#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 0.15 -0.12 -4.13 2.12 -1.26 -5.17 118.70 110.30 2chg s GLU 5 Ca 0.00 0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.59 2chg s GLU 5 Cb 0.00 0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.41 2chg s GLU 5 CO 0.00 -0.03 -0.14 0.96 -0.54 0.00 0.00 175.26 175.51 2chg s ILE 6 N 0.97 2.94 -0.23 -3.70 -4.36 -1.26 -5.00 121.20 110.56 2chg s ILE 6 Ca -0.06 -0.71 0.28 0.00 -0.26 0.00 0.00 60.65 59.90 2chg s ILE 6 Cb -0.03 -2.21 0.33 0.00 1.25 0.00 0.00 42.46 41.80 2chg s ILE 6 CO -0.12 0.54 1.83 -0.50 0.24 0.00 0.00 174.94 176.93 2chg h TRP 7 N 6.54 0.00 0.00 1.37 4.06 -1.97 0.80 115.95 126.75 2chg h TRP 7 Ca -0.27 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.61 2chg h TRP 7 Cb 1.21 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 2chg h TRP 7 CO 0.50 0.00 -0.32 0.28 -3.56 0.00 0.00 178.44 175.33 2chg h VAL 8 N 0.00 1.03 0.03 1.49 2.07 -1.93 -0.63 116.25 118.32 2chg h VAL 8 Ca 0.00 -1.19 -0.35 0.00 0.82 0.00 0.00 66.70 65.98 2chg h VAL 8 Cb 0.54 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 2chg h VAL 8 CO 0.00 0.32 -1.97 -0.62 0.02 0.00 0.00 177.57 175.32 2chg n GLU 9 N -3.87 0.64 -0.28 1.57 -0.58 -0.13 -3.50 120.64 114.50 2chg n GLU 9 Ca -0.01 0.35 0.12 0.00 -0.42 0.00 0.00 57.16 57.20 2chg n GLU 9 Cb 0.40 -1.64 0.38 0.00 -0.57 0.00 0.00 31.44 30.01 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 -0.54 0.66 -0.39 3.49 3.64 -0.97 -2.10 116.57 120.37 2chg h LYS 10 Ca -0.49 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 58.66 2chg h LYS 10 Cb 1.68 -0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 33.23 2chg h LYS 10 CO -0.16 0.44 -0.03 0.66 -2.27 0.00 0.00 179.45 178.09 2chg n TYR 11 N -4.57 1.20 -2.40 1.91 4.02 -0.24 -4.98 117.16 112.10 2chg n TYR 11 Ca 0.18 -1.57 -0.41 0.00 -0.01 0.00 0.00 57.90 56.09 2chg n TYR 11 Cb 0.49 -0.51 -0.03 0.00 -0.02 0.00 0.00 39.34 39.27 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 -3.23 4.50 0.28 -0.72 3.52 -0.79 -4.96 118.95 117.56 2chg s ARG 12 Ca 0.45 1.84 -0.29 0.00 -0.13 0.00 0.00 55.73 57.60 2chg s ARG 12 Cb 0.41 -3.25 -0.13 0.00 -1.56 0.00 0.00 34.95 30.41 2chg s ARG 12 CO 0.01 -0.08 1.20 -2.30 -0.81 0.00 0.00 175.30 173.33 2chg n PRO 13 N 2.60 1.73 0.00 5.12 -0.02 -1.26 -4.91 135.00 138.27 2chg n PRO 13 Ca 0.04 0.61 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 2chg n PRO 13 Cb 0.45 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 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 1.06 4.78 -3.95 -0.52 1.74 -1.26 -4.52 116.66 114.00 2chg n ARG 14 Ca 0.09 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.08 2chg n ARG 14 Cb 0.32 -0.82 -0.08 0.00 -1.02 0.00 0.00 32.46 30.87 2chg n ARG 14 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2chg s THR 15 N -1.63 0.12 0.28 0.55 -1.32 -1.26 -4.60 115.64 107.78 2chg s THR 15 Ca 0.03 -1.39 0.01 0.00 -1.21 0.00 0.00 61.69 59.13 2chg s THR 15 Cb 0.05 -1.62 0.28 0.00 -1.51 0.00 0.00 72.50 69.70 2chg s THR 15 CO 0.27 -0.52 1.82 -0.07 -2.21 0.00 0.00 174.62 173.91 2chg h LEU 16 N 2.71 0.88 -2.27 9.08 4.07 -1.94 -2.07 115.31 125.76 2chg h LEU 16 Ca -0.33 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.68 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 0.54 0.45 0.00 0.44 -1.08 0.00 0.00 178.44 178.79 2chg h ASP 17 N 0.94 0.00 0.76 -0.43 3.32 -1.96 -1.82 116.42 117.23 2chg h ASP 17 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 2chg h ASP 17 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2chg h ASP 17 CO -0.28 0.00 -0.14 -0.62 -1.72 0.00 0.00 179.24 176.48 2chg n GLU 18 N -2.95 0.12 -2.90 3.56 1.02 -0.78 -4.78 120.64 113.93 2chg n GLU 18 Ca -0.02 -0.03 -0.38 0.00 -0.02 0.00 0.00 57.16 56.71 2chg n GLU 18 Cb 0.14 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.90 4.29 0.16 2.62 -7.23 -0.69 -4.73 120.40 111.93 2chg s VAL 19 Ca 0.16 1.75 0.10 0.00 -1.81 0.00 0.00 61.98 62.19 2chg s VAL 19 Cb 0.19 -4.11 -0.04 0.00 0.56 0.00 0.00 36.38 32.98 2chg s VAL 19 CO 0.56 0.37 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.82 2chg s VAL 20 N -1.33 2.55 -0.27 1.32 1.01 -1.26 -4.65 120.40 117.77 2chg s VAL 20 Ca 0.42 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2chg s VAL 20 Cb -0.22 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2chg s VAL 20 CO 0.26 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2chg n GLY 21 N 0.53 0.52 2.60 4.51 0.00 -1.26 -4.88 105.19 107.21 2chg n GLY 21 Ca -0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.82 2.11 -0.14 1.61 1.13 -1.26 -4.68 117.38 114.32 2chg n GLN 22 Ca -0.03 -3.62 -0.03 0.00 -1.94 0.00 0.00 57.00 51.39 2chg n GLN 22 Cb 0.22 -1.72 0.04 0.00 0.11 0.00 0.00 30.24 28.90 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 2.46 -0.18 -0.52 1.08 3.45 -1.90 0.19 116.42 121.00 2chg h ASP 23 Ca -0.03 0.10 0.10 0.00 0.43 0.00 0.00 57.03 57.63 2chg h ASP 23 Cb 1.35 0.18 -0.08 0.00 -0.56 0.00 0.00 39.33 40.22 2chg h ASP 23 CO 0.31 -0.05 0.07 -0.08 -1.57 0.00 0.00 179.24 177.92 2chg h GLU 24 N 0.12 0.20 0.09 3.56 4.22 -1.98 0.35 114.58 121.14 2chg h GLU 24 Ca 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.65 2chg h GLU 24 Cb 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2chg h GLU 24 CO -0.37 0.13 -0.04 0.28 -2.18 0.00 0.00 179.01 176.83 2chg h VAL 25 N 0.20 1.03 -0.96 0.32 2.07 -1.63 -2.89 116.25 114.39 2chg h VAL 25 Ca 0.27 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2chg h VAL 25 Cb 0.38 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 2chg h VAL 25 CO -0.37 0.10 0.62 0.40 0.02 0.00 0.00 177.57 178.34 2chg h ILE 26 N -0.30 1.17 -0.24 4.57 1.08 -0.59 -0.44 117.51 122.76 2chg h ILE 26 Ca -0.01 -0.42 -0.15 0.00 -0.39 0.00 0.00 64.86 63.89 2chg h ILE 26 Cb 0.26 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.85 2chg h ILE 26 CO 0.02 0.22 -0.47 1.56 -0.69 0.00 0.00 178.15 178.79 2chg h GLN 27 N 1.21 0.63 -0.37 2.37 1.08 -0.92 -1.32 115.11 117.78 2chg h GLN 27 Ca 0.38 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2chg h GLN 27 Cb -0.00 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2chg h GLN 27 CO -0.12 0.96 0.07 0.00 -0.95 0.00 0.00 178.83 178.79 2chg h ARG 28 N 0.50 0.61 -0.47 1.46 3.08 -1.24 -2.82 114.38 115.49 2chg h ARG 28 Ca 0.03 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2chg h ARG 28 Cb 1.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 2chg h ARG 28 CO 0.09 0.67 0.26 -0.07 -1.07 0.00 0.00 179.97 179.85 2chg h LEU 29 N 0.45 0.56 -1.05 3.04 4.07 -0.89 -1.92 115.31 119.57 2chg h LEU 29 Ca 0.11 -0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.95 2chg h LEU 29 Cb 0.35 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 2chg h LEU 29 CO 0.01 0.45 -0.42 0.11 -1.08 0.00 0.00 178.44 177.51 2chg h LYS 30 N 0.65 0.00 -0.79 1.13 1.57 -1.07 -2.61 116.57 115.45 2chg h LYS 30 Ca 0.17 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2chg h LYS 30 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2chg h LYS 30 CO -0.03 0.42 0.52 0.78 -0.57 0.00 0.00 179.45 180.57 2chg h GLY 31 N 1.66 1.10 0.91 3.86 0.00 -1.10 -1.95 103.07 107.56 2chg h GLY 31 Ca -0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 2chg h GLY 31 CO 0.05 0.29 -0.61 -0.97 0.00 0.00 0.00 176.54 175.30 2chg h TYR 32 N 0.91 0.74 0.00 5.60 0.05 -1.44 -3.22 116.97 119.62 2chg h TYR 32 Ca 0.33 -0.36 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 2chg h TYR 32 Cb 0.15 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 2chg h TYR 32 CO -0.00 1.16 -0.18 -0.24 -1.05 0.00 0.00 178.16 177.85 2chg h VAL 33 N 0.12 0.96 -0.93 -2.88 3.04 -1.24 -0.36 116.25 114.97 2chg h VAL 33 Ca -0.06 -0.64 -0.01 0.00 -1.01 0.00 0.00 66.70 64.98 2chg h VAL 33 Cb 1.27 1.36 -0.04 0.00 -2.01 0.00 0.00 31.29 31.87 2chg h VAL 33 CO 0.12 0.17 0.53 -0.08 -1.01 0.00 0.00 177.57 177.30 2chg h GLU 34 N 0.00 1.28 -0.12 4.17 4.81 -1.41 -2.41 114.58 120.90 2chg h GLU 34 Ca -0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2chg h GLU 34 Cb 0.35 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2chg h GLU 34 CO 0.02 0.92 0.00 0.54 -0.73 0.00 0.00 179.01 179.76 2chg n ARG 35 N -4.34 1.74 -2.07 1.92 5.12 -0.23 -4.95 116.66 113.86 2chg n ARG 35 Ca 0.10 -1.10 -0.20 0.00 -1.93 0.00 0.00 57.85 54.72 2chg n ARG 35 Cb 0.08 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 29.91 2chg n ARG 35 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2chg n LYS 36 N 0.33 -1.63 -3.68 5.56 5.02 -0.69 -4.97 118.16 118.10 2chg n LYS 36 Ca 0.17 1.04 -0.14 0.00 -2.02 0.00 0.00 58.31 57.36 2chg n LYS 36 Cb 0.35 -5.58 -0.08 0.00 -0.02 0.00 0.00 35.03 29.70 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 -2.30 -0.46 0.15 4.39 3.84 -1.16 -4.97 114.94 114.43 2chg s ASN 37 Ca 0.00 0.69 0.08 0.00 0.21 0.00 0.00 52.86 53.84 2chg s ASN 37 Cb 0.00 0.72 -0.04 0.00 -0.55 0.00 0.00 41.25 41.38 2chg s ASN 37 CO 0.00 -0.35 -0.18 0.27 -2.79 0.00 0.00 177.10 174.05 2chg s ILE 38 N -0.50 1.74 0.70 -5.21 -4.36 -1.26 -4.55 121.20 107.76 2chg s ILE 38 Ca -0.06 -1.82 -0.12 0.00 -0.26 0.00 0.00 60.65 58.39 2chg s ILE 38 Cb -0.03 -1.75 0.16 0.00 1.25 0.00 0.00 42.46 42.09 2chg s ILE 38 CO 0.04 -0.27 0.94 -0.81 0.24 0.00 0.00 174.94 175.08 2chg n PRO 39 N 0.49 -0.96 -2.23 0.37 -0.04 -1.26 -5.02 135.00 126.35 2chg n PRO 39 Ca -0.15 -1.46 -0.37 0.00 -0.04 0.00 0.00 63.50 61.48 2chg n PRO 39 Cb 0.56 -0.98 -0.01 0.00 -0.04 0.00 0.00 33.50 33.04 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 -3.05 2.86 -0.03 0.54 3.76 -1.26 -4.79 115.29 113.31 2chg s HIS 40 Ca 0.54 1.53 0.05 0.00 -0.15 0.00 0.00 55.06 57.02 2chg s HIS 40 Cb -0.01 -3.41 -0.01 0.00 1.11 0.00 0.00 32.58 30.26 2chg s HIS 40 CO 0.38 -1.57 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.00 2chg s LEU 41 N -3.01 1.99 -0.24 0.89 1.02 -0.22 -0.70 118.68 118.41 2chg s LEU 41 Ca 0.63 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 54.43 2chg s LEU 41 Cb -0.29 -1.02 0.04 0.00 0.02 0.00 0.00 46.19 44.94 2chg s LEU 41 CO 0.36 0.20 -0.11 -0.22 0.02 0.00 0.00 176.35 176.59 2chg s LEU 42 N -0.21 3.07 -0.46 1.79 0.20 0.16 -0.46 118.68 122.77 2chg s LEU 42 Ca 0.01 -1.06 -0.16 0.00 0.69 0.00 0.00 54.13 53.62 2chg s LEU 42 Cb -0.10 -1.57 0.06 0.00 -0.43 0.00 0.00 46.19 44.15 2chg s LEU 42 CO 0.01 -0.13 0.40 -0.36 -0.29 0.00 0.00 176.35 175.98 2chg s PHE 43 N 1.22 3.22 0.02 5.38 2.99 0.92 -0.21 117.98 131.53 2chg s PHE 43 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 56.93 56.14 2chg s PHE 43 Cb -0.17 -3.08 -0.04 0.00 0.00 0.00 0.00 43.02 39.73 2chg s PHE 43 CO -0.07 -0.77 -0.02 0.45 -0.00 0.00 0.00 175.22 174.81 2chg s SER 44 N 2.39 4.94 0.00 1.36 0.15 0.21 -0.84 113.70 121.91 2chg s SER 44 Ca 0.06 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2chg s SER 44 Cb -0.22 -1.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 2chg s SER 44 CO 0.08 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2chg n GLY 45 N 1.22 2.09 3.70 9.45 0.00 -0.82 0.45 105.19 121.28 2chg n GLY 45 Ca -0.14 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 2chg n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2chg s PRO 46 N -1.63 1.64 0.54 1.61 0.04 -1.26 -4.17 135.00 131.78 2chg s PRO 46 Ca 0.00 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 2chg s PRO 46 Cb 0.00 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 2chg s PRO 46 CO 0.00 -2.20 1.14 -1.25 0.04 0.00 0.00 177.00 174.73 2chg s PRO 47 N -4.17 3.35 0.00 0.56 0.04 -1.26 -3.73 135.00 129.78 2chg s PRO 47 Ca 0.72 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2chg s PRO 47 Cb -0.28 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2chg s PRO 47 CO 0.51 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 177.10 2chg n GLY 48 N 0.21 0.79 0.03 0.56 0.00 -1.26 -4.92 105.19 100.61 2chg n GLY 48 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.13 0.19 0.00 2.61 -2.24 -1.24 -4.10 114.28 107.36 2chg n THR 49 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2chg n THR 49 Cb 0.00 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.42 0.84 0.13 3.38 0.00 -1.26 -4.86 105.19 104.84 2chg n GLY 50 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.27 -0.28 1.61 1.57 -1.91 0.30 116.57 118.13 2chg h LYS 51 Ca 0.00 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 2chg h LYS 51 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2chg h LYS 51 CO 0.00 0.18 -0.41 1.15 -0.57 0.00 0.00 179.45 179.80 2chg h THR 52 N 0.28 1.29 -0.51 -0.16 2.02 -1.99 -2.10 112.91 111.75 2chg h THR 52 Ca 0.12 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.72 2chg h THR 52 Cb 0.05 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2chg h THR 52 CO -0.09 0.51 0.33 0.00 0.37 0.00 0.00 175.52 176.64 2chg h ALA 53 N 0.98 0.64 0.00 6.16 0.00 -1.81 -1.87 119.26 123.36 2chg h ALA 53 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2chg h ALA 53 Cb 0.95 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2chg h ALA 53 CO 0.09 0.08 -0.29 1.79 0.00 0.00 0.00 179.25 180.92 2chg h THR 54 N 0.68 0.59 -0.29 0.00 1.35 -0.18 -0.80 112.91 114.27 2chg h THR 54 Ca 0.19 -1.49 -0.14 0.00 -0.55 0.00 0.00 66.41 64.42 2chg h THR 54 Cb -0.08 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2chg h THR 54 CO -0.04 0.29 -0.39 0.00 -0.25 0.00 0.00 175.52 175.13 2chg h ALA 55 N 1.71 0.43 -0.29 6.62 0.00 -1.09 0.27 119.26 126.91 2chg h ALA 55 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2chg h ALA 55 Cb 1.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2chg h ALA 55 CO 0.04 0.53 0.14 0.82 0.00 0.00 0.00 179.25 180.77 2chg h ILE 56 N 0.52 1.15 -0.74 0.00 2.04 -1.19 -1.18 117.51 118.11 2chg h ILE 56 Ca 0.03 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.49 2chg h ILE 56 Cb 0.98 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 2chg h ILE 56 CO 0.09 0.16 0.46 0.00 0.00 0.00 0.00 178.15 178.86 2chg h ALA 57 N 0.99 0.98 0.15 1.87 0.00 -1.07 -1.17 119.26 121.02 2chg h ALA 57 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2chg h ALA 57 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2chg h ALA 57 CO -0.01 0.23 -0.11 1.25 0.00 0.00 0.00 179.25 180.61 2chg h LEU 58 N 0.89 -0.28 -0.98 0.00 6.46 -0.75 -1.29 115.31 119.36 2chg h LEU 58 Ca 0.30 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.17 2chg h LEU 58 Cb 0.05 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.00 2chg h LEU 58 CO -0.13 -0.17 0.63 0.00 -0.62 0.00 0.00 178.44 178.15 2chg h ALA 59 N 0.58 1.40 -0.03 1.25 0.00 -0.81 0.33 119.26 121.98 2chg h ALA 59 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2chg h ALA 59 Cb 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2chg h ALA 59 CO -0.00 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2chg h ARG 60 N 1.09 0.06 -0.67 0.00 3.08 -1.07 0.16 114.38 117.03 2chg h ARG 60 Ca 0.45 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.53 2chg h ARG 60 Cb 0.27 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 2chg h ARG 60 CO -0.20 0.34 0.44 -0.44 -1.07 0.00 0.00 179.97 179.04 2chg h ASP 61 N -0.24 0.64 0.20 7.04 3.32 -0.84 0.33 116.42 126.86 2chg h ASP 61 Ca 0.01 -0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.74 2chg h ASP 61 Cb 0.32 -0.14 0.04 0.00 0.22 0.00 0.00 39.33 39.76 2chg h ASP 61 CO 0.00 0.43 -1.37 -0.07 -1.72 0.00 0.00 179.24 176.51 2chg h LEU 62 N 0.74 0.86 0.00 1.55 3.38 -0.76 -3.40 115.31 117.68 2chg h LEU 62 Ca 0.28 -0.88 -0.09 0.00 0.09 0.00 0.00 57.88 57.28 2chg h LEU 62 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2chg h LEU 62 CO -0.08 1.67 -1.69 0.49 0.09 0.00 0.00 178.44 178.91 2chg n PHE 63 N -3.76 0.00 -1.00 1.13 0.99 0.56 -4.97 117.46 110.40 2chg n PHE 63 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 2chg n PHE 63 Cb 1.05 -0.42 0.00 0.00 -1.00 0.00 0.00 39.48 39.11 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 1.94 1.83 0.28 1.37 0.00 0.11 -3.89 105.19 106.83 2chg n GLY 64 Ca -0.09 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 2chg n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2chg h GLU 65 N 0.00 0.95 -2.12 1.61 5.08 -1.96 -2.69 114.58 115.45 2chg h GLU 65 Ca 0.00 -0.20 -0.51 0.00 -1.00 0.00 0.00 59.36 57.65 2chg h GLU 65 Cb 0.00 -0.14 -0.15 0.00 0.50 0.00 0.00 28.75 28.96 2chg h GLU 65 CO 0.00 0.84 0.71 0.27 -1.00 0.00 0.00 179.01 179.83 2chg n ASN 66 N -4.39 6.63 0.09 1.42 0.23 -1.25 -4.48 115.26 113.51 2chg n ASN 66 Ca 0.04 -3.09 -0.22 0.00 -0.53 0.00 0.00 54.58 50.77 2chg n ASN 66 Cb 0.21 -1.28 -0.15 0.00 -2.08 0.00 0.00 39.78 36.47 2chg n ASN 66 CO 0.00 0.00 0.00 4.11 -0.93 0.00 0.00 177.26 180.44 2chg h TRP 67 N 3.31 0.71 -0.84 -2.53 5.08 -1.68 -3.38 115.95 116.62 2chg h TRP 67 Ca 0.43 -0.52 -0.01 0.00 1.08 0.00 0.00 58.89 59.87 2chg h TRP 67 Cb 0.74 -0.03 -0.04 0.00 -3.00 0.00 0.00 29.16 26.83 2chg h TRP 67 CO 1.54 1.58 0.48 -0.09 -1.28 0.00 0.00 178.44 180.67 2chg h ARG 68 N 0.11 1.16 0.00 0.12 2.43 -1.85 -1.00 114.38 115.34 2chg h ARG 68 Ca -0.30 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 2chg h ARG 68 Cb 2.10 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 31.41 2chg h ARG 68 CO 0.20 0.84 -0.03 -0.44 -1.51 0.00 0.00 179.97 179.02 2chg h ASP 69 N 1.16 0.00 -0.50 -3.80 5.19 -1.93 -3.16 116.42 113.38 2chg h ASP 69 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 2chg h ASP 69 Cb -0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2chg h ASP 69 CO -0.05 0.03 0.00 0.59 -3.12 0.00 0.00 179.24 176.69 2chg n ASN 70 N -3.15 3.80 -3.80 6.45 3.02 -0.41 -4.85 115.26 116.32 2chg n ASN 70 Ca 0.00 -2.26 -0.16 0.00 -0.03 0.00 0.00 54.58 52.13 2chg n ASN 70 Cb 0.31 -0.43 -0.16 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.49 0.20 0.00 3.10 2.19 -1.04 -0.61 117.98 120.33 2chg s PHE 71 Ca 0.39 0.05 0.04 0.00 0.33 0.00 0.00 56.93 57.74 2chg s PHE 71 Cb 0.24 -0.34 -0.01 0.00 -1.31 0.00 0.00 43.02 41.60 2chg s PHE 71 CO 0.21 -0.11 -0.12 -1.50 1.83 0.00 0.00 175.22 175.53 2chg s ILE 72 N 1.05 0.93 -0.15 3.12 2.07 -0.80 -4.87 121.20 122.56 2chg s ILE 72 Ca -0.09 -0.61 -0.05 0.00 -1.41 0.00 0.00 60.65 58.48 2chg s ILE 72 Cb -0.13 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 2chg s ILE 72 CO -0.02 0.18 0.03 -1.61 -1.91 0.00 0.00 174.94 171.61 2chg s GLU 73 N -0.49 3.65 0.05 3.50 2.02 -1.26 -0.60 118.70 125.57 2chg s GLU 73 Ca 0.03 -0.38 -0.06 0.00 0.02 0.00 0.00 54.97 54.59 2chg s GLU 73 Cb -0.05 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 31.11 2chg s GLU 73 CO -0.00 0.41 0.10 0.00 0.02 0.00 0.00 175.26 175.79 2chg s MET 74 N -0.03 0.67 -0.16 1.61 0.23 0.10 -4.97 119.30 116.75 2chg s MET 74 Ca 0.05 -0.88 -0.21 0.00 -1.03 0.00 0.00 55.69 53.61 2chg s MET 74 Cb -0.12 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.41 2chg s MET 74 CO 0.01 -0.18 0.65 1.21 -2.03 0.00 0.00 175.02 174.69 2chg s ASN 75 N -2.46 6.77 0.37 -1.18 3.84 -1.26 -0.78 114.94 120.23 2chg s ASN 75 Ca -0.00 0.93 0.04 0.00 0.21 0.00 0.00 52.86 54.04 2chg s ASN 75 Cb 0.02 -2.37 0.70 0.00 -0.55 0.00 0.00 41.25 39.05 2chg s ASN 75 CO -0.07 -0.23 1.99 0.00 -2.79 0.00 0.00 177.10 176.00 2chg h ALA 76 N 7.27 1.55 -2.37 1.71 0.00 -1.00 -3.32 119.26 123.10 2chg h ALA 76 Ca -0.34 -0.08 -0.78 0.00 0.00 0.00 0.00 54.91 53.71 2chg h ALA 76 Cb 1.15 -0.20 -0.25 0.00 0.00 0.00 0.00 17.79 18.49 2chg h ALA 76 CO 0.78 0.38 0.64 -1.54 0.00 0.00 0.00 179.25 179.50 2chg s SER 77 N -6.61 7.20 -0.01 0.00 1.04 -1.26 -4.81 113.70 109.25 2chg s SER 77 Ca -0.09 -3.34 -0.16 0.00 0.48 0.00 0.00 55.95 52.84 2chg s SER 77 Cb 0.17 -2.26 -0.06 0.00 0.10 0.00 0.00 66.02 63.97 2chg s SER 77 CO 0.75 -0.44 0.45 -0.62 0.98 0.00 0.00 173.24 174.36 2chg s ASP 78 N 1.81 6.82 0.57 7.02 -1.08 -1.25 -4.99 116.67 125.57 2chg s ASP 78 Ca 0.32 0.98 0.32 0.00 -0.52 0.00 0.00 52.55 53.65 2chg s ASP 78 Cb -0.08 -2.27 1.70 0.00 -1.46 0.00 0.00 42.92 40.81 2chg s ASP 78 CO -0.06 0.25 2.16 -0.33 0.52 0.00 0.00 175.17 177.71 2chg h GLU 79 N 5.08 0.00 0.00 4.34 5.08 -1.96 -1.23 114.58 125.89 2chg h GLU 79 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2chg h GLU 79 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2chg h GLU 79 CO 0.65 0.06 0.00 0.54 -1.00 0.00 0.00 179.01 179.26 2chg n ARG 80 N -3.53 0.18 0.00 2.33 3.00 -1.26 -5.00 116.66 112.38 2chg n ARG 80 Ca -0.02 0.26 0.00 0.00 -0.01 0.00 0.00 57.85 58.08 2chg n ARG 80 Cb 0.18 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 30.88 2chg n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2chg n GLY 81 N 0.76 2.45 0.24 -0.13 0.00 -0.46 -4.63 105.19 103.42 2chg n GLY 81 Ca 0.04 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 44.02 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 1.04 -0.19 -0.61 6.09 -1.87 -2.90 117.51 119.08 2chg h ILE 82 Ca 0.00 -0.31 -0.11 0.00 -1.37 0.00 0.00 64.86 63.07 2chg h ILE 82 Cb 0.00 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 38.44 2chg h ILE 82 CO 0.00 0.09 -0.35 0.44 -3.07 0.00 0.00 178.15 175.26 2chg h ASP 83 N 0.00 0.41 0.50 2.19 3.32 -1.97 0.60 116.42 121.47 2chg h ASP 83 Ca -0.00 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.79 2chg h ASP 83 Cb 0.16 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2chg h ASP 83 CO 0.01 0.74 -0.48 0.58 -1.72 0.00 0.00 179.24 178.36 2chg h VAL 84 N 0.34 1.32 -0.16 -1.35 2.07 -1.77 0.24 116.25 116.94 2chg h VAL 84 Ca 0.04 -1.66 -0.07 0.00 0.82 0.00 0.00 66.70 65.82 2chg h VAL 84 Cb 0.78 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2chg h VAL 84 CO 0.06 0.47 -0.18 0.58 0.02 0.00 0.00 177.57 178.52 2chg h VAL 85 N 0.00 1.34 -0.61 2.57 2.07 -1.39 -2.74 116.25 117.49 2chg h VAL 85 Ca -0.00 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.16 2chg h VAL 85 Cb 0.86 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2chg h VAL 85 CO 0.06 0.40 0.41 0.03 0.02 0.00 0.00 177.57 178.49 2chg h ARG 86 N 0.04 0.81 -0.28 1.57 3.08 -0.63 -0.96 114.38 118.02 2chg h ARG 86 Ca 0.02 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2chg h ARG 86 Cb 0.73 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2chg h ARG 86 CO 0.04 0.54 0.16 1.25 -1.07 0.00 0.00 179.97 180.89 2chg h HIS 87 N 0.83 0.30 -0.82 3.04 2.76 -1.04 -0.20 115.15 120.02 2chg h HIS 87 Ca 0.22 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2chg h HIS 87 Cb -0.09 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 28.73 2chg h HIS 87 CO -0.03 0.18 0.49 0.87 -1.30 0.00 0.00 177.93 178.14 2chg h LYS 88 N 0.33 1.11 -0.33 5.26 1.57 -1.16 -1.54 116.57 121.81 2chg h LYS 88 Ca 0.11 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2chg h LYS 88 Cb 0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2chg h LYS 88 CO -0.06 0.78 0.05 0.82 -0.57 0.00 0.00 179.45 180.47 2chg h ILE 89 N 1.13 1.24 -0.41 1.86 2.04 -1.00 -2.91 117.51 119.46 2chg h ILE 89 Ca 0.29 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.41 2chg h ILE 89 Cb -0.05 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 2chg h ILE 89 CO -0.06 0.28 -0.11 0.50 0.00 0.00 0.00 178.15 178.76 2chg h LYS 90 N 0.38 -0.01 -0.99 2.37 3.64 -0.61 0.24 116.57 121.60 2chg h LYS 90 Ca 0.10 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2chg h LYS 90 Cb 0.35 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 2chg h LYS 90 CO 0.01 -0.00 0.65 0.93 -2.27 0.00 0.00 179.45 178.77 2chg h GLU 91 N -0.01 1.27 -0.18 1.90 4.39 -1.29 -1.35 114.58 119.31 2chg h GLU 91 Ca 0.20 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.65 2chg h GLU 91 Cb 0.31 -0.29 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2chg h GLU 91 CO -0.43 0.84 -0.57 0.35 -1.16 0.00 0.00 179.01 178.05 2chg h PHE 92 N 1.31 0.92 0.00 4.33 3.57 -1.27 -3.32 116.94 122.47 2chg h PHE 92 Ca 0.37 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2chg h PHE 92 Cb -0.10 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.49 2chg h PHE 92 CO -0.00 1.17 0.00 0.00 -2.23 0.00 0.00 178.31 177.25 2chg h ALA 93 N 0.57 1.00 0.00 2.41 0.00 -0.64 -3.30 119.26 119.30 2chg h ALA 93 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2chg h ALA 93 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2chg h ALA 93 CO 0.12 0.00 -0.45 2.89 0.00 0.00 0.00 179.25 181.81 2chg n ARG 94 N -2.33 0.14 -3.70 0.00 1.85 -0.54 -4.81 116.66 107.26 2chg n ARG 94 Ca 0.05 0.05 -0.26 0.00 -1.00 0.00 0.00 57.85 56.69 2chg n ARG 94 Cb 0.42 -1.60 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 2chg n ARG 94 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2chg s THR 95 N -3.07 5.20 0.79 8.89 -4.23 -1.25 -5.10 115.64 116.88 2chg s THR 95 Ca 0.09 -0.47 -0.13 0.00 -1.18 0.00 0.00 61.69 60.00 2chg s THR 95 Cb 0.16 -3.76 0.07 0.00 1.34 0.00 0.00 72.50 70.30 2chg s THR 95 CO 0.68 -0.24 1.20 0.00 -0.54 0.00 0.00 174.62 175.72 2chg s ALA 96 N -1.93 1.92 0.90 3.99 0.00 -1.26 -5.00 121.76 120.38 2chg s ALA 96 Ca 0.38 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 2chg s ALA 96 Cb -0.11 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.68 2chg s ALA 96 CO 0.30 -2.17 1.09 -2.14 0.00 0.00 0.00 175.76 172.85 2chg s PRO 97 N -4.14 1.18 -0.10 0.00 0.02 -1.26 -5.01 135.00 125.68 2chg s PRO 97 Ca 0.72 1.04 -0.04 0.00 0.02 0.00 0.00 61.00 62.74 2chg s PRO 97 Cb -0.28 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 2chg s PRO 97 CO 0.50 -2.36 0.07 0.42 -0.33 0.00 0.00 177.00 175.29 2chg s ILE 98 N -2.82 4.87 -1.38 2.83 1.09 -1.26 -4.66 121.20 119.86 2chg s ILE 98 Ca 0.64 -0.04 -0.09 0.00 -1.10 0.00 0.00 60.65 60.06 2chg s ILE 98 Cb -0.19 -3.09 0.03 0.00 -1.06 0.00 0.00 42.46 38.14 2chg s ILE 98 CO 0.58 0.61 1.10 0.61 -0.10 0.00 0.00 174.94 177.73 2chg n GLY 99 N 2.05 -0.50 2.35 6.18 0.00 -1.26 -2.45 105.19 111.55 2chg n GLY 99 Ca -0.19 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.82 0.58 3.75 -0.02 0.00 -1.26 -4.98 105.19 101.43 2chg n GLY 100 Ca -0.03 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.65 3.45 -0.61 4.61 0.00 -1.03 -4.96 121.76 120.56 2chg s ALA 101 Ca 0.00 1.00 0.25 0.00 0.00 0.00 0.00 51.96 53.21 2chg s ALA 101 Cb 0.00 -3.41 0.86 0.00 0.00 0.00 0.00 23.12 20.57 2chg s ALA 101 CO 0.00 -0.37 1.76 -1.00 0.00 0.00 0.00 175.76 176.14 2chg h PRO 102 N 4.67 0.00 0.00 0.00 0.13 -1.93 -3.44 132.00 131.43 2chg h PRO 102 Ca -0.46 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 2chg h PRO 102 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2chg h PRO 102 CO 0.72 0.00 0.40 1.97 -0.23 0.00 0.00 178.00 180.86 2chg n PHE 103 N -2.32 -1.95 -4.30 1.56 1.16 -1.26 -5.00 117.46 105.35 2chg n PHE 103 Ca 0.04 -1.61 -0.28 0.00 -1.87 0.00 0.00 57.45 53.73 2chg n PHE 103 Cb 0.37 0.80 -0.10 0.00 -1.61 0.00 0.00 39.48 38.93 2chg n PHE 103 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2chg s LYS 104 N -2.07 1.90 -0.13 3.97 1.02 -1.02 -4.91 119.74 118.49 2chg s LYS 104 Ca 0.19 -1.21 0.01 0.00 0.02 0.00 0.00 55.97 54.97 2chg s LYS 104 Cb -0.04 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 2chg s LYS 104 CO 0.09 0.46 -0.16 0.42 -0.92 0.00 0.00 175.35 175.24 2chg s ILE 105 N -1.37 2.70 -0.23 2.17 1.01 0.22 0.13 121.20 125.83 2chg s ILE 105 Ca 0.21 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 2chg s ILE 105 Cb -0.10 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 2chg s ILE 105 CO 0.12 0.53 0.00 -0.63 0.00 0.00 0.00 174.94 174.96 2chg s ILE 106 N 0.52 3.78 -0.37 2.92 1.01 -0.09 -1.90 121.20 127.08 2chg s ILE 106 Ca -0.10 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 2chg s ILE 106 Cb -0.16 -2.74 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 2chg s ILE 106 CO 0.04 0.39 0.37 0.12 0.00 0.00 0.00 174.94 175.87 2chg s PHE 107 N 1.49 3.20 -0.34 3.97 5.36 0.24 -0.53 117.98 131.37 2chg s PHE 107 Ca 0.06 -0.15 -0.08 0.00 -0.96 0.00 0.00 56.93 55.80 2chg s PHE 107 Cb -0.15 -2.71 0.02 0.00 -0.34 0.00 0.00 43.02 39.85 2chg s PHE 107 CO -0.00 -0.50 0.13 -0.51 -1.46 0.00 0.00 175.22 172.88 2chg s LEU 108 N 2.02 4.31 0.15 6.12 1.43 0.55 -0.72 118.68 132.54 2chg s LEU 108 Ca 0.11 -0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 52.11 2chg s LEU 108 Cb -0.17 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 2chg s LEU 108 CO 0.12 -0.30 0.57 -0.62 0.23 0.00 0.00 176.35 176.35 2chg s ASP 109 N 1.49 6.87 -1.32 2.29 2.15 0.04 -1.13 116.67 127.06 2chg s ASP 109 Ca 0.01 1.13 -0.06 0.00 0.43 0.00 0.00 52.55 54.06 2chg s ASP 109 Cb -0.19 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2chg s ASP 109 CO 0.04 0.11 1.08 -0.62 -0.17 0.00 0.00 175.17 175.62 2chg n GLU 110 N 0.89 -7.17 0.24 4.34 1.02 -1.10 -0.43 120.64 118.43 2chg n GLU 110 Ca -0.06 0.80 0.07 0.00 -0.02 0.00 0.00 57.16 57.96 2chg n GLU 110 Cb 0.52 -5.81 0.58 0.00 -0.02 0.00 0.00 31.44 26.71 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 0.97 1.75 0.00 0.62 0.00 -0.98 -2.12 119.26 119.50 2chg h ALA 111 Ca -0.58 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2chg h ALA 111 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2chg h ALA 111 CO 0.55 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 2chg n ASP 112 N -4.31 0.39 0.20 0.00 3.85 -1.26 -2.35 116.55 113.07 2chg n ASP 112 Ca -0.03 0.57 0.15 0.00 -0.71 0.00 0.00 54.79 54.77 2chg n ASP 112 Cb 0.19 -0.66 0.63 0.00 -1.35 0.00 0.00 41.12 39.93 2chg n ASP 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2chg h ALA 113 N 2.55 1.00 -2.51 2.12 0.00 -1.72 -3.45 119.26 117.24 2chg h ALA 113 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 2chg h ALA 113 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2chg h ALA 113 CO 0.00 0.00 0.40 -0.51 0.00 0.00 0.00 179.25 179.14 2chg s LEU 114 N -5.22 4.24 0.75 0.00 1.43 -0.99 -5.02 118.68 113.86 2chg s LEU 114 Ca 0.02 1.99 -0.13 0.00 -1.03 0.00 0.00 54.13 54.98 2chg s LEU 114 Cb 0.09 -4.08 0.05 0.00 0.03 0.00 0.00 46.19 42.28 2chg s LEU 114 CO 0.43 -0.32 1.12 0.42 0.23 0.00 0.00 176.35 178.23 2chg s THR 115 N -1.61 2.95 0.47 5.49 -4.23 -1.26 -4.79 115.64 112.67 2chg s THR 115 Ca 0.54 0.37 0.13 0.00 -1.18 0.00 0.00 61.69 61.56 2chg s THR 115 Cb -0.22 -2.81 0.28 0.00 1.34 0.00 0.00 72.50 71.09 2chg s THR 115 CO 0.27 -0.34 2.09 0.00 -0.54 0.00 0.00 174.62 176.10 2chg h ALA 116 N -0.74 1.93 -0.02 3.99 0.00 -1.96 0.49 119.26 122.94 2chg h ALA 116 Ca -0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2chg h ALA 116 Cb 1.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2chg h ALA 116 CO 0.50 0.04 0.00 -0.44 0.00 0.00 0.00 179.25 179.36 2chg h ASP 117 N 0.24 0.03 -0.38 0.00 3.45 -1.99 -1.41 116.42 116.36 2chg h ASP 117 Ca 0.10 -0.22 -0.04 0.00 0.43 0.00 0.00 57.03 57.30 2chg h ASP 117 Cb 0.09 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 2chg h ASP 117 CO -0.02 0.24 0.12 0.00 -1.57 0.00 0.00 179.24 178.01 2chg h ALA 118 N 0.78 1.38 -0.02 3.45 0.00 -1.73 -1.95 119.26 121.17 2chg h ALA 118 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2chg h ALA 118 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2chg h ALA 118 CO 0.00 0.45 -0.44 1.96 0.00 0.00 0.00 179.25 181.22 2chg h GLN 119 N 0.64 0.04 -0.42 0.00 4.20 -0.83 -0.28 115.11 118.47 2chg h GLN 119 Ca 0.15 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 2chg h GLN 119 Cb 0.23 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2chg h GLN 119 CO -0.01 0.48 -0.27 0.00 -0.67 0.00 0.00 178.83 178.36 2chg h ALA 120 N 1.52 0.73 0.47 3.87 0.00 -0.53 -1.57 119.26 123.74 2chg h ALA 120 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2chg h ALA 120 Cb 0.80 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2chg h ALA 120 CO 0.06 0.66 -0.22 0.00 0.00 0.00 0.00 179.25 179.75 2chg h ALA 121 N 0.93 -0.63 -1.00 0.00 0.00 -1.06 -2.85 119.26 114.65 2chg h ALA 121 Ca 0.09 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 55.08 2chg h ALA 121 Cb 0.83 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 2chg h ALA 121 CO 0.07 -0.71 0.58 1.25 0.00 0.00 0.00 179.25 180.43 2chg h LEU 122 N -0.90 0.61 -1.14 0.00 5.85 -1.10 -0.44 115.31 118.19 2chg h LEU 122 Ca -0.06 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2chg h LEU 122 Cb 0.58 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2chg h LEU 122 CO 0.11 0.03 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.09 2chg h ARG 123 N 0.50 0.54 -0.54 1.25 2.43 -1.12 0.30 114.38 117.73 2chg h ARG 123 Ca 0.67 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.70 2chg h ARG 123 Cb 1.35 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 2chg h ARG 123 CO -0.52 0.60 0.31 0.00 -1.51 0.00 0.00 179.97 178.86 2chg h ARG 124 N 0.51 0.75 -0.70 0.20 3.08 -0.85 -0.66 114.38 116.71 2chg h ARG 124 Ca 0.10 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2chg h ARG 124 Cb 0.41 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2chg h ARG 124 CO 0.02 0.56 0.32 1.15 -1.07 0.00 0.00 179.97 180.95 2chg h THR 125 N 0.73 1.24 -0.62 2.04 2.02 -1.30 -1.45 112.91 115.57 2chg h THR 125 Ca 0.19 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2chg h THR 125 Cb 0.02 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 2chg h THR 125 CO -0.03 0.28 0.36 0.24 0.37 0.00 0.00 175.52 176.74 2chg h MET 126 N 0.98 0.85 -0.11 6.66 2.86 -0.34 -2.35 114.93 123.48 2chg h MET 126 Ca 0.24 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.63 2chg h MET 126 Cb 0.14 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 2chg h MET 126 CO -0.03 0.60 -0.68 0.93 1.06 0.00 0.00 176.91 178.79 2chg h GLU 127 N 0.86 0.45 -0.20 1.72 4.39 -0.89 -2.05 114.58 118.86 2chg h GLU 127 Ca 0.22 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.60 2chg h GLU 127 Cb -0.01 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2chg h GLU 127 CO -0.04 0.97 0.06 1.98 -1.16 0.00 0.00 179.01 180.82 2chg h MET 128 N 0.32 0.14 -0.48 2.33 4.05 -0.77 -3.07 114.93 117.45 2chg h MET 128 Ca -0.02 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.26 2chg h MET 128 Cb 1.25 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.94 2chg h MET 128 CO 0.12 0.09 0.09 0.66 0.23 0.00 0.00 176.91 178.11 2chg n TYR 129 N -5.06 1.59 0.24 1.39 4.02 -0.93 -4.67 117.16 113.74 2chg n TYR 129 Ca -0.03 -1.17 0.08 0.00 -0.01 0.00 0.00 57.90 56.77 2chg n TYR 129 Cb 0.08 -0.51 0.60 0.00 -0.02 0.00 0.00 39.34 39.49 2chg n TYR 129 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2chg h SER 130 N 1.98 0.00 0.22 7.72 4.64 -1.27 -0.87 113.55 125.96 2chg h SER 130 Ca 0.16 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.13 2chg h SER 130 Cb 1.86 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.97 2chg h SER 130 CO 0.47 0.14 -1.67 0.11 -0.87 0.00 0.00 176.83 175.01 2chg h LYS 131 N 0.00 0.45 0.00 4.77 1.57 -1.84 -3.39 116.57 118.13 2chg h LYS 131 Ca -0.00 -0.76 -0.04 0.00 -1.87 0.00 0.00 60.65 57.97 2chg h LYS 131 Cb 0.27 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2chg h LYS 131 CO 0.02 1.37 -0.88 0.66 -0.57 0.00 0.00 179.45 180.04 2chg h SER 132 N 0.12 0.00 -3.47 0.86 4.64 -1.87 -3.47 113.55 110.36 2chg h SER 132 Ca -0.32 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.59 2chg h SER 132 Cb 2.13 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 64.07 2chg h SER 132 CO 0.21 0.16 -0.70 0.00 -0.87 0.00 0.00 176.83 175.63 2chg s ARG 134 N -3.73 1.96 -0.12 0.00 1.81 0.12 -4.54 118.95 114.45 2chg s ARG 134 Ca 0.24 -0.80 -0.03 0.00 -1.72 0.00 0.00 55.73 53.42 2chg s ARG 134 Cb 0.02 -1.82 -0.03 0.00 -0.45 0.00 0.00 34.95 32.67 2chg s ARG 134 CO 0.07 0.44 -0.01 -0.06 -0.68 0.00 0.00 175.30 175.06 2chg s PHE 135 N -0.39 3.11 -0.23 -0.53 0.40 -1.26 -0.91 117.98 118.17 2chg s PHE 135 Ca 0.05 0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 2chg s PHE 135 Cb -0.10 -1.88 0.04 0.00 0.51 0.00 0.00 43.02 41.59 2chg s PHE 135 CO 0.00 0.25 -0.13 0.42 0.70 0.00 0.00 175.22 176.47 2chg s ILE 136 N -0.28 2.31 -0.06 0.64 1.01 0.32 -1.05 121.20 124.09 2chg s ILE 136 Ca 0.06 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.44 2chg s ILE 136 Cb -0.12 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2chg s ILE 136 CO 0.02 0.21 0.01 -0.76 0.00 0.00 0.00 174.94 174.42 2chg s LEU 137 N 1.22 3.59 -0.07 2.97 1.43 0.39 -0.33 118.68 127.88 2chg s LEU 137 Ca -0.02 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2chg s LEU 137 Cb -0.17 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2chg s LEU 137 CO -0.07 0.34 -0.13 -0.55 0.23 0.00 0.00 176.35 176.17 2chg s SER 138 N -1.14 4.12 0.13 2.29 0.15 -0.29 -0.05 113.70 118.90 2chg s SER 138 Ca 0.16 -0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.54 2chg s SER 138 Cb -0.11 -1.04 -0.01 0.00 -1.71 0.00 0.00 66.02 63.14 2chg s SER 138 CO 0.05 0.31 0.21 0.00 1.20 0.00 0.00 173.24 175.02 2chg h ASN 140 N 2.68 0.47 -3.38 0.00 -0.26 -1.84 -2.19 115.58 111.05 2chg h ASN 140 Ca -0.33 -0.79 -0.41 0.00 -0.56 0.00 0.00 56.30 54.21 2chg h ASN 140 Cb 1.21 -0.15 -0.36 0.00 -1.06 0.00 0.00 38.32 37.96 2chg h ASN 140 CO 0.53 1.68 -0.77 -0.31 -1.06 0.00 0.00 177.43 177.51 2chg s TYR 141 N -2.58 0.65 0.38 1.19 1.51 -1.26 -3.08 117.35 114.16 2chg s TYR 141 Ca -0.15 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 55.81 2chg s TYR 141 Cb 0.06 -0.68 0.79 0.00 -0.11 0.00 0.00 41.96 42.02 2chg s TYR 141 CO 0.83 -0.24 2.00 0.28 -1.11 0.00 0.00 175.55 177.31 2chg h VAL 142 N 6.23 1.06 0.00 0.71 2.07 -1.95 -1.82 116.25 122.55 2chg h VAL 142 Ca -0.31 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2chg h VAL 142 Cb 1.14 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2chg h VAL 142 CO 0.39 0.12 -0.01 0.77 0.02 0.00 0.00 177.57 178.86 2chg h SER 143 N 0.68 0.00 0.13 0.57 4.64 -2.01 -0.40 113.55 117.16 2chg h SER 143 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2chg h SER 143 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2chg h SER 143 CO -0.07 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.44 2chg n ARG 144 N -3.94 0.72 -4.44 4.77 3.00 -0.68 -4.76 116.66 111.33 2chg n ARG 144 Ca -0.03 0.01 -0.34 0.00 -0.01 0.00 0.00 57.85 57.49 2chg n ARG 144 Cb 0.09 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 30.93 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 -2.16 3.83 0.56 0.55 -1.09 -0.16 -4.72 121.20 118.01 2chg s ILE 145 Ca 0.36 -0.38 -0.20 0.00 -2.23 0.00 0.00 60.65 58.20 2chg s ILE 145 Cb 0.18 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 2chg s ILE 145 CO 0.34 0.50 1.27 0.27 -1.23 0.00 0.00 174.94 176.09 2chg s ILE 146 N 0.29 2.41 0.22 2.92 -4.36 -1.26 -4.72 121.20 116.71 2chg s ILE 146 Ca -0.04 0.29 -0.09 0.00 -0.26 0.00 0.00 60.65 60.55 2chg s ILE 146 Cb -0.14 -3.13 0.19 0.00 1.25 0.00 0.00 42.46 40.62 2chg s ILE 146 CO 0.03 -0.03 1.89 -0.08 0.24 0.00 0.00 174.94 177.00 2chg h GLU 147 N 1.25 1.10 -0.56 0.37 4.22 -1.95 -0.80 114.58 118.21 2chg h GLU 147 Ca -0.51 -0.07 0.16 0.00 0.08 0.00 0.00 59.36 59.02 2chg h GLU 147 Cb 1.30 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2chg h GLU 147 CO 0.56 0.74 0.40 -1.35 -2.18 0.00 0.00 179.01 177.18 2chg h PRO 148 N 1.13 0.02 0.00 0.92 0.11 -2.00 -1.58 132.00 130.61 2chg h PRO 148 Ca 0.31 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 2chg h PRO 148 Cb -0.12 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.98 2chg h PRO 148 CO -0.07 0.01 -0.00 0.82 -0.21 0.00 0.00 178.00 178.56 2chg h ILE 149 N 0.02 1.33 -0.78 4.15 2.04 -1.54 -3.35 117.51 119.38 2chg h ILE 149 Ca 0.27 -1.98 0.18 0.00 1.00 0.00 0.00 64.86 64.32 2chg h ILE 149 Cb 1.04 2.51 -0.13 0.00 -0.74 0.00 0.00 36.82 39.49 2chg h ILE 149 CO -0.01 0.45 0.03 1.56 0.00 0.00 0.00 178.15 180.18 2chg h GLN 150 N -0.99 0.11 0.00 2.37 4.20 -1.08 -1.20 115.11 118.52 2chg h GLN 150 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2chg h GLN 150 Cb 0.74 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2chg h GLN 150 CO 0.00 0.07 0.00 -1.13 -0.67 0.00 0.00 178.83 177.10 2chg n SER 151 N -5.34 0.03 -0.84 1.46 3.41 -0.62 -2.10 113.62 109.63 2chg n SER 151 Ca 0.15 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 2chg n SER 151 Cb 0.50 -0.51 0.11 0.00 -0.26 0.00 0.00 64.21 64.05 2chg n SER 151 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2chg n ARG 152 N -1.53 1.88 -4.41 4.33 5.12 -0.46 -4.96 116.66 116.63 2chg n ARG 152 Ca 0.03 -1.80 -0.29 0.00 -1.93 0.00 0.00 57.85 53.86 2chg n ARG 152 Cb 0.17 -1.39 -0.12 0.00 -1.16 0.00 0.00 32.46 29.96 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 -1.07 3.33 -0.23 0.00 0.00 0.13 -4.88 121.76 119.05 2chg s ALA 154 Ca 0.16 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 2chg s ALA 154 Cb -0.10 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2chg s ALA 154 CO 0.07 0.07 0.12 0.08 0.00 0.00 0.00 175.76 176.10 2chg s VAL 155 N -0.21 5.02 -0.16 0.00 1.01 -1.26 -0.66 120.40 124.13 2chg s VAL 155 Ca 0.41 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 2chg s VAL 155 Cb -0.22 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2chg s VAL 155 CO 0.26 0.37 -0.12 -0.36 0.00 0.00 0.00 175.10 175.25 2chg s PHE 156 N 1.00 2.84 -0.41 5.22 0.40 0.71 -4.96 117.98 122.78 2chg s PHE 156 Ca 0.06 -0.86 -0.16 0.00 -0.60 0.00 0.00 56.93 55.37 2chg s PHE 156 Cb -0.14 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.49 2chg s PHE 156 CO 0.04 -0.39 0.37 1.03 0.70 0.00 0.00 175.22 176.97 2chg s ARG 157 N 0.78 3.06 0.19 0.44 0.52 -1.26 -0.62 118.95 122.06 2chg s ARG 157 Ca -0.05 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.00 2chg s ARG 157 Cb -0.15 -3.97 -0.08 0.00 0.52 0.00 0.00 34.95 31.27 2chg s ARG 157 CO 0.01 -0.79 1.00 -0.06 0.02 0.00 0.00 175.30 175.48 2chg s PHE 158 N 1.91 3.81 0.35 -0.53 0.40 0.17 -4.87 117.98 119.23 2chg s PHE 158 Ca 0.09 1.79 0.08 0.00 -0.60 0.00 0.00 56.93 58.29 2chg s PHE 158 Cb -0.18 -3.10 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 2chg s PHE 158 CO 0.12 0.05 0.19 0.15 0.70 0.00 0.00 175.22 176.43 2chg s LYS 159 N -0.69 2.43 0.42 0.44 -0.14 -1.26 -4.27 119.74 116.67 2chg s LYS 159 Ca 0.45 -1.53 -0.26 0.00 -1.36 0.00 0.00 55.97 53.27 2chg s LYS 159 Cb -0.27 -2.22 -0.08 0.00 -1.68 0.00 0.00 37.83 33.58 2chg s LYS 159 CO 0.33 0.06 1.33 -2.14 -0.76 0.00 0.00 175.35 174.17 2chg s PRO 160 N -3.90 3.88 -0.07 -1.68 0.02 -1.26 -4.88 135.00 127.11 2chg s PRO 160 Ca 0.39 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 63.34 2chg s PRO 160 Cb -0.02 -2.71 -0.02 0.00 0.02 0.00 0.00 34.50 31.76 2chg s PRO 160 CO 0.24 -0.58 0.89 0.14 -0.33 0.00 0.00 177.00 177.36 2chg s VAL 161 N -1.26 4.89 0.59 3.83 -7.23 -1.26 -5.02 120.40 114.94 2chg s VAL 161 Ca 0.58 1.84 -0.20 0.00 -1.81 0.00 0.00 61.98 62.39 2chg s VAL 161 Cb -0.39 -4.22 -0.03 0.00 0.56 0.00 0.00 36.38 32.30 2chg s VAL 161 CO 0.50 0.12 1.27 -2.84 -0.31 0.00 0.00 175.10 173.84 2chg s PRO 162 N 1.39 2.94 0.32 4.82 0.02 -1.26 -4.86 135.00 138.37 2chg s PRO 162 Ca 0.45 1.99 0.10 0.00 0.02 0.00 0.00 61.00 63.56 2chg s PRO 162 Cb -0.19 -2.01 0.97 0.00 0.02 0.00 0.00 34.50 33.29 2chg s PRO 162 CO 0.21 -1.28 1.62 -0.22 -0.33 0.00 0.00 177.00 177.00 2chg h LYS 163 N 1.00 0.16 -0.20 5.54 3.64 -2.00 -1.62 116.57 123.09 2chg h LYS 163 Ca -0.51 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.74 2chg h LYS 163 Cb 1.31 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2chg h LYS 163 CO 0.55 0.11 -0.42 0.93 -2.27 0.00 0.00 179.45 178.35 2chg h GLU 164 N 0.17 0.48 -0.17 1.90 3.07 -1.99 -1.25 114.58 116.78 2chg h GLU 164 Ca 0.68 -0.24 -0.18 0.00 -0.50 0.00 0.00 59.36 59.11 2chg h GLU 164 Cb 1.54 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.46 2chg h GLU 164 CO -0.71 0.81 -0.63 0.00 -1.40 0.00 0.00 179.01 177.08 2chg h ALA 165 N 1.16 0.56 -0.44 3.43 0.00 -1.66 -2.10 119.26 120.20 2chg h ALA 165 Ca 0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 2chg h ALA 165 Cb 0.90 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2chg h ALA 165 CO 0.08 0.70 -0.22 1.98 0.00 0.00 0.00 179.25 181.79 2chg h MET 166 N 0.46 0.93 -0.10 0.00 1.85 -1.22 -2.55 114.93 114.29 2chg h MET 166 Ca -0.01 -0.41 0.04 0.00 -0.61 0.00 0.00 59.70 58.71 2chg h MET 166 Cb 1.21 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 33.18 2chg h MET 166 CO 0.12 1.07 -0.14 -0.22 -0.40 0.00 0.00 176.91 177.34 2chg h LYS 167 N 0.77 -0.17 -0.85 0.39 3.64 -1.17 -0.76 116.57 118.42 2chg h LYS 167 Ca 0.10 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2chg h LYS 167 Cb 0.79 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 2chg h LYS 167 CO 0.07 -0.12 0.46 -0.22 -2.27 0.00 0.00 179.45 177.37 2chg h LYS 168 N -0.18 1.18 -0.10 1.90 3.64 -1.37 -1.63 116.57 120.02 2chg h LYS 168 Ca 0.08 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2chg h LYS 168 Cb 0.30 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2chg h LYS 168 CO -0.21 0.88 -0.12 -0.09 -2.27 0.00 0.00 179.45 177.63 2chg h ARG 169 N 1.18 0.26 -0.96 1.90 9.65 -1.29 -2.19 114.38 122.94 2chg h ARG 169 Ca 0.30 -0.15 0.03 0.00 -1.10 0.00 0.00 59.98 59.06 2chg h ARG 169 Cb 0.04 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.58 2chg h ARG 169 CO -0.05 0.70 0.63 -0.07 2.80 0.00 0.00 179.97 183.98 2chg h LEU 170 N -0.16 1.05 -0.26 3.80 3.38 -0.97 -2.10 115.31 120.05 2chg h LEU 170 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2chg h LEU 170 Cb 0.66 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2chg h LEU 170 CO 0.03 0.73 0.07 -0.07 0.09 0.00 0.00 178.44 179.29 2chg h LEU 171 N 1.22 0.39 -0.72 1.67 3.38 -1.28 -0.54 115.31 119.44 2chg h LEU 171 Ca 0.38 -0.22 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2chg h LEU 171 Cb -0.01 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.51 2chg h LEU 171 CO -0.11 0.51 0.04 -0.33 0.09 0.00 0.00 178.44 178.64 2chg h GLU 172 N 0.26 0.13 -0.72 1.13 5.08 -0.99 0.13 114.58 119.60 2chg h GLU 172 Ca 0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2chg h GLU 172 Cb 0.26 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2chg h GLU 172 CO -0.00 0.09 0.38 0.82 -1.00 0.00 0.00 179.01 179.30 2chg h ILE 173 N 0.14 1.23 -0.89 3.13 2.04 -1.15 -2.52 117.51 119.49 2chg h ILE 173 Ca 0.39 -0.59 0.10 0.00 1.00 0.00 0.00 64.86 65.77 2chg h ILE 173 Cb 0.68 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2chg h ILE 173 CO -0.60 0.25 0.58 0.00 0.00 0.00 0.00 178.15 178.38 2chg h GLU 175 N 0.88 -0.79 -1.27 0.00 4.39 -0.86 0.21 114.58 117.14 2chg h GLU 175 Ca 0.41 0.05 0.37 0.00 0.34 0.00 0.00 59.36 60.53 2chg h GLU 175 Cb 0.41 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.16 2chg h GLU 175 CO -0.18 -0.52 0.88 0.87 -1.16 0.00 0.00 179.01 178.90 2chg h LYS 176 N -1.21 0.10 -0.02 2.33 6.56 -1.36 -1.29 116.57 121.67 2chg h LYS 176 Ca -0.08 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 2chg h LYS 176 Cb 0.64 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 2chg h LYS 176 CO 0.14 0.06 -0.10 0.39 -2.06 0.00 0.00 179.45 177.88 2chg n GLU 177 N -4.32 1.43 -3.38 3.15 -0.58 -0.68 -5.00 120.64 111.27 2chg n GLU 177 Ca 0.29 -1.27 -0.19 0.00 -0.42 0.00 0.00 57.16 55.58 2chg n GLU 177 Cb 1.28 -1.30 0.07 0.00 -0.57 0.00 0.00 31.44 30.92 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 0.99 -0.27 3.73 0.62 0.00 -0.31 -4.98 105.19 104.98 2chg n GLY 178 Ca 0.09 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.26 5.01 -0.31 1.61 1.01 0.60 -5.03 120.40 120.03 2chg s VAL 179 Ca 0.44 1.31 -0.10 0.00 0.00 0.00 0.00 61.98 63.64 2chg s VAL 179 Cb -0.20 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2chg s VAL 179 CO 0.60 0.32 0.16 -0.54 0.00 0.00 0.00 175.10 175.63 2chg s LYS 180 N 0.43 3.38 -0.03 2.72 1.02 -1.26 -4.71 119.74 121.29 2chg s LYS 180 Ca 0.34 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.66 2chg s LYS 180 Cb -0.18 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 2chg s LYS 180 CO 0.17 -0.40 -0.11 -1.50 -0.92 0.00 0.00 175.35 172.59 2chg s ILE 181 N 1.63 0.91 0.70 2.17 2.07 -1.26 0.12 121.20 127.54 2chg s ILE 181 Ca 0.05 -0.43 -0.11 0.00 -1.41 0.00 0.00 60.65 58.75 2chg s ILE 181 Cb -0.17 -0.81 0.01 0.00 0.13 0.00 0.00 42.46 41.63 2chg s ILE 181 CO 0.07 0.28 1.07 0.42 -1.91 0.00 0.00 174.94 174.87 2chg s THR 182 N 0.19 3.86 0.27 4.00 -4.23 0.01 -4.88 115.64 114.86 2chg s THR 182 Ca -0.04 0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 2chg s THR 182 Cb -0.09 -3.47 0.22 0.00 1.34 0.00 0.00 72.50 70.50 2chg s THR 182 CO 0.01 -0.79 1.89 -0.08 -0.54 0.00 0.00 174.62 175.11 2chg h GLU 183 N -0.69 1.09 -0.07 3.99 4.57 -2.00 -0.77 114.58 120.70 2chg h GLU 183 Ca -0.45 -0.12 -0.14 0.00 -1.18 0.00 0.00 59.36 57.47 2chg h GLU 183 Cb 1.23 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 2chg h GLU 183 CO 0.60 0.80 -0.57 0.22 -1.18 0.00 0.00 179.01 178.88 2chg h ASP 184 N 1.09 0.25 0.14 1.04 -0.00 -1.93 -1.96 116.42 115.06 2chg h ASP 184 Ca 0.28 -0.13 0.00 0.00 -0.00 0.00 0.00 57.03 57.17 2chg h ASP 184 Cb 0.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.28 2chg h ASP 184 CO -0.04 0.77 -0.12 1.23 -0.00 0.00 0.00 179.24 181.07 2chg h GLY 185 N 1.46 -0.27 0.49 -0.78 0.00 -1.55 -0.59 103.07 101.82 2chg h GLY 185 Ca -0.00 0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.56 2chg h GLY 185 CO 0.09 -0.13 0.39 -2.00 0.00 0.00 0.00 176.54 174.89 2chg h LEU 186 N -0.28 0.52 -0.84 3.11 6.46 -1.08 -0.44 115.31 122.76 2chg h LEU 186 Ca -0.00 0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 57.69 2chg h LEU 186 Cb 0.26 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2chg h LEU 186 CO -0.02 0.30 -0.48 -0.33 -0.62 0.00 0.00 178.44 177.29 2chg h GLU 187 N 0.65 0.23 -0.35 1.25 4.39 -1.10 -0.33 114.58 119.32 2chg h GLU 187 Ca 0.36 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.86 2chg h GLU 187 Cb 0.37 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2chg h GLU 187 CO -0.26 0.67 -0.10 0.00 -1.16 0.00 0.00 179.01 178.16 2chg h ALA 188 N 1.31 1.17 0.26 3.43 0.00 -0.63 -2.09 119.26 122.72 2chg h ALA 188 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2chg h ALA 188 Cb 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2chg h ALA 188 CO 0.07 0.53 -0.13 1.25 0.00 0.00 0.00 179.25 180.98 2chg h LEU 189 N 0.55 -0.30 -1.07 0.00 5.85 -0.16 -2.26 115.31 117.92 2chg h LEU 189 Ca 0.10 -0.20 0.15 0.00 0.84 0.00 0.00 57.88 58.77 2chg h LEU 189 Cb 0.50 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 2chg h LEU 189 CO 0.03 0.07 0.62 0.40 -0.34 0.00 0.00 178.44 179.21 2chg h ILE 190 N -0.70 0.84 0.27 4.05 2.04 -1.12 -1.96 117.51 120.94 2chg h ILE 190 Ca -0.04 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2chg h ILE 190 Cb 0.48 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2chg h ILE 190 CO 0.06 0.16 -0.13 0.22 0.00 0.00 0.00 178.15 178.46 2chg h TYR 191 N 0.87 -0.34 -0.83 1.37 -0.00 -1.24 -2.74 116.97 114.06 2chg h TYR 191 Ca 0.51 -0.01 0.14 0.00 -0.00 0.00 0.00 58.73 59.38 2chg h TYR 191 Cb 0.66 0.11 -0.06 0.00 -0.00 0.00 0.00 36.73 37.44 2chg h TYR 191 CO -0.00 -0.14 0.54 0.82 -0.00 0.00 0.00 178.16 179.37 2chg h ILE 192 N -0.47 0.82 -0.68 1.81 5.03 -1.18 -3.11 117.51 119.73 2chg h ILE 192 Ca -0.04 -0.20 0.04 0.00 -0.12 0.00 0.00 64.86 64.54 2chg h ILE 192 Cb 0.35 0.20 -0.04 0.00 -3.03 0.00 0.00 36.82 34.31 2chg h ILE 192 CO 0.06 0.10 0.45 0.77 -0.68 0.00 0.00 178.15 178.86 2chg h SER 193 N 0.57 0.70 -0.78 1.72 4.64 -1.03 -3.46 113.55 115.90 2chg h SER 193 Ca 0.41 -0.01 -0.34 0.00 -0.47 0.00 0.00 61.79 61.38 2chg h SER 193 Cb 0.77 -0.16 -0.13 0.00 -0.31 0.00 0.00 62.40 62.56 2chg h SER 193 CO -0.16 0.48 -0.31 0.61 -0.87 0.00 0.00 176.83 176.58 2chg n GLY 194 N -1.44 1.59 1.62 -0.77 0.00 -1.18 -1.76 105.19 103.25 2chg n GLY 194 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.31 0.53 3.22 -0.02 0.00 -1.26 -5.04 105.19 102.31 2chg n GLY 195 Ca -0.16 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.54 5.09 0.22 1.61 -1.08 -0.72 -4.69 116.67 114.55 2chg s ASP 196 Ca 0.00 -1.21 -0.09 0.00 -0.52 0.00 0.00 52.55 50.73 2chg s ASP 196 Cb 0.00 -1.79 0.18 0.00 -1.46 0.00 0.00 42.92 39.86 2chg s ASP 196 CO 0.00 -0.29 1.89 -0.26 0.52 0.00 0.00 175.17 177.03 2chg h PHE 197 N 8.10 1.02 -0.18 -5.34 -1.00 -1.87 -2.22 116.94 115.45 2chg h PHE 197 Ca -0.22 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.62 2chg h PHE 197 Cb 1.07 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 40.25 2chg h PHE 197 CO 0.61 0.64 -0.04 -0.09 -1.61 0.00 0.00 178.31 177.82 2chg h ARG 198 N 1.10 0.01 -0.42 1.51 2.43 -1.94 0.01 114.38 117.07 2chg h ARG 198 Ca 0.30 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 2chg h ARG 198 Cb -0.13 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 2chg h ARG 198 CO -0.07 0.00 0.23 -0.22 -1.51 0.00 0.00 179.97 178.41 2chg h LYS 199 N 0.01 0.44 -0.33 0.20 3.64 -1.81 -1.51 116.57 117.21 2chg h LYS 199 Ca 0.09 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2chg h LYS 199 Cb 0.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2chg h LYS 199 CO -0.18 0.29 -0.01 0.00 -2.27 0.00 0.00 179.45 177.28 2chg h ALA 200 N 1.21 0.44 -0.45 5.00 0.00 -0.96 -1.80 119.26 122.71 2chg h ALA 200 Ca 0.18 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2chg h ALA 200 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2chg h ALA 200 CO -0.11 0.21 -0.10 0.82 0.00 0.00 0.00 179.25 180.07 2chg h ILE 201 N 0.38 1.27 -0.94 0.00 2.04 -0.97 0.12 117.51 119.41 2chg h ILE 201 Ca 0.09 -1.21 0.02 0.00 1.00 0.00 0.00 64.86 64.76 2chg h ILE 201 Cb 0.46 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 2chg h ILE 201 CO 0.02 0.41 0.62 0.78 0.00 0.00 0.00 178.15 179.98 2chg h ASN 202 N 0.69 1.07 -0.27 1.72 2.35 -1.22 -0.08 115.58 119.84 2chg h ASN 202 Ca 0.11 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2chg h ASN 202 Cb 0.64 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2chg h ASN 202 CO 0.04 0.76 -0.04 0.00 -1.65 0.00 0.00 177.43 176.54 2chg h ALA 203 N 1.36 0.38 -0.35 -0.83 0.00 -0.99 -2.16 119.26 116.66 2chg h ALA 203 Ca 0.36 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2chg h ALA 203 Cb -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2chg h ALA 203 CO -0.09 0.16 0.18 1.25 0.00 0.00 0.00 179.25 180.75 2chg h LEU 204 N 0.28 0.26 -0.25 0.00 5.85 -0.45 0.27 115.31 121.27 2chg h LEU 204 Ca 0.07 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2chg h LEU 204 Cb 0.50 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2chg h LEU 204 CO 0.02 0.20 0.11 -0.61 -0.34 0.00 0.00 178.44 177.82 2chg h GLN 205 N 0.37 0.23 -0.82 1.25 4.15 -0.94 0.30 115.11 119.65 2chg h GLN 205 Ca 0.15 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 2chg h GLN 205 Cb 0.05 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 2chg h GLN 205 CO -0.10 0.15 0.47 0.78 -1.93 0.00 0.00 178.83 178.20 2chg h GLY 206 N 0.24 1.21 1.37 2.39 0.00 -1.03 -1.94 103.07 105.31 2chg h GLY 206 Ca 0.10 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 2chg h GLY 206 CO -0.08 0.50 -0.34 0.00 0.00 0.00 0.00 176.54 176.62 2chg h ALA 207 N 1.38 0.81 0.00 3.60 0.00 -0.07 -3.15 119.26 121.83 2chg h ALA 207 Ca 0.29 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2chg h ALA 207 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2chg h ALA 207 CO -0.05 0.64 -0.57 0.00 0.00 0.00 0.00 179.25 179.27 2chg h ALA 208 N 1.03 0.89 0.00 0.00 0.00 -0.66 -3.11 119.26 117.41 2chg h ALA 208 Ca 0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2chg h ALA 208 Cb 0.86 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2chg h ALA 208 CO 0.07 0.71 -0.05 0.00 0.00 0.00 0.00 179.25 179.99 2chg h ALA 209 N 1.43 1.37 0.00 0.00 0.00 -1.31 -2.41 119.26 118.34 2chg h ALA 209 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2chg h ALA 209 Cb 1.13 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2chg h ALA 209 CO 0.07 0.06 -0.16 0.82 0.00 0.00 0.00 179.25 180.05 2chg h ILE 210 N 0.00 0.41 0.00 0.00 2.04 -1.66 -3.47 117.51 114.83 2chg h ILE 210 Ca -0.00 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2chg h ILE 210 Cb 0.15 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2chg h ILE 210 CO 0.01 0.15 0.00 0.61 0.00 0.00 0.00 178.15 178.92 2chg n GLY 211 N 0.04 0.95 0.00 5.37 0.00 -0.91 -5.05 105.19 105.59 2chg n GLY 211 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2chg n GLY 211 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2chg n GLU 212 N -2.00 0.67 -2.66 1.61 -0.58 -1.26 -5.06 120.64 111.36 2chg n GLU 212 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2chg n GLU 212 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 2chg n GLU 212 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2chg s VAL 213 N 0.30 4.51 -0.39 2.62 1.01 -1.26 -4.66 120.40 122.54 2chg s VAL 213 Ca 0.00 1.94 -0.26 0.00 0.00 0.00 0.00 61.98 63.66 2chg s VAL 213 Cb 0.00 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2chg s VAL 213 CO 0.00 0.23 0.93 -0.69 0.00 0.00 0.00 175.10 175.57 2chg s VAL 214 N 0.49 4.55 0.14 2.92 1.01 0.12 -4.94 120.40 124.69 2chg s VAL 214 Ca 0.51 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.59 2chg s VAL 214 Cb -0.24 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.78 2chg s VAL 214 CO 0.30 -0.61 0.01 -0.90 0.00 0.00 0.00 175.10 173.89 2chg n ASP 215 N 6.89 2.34 -0.21 3.32 5.68 -1.26 -0.81 116.55 132.51 2chg n ASP 215 Ca 0.07 -1.62 0.03 0.00 -0.50 0.00 0.00 54.79 52.77 2chg n ASP 215 Cb 0.48 0.09 0.28 0.00 -1.14 0.00 0.00 41.12 40.83 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 1.05 1.54 -0.32 2.12 0.00 -1.82 -1.37 119.26 120.47 2chg h ALA 216 Ca -0.12 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2chg h ALA 216 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2chg h ALA 216 CO 0.19 0.39 -0.44 -0.44 0.00 0.00 0.00 179.25 178.96 2chg h ASP 217 N 0.93 0.88 -0.67 0.00 3.32 -1.96 -1.32 116.42 117.59 2chg h ASP 217 Ca 0.29 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 2chg h ASP 217 Cb 0.02 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2chg h ASP 217 CO -0.08 1.19 0.21 0.71 -1.72 0.00 0.00 179.24 179.55 2chg h THR 218 N 0.65 1.25 -0.05 0.35 1.35 -1.76 0.10 112.91 114.81 2chg h THR 218 Ca 0.04 -0.88 -0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2chg h THR 218 Cb 1.01 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2chg h THR 218 CO 0.10 0.34 0.03 0.40 -0.25 0.00 0.00 175.52 176.14 2chg h ILE 219 N 1.03 1.06 -0.11 6.82 1.08 -0.99 -1.45 117.51 124.94 2chg h ILE 219 Ca 0.22 -0.18 -0.05 0.00 -0.39 0.00 0.00 64.86 64.46 2chg h ILE 219 Cb 0.30 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 2chg h ILE 219 CO -0.01 0.05 -0.18 1.88 -0.69 0.00 0.00 178.15 179.21 2chg h TYR 220 N 0.01 0.18 -0.44 1.37 0.05 -1.12 -1.43 116.97 115.59 2chg h TYR 220 Ca 0.02 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 2chg h TYR 220 Cb 0.06 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 2chg h TYR 220 CO -0.05 0.35 0.09 0.37 -1.05 0.00 0.00 178.16 177.86 2chg h GLN 221 N 0.16 0.72 -0.45 4.88 4.15 -0.51 0.51 115.11 124.57 2chg h GLN 221 Ca 0.03 -0.18 -0.13 0.00 0.77 0.00 0.00 58.65 59.14 2chg h GLN 221 Cb 0.41 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2chg h GLN 221 CO 0.03 0.74 -0.23 0.82 -1.93 0.00 0.00 178.83 178.25 2chg h ILE 222 N 0.59 1.27 0.00 2.39 1.08 -1.06 -3.15 117.51 118.63 2chg h ILE 222 Ca 0.14 -1.39 -0.09 0.00 -0.39 0.00 0.00 64.86 63.13 2chg h ILE 222 Cb 0.35 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 2chg h ILE 222 CO 0.01 0.47 -0.43 0.74 -0.69 0.00 0.00 178.15 178.25 2chg h THR 223 N 0.81 1.01 0.00 -0.27 2.02 -1.19 -3.51 112.91 111.78 2chg h THR 223 Ca 0.10 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.62 2chg h THR 223 Cb 0.80 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2chg h THR 223 CO 0.07 0.42 0.00 0.00 0.37 0.00 0.00 175.52 176.38