#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2chg s GLU 5 N 0.00 0.59 -0.09 -4.13 2.12 -1.26 -5.16 118.70 110.78 2chg s GLU 5 Ca 0.00 0.43 0.03 0.00 0.36 0.00 0.00 54.97 55.78 2chg s GLU 5 Cb 0.00 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.68 2chg s GLU 5 CO 0.00 -0.11 -0.17 0.96 -0.54 0.00 0.00 175.26 175.40 2chg s ILE 6 N -0.19 1.56 0.29 -3.70 -4.36 -1.26 -5.02 121.20 108.52 2chg s ILE 6 Ca -0.04 -0.72 0.20 0.00 -0.26 0.00 0.00 60.65 59.84 2chg s ILE 6 Cb -0.03 -1.38 0.18 0.00 1.25 0.00 0.00 42.46 42.48 2chg s ILE 6 CO 0.02 0.45 1.87 -0.50 0.24 0.00 0.00 174.94 177.02 2chg h TRP 7 N 6.94 0.00 -0.92 1.37 4.06 -1.97 0.75 115.95 126.18 2chg h TRP 7 Ca -0.26 0.00 0.21 0.00 2.06 0.00 0.00 58.89 60.90 2chg h TRP 7 Cb 1.21 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.30 2chg h TRP 7 CO 0.48 0.28 0.61 0.28 -3.56 0.00 0.00 178.44 176.53 2chg h VAL 8 N 0.00 0.65 0.04 1.49 2.07 -1.93 0.28 116.25 118.86 2chg h VAL 8 Ca -0.00 -0.13 -0.38 0.00 0.82 0.00 0.00 66.70 67.01 2chg h VAL 8 Cb 0.65 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2chg h VAL 8 CO 0.04 0.07 -2.27 -0.62 0.02 0.00 0.00 177.57 174.81 2chg n GLU 9 N -4.51 0.68 -0.32 1.57 -0.58 -0.37 -3.45 120.64 113.67 2chg n GLU 9 Ca 0.20 0.21 0.05 0.00 -0.42 0.00 0.00 57.16 57.20 2chg n GLU 9 Cb 0.74 -1.59 0.21 0.00 -0.57 0.00 0.00 31.44 30.22 2chg n GLU 9 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2chg h LYS 10 N -0.08 0.81 -0.64 3.49 3.64 -0.70 -2.44 116.57 120.65 2chg h LYS 10 Ca -0.53 -0.05 -0.35 0.00 -1.27 0.00 0.00 60.65 58.46 2chg h LYS 10 Cb 1.91 -0.18 -0.20 0.00 -0.41 0.00 0.00 32.23 33.34 2chg h LYS 10 CO -0.05 0.53 0.21 0.66 -2.27 0.00 0.00 179.45 178.54 2chg n TYR 11 N -4.72 2.00 -2.45 1.91 4.02 0.96 -4.97 117.16 113.91 2chg n TYR 11 Ca 0.16 -1.80 -0.41 0.00 -0.01 0.00 0.00 57.90 55.84 2chg n TYR 11 Cb 0.34 -0.71 -0.04 0.00 -0.02 0.00 0.00 39.34 38.91 2chg n TYR 11 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2chg s ARG 12 N -3.32 4.55 0.17 -0.72 3.52 -0.92 -4.96 118.95 117.28 2chg s ARG 12 Ca 0.51 1.80 -0.34 0.00 -0.13 0.00 0.00 55.73 57.57 2chg s ARG 12 Cb 0.44 -3.25 -0.15 0.00 -1.56 0.00 0.00 34.95 30.43 2chg s ARG 12 CO 0.04 0.02 1.40 -2.30 -0.81 0.00 0.00 175.30 173.64 2chg n PRO 13 N 2.29 1.70 -0.00 5.12 -0.02 -1.26 -4.90 135.00 137.93 2chg n PRO 13 Ca 0.03 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 2chg n PRO 13 Cb 0.45 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 2chg n PRO 13 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2chg n ARG 14 N 2.51 0.62 -3.81 -0.52 3.00 -1.26 -4.50 116.66 112.70 2chg n ARG 14 Ca 0.15 -0.09 -0.09 0.00 -0.01 0.00 0.00 57.85 57.81 2chg n ARG 14 Cb 0.26 -1.44 -0.07 0.00 0.00 0.00 0.00 32.46 31.21 2chg n ARG 14 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2chg s THR 15 N -3.11 0.12 0.40 0.55 -1.32 -1.26 -4.61 115.64 106.41 2chg s THR 15 Ca -0.00 -1.01 0.08 0.00 -1.21 0.00 0.00 61.69 59.54 2chg s THR 15 Cb 0.14 -1.25 0.29 0.00 -1.51 0.00 0.00 72.50 70.17 2chg s THR 15 CO 0.81 -0.56 2.02 -0.07 -2.21 0.00 0.00 174.62 174.61 2chg h LEU 16 N 2.77 0.51 -1.12 9.08 4.07 -1.94 -2.10 115.31 126.57 2chg h LEU 16 Ca -0.34 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2chg h LEU 16 Cb 1.21 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.83 2chg h LEU 16 CO 0.53 0.35 0.00 0.44 -1.08 0.00 0.00 178.44 178.68 2chg h ASP 17 N 0.59 0.00 1.03 -0.43 3.32 -1.97 -2.06 116.42 116.91 2chg h ASP 17 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2chg h ASP 17 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2chg h ASP 17 CO -0.06 0.00 -0.27 -0.62 -1.72 0.00 0.00 179.24 176.57 2chg n GLU 18 N -2.41 0.17 -2.79 3.56 1.02 -0.79 -4.81 120.64 114.59 2chg n GLU 18 Ca 0.01 0.10 -0.37 0.00 -0.02 0.00 0.00 57.16 56.88 2chg n GLU 18 Cb 0.18 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 2chg n GLU 18 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2chg s VAL 19 N -3.08 4.23 0.04 2.62 -7.23 -0.78 -4.76 120.40 111.44 2chg s VAL 19 Ca 0.10 1.78 0.08 0.00 -1.81 0.00 0.00 61.98 62.14 2chg s VAL 19 Cb 0.15 -3.97 -0.03 0.00 0.56 0.00 0.00 36.38 33.09 2chg s VAL 19 CO 0.64 0.10 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.61 2chg s VAL 20 N -1.66 1.89 -0.22 1.32 1.01 -1.26 -4.72 120.40 116.76 2chg s VAL 20 Ca 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2chg s VAL 20 Cb -0.18 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2chg s VAL 20 CO 0.23 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2chg n GLY 21 N 1.89 0.55 2.71 4.51 0.00 -1.26 -4.88 105.19 108.71 2chg n GLY 21 Ca -0.17 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 2chg n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2chg n GLN 22 N -2.54 1.91 -0.13 1.61 1.13 -1.26 -4.70 117.38 113.39 2chg n GLN 22 Ca -0.02 -3.58 0.08 0.00 -1.94 0.00 0.00 57.00 51.54 2chg n GLN 22 Cb 0.12 -1.65 0.40 0.00 0.11 0.00 0.00 30.24 29.21 2chg n GLN 22 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2chg h ASP 23 N 2.61 0.56 -0.10 1.08 3.45 -1.91 -1.33 116.42 120.79 2chg h ASP 23 Ca -0.06 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.42 2chg h ASP 23 Cb 1.28 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.91 2chg h ASP 23 CO 0.31 0.36 -0.05 -0.08 -1.57 0.00 0.00 179.24 178.21 2chg h GLU 24 N 0.64 -0.04 0.22 3.56 4.22 -1.96 -1.01 114.58 120.20 2chg h GLU 24 Ca 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.72 2chg h GLU 24 Cb 0.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2chg h GLU 24 CO -0.09 -0.03 -0.10 0.28 -2.18 0.00 0.00 179.01 176.89 2chg h VAL 25 N -0.04 0.85 -0.75 0.32 2.07 -1.65 -3.06 116.25 114.00 2chg h VAL 25 Ca 0.06 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2chg h VAL 25 Cb 0.13 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2chg h VAL 25 CO -0.13 0.09 0.47 0.40 0.02 0.00 0.00 177.57 178.42 2chg h ILE 26 N -0.48 1.10 -0.57 4.57 1.08 -1.17 -0.74 117.51 121.31 2chg h ILE 26 Ca -0.03 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 2chg h ILE 26 Cb 0.36 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.19 2chg h ILE 26 CO 0.05 0.17 0.26 1.56 -0.69 0.00 0.00 178.15 179.50 2chg h GLN 27 N 0.92 0.82 -0.64 2.37 1.08 -1.19 -0.12 115.11 118.35 2chg h GLN 27 Ca 0.30 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 2chg h GLN 27 Cb 0.02 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 2chg h GLN 27 CO -0.11 0.68 0.17 0.00 -0.95 0.00 0.00 178.83 178.62 2chg h ARG 28 N 0.77 1.00 -0.40 1.46 3.08 -1.35 -2.98 114.38 115.96 2chg h ARG 28 Ca 0.19 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2chg h ARG 28 Cb 0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2chg h ARG 28 CO -0.02 0.90 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.67 2chg h LEU 29 N 0.93 0.64 -1.57 3.04 4.07 -0.70 -1.97 115.31 119.76 2chg h LEU 29 Ca 0.20 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 2chg h LEU 29 Cb 0.33 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2chg h LEU 29 CO -0.00 0.74 -0.23 0.11 -1.08 0.00 0.00 178.44 177.98 2chg h LYS 30 N 0.63 0.00 -0.74 1.13 1.57 -0.95 -2.50 116.57 115.71 2chg h LYS 30 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2chg h LYS 30 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2chg h LYS 30 CO 0.02 0.23 0.48 0.78 -0.57 0.00 0.00 179.45 180.38 2chg h GLY 31 N 0.79 1.05 1.42 3.86 0.00 -1.20 -2.36 103.07 106.63 2chg h GLY 31 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 2chg h GLY 31 CO 0.03 0.40 -0.02 -0.97 0.00 0.00 0.00 176.54 175.98 2chg h TYR 32 N 1.01 0.75 -0.03 5.60 0.05 -1.38 -2.72 116.97 120.25 2chg h TYR 32 Ca 0.27 -0.10 -0.14 0.00 0.05 0.00 0.00 58.73 58.81 2chg h TYR 32 Cb -0.09 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 2chg h TYR 32 CO -0.02 0.72 -0.61 -0.39 -1.05 0.00 0.00 178.16 176.81 2chg h VAL 33 N 0.66 1.42 -0.42 -2.88 -1.51 -1.23 -1.41 116.25 110.87 2chg h VAL 33 Ca 0.13 -2.05 0.05 0.00 -1.23 0.00 0.00 66.70 63.60 2chg h VAL 33 Cb 0.44 2.08 -0.05 0.00 -2.13 0.00 0.00 31.29 31.64 2chg h VAL 33 CO 0.02 0.60 0.16 -0.33 -1.23 0.00 0.00 177.57 176.79 2chg h GLU 34 N 0.07 0.33 0.00 5.19 5.08 -1.26 -2.23 114.58 121.76 2chg h GLU 34 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2chg h GLU 34 Cb 1.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2chg h GLU 34 CO 0.09 0.22 0.00 0.54 -1.00 0.00 0.00 179.01 178.85 2chg n ARG 35 N -4.99 0.04 -1.77 2.33 1.74 -1.02 -4.91 116.66 108.08 2chg n ARG 35 Ca 0.03 0.17 -0.18 0.00 -0.77 0.00 0.00 57.85 57.10 2chg n ARG 35 Cb 0.15 -1.55 -0.05 0.00 -1.02 0.00 0.00 32.46 29.98 2chg n ARG 35 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2chg n LYS 36 N -1.62 -1.29 -3.65 5.56 5.02 -0.56 -4.97 118.16 116.65 2chg n LYS 36 Ca 0.05 1.04 -0.15 0.00 -2.02 0.00 0.00 58.31 57.23 2chg n LYS 36 Cb 0.26 -5.36 -0.07 0.00 -0.02 0.00 0.00 35.03 29.83 2chg n LYS 36 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2chg s ASN 37 N -2.62 -0.39 0.05 4.39 2.47 -1.03 -4.99 114.94 112.82 2chg s ASN 37 Ca 0.00 0.32 0.02 0.00 0.42 0.00 0.00 52.86 53.63 2chg s ASN 37 Cb 0.00 0.42 -0.03 0.00 -1.45 0.00 0.00 41.25 40.19 2chg s ASN 37 CO 0.00 -0.55 -0.08 0.27 -3.72 0.00 0.00 177.10 173.02 2chg s ILE 38 N -1.46 0.62 0.54 -5.21 -4.36 -1.26 -4.56 121.20 105.50 2chg s ILE 38 Ca -0.11 -1.25 -0.09 0.00 -0.26 0.00 0.00 60.65 58.94 2chg s ILE 38 Cb -0.03 -0.83 0.12 0.00 1.25 0.00 0.00 42.46 42.98 2chg s ILE 38 CO 0.05 -0.45 0.71 -0.81 0.24 0.00 0.00 174.94 174.69 2chg n PRO 39 N 1.19 -0.80 -2.01 0.37 -0.04 -1.26 -5.00 135.00 127.45 2chg n PRO 39 Ca -0.21 -1.10 -0.36 0.00 -0.04 0.00 0.00 63.50 61.78 2chg n PRO 39 Cb 0.56 -0.75 0.03 0.00 -0.04 0.00 0.00 33.50 33.29 2chg n PRO 39 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2chg s HIS 40 N -2.54 2.44 0.06 0.54 3.76 -1.26 -4.74 115.29 113.54 2chg s HIS 40 Ca 0.41 1.50 0.06 0.00 -0.15 0.00 0.00 55.06 56.88 2chg s HIS 40 Cb -0.01 -3.51 -0.03 0.00 1.11 0.00 0.00 32.58 30.14 2chg s HIS 40 CO 0.29 -2.22 -0.17 -0.51 -0.85 0.00 0.00 174.74 171.27 2chg s LEU 41 N -3.86 2.22 -0.17 0.89 1.02 0.22 -1.02 118.68 117.98 2chg s LEU 41 Ca 0.75 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 54.35 2chg s LEU 41 Cb -0.32 -0.74 0.04 0.00 0.02 0.00 0.00 46.19 45.19 2chg s LEU 41 CO 0.35 0.05 -0.11 -0.22 0.02 0.00 0.00 176.35 176.44 2chg s LEU 42 N -1.42 1.95 -0.34 1.79 0.20 0.08 -0.97 118.68 119.96 2chg s LEU 42 Ca 0.03 -0.70 -0.12 0.00 0.69 0.00 0.00 54.13 54.03 2chg s LEU 42 Cb -0.09 -1.15 -0.00 0.00 -0.43 0.00 0.00 46.19 44.51 2chg s LEU 42 CO 0.02 -0.12 0.22 -0.36 -0.29 0.00 0.00 176.35 175.82 2chg s PHE 43 N 1.47 3.22 -0.06 5.38 2.99 0.65 -0.14 117.98 131.49 2chg s PHE 43 Ca 0.01 -0.45 0.04 0.00 0.00 0.00 0.00 56.93 56.53 2chg s PHE 43 Cb -0.15 -2.45 -0.02 0.00 0.00 0.00 0.00 43.02 40.41 2chg s PHE 43 CO -0.09 -0.45 -0.19 0.45 -0.00 0.00 0.00 175.22 174.94 2chg s SER 44 N 1.66 3.59 0.00 1.36 0.15 0.29 -0.69 113.70 120.06 2chg s SER 44 Ca 0.05 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2chg s SER 44 Cb -0.18 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 2chg s SER 44 CO 0.09 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2chg n GLY 45 N 2.73 -0.51 3.75 9.45 0.00 -0.46 0.94 105.19 121.08 2chg n GLY 45 Ca -0.17 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 2chg n GLY 45 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2chg s PRO 46 N -1.79 2.97 0.52 1.61 0.02 -1.26 -4.17 135.00 132.91 2chg s PRO 46 Ca 0.00 1.85 -0.21 0.00 0.02 0.00 0.00 61.00 62.66 2chg s PRO 46 Cb 0.00 -1.94 -0.07 0.00 0.02 0.00 0.00 34.50 32.51 2chg s PRO 46 CO 0.00 -1.21 1.08 -0.35 -0.33 0.00 0.00 177.00 176.19 2chg n PRO 47 N -1.57 1.29 -1.00 5.54 -0.04 -1.26 -3.34 135.00 134.62 2chg n PRO 47 Ca 0.14 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 2chg n PRO 47 Cb 0.49 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2chg n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2chg n GLY 48 N 1.11 0.42 0.05 0.55 0.00 -1.26 -4.89 105.19 101.17 2chg n GLY 48 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2chg n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2chg n THR 49 N -2.77 0.26 0.00 2.61 -2.24 -1.21 -4.14 114.28 106.79 2chg n THR 49 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2chg n THR 49 Cb 0.09 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2chg n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2chg n GLY 50 N 1.39 1.92 0.13 3.38 0.00 -1.26 -4.87 105.19 105.88 2chg n GLY 50 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2chg n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2chg h LYS 51 N 0.00 0.34 -0.26 1.61 1.57 -1.92 -0.78 116.57 117.13 2chg h LYS 51 Ca 0.00 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2chg h LYS 51 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2chg h LYS 51 CO 0.00 0.45 0.09 1.15 -0.57 0.00 0.00 179.45 180.58 2chg h THR 52 N 0.17 1.18 -0.72 -0.16 2.02 -1.99 -1.84 112.91 111.57 2chg h THR 52 Ca 0.07 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.74 2chg h THR 52 Cb 0.26 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 2chg h THR 52 CO -0.00 0.19 0.41 0.00 0.37 0.00 0.00 175.52 176.49 2chg h ALA 53 N 0.93 0.97 -0.15 6.16 0.00 -1.96 -1.73 119.26 123.48 2chg h ALA 53 Ca 0.09 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2chg h ALA 53 Cb 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2chg h ALA 53 CO -0.01 0.10 -0.67 0.00 0.00 0.00 0.00 179.25 178.67 2chg h THR 54 N 0.75 1.33 -0.39 0.00 1.03 -1.01 -1.19 112.91 113.43 2chg h THR 54 Ca 0.32 -1.96 0.08 0.00 -0.01 0.00 0.00 66.41 64.84 2chg h THR 54 Cb 0.20 1.94 -0.08 0.00 -1.07 0.00 0.00 68.15 69.13 2chg h THR 54 CO -0.18 0.61 -0.13 0.00 -0.01 0.00 0.00 175.52 175.80 2chg h ALA 55 N 0.83 0.20 -0.32 0.00 0.00 -1.02 0.62 119.26 119.57 2chg h ALA 55 Ca -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2chg h ALA 55 Cb 1.26 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 2chg h ALA 55 CO 0.13 -0.49 0.19 0.82 0.00 0.00 0.00 179.25 179.90 2chg h ILE 56 N -0.05 1.11 -0.77 0.00 2.04 -1.26 -0.51 117.51 118.08 2chg h ILE 56 Ca 0.19 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2chg h ILE 56 Cb 0.34 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2chg h ILE 56 CO -0.43 0.11 0.48 0.00 0.00 0.00 0.00 178.15 178.31 2chg h ALA 57 N 1.07 1.39 0.08 1.87 0.00 -0.75 -0.51 119.26 122.40 2chg h ALA 57 Ca 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2chg h ALA 57 Cb 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2chg h ALA 57 CO -0.02 0.54 -0.04 1.25 0.00 0.00 0.00 179.25 180.98 2chg h LEU 58 N 1.06 -0.09 -0.63 0.00 6.46 -0.57 -1.14 115.31 120.39 2chg h LEU 58 Ca 0.28 -0.24 0.13 0.00 -0.12 0.00 0.00 57.88 57.92 2chg h LEU 58 Cb -0.06 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 39.79 2chg h LEU 58 CO -0.05 0.20 0.08 0.00 -0.62 0.00 0.00 178.44 178.04 2chg h ALA 59 N 0.52 0.70 -0.24 1.25 0.00 -0.78 -0.17 119.26 120.54 2chg h ALA 59 Ca -0.01 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2chg h ALA 59 Cb 0.32 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2chg h ALA 59 CO 0.02 -0.35 -0.30 0.00 0.00 0.00 0.00 179.25 178.62 2chg h ARG 60 N 0.19 0.49 -0.26 0.00 3.08 -0.93 0.24 114.38 117.19 2chg h ARG 60 Ca 0.33 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 2chg h ARG 60 Cb 0.53 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2chg h ARG 60 CO -0.48 0.74 -0.22 -0.44 -1.07 0.00 0.00 179.97 178.51 2chg h ASP 61 N 0.43 0.63 -0.48 7.04 3.32 -0.67 -1.09 116.42 125.60 2chg h ASP 61 Ca 0.06 -0.46 -0.09 0.00 0.02 0.00 0.00 57.03 56.56 2chg h ASP 61 Cb 0.73 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2chg h ASP 61 CO 0.06 0.96 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.45 2chg h LEU 62 N 0.32 0.89 0.00 1.55 3.38 -0.92 -3.38 115.31 117.16 2chg h LEU 62 Ca 0.05 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2chg h LEU 62 Cb 0.76 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2chg h LEU 62 CO 0.06 0.96 -0.61 0.49 0.09 0.00 0.00 178.44 179.42 2chg n PHE 63 N -4.19 0.00 -2.44 1.13 0.99 0.06 -5.00 117.46 108.01 2chg n PHE 63 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 2chg n PHE 63 Cb 0.33 -0.04 0.00 0.00 -1.00 0.00 0.00 39.48 38.77 2chg n PHE 63 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2chg n GLY 64 N 1.36 3.03 0.00 1.37 0.00 -0.41 -2.22 105.19 108.32 2chg n GLY 64 Ca 0.01 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.90 2chg n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2chg n GLU 65 N 13.81 0.83 -0.42 1.61 1.02 -1.26 -2.36 120.64 133.86 2chg n GLU 65 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 2chg n GLU 65 Cb 0.00 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.15 2chg n GLU 65 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2chg n ASN 66 N -1.07 3.30 -0.15 1.62 5.03 -0.94 -4.67 115.26 118.38 2chg n ASN 66 Ca 0.21 -2.35 -0.08 0.00 0.87 0.00 0.00 54.58 53.23 2chg n ASN 66 Cb 0.14 -0.49 0.06 0.00 -1.02 0.00 0.00 39.78 38.47 2chg n ASN 66 CO 0.00 0.00 0.00 4.11 -1.83 0.00 0.00 177.26 179.54 2chg h TRP 67 N 2.48 1.03 -0.32 3.10 5.08 -1.59 -3.23 115.95 122.51 2chg h TRP 67 Ca 0.00 -0.20 -0.10 0.00 1.08 0.00 0.00 58.89 59.67 2chg h TRP 67 Cb 1.09 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 26.98 2chg h TRP 67 CO 0.52 0.97 -0.23 -0.09 -1.28 0.00 0.00 178.44 178.34 2chg h ARG 68 N 0.84 0.61 0.00 0.12 2.43 -1.87 -1.87 114.38 114.65 2chg h ARG 68 Ca 0.14 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2chg h ARG 68 Cb 0.63 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2chg h ARG 68 CO 0.04 0.80 0.00 -0.44 -1.51 0.00 0.00 179.97 178.86 2chg h ASP 69 N 0.54 0.00 -0.31 -3.80 3.45 -1.93 -3.27 116.42 111.10 2chg h ASP 69 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 2chg h ASP 69 Cb 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 2chg h ASP 69 CO 0.05 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.31 2chg n ASN 70 N -2.54 3.31 -3.82 6.45 3.02 -0.74 -4.78 115.26 116.16 2chg n ASN 70 Ca 0.04 -2.40 -0.14 0.00 -0.03 0.00 0.00 54.58 52.05 2chg n ASN 70 Cb 0.42 -0.35 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 2chg n ASN 70 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2chg s PHE 71 N -1.72 0.01 0.02 3.10 2.19 -1.00 -0.31 117.98 120.26 2chg s PHE 71 Ca 0.31 0.08 0.01 0.00 0.33 0.00 0.00 56.93 57.66 2chg s PHE 71 Cb 0.21 -0.12 -0.01 0.00 -1.31 0.00 0.00 43.02 41.78 2chg s PHE 71 CO 0.13 -0.05 -0.05 -1.50 1.83 0.00 0.00 175.22 175.58 2chg s ILE 72 N 0.57 0.33 -0.11 3.12 2.07 -0.72 -4.87 121.20 121.60 2chg s ILE 72 Ca -0.05 -0.58 -0.03 0.00 -1.41 0.00 0.00 60.65 58.58 2chg s ILE 72 Cb -0.07 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.13 2chg s ILE 72 CO -0.02 -0.17 0.02 -1.61 -1.91 0.00 0.00 174.94 171.25 2chg s GLU 73 N -0.80 3.24 0.03 3.50 2.02 -1.26 -0.73 118.70 124.70 2chg s GLU 73 Ca -0.05 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.55 2chg s GLU 73 Cb -0.06 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.25 2chg s GLU 73 CO -0.00 0.60 -0.04 -1.64 0.02 0.00 0.00 175.26 174.20 2chg s MET 74 N -0.59 0.38 -0.34 1.61 -1.94 0.36 -4.96 119.30 113.82 2chg s MET 74 Ca 0.10 -0.71 -0.17 0.00 -1.71 0.00 0.00 55.69 53.20 2chg s MET 74 Cb -0.12 0.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.77 2chg s MET 74 CO 0.02 -0.04 0.47 1.21 -0.01 0.00 0.00 175.02 176.67 2chg s ASN 75 N -1.65 6.29 0.58 3.03 3.84 -1.26 -0.50 114.94 125.25 2chg s ASN 75 Ca -0.12 -0.03 0.31 0.00 0.21 0.00 0.00 52.86 53.22 2chg s ASN 75 Cb -0.08 -2.25 1.78 0.00 -0.55 0.00 0.00 41.25 40.15 2chg s ASN 75 CO -0.02 -0.42 2.21 0.00 -2.79 0.00 0.00 177.10 176.09 2chg h ALA 76 N 8.42 1.39 -0.96 1.71 0.00 -1.23 -3.03 119.26 125.56 2chg h ALA 76 Ca -0.29 -0.03 -0.72 0.00 0.00 0.00 0.00 54.91 53.87 2chg h ALA 76 Cb 1.13 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.65 2chg h ALA 76 CO 0.74 0.04 0.96 -1.13 0.00 0.00 0.00 179.25 179.87 2chg n SER 77 N -3.70 7.50 -4.75 0.00 3.41 -1.26 -4.78 113.62 110.04 2chg n SER 77 Ca -0.03 -3.77 -0.41 0.00 -0.26 0.00 0.00 58.87 54.40 2chg n SER 77 Cb 0.13 -1.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.00 2chg n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2chg s ASP 78 N -1.17 6.77 0.50 4.04 -1.08 -1.15 -4.93 116.67 119.64 2chg s ASP 78 Ca 0.56 2.60 0.26 0.00 -0.52 0.00 0.00 52.55 55.44 2chg s ASP 78 Cb 0.45 -2.63 1.29 0.00 -1.46 0.00 0.00 42.92 40.57 2chg s ASP 78 CO -0.29 -0.59 2.00 -0.33 0.52 0.00 0.00 175.17 176.48 2chg h GLU 79 N 4.55 0.00 0.00 4.34 5.08 -1.94 -1.42 114.58 125.20 2chg h GLU 79 Ca -0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2chg h GLU 79 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2chg h GLU 79 CO 0.73 0.16 -0.03 0.00 -1.00 0.00 0.00 179.01 178.87 2chg h ARG 80 N 0.00 0.00 0.00 2.33 -0.00 -2.00 -3.48 114.38 111.23 2chg h ARG 80 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2chg h ARG 80 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.42 2chg h ARG 80 CO 0.02 0.03 0.00 0.41 0.00 0.00 0.00 179.97 180.43 2chg n GLY 81 N -0.60 2.53 0.38 0.04 0.00 -0.53 -4.64 105.19 102.37 2chg n GLY 81 Ca -0.01 -1.95 0.20 0.00 0.00 0.00 0.00 46.02 44.25 2chg n GLY 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2chg h ILE 82 N 0.00 0.44 -0.70 -0.61 6.09 -1.86 -1.40 117.51 119.47 2chg h ILE 82 Ca 0.00 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.43 2chg h ILE 82 Cb 0.00 0.68 -0.03 0.00 0.47 0.00 0.00 36.82 37.95 2chg h ILE 82 CO 0.00 0.00 0.19 0.44 -3.07 0.00 0.00 178.15 175.71 2chg h ASP 83 N 0.00 1.04 -0.40 2.19 3.32 -1.98 0.12 116.42 120.72 2chg h ASP 83 Ca 0.19 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 2chg h ASP 83 Cb 1.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2chg h ASP 83 CO -0.00 0.99 -0.07 0.58 -1.72 0.00 0.00 179.24 179.02 2chg h VAL 84 N 1.04 1.27 -0.58 -1.35 2.07 -1.52 0.79 116.25 117.98 2chg h VAL 84 Ca 0.22 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2chg h VAL 84 Cb 0.34 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2chg h VAL 84 CO -0.00 0.38 0.38 0.58 0.02 0.00 0.00 177.57 178.93 2chg h VAL 85 N 0.57 1.15 -0.79 2.57 2.07 -1.48 -0.02 116.25 120.32 2chg h VAL 85 Ca 0.10 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2chg h VAL 85 Cb 0.58 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2chg h VAL 85 CO 0.03 0.15 0.42 -0.09 0.02 0.00 0.00 177.57 178.11 2chg h ARG 86 N 0.78 1.10 -0.44 1.57 2.43 -0.72 -0.07 114.38 119.03 2chg h ARG 86 Ca 0.21 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2chg h ARG 86 Cb -0.08 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.24 2chg h ARG 86 CO -0.04 0.81 0.04 1.25 -1.51 0.00 0.00 179.97 180.52 2chg h HIS 87 N 1.10 0.81 -0.82 2.20 2.76 -0.23 -1.76 115.15 119.21 2chg h HIS 87 Ca 0.28 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2chg h HIS 87 Cb 0.04 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 2chg h HIS 87 CO 0.01 0.78 0.43 0.87 -1.30 0.00 0.00 177.93 178.72 2chg h LYS 88 N 0.60 1.17 0.32 5.26 1.57 -0.31 -0.75 116.57 124.42 2chg h LYS 88 Ca 0.13 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2chg h LYS 88 Cb 0.43 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2chg h LYS 88 CO 0.01 0.88 -0.23 0.82 -0.57 0.00 0.00 179.45 180.36 2chg h ILE 89 N 1.16 0.51 -0.69 1.86 2.04 -0.95 -1.98 117.51 119.45 2chg h ILE 89 Ca 0.29 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.30 2chg h ILE 89 Cb 0.07 0.51 -0.11 0.00 -0.74 0.00 0.00 36.82 36.55 2chg h ILE 89 CO -0.04 0.00 0.07 0.50 0.00 0.00 0.00 178.15 178.68 2chg h LYS 90 N -0.55 0.17 -0.31 2.37 3.64 -0.99 -0.12 116.57 120.78 2chg h LYS 90 Ca -0.03 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2chg h LYS 90 Cb 0.47 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2chg h LYS 90 CO 0.00 0.11 -0.02 0.93 -2.27 0.00 0.00 179.45 178.20 2chg h GLU 91 N 0.17 0.48 -0.02 1.90 4.39 -1.00 -2.16 114.58 118.34 2chg h GLU 91 Ca 0.38 -0.10 -0.22 0.00 0.34 0.00 0.00 59.36 59.75 2chg h GLU 91 Cb 0.64 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2chg h GLU 91 CO -0.55 0.52 -0.91 0.35 -1.16 0.00 0.00 179.01 177.27 2chg h PHE 92 N 0.46 0.63 -0.01 4.33 3.57 -0.47 -3.27 116.94 122.17 2chg h PHE 92 Ca 0.10 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2chg h PHE 92 Cb 0.34 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2chg h PHE 92 CO 0.01 1.14 -0.12 0.00 -2.23 0.00 0.00 178.31 177.11 2chg n ALA 93 N -2.54 2.80 1.31 2.41 0.00 -0.17 -4.01 120.51 120.32 2chg n ALA 93 Ca -0.06 -0.32 0.14 0.00 0.00 0.00 0.00 53.44 53.19 2chg n ALA 93 Cb 0.81 -1.27 0.56 0.00 0.00 0.00 0.00 19.45 19.55 2chg n ALA 93 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2chg n ARG 94 N -0.70 0.56 -4.16 0.00 -4.01 -0.83 -4.73 116.66 102.80 2chg n ARG 94 Ca 0.15 -0.21 -0.27 0.00 -1.04 0.00 0.00 57.85 56.49 2chg n ARG 94 Cb 0.29 -1.50 -0.07 0.00 -3.04 0.00 0.00 32.46 28.15 2chg n ARG 94 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 2chg s THR 95 N -2.58 3.99 0.63 8.89 -4.23 -1.26 -5.12 115.64 115.97 2chg s THR 95 Ca 0.25 -1.29 -0.16 0.00 -1.18 0.00 0.00 61.69 59.31 2chg s THR 95 Cb 0.20 -3.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 2chg s THR 95 CO 0.51 -0.10 1.11 0.00 -0.54 0.00 0.00 174.62 175.60 2chg s ALA 96 N -1.72 2.53 0.79 3.99 0.00 -1.26 -4.98 121.76 121.12 2chg s ALA 96 Ca 0.29 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 2chg s ALA 96 Cb -0.10 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2chg s ALA 96 CO 0.20 -1.14 0.33 -2.30 0.00 0.00 0.00 175.76 172.85 2chg n PRO 97 N -2.13 0.11 -4.18 0.00 -0.02 -1.26 -4.95 135.00 122.57 2chg n PRO 97 Ca 0.11 0.07 -0.33 0.00 -2.02 0.00 0.00 63.50 61.33 2chg n PRO 97 Cb 0.52 -1.71 -0.08 0.00 -0.02 0.00 0.00 33.50 32.21 2chg n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2chg s ILE 98 N -2.05 4.52 -0.84 4.25 1.01 -1.26 -4.57 121.20 122.26 2chg s ILE 98 Ca 0.60 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2chg s ILE 98 Cb -0.31 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2chg s ILE 98 CO 0.63 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.57 2chg n GLY 99 N 1.37 0.93 0.33 6.18 0.00 -1.26 -2.68 105.19 110.05 2chg n GLY 99 Ca -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2chg n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2chg n GLY 100 N -1.16 0.81 3.77 -0.02 0.00 -1.26 -5.03 105.19 102.30 2chg n GLY 100 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2chg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2chg s ALA 101 N -2.09 3.37 0.16 4.61 0.00 -1.09 -4.92 121.76 121.80 2chg s ALA 101 Ca 0.00 1.45 0.23 0.00 0.00 0.00 0.00 51.96 53.64 2chg s ALA 101 Cb 0.00 -3.57 0.92 0.00 0.00 0.00 0.00 23.12 20.47 2chg s ALA 101 CO 0.00 -1.05 1.83 -1.00 0.00 0.00 0.00 175.76 175.54 2chg h PRO 102 N 2.67 0.00 -2.90 0.00 0.13 -1.94 -3.43 132.00 126.53 2chg h PRO 102 Ca -0.51 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2chg h PRO 102 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2chg h PRO 102 CO 0.63 0.24 0.32 -0.59 -0.23 0.00 0.00 178.00 178.37 2chg s PHE 103 N -3.69 0.05 0.12 1.56 -0.12 -1.26 -4.93 117.98 109.71 2chg s PHE 103 Ca 0.00 -0.64 0.07 0.00 -0.05 0.00 0.00 56.93 56.31 2chg s PHE 103 Cb 0.11 0.79 -0.04 0.00 -0.63 0.00 0.00 43.02 43.25 2chg s PHE 103 CO 0.64 -1.39 -0.06 0.15 -0.05 0.00 0.00 175.22 174.51 2chg s LYS 104 N -2.59 2.25 -0.12 1.99 1.02 -0.60 -4.86 119.74 116.83 2chg s LYS 104 Ca 0.16 -1.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.12 2chg s LYS 104 Cb -0.05 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2chg s LYS 104 CO 0.09 0.50 -0.08 0.42 -0.92 0.00 0.00 175.35 175.36 2chg s ILE 105 N -1.34 3.49 -0.23 2.17 1.01 0.58 -0.11 121.20 126.76 2chg s ILE 105 Ca 0.23 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 2chg s ILE 105 Cb -0.11 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2chg s ILE 105 CO 0.16 0.53 -0.05 -0.63 0.00 0.00 0.00 174.94 174.94 2chg s ILE 106 N 0.08 3.18 -0.34 2.92 1.01 0.37 -1.76 121.20 126.66 2chg s ILE 106 Ca -0.03 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 2chg s ILE 106 Cb -0.14 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 2chg s ILE 106 CO 0.04 0.36 0.34 0.12 0.00 0.00 0.00 174.94 175.79 2chg s PHE 107 N 1.43 3.21 -0.36 3.97 5.36 0.10 -0.45 117.98 131.24 2chg s PHE 107 Ca 0.04 -0.03 -0.07 0.00 -0.96 0.00 0.00 56.93 55.92 2chg s PHE 107 Cb -0.15 -2.63 0.05 0.00 -0.34 0.00 0.00 43.02 39.96 2chg s PHE 107 CO -0.04 -0.40 0.14 -0.51 -1.46 0.00 0.00 175.22 172.95 2chg s LEU 108 N 1.97 4.57 0.40 6.12 1.43 0.13 -0.48 118.68 132.81 2chg s LEU 108 Ca 0.11 -1.30 -0.23 0.00 -1.03 0.00 0.00 54.13 51.68 2chg s LEU 108 Cb -0.17 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.07 2chg s LEU 108 CO 0.11 -0.39 0.97 -0.62 0.23 0.00 0.00 176.35 176.65 2chg s ASP 109 N 1.59 6.99 -1.32 2.29 2.15 0.34 -1.33 116.67 127.38 2chg s ASP 109 Ca 0.00 1.81 -0.04 0.00 0.43 0.00 0.00 52.55 54.75 2chg s ASP 109 Cb -0.21 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 39.87 2chg s ASP 109 CO 0.02 -0.32 0.92 -0.62 -0.17 0.00 0.00 175.17 175.00 2chg n GLU 110 N -0.21 -6.07 0.22 4.34 1.02 -0.99 -0.85 120.64 118.11 2chg n GLU 110 Ca 0.05 0.72 0.07 0.00 -0.02 0.00 0.00 57.16 57.98 2chg n GLU 110 Cb 0.52 -5.56 0.51 0.00 -0.02 0.00 0.00 31.44 26.89 2chg n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2chg h ALA 111 N 0.92 1.39 0.00 0.62 0.00 -1.01 -2.57 119.26 118.61 2chg h ALA 111 Ca -0.59 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2chg h ALA 111 Cb 1.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2chg h ALA 111 CO 0.56 0.30 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 2chg n ASP 112 N -3.94 0.00 -0.00 0.00 3.85 -1.26 -2.27 116.55 112.93 2chg n ASP 112 Ca -0.02 -0.62 0.14 0.00 -0.71 0.00 0.00 54.79 53.58 2chg n ASP 112 Cb 0.32 -0.07 0.55 0.00 -1.35 0.00 0.00 41.12 40.57 2chg n ASP 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2chg n ALA 113 N -1.07 2.59 -1.80 2.12 0.00 -0.97 -4.86 120.51 116.53 2chg n ALA 113 Ca 0.17 -0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 2chg n ALA 113 Cb 0.11 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.11 2chg n ALA 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2chg s LEU 114 N -2.99 4.02 0.74 0.00 1.43 -0.96 -4.99 118.68 115.92 2chg s LEU 114 Ca 0.14 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 2chg s LEU 114 Cb 0.19 -4.39 0.03 0.00 0.03 0.00 0.00 46.19 42.05 2chg s LEU 114 CO 0.56 -0.46 1.08 0.42 0.23 0.00 0.00 176.35 178.18 2chg s THR 115 N -1.93 3.64 0.38 5.49 -4.23 -1.26 -4.84 115.64 112.89 2chg s THR 115 Ca 0.61 0.54 0.09 0.00 -1.18 0.00 0.00 61.69 61.74 2chg s THR 115 Cb -0.15 -3.13 0.31 0.00 1.34 0.00 0.00 72.50 70.86 2chg s THR 115 CO 0.19 -0.69 1.95 0.00 -0.54 0.00 0.00 174.62 175.53 2chg h ALA 116 N -0.93 1.83 0.13 3.99 0.00 -1.97 -1.07 119.26 121.24 2chg h ALA 116 Ca -0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2chg h ALA 116 Cb 1.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2chg h ALA 116 CO 0.54 0.03 -0.15 -0.44 0.00 0.00 0.00 179.25 179.23 2chg h ASP 117 N 0.63 -0.42 -1.10 0.00 3.45 -2.00 -2.51 116.42 114.47 2chg h ASP 117 Ca 0.33 0.04 0.31 0.00 0.43 0.00 0.00 57.03 58.13 2chg h ASP 117 Cb 0.43 0.14 -0.11 0.00 -0.56 0.00 0.00 39.33 39.24 2chg h ASP 117 CO -0.11 -0.19 0.70 0.00 -1.57 0.00 0.00 179.24 178.07 2chg h ALA 118 N -1.47 2.31 0.00 3.45 0.00 -1.80 0.15 119.26 121.90 2chg h ALA 118 Ca -0.02 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2chg h ALA 118 Cb 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2chg h ALA 118 CO -0.03 -0.79 -0.49 1.96 0.00 0.00 0.00 179.25 179.90 2chg h GLN 119 N 0.32 0.00 -0.21 0.00 4.20 -1.12 -0.78 115.11 117.52 2chg h GLN 119 Ca 0.67 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 59.21 2chg h GLN 119 Cb 1.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.56 2chg h GLN 119 CO -0.37 0.49 -0.54 0.00 -0.67 0.00 0.00 178.83 177.75 2chg h ALA 120 N 1.51 0.35 0.63 3.87 0.00 -0.27 -1.55 119.26 123.81 2chg h ALA 120 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2chg h ALA 120 Cb 0.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2chg h ALA 120 CO 0.06 0.56 -0.41 0.00 0.00 0.00 0.00 179.25 179.47 2chg h ALA 121 N 0.61 -1.02 -0.88 0.00 0.00 -1.23 -2.80 119.26 113.93 2chg h ALA 121 Ca -0.01 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.92 2chg h ALA 121 Cb 1.15 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 19.33 2chg h ALA 121 CO 0.12 -1.09 0.37 1.25 0.00 0.00 0.00 179.25 179.90 2chg h LEU 122 N -0.99 0.31 -2.09 0.00 5.85 -1.20 0.19 115.31 117.38 2chg h LEU 122 Ca -0.08 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2chg h LEU 122 Cb 0.81 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 2chg h LEU 122 CO 0.07 0.01 0.10 -0.09 -0.34 0.00 0.00 178.44 178.18 2chg h ARG 123 N 0.40 0.00 -0.08 1.25 2.43 -1.03 -0.63 114.38 116.73 2chg h ARG 123 Ca 0.54 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.68 2chg h ARG 123 Cb 1.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2chg h ARG 123 CO -0.52 0.00 -0.06 0.00 -1.51 0.00 0.00 179.97 177.88 2chg h ARG 124 N 0.00 0.18 -0.89 0.20 3.08 -0.72 -2.19 114.38 114.04 2chg h ARG 124 Ca 0.06 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2chg h ARG 124 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2chg h ARG 124 CO -0.00 0.59 0.59 1.15 -1.07 0.00 0.00 179.97 181.23 2chg h THR 125 N -0.24 1.22 -0.78 2.04 2.02 -1.23 0.14 112.91 116.08 2chg h THR 125 Ca 0.01 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.83 2chg h THR 125 Cb 0.56 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 2chg h THR 125 CO 0.02 0.22 0.49 0.24 0.37 0.00 0.00 175.52 176.85 2chg h MET 126 N 1.19 0.90 -0.28 6.66 2.86 -1.09 -2.37 114.93 122.81 2chg h MET 126 Ca 0.33 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.85 2chg h MET 126 Cb -0.13 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.32 2chg h MET 126 CO -0.07 0.60 -0.06 0.93 1.06 0.00 0.00 176.91 179.36 2chg h GLU 127 N 0.93 0.54 -0.81 1.72 4.39 -0.72 -2.72 114.58 117.90 2chg h GLU 127 Ca 0.32 -0.20 0.18 0.00 0.34 0.00 0.00 59.36 60.00 2chg h GLU 127 Cb 0.07 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.58 2chg h GLU 127 CO -0.14 0.74 0.30 1.98 -1.16 0.00 0.00 179.01 180.73 2chg h MET 128 N 0.30 0.36 -0.35 2.33 4.05 -0.35 -3.04 114.93 118.23 2chg h MET 128 Ca 0.07 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2chg h MET 128 Cb 0.54 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 2chg h MET 128 CO 0.03 0.24 0.00 0.66 0.23 0.00 0.00 176.91 178.07 2chg n TYR 129 N -5.07 0.46 0.07 1.39 4.02 -0.93 -4.72 117.16 112.38 2chg n TYR 129 Ca 0.18 -0.41 0.21 0.00 -0.01 0.00 0.00 57.90 57.86 2chg n TYR 129 Cb 0.53 -0.02 0.74 0.00 -0.02 0.00 0.00 39.34 40.57 2chg n TYR 129 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2chg h SER 130 N 2.47 0.00 0.72 7.72 0.02 -1.36 0.18 113.55 123.30 2chg h SER 130 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2chg h SER 130 Cb 0.74 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2chg h SER 130 CO 0.00 0.00 -0.82 0.11 -1.14 0.00 0.00 176.83 174.98 2chg h LYS 131 N 0.00 0.07 0.00 3.45 1.57 -1.85 -3.39 116.57 116.42 2chg h LYS 131 Ca 0.22 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2chg h LYS 131 Cb 1.13 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2chg h LYS 131 CO -0.00 0.85 -1.46 -1.13 -0.57 0.00 0.00 179.45 177.14 2chg n SER 132 N -3.62 3.01 -4.20 0.86 3.41 0.31 -4.94 113.62 108.45 2chg n SER 132 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.38 2chg n SER 132 Cb 0.78 1.13 -0.13 0.00 -0.26 0.00 0.00 64.21 65.73 2chg n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2chg s ARG 134 N -1.44 2.88 -0.15 0.00 1.81 0.84 -4.24 118.95 118.65 2chg s ARG 134 Ca 0.03 -0.53 -0.06 0.00 -1.72 0.00 0.00 55.73 53.44 2chg s ARG 134 Cb -0.09 -2.64 -0.04 0.00 -0.45 0.00 0.00 34.95 31.73 2chg s ARG 134 CO 0.02 0.62 0.07 -0.06 -0.68 0.00 0.00 175.30 175.27 2chg s PHE 135 N -0.67 3.32 -0.23 -0.53 0.40 -1.26 -0.48 117.98 118.52 2chg s PHE 135 Ca 0.10 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.65 2chg s PHE 135 Cb -0.11 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.45 2chg s PHE 135 CO 0.02 0.35 -0.12 0.42 0.70 0.00 0.00 175.22 176.59 2chg s ILE 136 N -0.18 2.41 -0.09 0.64 1.01 0.41 -0.61 121.20 124.78 2chg s ILE 136 Ca 0.08 -1.18 -0.04 0.00 0.00 0.00 0.00 60.65 59.51 2chg s ILE 136 Cb -0.12 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2chg s ILE 136 CO 0.01 0.24 0.08 -0.76 0.00 0.00 0.00 174.94 174.51 2chg s LEU 137 N 1.25 4.01 -0.06 2.97 1.43 -0.15 -0.70 118.68 127.43 2chg s LEU 137 Ca -0.01 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 2chg s LEU 137 Cb -0.17 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 2chg s LEU 137 CO -0.07 0.38 -0.19 -0.55 0.23 0.00 0.00 176.35 176.14 2chg s SER 138 N -1.08 3.56 0.11 2.29 0.15 -0.44 -0.25 113.70 118.04 2chg s SER 138 Ca 0.16 -0.37 -0.08 0.00 0.70 0.00 0.00 55.95 56.36 2chg s SER 138 Cb -0.12 -0.90 -0.01 0.00 -1.71 0.00 0.00 66.02 63.29 2chg s SER 138 CO 0.05 0.28 0.20 0.00 1.20 0.00 0.00 173.24 174.97 2chg h ASN 140 N 2.71 0.58 -3.85 0.00 -0.26 -1.86 -1.22 115.58 111.69 2chg h ASN 140 Ca -0.33 -0.88 -0.39 0.00 -0.56 0.00 0.00 56.30 54.13 2chg h ASN 140 Cb 1.20 -0.19 -0.30 0.00 -1.06 0.00 0.00 38.32 37.97 2chg h ASN 140 CO 0.55 1.75 -0.78 -0.31 -1.06 0.00 0.00 177.43 177.58 2chg s TYR 141 N -2.58 0.77 0.29 1.19 1.51 -1.26 -3.27 117.35 113.99 2chg s TYR 141 Ca -0.15 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 2chg s TYR 141 Cb 0.06 -0.55 0.41 0.00 -0.11 0.00 0.00 41.96 41.77 2chg s TYR 141 CO 0.85 -0.07 1.96 0.28 -1.11 0.00 0.00 175.55 177.46 2chg h VAL 142 N 5.29 1.22 -0.01 0.71 2.07 -1.96 -2.27 116.25 121.31 2chg h VAL 142 Ca -0.32 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2chg h VAL 142 Cb 1.17 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2chg h VAL 142 CO 0.49 0.22 0.18 0.77 0.02 0.00 0.00 177.57 179.25 2chg h SER 143 N 1.15 0.00 -0.29 0.57 4.64 -2.01 0.53 113.55 118.14 2chg h SER 143 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2chg h SER 143 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2chg h SER 143 CO -0.07 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.43 2chg n ARG 144 N -3.00 1.76 -4.57 4.77 3.00 -0.85 -4.81 116.66 112.96 2chg n ARG 144 Ca -0.02 -1.18 -0.33 0.00 -0.01 0.00 0.00 57.85 56.31 2chg n ARG 144 Cb 0.24 -1.30 -0.16 0.00 0.00 0.00 0.00 32.46 31.25 2chg n ARG 144 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2chg s ILE 145 N -1.61 2.50 0.60 0.55 -1.09 0.18 -4.72 121.20 117.60 2chg s ILE 145 Ca 0.25 -0.83 -0.19 0.00 -2.23 0.00 0.00 60.65 57.66 2chg s ILE 145 Cb 0.13 -2.04 -0.05 0.00 -1.58 0.00 0.00 42.46 38.92 2chg s ILE 145 CO 0.18 0.52 0.98 2.30 -1.23 0.00 0.00 174.94 177.69 2chg n ILE 146 N 4.06 3.67 -0.22 2.92 -5.35 -1.26 -4.75 119.36 118.42 2chg n ILE 146 Ca -0.19 -0.50 -0.05 0.00 -0.27 0.00 0.00 62.75 61.73 2chg n ILE 146 Cb 0.52 -1.16 0.05 0.00 -1.74 0.00 0.00 39.64 37.30 2chg n ILE 146 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2chg h GLU 147 N 0.54 0.82 -0.76 6.28 4.22 -1.97 -2.66 114.58 121.06 2chg h GLU 147 Ca -0.48 -0.05 0.17 0.00 0.08 0.00 0.00 59.36 59.08 2chg h GLU 147 Cb 1.36 -0.19 -0.12 0.00 0.50 0.00 0.00 28.75 30.31 2chg h GLU 147 CO 0.51 0.54 0.17 -1.35 -2.18 0.00 0.00 179.01 176.70 2chg h PRO 148 N 0.85 0.24 0.12 0.92 0.11 -1.99 -0.32 132.00 131.92 2chg h PRO 148 Ca 0.24 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 2chg h PRO 148 Cb -0.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 30.98 2chg h PRO 148 CO -0.06 0.16 -0.06 0.82 -0.21 0.00 0.00 178.00 178.65 2chg h ILE 149 N 0.25 1.02 -0.54 4.15 2.04 -1.87 -3.20 117.51 119.36 2chg h ILE 149 Ca 0.43 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.82 2chg h ILE 149 Cb 0.76 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 38.14 2chg h ILE 149 CO -0.54 0.14 0.11 1.56 0.00 0.00 0.00 178.15 179.42 2chg h GLN 150 N -0.42 0.24 0.00 2.37 4.20 -1.06 -0.07 115.11 120.37 2chg h GLN 150 Ca -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2chg h GLN 150 Cb 0.34 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2chg h GLN 150 CO 0.03 0.16 -0.03 0.66 -0.67 0.00 0.00 178.83 178.97 2chg h SER 151 N 0.25 0.00 0.03 1.46 4.64 -1.13 -1.63 113.55 117.17 2chg h SER 151 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2chg h SER 151 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2chg h SER 151 CO -0.36 0.03 -0.06 0.54 -0.87 0.00 0.00 176.83 176.11 2chg n ARG 152 N -3.40 1.57 -4.36 4.77 5.12 -0.06 -4.93 116.66 115.39 2chg n ARG 152 Ca -0.02 -1.00 -0.29 0.00 -1.93 0.00 0.00 57.85 54.61 2chg n ARG 152 Cb 0.15 -1.48 -0.12 0.00 -1.16 0.00 0.00 32.46 29.85 2chg n ARG 152 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2chg s ALA 154 N -1.18 3.28 -0.16 0.00 0.00 -0.19 -4.89 121.76 118.63 2chg s ALA 154 Ca 0.17 0.47 -0.07 0.00 0.00 0.00 0.00 51.96 52.53 2chg s ALA 154 Cb -0.10 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2chg s ALA 154 CO 0.08 -0.01 0.08 0.08 0.00 0.00 0.00 175.76 176.00 2chg s VAL 155 N 0.06 5.01 -0.11 0.00 1.01 -1.26 -0.74 120.40 124.36 2chg s VAL 155 Ca 0.44 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2chg s VAL 155 Cb -0.22 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 32.96 2chg s VAL 155 CO 0.27 0.52 -0.07 -0.36 0.00 0.00 0.00 175.10 175.46 2chg s PHE 156 N -0.15 1.43 -0.30 5.22 0.40 0.81 -4.95 117.98 120.44 2chg s PHE 156 Ca 0.08 -0.71 -0.10 0.00 -0.60 0.00 0.00 56.93 55.60 2chg s PHE 156 Cb -0.12 -1.20 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 2chg s PHE 156 CO 0.01 -0.51 0.15 1.03 0.70 0.00 0.00 175.22 176.60 2chg s ARG 157 N 1.73 3.41 0.06 0.44 0.52 -1.26 -0.54 118.95 123.30 2chg s ARG 157 Ca 0.05 -0.67 -0.20 0.00 -0.52 0.00 0.00 55.73 54.39 2chg s ARG 157 Cb -0.13 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.72 2chg s ARG 157 CO -0.08 -0.38 0.58 -0.06 0.02 0.00 0.00 175.30 175.38 2chg s PHE 158 N 1.63 3.79 0.18 -0.53 0.40 0.27 -4.84 117.98 118.87 2chg s PHE 158 Ca 0.05 1.27 0.08 0.00 -0.60 0.00 0.00 56.93 57.73 2chg s PHE 158 Cb -0.17 -2.52 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 2chg s PHE 158 CO 0.06 0.55 -0.03 0.15 0.70 0.00 0.00 175.22 176.65 2chg s LYS 159 N -0.96 2.30 0.24 0.44 -0.14 -1.26 -4.17 119.74 116.19 2chg s LYS 159 Ca 0.29 -1.15 -0.31 0.00 -1.36 0.00 0.00 55.97 53.44 2chg s LYS 159 Cb -0.19 -2.30 -0.14 0.00 -1.68 0.00 0.00 37.83 33.52 2chg s LYS 159 CO 0.19 0.45 1.20 -2.30 -0.76 0.00 0.00 175.35 174.13 2chg n PRO 160 N -0.06 1.55 -2.52 -1.68 -0.02 -1.26 -4.90 135.00 126.10 2chg n PRO 160 Ca -0.10 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 2chg n PRO 160 Cb 0.55 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 2chg n PRO 160 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2chg s VAL 161 N -0.45 4.33 0.52 -1.45 0.11 -1.26 -5.00 120.40 117.19 2chg s VAL 161 Ca 0.66 1.67 -0.18 0.00 -2.93 0.00 0.00 61.98 61.20 2chg s VAL 161 Cb -0.73 -4.07 -0.07 0.00 -1.53 0.00 0.00 36.38 29.98 2chg s VAL 161 CO 0.54 0.12 1.03 -2.84 -3.33 0.00 0.00 175.10 170.63 2chg s PRO 162 N 1.13 3.69 0.30 1.54 0.02 -1.26 -4.87 135.00 135.54 2chg s PRO 162 Ca 0.56 1.25 0.03 0.00 0.02 0.00 0.00 61.00 62.86 2chg s PRO 162 Cb -0.26 -2.09 0.75 0.00 0.02 0.00 0.00 34.50 32.93 2chg s PRO 162 CO 0.28 -0.51 1.62 -0.22 -0.33 0.00 0.00 177.00 177.84 2chg h LYS 163 N 1.15 0.13 -0.72 5.54 3.64 -2.00 -1.67 116.57 122.63 2chg h LYS 163 Ca -0.48 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 2chg h LYS 163 Cb 1.21 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2chg h LYS 163 CO 0.59 0.08 0.20 0.93 -2.27 0.00 0.00 179.45 178.98 2chg h GLU 164 N 0.13 1.13 -0.35 1.90 3.07 -1.99 -1.26 114.58 117.21 2chg h GLU 164 Ca 0.58 -0.26 -0.17 0.00 -0.50 0.00 0.00 59.36 59.01 2chg h GLU 164 Cb 1.21 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2chg h GLU 164 CO -0.74 0.98 -0.44 0.00 -1.40 0.00 0.00 179.01 177.41 2chg h ALA 165 N 1.13 0.53 0.02 3.43 0.00 -1.69 -1.28 119.26 121.40 2chg h ALA 165 Ca 0.23 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2chg h ALA 165 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2chg h ALA 165 CO -0.00 0.67 -0.01 1.98 0.00 0.00 0.00 179.25 181.89 2chg h MET 166 N 0.73 -0.02 -0.60 0.00 1.85 -1.14 -2.70 114.93 113.04 2chg h MET 166 Ca 0.04 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.23 2chg h MET 166 Cb 1.04 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 33.00 2chg h MET 166 CO 0.10 0.07 0.21 -0.22 -0.40 0.00 0.00 176.91 176.67 2chg h LYS 167 N -0.11 0.37 -0.55 0.39 3.64 -1.17 0.07 116.57 119.20 2chg h LYS 167 Ca -0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2chg h LYS 167 Cb 0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2chg h LYS 167 CO 0.00 0.24 0.32 -0.22 -2.27 0.00 0.00 179.45 177.52 2chg h LYS 168 N 0.38 0.76 -0.30 1.90 3.64 -1.15 -1.50 116.57 120.29 2chg h LYS 168 Ca 0.30 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 2chg h LYS 168 Cb 0.38 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2chg h LYS 168 CO -0.32 0.57 -0.33 -0.09 -2.27 0.00 0.00 179.45 177.01 2chg h ARG 169 N 0.74 0.76 -0.87 1.90 9.65 -1.10 -2.20 114.38 123.26 2chg h ARG 169 Ca 0.20 -0.41 0.04 0.00 -1.10 0.00 0.00 59.98 58.70 2chg h ARG 169 Cb 0.02 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 2chg h ARG 169 CO -0.03 1.04 0.55 -0.07 2.80 0.00 0.00 179.97 184.26 2chg h LEU 170 N 0.52 0.91 -0.94 3.80 3.38 -0.91 -1.68 115.31 120.39 2chg h LEU 170 Ca 0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2chg h LEU 170 Cb 0.91 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2chg h LEU 170 CO 0.08 0.61 0.32 -0.07 0.09 0.00 0.00 178.44 179.47 2chg h LEU 171 N 1.06 0.99 -0.86 1.67 3.38 -1.20 -1.35 115.31 118.99 2chg h LEU 171 Ca 0.35 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2chg h LEU 171 Cb 0.05 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 2chg h LEU 171 CO -0.13 0.87 0.57 -0.33 0.09 0.00 0.00 178.44 179.50 2chg h GLU 172 N 1.07 1.09 -0.46 1.13 5.08 -0.83 -1.54 114.58 120.12 2chg h GLU 172 Ca 0.25 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2chg h GLU 172 Cb 0.17 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2chg h GLU 172 CO -0.03 0.72 0.06 0.82 -1.00 0.00 0.00 179.01 179.59 2chg h ILE 173 N 1.13 1.25 -0.73 3.13 2.04 -1.13 -2.26 117.51 120.94 2chg h ILE 173 Ca 0.33 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.33 2chg h ILE 173 Cb -0.06 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 2chg h ILE 173 CO -0.09 0.33 0.39 0.00 0.00 0.00 0.00 178.15 178.78 2chg h GLU 175 N 0.68 0.09 -0.25 0.00 4.39 -1.12 0.25 114.58 118.61 2chg h GLU 175 Ca 0.35 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.05 2chg h GLU 175 Cb 0.31 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2chg h GLU 175 CO -0.24 0.09 0.17 0.87 -1.16 0.00 0.00 179.01 178.74 2chg h LYS 176 N 0.06 0.30 -0.18 2.33 6.56 -1.00 -2.76 116.57 121.87 2chg h LYS 176 Ca 0.02 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2chg h LYS 176 Cb 0.02 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 2chg h LYS 176 CO -0.00 0.20 0.00 0.39 -2.06 0.00 0.00 179.45 177.97 2chg n GLU 177 N -4.50 2.34 -3.25 3.15 -0.58 -0.65 -4.95 120.64 112.20 2chg n GLU 177 Ca 0.01 -2.05 -0.22 0.00 -0.42 0.00 0.00 57.16 54.48 2chg n GLU 177 Cb 0.10 -1.47 0.05 0.00 -0.57 0.00 0.00 31.44 29.56 2chg n GLU 177 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2chg n GLY 178 N 1.38 -0.45 3.76 0.62 0.00 -0.07 -4.99 105.19 105.45 2chg n GLY 178 Ca 0.16 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 2chg n GLY 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2chg s VAL 179 N -3.22 5.16 -0.19 1.61 1.01 0.69 -5.00 120.40 120.45 2chg s VAL 179 Ca 0.42 0.82 -0.09 0.00 0.00 0.00 0.00 61.98 63.14 2chg s VAL 179 Cb -0.19 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2chg s VAL 179 CO 0.52 0.43 0.10 -0.54 0.00 0.00 0.00 175.10 175.61 2chg s LYS 180 N -0.00 4.08 -0.08 2.72 1.02 -0.55 -4.49 119.74 122.43 2chg s LYS 180 Ca 0.23 -0.28 0.05 0.00 0.02 0.00 0.00 55.97 55.98 2chg s LYS 180 Cb -0.15 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2chg s LYS 180 CO 0.10 0.27 -0.23 -1.50 -0.92 0.00 0.00 175.35 173.07 2chg s ILE 181 N 0.42 1.92 0.82 2.17 2.07 -1.26 -0.35 121.20 126.99 2chg s ILE 181 Ca 0.06 -0.97 -0.11 0.00 -1.41 0.00 0.00 60.65 58.22 2chg s ILE 181 Cb -0.12 -1.65 0.08 0.00 0.13 0.00 0.00 42.46 40.91 2chg s ILE 181 CO -0.01 0.53 1.09 0.42 -1.91 0.00 0.00 174.94 175.07 2chg s THR 182 N 0.14 3.05 0.25 4.00 -4.23 -0.22 -4.86 115.64 113.77 2chg s THR 182 Ca -0.11 0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 2chg s THR 182 Cb -0.16 -2.94 0.16 0.00 1.34 0.00 0.00 72.50 70.90 2chg s THR 182 CO 0.06 -0.44 1.81 -0.08 -0.54 0.00 0.00 174.62 175.43 2chg h GLU 183 N -1.23 1.00 -0.70 3.99 4.57 -1.99 -0.89 114.58 119.33 2chg h GLU 183 Ca -0.47 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 57.47 2chg h GLU 183 Cb 1.26 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 2chg h GLU 183 CO 0.56 0.84 0.21 -0.44 -1.18 0.00 0.00 179.01 179.00 2chg h ASP 184 N 0.97 1.01 -0.56 1.04 3.45 -1.94 -1.13 116.42 119.27 2chg h ASP 184 Ca 0.22 -0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 2chg h ASP 184 Cb 0.24 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 2chg h ASP 184 CO -0.01 0.94 0.31 1.23 -1.57 0.00 0.00 179.24 180.14 2chg h GLY 185 N 1.09 0.83 1.06 2.75 0.00 -1.68 -1.00 103.07 106.12 2chg h GLY 185 Ca 0.23 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 2chg h GLY 185 CO -0.01 0.36 0.06 -2.00 0.00 0.00 0.00 176.54 174.96 2chg h LEU 186 N 0.75 1.02 -0.54 3.11 6.46 -0.96 -0.65 115.31 124.49 2chg h LEU 186 Ca 0.20 -0.28 -0.15 0.00 -0.12 0.00 0.00 57.88 57.53 2chg h LEU 186 Cb 0.05 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2chg h LEU 186 CO -0.03 1.04 -0.43 -0.33 -0.62 0.00 0.00 178.44 178.07 2chg h GLU 187 N 0.96 0.69 -0.67 1.25 4.39 -1.01 -1.53 114.58 118.66 2chg h GLU 187 Ca 0.18 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 2chg h GLU 187 Cb 0.48 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2chg h GLU 187 CO 0.02 0.99 0.11 0.00 -1.16 0.00 0.00 179.01 178.97 2chg h ALA 188 N 0.96 0.89 -0.60 3.43 0.00 -1.03 -1.66 119.26 121.25 2chg h ALA 188 Ca 0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2chg h ALA 188 Cb 0.97 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2chg h ALA 188 CO 0.09 0.67 0.20 1.25 0.00 0.00 0.00 179.25 181.46 2chg h LEU 189 N 1.04 0.87 -0.33 0.00 5.85 -0.86 -1.67 115.31 120.21 2chg h LEU 189 Ca 0.20 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 2chg h LEU 189 Cb 0.45 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2chg h LEU 189 CO 0.01 0.84 -0.05 0.40 -0.34 0.00 0.00 178.44 179.30 2chg h ILE 190 N 0.85 1.27 -0.26 4.05 2.04 -1.11 -2.10 117.51 122.26 2chg h ILE 190 Ca 0.20 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 65.04 2chg h ILE 190 Cb 0.27 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 2chg h ILE 190 CO -0.01 0.35 -0.22 0.22 0.00 0.00 0.00 178.15 178.49 2chg h TYR 191 N 0.40 -0.58 -0.28 1.37 -0.00 -1.27 -2.41 116.97 114.20 2chg h TYR 191 Ca 0.09 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.86 2chg h TYR 191 Cb 0.53 0.30 -0.01 0.00 -0.00 0.00 0.00 36.73 37.55 2chg h TYR 191 CO 0.05 -0.30 0.18 0.82 -0.00 0.00 0.00 178.16 178.90 2chg h ILE 192 N -0.22 1.07 0.00 1.81 5.03 -1.20 -3.18 117.51 120.82 2chg h ILE 192 Ca 0.14 -0.14 -0.05 0.00 -0.12 0.00 0.00 64.86 64.69 2chg h ILE 192 Cb 0.44 0.67 -0.01 0.00 -3.03 0.00 0.00 36.82 34.89 2chg h ILE 192 CO -0.39 0.07 -0.23 0.77 -0.68 0.00 0.00 178.15 177.70 2chg h SER 193 N 0.37 0.00 -0.86 1.72 4.64 -0.84 -3.46 113.55 115.12 2chg h SER 193 Ca 0.10 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.05 2chg h SER 193 Cb -0.04 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.91 2chg h SER 193 CO -0.02 0.23 -0.34 0.61 -0.87 0.00 0.00 176.83 176.44 2chg n GLY 194 N -0.80 1.75 1.55 -0.77 0.00 -1.20 -1.33 105.19 104.39 2chg n GLY 194 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2chg n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2chg n GLY 195 N -0.55 0.60 3.32 -0.02 0.00 -1.26 -5.04 105.19 102.24 2chg n GLY 195 Ca -0.18 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 2chg n GLY 195 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2chg s ASP 196 N -2.12 5.45 0.26 1.61 -1.08 -0.44 -4.67 116.67 115.68 2chg s ASP 196 Ca 0.00 -1.02 -0.02 0.00 -0.52 0.00 0.00 52.55 50.99 2chg s ASP 196 Cb 0.00 -1.93 0.47 0.00 -1.46 0.00 0.00 42.92 40.00 2chg s ASP 196 CO 0.00 -0.33 1.81 -0.26 0.52 0.00 0.00 175.17 176.91 2chg h PHE 197 N 8.30 0.93 0.20 -5.34 -1.00 -1.86 -2.42 116.94 115.76 2chg h PHE 197 Ca -0.25 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.55 2chg h PHE 197 Cb 1.10 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.37 2chg h PHE 197 CO 0.59 0.35 -0.10 -0.09 -1.61 0.00 0.00 178.31 177.44 2chg h ARG 198 N 0.82 -0.27 -0.38 1.51 2.43 -1.94 0.01 114.38 116.56 2chg h ARG 198 Ca 0.44 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.66 2chg h ARG 198 Cb 0.46 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2chg h ARG 198 CO -0.28 -0.18 0.19 -0.22 -1.51 0.00 0.00 179.97 177.97 2chg h LYS 199 N -0.28 0.37 -0.79 0.20 3.64 -1.84 -1.14 116.57 116.73 2chg h LYS 199 Ca -0.03 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2chg h LYS 199 Cb 0.22 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2chg h LYS 199 CO 0.04 0.25 0.48 0.00 -2.27 0.00 0.00 179.45 177.95 2chg h ALA 200 N 1.20 1.01 -0.02 5.00 0.00 -1.13 -1.67 119.26 123.65 2chg h ALA 200 Ca 0.16 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 2chg h ALA 200 Cb 0.07 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2chg h ALA 200 CO -0.12 0.47 -0.92 0.82 0.00 0.00 0.00 179.25 179.50 2chg h ILE 201 N 1.08 1.36 -0.37 0.00 2.04 -0.83 -0.40 117.51 120.39 2chg h ILE 201 Ca 0.28 -2.32 0.04 0.00 1.00 0.00 0.00 64.86 63.86 2chg h ILE 201 Cb -0.05 2.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 2chg h ILE 201 CO -0.05 0.70 0.13 0.78 0.00 0.00 0.00 178.15 179.71 2chg h ASN 202 N 0.30 0.15 -0.37 1.72 2.35 -1.12 -1.09 115.58 117.52 2chg h ASN 202 Ca -0.08 0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.54 2chg h ASN 202 Cb 1.55 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.94 2chg h ASN 202 CO 0.17 0.12 -0.40 0.00 -1.65 0.00 0.00 177.43 175.67 2chg h ALA 203 N 1.23 0.57 -0.41 -0.83 0.00 -1.20 -2.30 119.26 116.32 2chg h ALA 203 Ca 0.17 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2chg h ALA 203 Cb 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2chg h ALA 203 CO -0.17 0.68 0.17 1.25 0.00 0.00 0.00 179.25 181.18 2chg h LEU 204 N 0.75 0.21 -1.13 0.00 5.85 -0.91 -0.15 115.31 119.94 2chg h LEU 204 Ca 0.06 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2chg h LEU 204 Cb 1.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2chg h LEU 204 CO 0.10 0.16 0.39 -0.61 -0.34 0.00 0.00 178.44 178.14 2chg h GLN 205 N 0.35 1.00 -0.31 1.25 4.15 -1.03 0.76 115.11 121.28 2chg h GLN 205 Ca 0.18 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 2chg h GLN 205 Cb 0.14 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2chg h GLN 205 CO -0.16 0.73 0.03 0.78 -1.93 0.00 0.00 178.83 178.28 2chg h GLY 206 N 1.05 0.57 0.88 2.39 0.00 -0.99 -2.07 103.07 104.90 2chg h GLY 206 Ca 0.26 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2chg h GLY 206 CO -0.04 0.37 0.07 0.00 0.00 0.00 0.00 176.54 176.94 2chg h ALA 207 N 0.86 0.34 -0.57 3.60 0.00 -0.70 -2.70 119.26 120.09 2chg h ALA 207 Ca 0.09 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2chg h ALA 207 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2chg h ALA 207 CO 0.01 -0.02 0.39 0.00 0.00 0.00 0.00 179.25 179.63 2chg h ALA 208 N 0.90 2.04 0.00 0.00 0.00 -0.80 -1.61 119.26 119.79 2chg h ALA 208 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2chg h ALA 208 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2chg h ALA 208 CO -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.08 2chg h ALA 209 N 1.71 1.00 -0.00 0.00 0.00 -1.02 -3.23 119.26 117.71 2chg h ALA 209 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2chg h ALA 209 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2chg h ALA 209 CO -0.07 0.00 -0.15 0.44 0.00 0.00 0.00 179.25 179.47 2chg n ILE 210 N -3.00 0.00 -3.57 0.00 -5.35 -0.62 -5.04 119.36 101.78 2chg n ILE 210 Ca -0.01 -0.42 -0.08 0.00 -0.27 0.00 0.00 62.75 61.97 2chg n ILE 210 Cb 0.17 1.07 -0.03 0.00 -1.74 0.00 0.00 39.64 39.10 2chg n ILE 210 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2chg s GLY 211 N -1.11 -0.30 0.18 3.28 0.00 -1.13 -5.04 107.32 103.21 2chg s GLY 211 Ca 0.05 1.72 -0.09 0.00 0.00 0.00 0.00 44.72 46.40 2chg s GLY 211 CO 0.17 0.72 1.60 -2.09 0.00 0.00 0.00 173.10 173.51 2chg h GLU 212 N 2.22 1.02 -5.01 2.90 4.81 -1.90 -3.41 114.58 115.21 2chg h GLU 212 Ca -0.16 -0.38 -0.63 0.00 -0.13 0.00 0.00 59.36 58.06 2chg h GLU 212 Cb 1.19 -0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.35 2chg h GLU 212 CO 0.28 1.07 -0.45 0.08 -0.73 0.00 0.00 179.01 179.26 2chg s VAL 213 N -4.82 5.29 -0.25 0.32 1.01 -1.26 -1.49 120.40 119.21 2chg s VAL 213 Ca -0.11 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 2chg s VAL 213 Cb 0.13 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2chg s VAL 213 CO 0.86 0.25 0.13 -0.69 0.00 0.00 0.00 175.10 175.66 2chg s VAL 214 N 1.65 5.02 0.42 2.92 1.01 0.52 -4.99 120.40 126.95 2chg s VAL 214 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2chg s VAL 214 Cb -0.15 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2chg s VAL 214 CO 0.09 0.33 0.07 -0.90 0.00 0.00 0.00 175.10 174.69 2chg n ASP 215 N 4.56 2.28 -0.30 3.32 5.68 -1.26 -1.05 116.55 129.78 2chg n ASP 215 Ca -0.15 -3.02 -0.00 0.00 -0.50 0.00 0.00 54.79 51.11 2chg n ASP 215 Cb 0.52 0.63 0.13 0.00 -1.14 0.00 0.00 41.12 41.26 2chg n ASP 215 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2chg h ALA 216 N 1.43 1.13 -0.63 2.12 0.00 -1.83 -1.97 119.26 119.51 2chg h ALA 216 Ca -0.34 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.63 2chg h ALA 216 Cb 1.15 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 2chg h ALA 216 CO 0.56 0.27 0.31 -0.44 0.00 0.00 0.00 179.25 179.94 2chg h ASP 217 N 0.95 0.40 0.00 0.00 3.32 -1.97 -1.09 116.42 118.04 2chg h ASP 217 Ca 0.36 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.34 2chg h ASP 217 Cb 0.14 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2chg h ASP 217 CO -0.16 0.25 -0.36 0.00 -1.72 0.00 0.00 179.24 177.25 2chg h THR 218 N 0.55 1.29 0.00 0.35 1.03 -1.77 -0.58 112.91 113.79 2chg h THR 218 Ca 0.30 -1.48 -0.00 0.00 -0.01 0.00 0.00 66.41 65.22 2chg h THR 218 Cb 0.28 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 2chg h THR 218 CO -0.23 0.46 -0.00 0.40 -0.01 0.00 0.00 175.52 176.14 2chg h ILE 219 N 0.41 1.09 0.00 0.00 1.08 -0.95 -1.02 117.51 118.12 2chg h ILE 219 Ca 0.04 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2chg h ILE 219 Cb 0.82 1.29 -0.00 0.00 -3.07 0.00 0.00 36.82 35.86 2chg h ILE 219 CO 0.07 0.07 -0.06 1.88 -0.69 0.00 0.00 178.15 179.42 2chg h TYR 220 N -0.13 0.00 -0.20 1.37 0.05 -1.16 -1.03 116.97 115.87 2chg h TYR 220 Ca -0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 2chg h TYR 220 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 2chg h TYR 220 CO -0.04 0.06 -0.37 0.37 -1.05 0.00 0.00 178.16 177.13 2chg h GLN 221 N 0.00 0.61 -0.57 4.88 4.15 -0.70 -1.32 115.11 122.15 2chg h GLN 221 Ca -0.00 -0.38 -0.06 0.00 0.77 0.00 0.00 58.65 58.97 2chg h GLN 221 Cb 0.11 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2chg h GLN 221 CO 0.01 1.00 0.11 0.82 -1.93 0.00 0.00 178.83 178.84 2chg h ILE 222 N 0.28 1.24 -0.08 2.39 1.08 -0.84 -3.04 117.51 118.54 2chg h ILE 222 Ca 0.01 -0.90 -0.19 0.00 -0.39 0.00 0.00 64.86 63.39 2chg h ILE 222 Cb 0.97 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 35.40 2chg h ILE 222 CO 0.08 0.33 -0.75 0.74 -0.69 0.00 0.00 178.15 177.87 2chg h THR 223 N 0.86 1.37 0.00 -0.27 2.02 -1.16 -2.54 112.91 113.19 2chg h THR 223 Ca 0.18 -2.14 -0.01 0.00 0.77 0.00 0.00 66.41 65.21 2chg h THR 223 Cb 0.35 2.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2chg h THR 223 CO 0.00 0.65 -0.03 0.00 0.37 0.00 0.00 175.52 176.51 2chg h ALA 224 N 0.89 1.53 0.00 6.16 0.00 -1.12 -3.51 119.26 123.21 2chg h ALA 224 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2chg h ALA 224 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2chg h ALA 224 CO 0.13 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.67