VAL 135 Ca 0.11 0.27 0.10 0.00 -2.04 0.00 0.00 64.34 62.78 2vva n VAL 135 Cb 0.04 -1.08 0.30 0.00 -1.47 0.00 0.00 33.84 31.62 2vva n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vva n GLN 136 N -1.44 1.96 -4.82 7.34 6.02 -0.72 -4.67 117.38 121.06 2vva n GLN 136 Ca 0.03 -1.46 -0.28 0.00 -0.01 0.00 0.00 57.00 55.29 2vva n GLN 136 Cb 0.12 -1.41 -0.15 0.00 1.02 0.00 0.00 30.24 29.82 2vva n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2vva s GLN 137 N -1.65 1.60 0.57 -1.09 -1.52 -0.69 -5.03 119.66 111.85 2vva s GLN 137 Ca 0.33 -0.96 0.32 0.00 -1.95 0.00 0.00 55.36 53.10 2vva s GLN 137 Cb 0.18 -1.70 1.72 0.00 -0.22 0.00 0.00 33.01 32.99 2vva s GLN 137 CO 0.26 0.44 2.16 -1.00 -0.25 0.00 0.00 175.29 176.91 2vva h PRO 138 N 5.00 0.00 -0.33 2.91 0.13 -1.86 -2.24 132.00 135.61 2vva h PRO 138 Ca -0.43 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.52 2vva h PRO 138 Cb 1.15 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 2vva h PRO 138 CO 0.45 0.06 -0.13 -0.40 -0.23 0.00 0.00 178.00 177.75 2vva n ASP 139 N -3.52 2.41 0.08 1.44 5.75 -1.26 -4.11 116.55 117.34 2vva n ASP 139 Ca -0.02 -3.81 -0.11 0.00 -0.01 0.00 0.00 54.79 50.84 2vva n ASP 139 Cb 0.18 -0.63 -0.13 0.00 -1.03 0.00 0.00 41.12 39.51 2vva n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2vva h GLY 140 N 1.01 0.13 -3.18 6.12 0.00 -1.13 -3.43 103.07 102.60 2vva h GLY 140 Ca 0.21 -0.34 -0.56 0.00 0.00 0.00 0.00 47.33 46.64 2vva h GLY 140 CO 0.37 0.30 -0.79 1.08 0.00 0.00 0.00 176.54 177.50 2vva s LEU 141 N -6.89 2.45 -0.08 3.11 1.43 0.45 -0.30 118.68 118.85 2vva s LEU 141 Ca -0.01 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 2vva s LEU 141 Cb 0.09 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.40 2vva s LEU 141 CO 0.85 0.01 -0.08 0.00 0.23 0.00 0.00 176.35 177.36 2vva s ALA 142 N -2.00 1.14 -0.17 4.21 0.00 -0.08 -0.83 121.76 124.03 2vva s ALA 142 Ca 0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 2vva s ALA 142 Cb -0.06 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 2vva s ALA 142 CO 0.08 -0.17 -0.14 0.08 0.00 0.00 0.00 175.76 175.61 2vva s VAL 143 N 1.24 2.75 -0.33 0.00 1.01 -0.85 -1.24 120.40 122.98 2vva s VAL 143 Ca -0.04 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2vva s VAL 143 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 2vva s VAL 143 CO -0.03 0.50 0.50 -0.22 0.00 0.00 0.00 175.10 175.85 2vva s LEU 144 N 0.94 4.29 -0.15 3.92 2.96 -0.32 -1.20 118.68 129.13 2vva s LEU 144 Ca -0.03 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 2vva s LEU 144 Cb -0.15 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 2vva s LEU 144 CO -0.02 -0.43 -0.01 -0.83 -1.32 0.00 0.00 176.35 173.75 2vva s GLY 145 N 1.72 1.78 -0.09 7.98 0.00 -0.06 -0.99 107.32 117.66 2vva s GLY 145 Ca 0.18 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 44.10 2vva s GLY 145 CO 0.12 -0.12 -0.06 -0.42 0.00 0.00 0.00 173.10 172.62 2vva s ILE 146 N 0.17 0.83 0.45 0.90 1.01 0.20 -0.81 121.20 123.95 2vva s ILE 146 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.24 2vva s ILE 146 Cb -0.13 -0.87 -0.08 0.00 0.01 0.00 0.00 42.46 41.38 2vva s ILE 146 CO 0.02 0.33 1.06 -0.36 0.00 0.00 0.00 174.94 175.99 2vva s PHE 147 N 1.57 3.07 -0.07 3.97 0.08 -1.26 -0.50 117.98 124.83 2vva s PHE 147 Ca 0.01 1.60 0.05 0.00 0.12 0.00 0.00 56.93 58.71 2vva s PHE 147 Cb -0.13 -3.13 -0.01 0.00 -0.57 0.00 0.00 43.02 39.18 2vva s PHE 147 CO -0.05 -0.86 -0.24 -0.51 -0.10 0.00 0.00 175.22 173.46 2vva s LEU 148 N -3.14 2.06 0.29 -0.37 1.02 -0.47 -0.76 118.68 117.31 2vva s LEU 148 Ca 0.64 -0.52 0.11 0.00 0.02 0.00 0.00 54.13 54.38 2vva s LEU 148 Cb -0.20 -1.36 -0.05 0.00 0.02 0.00 0.00 46.19 44.60 2vva s LEU 148 CO 0.25 0.22 -0.12 -1.59 0.02 0.00 0.00 176.35 175.12 2vva s LYS 149 N -0.03 1.88 -0.26 1.70 -2.85 -0.12 -2.09 119.74 117.98 2vva s LYS 149 Ca -0.07 -1.69 -0.15 0.00 -1.00 0.00 0.00 55.97 53.05 2vva s LYS 149 Cb -0.15 -1.88 -0.04 0.00 -2.06 0.00 0.00 37.83 33.71 2vva s LYS 149 CO 0.05 0.31 0.37 0.08 0.10 0.00 0.00 175.35 176.26 2vva s VAL 150 N -2.47 5.18 0.00 1.79 1.01 -1.26 -0.93 120.40 123.72 2vva s VAL 150 Ca 0.31 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2vva s VAL 150 Cb -0.04 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2vva s VAL 150 CO 0.17 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2vva n GLY 151 N 4.54 1.45 3.80 4.51 0.00 0.26 -4.92 105.19 114.84 2vva n GLY 151 Ca -0.09 0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2vva n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vva s SER 152 N 2.00 5.87 0.57 1.61 1.04 -1.26 -4.06 113.70 119.47 2vva s SER 152 Ca 0.00 1.81 -0.20 0.00 0.48 0.00 0.00 55.95 58.04 2vva s SER 152 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2vva s SER 152 CO 0.00 -1.11 1.27 0.00 0.98 0.00 0.00 173.24 174.39 2vva s ALA 153 N -2.42 2.66 -0.45 5.32 0.00 -1.26 -2.62 121.76 122.99 2vva s ALA 153 Ca 0.64 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 2vva s ALA 153 Cb -0.16 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.51 2vva s ALA 153 CO 0.35 -1.26 0.36 0.21 0.00 0.00 0.00 175.76 175.43 2vva s LYS 154 N -3.11 2.97 0.24 0.00 2.47 -1.22 -4.78 119.74 116.31 2vva s LYS 154 Ca 0.75 -1.23 -0.06 0.00 -1.56 0.00 0.00 55.97 53.86 2vva s LYS 154 Cb -0.35 -4.08 0.34 0.00 -1.46 0.00 0.00 37.83 32.28 2vva s LYS 154 CO 0.40 -0.93 1.82 -1.35 0.16 0.00 0.00 175.35 175.45 2vva h PRO 155 N 8.71 0.79 0.00 4.03 0.11 -1.91 -1.66 132.00 142.06 2vva h PRO 155 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2vva h PRO 155 Cb 1.11 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2vva h PRO 155 CO 0.83 0.52 0.00 0.41 -0.21 0.00 0.00 178.00 179.55 2vva n GLY 156 N -1.31 -0.99 0.12 -0.55 0.00 -1.26 -1.62 105.19 99.57 2vva n GLY 156 Ca 0.12 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2vva n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2vva h LEU 157 N 0.00 0.00 -1.48 0.99 5.85 -1.53 -3.41 115.31 115.74 2vva h LEU 157 Ca 0.00 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2vva h LEU 157 Cb 0.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2vva h LEU 157 CO 0.00 0.02 -0.26 -0.61 -0.34 0.00 0.00 178.44 177.26 2vva h GLN 158 N 0.00 0.00 -0.55 1.25 5.75 -1.33 -1.80 115.11 118.44 2vva h GLN 158 Ca 0.00 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 2vva h GLN 158 Cb 0.94 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.45 2vva h GLN 158 CO 0.00 0.26 0.32 -0.22 -2.65 0.00 0.00 178.83 176.54 2vva h LYS 159 N 0.00 0.62 -0.13 1.69 3.64 -1.79 0.04 116.57 120.64 2vva h LYS 159 Ca -0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2vva h LYS 159 Cb 0.46 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2vva h LYS 159 CO 0.03 0.41 0.08 0.28 -2.27 0.00 0.00 179.45 177.98 2vva h VAL 160 N 0.63 1.07 -0.72 2.00 2.07 -1.64 -2.86 116.25 116.81 2vva h VAL 160 Ca 0.23 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.62 2vva h VAL 160 Cb 0.05 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 2vva h VAL 160 CO -0.11 0.07 0.40 0.58 0.02 0.00 0.00 177.57 178.53 2vva h VAL 161 N 0.13 0.95 0.00 2.57 2.07 -0.90 -2.34 116.25 118.73 2vva h VAL 161 Ca 0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2vva h VAL 161 Cb 0.04 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2vva h VAL 161 CO -0.01 0.13 0.00 0.44 0.02 0.00 0.00 177.57 178.15 2vva h ASP 162 N 0.72 0.00 0.51 0.57 3.32 -0.86 -2.70 116.42 117.98 2vva h ASP 162 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2vva h ASP 162 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2vva h ASP 162 CO -0.20 0.00 -0.70 0.55 -1.72 0.00 0.00 179.24 177.17 2vva n VAL 163 N -2.49 0.11 -0.07 -1.35 3.14 -0.89 -4.39 118.33 112.39 2vva n VAL 163 Ca 0.03 -0.11 0.05 0.00 -2.96 0.00 0.00 64.34 61.35 2vva n VAL 163 Cb 0.33 0.24 0.40 0.00 -1.06 0.00 0.00 33.84 33.74 2vva n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2vva h LEU 164 N 0.00 0.53 -2.40 6.55 3.38 -1.40 -1.38 115.31 120.60 2vva h LEU 164 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2vva h LEU 164 Cb 0.60 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2vva h LEU 164 CO 0.00 0.37 -0.02 0.44 0.09 0.00 0.00 178.44 179.32 2vva h ASP 165 N 0.62 0.00 0.72 -0.43 5.19 -1.77 -1.49 116.42 119.26 2vva h ASP 165 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 2vva h ASP 165 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2vva h ASP 165 CO -0.05 0.02 -0.19 -1.54 -3.12 0.00 0.00 179.24 174.36 2vva n SER 166 N -3.73 0.25 -2.52 6.45 3.41 -0.52 -4.05 113.62 112.91 2vva n SER 166 Ca -0.03 0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 2vva n SER 166 Cb 0.11 -0.17 0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2vva n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2vva n ILE 167 N -1.42 1.74 -0.34 -1.33 -5.35 -0.57 -4.73 119.36 107.36 2vva n ILE 167 Ca 0.08 -3.73 -0.02 0.00 -0.27 0.00 0.00 62.75 58.80 2vva n ILE 167 Cb 0.33 -0.03 0.10 0.00 -1.74 0.00 0.00 39.64 38.30 2vva n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2vva h LYS 168 N 2.61 1.16 -6.32 6.28 3.64 -1.68 -3.42 116.57 118.83 2vva h LYS 168 Ca 0.09 -0.07 -0.61 0.00 -1.27 0.00 0.00 60.65 58.80 2vva h LYS 168 Cb 1.23 -0.26 -0.13 0.00 -0.41 0.00 0.00 32.23 32.65 2vva h LYS 168 CO 0.56 0.77 -0.73 0.95 -2.27 0.00 0.00 179.45 178.73 2vva s THR 169 N -6.11 2.92 0.02 1.00 -4.23 -1.26 -0.73 115.64 107.24 2vva s THR 169 Ca -0.13 -2.03 -0.37 0.00 -1.18 0.00 0.00 61.69 57.99 2vva s THR 169 Cb 0.17 -2.50 -0.16 0.00 1.34 0.00 0.00 72.50 71.35 2vva s THR 169 CO 0.80 -0.28 1.49 1.17 -0.54 0.00 0.00 174.62 177.26 2vva n LYS 170 N -0.41 1.39 0.00 3.99 4.81 -0.16 -1.75 118.16 126.04 2vva n LYS 170 Ca -0.08 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2vva n LYS 170 Cb 0.58 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.44 2vva n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vva n GLY 171 N 3.11 1.76 3.76 3.14 0.00 0.69 -4.53 105.19 113.12 2vva n GLY 171 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2vva n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vva s LYS 172 N -0.88 4.74 0.17 1.61 1.02 -0.72 -4.89 119.74 120.79 2vva s LYS 172 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.38 2vva s LYS 172 Cb 0.00 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 2vva s LYS 172 CO 0.00 0.47 0.05 -1.54 -0.92 0.00 0.00 175.35 173.40 2vva s SER 173 N -1.29 0.79 0.01 2.83 1.04 -1.26 -1.20 113.70 114.62 2vva s SER 173 Ca 0.43 -1.23 -0.08 0.00 0.48 0.00 0.00 55.95 55.55 2vva s SER 173 Cb -0.24 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2vva s SER 173 CO 0.29 -0.67 0.14 0.00 0.98 0.00 0.00 173.24 173.98 2vva s ALA 174 N -3.85 -0.33 0.45 5.32 0.00 -0.38 -4.91 121.76 118.06 2vva s ALA 174 Ca 0.27 -0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 2vva s ALA 174 Cb 0.07 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 23.23 2vva s ALA 174 CO 0.05 -0.23 0.99 -3.47 0.00 0.00 0.00 175.76 173.11 2vva n ASP 175 N 1.33 1.16 -2.84 0.00 2.03 -1.26 -1.38 116.55 115.59 2vva n ASP 175 Ca -0.22 1.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.97 2vva n ASP 175 Cb 0.56 -1.36 0.04 0.00 -0.72 0.00 0.00 41.12 39.65 2vva n ASP 175 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2vva n PHE 176 N -0.67 -2.45 -2.89 -0.67 7.35 -0.34 -4.65 117.46 113.13 2vva n PHE 176 Ca 0.10 -2.33 -0.26 0.00 -0.76 0.00 0.00 57.45 54.21 2vva n PHE 176 Cb 0.40 1.16 -0.00 0.00 0.35 0.00 0.00 39.48 41.39 2vva n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2vva s THR 177 N -0.02 4.79 -1.63 -2.13 -4.23 -1.26 -2.78 115.64 108.38 2vva s THR 177 Ca 0.29 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 2vva s THR 177 Cb 0.26 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2vva s THR 177 CO -0.14 -0.68 0.00 0.59 -0.54 0.00 0.00 174.62 173.85 2vva n ASN 178 N -2.12 -5.50 -4.74 3.99 4.13 -1.25 -4.96 115.26 104.80 2vva n ASN 178 Ca -0.01 -0.02 -0.38 0.00 1.68 0.00 0.00 54.58 55.86 2vva n ASN 178 Cb 0.56 -4.55 -0.06 0.00 -1.54 0.00 0.00 39.78 34.19 2vva n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2vva s PHE 179 N -2.95 3.54 -0.43 3.10 5.36 -1.26 -5.02 117.98 120.32 2vva s PHE 179 Ca 0.00 0.85 -0.12 0.00 -0.96 0.00 0.00 56.93 56.70 2vva s PHE 179 Cb 0.00 -2.47 0.06 0.00 -0.34 0.00 0.00 43.02 40.27 2vva s PHE 179 CO 0.00 0.25 0.30 0.34 -1.46 0.00 0.00 175.22 174.65 2vva s ASP 180 N 0.33 5.85 0.30 6.13 -1.08 -1.26 -4.43 116.67 122.51 2vva s ASP 180 Ca 0.24 -1.30 0.24 0.00 -0.52 0.00 0.00 52.55 51.21 2vva s ASP 180 Cb -0.15 -2.07 1.06 0.00 -1.46 0.00 0.00 42.92 40.30 2vva s ASP 180 CO 0.10 -0.54 1.73 1.55 0.52 0.00 0.00 175.17 178.53 2vva h PRO 181 N 8.54 0.00 -0.01 4.34 0.13 -1.96 -2.21 132.00 140.83 2vva h PRO 181 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2vva h PRO 181 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2vva h PRO 181 CO 0.78 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.56 2vva h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.92 -1.36 114.38 115.04 2vva h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2vva h ARG 182 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2vva h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2vva n GLY 183 N -1.25 -0.91 0.64 0.04 0.00 -0.83 -2.64 105.19 100.24 2vva n GLY 183 Ca -0.03 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.99 2vva n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vva n LEU 184 N -1.22 2.31 -4.83 0.99 4.77 -0.51 -4.18 117.00 114.32 2vva n LEU 184 Ca 0.11 -0.87 -0.33 0.00 -0.03 0.00 0.00 56.01 54.89 2vva n LEU 184 Cb 0.15 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2vva n LEU 184 CO 0.15 0.41 0.56 -0.76 -1.33 0.00 0.00 177.39 176.43 2vva s LEU 185 N -2.06 3.96 0.00 2.23 1.43 -1.08 -4.93 118.68 118.23 2vva s LEU 185 Ca 0.20 1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.69 2vva s LEU 185 Cb 0.17 -4.36 0.19 0.00 0.03 0.00 0.00 46.19 42.22 2vva s LEU 185 CO 0.40 -0.32 1.08 -0.81 0.23 0.00 0.00 176.35 176.92 2vva n PRO 186 N -0.62 -1.26 -0.04 1.29 -0.04 -1.26 -5.01 135.00 128.07 2vva n PRO 186 Ca 0.06 -1.67 -0.13 0.00 -0.04 0.00 0.00 63.50 61.72 2vva n PRO 186 Cb 0.54 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.76 2vva n PRO 186 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2vva h GLU 187 N 0.00 0.20 -5.93 0.54 4.81 -1.92 -3.44 114.58 108.84 2vva h GLU 187 Ca -0.35 -0.11 -0.62 0.00 -0.13 0.00 0.00 59.36 58.15 2vva h GLU 187 Cb 0.98 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.31 2vva h GLU 187 CO 0.25 0.64 -0.30 0.45 -0.73 0.00 0.00 179.01 179.31 2vva s SER 188 N -5.95 6.64 -0.20 1.04 0.15 -1.26 -5.00 113.70 109.12 2vva s SER 188 Ca -0.15 0.76 0.15 0.00 0.70 0.00 0.00 55.95 57.41 2vva s SER 188 Cb 0.04 -2.17 0.75 0.00 -1.71 0.00 0.00 66.02 62.93 2vva s SER 188 CO 0.72 0.31 1.68 0.18 1.20 0.00 0.00 173.24 177.32 2vva n LEU 189 N 1.59 5.26 -4.71 3.45 4.77 -1.26 -4.67 117.00 121.42 2vva n LEU 189 Ca -0.14 -2.85 -0.42 0.00 -0.03 0.00 0.00 56.01 52.56 2vva n LEU 189 Cb 0.53 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2vva n LEU 189 CO 0.37 0.67 0.97 0.47 -1.33 0.00 0.00 177.39 178.54 2vva n ASP 190 N 0.53 3.01 -3.96 -1.43 8.00 -1.26 -4.90 116.55 116.53 2vva n ASP 190 Ca 0.26 1.20 -0.09 0.00 0.71 0.00 0.00 54.79 56.87 2vva n ASP 190 Cb 1.09 -1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.61 2vva n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2vva s TYR 191 N -0.97 0.41 0.07 1.24 1.13 -1.26 -1.31 117.35 116.65 2vva s TYR 191 Ca 0.56 -0.77 0.04 0.00 -1.41 0.00 0.00 57.07 55.49 2vva s TYR 191 Cb -0.55 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.19 2vva s TYR 191 CO 0.61 -0.70 0.01 -1.58 -2.51 0.00 0.00 175.55 171.38 2vva s TRP 192 N -3.97 3.04 0.01 -3.49 0.51 0.02 -0.69 118.94 114.38 2vva s TRP 192 Ca 0.17 0.01 0.01 0.00 -2.12 0.00 0.00 56.10 54.17 2vva s TRP 192 Cb 0.04 -1.58 -0.01 0.00 -0.81 0.00 0.00 33.47 31.10 2vva s TRP 192 CO -0.00 0.48 -0.04 -0.08 -0.51 0.00 0.00 176.95 176.80 2vva s THR 193 N -1.27 0.24 0.17 2.01 -1.32 0.20 -0.63 115.64 115.04 2vva s THR 193 Ca 0.25 -0.53 -0.23 0.00 -1.21 0.00 0.00 61.69 59.97 2vva s THR 193 Cb -0.12 -0.28 0.06 0.00 -1.51 0.00 0.00 72.50 70.66 2vva s THR 193 CO 0.17 -0.19 0.63 -0.72 -2.21 0.00 0.00 174.62 172.30 2vva s TYR 194 N -0.72 -0.48 -0.07 9.09 1.13 -1.03 -1.44 117.35 123.83 2vva s TYR 194 Ca -0.06 0.23 -0.23 0.00 -1.41 0.00 0.00 57.07 55.60 2vva s TYR 194 Cb -0.05 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.35 2vva s TYR 194 CO -0.00 -0.90 0.70 -1.25 -2.51 0.00 0.00 175.55 171.58 2vva s PRO 195 N -3.76 4.43 0.00 -3.49 0.04 -1.26 -1.56 135.00 129.40 2vva s PRO 195 Ca 0.03 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2vva s PRO 195 Cb -0.02 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2vva s PRO 195 CO -0.10 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.41 2vva n GLY 196 N 3.12 4.30 3.30 0.56 0.00 0.41 -4.84 105.19 112.03 2vva n GLY 196 Ca -0.01 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 2vva n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vva s SER 197 N 1.66 1.18 0.55 1.61 1.04 -1.11 -2.09 113.70 116.54 2vva s SER 197 Ca 0.00 -1.51 -0.21 0.00 0.48 0.00 0.00 55.95 54.71 2vva s SER 197 Cb 0.00 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 2vva s SER 197 CO 0.00 -0.87 1.29 -0.76 0.98 0.00 0.00 173.24 173.88 2vva s LEU 198 N -3.32 3.81 0.00 2.42 1.43 -0.36 -4.50 118.68 118.16 2vva s LEU 198 Ca 0.37 2.61 0.24 0.00 -1.03 0.00 0.00 54.13 56.32 2vva s LEU 198 Cb 0.06 -4.37 0.26 0.00 0.03 0.00 0.00 46.19 42.17 2vva s LEU 198 CO 0.17 -1.53 1.30 0.35 0.23 0.00 0.00 176.35 176.87 2vva n THR 199 N -1.15 0.07 -4.37 5.49 -2.24 -1.26 -4.44 114.28 106.38 2vva n THR 199 Ca 0.11 -0.52 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 2vva n THR 199 Cb 0.47 1.39 -0.12 0.00 -2.10 0.00 0.00 70.33 69.97 2vva n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2vva s THR 200 N -1.93 2.05 0.24 4.28 -4.23 -1.26 -4.72 115.64 110.07 2vva s THR 200 Ca 0.30 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.62 2vva s THR 200 Cb 0.20 -1.92 -0.15 0.00 1.34 0.00 0.00 72.50 71.97 2vva s THR 200 CO 0.30 -0.17 0.91 -2.65 -0.54 0.00 0.00 174.62 172.48 2vva n PRO 201 N 0.44 0.95 -0.07 3.99 -0.02 -1.26 -0.87 135.00 138.16 2vva n PRO 201 Ca -0.14 0.33 0.03 0.00 -2.02 0.00 0.00 63.50 61.71 2vva n PRO 201 Cb 0.56 -1.63 0.12 0.00 -0.02 0.00 0.00 33.50 32.53 2vva n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2vva n PRO 202 N 0.98 1.35 -2.13 0.52 -0.04 -1.26 -5.00 135.00 129.41 2vva n PRO 202 Ca 0.13 -0.54 -0.16 0.00 -0.04 0.00 0.00 63.50 62.90 2vva n PRO 202 Cb 0.28 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 2vva n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2vva n LEU 203 N -0.09 -1.60 -4.77 1.53 4.77 -0.05 -4.89 117.00 111.90 2vva n LEU 203 Ca 0.06 0.06 -0.38 0.00 -0.03 0.00 0.00 56.01 55.73 2vva n LEU 203 Cb 0.13 -2.32 -0.01 0.00 -2.33 0.00 0.00 43.42 38.90 2vva n LEU 203 CO 0.05 -0.29 0.88 -0.76 -1.33 0.00 0.00 177.39 175.93 2vva s LEU 204 N -4.31 4.09 -1.18 2.23 1.43 -1.26 -4.42 118.68 115.25 2vva s LEU 204 Ca 0.00 2.44 -0.07 0.00 -1.03 0.00 0.00 54.13 55.48 2vva s LEU 204 Cb 0.00 -4.11 0.24 0.00 0.03 0.00 0.00 46.19 42.35 2vva s LEU 204 CO 0.00 -0.91 1.69 -0.62 0.23 0.00 0.00 176.35 176.73 2vva n GLU 205 N -0.26 4.08 -0.06 1.70 1.02 -1.26 -1.23 120.64 124.62 2vva n GLU 205 Ca 0.06 -4.05 0.01 0.00 -0.02 0.00 0.00 57.16 53.16 2vva n GLU 205 Cb 0.46 -2.71 0.01 0.00 -0.02 0.00 0.00 31.44 29.18 2vva n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2vva s VAL 207 N -0.62 2.82 -0.38 0.00 1.01 -0.89 -0.41 120.40 121.93 2vva s VAL 207 Ca 0.03 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2vva s VAL 207 Cb 0.03 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2vva s VAL 207 CO 0.00 0.54 0.66 -0.89 0.00 0.00 0.00 175.10 175.41 2vva s THR 208 N 0.20 4.84 0.07 3.92 2.01 -0.01 -0.45 115.64 126.22 2vva s THR 208 Ca -0.10 0.50 -0.25 0.00 0.31 0.00 0.00 61.69 62.15 2vva s THR 208 Cb -0.16 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.16 2vva s THR 208 CO 0.06 -0.41 0.77 0.26 -0.69 0.00 0.00 174.62 174.60 2vva s TRP 209 N 2.81 3.77 -0.26 4.92 0.52 -0.60 -2.00 118.94 128.10 2vva s TRP 209 Ca 0.25 1.51 -0.00 0.00 0.02 0.00 0.00 56.10 57.88 2vva s TRP 209 Cb -0.14 -2.81 0.08 0.00 -1.15 0.00 0.00 33.47 29.45 2vva s TRP 209 CO 0.16 0.33 0.03 0.42 0.02 0.00 0.00 176.95 177.91 2vva s ILE 210 N -0.29 1.13 -0.27 2.03 1.01 -0.34 -2.46 121.20 122.00 2vva s ILE 210 Ca 0.38 -1.23 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 2vva s ILE 210 Cb -0.21 -1.65 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 2vva s ILE 210 CO 0.24 -0.37 0.06 -0.69 0.00 0.00 0.00 174.94 174.17 2vva s VAL 211 N 1.54 3.94 0.37 2.92 1.01 0.19 -0.89 120.40 129.49 2vva s VAL 211 Ca 0.02 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 2vva s VAL 211 Cb -0.18 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 2vva s VAL 211 CO -0.13 0.21 1.10 -0.76 0.00 0.00 0.00 175.10 175.51 2vva s LEU 212 N 1.52 4.26 0.11 3.92 1.43 0.01 -0.80 118.68 129.12 2vva s LEU 212 Ca 0.04 2.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 2vva s LEU 212 Cb -0.16 -3.99 -0.14 0.00 0.03 0.00 0.00 46.19 41.92 2vva s LEU 212 CO 0.02 -0.47 1.29 0.50 0.23 0.00 0.00 176.35 177.92 2vva h LYS 213 N 2.87 0.68 -5.98 1.70 3.64 -1.53 -3.42 116.57 114.53 2vva h LYS 213 Ca -0.48 -0.62 -0.58 0.00 -1.27 0.00 0.00 60.65 57.70 2vva h LYS 213 Cb 1.22 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 33.12 2vva h LYS 213 CO 0.63 1.23 0.51 -2.00 -2.27 0.00 0.00 179.45 177.55 2vva s GLU 214 N -3.56 4.28 0.68 1.90 2.12 -1.26 -5.00 118.70 117.86 2vva s GLU 214 Ca -0.09 1.12 -0.11 0.00 0.36 0.00 0.00 54.97 56.25 2vva s GLU 214 Cb 0.08 -3.60 -0.00 0.00 0.26 0.00 0.00 34.13 30.88 2vva s GLU 214 CO 0.90 -0.42 1.06 -1.25 -0.54 0.00 0.00 175.26 175.00 2vva s PRO 215 N 2.47 3.06 0.17 4.30 0.04 -1.26 -4.66 135.00 139.12 2vva s PRO 215 Ca 0.40 0.87 0.02 0.00 0.04 0.00 0.00 61.00 62.33 2vva s PRO 215 Cb -0.16 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2vva s PRO 215 CO 0.11 -0.99 0.32 0.96 0.04 0.00 0.00 177.00 177.44 2vva s ILE 216 N -3.09 5.29 -0.15 0.56 -4.36 0.06 -4.87 121.20 114.63 2vva s ILE 216 Ca 0.57 -0.61 -0.08 0.00 -0.26 0.00 0.00 60.65 60.28 2vva s ILE 216 Cb -0.13 -3.75 -0.04 0.00 1.25 0.00 0.00 42.46 39.79 2vva s ILE 216 CO 0.55 -0.13 0.12 -0.44 0.24 0.00 0.00 174.94 175.27 2vva s SER 217 N -3.26 6.16 0.25 4.36 0.01 -1.26 -0.95 113.70 119.02 2vva s SER 217 Ca 0.36 0.33 0.09 0.00 1.31 0.00 0.00 55.95 58.04 2vva s SER 217 Cb -0.11 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 2vva s SER 217 CO 0.29 0.31 -0.14 0.68 0.41 0.00 0.00 173.24 174.79 2vva s VAL 218 N -0.46 1.99 0.47 3.43 -7.23 -0.10 -3.39 120.40 115.10 2vva s VAL 218 Ca 0.12 -2.25 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 2vva s VAL 218 Cb -0.12 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 2vva s VAL 218 CO 0.02 -0.45 0.76 -0.94 -0.31 0.00 0.00 175.10 174.18 2vva s SER 219 N -3.42 6.20 0.30 4.85 1.04 -1.14 -0.58 113.70 120.96 2vva s SER 219 Ca 0.27 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.54 2vva s SER 219 Cb -0.01 -2.15 0.54 0.00 0.10 0.00 0.00 66.02 64.49 2vva s SER 219 CO 0.11 -0.58 1.91 0.77 0.98 0.00 0.00 173.24 176.43 2vva h SER 220 N 0.27 0.90 -0.72 7.02 4.64 -1.92 -1.48 113.55 122.25 2vva h SER 220 Ca -0.47 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 2vva h SER 220 Cb 1.21 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2vva h SER 220 CO 0.61 0.58 0.31 -0.33 -0.87 0.00 0.00 176.83 177.13 2vva h GLU 221 N 1.02 1.08 -0.01 4.77 3.07 -1.95 0.78 114.58 123.34 2vva h GLU 221 Ca 0.39 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2vva h GLU 221 Cb 0.20 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2vva h GLU 221 CO -0.14 0.87 0.00 1.96 -1.40 0.00 0.00 179.01 180.30 2vva h GLN 222 N 1.06 0.02 0.00 2.33 4.20 -1.67 -2.62 115.11 118.44 2vva h GLN 222 Ca 0.25 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.85 2vva h GLN 222 Cb 0.18 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2vva h GLN 222 CO -0.02 0.23 -0.50 -0.24 -0.67 0.00 0.00 178.83 177.62 2vva h VAL 223 N -0.19 1.18 -0.33 -0.54 3.04 -1.14 -2.42 116.25 115.85 2vva h VAL 223 Ca 0.00 -1.83 -0.04 0.00 -1.01 0.00 0.00 66.70 63.82 2vva h VAL 223 Cb 0.22 2.04 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 2vva h VAL 223 CO -0.00 0.49 0.03 -0.07 -1.01 0.00 0.00 177.57 177.01 2vva h LEU 224 N 0.00 0.46 -0.82 3.16 3.38 -0.71 -2.07 115.31 118.71 2vva h LEU 224 Ca -0.01 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2vva h LEU 224 Cb 1.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2vva h LEU 224 CO 0.07 0.51 -0.08 0.11 0.09 0.00 0.00 178.44 179.14 2vva h LYS 225 N 0.48 0.81 -0.96 1.13 1.57 -1.05 -2.62 116.57 115.93 2vva h LYS 225 Ca 0.11 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2vva h LYS 225 Cb 0.27 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 2vva h LYS 225 CO 0.01 0.86 0.63 0.74 -0.57 0.00 0.00 179.45 181.12 2vva h PHE 226 N 0.74 1.19 0.00 -1.35 0.04 -1.20 -2.55 116.94 113.81 2vva h PHE 226 Ca 0.13 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.93 2vva h PHE 226 Cb 0.56 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2vva h PHE 226 CO 0.03 0.73 0.00 0.54 -0.60 0.00 0.00 178.31 179.01 2vva n ARG 227 N -4.40 0.60 0.00 1.51 1.74 -0.90 -2.30 116.66 112.91 2vva n ARG 227 Ca 0.12 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 2vva n ARG 227 Cb 0.04 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.15 2vva n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2vva n LYS 228 N -1.08 0.20 -0.55 5.56 5.02 -0.96 -4.51 118.16 121.84 2vva n LYS 228 Ca 0.15 -0.14 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2vva n LYS 228 Cb 0.10 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 33.84 2vva n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vva s LEU 229 N -2.89 1.57 -0.01 -0.35 1.43 -0.97 -4.85 118.68 112.61 2vva s LEU 229 Ca 0.13 1.82 0.06 0.00 -1.03 0.00 0.00 54.13 55.10 2vva s LEU 229 Cb 0.17 -3.88 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 2vva s LEU 229 CO 0.70 -3.88 -0.20 0.20 0.23 0.00 0.00 176.35 173.41 2vva s ASN 230 N -2.50 2.30 0.19 2.29 0.02 0.09 -0.34 114.94 116.98 2vva s ASN 230 Ca 0.68 -0.36 -0.04 0.00 -1.02 0.00 0.00 52.86 52.11 2vva s ASN 230 Cb -0.25 -0.25 0.11 0.00 0.02 0.00 0.00 41.25 40.88 2vva s ASN 230 CO 0.62 0.23 1.52 -0.26 0.02 0.00 0.00 177.10 179.24 2vva h PHE 231 N 5.60 0.78 -4.30 2.20 0.04 -1.20 -3.36 116.94 116.69 2vva h PHE 231 Ca -0.39 -0.25 -0.51 0.00 2.80 0.00 0.00 57.97 59.62 2vva h PHE 231 Cb 1.14 -0.16 0.11 0.00 2.20 0.00 0.00 35.95 39.25 2vva h PHE 231 CO 0.40 0.99 0.34 0.54 -0.60 0.00 0.00 178.31 179.98 2vva s ASN 232 N -6.89 4.83 0.79 2.17 4.22 -1.26 -4.37 114.94 114.43 2vva s ASN 232 Ca -0.08 1.62 -0.12 0.00 -2.14 0.00 0.00 52.86 52.15 2vva s ASN 232 Cb 0.12 -2.41 0.06 0.00 1.28 0.00 0.00 41.25 40.30 2vva s ASN 232 CO 0.84 -1.80 1.11 -0.83 -2.04 0.00 0.00 177.10 174.39 2vva s GLY 233 N -3.66 1.62 0.13 0.45 0.00 -1.26 -0.99 107.32 103.61 2vva s GLY 233 Ca 0.60 -0.31 -0.35 0.00 0.00 0.00 0.00 44.72 44.65 2vva s GLY 233 CO 0.55 0.12 1.35 -2.21 0.00 0.00 0.00 173.10 172.91 2vva n GLU 234 N -3.35 1.41 -0.54 2.90 2.13 -1.26 -1.95 120.64 119.98 2vva n GLU 234 Ca 0.07 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.40 2vva n GLU 234 Cb 0.57 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2vva n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vva n GLY 235 N 2.56 1.76 3.92 8.31 0.00 -1.26 -5.01 105.19 115.46 2vva n GLY 235 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2vva n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vva s GLU 236 N -0.04 2.82 0.23 1.61 2.02 -0.82 -4.98 118.70 119.53 2vva s GLU 236 Ca 0.00 0.01 -0.32 0.00 0.02 0.00 0.00 54.97 54.68 2vva s GLU 236 Cb 0.00 -2.23 -0.13 0.00 0.10 0.00 0.00 34.13 31.87 2vva s GLU 236 CO 0.00 -0.80 1.54 -2.30 0.02 0.00 0.00 175.26 173.71 2vva n PRO 237 N -2.67 2.33 -2.18 0.39 -0.02 -1.26 -4.83 135.00 126.76 2vva n PRO 237 Ca 0.05 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 2vva n PRO 237 Cb 0.58 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 2vva n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2vva s GLU 238 N 0.06 4.24 -0.29 -0.52 2.12 -1.26 -4.78 118.70 118.28 2vva s GLU 238 Ca 0.70 2.00 0.02 0.00 0.36 0.00 0.00 54.97 58.05 2vva s GLU 238 Cb -0.60 -3.71 0.08 0.00 0.26 0.00 0.00 34.13 30.16 2vva s GLU 238 CO 0.44 -0.68 0.01 -1.21 -0.54 0.00 0.00 175.26 173.29 2vva s GLU 239 N 3.01 1.43 0.29 4.30 2.02 -1.26 -5.06 118.70 123.43 2vva s GLU 239 Ca 0.66 -1.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.01 2vva s GLU 239 Cb -0.31 -2.69 -0.12 0.00 0.10 0.00 0.00 34.13 31.10 2vva s GLU 239 CO 0.26 -0.79 1.44 1.28 0.02 0.00 0.00 175.26 177.46 2vva n LEU 240 N 4.55 3.71 -4.55 1.80 4.77 -1.26 -0.78 117.00 125.23 2vva n LEU 240 Ca -0.05 1.17 -0.41 0.00 -0.03 0.00 0.00 56.01 56.69 2vva n LEU 240 Cb 0.43 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.98 2vva n LEU 240 CO 0.18 -0.25 1.45 -0.32 -1.33 0.00 0.00 177.39 177.11 2vva s MET 241 N -0.95 3.60 0.04 3.23 -2.45 0.54 -4.57 119.30 118.74 2vva s MET 241 Ca 0.62 -1.19 -0.02 0.00 -1.25 0.00 0.00 55.69 53.86 2vva s MET 241 Cb -0.57 -5.33 -0.03 0.00 1.25 0.00 0.00 34.83 30.15 2vva s MET 241 CO 0.54 -2.17 -0.00 0.14 1.05 0.00 0.00 175.02 174.57 2vva s VAL 242 N 4.78 0.18 -1.38 10.11 -7.23 -1.26 -4.51 120.40 121.08 2vva s VAL 242 Ca 0.45 -1.45 -0.08 0.00 -1.81 0.00 0.00 61.98 59.09 2vva s VAL 242 Cb -0.00 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.86 2vva s VAL 242 CO -0.10 -0.80 1.08 0.47 -0.31 0.00 0.00 175.10 175.44 2vva n ASP 243 N 0.57 -5.03 -2.26 4.85 8.00 -0.17 -4.83 116.55 117.69 2vva n ASP 243 Ca -0.17 -0.63 -0.22 0.00 0.71 0.00 0.00 54.79 54.47 2vva n ASP 243 Cb 0.59 -4.70 -0.04 0.00 -0.02 0.00 0.00 41.12 36.95 2vva n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2vva n ASN 244 N -2.99 6.37 -4.23 -2.24 6.94 -1.02 -4.88 115.26 113.21 2vva n ASN 244 Ca -0.05 -3.10 -0.27 0.00 -0.02 0.00 0.00 54.58 51.14 2vva n ASN 244 Cb 0.58 -1.19 -0.15 0.00 -2.36 0.00 0.00 39.78 36.65 2vva n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2vva s TRP 245 N -1.53 1.84 0.07 -2.53 1.48 -1.26 -4.55 118.94 112.45 2vva s TRP 245 Ca 0.50 -0.36 -0.21 0.00 -1.06 0.00 0.00 56.10 54.97 2vva s TRP 245 Cb 0.33 -1.16 -0.06 0.00 -1.16 0.00 0.00 33.47 31.42 2vva s TRP 245 CO -0.14 0.01 0.63 0.50 -4.06 0.00 0.00 176.95 173.90 2vva s ARG 246 N -0.70 4.33 0.85 3.25 3.52 -1.26 -4.95 118.95 123.99 2vva s ARG 246 Ca 0.08 0.85 -0.12 0.00 -0.13 0.00 0.00 55.73 56.41 2vva s ARG 246 Cb -0.08 -3.28 0.10 0.00 -1.56 0.00 0.00 34.95 30.13 2vva s ARG 246 CO 0.00 0.52 1.10 -2.14 -0.81 0.00 0.00 175.30 173.97 2vva s PRO 247 N -0.77 1.64 0.32 5.12 0.02 -1.26 -4.59 135.00 135.49 2vva s PRO 247 Ca 0.32 0.62 -0.29 0.00 0.02 0.00 0.00 61.00 61.67 2vva s PRO 247 Cb -0.20 -1.87 -0.12 0.00 0.02 0.00 0.00 34.50 32.33 2vva s PRO 247 CO 0.20 -1.93 1.45 0.00 -0.33 0.00 0.00 177.00 176.40 2vva n ALA 248 N -3.64 1.93 -2.64 -1.55 0.00 -1.26 -4.29 120.51 109.06 2vva n ALA 248 Ca 0.07 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 2vva n ALA 248 Cb 0.57 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 2vva n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vva s GLN 249 N -1.33 2.54 0.31 0.00 -1.52 0.42 -4.95 119.66 115.14 2vva s GLN 249 Ca 0.59 -1.34 -0.29 0.00 -1.95 0.00 0.00 55.36 52.37 2vva s GLN 249 Cb -0.53 -2.31 -0.11 0.00 -0.22 0.00 0.00 33.01 29.83 2vva s GLN 249 CO 0.57 0.28 1.55 -2.14 -0.25 0.00 0.00 175.29 175.30 2vva s PRO 250 N -3.80 4.13 0.28 2.91 0.02 -1.26 -4.59 135.00 132.68 2vva s PRO 250 Ca 0.35 2.56 0.09 0.00 0.02 0.00 0.00 61.00 64.01 2vva s PRO 250 Cb -0.06 -3.01 0.38 0.00 0.02 0.00 0.00 34.50 31.83 2vva s PRO 250 CO 0.23 -0.59 1.63 1.25 -0.33 0.00 0.00 177.00 179.19 2vva h LEU 251 N 4.32 0.08 0.00 -5.54 5.85 -1.95 -3.43 115.31 114.64 2vva h LEU 251 Ca -0.48 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2vva h LEU 251 Cb 1.23 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2vva h LEU 251 CO 0.75 0.63 0.00 0.29 -0.34 0.00 0.00 178.44 179.77 2vva n LYS 252 N -3.87 0.00 -0.01 1.25 4.76 -1.26 -2.56 118.16 116.46 2vva n LYS 252 Ca -0.02 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.46 2vva n LYS 252 Cb 0.58 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 33.98 2vva n LYS 252 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2vva n ASN 253 N 2.17 0.14 -4.92 4.39 0.23 -1.26 -4.93 115.26 111.07 2vva n ASN 253 Ca 0.00 -1.79 -0.26 0.00 -0.53 0.00 0.00 54.58 52.00 2vva n ASN 253 Cb 0.00 -0.01 -0.01 0.00 -2.08 0.00 0.00 39.78 37.68 2vva n ASN 253 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2vva s ARG 254 N -1.97 3.54 -0.08 -3.83 0.52 -1.06 -5.05 118.95 111.01 2vva s ARG 254 Ca 0.12 -0.02 0.04 0.00 -0.52 0.00 0.00 55.73 55.35 2vva s ARG 254 Cb 0.06 -2.52 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 2vva s ARG 254 CO 0.09 -0.01 -0.23 -0.65 0.02 0.00 0.00 175.30 174.53 2vva s GLN 255 N -4.38 2.86 -0.19 3.54 -1.52 -1.26 -5.05 119.66 113.66 2vva s GLN 255 Ca 0.44 -0.86 -0.10 0.00 -1.95 0.00 0.00 55.36 52.89 2vva s GLN 255 Cb -0.10 -2.29 -0.05 0.00 -0.22 0.00 0.00 33.01 30.35 2vva s GLN 255 CO 0.39 0.29 0.15 0.42 -0.25 0.00 0.00 175.29 176.29 2vva s ILE 256 N 0.08 5.40 -0.02 1.08 1.01 -1.26 -4.63 121.20 122.86 2vva s ILE 256 Ca -0.10 0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.81 2vva s ILE 256 Cb -0.16 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2vva s ILE 256 CO 0.06 0.43 -0.08 -0.54 0.00 0.00 0.00 174.94 174.81 2vva s LYS 257 N 0.37 2.57 -0.02 2.79 -0.14 -0.52 -2.83 119.74 121.96 2vva s LYS 257 Ca 0.09 -0.68 -0.01 0.00 -1.36 0.00 0.00 55.97 54.01 2vva s LYS 257 Cb -0.11 -2.49 -0.04 0.00 -1.68 0.00 0.00 37.83 33.51 2vva s LYS 257 CO -0.01 0.62 0.08 0.00 -0.76 0.00 0.00 175.35 175.27 2vva s ALA 258 N -0.90 3.58 -1.41 5.17 0.00 0.13 -0.63 121.76 127.70 2vva s ALA 258 Ca 0.15 -0.85 0.27 0.00 0.00 0.00 0.00 51.96 51.53 2vva s ALA 258 Cb -0.11 -1.60 0.86 0.00 0.00 0.00 0.00 23.12 22.27 2vva s ALA 258 CO 0.05 0.68 1.64 -1.13 0.00 0.00 0.00 175.76 176.99 2vva n SER 259 N 1.33 0.60 -4.27 0.00 3.41 0.13 -1.09 113.62 113.74 2vva n SER 259 Ca -0.14 -0.45 -0.22 0.00 -0.26 0.00 0.00 58.87 57.79 2vva n SER 259 Cb 0.53 0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.40 2vva n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2vva s PHE 260 N -2.70 1.68 -2.21 7.33 -0.71 -1.26 -4.88 117.98 115.22 2vva s PHE 260 Ca 0.20 -0.44 0.30 0.00 -1.04 0.00 0.00 56.93 55.95 2vva s PHE 260 Cb 0.19 -0.90 1.55 0.00 -1.21 0.00 0.00 43.02 42.64 2vva s PHE 260 CO 0.56 0.20 2.03 1.63 -1.34 0.00 0.00 175.22 178.30