#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bud s GLN 5 N 0.00 4.39 0.18 -4.13 2.00 -1.26 -4.96 119.66 115.89 1bud s GLN 5 Ca 0.00 2.14 0.09 0.00 -2.00 0.00 0.00 55.36 55.59 1bud s GLN 5 Cb 0.00 -3.12 -0.04 0.00 0.80 0.00 0.00 33.01 30.65 1bud s GLN 5 CO 0.00 -0.18 -0.19 1.03 -0.50 0.00 0.00 175.29 175.45 1bud s ARG 6 N -1.21 1.36 -0.09 1.67 1.81 -0.77 -4.97 118.95 116.75 1bud s ARG 6 Ca 0.51 -1.48 0.02 0.00 -1.72 0.00 0.00 55.73 53.06 1bud s ARG 6 Cb -0.38 -1.43 0.01 0.00 -0.45 0.00 0.00 34.95 32.70 1bud s ARG 6 CO 0.47 0.29 -0.14 0.71 -0.68 0.00 0.00 175.30 175.95 1bud s TYR 7 N -2.12 1.77 -0.27 -0.53 1.51 -0.11 -0.89 117.35 116.71 1bud s TYR 7 Ca 0.18 -0.75 -0.02 0.00 -1.01 0.00 0.00 57.07 55.47 1bud s TYR 7 Cb -0.05 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1bud s TYR 7 CO 0.08 -0.39 -0.03 1.41 -1.11 0.00 0.00 175.55 175.51 1bud s MET 8 N 0.84 2.77 -0.38 -0.62 1.75 0.62 -4.35 119.30 119.92 1bud s MET 8 Ca -0.10 -1.03 -0.23 0.00 -1.25 0.00 0.00 55.69 53.08 1bud s MET 8 Cb -0.15 -3.08 0.01 0.00 2.84 0.00 0.00 34.83 34.45 1bud s MET 8 CO 0.01 -0.46 0.75 -1.21 -0.65 0.00 0.00 175.02 173.46 1bud s GLU 9 N 1.33 3.67 0.16 4.11 2.02 -1.26 -1.00 118.70 127.73 1bud s GLU 9 Ca -0.01 0.18 0.10 0.00 0.02 0.00 0.00 54.97 55.26 1bud s GLU 9 Cb -0.17 -3.83 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 1bud s GLU 9 CO -0.03 -0.87 -0.19 0.96 0.02 0.00 0.00 175.26 175.15 1bud s ILE 10 N 3.04 2.69 -0.10 -1.63 -4.36 0.41 0.02 121.20 121.28 1bud s ILE 10 Ca 0.29 -1.74 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1bud s ILE 10 Cb -0.13 -2.27 0.01 0.00 1.25 0.00 0.00 42.46 41.32 1bud s ILE 10 CO 0.17 -0.01 -0.15 -0.69 0.24 0.00 0.00 174.94 174.50 1bud s VAL 11 N -1.42 1.46 -0.14 8.37 1.01 -0.97 0.12 120.40 128.83 1bud s VAL 11 Ca 0.20 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1bud s VAL 11 Cb -0.09 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1bud s VAL 11 CO 0.11 0.43 0.12 -0.63 0.00 0.00 0.00 175.10 175.12 1bud s ILE 12 N 0.84 5.30 -0.19 2.22 -1.09 -0.82 -2.01 121.20 125.46 1bud s ILE 12 Ca -0.10 0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.47 1bud s ILE 12 Cb -0.15 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1bud s ILE 12 CO 0.01 0.56 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.41 1bud s VAL 13 N -0.57 2.18 -0.22 2.92 1.01 0.12 -1.02 120.40 124.82 1bud s VAL 13 Ca 0.12 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1bud s VAL 13 Cb -0.12 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1bud s VAL 13 CO 0.02 0.49 0.22 -0.69 0.00 0.00 0.00 175.10 175.14 1bud s VAL 14 N 1.29 5.32 0.84 2.92 1.01 0.05 -0.12 120.40 131.72 1bud s VAL 14 Ca 0.04 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1bud s VAL 14 Cb -0.14 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.83 1bud s VAL 14 CO -0.12 0.33 1.17 1.51 0.00 0.00 0.00 175.10 177.99 1bud s ASP 15 N 0.97 3.87 0.25 3.32 -4.77 -0.83 -1.42 116.67 118.07 1bud s ASP 15 Ca 0.11 0.18 -0.04 0.00 -3.30 0.00 0.00 52.55 49.49 1bud s ASP 15 Cb -0.14 -0.46 0.30 0.00 -1.09 0.00 0.00 42.92 41.54 1bud s ASP 15 CO 0.05 -2.22 1.83 -0.74 0.70 0.00 0.00 175.17 174.78 1bud h HIS 16 N -1.10 1.04 -0.33 2.11 -0.00 -1.89 -2.41 115.15 112.57 1bud h HIS 16 Ca -0.42 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 59.87 1bud h HIS 16 Cb 1.27 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 28.34 1bud h HIS 16 CO -0.51 0.80 0.20 0.66 -0.00 0.00 0.00 177.93 179.08 1bud h SER 17 N 1.01 0.39 -0.37 3.26 4.64 -1.94 -0.55 113.55 119.98 1bud h SER 17 Ca 0.23 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1bud h SER 17 Cb 0.20 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1bud h SER 17 CO -0.02 0.30 0.10 0.24 -0.87 0.00 0.00 176.83 176.58 1bud h MET 18 N 0.45 0.59 -0.53 4.77 2.86 -1.77 -0.89 114.93 120.41 1bud h MET 18 Ca 0.12 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1bud h MET 18 Cb -0.02 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1bud h MET 18 CO -0.02 0.62 0.20 0.28 1.06 0.00 0.00 176.91 179.04 1bud h VAL 19 N 0.45 1.20 -0.05 -2.22 2.07 -0.81 -2.11 116.25 114.78 1bud h VAL 19 Ca 0.12 -0.64 -0.16 0.00 0.82 0.00 0.00 66.70 66.83 1bud h VAL 19 Cb 0.29 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1bud h VAL 19 CO -0.00 0.25 -0.69 0.11 0.02 0.00 0.00 177.57 177.25 1bud h LYS 20 N 0.76 0.24 -0.40 1.57 1.57 -0.89 0.35 116.57 119.77 1bud h LYS 20 Ca 0.18 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1bud h LYS 20 Cb 0.17 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1bud h LYS 20 CO -0.01 0.84 -0.00 -0.22 -0.57 0.00 0.00 179.45 179.48 1bud h LYS 21 N 0.17 0.63 -0.63 3.15 3.64 -0.56 -2.17 116.57 120.80 1bud h LYS 21 Ca -0.02 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1bud h LYS 21 Cb 1.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1bud h LYS 21 CO 0.11 0.66 0.00 0.66 -2.27 0.00 0.00 179.45 178.60 1bud n TYR 22 N -4.25 1.80 -3.89 1.91 4.02 -0.85 -4.93 117.16 110.98 1bud n TYR 22 Ca 0.02 -0.63 -0.28 0.00 -0.01 0.00 0.00 57.90 57.00 1bud n TYR 22 Cb 0.27 -0.44 0.02 0.00 -0.02 0.00 0.00 39.34 39.17 1bud n TYR 22 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1bud n ASN 23 N 0.61 -3.65 -0.01 7.72 4.13 -0.82 -1.49 115.26 121.75 1bud n ASN 23 Ca 0.25 -0.82 -0.00 0.00 1.68 0.00 0.00 54.58 55.69 1bud n ASN 23 Cb 1.06 -3.81 -0.00 0.00 -1.54 0.00 0.00 39.78 35.49 1bud n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bud n GLY 24 N -1.67 0.18 3.55 7.41 0.00 0.12 -4.93 105.19 109.85 1bud n GLY 24 Ca -0.05 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1bud n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bud s ASP 25 N -2.01 6.31 0.33 1.61 -1.08 -0.56 -4.87 116.67 116.40 1bud s ASP 25 Ca 0.00 -0.92 0.02 0.00 -0.52 0.00 0.00 52.55 51.13 1bud s ASP 25 Cb 0.00 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.48 1bud s ASP 25 CO 0.00 -1.66 1.95 0.28 0.52 0.00 0.00 175.17 176.25 1bud h SER 26 N 9.88 0.71 0.72 -0.34 0.02 -1.91 -2.17 113.55 120.45 1bud h SER 26 Ca -0.08 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.64 1bud h SER 26 Cb 1.03 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1bud h SER 26 CO 1.33 0.59 -0.79 0.44 -1.14 0.00 0.00 176.83 177.26 1bud h ASP 27 N 0.80 0.06 -0.48 3.07 3.32 -1.99 -2.28 116.42 118.92 1bud h ASP 27 Ca 0.20 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 1bud h ASP 27 Cb 0.05 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1bud h ASP 27 CO -0.03 0.82 -0.23 -1.28 -1.72 0.00 0.00 179.24 176.81 1bud h SER 28 N 0.03 1.03 -0.65 6.45 0.87 -1.85 -1.83 113.55 117.60 1bud h SER 28 Ca -0.01 -0.40 -0.09 0.00 -1.23 0.00 0.00 61.79 60.06 1bud h SER 28 Cb 1.39 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1bud h SER 28 CO 0.11 1.20 0.05 0.40 -0.53 0.00 0.00 176.83 178.06 1bud h ILE 29 N 0.86 1.27 -0.56 2.23 2.04 -1.37 -2.41 117.51 119.56 1bud h ILE 29 Ca 0.11 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 1bud h ILE 29 Cb 0.81 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1bud h ILE 29 CO 0.07 0.41 0.04 0.11 0.00 0.00 0.00 178.15 178.77 1bud h LYS 30 N 1.02 0.93 -0.63 2.37 1.57 -1.16 -2.15 116.57 118.53 1bud h LYS 30 Ca 0.19 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1bud h LYS 30 Cb 0.51 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1bud h LYS 30 CO 0.02 0.90 0.10 0.00 -0.57 0.00 0.00 179.45 179.90 1bud h ALA 31 N 1.16 0.99 -0.09 3.86 0.00 -1.18 -0.52 119.26 123.48 1bud h ALA 31 Ca 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bud h ALA 31 Cb 0.46 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bud h ALA 31 CO 0.02 0.64 0.04 2.35 0.00 0.00 0.00 179.25 182.30 1bud h TRP 32 N 0.96 0.14 -0.33 0.00 2.91 -1.17 -2.43 115.95 116.02 1bud h TRP 32 Ca 0.19 -0.01 -0.16 0.00 1.13 0.00 0.00 58.89 60.05 1bud h TRP 32 Cb 0.42 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 1bud h TRP 32 CO 0.03 0.23 -0.41 0.28 -1.03 0.00 0.00 178.44 177.53 1bud h VAL 33 N 0.01 1.28 -0.82 2.65 2.07 -1.32 -2.96 116.25 117.16 1bud h VAL 33 Ca 0.03 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 1bud h VAL 33 Cb 0.14 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1bud h VAL 33 CO -0.00 0.52 0.50 1.88 0.02 0.00 0.00 177.57 180.49 1bud h TYR 34 N 0.67 1.08 -0.48 1.57 0.05 -1.05 -1.54 116.97 117.27 1bud h TYR 34 Ca 0.05 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 1bud h TYR 34 Cb 0.98 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 1bud h TYR 34 CO 0.06 0.72 -0.02 1.49 -1.05 0.00 0.00 178.16 179.35 1bud h GLU 35 N 1.12 0.80 -0.57 4.88 4.57 -1.39 -0.88 114.58 123.12 1bud h GLU 35 Ca 0.30 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1bud h GLU 35 Cb -0.05 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1bud h GLU 35 CO -0.06 0.82 0.15 0.52 -1.18 0.00 0.00 179.01 179.27 1bud h MET 36 N 0.75 0.90 -0.64 1.92 2.86 -1.27 -1.91 114.93 117.53 1bud h MET 36 Ca 0.14 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1bud h MET 36 Cb 0.48 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1bud h MET 36 CO 0.02 0.83 0.17 0.82 1.06 0.00 0.00 176.91 179.81 1bud h ILE 37 N 0.81 1.25 -0.90 -1.22 1.08 -0.88 -1.18 117.51 116.48 1bud h ILE 37 Ca 0.18 -0.91 0.05 0.00 -0.39 0.00 0.00 64.86 63.78 1bud h ILE 37 Cb 0.32 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 34.64 1bud h ILE 37 CO -0.00 0.35 0.57 -1.13 -0.69 0.00 0.00 178.15 177.25 1bud h ASN 38 N 0.95 0.93 0.37 1.72 -1.24 -0.73 0.13 115.58 117.71 1bud h ASN 38 Ca 0.20 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.20 1bud h ASN 38 Cb 0.34 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1bud h ASN 38 CO 0.00 0.62 -0.18 0.74 -1.29 0.00 0.00 177.43 177.32 1bud h THR 39 N 1.08 0.59 -0.02 -3.57 2.02 -0.88 -3.20 112.91 108.93 1bud h THR 39 Ca 0.37 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1bud h THR 39 Cb 0.08 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1bud h THR 39 CO -0.14 0.09 -0.17 0.16 0.37 0.00 0.00 175.52 175.82 1bud h ILE 40 N -0.79 1.14 -0.77 3.11 3.07 -1.00 -2.27 117.51 120.00 1bud h ILE 40 Ca -0.05 -0.64 0.05 0.00 1.55 0.00 0.00 64.86 65.77 1bud h ILE 40 Cb 0.53 1.31 -0.05 0.00 -0.27 0.00 0.00 36.82 38.33 1bud h ILE 40 CO 0.08 0.18 0.47 0.74 -1.05 0.00 0.00 178.15 178.58 1bud h THR 41 N 0.03 1.04 -0.17 0.16 2.02 -0.99 -0.52 112.91 114.49 1bud h THR 41 Ca 0.01 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1bud h THR 41 Cb 0.32 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1bud h THR 41 CO 0.02 0.16 0.03 -0.08 0.37 0.00 0.00 175.52 176.02 1bud h GLU 42 N 0.87 0.28 -0.70 6.66 4.81 -1.41 -1.25 114.58 123.85 1bud h GLU 42 Ca 0.33 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1bud h GLU 42 Cb 0.12 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1bud h GLU 42 CO -0.15 0.44 0.41 0.77 -0.73 0.00 0.00 179.01 179.75 1bud h SER 43 N 0.07 0.63 1.14 1.04 0.02 -1.23 -2.27 113.55 112.96 1bud h SER 43 Ca 0.05 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1bud h SER 43 Cb 0.30 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1bud h SER 43 CO 0.00 0.42 -0.53 1.88 -1.14 0.00 0.00 176.83 177.46 1bud h TYR 44 N 0.77 0.00 -0.32 3.45 0.05 -1.07 -3.14 116.97 116.71 1bud h TYR 44 Ca 0.30 0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.12 1bud h TYR 44 Cb 0.14 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1bud h TYR 44 CO -0.06 0.53 0.22 0.66 -1.05 0.00 0.00 178.16 178.46 1bud h SER 45 N 0.00 0.26 0.21 3.88 4.64 -0.60 -0.45 113.55 121.48 1bud h SER 45 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1bud h SER 45 Cb 1.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1bud h SER 45 CO 0.07 0.18 0.00 -1.22 -0.87 0.00 0.00 176.83 174.99 1bud n TYR 46 N -4.49 0.00 0.14 4.77 4.01 -1.18 -1.17 117.16 119.23 1bud n TYR 46 Ca 0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.82 1bud n TYR 46 Cb 0.17 -0.17 0.08 0.00 -0.31 0.00 0.00 39.34 39.12 1bud n TYR 46 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1bud n LEU 47 N -1.17 2.29 -2.56 7.72 4.32 -0.22 -4.98 117.00 122.40 1bud n LEU 47 Ca 0.12 -1.48 -0.17 0.00 -0.02 0.00 0.00 56.01 54.45 1bud n LEU 47 Cb 0.12 -0.10 0.04 0.00 -1.62 0.00 0.00 43.42 41.87 1bud n LEU 47 CO 0.13 0.52 0.10 0.29 -1.22 0.00 0.00 177.39 177.21 1bud n LYS 48 N 0.47 -4.88 -4.03 3.23 4.01 -0.32 -4.95 118.16 111.69 1bud n LYS 48 Ca 0.08 0.64 -0.28 0.00 -0.51 0.00 0.00 58.31 58.24 1bud n LYS 48 Cb 0.32 -5.03 -0.17 0.00 -0.51 0.00 0.00 35.03 29.64 1bud n LYS 48 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1bud s ILE 49 N -3.13 1.25 -0.11 -0.18 1.01 -0.98 -1.85 121.20 117.20 1bud s ILE 49 Ca 0.34 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.35 1bud s ILE 49 Cb -0.15 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1bud s ILE 49 CO 0.42 0.40 0.55 -0.62 0.00 0.00 0.00 174.94 175.69 1bud s ASP 50 N 1.51 6.76 -0.19 3.58 2.15 -0.07 -3.26 116.67 127.16 1bud s ASP 50 Ca 0.03 0.91 -0.12 0.00 0.43 0.00 0.00 52.55 53.79 1bud s ASP 50 Cb -0.13 -2.32 -0.05 0.00 -0.30 0.00 0.00 42.92 40.12 1bud s ASP 50 CO -0.08 -0.05 0.24 -0.63 -0.17 0.00 0.00 175.17 174.48 1bud s ILE 51 N 0.77 5.33 -0.18 4.11 -1.09 -1.26 -0.28 121.20 128.61 1bud s ILE 51 Ca 0.29 0.41 0.01 0.00 -2.23 0.00 0.00 60.65 59.13 1bud s ILE 51 Cb -0.16 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1bud s ILE 51 CO 0.12 0.38 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.60 1bud s SER 52 N 0.57 3.15 -0.64 3.58 0.01 -0.17 -4.96 113.70 115.25 1bud s SER 52 Ca 0.13 -0.68 -0.27 0.00 1.31 0.00 0.00 55.95 56.43 1bud s SER 52 Cb -0.13 -1.41 0.01 0.00 0.21 0.00 0.00 66.02 64.70 1bud s SER 52 CO 0.03 -0.03 1.44 -0.22 0.41 0.00 0.00 173.24 174.87 1bud s LEU 53 N 1.32 3.29 0.12 2.44 0.20 -1.26 -0.44 118.68 124.35 1bud s LEU 53 Ca 0.04 0.02 -0.07 0.00 0.69 0.00 0.00 54.13 54.81 1bud s LEU 53 Cb -0.14 -2.78 -0.11 0.00 -0.43 0.00 0.00 46.19 42.73 1bud s LEU 53 CO -0.12 -1.87 1.30 0.28 -0.29 0.00 0.00 176.35 175.65 1bud h SER 54 N 11.37 0.66 -4.72 3.68 0.02 -0.65 -3.47 113.55 120.44 1bud h SER 54 Ca -0.27 -0.50 0.12 0.00 -0.84 0.00 0.00 61.79 60.30 1bud h SER 54 Cb 1.09 -0.20 -0.15 0.00 0.14 0.00 0.00 62.40 63.28 1bud h SER 54 CO 1.22 1.29 0.50 -0.83 -1.14 0.00 0.00 176.83 177.88 1bud s GLY 55 N -4.34 -0.44 -0.21 -3.77 0.00 -1.18 -5.01 107.32 92.38 1bud s GLY 55 Ca -0.07 0.93 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 1bud s GLY 55 CO 0.88 0.30 0.05 -2.27 0.00 0.00 0.00 173.10 172.06 1bud s LEU 56 N -2.53 1.19 -0.23 0.66 2.96 -1.26 -1.94 118.68 117.54 1bud s LEU 56 Ca 0.06 -0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 52.98 1bud s LEU 56 Cb -0.01 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 1bud s LEU 56 CO -0.08 -0.32 0.11 -0.70 -1.32 0.00 0.00 176.35 174.04 1bud s GLU 57 N 1.87 3.94 -0.19 1.98 2.12 -0.19 -4.99 118.70 123.24 1bud s GLU 57 Ca 0.01 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 1bud s GLU 57 Cb -0.17 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 1bud s GLU 57 CO -0.11 0.06 -0.06 0.42 -0.54 0.00 0.00 175.26 175.03 1bud s ILE 58 N 1.00 3.34 -1.35 -3.70 1.01 -1.26 -0.77 121.20 119.48 1bud s ILE 58 Ca 0.06 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1bud s ILE 58 Cb -0.14 -2.49 0.12 0.00 0.01 0.00 0.00 42.46 39.97 1bud s ILE 58 CO 0.04 0.46 2.01 0.79 0.00 0.00 0.00 174.94 178.23 1bud n TRP 59 N 4.34 3.15 -0.13 3.97 8.01 -0.50 -4.78 117.44 131.50 1bud n TRP 59 Ca -0.18 -2.85 -0.10 0.00 -1.31 0.00 0.00 57.50 53.05 1bud n TRP 59 Cb 0.51 -2.17 -0.02 0.00 -2.01 0.00 0.00 31.31 27.63 1bud n TRP 59 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1bud h SER 60 N 5.83 0.64 0.23 -0.99 0.02 -1.90 -3.29 113.55 114.08 1bud h SER 60 Ca 0.46 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1bud h SER 60 Cb 0.63 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1bud h SER 60 CO 1.72 0.77 -0.11 1.23 -1.14 0.00 0.00 176.83 179.31 1bud h GLY 61 N 0.49 -0.32 -2.68 -3.77 0.00 -2.01 -3.49 103.07 91.28 1bud h GLY 61 Ca 0.11 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1bud h GLY 61 CO 0.02 -0.12 0.12 -1.59 0.00 0.00 0.00 176.54 174.97 1bud s LYS 62 N -2.78 1.39 0.46 4.80 -2.85 -1.26 -5.09 119.74 114.42 1bud s LYS 62 Ca -0.04 -0.74 -0.23 0.00 -1.00 0.00 0.00 55.97 53.96 1bud s LYS 62 Cb 0.00 0.56 -0.07 0.00 -2.06 0.00 0.00 37.83 36.26 1bud s LYS 62 CO 0.13 -0.60 1.20 -0.51 0.10 0.00 0.00 175.35 175.67 1bud s ASP 63 N -2.83 6.11 0.00 0.03 1.01 -1.26 -4.82 116.67 114.91 1bud s ASP 63 Ca 0.06 2.39 0.25 0.00 0.71 0.00 0.00 52.55 55.96 1bud s ASP 63 Cb -0.02 -2.61 0.50 0.00 1.01 0.00 0.00 42.92 41.80 1bud s ASP 63 CO -0.05 -0.96 1.41 0.18 0.21 0.00 0.00 175.17 175.96 1bud n LEU 64 N -0.45 1.85 -4.07 1.23 4.32 -1.26 -4.92 117.00 113.69 1bud n LEU 64 Ca 0.07 -0.62 -0.10 0.00 -0.02 0.00 0.00 56.01 55.35 1bud n LEU 64 Cb 0.47 -0.03 -0.08 0.00 -1.62 0.00 0.00 43.42 42.15 1bud n LEU 64 CO 0.49 0.32 -0.14 0.27 -1.22 0.00 0.00 177.39 177.11 1bud s ILE 65 N -2.26 0.07 -0.39 -0.08 -4.36 -1.26 -5.06 121.20 107.85 1bud s ILE 65 Ca 0.27 -1.68 -0.25 0.00 -0.26 0.00 0.00 60.65 58.73 1bud s ILE 65 Cb 0.20 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.88 1bud s ILE 65 CO 0.44 -0.30 0.87 -1.81 0.24 0.00 0.00 174.94 174.38 1bud s ASP 66 N -3.03 6.58 -0.34 4.36 1.01 -1.26 -5.01 116.67 118.99 1bud s ASP 66 Ca 0.23 0.37 -0.22 0.00 0.71 0.00 0.00 52.55 53.65 1bud s ASP 66 Cb 0.05 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1bud s ASP 66 CO 0.03 -0.85 0.71 -0.69 0.21 0.00 0.00 175.17 174.57 1bud s VAL 67 N 3.39 4.83 0.34 -1.27 1.01 -1.26 -4.74 120.40 122.70 1bud s VAL 67 Ca 0.35 0.83 0.08 0.00 0.00 0.00 0.00 61.98 63.23 1bud s VAL 67 Cb -0.12 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1bud s VAL 67 CO 0.20 -0.31 0.28 -1.61 0.00 0.00 0.00 175.10 173.66 1bud s GLU 68 N 2.85 2.67 0.50 2.72 2.02 -1.26 -5.00 118.70 123.20 1bud s GLU 68 Ca 0.28 -1.34 0.24 0.00 0.02 0.00 0.00 54.97 54.17 1bud s GLU 68 Cb -0.14 -2.43 1.33 0.00 0.10 0.00 0.00 34.13 32.99 1bud s GLU 68 CO 0.14 0.08 2.05 0.00 0.02 0.00 0.00 175.26 177.56 1bud h ALA 69 N 1.27 1.40 -1.79 5.21 0.00 -1.96 -3.39 119.26 119.99 1bud h ALA 69 Ca -0.44 -0.13 -0.56 0.00 0.00 0.00 0.00 54.91 53.78 1bud h ALA 69 Cb 1.25 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1bud h ALA 69 CO 0.59 0.17 0.98 0.45 0.00 0.00 0.00 179.25 181.44 1bud s SER 70 N -6.39 6.56 0.29 0.00 0.15 -1.26 -0.76 113.70 112.29 1bud s SER 70 Ca -0.03 0.73 -0.02 0.00 0.70 0.00 0.00 55.95 57.32 1bud s SER 70 Cb 0.14 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.32 1bud s SER 70 CO 0.61 -1.26 1.95 0.00 1.20 0.00 0.00 173.24 175.74 1bud h ALA 71 N 9.65 1.40 -0.75 5.45 0.00 -1.88 -2.39 119.26 130.74 1bud h ALA 71 Ca -0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1bud h ALA 71 Cb 1.08 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1bud h ALA 71 CO 1.09 0.53 0.33 0.78 0.00 0.00 0.00 179.25 181.99 1bud h GLY 72 N 1.16 1.16 1.63 0.00 0.00 -1.94 -1.61 103.07 103.47 1bud h GLY 72 Ca 0.34 -0.58 -0.21 0.00 0.00 0.00 0.00 47.33 46.87 1bud h GLY 72 CO -0.09 0.55 -0.90 3.43 0.00 0.00 0.00 176.54 179.54 1bud h ASN 73 N 1.07 0.43 -0.39 0.19 2.35 -1.88 -2.97 115.58 114.38 1bud h ASN 73 Ca 0.25 -0.34 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1bud h ASN 73 Cb 0.15 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1bud h ASN 73 CO -0.03 1.13 0.04 0.74 -1.65 0.00 0.00 177.43 177.67 1bud h THR 74 N 0.19 1.25 -0.30 2.81 2.02 -1.26 -1.16 112.91 116.47 1bud h THR 74 Ca -0.06 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1bud h THR 74 Cb 1.52 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1bud h THR 74 CO 0.15 0.31 0.19 0.25 0.37 0.00 0.00 175.52 176.79 1bud h LEU 75 N 0.49 0.35 -0.19 2.58 5.85 -1.34 -1.04 115.31 122.01 1bud h LEU 75 Ca 0.11 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1bud h LEU 75 Cb 0.40 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1bud h LEU 75 CO 0.01 0.27 0.10 0.50 -0.34 0.00 0.00 178.44 178.98 1bud h LYS 76 N 0.39 0.27 -0.59 1.25 3.64 -1.43 -0.44 116.57 119.66 1bud h LYS 76 Ca 0.11 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1bud h LYS 76 Cb -0.03 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1bud h LYS 76 CO -0.02 0.27 0.34 0.77 -2.27 0.00 0.00 179.45 178.54 1bud h SER 77 N 0.19 0.52 -0.36 4.20 0.02 -0.97 -1.68 113.55 115.48 1bud h SER 77 Ca 0.07 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1bud h SER 77 Cb 0.09 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1bud h SER 77 CO -0.01 0.36 0.15 0.15 -1.14 0.00 0.00 176.83 176.34 1bud h PHE 78 N 0.65 0.54 -0.90 3.45 3.57 -0.99 -0.94 116.94 122.33 1bud h PHE 78 Ca 0.25 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1bud h PHE 78 Cb 0.10 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 1bud h PHE 78 CO -0.07 0.49 0.59 0.78 -2.23 0.00 0.00 178.31 177.87 1bud h GLY 79 N 0.43 1.27 1.67 2.40 0.00 -0.73 0.93 103.07 109.04 1bud h GLY 79 Ca 0.12 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 1bud h GLY 79 CO -0.01 0.44 -0.43 0.83 0.00 0.00 0.00 176.54 177.37 1bud h GLU 80 N 1.19 0.36 -0.06 4.80 5.08 -1.01 -2.25 114.58 122.70 1bud h GLU 80 Ca 0.34 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1bud h GLU 80 Cb -0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1bud h GLU 80 CO -0.08 0.73 -0.68 2.35 -1.00 0.00 0.00 179.01 180.32 1bud h TRP 81 N 0.30 0.38 0.06 4.33 7.01 -0.69 -1.89 115.95 125.45 1bud h TRP 81 Ca 0.02 -0.16 -0.00 0.00 2.11 0.00 0.00 58.89 60.86 1bud h TRP 81 Cb 0.88 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 1bud h TRP 81 CO 0.02 0.88 -0.03 -0.09 -2.79 0.00 0.00 178.44 176.43 1bud h ARG 82 N 0.20 -0.08 -0.02 2.65 1.12 -0.44 -0.02 114.38 117.79 1bud h ARG 82 Ca -0.02 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.78 1bud h ARG 82 Cb 1.23 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1bud h ARG 82 CO 0.11 -0.06 -0.37 0.00 -3.11 0.00 0.00 179.97 176.54 1bud h ALA 83 N 0.85 1.36 0.15 2.80 0.00 -1.35 -1.60 119.26 121.46 1bud h ALA 83 Ca -0.01 -0.34 -0.32 0.00 0.00 0.00 0.00 54.91 54.24 1bud h ALA 83 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bud h ALA 83 CO 0.01 0.48 -1.55 -0.22 0.00 0.00 0.00 179.25 177.98 1bud h LYS 84 N 0.03 0.31 0.00 0.00 3.64 -1.19 -3.44 116.57 115.92 1bud h LYS 84 Ca 0.00 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1bud h LYS 84 Cb 0.67 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1bud h LYS 84 CO 0.05 1.20 0.00 -3.47 -2.27 0.00 0.00 179.45 174.96 1bud n ASP 85 N -3.52 0.00 -0.30 4.20 2.03 -0.03 -4.85 116.55 114.08 1bud n ASP 85 Ca -0.17 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.20 1bud n ASP 85 Cb 1.06 -0.04 0.16 0.00 -0.72 0.00 0.00 41.12 41.58 1bud n ASP 85 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1bud h LEU 86 N 0.00 -0.60 -2.43 -2.67 5.85 -1.50 -1.06 115.31 112.91 1bud h LEU 86 Ca 0.00 0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1bud h LEU 86 Cb 0.00 0.47 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1bud h LEU 86 CO 0.00 -0.27 0.13 0.16 -0.34 0.00 0.00 178.44 178.12 1bud h ILE 87 N 0.03 0.33 -0.01 4.05 3.07 -1.51 0.28 117.51 123.75 1bud h ILE 87 Ca 0.45 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.86 1bud h ILE 87 Cb 0.79 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 1bud h ILE 87 CO -0.83 0.00 -0.22 1.41 -1.05 0.00 0.00 178.15 177.46 1bud n HIS 88 N -3.55 0.00 -0.12 0.16 8.25 -0.40 -4.07 115.22 115.49 1bud n HIS 88 Ca -0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 1bud n HIS 88 Cb 0.22 -0.15 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 1bud n HIS 88 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1bud n ARG 89 N -0.78 0.50 -4.14 -0.41 0.63 -0.01 -4.99 116.66 107.46 1bud n ARG 89 Ca 0.13 0.20 -0.23 0.00 -0.92 0.00 0.00 57.85 57.02 1bud n ARG 89 Cb 0.33 -1.35 -0.17 0.00 0.45 0.00 0.00 32.46 31.72 1bud n ARG 89 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1bud s ILE 90 N -2.43 0.80 -0.12 5.15 -1.09 -0.63 -5.11 121.20 117.77 1bud s ILE 90 Ca -0.32 -0.22 -0.29 0.00 -2.23 0.00 0.00 60.65 57.58 1bud s ILE 90 Cb 0.12 -0.81 -0.02 0.00 -1.58 0.00 0.00 42.46 40.17 1bud s ILE 90 CO 0.42 0.30 1.20 -0.44 -1.23 0.00 0.00 174.94 175.20 1bud s SER 91 N 1.23 7.02 0.28 3.58 0.01 -1.26 -4.46 113.70 120.11 1bud s SER 91 Ca -0.05 1.70 -0.20 0.00 1.31 0.00 0.00 55.95 58.71 1bud s SER 91 Cb -0.14 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.56 1bud s SER 91 CO -0.02 -0.66 0.70 -1.38 0.41 0.00 0.00 173.24 172.29 1bud s HIS 92 N 2.85 -0.13 -0.07 2.43 -3.43 -1.26 -4.97 115.29 110.71 1bud s HIS 92 Ca 0.54 -0.33 0.17 0.00 -0.80 0.00 0.00 55.06 54.64 1bud s HIS 92 Cb -0.22 0.67 -0.26 0.00 -1.43 0.00 0.00 32.58 31.35 1bud s HIS 92 CO 0.17 -1.24 0.28 -0.25 -2.00 0.00 0.00 174.74 171.71 1bud n ASP 93 N -0.50 0.89 -3.60 7.38 8.00 0.10 -5.00 116.55 123.83 1bud n ASP 93 Ca -0.04 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.30 1bud n ASP 93 Cb 0.59 1.52 -0.07 0.00 -0.02 0.00 0.00 41.12 43.14 1bud n ASP 93 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1bud s ASN 94 N -4.39 -0.63 -0.01 -2.24 3.84 -1.13 -3.83 114.94 106.55 1bud s ASN 94 Ca -0.07 0.96 0.04 0.00 0.21 0.00 0.00 52.86 54.00 1bud s ASN 94 Cb 0.09 0.91 -0.01 0.00 -0.55 0.00 0.00 41.25 41.69 1bud s ASN 94 CO 0.73 -0.41 -0.12 0.00 -2.79 0.00 0.00 177.10 174.50 1bud s ALA 95 N -0.46 1.01 -0.04 1.71 0.00 -0.93 -2.30 121.76 120.75 1bud s ALA 95 Ca -0.06 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.41 1bud s ALA 95 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1bud s ALA 95 CO 0.05 0.24 -0.20 -0.65 0.00 0.00 0.00 175.76 175.20 1bud s GLN 96 N -0.35 2.02 -0.22 0.00 -1.52 -0.85 -2.40 119.66 116.34 1bud s GLN 96 Ca 0.04 -0.72 -0.12 0.00 -1.95 0.00 0.00 55.36 52.62 1bud s GLN 96 Cb -0.05 -1.75 -0.05 0.00 -0.22 0.00 0.00 33.01 30.94 1bud s GLN 96 CO -0.00 0.31 0.20 -1.17 -0.25 0.00 0.00 175.29 174.38 1bud s LEU 97 N -0.09 4.15 -0.23 2.90 2.96 -0.67 -0.70 118.68 126.99 1bud s LEU 97 Ca -0.02 0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1bud s LEU 97 Cb -0.12 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 1bud s LEU 97 CO 0.02 0.06 0.07 -0.76 -1.32 0.00 0.00 176.35 174.42 1bud s LEU 98 N 0.95 3.56 0.05 -0.68 2.01 0.84 -1.18 118.68 124.23 1bud s LEU 98 Ca 0.10 -0.12 0.03 0.00 0.01 0.00 0.00 54.13 54.15 1bud s LEU 98 Cb -0.13 -1.94 -0.03 0.00 0.01 0.00 0.00 46.19 44.10 1bud s LEU 98 CO 0.04 0.03 -0.09 0.28 1.01 0.00 0.00 176.35 177.62 1bud s THR 99 N 1.23 0.65 -2.65 5.49 -1.32 -0.78 -1.95 115.64 116.30 1bud s THR 99 Ca 0.05 -1.21 0.26 0.00 -1.21 0.00 0.00 61.69 59.57 1bud s THR 99 Cb -0.14 -0.80 0.41 0.00 -1.51 0.00 0.00 72.50 70.46 1bud s THR 99 CO 0.03 -0.41 1.55 0.00 -2.21 0.00 0.00 174.62 173.58 1bud n ALA 100 N 1.26 2.52 -1.84 11.08 0.00 -1.26 -1.25 120.51 131.02 1bud n ALA 100 Ca -0.21 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.26 1bud n ALA 100 Cb 0.55 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1bud n ALA 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bud s THR 101 N -1.96 2.90 -0.49 0.00 2.01 -1.26 -4.90 115.64 111.94 1bud s THR 101 Ca 0.34 0.85 -0.20 0.00 0.31 0.00 0.00 61.69 62.99 1bud s THR 101 Cb 0.20 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 69.22 1bud s THR 101 CO 0.32 0.18 0.64 -0.62 -0.69 0.00 0.00 174.62 174.44 1bud s ASP 102 N -0.23 6.25 0.41 3.53 2.15 -1.26 -4.85 116.67 122.67 1bud s ASP 102 Ca 0.52 -0.75 -0.26 0.00 0.43 0.00 0.00 52.55 52.49 1bud s ASP 102 Cb -0.38 -2.30 -0.08 0.00 -0.30 0.00 0.00 42.92 39.85 1bud s ASP 102 CO 0.47 -0.88 1.30 -0.36 -0.17 0.00 0.00 175.17 175.53 1bud s PHE 103 N 2.73 2.80 0.54 -5.34 0.08 -1.26 -4.84 117.98 112.69 1bud s PHE 103 Ca 0.17 1.42 -0.18 0.00 0.12 0.00 0.00 56.93 58.46 1bud s PHE 103 Cb -0.18 -3.65 -0.06 0.00 -0.57 0.00 0.00 43.02 38.56 1bud s PHE 103 CO 0.14 -2.08 1.05 0.16 -0.10 0.00 0.00 175.22 174.39 1bud s ASP 104 N -0.79 6.06 0.00 1.36 1.47 0.06 -4.43 116.67 120.41 1bud s ASP 104 Ca 0.58 1.90 0.00 0.00 1.18 0.00 0.00 52.55 56.21 1bud s ASP 104 Cb -0.37 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.66 1bud s ASP 104 CO 0.48 -0.97 0.00 0.61 0.68 0.00 0.00 175.17 175.97 1bud n GLY 105 N -0.54 -1.85 2.63 2.12 0.00 -1.26 -4.10 105.19 102.20 1bud n GLY 105 Ca 0.09 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1bud n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bud n ALA 106 N 0.27 6.49 -3.07 4.61 0.00 -1.26 -4.95 120.51 122.59 1bud n ALA 106 Ca 0.00 -3.51 -0.37 0.00 0.00 0.00 0.00 53.44 49.56 1bud n ALA 106 Cb 0.00 -2.14 -0.12 0.00 0.00 0.00 0.00 19.45 17.19 1bud n ALA 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bud s THR 107 N -3.18 4.25 -0.61 0.00 2.01 -1.26 -4.92 115.64 111.93 1bud s THR 107 Ca 0.56 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 62.28 1bud s THR 107 Cb 0.38 -3.07 -0.00 0.00 0.01 0.00 0.00 72.50 69.82 1bud s THR 107 CO -0.28 0.24 0.51 2.30 -0.69 0.00 0.00 174.62 176.70 1bud n ILE 108 N 4.92 0.00 -3.55 1.82 -5.35 -1.26 -4.18 119.36 111.75 1bud n ILE 108 Ca -0.15 -0.43 -0.10 0.00 -0.27 0.00 0.00 62.75 61.80 1bud n ILE 108 Cb 0.50 1.08 -0.04 0.00 -1.74 0.00 0.00 39.64 39.44 1bud n ILE 108 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1bud s GLY 109 N -1.09 -0.36 -0.16 3.28 0.00 -1.26 -0.33 107.32 107.40 1bud s GLY 109 Ca 0.06 1.64 -0.22 0.00 0.00 0.00 0.00 44.72 46.19 1bud s GLY 109 CO 0.17 0.80 0.58 -2.27 0.00 0.00 0.00 173.10 172.39 1bud s LEU 110 N -1.57 -0.24 0.10 0.66 2.96 0.43 -4.99 118.68 116.04 1bud s LEU 110 Ca -0.00 0.98 -0.16 0.00 -0.22 0.00 0.00 54.13 54.73 1bud s LEU 110 Cb -0.01 2.07 0.03 0.00 0.50 0.00 0.00 46.19 48.79 1bud s LEU 110 CO -0.01 -0.32 0.39 0.00 -1.32 0.00 0.00 176.35 175.09 1bud s ALA 111 N -0.19 -0.90 0.49 5.97 0.00 -1.26 0.18 121.76 126.05 1bud s ALA 111 Ca -0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 1bud s ALA 111 Cb -0.03 0.60 -0.08 0.00 0.00 0.00 0.00 23.12 23.60 1bud s ALA 111 CO 0.03 -0.59 1.03 0.71 0.00 0.00 0.00 175.76 176.94 1bud s TYR 112 N -3.49 3.04 -0.18 0.00 2.02 -1.23 -4.94 117.35 112.57 1bud s TYR 112 Ca 0.01 1.57 -0.09 0.00 -0.37 0.00 0.00 57.07 58.20 1bud s TYR 112 Cb 0.01 -3.03 -0.05 0.00 -0.40 0.00 0.00 41.96 38.50 1bud s TYR 112 CO -0.10 -0.76 0.11 0.08 -1.57 0.00 0.00 175.55 173.32 1bud s VAL 113 N -2.04 5.26 -0.94 0.71 1.01 -1.26 -3.20 120.40 119.94 1bud s VAL 113 Ca 0.66 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.70 1bud s VAL 113 Cb -0.15 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1bud s VAL 113 CO 0.20 0.49 0.77 0.00 0.00 0.00 0.00 175.10 176.56 1bud n ALA 114 N 3.17 -2.55 -2.00 5.51 0.00 -0.41 -4.88 120.51 119.34 1bud n ALA 114 Ca -0.17 -0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.22 1bud n ALA 114 Cb 0.53 -3.19 0.03 0.00 0.00 0.00 0.00 19.45 16.82 1bud n ALA 114 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bud n SER 115 N -2.49 0.57 -4.68 0.00 3.41 -0.12 -4.91 113.62 105.39 1bud n SER 115 Ca -0.08 -2.20 -0.45 0.00 -0.26 0.00 0.00 58.87 55.88 1bud n SER 115 Cb 0.58 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 1bud n SER 115 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1bud n MET 116 N -0.08 2.20 0.00 4.33 1.56 -1.17 -2.03 117.12 121.93 1bud n MET 116 Ca 0.04 0.79 0.00 0.00 -0.27 0.00 0.00 57.70 58.26 1bud n MET 116 Cb 0.80 -2.51 0.00 0.00 2.15 0.00 0.00 33.22 33.67 1bud n MET 116 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1bud s ASN 118 N -2.51 6.76 0.19 0.00 3.84 -0.86 -4.92 114.94 117.44 1bud s ASN 118 Ca 0.00 2.17 -0.20 0.00 0.21 0.00 0.00 52.86 55.04 1bud s ASN 118 Cb 0.00 -2.55 0.15 0.00 -0.55 0.00 0.00 41.25 38.30 1bud s ASN 118 CO 0.00 -0.82 1.59 -0.65 -2.79 0.00 0.00 177.10 174.43 1bud h PRO 119 N 8.50 -0.13 -0.02 0.43 0.11 -1.95 -1.38 132.00 137.56 1bud h PRO 119 Ca -0.38 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1bud h PRO 119 Cb 1.17 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1bud h PRO 119 CO 0.93 -0.09 -0.14 0.36 -0.21 0.00 0.00 178.00 178.86 1bud n LYS 120 N -5.44 1.67 0.00 1.05 2.85 -1.26 -3.93 118.16 113.10 1bud n LYS 120 Ca 0.05 -1.23 0.00 0.00 -1.05 0.00 0.00 58.31 56.08 1bud n LYS 120 Cb 0.36 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1bud n LYS 120 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1bud n ARG 121 N 0.41 6.54 -1.62 -1.58 1.74 -1.02 -4.36 116.66 116.78 1bud n ARG 121 Ca 0.14 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.82 1bud n ARG 121 Cb 0.46 -0.52 -0.02 0.00 -1.02 0.00 0.00 32.46 31.37 1bud n ARG 121 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1bud n SER 122 N -1.02 7.14 -3.94 0.55 2.88 -0.55 -4.50 113.62 114.18 1bud n SER 122 Ca 0.00 -2.78 -0.09 0.00 -1.33 0.00 0.00 58.87 54.67 1bud n SER 122 Cb 0.00 -1.54 -0.07 0.00 -0.75 0.00 0.00 64.21 61.85 1bud n SER 122 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1bud s VAL 123 N 1.71 0.08 0.20 2.46 -7.23 -1.26 -2.18 120.40 114.17 1bud s VAL 123 Ca 0.59 -1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 1bud s VAL 123 Cb 0.16 -1.74 -0.00 0.00 0.56 0.00 0.00 36.38 35.37 1bud s VAL 123 CO -0.07 -0.36 0.38 -0.83 -0.31 0.00 0.00 175.10 173.90 1bud s GLY 124 N -2.95 0.44 -0.04 2.32 0.00 -1.01 -3.51 107.32 102.57 1bud s GLY 124 Ca 0.15 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1bud s GLY 124 CO -0.02 -0.70 -0.08 0.14 0.00 0.00 0.00 173.10 172.44 1bud s VAL 125 N -3.98 0.74 -0.02 1.40 1.01 0.13 -1.67 120.40 118.01 1bud s VAL 125 Ca 0.18 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1bud s VAL 125 Cb 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1bud s VAL 125 CO 0.03 0.26 -0.03 -0.51 0.00 0.00 0.00 175.10 174.84 1bud s ILE 126 N 0.64 0.33 -0.00 2.22 2.07 -0.33 -0.43 121.20 125.71 1bud s ILE 126 Ca -0.10 -0.11 -0.23 0.00 -1.41 0.00 0.00 60.65 58.79 1bud s ILE 126 Cb -0.13 -0.32 -0.05 0.00 0.13 0.00 0.00 42.46 42.09 1bud s ILE 126 CO 0.01 0.13 0.70 -1.58 -1.91 0.00 0.00 174.94 172.29 1bud s GLN 127 N 0.31 4.43 -1.03 3.50 0.74 0.55 -1.86 119.66 126.30 1bud s GLN 127 Ca -0.03 0.92 -0.15 0.00 0.05 0.00 0.00 55.36 56.15 1bud s GLN 127 Cb -0.06 -3.38 -0.08 0.00 1.10 0.00 0.00 33.01 30.58 1bud s GLN 127 CO -0.00 0.24 2.13 -3.47 -0.55 0.00 0.00 175.29 173.64 1bud n ASP 128 N 3.07 4.03 0.00 6.67 2.03 -0.38 -4.73 116.55 127.24 1bud n ASP 128 Ca -0.03 -2.60 0.11 0.00 0.52 0.00 0.00 54.79 52.79 1bud n ASP 128 Cb 0.51 -1.26 0.54 0.00 -0.72 0.00 0.00 41.12 40.19 1bud n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bud n HIS 129 N 5.94 0.00 -3.95 -0.67 1.44 -1.26 -4.89 115.22 111.83 1bud n HIS 129 Ca 0.51 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 56.14 1bud n HIS 129 Cb 0.31 -0.36 -0.08 0.00 0.12 0.00 0.00 29.99 29.98 1bud n HIS 129 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1bud s SER 130 N -2.72 0.21 0.18 4.39 0.15 -1.26 -5.01 113.70 109.63 1bud s SER 130 Ca 0.18 -0.81 0.24 0.00 0.70 0.00 0.00 55.95 56.26 1bud s SER 130 Cb 0.15 0.32 0.44 0.00 -1.71 0.00 0.00 66.02 65.22 1bud s SER 130 CO 0.37 -0.72 1.44 0.77 1.20 0.00 0.00 173.24 176.30 1bud h SER 131 N 2.82 0.00 -3.58 5.45 4.64 -2.03 -3.43 113.55 117.41 1bud h SER 131 Ca -0.34 -0.12 -0.62 0.00 -0.47 0.00 0.00 61.79 60.24 1bud h SER 131 Cb 1.19 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.15 1bud h SER 131 CO 0.58 0.06 0.33 -0.69 -0.87 0.00 0.00 176.83 176.23 1bud s VAL 132 N -3.17 4.72 0.28 0.95 1.01 -1.26 -4.94 120.40 117.99 1bud s VAL 132 Ca 0.07 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1bud s VAL 132 Cb 0.12 -4.25 0.27 0.00 0.00 0.00 0.00 36.38 32.52 1bud s VAL 132 CO 0.69 -0.56 1.79 -1.13 0.00 0.00 0.00 175.10 175.89 1bud h ASN 133 N 8.73 0.74 -0.85 3.32 -0.73 -1.99 -2.56 115.58 122.24 1bud h ASN 133 Ca -0.25 0.08 0.09 0.00 1.87 0.00 0.00 56.30 58.08 1bud h ASN 133 Cb 1.09 -0.06 -0.07 0.00 0.27 0.00 0.00 38.32 39.55 1bud h ASN 133 CO 0.92 0.34 0.50 -0.09 -0.37 0.00 0.00 177.43 178.74 1bud h ARG 134 N 0.80 0.84 -0.55 6.67 2.43 -1.97 -0.73 114.38 121.87 1bud h ARG 134 Ca 0.50 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.56 1bud h ARG 134 Cb 0.64 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1bud h ARG 134 CO -0.33 0.56 0.13 -0.07 -1.51 0.00 0.00 179.97 178.75 1bud h LEU 135 N 0.87 0.83 -0.30 3.80 4.07 -1.87 -0.91 115.31 121.80 1bud h LEU 135 Ca 0.40 -0.24 -0.10 0.00 0.08 0.00 0.00 57.88 58.02 1bud h LEU 135 Cb 0.31 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1bud h LEU 135 CO -0.22 0.85 -0.22 0.58 -1.08 0.00 0.00 178.44 178.35 1bud h VAL 136 N 0.77 1.30 -0.54 1.22 2.07 -1.43 -2.70 116.25 116.94 1bud h VAL 136 Ca 0.17 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1bud h VAL 136 Cb 0.35 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1bud h VAL 136 CO 0.00 0.44 0.36 0.00 0.02 0.00 0.00 177.57 178.39 1bud h ALA 137 N 0.73 1.77 -0.68 1.67 0.00 -0.99 -1.38 119.26 120.37 1bud h ALA 137 Ca 0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1bud h ALA 137 Cb 0.77 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1bud h ALA 137 CO 0.06 0.16 0.13 0.82 0.00 0.00 0.00 179.25 180.42 1bud h ILE 138 N 0.59 1.26 -0.54 0.00 2.04 -0.94 -1.91 117.51 118.01 1bud h ILE 138 Ca 0.22 -1.02 -0.10 0.00 1.00 0.00 0.00 64.86 64.96 1bud h ILE 138 Cb 0.15 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1bud h ILE 138 CO -0.06 0.39 -0.05 0.74 0.00 0.00 0.00 178.15 179.17 1bud h THR 139 N 1.05 1.26 -0.09 -0.27 2.02 -0.97 0.64 112.91 116.54 1bud h THR 139 Ca 0.21 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1bud h THR 139 Cb 0.43 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1bud h THR 139 CO 0.01 0.42 0.06 0.25 0.37 0.00 0.00 175.52 176.63 1bud h LEU 140 N 0.87 0.11 -1.14 2.58 5.85 -1.17 -0.20 115.31 122.22 1bud h LEU 140 Ca 0.15 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1bud h LEU 140 Cb 0.58 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1bud h LEU 140 CO 0.04 0.08 0.23 0.00 -0.34 0.00 0.00 178.44 178.44 1bud h ALA 141 N 1.03 1.32 -0.21 1.25 0.00 -1.06 -1.84 119.26 119.76 1bud h ALA 141 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1bud h ALA 141 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1bud h ALA 141 CO -0.01 0.51 0.09 1.25 0.00 0.00 0.00 179.25 181.08 1bud h HIS 142 N 0.82 0.31 -0.35 0.00 -0.00 -0.16 -1.49 115.15 114.28 1bud h HIS 142 Ca 0.20 -0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.40 1bud h HIS 142 Cb 0.17 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 1bud h HIS 142 CO 0.01 0.34 -0.34 0.93 -0.00 0.00 0.00 177.93 178.88 1bud h GLU 143 N 0.19 0.79 -0.76 5.26 4.39 -0.84 -2.42 114.58 121.18 1bud h GLU 143 Ca 0.07 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 1bud h GLU 143 Cb 0.16 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1bud h GLU 143 CO -0.01 1.01 0.43 0.52 -1.16 0.00 0.00 179.01 179.81 1bud h MET 144 N 0.66 1.05 -0.31 2.33 2.86 -1.26 -2.23 114.93 118.02 1bud h MET 144 Ca 0.07 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1bud h MET 144 Cb 0.89 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1bud h MET 144 CO 0.08 0.75 -0.07 0.00 1.06 0.00 0.00 176.91 178.74 1bud h ALA 145 N 1.42 1.30 -0.50 6.32 0.00 -0.93 -1.58 119.26 125.29 1bud h ALA 145 Ca 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1bud h ALA 145 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1bud h ALA 145 CO -0.05 0.47 0.14 0.45 0.00 0.00 0.00 179.25 180.27 1bud h HIS 146 N 0.48 0.76 -0.33 0.00 -0.00 -0.93 -1.24 115.15 113.89 1bud h HIS 146 Ca 0.10 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1bud h HIS 146 Cb 0.42 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 1bud h HIS 146 CO 0.01 0.63 0.05 -0.91 -0.00 0.00 0.00 177.93 177.72 1bud h ASN 147 N 0.73 0.44 -0.16 2.45 -0.26 -1.05 -0.88 115.58 116.84 1bud h ASN 147 Ca 0.17 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1bud h ASN 147 Cb 0.23 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1bud h ASN 147 CO -0.01 0.47 0.00 0.18 -1.06 0.00 0.00 177.43 177.02 1bud n LEU 148 N -4.33 1.63 0.00 1.61 4.77 -0.53 -0.95 117.00 119.20 1bud n LEU 148 Ca 0.02 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1bud n LEU 148 Cb 0.20 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1bud n LEU 148 CO 0.38 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1bud n GLY 149 N 0.44 0.63 3.83 -0.72 0.00 -0.74 -4.58 105.19 104.05 1bud n GLY 149 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1bud n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bud s VAL 150 N -2.51 4.62 0.49 1.61 -7.23 -0.83 -4.84 120.40 111.71 1bud s VAL 150 Ca 0.00 1.15 0.07 0.00 -1.81 0.00 0.00 61.98 61.39 1bud s VAL 150 Cb 0.00 -3.78 0.02 0.00 0.56 0.00 0.00 36.38 33.18 1bud s VAL 150 CO 0.00 0.09 0.44 -0.55 -0.31 0.00 0.00 175.10 174.77 1bud s SER 151 N -1.85 4.86 0.60 4.85 0.15 -1.26 -4.29 113.70 116.77 1bud s SER 151 Ca 0.46 -0.98 -0.18 0.00 0.70 0.00 0.00 55.95 55.96 1bud s SER 151 Cb -0.15 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 1bud s SER 151 CO 0.20 -0.93 1.15 -1.00 1.20 0.00 0.00 173.24 173.86 1bud s HIS 152 N -2.63 2.54 0.48 3.44 0.09 -1.26 -4.90 115.29 113.05 1bud s HIS 152 Ca 0.44 1.54 -0.21 0.00 -0.00 0.00 0.00 55.06 56.83 1bud s HIS 152 Cb -0.03 -3.32 -0.07 0.00 -0.00 0.00 0.00 32.58 29.16 1bud s HIS 152 CO 0.26 -1.85 1.11 -0.51 -0.00 0.00 0.00 174.74 173.76 1bud s ASP 153 N -1.96 6.15 0.18 1.40 1.01 -0.09 -5.02 116.67 118.35 1bud s ASP 153 Ca 0.73 2.15 -0.17 0.00 0.71 0.00 0.00 52.55 55.96 1bud s ASP 153 Cb -0.25 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.12 1bud s ASP 153 CO 0.34 -0.92 0.50 -1.83 0.21 0.00 0.00 175.17 173.46 1bud s GLU 154 N -2.96 1.32 6.10 8.23 -1.05 -1.26 -4.66 118.70 124.41 1bud s GLU 154 Ca 0.66 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 1bud s GLU 154 Cb -0.24 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1bud s GLU 154 CO 0.28 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.35 1bud n GLY 155 N -0.32 3.46 0.39 -3.83 0.00 -1.26 -2.28 105.19 101.36 1bud n GLY 155 Ca -0.11 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1bud n GLY 155 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bud n SER 156 N 4.68 1.16 -4.68 1.61 7.64 -1.26 -4.94 113.62 117.83 1bud n SER 156 Ca 0.00 -1.86 -0.45 0.00 1.01 0.00 0.00 58.87 57.57 1bud n SER 156 Cb 0.00 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 1bud n SER 156 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bud s SER 158 N 0.58 0.17 -0.25 0.00 1.04 -1.26 -4.64 113.70 109.33 1bud s SER 158 Ca 0.72 -0.71 0.18 0.00 0.48 0.00 0.00 55.95 56.62 1bud s SER 158 Cb -0.65 0.33 0.49 0.00 0.10 0.00 0.00 66.02 66.29 1bud s SER 158 CO 0.44 -0.72 1.14 0.00 0.98 0.00 0.00 173.24 175.09 1bud n GLY 160 N -0.57 0.32 0.00 0.00 0.00 -1.26 -4.95 105.19 98.72 1bud n GLY 160 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1bud n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bud n GLY 161 N -1.09 3.71 0.11 -0.02 0.00 -1.26 -5.04 105.19 101.60 1bud n GLY 161 Ca -0.05 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 1bud n GLY 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bud n LYS 162 N -1.91 0.69 -2.52 1.61 4.01 -1.26 -4.50 118.16 114.27 1bud n LYS 162 Ca 0.00 0.20 -0.42 0.00 -0.51 0.00 0.00 58.31 57.58 1bud n LYS 162 Cb 0.00 -1.66 -0.03 0.00 -0.51 0.00 0.00 35.03 32.83 1bud n LYS 162 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1bud s SER 163 N -6.34 6.29 0.25 4.39 0.01 -1.26 -4.75 113.70 112.29 1bud s SER 163 Ca -0.17 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.13 1bud s SER 163 Cb 0.07 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 1bud s SER 163 CO 0.77 -1.63 0.02 0.00 0.41 0.00 0.00 173.24 172.80 1bud h ILE 165 N 1.19 0.42 -0.22 0.00 2.04 -1.37 -1.61 117.51 117.95 1bud h ILE 165 Ca -0.20 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1bud h ILE 165 Cb 0.64 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1bud h ILE 165 CO 0.33 0.04 0.07 0.23 0.00 0.00 0.00 178.15 178.83 1bud n MET 166 N -5.19 1.86 -2.13 2.37 2.81 -1.26 -4.77 117.12 110.81 1bud n MET 166 Ca 0.18 -0.91 -0.39 0.00 -1.81 0.00 0.00 57.70 54.77 1bud n MET 166 Cb 0.56 -1.59 -0.01 0.00 -0.71 0.00 0.00 33.22 31.48 1bud n MET 166 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1bud s SER 167 N -0.02 6.28 0.00 7.83 0.15 -0.61 -0.91 113.70 126.42 1bud s SER 167 Ca 0.16 2.53 0.15 0.00 0.70 0.00 0.00 55.95 59.49 1bud s SER 167 Cb 0.13 -2.63 0.67 0.00 -1.71 0.00 0.00 66.02 62.49 1bud s SER 167 CO 0.04 -0.86 1.45 -0.81 1.20 0.00 0.00 173.24 174.26 1bud n PRO 168 N -0.04 0.08 -4.04 5.44 -0.04 -1.26 -4.72 135.00 130.42 1bud n PRO 168 Ca 0.05 0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1bud n PRO 168 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 1bud n PRO 168 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1bud s SER 169 N -2.84 0.53 -0.13 3.54 0.01 -1.26 -5.15 113.70 108.41 1bud s SER 169 Ca 0.10 -0.36 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 1bud s SER 169 Cb 0.10 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1bud s SER 169 CO 0.25 -0.14 0.05 -0.51 0.41 0.00 0.00 173.24 173.30 1bud s ILE 170 N -0.92 4.68 0.25 1.44 2.07 -1.26 -5.01 121.20 122.44 1bud s ILE 170 Ca -0.07 -0.09 -0.11 0.00 -1.41 0.00 0.00 60.65 58.96 1bud s ILE 170 Cb -0.07 -3.03 -0.01 0.00 0.13 0.00 0.00 42.46 39.48 1bud s ILE 170 CO -0.00 0.55 0.44 -0.94 -1.91 0.00 0.00 174.94 173.08 1bud s SER 171 N -0.42 -0.00 0.00 4.50 1.04 -1.26 -5.02 113.70 112.54 1bud s SER 171 Ca 0.09 -1.02 0.17 0.00 0.48 0.00 0.00 55.95 55.68 1bud s SER 171 Cb -0.12 0.57 0.98 0.00 0.10 0.00 0.00 66.02 67.55 1bud s SER 171 CO 0.02 -1.12 1.64 -0.90 0.98 0.00 0.00 173.24 173.85 1bud n ASP 172 N -0.44 0.21 -0.49 7.02 5.68 -1.26 -2.08 116.55 125.18 1bud n ASP 172 Ca -0.01 -1.50 0.13 0.00 -0.50 0.00 0.00 54.79 52.91 1bud n ASP 172 Cb 0.62 -0.01 0.33 0.00 -1.14 0.00 0.00 41.12 40.92 1bud n ASP 172 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1bud n GLU 173 N -0.63 1.45 -2.55 0.11 1.02 -1.26 -4.88 120.64 113.90 1bud n GLU 173 Ca 0.13 -0.98 -0.42 0.00 -0.02 0.00 0.00 57.16 55.87 1bud n GLU 173 Cb 0.09 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1bud n GLU 173 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1bud s THR 174 N -2.23 4.43 0.10 2.62 2.01 -0.89 -4.75 115.64 116.94 1bud s THR 174 Ca 0.29 1.74 -0.20 0.00 0.31 0.00 0.00 61.69 63.83 1bud s THR 174 Cb 0.20 -4.12 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 1bud s THR 174 CO 0.42 0.06 0.62 -0.51 -0.69 0.00 0.00 174.62 174.52 1bud s ILE 175 N 1.63 4.66 -0.08 1.82 2.07 -0.49 -4.96 121.20 125.85 1bud s ILE 175 Ca 0.54 1.30 0.00 0.00 -1.41 0.00 0.00 60.65 61.08 1bud s ILE 175 Cb -0.24 -3.94 0.00 0.00 0.13 0.00 0.00 42.46 38.42 1bud s ILE 175 CO 0.24 0.51 0.59 2.29 -1.91 0.00 0.00 174.94 176.67 1bud n LYS 176 N 1.59 0.62 -4.31 3.50 2.85 -1.26 -3.17 118.16 117.98 1bud n LYS 176 Ca -0.09 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.98 1bud n LYS 176 Cb 0.50 -1.20 -0.11 0.00 -0.65 0.00 0.00 35.03 33.57 1bud n LYS 176 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1bud s TYR 177 N 0.27 1.63 0.44 5.58 2.02 -1.26 -4.61 117.35 121.42 1bud s TYR 177 Ca 0.00 -0.54 -0.13 0.00 -0.37 0.00 0.00 57.07 56.03 1bud s TYR 177 Cb 0.00 -0.81 -0.07 0.00 -0.40 0.00 0.00 41.96 40.68 1bud s TYR 177 CO 0.00 0.27 0.85 -0.06 -1.57 0.00 0.00 175.55 175.04 1bud s PHE 178 N -2.41 3.45 0.79 2.71 0.08 -1.26 -2.08 117.98 119.25 1bud s PHE 178 Ca 0.16 1.23 -0.10 0.00 0.12 0.00 0.00 56.93 58.33 1bud s PHE 178 Cb -0.04 -2.59 0.09 0.00 -0.57 0.00 0.00 43.02 39.92 1bud s PHE 178 CO 0.05 -0.18 1.13 -1.54 -0.10 0.00 0.00 175.22 174.58 1bud s SER 179 N -3.02 4.43 0.31 1.36 1.04 -1.26 -4.60 113.70 111.97 1bud s SER 179 Ca 0.54 0.53 0.01 0.00 0.48 0.00 0.00 55.95 57.52 1bud s SER 179 Cb -0.10 -1.02 0.52 0.00 0.10 0.00 0.00 66.02 65.52 1bud s SER 179 CO 0.29 -1.90 1.89 -2.24 0.98 0.00 0.00 173.24 172.26 1bud h ASP 180 N -0.94 0.68 -0.90 7.02 3.04 -1.23 -1.95 116.42 122.14 1bud h ASP 180 Ca -0.45 -0.10 -0.01 0.00 -3.24 0.00 0.00 57.03 53.24 1bud h ASP 180 Cb 1.31 -0.18 -0.04 0.00 -1.04 0.00 0.00 39.33 39.38 1bud h ASP 180 CO 0.59 0.64 0.54 0.00 -2.04 0.00 0.00 179.24 178.97 1bud h SER 182 N 1.25 1.06 0.16 0.00 0.02 -1.73 -1.64 113.55 112.66 1bud h SER 182 Ca 0.32 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1bud h SER 182 Cb -0.05 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.21 1bud h SER 182 CO -0.06 1.07 -0.08 0.22 -1.14 0.00 0.00 176.83 176.85 1bud h TYR 183 N 1.02 -0.20 -0.11 3.45 5.03 -1.01 -1.61 116.97 123.54 1bud h TYR 183 Ca 0.19 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.54 1bud h TYR 183 Cb 0.48 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.79 1bud h TYR 183 CO 0.04 -0.10 -0.14 0.82 -1.32 0.00 0.00 178.16 177.45 1bud h ILE 184 N -0.23 0.62 -0.61 1.81 1.08 -1.06 -0.58 117.51 118.54 1bud h ILE 184 Ca -0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1bud h ILE 184 Cb 0.18 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 1bud h ILE 184 CO 0.04 0.00 0.24 1.56 -0.69 0.00 0.00 178.15 179.30 1bud h GLN 185 N -0.18 0.92 0.04 2.37 4.20 -1.24 -0.01 115.11 121.22 1bud h GLN 185 Ca 0.09 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1bud h GLN 185 Cb 0.30 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1bud h GLN 185 CO -0.22 0.78 -0.02 0.00 -0.67 0.00 0.00 178.83 178.70 1bud h ARG 187 N -0.25 0.08 -0.55 0.00 2.47 -1.02 -1.86 114.38 113.25 1bud h ARG 187 Ca -0.01 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.56 1bud h ARG 187 Cb 0.23 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 1bud h ARG 187 CO 0.01 0.49 -0.11 0.22 0.56 0.00 0.00 179.97 181.15 1bud h ASP 188 N 0.07 1.04 -0.21 7.04 1.82 -0.89 0.25 116.42 125.54 1bud h ASP 188 Ca 0.00 -0.34 -0.01 0.00 -0.39 0.00 0.00 57.03 56.29 1bud h ASP 188 Cb 0.78 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1bud h ASP 188 CO 0.06 1.14 0.07 0.22 -1.61 0.00 0.00 179.24 179.12 1bud h TYR 189 N 0.92 0.33 -0.29 0.28 3.20 -0.99 0.23 116.97 120.65 1bud h TYR 189 Ca 0.14 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1bud h TYR 189 Cb 0.68 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 1bud h TYR 189 CO 0.05 0.39 0.07 0.82 -1.64 0.00 0.00 178.16 177.85 1bud h ILE 190 N 0.18 0.88 0.25 1.81 1.08 -1.19 0.20 117.51 120.71 1bud h ILE 190 Ca 0.07 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1bud h ILE 190 Cb 0.21 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1bud h ILE 190 CO -0.00 0.03 -0.28 -1.28 -0.69 0.00 0.00 178.15 175.93 1bud h SER 191 N 0.18 -0.77 -0.05 1.72 0.87 -0.68 0.33 113.55 115.15 1bud h SER 191 Ca 0.13 0.07 -0.23 0.00 -1.23 0.00 0.00 61.79 60.54 1bud h SER 191 Cb 0.13 0.27 0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1bud h SER 191 CO -0.16 -0.40 -0.86 0.11 -0.53 0.00 0.00 176.83 174.99 1bud h LYS 192 N -0.58 0.68 0.00 2.24 1.57 -0.73 -3.35 116.57 116.40 1bud h LYS 192 Ca -0.00 -0.66 -0.28 0.00 -1.87 0.00 0.00 60.65 57.84 1bud h LYS 192 Cb 0.55 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 1bud h LYS 192 CO -0.08 1.26 -1.78 0.39 -0.57 0.00 0.00 179.45 178.66 1bud n GLU 193 N -3.96 0.64 -4.00 3.15 -0.58 0.69 -5.01 120.64 111.56 1bud n GLU 193 Ca -0.10 0.23 -0.44 0.00 -0.42 0.00 0.00 57.16 56.44 1bud n GLU 193 Cb 0.79 -1.75 0.03 0.00 -0.57 0.00 0.00 31.44 29.94 1bud n GLU 193 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1bud n ASN 194 N -2.96 -4.40 -4.55 1.62 5.15 0.12 -4.76 115.26 105.46 1bud n ASN 194 Ca -0.18 -1.24 -0.50 0.00 -0.60 0.00 0.00 54.58 52.06 1bud n ASN 194 Cb 1.03 -2.00 -0.06 0.00 -0.53 0.00 0.00 39.78 38.22 1bud n ASN 194 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1bud n PRO 195 N -4.84 1.47 0.26 1.20 -0.02 -1.26 -4.83 135.00 126.97 1bud n PRO 195 Ca -0.11 0.46 0.09 0.00 -2.02 0.00 0.00 63.50 61.93 1bud n PRO 195 Cb 0.57 -2.56 0.67 0.00 -0.02 0.00 0.00 33.50 32.16 1bud n PRO 195 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1bud h PRO 196 N 11.34 0.00 0.00 0.52 0.11 -1.93 -3.04 132.00 139.01 1bud h PRO 196 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1bud h PRO 196 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1bud h PRO 196 CO 0.99 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.84 1bud n ILE 198 N -2.56 2.61 0.00 0.00 -5.35 -1.15 -4.28 119.36 108.63 1bud n ILE 198 Ca -0.00 -1.62 -0.18 0.00 -0.27 0.00 0.00 62.75 60.68 1bud n ILE 198 Cb 0.16 -0.28 -0.14 0.00 -1.74 0.00 0.00 39.64 37.64 1bud n ILE 198 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1bud h LEU 199 N 3.08 0.30 0.00 7.28 4.07 -1.61 -0.25 115.31 128.18 1bud h LEU 199 Ca 0.02 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 57.30 1bud h LEU 199 Cb 1.81 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.45 1bud h LEU 199 CO 0.41 1.60 0.00 -0.46 -1.08 0.00 0.00 178.44 178.91