#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aet s VAL 5 N 0.00 2.94 -0.29 4.08 1.01 -1.26 -4.79 120.40 122.09 1aet s VAL 5 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1aet s VAL 5 Cb 0.00 -2.15 0.09 0.00 0.00 0.00 0.00 36.38 34.32 1aet s VAL 5 CO 0.00 0.59 0.05 -1.00 0.00 0.00 0.00 175.10 174.74 1aet s HIS 6 N -0.64 2.30 -0.12 5.22 3.76 -1.26 -5.06 115.29 119.49 1aet s HIS 6 Ca 0.09 -1.98 -0.17 0.00 -0.15 0.00 0.00 55.06 52.85 1aet s HIS 6 Cb -0.11 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 1aet s HIS 6 CO 0.01 -0.85 0.44 0.08 -0.85 0.00 0.00 174.74 173.57 1aet s VAL 7 N 1.42 5.19 0.14 -0.90 1.01 -1.26 -1.19 120.40 124.80 1aet s VAL 7 Ca 0.06 0.88 -0.31 0.00 0.00 0.00 0.00 61.98 62.61 1aet s VAL 7 Cb -0.18 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 1aet s VAL 7 CO -0.16 0.35 1.40 0.00 0.00 0.00 0.00 175.10 176.70 1aet s ALA 8 N 0.48 3.61 -0.27 5.51 0.00 -0.28 -4.89 121.76 125.91 1aet s ALA 8 Ca 0.24 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1aet s ALA 8 Cb -0.15 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.49 1aet s ALA 8 CO 0.09 -0.63 -0.08 0.45 0.00 0.00 0.00 175.76 175.59 1aet s SER 9 N 0.99 4.42 0.21 0.00 0.15 0.33 -4.69 113.70 115.10 1aet s SER 9 Ca 0.64 -1.46 -0.32 0.00 0.70 0.00 0.00 55.95 55.50 1aet s SER 9 Cb -0.38 -1.51 -0.14 0.00 -1.71 0.00 0.00 66.02 62.28 1aet s SER 9 CO 0.32 -0.22 1.49 0.52 1.20 0.00 0.00 173.24 176.55 1aet n VAL 10 N 4.44 0.51 -1.67 4.45 0.31 -1.26 -4.35 118.33 120.75 1aet n VAL 10 Ca -0.12 -0.13 -0.50 0.00 -0.01 0.00 0.00 64.34 63.58 1aet n VAL 10 Cb 0.42 -1.52 -0.05 0.00 -0.91 0.00 0.00 33.84 31.78 1aet n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1aet n GLU 11 N 2.67 1.81 -1.65 5.55 4.71 -1.26 -4.72 120.64 127.75 1aet n GLU 11 Ca 0.14 0.66 -0.47 0.00 -0.01 0.00 0.00 57.16 57.48 1aet n GLU 11 Cb 0.30 -2.43 -0.04 0.00 -1.01 0.00 0.00 31.44 28.26 1aet n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1aet n LYS 12 N 5.09 2.24 -0.56 3.49 4.81 -1.26 -1.80 118.16 130.16 1aet n LYS 12 Ca 0.22 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 1aet n LYS 12 Cb 0.24 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.52 1aet n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aet n GLY 13 N 4.74 0.75 3.85 3.14 0.00 -1.26 -5.04 105.19 111.37 1aet n GLY 13 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1aet n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aet s ARG 14 N -0.44 3.81 0.22 1.61 1.81 -0.75 -5.09 118.95 120.12 1aet s ARG 14 Ca 0.00 0.28 0.01 0.00 -1.72 0.00 0.00 55.73 54.30 1aet s ARG 14 Cb 0.00 -3.16 -0.00 0.00 -0.45 0.00 0.00 34.95 31.34 1aet s ARG 14 CO 0.00 0.67 0.03 -1.13 -0.68 0.00 0.00 175.30 174.19 1aet n SER 15 N 1.61 1.94 -0.22 0.23 3.41 -1.26 -4.89 113.62 114.43 1aet n SER 15 Ca -0.13 -2.07 0.01 0.00 -0.26 0.00 0.00 58.87 56.42 1aet n SER 15 Cb 0.53 0.33 0.09 0.00 -0.26 0.00 0.00 64.21 64.89 1aet n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1aet h TYR 16 N 1.22 -0.25 -0.37 7.33 3.20 -2.00 -0.80 116.97 125.30 1aet h TYR 16 Ca -0.18 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.75 1aet h TYR 16 Cb 0.61 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1aet h TYR 16 CO 0.00 -0.26 0.25 0.93 -1.64 0.00 0.00 178.16 177.44 1aet h GLU 17 N 0.03 0.48 -0.32 1.82 3.07 -1.99 -0.70 114.58 116.98 1aet h GLU 17 Ca 0.33 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.14 1aet h GLU 17 Cb 0.52 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1aet h GLU 17 CO -0.64 0.32 0.11 -0.44 -1.40 0.00 0.00 179.01 176.96 1aet h ASP 18 N 0.50 0.46 -0.32 1.42 3.32 -1.54 -2.70 116.42 117.56 1aet h ASP 18 Ca 0.14 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1aet h ASP 18 Cb -0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1aet h ASP 18 CO -0.03 0.53 -0.21 -0.26 -1.72 0.00 0.00 179.24 177.55 1aet h PHE 19 N 0.37 0.90 -0.50 4.55 0.04 -1.35 -2.45 116.94 118.51 1aet h PHE 19 Ca 0.11 -0.20 0.09 0.00 2.80 0.00 0.00 57.97 60.76 1aet h PHE 19 Cb 0.22 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1aet h PHE 19 CO 0.00 0.94 0.34 0.37 -0.60 0.00 0.00 178.31 179.36 1aet h GLN 20 N 0.70 0.27 -0.11 1.51 5.75 -1.05 -1.23 115.11 120.94 1aet h GLN 20 Ca 0.10 -0.02 -0.19 0.00 -0.15 0.00 0.00 58.65 58.39 1aet h GLN 20 Cb 0.72 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 1aet h GLN 20 CO 0.06 0.18 -0.71 0.87 -2.65 0.00 0.00 178.83 176.58 1aet h LYS 21 N 0.28 0.51 -0.49 1.69 1.57 -1.10 -0.25 116.57 118.77 1aet h LYS 21 Ca 0.23 -0.40 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1aet h LYS 21 Cb 0.54 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1aet h LYS 21 CO -0.05 1.03 0.06 0.28 -0.57 0.00 0.00 179.45 180.19 1aet h VAL 22 N 0.36 1.25 -0.01 0.50 2.07 -1.16 -1.70 116.25 117.56 1aet h VAL 22 Ca -0.03 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1aet h VAL 22 Cb 1.29 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1aet h VAL 22 CO 0.13 0.34 -0.03 0.22 0.02 0.00 0.00 177.57 178.25 1aet h TYR 23 N 0.70 -0.08 -0.92 1.57 5.03 -1.11 -1.89 116.97 120.28 1aet h TYR 23 Ca 0.15 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.52 1aet h TYR 23 Cb 0.43 0.04 -0.06 0.00 1.55 0.00 0.00 36.73 38.69 1aet h TYR 23 CO 0.03 -0.05 0.60 -0.91 -1.32 0.00 0.00 178.16 176.51 1aet h ASN 24 N -0.05 0.95 -0.58 -2.11 -0.26 -1.01 -1.07 115.58 111.45 1aet h ASN 24 Ca 0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.73 1aet h ASN 24 Cb 0.08 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.11 1aet h ASN 24 CO -0.04 0.62 0.23 0.00 -1.06 0.00 0.00 177.43 177.18 1aet h ALA 25 N 1.49 0.75 0.05 -0.83 0.00 -0.88 -1.62 119.26 118.22 1aet h ALA 25 Ca 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1aet h ALA 25 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1aet h ALA 25 CO -0.14 0.36 -0.02 0.82 0.00 0.00 0.00 179.25 180.27 1aet h ILE 26 N 0.80 1.02 -0.67 0.00 2.04 -1.20 -2.40 117.51 117.09 1aet h ILE 26 Ca 0.19 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1aet h ILE 26 Cb 0.20 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1aet h ILE 26 CO -0.02 0.05 0.37 0.00 0.00 0.00 0.00 178.15 178.56 1aet h ALA 27 N 0.79 1.38 -0.57 1.87 0.00 -1.12 0.14 119.26 121.75 1aet h ALA 27 Ca -0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1aet h ALA 27 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1aet h ALA 27 CO 0.01 0.51 -0.02 -0.07 0.00 0.00 0.00 179.25 179.68 1aet h LEU 28 N 0.94 1.00 -0.77 0.00 -0.00 -1.34 -1.92 115.31 113.22 1aet h LEU 28 Ca 0.24 -0.32 -0.11 0.00 -0.00 0.00 0.00 57.88 57.69 1aet h LEU 28 Cb 0.02 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.40 1aet h LEU 28 CO -0.04 1.08 -0.54 0.50 -0.00 0.00 0.00 178.44 179.44 1aet h LYS 29 N 0.90 0.00 -0.67 1.13 3.64 -0.88 -1.17 116.57 119.53 1aet h LYS 29 Ca 0.16 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1aet h LYS 29 Cb 0.57 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1aet h LYS 29 CO 0.03 0.54 0.30 -0.07 -2.27 0.00 0.00 179.45 177.98 1aet h LEU 30 N 0.00 0.89 -0.61 5.20 3.38 -0.80 -1.22 115.31 122.15 1aet h LEU 30 Ca -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1aet h LEU 30 Cb 1.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1aet h LEU 30 CO 0.07 0.79 0.30 -0.09 0.09 0.00 0.00 178.44 179.60 1aet h ARG 31 N 0.93 0.88 0.28 1.13 2.43 -1.08 -3.32 114.38 115.64 1aet h ARG 31 Ca 0.23 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1aet h ARG 31 Cb 0.15 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1aet h ARG 31 CO -0.02 0.71 -0.13 1.49 -1.51 0.00 0.00 179.97 180.50 1aet h GLU 32 N 0.84 -0.36 -1.98 0.20 4.81 -1.03 -3.31 114.58 113.75 1aet h GLU 32 Ca 0.21 0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 59.16 1aet h GLU 32 Cb 0.11 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.46 1aet h GLU 32 CO -0.03 -0.02 -0.04 -0.25 -0.73 0.00 0.00 179.01 177.95 1aet n ASP 33 N -5.09 5.77 0.00 1.04 9.92 -0.48 -4.64 116.55 123.07 1aet n ASP 33 Ca -0.09 -2.78 0.09 0.00 -0.53 0.00 0.00 54.79 51.47 1aet n ASP 33 Cb 0.26 -1.32 0.47 0.00 -0.64 0.00 0.00 41.12 39.89 1aet n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1aet n ASP 34 N 1.75 0.00 0.10 -2.24 5.75 -1.25 -3.56 116.55 117.09 1aet n ASP 34 Ca 0.43 -0.16 0.04 0.00 -0.01 0.00 0.00 54.79 55.09 1aet n ASP 34 Cb 0.75 -0.19 -0.01 0.00 -1.03 0.00 0.00 41.12 40.64 1aet n ASP 34 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1aet h GLU 35 N 0.00 0.00 -6.50 0.11 9.09 -1.91 -3.34 114.58 112.03 1aet h GLU 35 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.81 1aet h GLU 35 Cb 0.11 0.00 0.11 0.00 -1.65 0.00 0.00 28.75 27.32 1aet h GLU 35 CO 0.00 0.27 0.16 0.98 0.05 0.00 0.00 179.01 180.48 1aet n TYR 36 N -2.97 1.36 -3.60 2.06 9.36 -1.23 -1.07 117.16 121.06 1aet n TYR 36 Ca -0.03 0.69 -0.28 0.00 3.32 0.00 0.00 57.90 61.61 1aet n TYR 36 Cb 0.72 -2.26 0.04 0.00 -0.63 0.00 0.00 39.34 37.21 1aet n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1aet n ASP 37 N 1.18 -5.62 -3.95 2.98 2.03 -1.26 -1.43 116.55 110.48 1aet n ASP 37 Ca 0.09 -0.92 -0.27 0.00 0.52 0.00 0.00 54.79 54.21 1aet n ASP 37 Cb 0.32 -3.59 -0.01 0.00 -0.72 0.00 0.00 41.12 37.12 1aet n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1aet n ASN 38 N -2.66 -1.19 -1.24 1.67 4.13 -1.21 -2.22 115.26 112.54 1aet n ASN 38 Ca -0.10 -0.96 -0.16 0.00 1.68 0.00 0.00 54.58 55.04 1aet n ASN 38 Cb 0.59 -3.22 -0.06 0.00 -1.54 0.00 0.00 39.78 35.55 1aet n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1aet n TYR 39 N -4.40 -0.05 0.02 3.10 4.02 -0.23 -4.88 117.16 114.73 1aet n TYR 39 Ca -0.23 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.53 1aet n TYR 39 Cb 0.65 -2.76 -0.02 0.00 -0.02 0.00 0.00 39.34 37.18 1aet n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1aet h ILE 40 N 0.00 1.34 0.00 -0.72 2.04 -1.08 -3.47 117.51 115.61 1aet h ILE 40 Ca -0.32 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.42 1aet h ILE 40 Cb 1.04 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1aet h ILE 40 CO 0.47 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.87 1aet n GLY 41 N 0.68 -0.82 0.09 5.37 0.00 -0.52 -4.69 105.19 105.30 1aet n GLY 41 Ca -0.06 -1.69 0.15 0.00 0.00 0.00 0.00 46.02 44.41 1aet n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aet n TYR 42 N -0.83 0.00 0.00 1.61 4.01 -1.26 -4.44 117.16 116.26 1aet n TYR 42 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1aet n TYR 42 Cb 0.00 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 38.82 1aet n TYR 42 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1aet h GLY 43 N 4.97 -0.47 0.69 2.72 0.00 -1.94 -2.76 103.07 106.29 1aet h GLY 43 Ca 0.00 0.41 0.04 0.00 0.00 0.00 0.00 47.33 47.78 1aet h GLY 43 CO 0.00 -0.22 0.16 -2.55 0.00 0.00 0.00 176.54 173.93 1aet h PRO 44 N -0.41 0.32 0.00 4.80 0.11 -1.89 -2.23 132.00 132.71 1aet h PRO 44 Ca 0.09 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 1aet h PRO 44 Cb 0.56 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1aet h PRO 44 CO -0.36 0.21 -0.27 -0.24 -0.21 0.00 0.00 178.00 177.14 1aet h VAL 45 N 0.33 0.80 -0.06 3.15 3.04 -1.82 -1.40 116.25 120.29 1aet h VAL 45 Ca 0.18 -1.08 -0.21 0.00 -1.01 0.00 0.00 66.70 64.58 1aet h VAL 45 Cb 0.14 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1aet h VAL 45 CO -0.17 0.26 -0.84 -0.07 -1.01 0.00 0.00 177.57 175.74 1aet h LEU 46 N 0.00 0.63 -0.35 3.16 3.38 -1.24 0.54 115.31 121.43 1aet h LEU 46 Ca -0.00 -0.45 -0.15 0.00 0.09 0.00 0.00 57.88 57.36 1aet h LEU 46 Cb 0.64 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1aet h LEU 46 CO 0.03 1.23 -0.73 -0.37 0.09 0.00 0.00 178.44 178.70 1aet h VAL 47 N 0.33 1.40 -0.90 1.22 -1.51 -0.76 -2.01 116.25 114.01 1aet h VAL 47 Ca -0.06 -2.61 -0.00 0.00 -1.23 0.00 0.00 66.70 62.80 1aet h VAL 47 Cb 1.45 2.45 -0.04 0.00 -2.13 0.00 0.00 31.29 33.02 1aet h VAL 47 CO 0.15 0.71 0.55 -0.09 -1.23 0.00 0.00 177.57 177.66 1aet h ARG 48 N 0.00 1.22 -0.41 5.19 2.43 -1.17 -1.58 114.38 120.05 1aet h ARG 48 Ca -0.01 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1aet h ARG 48 Cb 1.40 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1aet h ARG 48 CO 0.09 0.85 0.09 1.25 -1.51 0.00 0.00 179.97 180.75 1aet h LEU 49 N 1.24 0.64 -0.83 3.80 5.85 -0.71 -0.20 115.31 125.10 1aet h LEU 49 Ca 0.32 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1aet h LEU 49 Cb -0.06 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1aet h LEU 49 CO -0.06 0.71 0.21 0.00 -0.34 0.00 0.00 178.44 178.96 1aet h ALA 50 N 0.95 1.05 -0.36 1.25 0.00 -1.06 -2.17 119.26 118.92 1aet h ALA 50 Ca 0.13 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1aet h ALA 50 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1aet h ALA 50 CO 0.00 0.64 -0.10 2.35 0.00 0.00 0.00 179.25 182.14 1aet h TRP 51 N 1.04 0.79 -0.45 0.00 2.91 -1.18 -2.93 115.95 116.13 1aet h TRP 51 Ca 0.23 -0.17 -0.09 0.00 1.13 0.00 0.00 58.89 59.99 1aet h TRP 51 Cb 0.30 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.74 1aet h TRP 51 CO 0.02 0.86 -0.07 0.45 -1.03 0.00 0.00 178.44 178.68 1aet h HIS 52 N 0.49 0.85 0.00 2.65 3.86 -0.82 0.25 115.15 122.42 1aet h HIS 52 Ca 0.09 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 1aet h HIS 52 Cb 0.62 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1aet h HIS 52 CO 0.05 0.82 -0.20 -0.84 0.86 0.00 0.00 177.93 178.62 1aet h ILE 53 N 0.72 0.51 0.00 2.45 -0.00 -1.49 -3.24 117.51 116.45 1aet h ILE 53 Ca 0.13 -1.05 -0.21 0.00 -0.00 0.00 0.00 64.86 63.72 1aet h ILE 53 Cb 0.53 1.73 -0.04 0.00 -0.00 0.00 0.00 36.82 39.05 1aet h ILE 53 CO 0.03 0.20 -1.43 0.28 -0.00 0.00 0.00 178.15 177.23 1aet h SER 54 N 0.00 0.00 0.39 2.16 0.02 -1.28 -3.11 113.55 111.74 1aet h SER 54 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1aet h SER 54 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1aet h SER 54 CO 0.03 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 1aet n GLY 55 N 1.44 -1.13 0.00 -3.77 0.00 0.86 -3.04 105.19 99.55 1aet n GLY 55 Ca -0.11 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 45.92 1aet n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aet n THR 56 N -1.22 0.01 -2.12 2.61 -2.24 -1.25 -4.66 114.28 105.41 1aet n THR 56 Ca 0.15 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.53 1aet n THR 56 Cb 0.19 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.88 1aet n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1aet s TRP 57 N -2.24 3.08 -0.21 4.78 -0.00 -1.17 -4.03 118.94 119.14 1aet s TRP 57 Ca 0.39 1.36 0.02 0.00 -0.00 0.00 0.00 56.10 57.86 1aet s TRP 57 Cb 0.21 -3.68 0.04 0.00 -0.00 0.00 0.00 33.47 30.03 1aet s TRP 57 CO 0.40 -1.92 -0.16 0.34 -0.00 0.00 0.00 176.95 175.61 1aet s ASP 58 N -0.32 3.58 0.66 5.86 -1.08 -0.20 -4.55 116.67 120.62 1aet s ASP 58 Ca 0.51 -0.92 0.40 0.00 -0.52 0.00 0.00 52.55 52.02 1aet s ASP 58 Cb -0.39 -1.47 2.18 0.00 -1.46 0.00 0.00 42.92 41.77 1aet s ASP 58 CO 0.50 -0.08 2.26 0.07 0.52 0.00 0.00 175.17 178.44 1aet h LYS 59 N 7.89 0.00 0.02 4.34 2.10 -1.62 -1.55 116.57 127.74 1aet h LYS 59 Ca -0.35 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.05 1aet h LYS 59 Cb 1.10 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1aet h LYS 59 CO 0.56 0.00 -1.01 0.45 -2.00 0.00 0.00 179.45 177.45 1aet h HIS 60 N 0.00 0.73 0.00 0.07 3.86 -1.95 -3.36 115.15 114.50 1aet h HIS 60 Ca 0.01 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 1aet h HIS 60 Cb 0.16 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1aet h HIS 60 CO 0.00 1.24 -0.02 -0.40 0.86 0.00 0.00 177.93 179.62 1aet n ASP 61 N -3.76 1.59 -2.05 2.45 5.75 -1.21 -5.03 116.55 114.28 1aet n ASP 61 Ca -0.08 -1.92 -0.13 0.00 -0.01 0.00 0.00 54.79 52.64 1aet n ASP 61 Cb 0.87 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.89 1aet n ASP 61 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1aet n ASN 62 N -0.49 -3.91 -4.91 -1.12 5.15 -0.59 -3.90 115.26 105.49 1aet n ASN 62 Ca 0.02 0.23 -0.27 0.00 -0.60 0.00 0.00 54.58 53.95 1aet n ASN 62 Cb 0.35 -3.42 -0.00 0.00 -0.53 0.00 0.00 39.78 36.18 1aet n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1aet s THR 63 N -2.47 4.91 0.00 -0.44 -4.23 -1.24 -4.83 115.64 107.34 1aet s THR 63 Ca 0.00 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1aet s THR 63 Cb 0.00 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1aet s THR 63 CO 0.00 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 1aet n GLY 64 N -2.16 -0.76 0.00 3.99 0.00 -1.26 -1.03 105.19 103.97 1aet n GLY 64 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1aet n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aet n GLY 65 N 0.00 -1.45 0.14 -0.02 0.00 -1.26 -4.63 105.19 97.97 1aet n GLY 65 Ca 0.00 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.58 1aet n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aet h SER 66 N 0.00 0.00 -0.30 1.61 4.64 -1.77 -3.38 113.55 114.34 1aet h SER 66 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1aet h SER 66 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1aet h SER 66 CO 0.00 0.00 -0.22 0.22 -0.87 0.00 0.00 176.83 175.96 1aet h TYR 67 N 0.00 -0.56 -0.00 4.77 3.20 -1.87 -3.07 116.97 119.43 1aet h TYR 67 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1aet h TYR 67 Cb 0.41 0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1aet h TYR 67 CO 0.00 -0.29 -0.15 0.41 -1.64 0.00 0.00 178.16 176.49 1aet n GLY 68 N -1.37 -0.83 2.90 1.82 0.00 -1.25 -2.68 105.19 103.77 1aet n GLY 68 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 1aet n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aet n GLY 69 N 1.30 -0.50 0.00 -0.02 0.00 -1.16 -2.07 105.19 102.74 1aet n GLY 69 Ca 0.14 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1aet n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aet n THR 70 N -3.85 0.61 0.29 2.61 -2.24 -1.26 -2.91 114.28 107.52 1aet n THR 70 Ca -0.10 0.15 0.20 0.00 -2.27 0.00 0.00 64.05 62.03 1aet n THR 70 Cb 0.59 -0.82 1.05 0.00 -2.10 0.00 0.00 70.33 69.05 1aet n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1aet h TYR 71 N 0.00 0.00 0.00 4.78 3.20 -1.94 -0.45 116.97 122.56 1aet h TYR 71 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1aet h TYR 71 Cb 0.29 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1aet h TYR 71 CO 0.00 0.00 -0.09 0.07 -1.64 0.00 0.00 178.16 176.50 1aet h ARG 72 N 0.00 0.00 -6.65 1.82 0.11 -1.93 -3.28 114.38 104.45 1aet h ARG 72 Ca 0.00 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.57 1aet h ARG 72 Cb 0.03 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.08 1aet h ARG 72 CO 0.00 0.09 0.16 -0.06 0.10 0.00 0.00 179.97 180.26 1aet s PHE 73 N -4.19 3.64 0.23 4.08 0.08 -0.18 -4.92 117.98 116.73 1aet s PHE 73 Ca -0.03 1.47 -0.06 0.00 0.12 0.00 0.00 56.93 58.43 1aet s PHE 73 Cb 0.13 -2.68 0.40 0.00 -0.57 0.00 0.00 43.02 40.30 1aet s PHE 73 CO 0.57 0.30 1.73 0.87 -0.10 0.00 0.00 175.22 178.58 1aet h LYS 74 N 3.31 0.39 -0.22 0.44 6.56 -1.86 0.64 116.57 125.84 1aet h LYS 74 Ca -0.48 -0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.14 1aet h LYS 74 Cb 1.19 -0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.71 1aet h LYS 74 CO 0.65 0.26 -0.10 -0.22 -2.06 0.00 0.00 179.45 177.97 1aet h LYS 75 N 0.40 -0.07 -0.23 3.15 3.64 -1.94 -0.65 116.57 120.87 1aet h LYS 75 Ca 0.38 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.63 1aet h LYS 75 Cb 0.56 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1aet h LYS 75 CO -0.39 -0.05 -0.40 1.49 -2.27 0.00 0.00 179.45 177.82 1aet h GLU 76 N -0.08 0.68 -0.91 1.90 4.81 -1.65 -2.96 114.58 116.38 1aet h GLU 76 Ca 0.12 -0.42 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 1aet h GLU 76 Cb 0.25 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 1aet h GLU 76 CO -0.27 1.04 0.57 0.35 -0.73 0.00 0.00 179.01 179.98 1aet h PHE 77 N 0.39 1.06 -0.28 0.92 3.57 -0.82 -2.68 116.94 119.10 1aet h PHE 77 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1aet h PHE 77 Cb 1.00 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1aet h PHE 77 CO 0.08 0.54 0.00 0.09 -2.23 0.00 0.00 178.31 176.79 1aet n ASN 78 N -4.58 2.03 -4.68 0.41 5.03 -0.26 -4.84 115.26 108.37 1aet n ASN 78 Ca 0.14 -1.85 -0.52 0.00 0.87 0.00 0.00 54.58 53.22 1aet n ASN 78 Cb 0.19 -0.18 -0.06 0.00 -1.02 0.00 0.00 39.78 38.71 1aet n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1aet n ASP 79 N 0.58 2.76 -0.32 6.41 -0.08 -1.01 -4.89 116.55 119.99 1aet n ASP 79 Ca 0.15 1.05 0.21 0.00 -1.51 0.00 0.00 54.79 54.69 1aet n ASP 79 Cb 0.36 -1.27 0.42 0.00 2.34 0.00 0.00 41.12 42.97 1aet n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1aet h PRO 80 N 7.38 0.28 0.00 -0.67 0.11 -1.91 0.18 132.00 137.37 1aet h PRO 80 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1aet h PRO 80 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1aet h PRO 80 CO 0.92 0.19 0.00 0.43 -0.21 0.00 0.00 178.00 179.33 1aet n SER 81 N -5.10 0.35 -1.49 -2.05 7.64 -1.26 -1.95 113.62 109.76 1aet n SER 81 Ca 0.29 0.62 0.11 0.00 1.01 0.00 0.00 58.87 60.90 1aet n SER 81 Cb 0.89 -0.69 0.35 0.00 -1.01 0.00 0.00 64.21 63.75 1aet n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1aet n ASN 82 N -1.93 4.39 -4.69 6.43 3.02 0.61 -4.99 115.26 118.10 1aet n ASN 82 Ca 0.01 -2.22 -0.43 0.00 -0.03 0.00 0.00 54.58 51.91 1aet n ASN 82 Cb 0.11 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 1aet n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aet n ALA 83 N 1.42 2.13 0.00 5.41 0.00 -0.82 -1.86 120.51 126.78 1aet n ALA 83 Ca 0.25 0.32 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1aet n ALA 83 Cb 0.76 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1aet n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aet n GLY 84 N 4.21 2.86 0.02 0.00 0.00 -1.26 -4.82 105.19 106.20 1aet n GLY 84 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1aet n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aet n LEU 85 N 0.00 0.14 0.27 0.99 4.77 -0.78 -3.07 117.00 119.33 1aet n LEU 85 Ca 0.00 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 1aet n LEU 85 Cb 0.00 -0.49 0.79 0.00 -2.33 0.00 0.00 43.42 41.38 1aet n LEU 85 CO 0.00 -0.19 1.10 1.56 -1.33 0.00 0.00 177.39 178.54 1aet h GLN 86 N 0.00 0.00 -0.47 3.23 7.50 -1.92 -0.16 115.11 123.29 1aet h GLN 86 Ca 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 1aet h GLN 86 Cb 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.91 1aet h GLN 86 CO 0.00 0.00 0.01 -0.91 -1.50 0.00 0.00 178.83 176.43 1aet h ASN 87 N 0.00 0.80 0.04 1.46 2.35 -1.95 -0.15 115.58 118.13 1aet h ASN 87 Ca 0.01 -0.30 -0.15 0.00 -0.55 0.00 0.00 56.30 55.30 1aet h ASN 87 Cb 0.03 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1aet h ASN 87 CO -0.00 0.91 -0.52 1.23 -1.65 0.00 0.00 177.43 177.40 1aet h GLY 88 N 0.67 0.58 0.99 2.83 0.00 -1.26 -2.41 103.07 104.48 1aet h GLY 88 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1aet h GLY 88 CO 0.02 0.59 0.09 -2.75 0.00 0.00 0.00 176.54 174.49 1aet h PHE 89 N 0.41 0.17 -0.16 5.60 3.57 -1.24 -2.22 116.94 123.07 1aet h PHE 89 Ca 0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1aet h PHE 89 Cb 1.05 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1aet h PHE 89 CO 0.04 0.11 -0.04 0.87 -2.23 0.00 0.00 178.31 177.06 1aet h LYS 90 N 0.18 0.24 -0.43 1.11 1.57 -0.98 -2.08 116.57 116.19 1aet h LYS 90 Ca 0.05 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1aet h LYS 90 Cb -0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1aet h LYS 90 CO -0.02 0.29 0.06 0.35 -0.57 0.00 0.00 179.45 179.57 1aet h PHE 91 N 0.23 0.77 0.00 -1.35 3.04 -1.14 -3.23 116.94 115.27 1aet h PHE 91 Ca 0.05 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1aet h PHE 91 Cb 0.22 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.52 1aet h PHE 91 CO 0.00 0.74 -0.20 -0.07 -2.02 0.00 0.00 178.31 176.77 1aet h LEU 92 N 0.58 0.00 -0.61 0.59 3.38 -1.15 -3.39 115.31 114.71 1aet h LEU 92 Ca 0.13 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1aet h LEU 92 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1aet h LEU 92 CO 0.01 0.01 0.27 -0.08 0.09 0.00 0.00 178.44 178.74 1aet h GLU 93 N 0.00 0.48 -0.38 1.13 4.81 -1.40 -0.21 114.58 119.02 1aet h GLU 93 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1aet h GLU 93 Cb 0.95 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1aet h GLU 93 CO 0.00 0.32 0.23 -1.00 -0.73 0.00 0.00 179.01 177.83 1aet h PRO 94 N 0.50 0.50 -0.33 0.92 0.13 -1.77 -2.16 132.00 129.79 1aet h PRO 94 Ca 0.29 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.24 1aet h PRO 94 Cb 0.30 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1aet h PRO 94 CO -0.25 0.35 -0.38 0.82 -0.23 0.00 0.00 178.00 178.31 1aet h ILE 95 N 0.51 1.28 -0.43 -3.56 2.04 -1.40 -1.70 117.51 114.25 1aet h ILE 95 Ca 0.14 -1.55 -0.12 0.00 1.00 0.00 0.00 64.86 64.33 1aet h ILE 95 Cb -0.03 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1aet h ILE 95 CO -0.03 0.51 -0.19 -0.74 0.00 0.00 0.00 178.15 177.70 1aet h HIS 96 N 0.65 0.97 -0.57 1.37 2.76 -0.74 -0.97 115.15 118.61 1aet h HIS 96 Ca 0.06 -0.22 0.03 0.00 -2.20 0.00 0.00 60.37 58.04 1aet h HIS 96 Cb 0.94 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 1aet h HIS 96 CO 0.05 0.97 0.38 0.87 -1.30 0.00 0.00 177.93 178.90 1aet h LYS 97 N 0.75 0.68 -0.14 5.26 1.79 -1.22 -2.49 116.57 121.20 1aet h LYS 97 Ca 0.11 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.38 1aet h LYS 97 Cb 0.72 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1aet h LYS 97 CO 0.06 0.45 -0.57 1.49 -1.08 0.00 0.00 179.45 179.79 1aet h GLU 98 N 0.70 0.43 -2.31 3.15 4.81 -0.89 -3.36 114.58 117.11 1aet h GLU 98 Ca 0.23 -0.28 -0.60 0.00 -0.13 0.00 0.00 59.36 58.58 1aet h GLU 98 Cb 0.04 0.04 -0.42 0.00 0.63 0.00 0.00 28.75 29.04 1aet h GLU 98 CO -0.06 0.88 -0.65 1.19 -0.73 0.00 0.00 179.01 179.65 1aet n PHE 99 N -3.93 3.08 0.31 0.92 3.72 -0.41 -4.97 117.46 116.19 1aet n PHE 99 Ca -0.03 -4.10 0.17 0.00 -0.05 0.00 0.00 57.45 53.44 1aet n PHE 99 Cb 0.61 -0.53 0.74 0.00 -0.94 0.00 0.00 39.48 39.36 1aet n PHE 99 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1aet h PRO 100 N 4.36 0.00 0.00 -1.08 0.11 -1.62 -2.73 132.00 131.04 1aet h PRO 100 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1aet h PRO 100 Cb 0.70 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1aet h PRO 100 CO 0.77 0.00 -0.05 0.11 -0.21 0.00 0.00 178.00 178.62 1aet h TRP 101 N 0.00 0.00 -3.70 0.65 5.08 -1.93 -3.46 115.95 112.59 1aet h TRP 101 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1aet h TRP 101 Cb 0.35 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.51 1aet h TRP 101 CO 0.00 0.05 0.42 -1.50 -1.28 0.00 0.00 178.44 176.14 1aet s ILE 102 N -3.55 3.89 0.79 0.12 2.07 -1.03 -4.95 121.20 118.54 1aet s ILE 102 Ca 0.02 1.79 -0.11 0.00 -1.41 0.00 0.00 60.65 60.94 1aet s ILE 102 Cb 0.08 -4.14 0.07 0.00 0.13 0.00 0.00 42.46 38.60 1aet s ILE 102 CO 0.59 0.38 1.09 -0.94 -1.91 0.00 0.00 174.94 174.15 1aet s SER 103 N -0.69 4.43 0.09 4.50 1.04 -1.26 -4.87 113.70 116.94 1aet s SER 103 Ca 0.45 1.64 -0.20 0.00 0.48 0.00 0.00 55.95 58.32 1aet s SER 103 Cb -0.28 -2.37 -0.09 0.00 0.10 0.00 0.00 66.02 63.37 1aet s SER 103 CO 0.35 -2.06 1.66 0.28 0.98 0.00 0.00 173.24 174.45 1aet h SER 104 N -1.14 0.23 -0.83 7.02 0.02 -1.91 -1.35 113.55 115.58 1aet h SER 104 Ca -0.45 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.39 1aet h SER 104 Cb 1.24 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 1aet h SER 104 CO 0.54 0.29 0.54 1.23 -1.14 0.00 0.00 176.83 178.29 1aet h GLY 105 N 0.15 1.19 0.92 -3.77 0.00 -1.80 0.93 103.07 100.70 1aet h GLY 105 Ca 0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1aet h GLY 105 CO -0.01 0.37 0.13 -0.55 0.00 0.00 0.00 176.54 176.48 1aet h ASP 106 N 1.06 0.41 -0.17 0.19 3.32 -1.81 -1.68 116.42 117.74 1aet h ASP 106 Ca 0.32 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1aet h ASP 106 Cb -0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1aet h ASP 106 CO -0.10 0.45 0.07 0.25 -1.72 0.00 0.00 179.24 178.19 1aet h LEU 107 N 0.34 0.22 -0.45 1.55 5.85 -0.80 -0.12 115.31 121.91 1aet h LEU 107 Ca 0.10 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1aet h LEU 107 Cb 0.16 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1aet h LEU 107 CO -0.01 0.31 0.21 -0.26 -0.34 0.00 0.00 178.44 178.35 1aet h PHE 108 N 0.13 0.39 -0.26 1.25 0.04 -0.88 -0.75 116.94 116.86 1aet h PHE 108 Ca 0.06 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.68 1aet h PHE 108 Cb 0.15 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1aet h PHE 108 CO -0.02 0.19 -0.49 0.66 -0.60 0.00 0.00 178.31 178.05 1aet h SER 109 N 0.43 0.78 0.09 2.17 4.64 -1.25 -3.10 113.55 117.31 1aet h SER 109 Ca 0.20 -0.39 -0.09 0.00 -0.47 0.00 0.00 61.79 61.04 1aet h SER 109 Cb 0.12 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1aet h SER 109 CO -0.15 1.14 -0.28 0.25 -0.87 0.00 0.00 176.83 176.92 1aet h LEU 110 N 0.56 0.30 -0.69 5.97 5.85 -0.83 -2.60 115.31 123.87 1aet h LEU 110 Ca 0.03 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.76 1aet h LEU 110 Cb 1.05 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1aet h LEU 110 CO 0.10 0.58 0.28 1.23 -0.34 0.00 0.00 178.44 180.30 1aet h GLY 111 N 1.03 1.01 0.89 3.75 0.00 -1.06 0.64 103.07 109.33 1aet h GLY 111 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1aet h GLY 111 CO 0.05 -0.04 0.07 -1.33 0.00 0.00 0.00 176.54 175.29 1aet h GLY 112 N 0.46 0.27 0.77 4.60 0.00 -1.49 -0.89 103.07 106.79 1aet h GLY 112 Ca 0.36 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.58 1aet h GLY 112 CO -0.34 0.13 0.22 -2.08 0.00 0.00 0.00 176.54 174.47 1aet h VAL 113 N 0.13 0.97 -0.45 4.60 2.07 -1.09 -2.05 116.25 120.43 1aet h VAL 113 Ca 0.06 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1aet h VAL 113 Cb 0.15 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1aet h VAL 113 CO -0.01 0.08 0.23 0.74 0.02 0.00 0.00 177.57 178.64 1aet h THR 114 N 0.45 1.17 -0.47 2.57 2.02 -0.80 -2.49 112.91 115.36 1aet h THR 114 Ca 0.19 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1aet h THR 114 Cb 0.10 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1aet h THR 114 CO -0.14 0.19 0.27 0.00 0.37 0.00 0.00 175.52 176.21 1aet h ALA 115 N 1.08 0.60 -0.39 6.16 0.00 -0.93 -0.31 119.26 125.46 1aet h ALA 115 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1aet h ALA 115 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1aet h ALA 115 CO -0.02 -0.04 0.11 0.28 0.00 0.00 0.00 179.25 179.58 1aet h VAL 116 N 0.55 1.22 -0.55 0.00 2.07 -1.28 -0.81 116.25 117.45 1aet h VAL 116 Ca 0.19 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1aet h VAL 116 Cb 0.03 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1aet h VAL 116 CO -0.09 0.26 -0.07 1.56 0.02 0.00 0.00 177.57 179.25 1aet h GLN 117 N 0.49 1.00 0.00 1.57 4.20 -1.32 0.17 115.11 121.22 1aet h GLN 117 Ca 0.13 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 1aet h GLN 117 Cb 0.28 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1aet h GLN 117 CO -0.00 1.02 -0.11 0.93 -0.67 0.00 0.00 178.83 179.99 1aet h GLU 118 N 0.90 0.00 -0.94 1.46 4.39 -0.85 -2.87 114.58 116.66 1aet h GLU 118 Ca 0.15 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.71 1aet h GLU 118 Cb 0.62 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 1aet h GLU 118 CO 0.04 0.11 0.18 -1.33 -1.16 0.00 0.00 179.01 176.85 1aet n MET 119 N -3.23 1.86 -2.17 2.33 2.81 -0.33 -4.87 117.12 113.52 1aet n MET 119 Ca 0.01 -1.23 -0.20 0.00 -1.81 0.00 0.00 57.70 54.47 1aet n MET 119 Cb 0.40 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 31.30 1aet n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1aet n GLN 120 N -0.03 -1.51 -0.98 0.03 1.13 -1.08 -0.71 117.38 114.24 1aet n GLN 120 Ca 0.20 1.01 -0.15 0.00 -1.94 0.00 0.00 57.00 56.12 1aet n GLN 120 Cb 0.86 -5.53 0.10 0.00 0.11 0.00 0.00 30.24 25.79 1aet n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aet n GLY 121 N -0.91 -1.25 3.76 1.08 0.00 0.57 -4.71 105.19 103.72 1aet n GLY 121 Ca -0.22 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 1aet n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aet s PRO 122 N -4.44 2.01 0.06 1.61 0.04 -1.26 -4.69 135.00 128.33 1aet s PRO 122 Ca 0.38 1.05 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 1aet s PRO 122 Cb -0.01 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1aet s PRO 122 CO 0.26 -1.78 1.52 0.15 0.04 0.00 0.00 177.00 177.19 1aet s LYS 123 N -4.93 4.25 -0.38 4.56 -0.14 -1.26 -4.40 119.74 117.44 1aet s LYS 123 Ca 0.62 2.17 -0.13 0.00 -1.36 0.00 0.00 55.97 57.27 1aet s LYS 123 Cb -0.17 -3.50 0.01 0.00 -1.68 0.00 0.00 37.83 32.50 1aet s LYS 123 CO 0.56 -0.63 0.25 0.42 -0.76 0.00 0.00 175.35 175.20 1aet s ILE 124 N 2.19 5.02 0.25 2.17 -1.09 -1.26 -4.89 121.20 123.59 1aet s ILE 124 Ca 0.69 -0.62 -0.31 0.00 -2.23 0.00 0.00 60.65 58.18 1aet s ILE 124 Cb -0.37 -3.74 -0.13 0.00 -1.58 0.00 0.00 42.46 36.64 1aet s ILE 124 CO 0.30 -0.21 1.48 -2.65 -1.23 0.00 0.00 174.94 172.64 1aet n PRO 125 N 5.09 2.27 -4.86 2.79 -0.02 -1.26 -4.79 135.00 134.22 1aet n PRO 125 Ca -0.12 0.81 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 1aet n PRO 125 Cb 0.47 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 1aet n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1aet s TRP 126 N 0.03 1.63 -0.07 6.00 -0.00 -0.56 -4.79 118.94 121.17 1aet s TRP 126 Ca 0.67 -0.34 0.02 0.00 -0.00 0.00 0.00 56.10 56.45 1aet s TRP 126 Cb -0.60 -1.06 -0.03 0.00 -0.00 0.00 0.00 33.47 31.79 1aet s TRP 126 CO 0.48 -0.05 -0.10 1.03 -0.00 0.00 0.00 176.95 178.31 1aet s ARG 127 N -0.34 2.76 0.67 5.86 0.52 -1.26 0.05 118.95 127.20 1aet s ARG 127 Ca 0.05 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.62 1aet s ARG 127 Cb -0.08 -2.53 0.07 0.00 0.52 0.00 0.00 34.95 32.94 1aet s ARG 127 CO -0.00 0.59 0.94 0.00 0.02 0.00 0.00 175.30 176.85 1aet n GLY 129 N -2.74 0.89 3.76 0.00 0.00 -1.26 -4.73 105.19 101.10 1aet n GLY 129 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1aet n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aet s ARG 130 N 0.00 3.38 -0.08 1.61 0.52 -1.26 -0.51 118.95 122.61 1aet s ARG 130 Ca 0.00 2.18 0.03 0.00 -0.52 0.00 0.00 55.73 57.42 1aet s ARG 130 Cb 0.00 -2.37 0.00 0.00 0.52 0.00 0.00 34.95 33.10 1aet s ARG 130 CO 0.00 -0.98 -0.19 0.08 0.02 0.00 0.00 175.30 174.23 1aet s VAL 131 N -1.33 1.63 0.25 3.52 1.01 -1.09 -4.69 120.40 119.70 1aet s VAL 131 Ca 0.68 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 1aet s VAL 131 Cb -0.39 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.45 1aet s VAL 131 CO 0.47 0.46 1.58 -1.81 0.00 0.00 0.00 175.10 175.81 1aet s ASP 132 N 0.44 6.46 0.24 3.32 1.11 -1.26 -3.94 116.67 123.04 1aet s ASP 132 Ca -0.16 2.83 0.11 0.00 0.18 0.00 0.00 52.55 55.51 1aet s ASP 132 Cb -0.17 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.16 1aet s ASP 132 CO 0.06 -0.87 -0.14 0.42 1.18 0.00 0.00 175.17 175.83 1aet s THR 133 N 0.37 2.85 0.85 -1.27 -4.23 -0.88 -5.01 115.64 108.32 1aet s THR 133 Ca 0.66 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.96 1aet s THR 133 Cb -0.46 -2.47 0.08 0.00 1.34 0.00 0.00 72.50 70.99 1aet s THR 133 CO 0.42 -0.29 0.98 -2.65 -0.54 0.00 0.00 174.62 172.54 1aet n PRO 134 N -0.42 -0.03 0.17 3.99 -0.02 -1.26 -4.84 135.00 132.58 1aet n PRO 134 Ca -0.08 0.06 0.19 0.00 -2.02 0.00 0.00 63.50 61.65 1aet n PRO 134 Cb 0.58 -2.26 0.79 0.00 -0.02 0.00 0.00 33.50 32.59 1aet n PRO 134 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1aet h GLU 135 N -1.19 0.00 -0.02 -0.52 4.81 -1.98 0.11 114.58 115.79 1aet h GLU 135 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1aet h GLU 135 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1aet h GLU 135 CO 0.42 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.30 1aet n ASP 136 N -3.57 0.41 -0.45 1.04 5.75 -1.26 -2.53 116.55 115.94 1aet n ASP 136 Ca 0.04 -1.26 0.12 0.00 -0.01 0.00 0.00 54.79 53.68 1aet n ASP 136 Cb 0.50 -0.01 0.22 0.00 -1.03 0.00 0.00 41.12 40.80 1aet n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1aet n THR 137 N -0.62 0.00 -1.68 2.12 -2.24 0.03 -4.96 114.28 106.93 1aet n THR 137 Ca 0.20 -0.24 -0.44 0.00 -2.27 0.00 0.00 64.05 61.30 1aet n THR 137 Cb 0.16 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.22 1aet n THR 137 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1aet n THR 138 N -0.08 0.49 -1.86 4.28 -1.04 -1.05 -4.71 114.28 110.31 1aet n THR 138 Ca 0.12 -0.09 -0.38 0.00 -2.04 0.00 0.00 64.05 61.66 1aet n THR 138 Cb 0.42 -2.05 0.04 0.00 -1.82 0.00 0.00 70.33 66.92 1aet n THR 138 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1aet s PRO 139 N 3.34 3.14 0.66 -2.82 0.04 -1.26 -5.01 135.00 133.10 1aet s PRO 139 Ca 0.86 2.12 -0.16 0.00 0.04 0.00 0.00 61.00 63.87 1aet s PRO 139 Cb -0.54 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1aet s PRO 139 CO 0.42 -1.15 1.15 -0.51 0.04 0.00 0.00 177.00 176.95 1aet s ASP 140 N -1.11 4.92 0.76 6.66 1.01 -1.26 -4.68 116.67 122.97 1aet s ASP 140 Ca 0.72 2.15 -0.14 0.00 0.71 0.00 0.00 52.55 55.99 1aet s ASP 140 Cb -0.38 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.04 1aet s ASP 140 CO 0.44 -1.76 1.20 0.20 0.21 0.00 0.00 175.17 175.46 1aet s ASN 141 N -2.26 3.96 0.00 0.27 0.01 -1.26 -4.21 114.94 111.44 1aet s ASN 141 Ca 0.70 2.35 0.00 0.00 -0.71 0.00 0.00 52.86 55.20 1aet s ASN 141 Cb -0.24 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.83 1aet s ASN 141 CO 0.40 -2.42 0.00 0.61 -1.51 0.00 0.00 177.10 174.18 1aet n GLY 142 N 0.39 0.93 0.08 0.66 0.00 -1.26 -4.98 105.19 101.00 1aet n GLY 142 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1aet n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aet n ARG 143 N -1.93 0.27 -3.31 1.61 1.74 -1.26 -4.95 116.66 108.82 1aet n ARG 143 Ca 0.00 -0.16 -0.29 0.00 -0.77 0.00 0.00 57.85 56.63 1aet n ARG 143 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1aet n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aet s LEU 144 N -2.85 4.05 0.31 0.55 1.43 -1.26 -4.74 118.68 116.18 1aet s LEU 144 Ca 0.15 0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 53.76 1aet s LEU 144 Cb 0.18 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.74 1aet s LEU 144 CO 0.65 -0.20 0.89 -2.16 0.23 0.00 0.00 176.35 175.77 1aet s PRO 145 N -3.52 4.47 0.54 1.29 0.04 -1.26 -5.05 135.00 131.51 1aet s PRO 145 Ca 0.44 1.20 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 1aet s PRO 145 Cb -0.11 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 1aet s PRO 145 CO 0.29 0.28 1.06 -0.51 0.04 0.00 0.00 177.00 178.16 1aet s ASP 146 N -1.68 6.01 0.03 6.66 1.01 -1.26 -5.00 116.67 122.44 1aet s ASP 146 Ca 0.50 1.91 0.23 0.00 0.71 0.00 0.00 52.55 55.90 1aet s ASP 146 Cb -0.17 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.27 1aet s ASP 146 CO 0.22 -1.01 1.05 0.00 0.21 0.00 0.00 175.17 175.65 1aet n ALA 147 N -1.47 3.71 -0.57 5.23 0.00 -1.26 -4.49 120.51 121.66 1aet n ALA 147 Ca 0.09 -0.44 -0.16 0.00 0.00 0.00 0.00 53.44 52.93 1aet n ALA 147 Cb 0.52 -0.95 0.07 0.00 0.00 0.00 0.00 19.45 19.10 1aet n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aet n ASP 148 N -1.78 4.94 -3.88 0.00 5.75 -1.26 -2.29 116.55 118.02 1aet n ASP 148 Ca 0.03 -3.01 -0.25 0.00 -0.01 0.00 0.00 54.79 51.54 1aet n ASP 148 Cb 0.40 -0.86 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 1aet n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aet n LYS 149 N -0.13 0.68 -1.59 0.11 4.76 -1.26 -4.94 118.16 115.79 1aet n LYS 149 Ca 0.34 -3.24 -0.03 0.00 -2.87 0.00 0.00 58.31 52.51 1aet n LYS 149 Cb 0.88 1.52 0.00 0.00 -1.84 0.00 0.00 35.03 35.59 1aet n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1aet n ASP 150 N -1.49 0.84 0.23 4.39 5.75 -1.26 -3.17 116.55 121.85 1aet n ASP 150 Ca -0.09 -1.23 0.10 0.00 -0.01 0.00 0.00 54.79 53.55 1aet n ASP 150 Cb 0.57 -0.03 0.57 0.00 -1.03 0.00 0.00 41.12 41.20 1aet n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aet h ALA 151 N 0.62 1.20 -0.23 2.12 0.00 -1.90 -2.49 119.26 118.57 1aet h ALA 151 Ca -0.04 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1aet h ALA 151 Cb 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1aet h ALA 151 CO 0.06 0.26 -0.36 0.78 0.00 0.00 0.00 179.25 179.99 1aet h GLY 152 N 1.32 0.72 0.85 0.00 0.00 -1.97 -2.32 103.07 101.68 1aet h GLY 152 Ca -0.00 -0.81 0.02 0.00 0.00 0.00 0.00 47.33 46.54 1aet h GLY 152 CO 0.03 0.73 0.23 -1.82 0.00 0.00 0.00 176.54 175.70 1aet h TYR 153 N 0.37 0.42 -0.93 5.60 5.03 -1.92 -1.74 116.97 123.80 1aet h TYR 153 Ca 0.02 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.38 1aet h TYR 153 Cb 0.95 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 39.05 1aet h TYR 153 CO 0.08 0.23 0.60 0.28 -1.32 0.00 0.00 178.16 178.04 1aet h VAL 154 N 0.46 1.15 -0.44 1.81 2.07 -1.33 0.14 116.25 120.12 1aet h VAL 154 Ca 0.17 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1aet h VAL 154 Cb 0.04 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.68 1aet h VAL 154 CO -0.10 0.21 -0.03 -0.09 0.02 0.00 0.00 177.57 177.59 1aet h ARG 155 N 1.17 0.79 -0.27 1.57 2.43 -1.28 -1.55 114.38 117.23 1aet h ARG 155 Ca 0.37 -0.26 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 1aet h ARG 155 Cb 0.01 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1aet h ARG 155 CO -0.12 0.87 -0.36 1.15 -1.51 0.00 0.00 179.97 179.99 1aet h THR 156 N 0.62 1.30 0.27 0.20 2.02 -1.08 -2.77 112.91 113.47 1aet h THR 156 Ca 0.12 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 1aet h THR 156 Cb 0.53 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1aet h THR 156 CO 0.03 0.50 -0.17 0.15 0.37 0.00 0.00 175.52 176.40 1aet h PHE 157 N 0.47 -0.43 0.00 3.16 3.57 -0.69 -2.99 116.94 120.01 1aet h PHE 157 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1aet h PHE 157 Cb 0.95 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1aet h PHE 157 CO 0.08 -0.26 0.00 1.19 -2.23 0.00 0.00 178.31 177.08 1aet n PHE 158 N -5.29 0.40 0.20 0.41 3.72 -0.59 -1.65 117.46 114.66 1aet n PHE 158 Ca -0.09 0.15 0.05 0.00 -0.05 0.00 0.00 57.45 57.52 1aet n PHE 158 Cb 0.20 -0.75 0.43 0.00 -0.94 0.00 0.00 39.48 38.42 1aet n PHE 158 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1aet h GLN 159 N 0.00 0.00 0.00 -1.08 -0.00 -1.33 -1.31 115.11 111.39 1aet h GLN 159 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1aet h GLN 159 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.82 1aet h GLN 159 CO 0.00 0.32 -0.01 -0.09 0.00 0.00 0.00 178.83 179.06 1aet h ARG 160 N 0.00 0.00 -0.20 1.69 2.43 -1.39 -2.37 114.38 114.54 1aet h ARG 160 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1aet h ARG 160 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1aet h ARG 160 CO 0.04 0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.79 1aet n LEU 161 N -3.14 3.18 -2.07 3.80 4.77 -0.98 -1.63 117.00 120.94 1aet n LEU 161 Ca -0.02 -2.72 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 1aet n LEU 161 Cb 0.15 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1aet n LEU 161 CO 0.23 0.68 0.00 -0.46 -1.33 0.00 0.00 177.39 176.50 1aet n ASN 162 N -0.49 0.00 -4.71 -1.43 6.94 -0.89 -4.99 115.26 109.69 1aet n ASN 162 Ca 0.16 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.37 1aet n ASN 162 Cb 0.68 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.02 1aet n ASN 162 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1aet s MET 163 N -1.94 4.10 0.23 -3.83 -1.94 -0.53 -5.01 119.30 110.37 1aet s MET 163 Ca 0.00 -0.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.73 1aet s MET 163 Cb 0.00 -3.36 0.05 0.00 2.01 0.00 0.00 34.83 33.53 1aet s MET 163 CO 0.00 0.31 0.31 0.27 -0.01 0.00 0.00 175.02 175.90 1aet n ASN 164 N 3.46 0.43 -0.08 3.03 0.23 -1.26 -4.24 115.26 116.84 1aet n ASN 164 Ca -0.16 -1.36 -0.08 0.00 -0.53 0.00 0.00 54.58 52.45 1aet n ASN 164 Cb 0.52 -0.20 -0.01 0.00 -2.08 0.00 0.00 39.78 38.01 1aet n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1aet h ASP 165 N -0.18 0.15 -0.58 0.53 3.32 -1.99 -1.43 116.42 116.24 1aet h ASP 165 Ca -0.10 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1aet h ASP 165 Cb 0.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1aet h ASP 165 CO 0.11 0.12 0.13 -0.09 -1.72 0.00 0.00 179.24 177.79 1aet h ARG 166 N 0.25 0.94 -0.86 3.56 2.43 -1.96 -1.95 114.38 116.80 1aet h ARG 166 Ca 0.12 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1aet h ARG 166 Cb 0.08 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1aet h ARG 166 CO -0.11 0.88 0.50 0.93 -1.51 0.00 0.00 179.97 180.66 1aet h GLU 167 N 0.85 1.18 -0.44 0.20 5.08 -1.86 -0.62 114.58 118.97 1aet h GLU 167 Ca 0.18 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1aet h GLU 167 Cb 0.37 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1aet h GLU 167 CO 0.01 0.84 0.16 0.28 -1.00 0.00 0.00 179.01 179.29 1aet h VAL 168 N 1.19 1.21 -0.18 3.13 2.07 -1.00 -1.06 116.25 121.60 1aet h VAL 168 Ca 0.31 -0.67 -0.15 0.00 0.82 0.00 0.00 66.70 67.01 1aet h VAL 168 Cb -0.02 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1aet h VAL 168 CO -0.05 0.24 -0.46 0.58 0.02 0.00 0.00 177.57 177.90 1aet h VAL 169 N 0.56 1.33 0.00 2.57 2.07 -1.13 -2.27 116.25 119.38 1aet h VAL 169 Ca 0.14 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 65.98 1aet h VAL 169 Cb 0.22 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1aet h VAL 169 CO -0.01 0.53 -0.11 0.00 0.02 0.00 0.00 177.57 177.99 1aet h ALA 170 N 0.57 -0.13 -0.95 1.67 0.00 -1.11 -3.09 119.26 116.22 1aet h ALA 170 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1aet h ALA 170 Cb 1.07 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1aet h ALA 170 CO 0.10 -0.61 0.60 -0.07 0.00 0.00 0.00 179.25 179.27 1aet h LEU 171 N -0.20 0.91 -2.28 0.00 4.07 -1.15 -2.10 115.31 114.57 1aet h LEU 171 Ca 0.04 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 1aet h LEU 171 Cb 0.25 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 1aet h LEU 171 CO -0.11 0.54 -0.03 -0.03 -1.08 0.00 0.00 178.44 177.73 1aet h MET 172 N 1.02 0.00 0.00 1.13 4.05 -1.37 -2.75 114.93 117.02 1aet h MET 172 Ca 0.44 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.86 1aet h MET 172 Cb 0.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1aet h MET 172 CO -0.22 0.03 0.00 0.78 0.23 0.00 0.00 176.91 177.73 1aet h GLY 173 N 0.78 0.00 2.00 1.39 0.00 -1.30 -1.12 103.07 104.82 1aet h GLY 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aet h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1aet n ALA 174 N -1.90 1.37 1.31 3.60 0.00 -1.04 -2.73 120.51 121.14 1aet n ALA 174 Ca -0.01 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1aet n ALA 174 Cb 0.08 -1.31 0.64 0.00 0.00 0.00 0.00 19.45 18.86 1aet n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1aet n HIS 175 N -2.10 0.00 0.35 0.00 8.25 -0.43 -1.45 115.22 119.84 1aet n HIS 175 Ca 0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.61 1aet n HIS 175 Cb 0.13 -0.08 0.58 0.00 1.12 0.00 0.00 29.99 31.74 1aet n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aet h ALA 176 N 3.31 1.00 -2.64 -1.41 0.00 -1.75 -3.39 119.26 114.38 1aet h ALA 176 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1aet h ALA 176 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1aet h ALA 176 CO 0.00 0.00 -0.08 -0.51 0.00 0.00 0.00 179.25 178.66 1aet s LEU 177 N -5.22 4.43 0.00 0.00 1.43 -0.53 -4.19 118.68 114.59 1aet s LEU 177 Ca 0.03 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1aet s LEU 177 Cb 0.09 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.26 1aet s LEU 177 CO 0.46 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.84 1aet n GLY 178 N 1.26 2.41 3.67 -3.19 0.00 0.41 -4.91 105.19 104.84 1aet n GLY 178 Ca -0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 1aet n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aet s LYS 179 N 0.00 1.41 0.26 1.61 -2.85 -1.26 -4.43 119.74 114.48 1aet s LYS 179 Ca 0.00 -0.69 -0.16 0.00 -1.00 0.00 0.00 55.97 54.12 1aet s LYS 179 Cb 0.00 0.54 -0.08 0.00 -2.06 0.00 0.00 37.83 36.23 1aet s LYS 179 CO 0.00 -0.64 0.69 0.95 0.10 0.00 0.00 175.35 176.45 1aet s THR 180 N -3.66 4.69 -0.09 3.79 -4.23 -0.14 -4.96 115.64 111.05 1aet s THR 180 Ca 0.08 0.99 0.02 0.00 -1.18 0.00 0.00 61.69 61.60 1aet s THR 180 Cb -0.03 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 70.12 1aet s THR 180 CO -0.02 0.01 -0.14 -1.00 -0.54 0.00 0.00 174.62 172.93 1aet s HIS 181 N -1.75 1.74 0.19 3.99 0.09 -1.03 -2.13 115.29 116.39 1aet s HIS 181 Ca 0.48 -0.74 -0.11 0.00 -0.00 0.00 0.00 55.06 54.68 1aet s HIS 181 Cb -0.13 -1.27 0.17 0.00 -0.00 0.00 0.00 32.58 31.35 1aet s HIS 181 CO 0.19 -0.39 1.80 1.25 -0.00 0.00 0.00 174.74 177.60 1aet h LEU 182 N 7.23 0.48 -1.35 0.89 5.85 -1.60 -1.80 115.31 125.00 1aet h LEU 182 Ca -0.30 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1aet h LEU 182 Cb 1.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1aet h LEU 182 CO 0.47 0.32 0.00 0.50 -0.34 0.00 0.00 178.44 179.39 1aet h LYS 183 N 0.61 0.00 0.00 1.25 3.64 -1.97 -0.35 116.57 119.74 1aet h LYS 183 Ca 0.25 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.49 1aet h LYS 183 Cb 0.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1aet h LYS 183 CO -0.15 0.00 -0.76 -0.91 -2.27 0.00 0.00 179.45 175.36 1aet h ASN 184 N 0.00 0.00 -0.00 4.20 2.35 -1.68 -3.44 115.58 117.02 1aet h ASN 184 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 1aet h ASN 184 Cb 0.53 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1aet h ASN 184 CO 0.00 1.30 -0.01 -1.54 -1.65 0.00 0.00 177.43 175.53 1aet n SER 185 N -4.50 0.54 -0.10 5.81 3.41 -0.83 -4.76 113.62 113.20 1aet n SER 185 Ca -0.23 -0.77 -0.01 0.00 -0.26 0.00 0.00 58.87 57.59 1aet n SER 185 Cb 0.60 0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 65.03 1aet n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aet n GLY 186 N 0.49 0.51 3.19 5.00 0.00 -0.14 -5.04 105.19 109.20 1aet n GLY 186 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 1aet n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aet s TYR 187 N -2.01 1.25 -0.02 1.61 2.02 -1.26 -4.60 117.35 114.35 1aet s TYR 187 Ca 0.00 -0.49 -0.00 0.00 -0.37 0.00 0.00 57.07 56.21 1aet s TYR 187 Cb 0.00 -0.69 0.02 0.00 -0.40 0.00 0.00 41.96 40.89 1aet s TYR 187 CO 0.00 0.07 0.02 -2.00 -1.57 0.00 0.00 175.55 172.08 1aet s GLU 188 N -2.00 -0.03 0.00 -0.62 2.56 -1.26 -1.39 118.70 115.96 1aet s GLU 188 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.97 55.13 1aet s GLU 188 Cb -0.08 -0.20 0.00 0.00 2.00 0.00 0.00 34.13 35.85 1aet s GLU 188 CO 0.02 -0.13 0.00 0.41 -0.56 0.00 0.00 175.26 175.00 1aet n GLY 189 N 3.95 3.41 3.93 -1.50 0.00 -0.91 -4.86 105.19 109.22 1aet n GLY 189 Ca -0.25 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.62 1aet n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aet s PRO 190 N -2.97 3.16 0.00 1.61 0.04 -1.26 -0.96 135.00 134.61 1aet s PRO 190 Ca 0.00 -0.19 0.26 0.00 0.04 0.00 0.00 61.00 61.11 1aet s PRO 190 Cb 0.00 -2.45 0.66 0.00 0.04 0.00 0.00 34.50 32.75 1aet s PRO 190 CO 0.00 -0.35 1.50 0.41 0.04 0.00 0.00 177.00 178.61 1aet n GLY 191 N -2.24 -0.81 0.96 0.56 0.00 -1.26 -0.74 105.19 101.67 1aet n GLY 191 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.65 1aet n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aet n GLY 192 N 1.39 0.43 0.12 -0.02 0.00 -1.26 -4.77 105.19 101.09 1aet n GLY 192 Ca 0.10 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 1aet n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aet h ALA 193 N 2.00 0.13 -1.20 4.61 0.00 -1.95 -3.41 119.26 119.44 1aet h ALA 193 Ca -0.05 -1.03 -0.77 0.00 0.00 0.00 0.00 54.91 53.06 1aet h ALA 193 Cb 0.28 0.42 -0.20 0.00 0.00 0.00 0.00 17.79 18.30 1aet h ALA 193 CO 0.07 0.75 1.63 0.00 0.00 0.00 0.00 179.25 181.71 1aet n ALA 194 N -2.93 5.55 0.62 0.00 0.00 -1.26 -4.82 120.51 117.67 1aet n ALA 194 Ca -0.23 -4.46 0.03 0.00 0.00 0.00 0.00 53.44 48.78 1aet n ALA 194 Cb 0.89 -2.71 0.14 0.00 0.00 0.00 0.00 19.45 17.76 1aet n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1aet n ASN 195 N 2.55 2.25 -1.43 0.00 2.04 -1.26 -3.32 115.26 116.10 1aet n ASN 195 Ca 0.39 -2.21 0.04 0.00 -0.44 0.00 0.00 54.58 52.36 1aet n ASN 195 Cb 0.33 -0.42 0.03 0.00 -2.53 0.00 0.00 39.78 37.19 1aet n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1aet n ASN 196 N 0.25 1.04 -3.98 0.53 6.94 -1.26 -0.45 115.26 118.33 1aet n ASN 196 Ca 0.10 -2.13 -0.17 0.00 -0.02 0.00 0.00 54.58 52.35 1aet n ASN 196 Cb 0.46 -0.31 -0.15 0.00 -2.36 0.00 0.00 39.78 37.42 1aet n ASN 196 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1aet s VAL 197 N -0.22 0.56 -0.33 3.53 1.01 -1.21 -4.81 120.40 118.93 1aet s VAL 197 Ca 0.34 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 1aet s VAL 197 Cb 0.38 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 36.28 1aet s VAL 197 CO -0.16 0.17 0.71 0.12 0.00 0.00 0.00 175.10 175.94 1aet s PHE 198 N -0.06 3.17 0.26 5.22 5.36 0.12 -4.84 117.98 127.21 1aet s PHE 198 Ca 0.01 0.58 0.02 0.00 -0.96 0.00 0.00 56.93 56.58 1aet s PHE 198 Cb -0.04 -3.20 -0.01 0.00 -0.34 0.00 0.00 43.02 39.44 1aet s PHE 198 CO -0.00 -0.61 0.30 0.25 -1.46 0.00 0.00 175.22 173.70 1aet n THR 199 N 5.59 0.00 0.15 0.12 -2.24 -1.26 -4.60 114.28 112.03 1aet n THR 199 Ca 0.01 -1.60 -0.04 0.00 -2.27 0.00 0.00 64.05 60.16 1aet n THR 199 Cb 0.48 0.88 0.12 0.00 -2.10 0.00 0.00 70.33 69.71 1aet n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1aet n ASN 200 N -1.87 3.14 -0.22 3.42 6.94 -1.26 -4.58 115.26 120.83 1aet n ASN 200 Ca 0.03 -2.53 0.00 0.00 -0.02 0.00 0.00 54.58 52.07 1aet n ASN 200 Cb 0.45 -0.61 0.24 0.00 -2.36 0.00 0.00 39.78 37.50 1aet n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1aet h GLU 201 N 1.00 1.00 -0.92 -3.83 4.81 -1.95 -2.61 114.58 112.08 1aet h GLU 201 Ca 0.14 -0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.44 1aet h GLU 201 Cb 1.46 -0.22 -0.09 0.00 0.63 0.00 0.00 28.75 30.52 1aet h GLU 201 CO 0.34 0.66 0.53 0.35 -0.73 0.00 0.00 179.01 180.16 1aet h PHE 202 N 1.03 0.95 -0.16 0.92 3.57 -1.84 -0.44 116.94 120.97 1aet h PHE 202 Ca 0.28 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 1aet h PHE 202 Cb -0.11 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.35 1aet h PHE 202 CO 0.00 0.29 -0.34 1.88 -2.23 0.00 0.00 178.31 177.91 1aet h TYR 203 N 0.78 0.64 -0.55 0.41 0.05 -1.82 -2.03 116.97 114.46 1aet h TYR 203 Ca 0.49 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 1aet h TYR 203 Cb 0.62 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1aet h TYR 203 CO -0.04 0.97 0.30 -0.07 -1.05 0.00 0.00 178.16 178.26 1aet h LEU 204 N 0.14 0.69 -0.19 3.88 3.38 -1.41 -1.49 115.31 120.30 1aet h LEU 204 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1aet h LEU 204 Cb 0.95 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1aet h LEU 204 CO 0.08 0.58 0.10 0.78 0.09 0.00 0.00 178.44 180.07 1aet h ASN 205 N 0.74 0.25 -0.81 -0.43 4.21 -1.08 0.14 115.58 118.59 1aet h ASN 205 Ca 0.19 -0.10 0.03 0.00 1.21 0.00 0.00 56.30 57.63 1aet h ASN 205 Cb 0.05 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.14 1aet h ASN 205 CO -0.03 0.27 0.54 0.25 -1.29 0.00 0.00 177.43 177.17 1aet h LEU 206 N 0.20 0.88 0.00 1.61 5.85 -1.29 -0.41 115.31 122.15 1aet h LEU 206 Ca 0.07 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1aet h LEU 206 Cb 0.09 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1aet h LEU 206 CO -0.01 0.61 -0.81 -0.07 -0.34 0.00 0.00 178.44 177.82 1aet h LEU 207 N 1.03 0.00 0.00 2.25 3.38 -0.85 -3.40 115.31 117.71 1aet h LEU 207 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1aet h LEU 207 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1aet h LEU 207 CO -0.09 0.67 -0.53 0.59 0.09 0.00 0.00 178.44 179.17 1aet n ASN 208 N -3.21 0.74 -4.86 -0.43 5.03 0.47 -5.01 115.26 107.99 1aet n ASN 208 Ca -0.01 -0.61 -0.32 0.00 0.87 0.00 0.00 54.58 54.52 1aet n ASN 208 Cb 0.82 1.05 -0.05 0.00 -1.02 0.00 0.00 39.78 40.58 1aet n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1aet s GLU 209 N -1.90 3.90 -0.88 3.52 0.41 -0.19 -5.01 118.70 118.56 1aet s GLU 209 Ca 0.02 0.57 -0.20 0.00 -0.41 0.00 0.00 54.97 54.96 1aet s GLU 209 Cb 0.06 -2.42 0.11 0.00 -1.78 0.00 0.00 34.13 30.11 1aet s GLU 209 CO 0.35 0.08 1.10 0.34 -0.49 0.00 0.00 175.26 176.64 1aet s ASP 210 N -2.64 6.53 0.10 -0.19 2.15 -1.26 -4.98 116.67 116.38 1aet s ASP 210 Ca 0.53 -1.81 -0.30 0.00 0.43 0.00 0.00 52.55 51.40 1aet s ASP 210 Cb -0.10 -2.41 -0.05 0.00 -0.30 0.00 0.00 42.92 40.05 1aet s ASP 210 CO 0.23 -1.16 0.97 0.26 -0.17 0.00 0.00 175.17 175.30 1aet s TRP 211 N 3.06 3.79 -0.08 -5.34 0.52 -1.26 -3.99 118.94 115.63 1aet s TRP 211 Ca 0.31 1.79 0.04 0.00 0.02 0.00 0.00 56.10 58.26 1aet s TRP 211 Cb -0.07 -3.07 -0.00 0.00 -1.15 0.00 0.00 33.47 29.18 1aet s TRP 211 CO -0.06 0.17 -0.22 0.21 0.02 0.00 0.00 176.95 177.07 1aet s LYS 212 N 0.14 2.73 -0.13 4.98 2.20 0.71 -4.90 119.74 125.47 1aet s LYS 212 Ca 0.48 -0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 54.97 1aet s LYS 212 Cb -0.23 -2.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.94 1aet s LYS 212 CO 0.30 0.20 1.25 -1.17 -0.36 0.00 0.00 175.35 175.57 1aet s LEU 213 N 0.26 4.21 0.07 5.43 2.96 -1.26 -0.38 118.68 129.98 1aet s LEU 213 Ca -0.15 1.74 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 1aet s LEU 213 Cb -0.17 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1aet s LEU 213 CO 0.07 -0.71 -0.06 -1.61 -1.32 0.00 0.00 176.35 172.72 1aet s GLU 214 N 3.11 0.67 0.07 1.98 2.02 -0.00 -4.98 118.70 121.57 1aet s GLU 214 Ca 0.55 -1.09 -0.20 0.00 0.02 0.00 0.00 54.97 54.26 1aet s GLU 214 Cb -0.23 -0.13 -0.07 0.00 0.10 0.00 0.00 34.13 33.80 1aet s GLU 214 CO 0.17 -0.02 0.58 0.15 0.02 0.00 0.00 175.26 176.16 1aet s LYS 215 N -3.01 4.21 0.39 1.61 1.02 -1.26 -1.10 119.74 121.61 1aet s LYS 215 Ca 0.03 0.75 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1aet s LYS 215 Cb 0.00 -3.24 0.08 0.00 -0.52 0.00 0.00 37.83 34.15 1aet s LYS 215 CO -0.04 0.63 0.54 0.27 -0.92 0.00 0.00 175.35 175.83 1aet n ASN 216 N 1.75 0.86 0.06 2.83 0.23 0.12 -4.94 115.26 116.17 1aet n ASN 216 Ca -0.10 -1.70 0.07 0.00 -0.53 0.00 0.00 54.58 52.32 1aet n ASN 216 Cb 0.51 -0.34 0.32 0.00 -2.08 0.00 0.00 39.78 38.19 1aet n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1aet n ASP 217 N -2.88 0.26 -0.93 0.53 8.00 -1.26 -1.84 116.55 118.43 1aet n ASP 217 Ca 0.09 0.59 0.10 0.00 0.71 0.00 0.00 54.79 56.28 1aet n ASP 217 Cb 0.34 -0.63 0.26 0.00 -0.02 0.00 0.00 41.12 41.06 1aet n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aet n ALA 218 N -1.62 2.44 -1.32 2.24 0.00 -1.26 -4.93 120.51 116.05 1aet n ALA 218 Ca 0.01 -0.86 -0.09 0.00 0.00 0.00 0.00 53.44 52.50 1aet n ALA 218 Cb 0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1aet n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1aet n ASN 219 N 1.00 -4.03 -4.79 0.00 5.03 -0.77 -5.05 115.26 106.64 1aet n ASN 219 Ca 0.18 0.21 -0.32 0.00 0.87 0.00 0.00 54.58 55.52 1aet n ASN 219 Cb 0.45 -2.40 -0.07 0.00 -1.02 0.00 0.00 39.78 36.75 1aet n ASN 219 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1aet s ASN 220 N -2.88 5.67 0.16 6.41 0.02 -1.26 -4.84 114.94 118.22 1aet s ASN 220 Ca 0.00 0.09 -0.22 0.00 -1.02 0.00 0.00 52.86 51.71 1aet s ASN 220 Cb 0.00 -1.59 -0.08 0.00 0.02 0.00 0.00 41.25 39.60 1aet s ASN 220 CO 0.00 0.22 0.70 -1.61 0.02 0.00 0.00 177.10 176.43 1aet s GLU 221 N -2.08 4.35 0.09 -0.60 2.02 -1.26 -0.70 118.70 120.52 1aet s GLU 221 Ca 0.27 0.93 -0.10 0.00 0.02 0.00 0.00 54.97 56.09 1aet s GLU 221 Cb -0.12 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1aet s GLU 221 CO 0.19 0.53 0.23 1.14 0.02 0.00 0.00 175.26 177.36 1aet s GLN 222 N -1.44 0.88 -0.27 1.61 -2.07 -0.25 -4.58 119.66 113.54 1aet s GLN 222 Ca 0.36 -0.90 -0.18 0.00 -1.82 0.00 0.00 55.36 52.82 1aet s GLN 222 Cb -0.20 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.06 1aet s GLN 222 CO 0.22 -0.29 0.53 -1.58 -1.32 0.00 0.00 175.29 172.85 1aet s TRP 223 N -3.81 3.26 -0.00 9.60 0.52 -0.55 -0.82 118.94 127.14 1aet s TRP 223 Ca 0.04 0.61 0.04 0.00 0.02 0.00 0.00 56.10 56.81 1aet s TRP 223 Cb 0.04 -2.76 -0.03 0.00 -1.15 0.00 0.00 33.47 29.57 1aet s TRP 223 CO -0.11 -0.32 -0.09 -0.51 0.02 0.00 0.00 176.95 175.94 1aet s ASP 224 N 1.56 4.43 0.25 2.95 1.01 0.49 -0.59 116.67 126.78 1aet s ASP 224 Ca 0.21 -0.19 0.10 0.00 0.71 0.00 0.00 52.55 53.39 1aet s ASP 224 Cb -0.16 -0.98 -0.04 0.00 1.01 0.00 0.00 42.92 42.75 1aet s ASP 224 CO 0.10 0.29 -0.07 -0.94 0.21 0.00 0.00 175.17 174.76 1aet s SER 225 N -1.29 4.24 0.39 0.27 1.04 -0.11 -0.21 113.70 118.02 1aet s SER 225 Ca 0.16 -0.74 0.18 0.00 0.48 0.00 0.00 55.95 56.03 1aet s SER 225 Cb -0.11 -0.68 1.09 0.00 0.10 0.00 0.00 66.02 66.42 1aet s SER 225 CO 0.06 0.03 1.75 0.11 0.98 0.00 0.00 173.24 176.17 1aet h LYS 226 N 2.16 0.39 0.00 4.02 6.56 -1.90 0.66 116.57 128.46 1aet h LYS 226 Ca -0.44 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1aet h LYS 226 Cb 1.24 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1aet h LYS 226 CO 0.59 0.26 0.00 0.43 -2.06 0.00 0.00 179.45 178.67 1aet n SER 227 N -4.68 0.29 0.00 0.86 7.64 -1.26 -4.86 113.62 111.61 1aet n SER 227 Ca 0.27 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1aet n SER 227 Cb 0.90 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1aet n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aet n GLY 228 N -0.75 0.75 3.96 0.23 0.00 0.22 -5.08 105.19 104.52 1aet n GLY 228 Ca 0.01 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1aet n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aet s TYR 229 N -2.00 3.47 0.11 1.61 2.02 -1.25 -4.57 117.35 116.74 1aet s TYR 229 Ca 0.00 0.11 0.04 0.00 -0.37 0.00 0.00 57.07 56.85 1aet s TYR 229 Cb 0.00 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 1aet s TYR 229 CO 0.00 0.36 -0.10 0.00 -1.57 0.00 0.00 175.55 174.24 1aet s MET 230 N -3.96 0.92 -0.02 -0.62 0.23 0.08 -0.94 119.30 114.99 1aet s MET 230 Ca 0.36 -1.28 0.02 0.00 -1.03 0.00 0.00 55.69 53.76 1aet s MET 230 Cb -0.09 -0.54 0.00 0.00 -1.53 0.00 0.00 34.83 32.66 1aet s MET 230 CO 0.31 0.07 -0.08 -1.64 -2.03 0.00 0.00 175.02 171.65 1aet s MET 231 N -3.22 0.82 0.65 3.16 -1.94 0.25 -4.20 119.30 114.81 1aet s MET 231 Ca 0.10 -0.27 -0.15 0.00 -1.71 0.00 0.00 55.69 53.66 1aet s MET 231 Cb -0.00 -0.78 -0.01 0.00 2.01 0.00 0.00 34.83 36.05 1aet s MET 231 CO -0.00 0.12 1.09 -0.51 -0.01 0.00 0.00 175.02 175.71 1aet s LEU 232 N 0.12 3.38 0.25 -0.03 1.43 -1.26 -1.48 118.68 121.09 1aet s LEU 232 Ca -0.02 1.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.98 1aet s LEU 232 Cb -0.07 -4.54 0.49 0.00 0.03 0.00 0.00 46.19 42.10 1aet s LEU 232 CO 0.00 -1.53 1.72 -0.65 0.23 0.00 0.00 176.35 176.13 1aet h PRO 233 N 0.03 0.42 -0.27 1.29 0.11 -1.80 -0.41 132.00 131.37 1aet h PRO 233 Ca -0.46 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1aet h PRO 233 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1aet h PRO 233 CO 0.55 0.28 -0.07 1.79 -0.21 0.00 0.00 178.00 180.34 1aet h THR 234 N 0.43 1.20 -0.04 -1.15 1.35 -1.41 -1.27 112.91 112.02 1aet h THR 234 Ca 0.43 -0.83 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1aet h THR 234 Cb 0.68 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1aet h THR 234 CO -0.42 0.27 -0.01 0.44 -0.25 0.00 0.00 175.52 175.55 1aet h ASP 235 N 0.41 0.07 -0.15 5.36 3.32 -1.51 -3.20 116.42 120.73 1aet h ASP 235 Ca 0.08 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1aet h ASP 235 Cb 0.38 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1aet h ASP 235 CO 0.02 0.42 0.10 0.22 -1.72 0.00 0.00 179.24 178.28 1aet h TYR 236 N -0.27 0.17 -1.04 4.55 3.20 -0.92 -2.33 116.97 120.33 1aet h TYR 236 Ca 0.01 0.00 0.42 0.00 3.14 0.00 0.00 58.73 62.30 1aet h TYR 236 Cb 0.39 -0.06 -0.17 0.00 1.54 0.00 0.00 36.73 38.43 1aet h TYR 236 CO 0.05 0.11 0.58 0.77 -1.64 0.00 0.00 178.16 178.03 1aet h SER 237 N 0.19 0.32 0.21 -2.11 0.02 -1.22 -0.94 113.55 110.01 1aet h SER 237 Ca 0.06 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1aet h SER 237 Cb -0.00 0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1aet h SER 237 CO -0.01 -0.40 0.00 -0.07 -1.14 0.00 0.00 176.83 175.21 1aet h LEU 238 N 0.02 0.00 -0.64 5.07 3.38 -1.55 -0.24 115.31 121.36 1aet h LEU 238 Ca 0.85 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.82 1aet h LEU 238 Cb 2.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.03 1aet h LEU 238 CO -0.73 0.00 -0.64 2.30 0.09 0.00 0.00 178.44 179.46 1aet n ILE 239 N -3.05 0.00 0.06 1.22 -5.35 -0.36 -2.61 119.36 109.27 1aet n ILE 239 Ca -0.02 -0.18 0.01 0.00 -0.27 0.00 0.00 62.75 62.29 1aet n ILE 239 Cb 0.12 1.16 -0.06 0.00 -1.74 0.00 0.00 39.64 39.12 1aet n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1aet h GLN 240 N 1.53 0.00 -5.71 6.28 4.20 -1.09 -3.46 115.11 116.87 1aet h GLN 240 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 1aet h GLN 240 Cb 0.65 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.35 1aet h GLN 240 CO 0.00 0.29 -0.17 0.34 -0.67 0.00 0.00 178.83 178.62 1aet s ASP 241 N -5.85 6.65 0.26 1.46 -1.08 -0.68 -4.98 116.67 112.45 1aet s ASP 241 Ca -0.02 0.77 -0.01 0.00 -0.52 0.00 0.00 52.55 52.77 1aet s ASP 241 Cb 0.09 -2.27 0.35 0.00 -1.46 0.00 0.00 42.92 39.63 1aet s ASP 241 CO 0.80 0.03 1.73 1.55 0.52 0.00 0.00 175.17 179.81 1aet h PRO 242 N 6.62 0.69 -0.23 4.34 0.13 -1.91 -0.67 132.00 140.97 1aet h PRO 242 Ca -0.41 -0.22 -0.08 0.00 -0.87 0.00 0.00 66.00 64.42 1aet h PRO 242 Cb 1.18 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1aet h PRO 242 CO 0.75 0.78 -0.15 0.87 -0.23 0.00 0.00 178.00 180.01 1aet h LYS 243 N 0.63 0.50 -0.31 0.86 1.57 -1.95 -3.04 116.57 114.83 1aet h LYS 243 Ca 0.11 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1aet h LYS 243 Cb 0.55 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1aet h LYS 243 CO 0.03 0.80 -0.06 1.88 -0.57 0.00 0.00 179.45 181.54 1aet h TYR 244 N 0.20 0.51 -0.56 -1.35 0.05 -1.75 -3.14 116.97 110.94 1aet h TYR 244 Ca 0.04 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.67 1aet h TYR 244 Cb 0.67 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 1aet h TYR 244 CO 0.07 0.55 -0.02 1.25 -1.05 0.00 0.00 178.16 178.96 1aet h LEU 245 N 0.46 0.96 -1.33 3.88 5.85 -0.87 -1.24 115.31 123.03 1aet h LEU 245 Ca 0.09 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1aet h LEU 245 Cb 0.39 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1aet h LEU 245 CO 0.02 1.03 -0.14 0.77 -0.34 0.00 0.00 178.44 179.78 1aet h SER 246 N 0.90 0.27 -0.12 1.25 4.64 -1.48 -1.75 113.55 117.27 1aet h SER 246 Ca 0.16 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.28 1aet h SER 246 Cb 0.55 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1aet h SER 246 CO 0.03 0.44 -0.47 0.40 -0.87 0.00 0.00 176.83 176.36 1aet h ILE 247 N 0.27 1.36 -0.65 0.95 2.04 -1.47 -2.59 117.51 117.43 1aet h ILE 247 Ca 0.05 -1.78 0.12 0.00 1.00 0.00 0.00 64.86 64.26 1aet h ILE 247 Cb 0.41 2.15 -0.09 0.00 -0.74 0.00 0.00 36.82 38.55 1aet h ILE 247 CO 0.02 0.54 0.17 0.58 0.00 0.00 0.00 178.15 179.46 1aet h VAL 248 N 0.13 0.63 -0.66 1.67 2.07 -1.06 -1.54 116.25 117.48 1aet h VAL 248 Ca -0.03 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1aet h VAL 248 Cb 1.10 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1aet h VAL 248 CO 0.10 0.05 0.39 0.11 0.02 0.00 0.00 177.57 178.24 1aet h LYS 249 N 0.30 0.90 -0.40 1.57 1.57 -1.26 -1.02 116.57 118.22 1aet h LYS 249 Ca 0.35 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1aet h LYS 249 Cb 0.53 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1aet h LYS 249 CO -0.42 0.64 0.07 1.49 -0.57 0.00 0.00 179.45 180.66 1aet h GLU 250 N 0.91 0.67 -0.00 3.15 4.81 -0.96 -1.88 114.58 121.27 1aet h GLU 250 Ca 0.24 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 1aet h GLU 250 Cb -0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1aet h GLU 250 CO -0.04 0.71 -0.75 1.88 -0.73 0.00 0.00 179.01 180.07 1aet h TYR 251 N 0.52 0.05 -0.31 0.92 0.05 -1.01 -1.38 116.97 115.80 1aet h TYR 251 Ca 0.12 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 1aet h TYR 251 Cb 0.36 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 1aet h TYR 251 CO 0.02 0.77 -0.12 0.00 -1.05 0.00 0.00 178.16 177.78 1aet h ALA 252 N 1.23 1.22 -0.00 3.88 0.00 -1.13 -2.95 119.26 121.50 1aet h ALA 252 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1aet h ALA 252 Cb 1.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1aet h ALA 252 CO 0.10 0.51 -0.28 0.09 0.00 0.00 0.00 179.25 179.66 1aet n ASN 253 N -4.20 0.40 -3.30 0.00 3.02 -0.71 -4.74 115.26 105.72 1aet n ASN 253 Ca 0.01 -0.14 -0.10 0.00 -0.03 0.00 0.00 54.58 54.31 1aet n ASN 253 Cb 0.33 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.43 1aet n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1aet s ASP 254 N -2.88 0.26 0.32 6.41 -1.08 -0.54 -5.00 116.67 114.15 1aet s ASP 254 Ca 0.16 -1.00 0.01 0.00 -0.52 0.00 0.00 52.55 51.19 1aet s ASP 254 Cb 0.18 1.08 0.53 0.00 -1.46 0.00 0.00 42.92 43.25 1aet s ASP 254 CO 0.60 -0.27 1.91 -0.61 0.52 0.00 0.00 175.17 177.32 1aet h GLN 255 N 7.40 0.77 -0.50 4.34 4.15 -1.85 -1.85 115.11 127.57 1aet h GLN 255 Ca 0.01 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 1aet h GLN 255 Cb 1.11 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.64 1aet h GLN 255 CO 0.20 0.64 -0.04 -0.44 -1.93 0.00 0.00 178.83 177.25 1aet h ASP 256 N 0.77 0.85 -0.33 -0.69 3.32 -1.94 0.30 116.42 118.70 1aet h ASP 256 Ca 0.18 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1aet h ASP 256 Cb 0.15 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1aet h ASP 256 CO -0.02 0.94 0.17 0.50 -1.72 0.00 0.00 179.24 179.11 1aet h LYS 257 N 0.80 0.47 -0.36 3.56 1.63 -1.91 -2.05 116.57 118.72 1aet h LYS 257 Ca 0.15 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 59.95 1aet h LYS 257 Cb 0.53 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.02 1aet h LYS 257 CO 0.03 0.42 -0.01 0.35 -3.45 0.00 0.00 179.45 176.79 1aet h PHE 258 N 0.40 -0.03 -0.90 1.91 3.57 -0.86 -1.12 116.94 119.91 1aet h PHE 258 Ca 0.11 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1aet h PHE 258 Cb 0.10 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 1aet h PHE 258 CO -0.02 -0.08 0.59 0.74 -2.23 0.00 0.00 178.31 177.31 1aet h PHE 259 N 0.09 1.11 -0.30 0.41 -1.00 -0.81 0.47 116.94 116.90 1aet h PHE 259 Ca 0.18 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.93 1aet h PHE 259 Cb 0.25 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 1aet h PHE 259 CO -0.26 0.67 -0.00 -0.22 -1.61 0.00 0.00 178.31 176.88 1aet h LYS 260 N 1.17 0.54 -0.27 1.51 3.64 -1.16 -1.62 116.57 120.37 1aet h LYS 260 Ca 0.34 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.39 1aet h LYS 260 Cb -0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1aet h LYS 260 CO -0.10 0.68 -0.47 -0.44 -2.27 0.00 0.00 179.45 176.85 1aet h ASP 261 N 0.33 0.79 -0.64 4.20 5.19 -1.05 -2.77 116.42 122.47 1aet h ASP 261 Ca 0.08 -0.39 -0.03 0.00 -0.62 0.00 0.00 57.03 56.08 1aet h ASP 261 Cb 0.44 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 1aet h ASP 261 CO 0.02 1.13 0.30 0.15 -3.12 0.00 0.00 179.24 177.72 1aet h PHE 262 N 0.58 0.93 -0.09 4.55 3.57 -0.90 -1.16 116.94 124.41 1aet h PHE 262 Ca 0.03 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1aet h PHE 262 Cb 1.04 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1aet h PHE 262 CO 0.05 0.70 -0.07 1.03 -2.23 0.00 0.00 178.31 177.80 1aet h SER 263 N 0.88 -0.21 -0.50 0.41 0.87 -1.21 0.68 113.55 114.47 1aet h SER 263 Ca 0.22 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1aet h SER 263 Cb 0.13 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1aet h SER 263 CO -0.03 -0.09 0.22 0.11 -0.53 0.00 0.00 176.83 176.51 1aet h LYS 264 N -0.08 0.73 -0.14 2.24 1.57 -1.43 -2.72 116.57 116.75 1aet h LYS 264 Ca 0.06 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1aet h LYS 264 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1aet h LYS 264 CO -0.13 0.63 -0.48 0.00 -0.57 0.00 0.00 179.45 178.90 1aet h ALA 265 N 1.06 0.94 -0.14 3.86 0.00 -0.94 -2.27 119.26 121.77 1aet h ALA 265 Ca 0.17 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1aet h ALA 265 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1aet h ALA 265 CO -0.02 0.65 -0.28 0.35 0.00 0.00 0.00 179.25 179.95 1aet h PHE 266 N 0.28 0.55 -0.52 0.00 3.57 -0.85 -1.33 116.94 118.65 1aet h PHE 266 Ca 0.02 -0.20 0.06 0.00 3.53 0.00 0.00 57.97 61.37 1aet h PHE 266 Cb 0.94 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1aet h PHE 266 CO 0.02 0.90 0.23 1.49 -2.23 0.00 0.00 178.31 178.73 1aet h GLU 267 N 0.05 0.43 -0.37 1.11 4.81 -1.51 -1.25 114.58 117.85 1aet h GLU 267 Ca 0.01 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1aet h GLU 267 Cb 0.87 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1aet h GLU 267 CO 0.06 0.29 0.13 -0.22 -0.73 0.00 0.00 179.01 178.54 1aet h LYS 268 N 0.45 0.28 -0.53 1.92 3.64 -1.35 -0.66 116.57 120.32 1aet h LYS 268 Ca 0.24 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1aet h LYS 268 Cb 0.20 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 1aet h LYS 268 CO -0.20 0.19 0.16 1.25 -2.27 0.00 0.00 179.45 178.57 1aet h LEU 269 N 0.29 0.11 -0.81 5.20 5.85 -0.98 -0.83 115.31 124.14 1aet h LEU 269 Ca 0.17 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1aet h LEU 269 Cb 0.14 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1aet h LEU 269 CO -0.17 0.08 0.00 -0.07 -0.34 0.00 0.00 178.44 177.95 1aet h LEU 270 N 0.32 0.00 -0.99 2.25 3.38 -0.71 -3.25 115.31 116.30 1aet h LEU 270 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1aet h LEU 270 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1aet h LEU 270 CO -0.30 0.00 -0.28 -0.62 0.09 0.00 0.00 178.44 177.33 1aet n GLU 271 N -2.72 1.64 -1.65 1.13 1.02 -0.30 -4.73 120.64 115.03 1aet n GLU 271 Ca 0.02 -0.89 -0.46 0.00 -0.02 0.00 0.00 57.16 55.80 1aet n GLU 271 Cb 0.33 -1.27 -0.04 0.00 -0.02 0.00 0.00 31.44 30.45 1aet n GLU 271 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1aet n ASP 272 N 0.02 2.59 0.00 1.62 8.00 -0.36 -2.10 116.55 126.32 1aet n ASP 272 Ca 0.07 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.69 1aet n ASP 272 Cb 0.34 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 1aet n ASP 272 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aet n GLY 273 N 2.61 1.07 3.42 0.44 0.00 -1.26 -4.54 105.19 106.93 1aet n GLY 273 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1aet n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aet s ILE 274 N -3.12 3.54 -0.24 -0.61 1.01 -0.89 -4.26 121.20 116.63 1aet s ILE 274 Ca 0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 1aet s ILE 274 Cb 0.00 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1aet s ILE 274 CO 0.00 0.49 0.68 -0.89 0.00 0.00 0.00 174.94 175.22 1aet s THR 275 N 0.58 4.96 -0.29 2.92 2.01 -0.34 -4.95 115.64 120.53 1aet s THR 275 Ca -0.04 1.26 -0.12 0.00 0.31 0.00 0.00 61.69 63.09 1aet s THR 275 Cb -0.15 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1aet s THR 275 CO 0.03 0.02 0.25 -0.36 -0.69 0.00 0.00 174.62 173.88 1aet s PHE 276 N 2.44 3.23 0.65 4.92 0.08 -1.26 -1.13 117.98 126.91 1aet s PHE 276 Ca 0.29 0.15 -0.16 0.00 0.12 0.00 0.00 56.93 57.33 1aet s PHE 276 Cb -0.16 -2.46 -0.00 0.00 -0.57 0.00 0.00 43.02 39.83 1aet s PHE 276 CO 0.09 -0.22 1.16 -2.14 -0.10 0.00 0.00 175.22 174.01 1aet s PRO 277 N 1.85 2.71 0.00 0.24 0.02 -1.26 -4.92 135.00 133.65 1aet s PRO 277 Ca 0.09 1.60 0.14 0.00 0.02 0.00 0.00 61.00 62.85 1aet s PRO 277 Cb -0.16 -1.92 0.78 0.00 0.02 0.00 0.00 34.50 33.22 1aet s PRO 277 CO 0.11 -1.36 1.51 1.17 -0.33 0.00 0.00 177.00 178.10 1aet n LYS 278 N -2.22 1.12 0.10 5.54 4.81 -1.26 -1.35 118.16 124.91 1aet n LYS 278 Ca 0.12 -0.18 0.13 0.00 -0.87 0.00 0.00 58.31 57.50 1aet n LYS 278 Cb 0.51 -1.24 0.44 0.00 0.02 0.00 0.00 35.03 34.76 1aet n LYS 278 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1aet n ASP 279 N -0.54 0.70 -4.71 3.14 5.68 -1.26 -4.90 116.55 114.67 1aet n ASP 279 Ca 0.11 0.59 -0.39 0.00 -0.50 0.00 0.00 54.79 54.60 1aet n ASP 279 Cb 0.09 -0.77 0.03 0.00 -1.14 0.00 0.00 41.12 39.33 1aet n ASP 279 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aet n ALA 280 N -1.75 1.25 -1.65 2.12 0.00 -0.45 -4.96 120.51 115.06 1aet n ALA 280 Ca 0.05 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 1aet n ALA 280 Cb 0.37 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 1aet n ALA 280 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1aet n PRO 281 N -0.62 1.77 -1.18 0.00 -0.04 -1.26 -4.99 135.00 128.68 1aet n PRO 281 Ca 0.10 0.62 -0.35 0.00 -0.04 0.00 0.00 63.50 63.83 1aet n PRO 281 Cb 0.43 -2.12 0.10 0.00 -0.04 0.00 0.00 33.50 31.87 1aet n PRO 281 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1aet n SER 282 N 0.94 -0.19 -4.67 3.54 7.64 -1.26 -4.93 113.62 114.70 1aet n SER 282 Ca 0.07 0.58 -0.44 0.00 1.01 0.00 0.00 58.87 60.08 1aet n SER 282 Cb 0.34 -1.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.17 1aet n SER 282 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1aet n PRO 283 N -1.92 1.95 -2.78 1.43 -0.04 -1.26 -4.95 135.00 127.43 1aet n PRO 283 Ca 0.11 0.69 -0.40 0.00 -0.04 0.00 0.00 63.50 63.86 1aet n PRO 283 Cb 0.50 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 1aet n PRO 283 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1aet s PHE 284 N -0.50 3.92 -0.39 0.54 0.08 0.11 -4.77 117.98 116.97 1aet s PHE 284 Ca 0.63 1.84 -0.08 0.00 0.12 0.00 0.00 56.93 59.44 1aet s PHE 284 Cb -0.64 -2.97 0.07 0.00 -0.57 0.00 0.00 43.02 38.91 1aet s PHE 284 CO 0.55 0.39 0.21 0.42 -0.10 0.00 0.00 175.22 176.68 1aet s ILE 285 N -0.81 4.03 0.21 0.64 -1.09 -1.26 -1.50 121.20 121.42 1aet s ILE 285 Ca 0.42 -1.36 -0.29 0.00 -2.23 0.00 0.00 60.65 57.19 1aet s ILE 285 Cb -0.25 -3.43 -0.08 0.00 -1.58 0.00 0.00 42.46 37.12 1aet s ILE 285 CO 0.30 -0.42 0.91 -0.36 -1.23 0.00 0.00 174.94 174.15 1aet s PHE 286 N 1.40 3.95 0.37 3.97 0.08 -1.26 -5.04 117.98 121.45 1aet s PHE 286 Ca 0.02 1.85 -0.26 0.00 0.12 0.00 0.00 56.93 58.66 1aet s PHE 286 Cb -0.22 -2.95 -0.09 0.00 -0.57 0.00 0.00 43.02 39.19 1aet s PHE 286 CO 0.02 0.43 1.17 0.15 -0.10 0.00 0.00 175.22 176.89 1aet s LYS 287 N -1.00 4.21 0.81 0.44 1.02 -1.26 -5.02 119.74 118.93 1aet s LYS 287 Ca 0.41 1.86 -0.11 0.00 0.02 0.00 0.00 55.97 58.15 1aet s LYS 287 Cb -0.25 -2.82 0.08 0.00 -0.52 0.00 0.00 37.83 34.32 1aet s LYS 287 CO 0.31 -0.19 1.09 0.95 -0.92 0.00 0.00 175.35 176.58 1aet s THR 288 N -1.35 3.12 0.26 2.17 -4.23 -1.26 -4.94 115.64 109.42 1aet s THR 288 Ca 0.54 0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 61.40 1aet s THR 288 Cb -0.32 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.78 1aet s THR 288 CO 0.40 -0.47 1.71 -0.07 -0.54 0.00 0.00 174.62 175.65 1aet h LEU 289 N -1.18 0.24 -0.73 4.79 3.38 -1.97 -2.14 115.31 117.70 1aet h LEU 289 Ca -0.47 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1aet h LEU 289 Cb 1.26 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1aet h LEU 289 CO 0.56 0.04 0.43 -0.08 0.09 0.00 0.00 178.44 179.48 1aet h GLU 290 N 0.39 0.99 0.00 1.13 4.81 -1.94 0.25 114.58 120.23 1aet h GLU 290 Ca 0.47 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1aet h GLU 290 Cb 0.81 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1aet h GLU 290 CO -0.48 0.71 -0.07 0.93 -0.73 0.00 0.00 179.01 179.38 1aet h GLU 291 N 1.00 0.00 0.00 1.92 5.08 -1.76 -2.70 114.58 118.12 1aet h GLU 291 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1aet h GLU 291 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1aet h GLU 291 CO -0.05 0.07 -0.78 1.04 -1.00 0.00 0.00 179.01 178.29 1aet n GLN 292 N -3.33 0.02 -1.53 2.33 6.02 -0.06 -4.96 117.38 115.86 1aet n GLN 292 Ca -0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.97 1aet n GLN 292 Cb 0.24 -1.51 -0.00 0.00 1.02 0.00 0.00 30.24 29.99 1aet n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aet n GLY 293 N 1.49 0.39 0.61 1.08 0.00 -0.37 -5.10 105.19 103.29 1aet n GLY 293 Ca 0.05 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.19 1aet n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36