#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bek s VAL 5 N 0.00 1.56 -0.30 4.08 1.01 -1.26 -4.88 120.40 120.62 1bek s VAL 5 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1bek s VAL 5 Cb 0.00 -1.30 0.09 0.00 0.00 0.00 0.00 36.38 35.17 1bek s VAL 5 CO 0.00 0.44 0.04 -1.00 0.00 0.00 0.00 175.10 174.58 1bek s HIS 6 N -0.47 2.61 -0.00 5.22 3.76 -1.26 -5.04 115.29 120.11 1bek s HIS 6 Ca 0.08 -2.19 -0.16 0.00 -0.15 0.00 0.00 55.06 52.64 1bek s HIS 6 Cb -0.08 -2.11 -0.06 0.00 1.11 0.00 0.00 32.58 31.44 1bek s HIS 6 CO -0.01 -0.88 0.45 0.08 -0.85 0.00 0.00 174.74 173.54 1bek s VAL 7 N 1.31 4.99 0.09 -0.90 1.01 -1.26 0.15 120.40 125.78 1bek s VAL 7 Ca 0.06 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 1bek s VAL 7 Cb -0.18 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1bek s VAL 7 CO -0.14 0.54 1.11 0.00 0.00 0.00 0.00 175.10 176.60 1bek s ALA 8 N -0.85 3.33 -0.21 5.51 0.00 0.22 -4.83 121.76 124.93 1bek s ALA 8 Ca 0.25 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.97 1bek s ALA 8 Cb -0.17 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.62 1bek s ALA 8 CO 0.14 -0.29 -0.04 0.45 0.00 0.00 0.00 175.76 176.02 1bek s SER 9 N 0.58 3.40 0.16 0.00 0.15 0.48 -4.69 113.70 113.79 1bek s SER 9 Ca 0.53 -0.97 -0.34 0.00 0.70 0.00 0.00 55.95 55.88 1bek s SER 9 Cb -0.27 -1.01 -0.15 0.00 -1.71 0.00 0.00 66.02 62.88 1bek s SER 9 CO 0.31 -0.23 1.34 0.52 1.20 0.00 0.00 173.24 176.37 1bek n VAL 10 N 4.79 0.51 -1.68 4.45 0.31 -1.26 -4.27 118.33 121.19 1bek n VAL 10 Ca -0.12 -0.13 -0.50 0.00 -0.01 0.00 0.00 64.34 63.59 1bek n VAL 10 Cb 0.46 -1.10 -0.05 0.00 -0.91 0.00 0.00 33.84 32.24 1bek n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bek n GLU 11 N 2.30 1.91 -1.51 5.55 4.71 -1.26 -4.70 120.64 127.65 1bek n GLU 11 Ca 0.15 0.70 -0.58 0.00 -0.01 0.00 0.00 57.16 57.43 1bek n GLU 11 Cb 0.25 -2.48 -0.09 0.00 -1.01 0.00 0.00 31.44 28.12 1bek n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1bek n LYS 12 N 5.27 0.66 -0.98 3.49 3.00 -1.26 -2.02 118.16 126.33 1bek n LYS 12 Ca 0.21 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1bek n LYS 12 Cb 0.26 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.32 1bek n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bek n GLY 13 N 5.81 0.69 3.86 3.14 0.00 -1.26 -5.03 105.19 112.40 1bek n GLY 13 Ca 0.40 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 1bek n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bek s ARG 14 N -0.14 3.91 0.20 1.61 1.81 -0.86 -5.09 118.95 120.40 1bek s ARG 14 Ca 0.00 0.49 0.02 0.00 -1.72 0.00 0.00 55.73 54.52 1bek s ARG 14 Cb 0.00 -2.54 -0.01 0.00 -0.45 0.00 0.00 34.95 31.96 1bek s ARG 14 CO 0.00 0.23 0.06 -1.13 -0.68 0.00 0.00 175.30 173.79 1bek n SER 15 N -0.24 1.21 0.03 0.23 3.41 -1.26 -4.88 113.62 112.11 1bek n SER 15 Ca 0.02 -2.02 -0.12 0.00 -0.26 0.00 0.00 58.87 56.49 1bek n SER 15 Cb 0.53 0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 64.88 1bek n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1bek h TYR 16 N 1.30 -1.01 -0.94 7.33 3.20 -1.99 0.14 116.97 125.00 1bek h TYR 16 Ca -0.15 0.04 0.25 0.00 3.14 0.00 0.00 58.73 62.01 1bek h TYR 16 Cb 0.57 0.45 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 1bek h TYR 16 CO 0.00 -0.44 0.65 0.93 -1.64 0.00 0.00 178.16 177.66 1bek h GLU 17 N -0.47 0.16 -0.42 1.82 4.39 -1.99 0.63 114.58 118.71 1bek h GLU 17 Ca 0.07 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 1bek h GLU 17 Cb 0.59 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1bek h GLU 17 CO -0.33 0.11 -0.27 -0.44 -1.16 0.00 0.00 179.01 176.92 1bek h ASP 18 N 0.17 0.92 -0.17 1.42 5.19 -1.12 -3.04 116.42 119.78 1bek h ASP 18 Ca 0.47 -0.36 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 1bek h ASP 18 Cb 1.58 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 1bek h ASP 18 CO -0.09 1.13 -0.11 -0.26 -3.12 0.00 0.00 179.24 176.79 1bek h PHE 19 N 0.76 0.44 -0.99 4.55 0.04 0.69 -3.05 116.94 119.38 1bek h PHE 19 Ca 0.09 -0.12 0.25 0.00 2.80 0.00 0.00 57.97 60.99 1bek h PHE 19 Cb 0.83 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.81 1bek h PHE 19 CO 0.05 0.71 0.66 0.37 -0.60 0.00 0.00 178.31 179.49 1bek h GLN 20 N 0.05 0.31 -0.29 1.51 5.75 -0.58 0.63 115.11 122.49 1bek h GLN 20 Ca 0.04 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 58.34 1bek h GLN 20 Cb 0.60 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 1bek h GLN 20 CO 0.03 0.21 -0.52 0.87 -2.65 0.00 0.00 178.83 176.77 1bek h LYS 21 N 0.32 0.84 -0.55 1.69 1.57 -1.44 0.17 116.57 119.17 1bek h LYS 21 Ca 0.53 -0.52 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1bek h LYS 21 Cb 1.47 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 1bek h LYS 21 CO -0.20 1.15 0.16 0.28 -0.57 0.00 0.00 179.45 180.27 1bek h VAL 22 N 0.65 1.24 0.58 0.50 2.07 -0.81 -1.38 116.25 119.11 1bek h VAL 22 Ca 0.02 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1bek h VAL 22 Cb 1.11 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1bek h VAL 22 CO 0.11 0.31 -0.48 0.22 0.02 0.00 0.00 177.57 177.76 1bek h TYR 23 N 0.78 -1.30 -0.77 1.57 5.03 -1.19 -1.71 116.97 119.38 1bek h TYR 23 Ca 0.18 0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.63 1bek h TYR 23 Cb 0.30 0.49 -0.05 0.00 1.55 0.00 0.00 36.73 39.02 1bek h TYR 23 CO 0.02 -0.67 0.51 -0.91 -1.32 0.00 0.00 178.16 175.79 1bek h ASN 24 N -1.03 0.45 -0.49 -2.11 -0.26 -0.58 -1.22 115.58 110.33 1bek h ASN 24 Ca -0.07 0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.60 1bek h ASN 24 Cb 0.87 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 1bek h ASN 24 CO -0.00 0.24 -0.04 0.00 -1.06 0.00 0.00 177.43 176.56 1bek h ALA 25 N 1.64 0.67 -0.44 -0.83 0.00 -0.65 -0.06 119.26 119.60 1bek h ALA 25 Ca 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1bek h ALA 25 Cb 0.78 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1bek h ALA 25 CO -0.13 0.51 0.20 0.82 0.00 0.00 0.00 179.25 180.65 1bek h ILE 26 N 0.75 1.19 -0.46 0.00 2.04 -0.40 -1.48 117.51 119.14 1bek h ILE 26 Ca 0.13 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1bek h ILE 26 Cb 0.57 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1bek h ILE 26 CO 0.03 0.21 0.22 0.00 0.00 0.00 0.00 178.15 178.61 1bek h ALA 27 N 1.04 0.59 -0.38 1.87 0.00 -1.17 0.12 119.26 121.34 1bek h ALA 27 Ca 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1bek h ALA 27 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1bek h ALA 27 CO -0.02 0.15 0.02 -0.07 0.00 0.00 0.00 179.25 179.34 1bek h LEU 28 N 0.60 0.55 -0.78 0.00 3.38 -0.85 -1.74 115.31 116.47 1bek h LEU 28 Ca 0.16 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1bek h LEU 28 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1bek h LEU 28 CO -0.02 0.61 -0.48 0.50 0.09 0.00 0.00 178.44 179.14 1bek h LYS 29 N 0.57 0.31 -0.67 1.13 3.64 -0.48 -1.74 116.57 119.32 1bek h LYS 29 Ca 0.12 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1bek h LYS 29 Cb 0.33 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1bek h LYS 29 CO 0.01 0.73 0.10 -0.07 -2.27 0.00 0.00 179.45 177.94 1bek h LEU 30 N 0.24 1.07 -0.56 5.20 3.38 -0.08 -1.35 115.31 123.22 1bek h LEU 30 Ca 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1bek h LEU 30 Cb 0.95 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1bek h LEU 30 CO 0.08 1.07 0.31 -0.09 0.09 0.00 0.00 178.44 179.90 1bek h ARG 31 N 1.03 0.77 -0.12 1.13 2.43 -1.17 -3.18 114.38 115.29 1bek h ARG 31 Ca 0.20 -0.08 -0.22 0.00 -0.81 0.00 0.00 59.98 59.07 1bek h ARG 31 Cb 0.46 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1bek h ARG 31 CO 0.02 0.59 -0.79 1.49 -1.51 0.00 0.00 179.97 179.76 1bek h GLU 32 N 0.75 0.67 -2.16 0.20 4.81 -1.03 -3.34 114.58 114.48 1bek h GLU 32 Ca 0.20 -0.57 -0.63 0.00 -0.13 0.00 0.00 59.36 58.24 1bek h GLU 32 Cb 0.03 0.12 -0.19 0.00 0.63 0.00 0.00 28.75 29.34 1bek h GLU 32 CO -0.03 1.18 1.02 -0.25 -0.73 0.00 0.00 179.01 180.20 1bek n ASP 33 N -3.90 7.09 0.00 1.04 9.92 -0.53 -4.74 116.55 125.43 1bek n ASP 33 Ca -0.07 -3.34 0.11 0.00 -0.53 0.00 0.00 54.79 50.96 1bek n ASP 33 Cb 0.75 -1.23 0.61 0.00 -0.64 0.00 0.00 41.12 40.61 1bek n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1bek n ASP 34 N 0.75 0.00 0.15 -2.24 5.68 -1.25 -3.71 116.55 115.93 1bek n ASP 34 Ca 0.53 -0.33 0.03 0.00 -0.50 0.00 0.00 54.79 54.52 1bek n ASP 34 Cb 0.40 -0.16 0.04 0.00 -1.14 0.00 0.00 41.12 40.26 1bek n ASP 34 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1bek h GLU 35 N 0.00 0.00 -5.99 0.11 5.08 -1.91 -3.33 114.58 108.53 1bek h GLU 35 Ca 0.00 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.59 1bek h GLU 35 Cb 0.12 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.43 1bek h GLU 35 CO 0.00 0.47 -0.01 0.98 -1.00 0.00 0.00 179.01 179.45 1bek n TYR 36 N -3.22 0.50 -3.74 4.33 9.36 -1.24 0.30 117.16 123.44 1bek n TYR 36 Ca 0.02 1.05 -0.28 0.00 3.32 0.00 0.00 57.90 62.00 1bek n TYR 36 Cb 0.72 -2.07 0.03 0.00 -0.63 0.00 0.00 39.34 37.38 1bek n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1bek n ASP 37 N 1.56 -3.57 -3.50 2.98 2.03 -1.26 -0.55 116.55 114.24 1bek n ASP 37 Ca 0.20 -0.99 -0.18 0.00 0.52 0.00 0.00 54.79 54.34 1bek n ASP 37 Cb 0.10 -3.41 0.07 0.00 -0.72 0.00 0.00 41.12 37.16 1bek n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1bek n ASN 38 N -2.81 -2.34 -1.41 1.67 5.03 -0.98 -2.71 115.26 111.71 1bek n ASN 38 Ca -0.17 -0.70 -0.16 0.00 0.87 0.00 0.00 54.58 54.42 1bek n ASN 38 Cb 0.63 -4.77 -0.05 0.00 -1.02 0.00 0.00 39.78 34.57 1bek n ASN 38 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bek n ALA 39 N -4.08 -0.32 0.07 5.41 0.00 0.15 -4.86 120.51 116.88 1bek n ALA 39 Ca -0.27 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 1bek n ALA 39 Cb 0.67 -1.72 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 1bek n ALA 39 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1bek h ILE 40 N 0.00 1.08 0.00 0.00 2.04 -0.62 -3.47 117.51 116.54 1bek h ILE 40 Ca -0.34 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 62.84 1bek h ILE 40 Cb 1.11 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1bek h ILE 40 CO 0.46 0.83 0.00 0.61 0.00 0.00 0.00 178.15 180.05 1bek n GLY 41 N 1.74 0.31 0.20 5.37 0.00 -0.40 -4.68 105.19 107.73 1bek n GLY 41 Ca -0.19 -1.88 0.15 0.00 0.00 0.00 0.00 46.02 44.09 1bek n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bek n TYR 42 N 0.51 0.00 -0.05 1.61 4.02 -1.26 -4.40 117.16 117.60 1bek n TYR 42 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1bek n TYR 42 Cb 0.00 -0.07 -0.08 0.00 -0.02 0.00 0.00 39.34 39.17 1bek n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1bek h GLY 43 N 4.94 -0.92 0.42 2.72 0.00 -1.94 -2.23 103.07 106.07 1bek h GLY 43 Ca 0.00 0.64 0.06 0.00 0.00 0.00 0.00 47.33 48.03 1bek h GLY 43 CO 0.00 -0.19 -0.05 -2.55 0.00 0.00 0.00 176.54 173.75 1bek h PRO 44 N -0.50 0.03 -0.02 4.80 0.11 -1.90 -1.08 132.00 133.44 1bek h PRO 44 Ca 0.06 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1bek h PRO 44 Cb 0.65 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1bek h PRO 44 CO -0.48 0.02 -0.10 -0.24 -0.21 0.00 0.00 178.00 176.99 1bek h VAL 45 N 0.03 1.09 -0.07 3.15 3.04 -1.78 -0.51 116.25 121.20 1bek h VAL 45 Ca 0.15 -0.41 -0.17 0.00 -1.01 0.00 0.00 66.70 65.26 1bek h VAL 45 Cb 0.22 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 1bek h VAL 45 CO -0.30 0.12 -0.69 -0.07 -1.01 0.00 0.00 177.57 175.62 1bek h LEU 46 N 0.03 0.36 -0.40 3.16 3.38 -0.70 0.08 115.31 121.23 1bek h LEU 46 Ca 0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1bek h LEU 46 Cb 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1bek h LEU 46 CO 0.01 0.94 0.05 0.58 0.09 0.00 0.00 178.44 180.12 1bek h VAL 47 N 0.21 1.25 -0.50 1.22 2.07 -0.08 -2.02 116.25 118.40 1bek h VAL 47 Ca -0.02 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1bek h VAL 47 Cb 1.25 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1bek h VAL 47 CO 0.11 0.31 0.23 -0.09 0.02 0.00 0.00 177.57 178.15 1bek h ARG 48 N 0.52 0.73 -0.42 1.57 2.43 -0.98 -2.12 114.38 116.10 1bek h ARG 48 Ca 0.12 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1bek h ARG 48 Cb 0.39 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1bek h ARG 48 CO 0.01 0.62 0.16 1.25 -1.51 0.00 0.00 179.97 180.50 1bek h LEU 49 N 0.67 0.19 -1.97 3.80 5.85 -0.72 -0.55 115.31 122.58 1bek h LEU 49 Ca 0.17 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1bek h LEU 49 Cb 0.14 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1bek h LEU 49 CO -0.02 0.15 -0.10 0.00 -0.34 0.00 0.00 178.44 178.13 1bek h ALA 50 N 1.26 1.58 0.04 1.25 0.00 -1.19 -1.59 119.26 120.61 1bek h ALA 50 Ca 0.19 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 1bek h ALA 50 Cb 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1bek h ALA 50 CO -0.18 0.12 -1.06 2.35 0.00 0.00 0.00 179.25 180.47 1bek h TRP 51 N 0.00 0.99 -0.20 0.00 2.91 -0.51 -3.10 115.95 116.04 1bek h TRP 51 Ca -0.00 -0.57 -0.10 0.00 1.13 0.00 0.00 58.89 59.35 1bek h TRP 51 Cb 0.20 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 1bek h TRP 51 CO 0.00 1.41 -0.31 0.45 -1.03 0.00 0.00 178.44 178.95 1bek h HIS 52 N 0.30 0.45 0.00 2.65 3.86 -0.45 0.19 115.15 122.15 1bek h HIS 52 Ca -0.14 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1bek h HIS 52 Cb 1.73 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 30.09 1bek h HIS 52 CO 0.11 0.67 0.00 -0.84 0.86 0.00 0.00 177.93 178.73 1bek h ILE 53 N 0.34 0.00 0.00 2.45 -0.00 -1.43 -3.28 117.51 115.59 1bek h ILE 53 Ca 0.04 -0.70 -0.14 0.00 -0.00 0.00 0.00 64.86 64.06 1bek h ILE 53 Cb 0.73 1.68 -0.03 0.00 -0.00 0.00 0.00 36.82 39.20 1bek h ILE 53 CO 0.06 0.00 -1.78 -1.20 -0.00 0.00 0.00 178.15 175.22 1bek n SER 54 N -2.76 0.39 -0.02 2.16 7.64 -0.75 -3.14 113.62 117.13 1bek n SER 54 Ca 0.04 0.16 0.16 0.00 1.01 0.00 0.00 58.87 60.24 1bek n SER 54 Cb 0.44 0.97 0.93 0.00 -1.01 0.00 0.00 64.21 65.54 1bek n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bek n GLY 55 N 1.41 -0.95 0.19 0.23 0.00 0.58 -3.25 105.19 103.40 1bek n GLY 55 Ca -0.12 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.83 1bek n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bek n THR 56 N -0.94 0.00 -1.88 2.61 -2.24 -1.26 -4.69 114.28 105.88 1bek n THR 56 Ca 0.24 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.55 1bek n THR 56 Cb 0.12 0.02 0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1bek n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1bek s TRP 57 N -2.30 2.31 -0.31 4.78 -0.00 -1.20 -4.17 118.94 118.05 1bek s TRP 57 Ca 0.33 1.45 -0.01 0.00 -0.00 0.00 0.00 56.10 57.88 1bek s TRP 57 Cb 0.20 -3.65 0.10 0.00 -0.00 0.00 0.00 33.47 30.12 1bek s TRP 57 CO 0.43 -2.60 0.10 0.34 -0.00 0.00 0.00 176.95 175.22 1bek s ASP 58 N -1.28 3.99 0.28 5.86 -1.08 -0.16 -4.70 116.67 119.59 1bek s ASP 58 Ca 0.75 -1.62 0.12 0.00 -0.52 0.00 0.00 52.55 51.28 1bek s ASP 58 Cb -0.36 -0.82 0.63 0.00 -1.46 0.00 0.00 42.92 40.91 1bek s ASP 58 CO 0.40 -0.42 1.25 2.29 0.52 0.00 0.00 175.17 179.21 1bek n LYS 59 N 4.87 0.08 -0.01 4.34 2.85 -0.93 0.02 118.16 129.38 1bek n LYS 59 Ca -0.02 0.54 -0.17 0.00 -1.05 0.00 0.00 58.31 57.61 1bek n LYS 59 Cb 0.42 -2.03 -0.12 0.00 -0.65 0.00 0.00 35.03 32.64 1bek n LYS 59 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bek h HIS 60 N 0.00 0.38 -0.15 5.58 3.86 -1.93 -3.37 115.15 119.52 1bek h HIS 60 Ca 0.00 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1bek h HIS 60 Cb 0.54 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1bek h HIS 60 CO 0.00 1.09 0.00 -0.40 0.86 0.00 0.00 177.93 179.48 1bek n ASP 61 N -4.36 2.26 -0.48 2.45 5.68 -0.71 -4.99 116.55 116.40 1bek n ASP 61 Ca -0.11 -1.79 -0.06 0.00 -0.50 0.00 0.00 54.79 52.33 1bek n ASP 61 Cb 0.62 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1bek n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1bek n ASN 62 N 0.19 -5.08 -4.85 -1.12 5.15 0.10 -4.46 115.26 105.19 1bek n ASN 62 Ca 0.06 0.16 -0.32 0.00 -0.60 0.00 0.00 54.58 53.88 1bek n ASN 62 Cb 0.30 -3.13 -0.05 0.00 -0.53 0.00 0.00 39.78 36.37 1bek n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1bek s THR 63 N -1.79 4.64 0.00 -0.44 -4.23 -1.24 -4.86 115.64 107.72 1bek s THR 63 Ca 0.00 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 1bek s THR 63 Cb 0.00 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1bek s THR 63 CO 0.00 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1bek n GLY 64 N -0.86 -1.82 0.00 3.99 0.00 -1.26 -0.99 105.19 104.25 1bek n GLY 64 Ca 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1bek n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bek n GLY 65 N 0.00 -0.41 0.23 -0.02 0.00 -1.26 -4.66 105.19 99.08 1bek n GLY 65 Ca 0.00 -1.79 0.09 0.00 0.00 0.00 0.00 46.02 44.32 1bek n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bek h SER 66 N 0.00 0.00 -0.04 1.61 4.64 -1.76 -3.41 113.55 114.59 1bek h SER 66 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bek h SER 66 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1bek h SER 66 CO 0.00 0.21 -0.03 0.00 -0.87 0.00 0.00 176.83 176.15 1bek n TYR 67 N -3.75 -0.02 1.15 4.77 9.36 -1.26 -2.52 117.16 124.89 1bek n TYR 67 Ca -0.02 0.05 0.11 0.00 3.32 0.00 0.00 57.90 61.37 1bek n TYR 67 Cb 0.32 -0.36 0.59 0.00 -0.63 0.00 0.00 39.34 39.26 1bek n TYR 67 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bek n GLY 68 N -1.01 -0.95 2.29 2.98 0.00 -1.23 -2.07 105.19 105.20 1bek n GLY 68 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1bek n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bek n GLY 69 N 0.56 -0.01 0.07 -0.02 0.00 -1.05 -2.17 105.19 102.58 1bek n GLY 69 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1bek n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bek n THR 70 N -2.91 1.34 0.00 2.61 -2.24 -1.26 -2.46 114.28 109.36 1bek n THR 70 Ca -0.14 0.61 0.21 0.00 -2.27 0.00 0.00 64.05 62.47 1bek n THR 70 Cb 0.55 -1.61 0.72 0.00 -2.10 0.00 0.00 70.33 67.88 1bek n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1bek h TYR 71 N 0.00 0.00 0.00 4.78 3.20 -1.94 0.76 116.97 123.78 1bek h TYR 71 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bek h TYR 71 Cb 0.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1bek h TYR 71 CO 0.00 0.00 0.00 0.07 -1.64 0.00 0.00 178.16 176.59 1bek h ARG 72 N 0.00 0.00 -6.41 1.82 0.11 -1.87 -3.04 114.38 104.99 1bek h ARG 72 Ca 0.26 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.80 1bek h ARG 72 Cb 1.11 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.17 1bek h ARG 72 CO -0.00 0.00 -0.18 -0.06 0.10 0.00 0.00 179.97 179.83 1bek s PHE 73 N -3.91 3.46 0.14 4.08 0.08 0.26 -4.91 117.98 117.18 1bek s PHE 73 Ca -0.04 0.66 -0.26 0.00 0.12 0.00 0.00 56.93 57.41 1bek s PHE 73 Cb 0.11 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 1bek s PHE 73 CO 0.34 0.25 1.60 1.57 -0.10 0.00 0.00 175.22 178.88 1bek h LYS 74 N 2.10 -0.38 -0.57 0.44 2.10 -1.86 0.47 116.57 118.86 1bek h LYS 74 Ca -0.47 0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.26 1bek h LYS 74 Cb 1.18 0.09 -0.07 0.00 -0.90 0.00 0.00 32.23 32.52 1bek h LYS 74 CO 0.68 -0.25 -0.37 -0.22 -2.00 0.00 0.00 179.45 177.28 1bek h LYS 75 N -0.39 -0.04 -0.04 0.07 3.64 -1.93 0.78 116.57 118.65 1bek h LYS 75 Ca 0.11 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1bek h LYS 75 Cb 0.57 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1bek h LYS 75 CO -0.41 -0.03 0.00 1.49 -2.27 0.00 0.00 179.45 178.23 1bek h GLU 76 N -0.04 0.06 -0.96 1.90 4.81 -1.79 -2.91 114.58 115.65 1bek h GLU 76 Ca 0.09 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1bek h GLU 76 Cb 0.28 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.58 1bek h GLU 76 CO -0.56 0.32 0.61 0.35 -0.73 0.00 0.00 179.01 179.00 1bek h PHE 77 N -0.20 1.06 -0.24 0.92 3.57 0.54 -0.95 116.94 121.64 1bek h PHE 77 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1bek h PHE 77 Cb 0.28 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1bek h PHE 77 CO 0.02 0.45 0.00 0.09 -2.23 0.00 0.00 178.31 176.64 1bek n ASN 78 N -4.57 1.42 -4.74 0.41 3.02 0.27 -4.84 115.26 106.22 1bek n ASN 78 Ca 0.17 -1.92 -0.42 0.00 -0.03 0.00 0.00 54.58 52.39 1bek n ASN 78 Cb 0.33 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 1bek n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1bek s ASP 79 N -1.13 6.48 0.27 6.41 -1.08 -0.36 -4.86 116.67 122.39 1bek s ASP 79 Ca 0.21 2.82 -0.02 0.00 -0.52 0.00 0.00 52.55 55.04 1bek s ASP 79 Cb 0.11 -2.62 0.41 0.00 -1.46 0.00 0.00 42.92 39.36 1bek s ASP 79 CO 0.15 -0.85 1.89 -0.65 0.52 0.00 0.00 175.17 176.23 1bek h PRO 80 N 5.44 1.14 0.00 4.34 0.11 -1.90 0.61 132.00 141.75 1bek h PRO 80 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1bek h PRO 80 Cb 1.21 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1bek h PRO 80 CO 0.83 0.76 0.00 0.77 -0.21 0.00 0.00 178.00 180.15 1bek h SER 81 N 1.18 0.00 0.48 -2.05 0.02 -1.96 -1.78 113.55 109.44 1bek h SER 81 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1bek h SER 81 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1bek h SER 81 CO -0.17 0.00 -0.37 0.59 -1.14 0.00 0.00 176.83 175.74 1bek n ASN 82 N -2.77 0.57 -4.37 3.07 3.02 0.21 -4.98 115.26 110.01 1bek n ASN 82 Ca -0.01 -0.34 -0.58 0.00 -0.03 0.00 0.00 54.58 53.62 1bek n ASN 82 Cb 0.12 0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.34 1bek n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bek n ALA 83 N -1.28 -3.38 0.00 5.41 0.00 -0.67 -1.31 120.51 119.28 1bek n ALA 83 Ca 0.08 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1bek n ALA 83 Cb 0.33 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1bek n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bek n GLY 84 N 1.63 3.36 0.24 0.00 0.00 -1.26 -4.86 105.19 104.30 1bek n GLY 84 Ca 0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.37 1bek n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bek h LEU 85 N 0.00 0.00 -1.90 0.99 3.38 -1.59 -2.99 115.31 113.20 1bek h LEU 85 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1bek h LEU 85 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1bek h LEU 85 CO 0.00 0.00 0.09 0.06 0.09 0.00 0.00 178.44 178.68 1bek h GLN 86 N 0.00 0.13 0.00 1.13 -0.00 -1.90 0.26 115.11 114.73 1bek h GLN 86 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.59 1bek h GLN 86 Cb 0.59 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.03 1bek h GLN 86 CO 0.00 0.09 -0.23 -0.91 -0.00 0.00 0.00 178.83 177.78 1bek h ASN 87 N 0.14 0.00 1.18 0.06 2.35 -1.93 -0.69 115.58 116.69 1bek h ASN 87 Ca 0.05 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1bek h ASN 87 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1bek h ASN 87 CO -0.01 0.23 -0.85 1.23 -1.65 0.00 0.00 177.43 176.38 1bek h GLY 88 N 1.58 0.00 0.67 2.83 0.00 -0.73 -2.50 103.07 104.93 1bek h GLY 88 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1bek h GLY 88 CO 0.03 0.00 -0.09 -2.75 0.00 0.00 0.00 176.54 173.73 1bek h PHE 89 N 0.00 -0.25 -0.96 5.60 3.57 -0.87 -2.06 116.94 121.98 1bek h PHE 89 Ca -0.06 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.63 1bek h PHE 89 Cb 1.50 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 40.24 1bek h PHE 89 CO 0.00 0.09 0.61 0.87 -2.23 0.00 0.00 178.31 177.64 1bek h LYS 90 N -0.60 0.61 -0.56 1.11 1.57 -1.17 0.20 116.57 117.72 1bek h LYS 90 Ca -0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1bek h LYS 90 Cb 0.44 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1bek h LYS 90 CO 0.04 0.40 0.30 0.35 -0.57 0.00 0.00 179.45 179.98 1bek h PHE 91 N 0.63 0.78 0.00 -1.35 3.57 -1.11 -3.10 116.94 116.35 1bek h PHE 91 Ca 0.52 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.89 1bek h PHE 91 Cb 0.98 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1bek h PHE 91 CO -0.00 0.58 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.05 1bek h LEU 92 N 0.76 0.00 -0.90 0.59 3.38 0.01 -3.38 115.31 115.76 1bek h LEU 92 Ca 0.20 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.32 1bek h LEU 92 Cb 0.06 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.66 1bek h LEU 92 CO -0.03 0.53 -0.32 -0.08 0.09 0.00 0.00 178.44 178.63 1bek h GLU 93 N 0.00 -0.03 0.00 1.13 4.22 -0.95 0.53 114.58 119.48 1bek h GLU 93 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1bek h GLU 93 Cb 1.12 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1bek h GLU 93 CO 0.07 -0.02 0.00 -1.00 -2.18 0.00 0.00 179.01 175.88 1bek h PRO 94 N -0.03 0.00 -0.00 0.92 0.13 -1.77 -1.57 132.00 129.68 1bek h PRO 94 Ca 0.36 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.24 1bek h PRO 94 Cb 0.61 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.76 1bek h PRO 94 CO -0.92 0.00 -0.99 0.82 -0.23 0.00 0.00 178.00 176.68 1bek h ILE 95 N 0.00 1.34 -0.65 -3.56 2.04 -0.18 -2.42 117.51 114.08 1bek h ILE 95 Ca 0.00 -2.34 -0.03 0.00 1.00 0.00 0.00 64.86 63.49 1bek h ILE 95 Cb 0.48 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 1bek h ILE 95 CO 0.00 0.71 0.29 -0.74 0.00 0.00 0.00 178.15 178.41 1bek h HIS 96 N 0.32 0.96 -0.49 1.37 2.76 -0.82 -0.42 115.15 118.83 1bek h HIS 96 Ca -0.11 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.04 1bek h HIS 96 Cb 1.64 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 30.28 1bek h HIS 96 CO 0.08 0.74 0.33 0.87 -1.30 0.00 0.00 177.93 178.64 1bek h LYS 97 N 0.90 0.51 0.00 5.26 6.56 -1.23 0.21 116.57 128.78 1bek h LYS 97 Ca 0.22 -0.03 -0.15 0.00 -1.06 0.00 0.00 60.65 59.63 1bek h LYS 97 Cb 0.16 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 1bek h LYS 97 CO -0.02 0.34 -0.72 1.49 -2.06 0.00 0.00 179.45 178.48 1bek h GLU 98 N 0.52 0.00 -2.09 3.15 4.81 -0.77 -3.36 114.58 116.84 1bek h GLU 98 Ca 0.20 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.85 1bek h GLU 98 Cb 0.14 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.12 1bek h GLU 98 CO -0.05 0.72 -0.89 1.19 -0.73 0.00 0.00 179.01 179.24 1bek n PHE 99 N -3.39 1.28 0.26 0.92 3.01 0.47 -4.94 117.46 115.07 1bek n PHE 99 Ca 0.00 -3.81 0.14 0.00 1.01 0.00 0.00 57.45 54.80 1bek n PHE 99 Cb 0.78 -0.43 0.71 0.00 -0.01 0.00 0.00 39.48 40.54 1bek n PHE 99 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1bek h PRO 100 N 4.11 0.00 -0.00 -1.08 0.13 -0.98 -2.50 132.00 131.68 1bek h PRO 100 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1bek h PRO 100 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1bek h PRO 100 CO 0.61 0.00 -0.11 -2.67 -0.23 0.00 0.00 178.00 175.60 1bek n TRP 101 N -2.51 0.00 -2.73 1.56 4.27 -1.26 -4.85 117.44 111.93 1bek n TRP 101 Ca -0.01 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.19 1bek n TRP 101 Cb 0.11 -0.15 -0.05 0.00 -1.36 0.00 0.00 31.31 29.86 1bek n TRP 101 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 1bek s ILE 102 N -2.42 4.32 0.77 -1.67 2.07 -0.94 -4.94 121.20 118.39 1bek s ILE 102 Ca 0.30 2.06 -0.11 0.00 -1.41 0.00 0.00 60.65 61.49 1bek s ILE 102 Cb 0.20 -4.31 0.05 0.00 0.13 0.00 0.00 42.46 38.53 1bek s ILE 102 CO 0.46 0.38 1.08 -0.94 -1.91 0.00 0.00 174.94 174.02 1bek s SER 103 N -0.43 4.64 0.07 4.50 1.04 -1.26 -4.87 113.70 117.39 1bek s SER 103 Ca 0.45 1.61 -0.33 0.00 0.48 0.00 0.00 55.95 58.17 1bek s SER 103 Cb -0.25 -2.37 -0.19 0.00 0.10 0.00 0.00 66.02 63.31 1bek s SER 103 CO 0.31 -1.92 1.59 0.28 0.98 0.00 0.00 173.24 174.49 1bek h SER 104 N -1.05 -0.76 -0.88 7.02 0.02 -1.92 -1.70 113.55 114.28 1bek h SER 104 Ca -0.45 0.02 0.21 0.00 -0.84 0.00 0.00 61.79 60.73 1bek h SER 104 Cb 1.24 0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.92 1bek h SER 104 CO 0.55 -0.53 0.59 1.23 -1.14 0.00 0.00 176.83 177.53 1bek h GLY 105 N -0.92 0.69 0.88 -3.77 0.00 -1.78 0.17 103.07 98.34 1bek h GLY 105 Ca -0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1bek h GLY 105 CO 0.15 -0.00 -0.04 -0.55 0.00 0.00 0.00 176.54 176.10 1bek h ASP 106 N 0.32 0.55 -0.24 0.19 5.19 -1.70 -2.63 116.42 118.10 1bek h ASP 106 Ca 0.45 -0.34 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1bek h ASP 106 Cb 1.24 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 1bek h ASP 106 CO -0.14 0.76 0.03 0.25 -3.12 0.00 0.00 179.24 177.01 1bek h LEU 107 N 0.33 0.39 -0.66 1.55 5.85 0.12 -0.30 115.31 122.59 1bek h LEU 107 Ca 0.08 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1bek h LEU 107 Cb 0.50 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1bek h LEU 107 CO 0.02 0.57 0.43 -0.26 -0.34 0.00 0.00 178.44 178.86 1bek h PHE 108 N 0.20 0.82 0.00 1.25 0.04 -1.03 -1.05 116.94 117.17 1bek h PHE 108 Ca 0.07 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.72 1bek h PHE 108 Cb 0.35 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1bek h PHE 108 CO 0.03 0.51 -0.69 0.66 -0.60 0.00 0.00 178.31 178.21 1bek h SER 109 N 0.88 0.00 0.67 2.17 4.64 -1.43 -3.07 113.55 117.41 1bek h SER 109 Ca 0.24 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.42 1bek h SER 109 Cb -0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1bek h SER 109 CO -0.06 0.69 -0.69 0.25 -0.87 0.00 0.00 176.83 176.16 1bek h LEU 110 N 0.00 0.02 -1.02 5.97 5.85 -0.51 -2.93 115.31 122.69 1bek h LEU 110 Ca -0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1bek h LEU 110 Cb 1.25 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1bek h LEU 110 CO 0.09 0.70 0.56 1.23 -0.34 0.00 0.00 178.44 180.67 1bek h GLY 111 N 2.02 1.31 0.95 3.75 0.00 -1.12 0.17 103.07 110.15 1bek h GLY 111 Ca -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1bek h GLY 111 CO 0.09 0.52 0.07 -1.33 0.00 0.00 0.00 176.54 175.90 1bek h GLY 112 N 1.26 0.19 0.96 4.60 0.00 -1.49 0.13 103.07 108.72 1bek h GLY 112 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1bek h GLY 112 CO -0.06 0.08 0.21 -2.08 0.00 0.00 0.00 176.54 174.69 1bek h VAL 113 N 0.13 1.16 -0.44 4.60 2.07 -1.26 -1.60 116.25 120.90 1bek h VAL 113 Ca 0.05 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1bek h VAL 113 Cb 0.05 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1bek h VAL 113 CO -0.01 0.17 0.29 0.74 0.02 0.00 0.00 177.57 178.78 1bek h THR 114 N 0.51 1.12 0.29 2.57 2.02 -0.51 -2.35 112.91 116.55 1bek h THR 114 Ca 0.14 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1bek h THR 114 Cb 0.08 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1bek h THR 114 CO -0.02 0.11 -0.30 0.00 0.37 0.00 0.00 175.52 175.68 1bek h ALA 115 N 1.16 -0.63 -0.31 6.16 0.00 -0.47 0.10 119.26 125.27 1bek h ALA 115 Ca 0.16 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1bek h ALA 115 Cb -0.06 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1bek h ALA 115 CO -0.03 -0.89 -0.07 0.28 0.00 0.00 0.00 179.25 178.54 1bek h VAL 116 N -0.63 0.70 -0.62 0.00 2.07 -1.12 -1.58 116.25 115.06 1bek h VAL 116 Ca -0.01 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1bek h VAL 116 Cb 0.58 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1bek h VAL 116 CO -0.07 0.00 0.20 1.56 0.02 0.00 0.00 177.57 179.29 1bek h GLN 117 N 0.01 0.97 0.00 1.57 4.20 -1.36 0.57 115.11 121.06 1bek h GLN 117 Ca 0.15 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1bek h GLN 117 Cb 0.23 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1bek h GLN 117 CO -0.31 0.85 0.00 0.93 -0.67 0.00 0.00 178.83 179.62 1bek h GLU 118 N 0.89 0.00 -0.73 1.46 4.39 -0.47 -2.96 114.58 117.17 1bek h GLU 118 Ca 0.20 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 1bek h GLU 118 Cb 0.28 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1bek h GLU 118 CO -0.01 0.00 0.09 -1.33 -1.16 0.00 0.00 179.01 176.61 1bek n MET 119 N -2.47 3.75 -1.12 2.33 2.81 -0.62 -4.88 117.12 116.92 1bek n MET 119 Ca 0.04 -2.50 -0.04 0.00 -1.81 0.00 0.00 57.70 53.39 1bek n MET 119 Cb 0.37 -2.09 -0.02 0.00 -0.71 0.00 0.00 33.22 30.78 1bek n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1bek n GLN 120 N 0.27 -0.53 0.00 0.03 6.02 -1.12 0.61 117.38 122.65 1bek n GLN 120 Ca 0.27 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 1bek n GLN 120 Cb 1.09 -4.20 0.00 0.00 1.02 0.00 0.00 30.24 28.14 1bek n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bek n GLY 121 N -2.00 -1.57 3.93 1.08 0.00 0.19 -4.75 105.19 102.08 1bek n GLY 121 Ca -0.04 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1bek n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bek s PRO 122 N -1.65 1.95 0.18 1.61 0.04 -1.26 -4.70 135.00 131.17 1bek s PRO 122 Ca 0.00 -0.32 -0.30 0.00 0.04 0.00 0.00 61.00 60.42 1bek s PRO 122 Cb 0.00 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1bek s PRO 122 CO 0.00 -1.42 0.97 0.15 0.04 0.00 0.00 177.00 176.73 1bek s LYS 123 N -5.34 4.76 -0.26 4.56 -0.14 -1.26 -4.39 119.74 117.67 1bek s LYS 123 Ca 0.62 1.50 -0.00 0.00 -1.36 0.00 0.00 55.97 56.73 1bek s LYS 123 Cb -0.09 -3.32 0.04 0.00 -1.68 0.00 0.00 37.83 32.78 1bek s LYS 123 CO 0.46 0.34 -0.06 0.42 -0.76 0.00 0.00 175.35 175.74 1bek s ILE 124 N -0.57 2.68 0.44 2.17 -1.09 -1.26 -4.88 121.20 118.69 1bek s ILE 124 Ca 0.44 -1.28 -0.25 0.00 -2.23 0.00 0.00 60.65 57.34 1bek s ILE 124 Cb -0.25 -2.45 -0.08 0.00 -1.58 0.00 0.00 42.46 38.10 1bek s ILE 124 CO 0.32 0.07 1.27 -2.84 -1.23 0.00 0.00 174.94 172.53 1bek s PRO 125 N 1.25 3.81 0.04 2.79 0.02 -1.26 -4.71 135.00 136.93 1bek s PRO 125 Ca -0.03 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.08 1bek s PRO 125 Cb -0.18 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.71 1bek s PRO 125 CO -0.04 -0.60 -0.09 -0.46 -0.33 0.00 0.00 177.00 175.48 1bek s TRP 126 N -1.33 0.74 -0.07 6.54 -0.00 -0.03 -4.80 118.94 119.99 1bek s TRP 126 Ca 0.60 -0.41 0.05 0.00 -0.00 0.00 0.00 56.10 56.34 1bek s TRP 126 Cb -0.36 -0.44 -0.01 0.00 -0.00 0.00 0.00 33.47 32.66 1bek s TRP 126 CO 0.45 -0.05 -0.23 1.03 -0.00 0.00 0.00 176.95 178.16 1bek s ARG 127 N -1.31 2.70 0.68 5.86 0.52 -1.26 0.14 118.95 126.27 1bek s ARG 127 Ca -0.06 -0.87 -0.03 0.00 -0.52 0.00 0.00 55.73 54.25 1bek s ARG 127 Cb -0.08 -2.24 0.08 0.00 0.52 0.00 0.00 34.95 33.22 1bek s ARG 127 CO 0.01 0.35 0.95 0.00 0.02 0.00 0.00 175.30 176.63 1bek n GLY 129 N -2.77 1.23 3.77 0.00 0.00 -1.26 -4.74 105.19 101.42 1bek n GLY 129 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1bek n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bek s ARG 130 N 0.00 4.11 -0.03 1.61 0.52 -1.26 0.18 118.95 124.08 1bek s ARG 130 Ca 0.00 2.20 0.05 0.00 -0.52 0.00 0.00 55.73 57.46 1bek s ARG 130 Cb 0.00 -2.87 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 1bek s ARG 130 CO 0.00 -0.39 -0.18 0.08 0.02 0.00 0.00 175.30 174.83 1bek s VAL 131 N -1.21 1.44 0.19 3.52 1.01 -0.88 -4.70 120.40 119.76 1bek s VAL 131 Ca 0.54 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 1bek s VAL 131 Cb -0.39 -1.22 -0.10 0.00 0.00 0.00 0.00 36.38 34.67 1bek s VAL 131 CO 0.51 0.41 1.49 -1.81 0.00 0.00 0.00 175.10 175.71 1bek s ASP 132 N -0.17 6.65 0.39 3.32 1.11 -1.26 -3.50 116.67 123.21 1bek s ASP 132 Ca 0.01 2.59 0.08 0.00 0.18 0.00 0.00 52.55 55.40 1bek s ASP 132 Cb -0.10 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.25 1bek s ASP 132 CO 0.01 -0.75 0.23 0.42 1.18 0.00 0.00 175.17 176.26 1bek s THR 133 N 0.72 2.61 0.73 -1.27 -4.23 -0.92 -4.98 115.64 108.28 1bek s THR 133 Ca 0.65 -1.59 -0.12 0.00 -1.18 0.00 0.00 61.69 59.45 1bek s THR 133 Cb -0.42 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.46 1bek s THR 133 CO 0.35 -0.05 1.10 -2.16 -0.54 0.00 0.00 174.62 173.33 1bek s PRO 134 N -3.95 2.45 0.53 3.99 0.05 -1.26 -4.82 135.00 131.98 1bek s PRO 134 Ca 0.42 1.26 0.31 0.00 0.05 0.00 0.00 61.00 63.04 1bek s PRO 134 Cb 0.00 -1.92 1.45 0.00 0.05 0.00 0.00 34.50 34.09 1bek s PRO 134 CO 0.24 -1.50 1.88 1.49 0.05 0.00 0.00 177.00 179.16 1bek h GLU 135 N -0.68 0.04 0.00 4.56 4.81 -1.98 0.92 114.58 122.24 1bek h GLU 135 Ca -0.45 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1bek h GLU 135 Cb 1.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1bek h GLU 135 CO 0.52 0.02 0.00 -0.40 -0.73 0.00 0.00 179.01 178.43 1bek n ASP 136 N -4.29 0.28 -0.88 1.04 5.75 -1.26 -2.53 116.55 114.66 1bek n ASP 136 Ca 0.19 0.57 0.12 0.00 -0.01 0.00 0.00 54.79 55.65 1bek n ASP 136 Cb 0.95 -0.63 0.27 0.00 -1.03 0.00 0.00 41.12 40.68 1bek n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bek n THR 137 N -1.81 0.28 -2.02 2.12 -2.24 0.32 -4.90 114.28 106.03 1bek n THR 137 Ca 0.03 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 1bek n THR 137 Cb 0.20 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 1bek n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1bek s THR 138 N -1.72 3.60 0.71 4.28 2.01 -1.05 -4.71 115.64 118.76 1bek s THR 138 Ca 0.35 0.72 -0.14 0.00 0.31 0.00 0.00 61.69 62.93 1bek s THR 138 Cb 0.20 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1bek s THR 138 CO 0.30 -0.07 1.14 -2.16 -0.69 0.00 0.00 174.62 173.14 1bek s PRO 139 N 4.03 2.44 0.64 4.92 0.04 -1.26 -5.00 135.00 140.81 1bek s PRO 139 Ca 0.73 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 1bek s PRO 139 Cb -0.33 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1bek s PRO 139 CO 0.29 -1.55 1.04 -0.51 0.04 0.00 0.00 177.00 176.32 1bek s ASP 140 N -2.50 5.87 0.76 6.66 1.11 -1.26 -4.65 116.67 122.66 1bek s ASP 140 Ca 0.69 1.57 -0.13 0.00 0.18 0.00 0.00 52.55 54.85 1bek s ASP 140 Cb -0.23 -2.49 0.06 0.00 1.07 0.00 0.00 42.92 41.33 1bek s ASP 140 CO 0.45 -1.11 1.14 0.20 1.18 0.00 0.00 175.17 177.03 1bek s ASN 141 N -3.72 4.22 0.00 0.27 0.02 -1.26 -4.10 114.94 110.37 1bek s ASN 141 Ca 0.58 2.12 0.00 0.00 -1.02 0.00 0.00 52.86 54.53 1bek s ASN 141 Cb -0.13 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.58 1bek s ASN 141 CO 0.50 -2.24 0.00 0.61 0.02 0.00 0.00 177.10 175.99 1bek n GLY 142 N -0.22 0.64 0.00 0.66 0.00 -1.26 -4.97 105.19 100.05 1bek n GLY 142 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1bek n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bek n ARG 143 N -1.26 0.01 -3.27 1.61 1.74 -1.26 -4.88 116.66 109.36 1bek n ARG 143 Ca 0.00 -0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1bek n ARG 143 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 1bek n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bek s LEU 144 N -3.00 4.30 0.49 0.55 1.43 -1.26 -4.76 118.68 116.43 1bek s LEU 144 Ca 0.12 1.18 -0.21 0.00 -1.03 0.00 0.00 54.13 54.19 1bek s LEU 144 Cb 0.18 -3.48 -0.07 0.00 0.03 0.00 0.00 46.19 42.85 1bek s LEU 144 CO 0.67 0.04 1.11 -2.16 0.23 0.00 0.00 176.35 176.24 1bek s PRO 145 N -2.14 3.63 0.49 1.29 0.04 -1.26 -5.06 135.00 132.00 1bek s PRO 145 Ca 0.42 1.59 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 1bek s PRO 145 Cb -0.15 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1bek s PRO 145 CO 0.20 -0.61 0.87 -0.51 0.04 0.00 0.00 177.00 176.99 1bek s ASP 146 N -1.68 6.41 -0.01 6.66 1.01 -1.26 -5.02 116.67 122.77 1bek s ASP 146 Ca 0.68 1.23 0.21 0.00 0.71 0.00 0.00 52.55 55.38 1bek s ASP 146 Cb -0.23 -2.37 -0.27 0.00 1.01 0.00 0.00 42.92 41.06 1bek s ASP 146 CO 0.28 -0.58 0.73 0.00 0.21 0.00 0.00 175.17 175.80 1bek n ALA 147 N -1.91 3.93 -1.14 5.23 0.00 -1.26 -4.49 120.51 120.88 1bek n ALA 147 Ca 0.04 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.70 1bek n ALA 147 Cb 0.54 -0.77 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 1bek n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1bek n ASP 148 N -1.82 6.49 -1.29 0.00 5.75 -1.26 -2.60 116.55 121.82 1bek n ASP 148 Ca 0.01 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.65 1bek n ASP 148 Cb 0.43 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 1bek n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1bek n LYS 149 N 0.55 1.43 -4.77 0.11 4.01 -1.26 -4.97 118.16 113.25 1bek n LYS 149 Ca 0.39 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.85 1bek n LYS 149 Cb 0.58 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 35.03 1bek n LYS 149 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1bek s ASP 150 N -0.62 4.18 0.37 4.39 1.47 -1.26 -3.26 116.67 121.94 1bek s ASP 150 Ca 0.00 -1.69 0.15 0.00 1.18 0.00 0.00 52.55 52.19 1bek s ASP 150 Cb 0.00 0.65 1.01 0.00 -0.34 0.00 0.00 42.92 44.25 1bek s ASP 150 CO 0.00 -0.92 1.77 0.00 0.68 0.00 0.00 175.17 176.70 1bek h ALA 151 N 1.28 2.07 -0.56 2.11 0.00 -1.90 0.21 119.26 122.48 1bek h ALA 151 Ca -0.44 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1bek h ALA 151 Cb 1.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1bek h ALA 151 CO 0.73 -0.48 0.04 0.78 0.00 0.00 0.00 179.25 180.32 1bek h GLY 152 N 0.48 1.04 0.82 0.00 0.00 -1.96 -1.01 103.07 102.44 1bek h GLY 152 Ca 0.60 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1bek h GLY 152 CO -0.34 0.68 0.02 -1.82 0.00 0.00 0.00 176.54 175.08 1bek h TYR 153 N 0.85 0.34 -0.82 5.60 5.03 -1.57 -1.49 116.97 124.91 1bek h TYR 153 Ca 0.16 -0.05 0.08 0.00 2.58 0.00 0.00 58.73 61.50 1bek h TYR 153 Cb 0.49 -0.09 -0.07 0.00 1.55 0.00 0.00 36.73 38.61 1bek h TYR 153 CO 0.04 0.49 0.48 0.28 -1.32 0.00 0.00 178.16 178.13 1bek h VAL 154 N 0.09 0.96 -0.23 1.81 2.07 -0.73 0.18 116.25 120.39 1bek h VAL 154 Ca 0.05 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1bek h VAL 154 Cb 0.34 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1bek h VAL 154 CO 0.01 0.15 0.03 -0.09 0.02 0.00 0.00 177.57 177.69 1bek h ARG 155 N 0.84 0.39 -0.03 1.57 2.43 -1.09 -2.11 114.38 116.39 1bek h ARG 155 Ca 0.38 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1bek h ARG 155 Cb 0.28 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1bek h ARG 155 CO -0.21 0.54 0.02 1.15 -1.51 0.00 0.00 179.97 179.95 1bek h THR 156 N 0.19 1.10 0.24 0.20 2.02 -0.86 -2.72 112.91 113.08 1bek h THR 156 Ca 0.07 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1bek h THR 156 Cb 0.35 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1bek h THR 156 CO 0.01 0.08 -0.39 0.15 0.37 0.00 0.00 175.52 175.73 1bek h PHE 157 N -0.07 -1.09 0.00 3.16 3.04 -0.58 -2.40 116.94 119.00 1bek h PHE 157 Ca 0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1bek h PHE 157 Cb 0.12 0.45 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1bek h PHE 157 CO -0.04 -0.52 0.00 1.19 -2.02 0.00 0.00 178.31 176.93 1bek n PHE 158 N -5.47 0.34 0.09 0.41 3.72 -0.80 -1.37 117.46 114.39 1bek n PHE 158 Ca -0.08 0.15 -0.05 0.00 -0.05 0.00 0.00 57.45 57.42 1bek n PHE 158 Cb 0.38 -0.75 0.12 0.00 -0.94 0.00 0.00 39.48 38.29 1bek n PHE 158 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1bek h GLN 159 N 0.00 0.19 0.00 -1.08 -0.00 -1.09 0.23 115.11 113.35 1bek h GLN 159 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1bek h GLN 159 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.66 1bek h GLN 159 CO 0.00 0.75 0.00 -0.09 0.00 0.00 0.00 178.83 179.49 1bek h ARG 160 N 0.14 0.00 -0.44 1.69 2.43 -1.26 0.80 114.38 117.74 1bek h ARG 160 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1bek h ARG 160 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1bek h ARG 160 CO 0.09 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.83 1bek n LEU 161 N -2.86 3.65 -1.87 3.80 4.77 -0.93 -2.18 117.00 121.39 1bek n LEU 161 Ca -0.01 -2.31 -0.17 0.00 -0.03 0.00 0.00 56.01 53.49 1bek n LEU 161 Cb 0.16 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1bek n LEU 161 CO 0.21 0.77 -0.21 0.59 -1.33 0.00 0.00 177.39 177.41 1bek n ASN 162 N 0.56 -5.08 -4.79 -1.43 3.02 0.27 -4.99 115.26 102.81 1bek n ASN 162 Ca 0.18 0.06 -0.36 0.00 -0.03 0.00 0.00 54.58 54.43 1bek n ASN 162 Cb 0.65 -4.16 -0.07 0.00 -0.61 0.00 0.00 39.78 35.58 1bek n ASN 162 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bek s MET 163 N -4.63 3.43 0.23 3.52 -1.94 0.75 -4.99 119.30 115.67 1bek s MET 163 Ca 0.00 -0.23 -0.01 0.00 -1.71 0.00 0.00 55.69 53.74 1bek s MET 163 Cb 0.00 -3.10 0.05 0.00 2.01 0.00 0.00 34.83 33.78 1bek s MET 163 CO 0.00 0.67 0.32 0.27 -0.01 0.00 0.00 175.02 176.27 1bek n ASN 164 N 2.29 0.38 -0.32 3.03 0.23 -1.26 -4.19 115.26 115.42 1bek n ASN 164 Ca -0.19 -1.33 -0.04 0.00 -0.53 0.00 0.00 54.58 52.49 1bek n ASN 164 Cb 0.54 -0.21 0.08 0.00 -2.08 0.00 0.00 39.78 38.12 1bek n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1bek h ASP 165 N -0.21 1.04 -0.08 0.53 3.32 -1.98 -1.07 116.42 117.97 1bek h ASP 165 Ca -0.10 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1bek h ASP 165 Cb 0.37 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1bek h ASP 165 CO 0.11 0.80 -0.28 -0.09 -1.72 0.00 0.00 179.24 178.06 1bek h ARG 166 N 1.19 0.54 -0.35 3.56 2.43 -1.97 -0.83 114.38 118.95 1bek h ARG 166 Ca 0.31 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1bek h ARG 166 Cb -0.05 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1bek h ARG 166 CO -0.06 0.77 -0.03 0.93 -1.51 0.00 0.00 179.97 180.06 1bek h GLU 167 N 0.47 0.64 -0.57 0.20 5.08 -1.78 -1.58 114.58 117.03 1bek h GLU 167 Ca 0.06 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1bek h GLU 167 Cb 0.73 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1bek h GLU 167 CO 0.06 0.78 0.33 0.28 -1.00 0.00 0.00 179.01 179.46 1bek h VAL 168 N 0.44 1.18 -0.24 3.13 2.07 -1.03 0.30 116.25 122.09 1bek h VAL 168 Ca 0.09 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 1bek h VAL 168 Cb 0.51 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1bek h VAL 168 CO 0.02 0.19 -0.31 0.58 0.02 0.00 0.00 177.57 178.07 1bek h VAL 169 N 0.77 1.28 0.23 2.57 2.07 -1.04 -1.84 116.25 120.30 1bek h VAL 169 Ca 0.20 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1bek h VAL 169 Cb 0.01 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1bek h VAL 169 CO -0.04 0.44 -0.11 0.00 0.02 0.00 0.00 177.57 177.88 1bek h ALA 170 N 1.24 -0.31 -0.84 1.67 0.00 -0.75 -2.99 119.26 117.28 1bek h ALA 170 Ca 0.05 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1bek h ALA 170 Cb 0.76 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1bek h ALA 170 CO 0.06 -0.60 0.46 -0.07 0.00 0.00 0.00 179.25 179.09 1bek h LEU 171 N -0.46 0.61 -2.39 0.00 3.38 -0.87 -2.19 115.31 113.39 1bek h LEU 171 Ca -0.03 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1bek h LEU 171 Cb 0.35 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1bek h LEU 171 CO 0.05 0.31 0.06 -0.03 0.09 0.00 0.00 178.44 178.93 1bek h MET 172 N 0.72 0.00 0.00 1.13 4.05 -1.19 -2.58 114.93 117.06 1bek h MET 172 Ca 0.43 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.85 1bek h MET 172 Cb 0.50 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1bek h MET 172 CO -0.30 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.25 1bek n GLY 173 N -1.35 -0.33 0.11 1.39 0.00 -0.82 -1.52 105.19 102.66 1bek n GLY 173 Ca -0.02 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1bek n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bek n ALA 174 N -0.88 2.21 0.29 4.61 0.00 -0.97 -2.78 120.51 122.99 1bek n ALA 174 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1bek n ALA 174 Cb 0.03 -1.46 0.17 0.00 0.00 0.00 0.00 19.45 18.19 1bek n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bek n HIS 175 N -2.26 0.00 0.34 0.00 8.25 -0.58 -0.84 115.22 120.13 1bek n HIS 175 Ca 0.05 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.66 1bek n HIS 175 Cb 0.41 -0.43 0.57 0.00 1.12 0.00 0.00 29.99 31.66 1bek n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bek h ALA 176 N 2.29 1.00 -2.69 -1.41 0.00 -1.76 -3.40 119.26 113.30 1bek h ALA 176 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1bek h ALA 176 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1bek h ALA 176 CO 0.00 0.00 -0.35 -0.51 0.00 0.00 0.00 179.25 178.39 1bek s LEU 177 N -5.46 4.39 0.00 0.00 1.43 -0.02 -4.37 118.68 114.65 1bek s LEU 177 Ca 0.03 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1bek s LEU 177 Cb 0.09 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1bek s LEU 177 CO 0.50 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.97 1bek n GLY 178 N 1.40 0.81 3.75 -3.19 0.00 -0.55 -4.93 105.19 102.48 1bek n GLY 178 Ca -0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 1bek n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bek s LYS 179 N 0.00 0.86 0.29 1.61 -2.85 -1.26 -4.29 119.74 114.10 1bek s LYS 179 Ca 0.00 -0.50 -0.01 0.00 -1.00 0.00 0.00 55.97 54.46 1bek s LYS 179 Cb 0.00 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 1bek s LYS 179 CO 0.00 -0.40 0.50 0.95 0.10 0.00 0.00 175.35 176.50 1bek s THR 180 N -2.67 5.13 -0.06 3.79 -4.23 0.76 -4.94 115.64 113.42 1bek s THR 180 Ca 0.16 -0.38 -0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1bek s THR 180 Cb 0.01 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.07 1bek s THR 180 CO 0.00 -0.40 -0.01 -1.00 -0.54 0.00 0.00 174.62 172.67 1bek s HIS 181 N -2.14 0.63 0.26 3.99 0.09 -0.85 -2.69 115.29 114.58 1bek s HIS 181 Ca 0.40 -0.15 -0.05 0.00 -0.00 0.00 0.00 55.06 55.26 1bek s HIS 181 Cb -0.10 -0.69 0.50 0.00 -0.00 0.00 0.00 32.58 32.29 1bek s HIS 181 CO 0.33 -0.25 1.62 1.25 -0.00 0.00 0.00 174.74 177.68 1bek h LEU 182 N 7.80 -0.39 -1.42 0.89 5.85 -1.23 -0.11 115.31 126.71 1bek h LEU 182 Ca -0.29 0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1bek h LEU 182 Cb 1.13 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1bek h LEU 182 CO 0.36 -0.21 -0.26 0.11 -0.34 0.00 0.00 178.44 178.10 1bek h LYS 183 N 0.09 0.05 0.00 1.25 6.56 -1.96 0.40 116.57 122.95 1bek h LYS 183 Ca 0.45 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 1bek h LYS 183 Cb 0.83 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 1bek h LYS 183 CO -0.73 0.31 -0.12 -0.91 -2.06 0.00 0.00 179.45 175.93 1bek h ASN 184 N 0.05 0.00 -0.00 0.86 2.35 -1.47 -3.43 115.58 113.93 1bek h ASN 184 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1bek h ASN 184 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1bek h ASN 184 CO 0.03 0.52 -0.14 -1.54 -1.65 0.00 0.00 177.43 174.66 1bek n SER 185 N -4.52 0.88 0.00 5.81 3.41 -0.21 -4.81 113.62 114.17 1bek n SER 185 Ca -0.02 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 1bek n SER 185 Cb 0.06 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1bek n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bek n GLY 186 N 0.76 0.77 3.13 5.00 0.00 0.13 -5.02 105.19 109.96 1bek n GLY 186 Ca 0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1bek n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bek s TYR 187 N -2.00 1.17 -0.04 1.61 1.51 -1.26 -4.60 117.35 113.73 1bek s TYR 187 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1bek s TYR 187 Cb 0.00 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.18 1bek s TYR 187 CO 0.00 0.03 -0.02 -2.00 -1.11 0.00 0.00 175.55 172.45 1bek s GLU 188 N -1.15 0.57 0.00 -0.62 2.56 -1.26 -0.62 118.70 118.17 1bek s GLU 188 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.97 54.98 1bek s GLU 188 Cb -0.08 -0.69 0.00 0.00 2.00 0.00 0.00 34.13 35.36 1bek s GLU 188 CO 0.01 -0.13 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 1bek n GLY 189 N 4.21 3.76 3.92 -1.50 0.00 -1.10 -4.91 105.19 109.58 1bek n GLY 189 Ca -0.24 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 1bek n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bek s PRO 190 N -3.18 3.53 0.00 1.61 0.04 -1.26 -0.17 135.00 135.56 1bek s PRO 190 Ca 0.00 -0.01 0.25 0.00 0.04 0.00 0.00 61.00 61.28 1bek s PRO 190 Cb 0.00 -2.50 0.46 0.00 0.04 0.00 0.00 34.50 32.50 1bek s PRO 190 CO 0.00 -0.05 1.38 0.91 0.04 0.00 0.00 177.00 179.28 1bek n TRP 191 N -2.00 0.00 -3.55 0.56 8.01 -1.26 -1.93 117.44 117.27 1bek n TRP 191 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 1bek n TRP 191 Cb 0.55 -0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 1bek n TRP 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bek n GLY 192 N 1.41 0.99 0.10 6.99 0.00 -1.26 -4.69 105.19 108.73 1bek n GLY 192 Ca 0.09 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 1bek n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bek h ALA 193 N 2.00 0.18 -1.51 4.61 0.00 -1.94 -3.41 119.26 119.19 1bek h ALA 193 Ca 0.00 -1.00 -0.75 0.00 0.00 0.00 0.00 54.91 53.16 1bek h ALA 193 Cb 0.00 0.49 -0.18 0.00 0.00 0.00 0.00 17.79 18.09 1bek h ALA 193 CO 0.00 0.55 1.48 0.00 0.00 0.00 0.00 179.25 181.28 1bek n ALA 194 N -3.10 4.47 1.91 0.00 0.00 -1.26 -4.82 120.51 117.71 1bek n ALA 194 Ca -0.25 -4.33 0.01 0.00 0.00 0.00 0.00 53.44 48.87 1bek n ALA 194 Cb 0.68 -2.95 0.02 0.00 0.00 0.00 0.00 19.45 17.19 1bek n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bek n ASN 195 N 4.60 0.15 -1.70 0.00 6.94 -1.26 -3.40 115.26 120.59 1bek n ASN 195 Ca 0.36 -2.00 0.01 0.00 -0.02 0.00 0.00 54.58 52.94 1bek n ASN 195 Cb 0.40 -0.02 0.01 0.00 -2.36 0.00 0.00 39.78 37.81 1bek n ASN 195 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1bek n ASN 196 N -0.42 0.62 -3.79 0.53 0.23 -1.26 -1.49 115.26 109.69 1bek n ASN 196 Ca 0.01 -2.01 -0.14 0.00 -0.53 0.00 0.00 54.58 51.90 1bek n ASN 196 Cb 0.02 -0.18 -0.16 0.00 -2.08 0.00 0.00 39.78 37.39 1bek n ASN 196 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bek s VAL 197 N -0.64 -0.05 -0.44 3.53 0.11 -1.22 -4.83 120.40 116.87 1bek s VAL 197 Ca 0.26 0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 59.20 1bek s VAL 197 Cb 0.31 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 35.11 1bek s VAL 197 CO -0.12 0.07 1.35 0.12 -3.33 0.00 0.00 175.10 173.20 1bek s PHE 198 N 0.87 2.49 0.36 1.54 5.36 0.20 -4.87 117.98 123.92 1bek s PHE 198 Ca -0.07 0.67 -0.01 0.00 -0.96 0.00 0.00 56.93 56.56 1bek s PHE 198 Cb -0.10 -4.35 0.00 0.00 -0.34 0.00 0.00 43.02 38.23 1bek s PHE 198 CO -0.02 -1.82 0.48 0.95 -1.46 0.00 0.00 175.22 173.34 1bek s THR 199 N 5.25 0.00 -1.84 0.12 -4.23 -1.26 -4.56 115.64 109.11 1bek s THR 199 Ca 0.58 -1.61 0.05 0.00 -1.18 0.00 0.00 61.69 59.52 1bek s THR 199 Cb -0.12 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.20 1bek s THR 199 CO 0.32 0.00 1.07 -0.46 -0.54 0.00 0.00 174.62 175.02 1bek n ASN 200 N -1.54 1.03 -0.32 3.99 0.23 -1.26 -4.37 115.26 113.02 1bek n ASN 200 Ca 0.01 -2.03 0.23 0.00 -0.53 0.00 0.00 54.58 52.26 1bek n ASN 200 Cb 0.61 -0.17 0.44 0.00 -2.08 0.00 0.00 39.78 38.58 1bek n ASN 200 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1bek h GLU 201 N 0.95 0.09 -0.53 -3.83 4.81 -1.94 -0.76 114.58 113.36 1bek h GLU 201 Ca 0.00 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.33 1bek h GLU 201 Cb 0.30 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.57 1bek h GLU 201 CO 0.01 0.06 -0.02 0.35 -0.73 0.00 0.00 179.01 178.69 1bek h PHE 202 N 0.09 -0.07 -0.40 0.92 3.57 -1.85 -0.53 116.94 118.68 1bek h PHE 202 Ca 0.71 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 62.20 1bek h PHE 202 Cb 1.68 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 1bek h PHE 202 CO -0.19 -0.14 0.05 1.88 -2.23 0.00 0.00 178.31 177.68 1bek h TYR 203 N 0.10 0.72 -0.31 0.41 0.05 -1.49 -2.10 116.97 114.35 1bek h TYR 203 Ca 0.27 -0.11 0.05 0.00 0.05 0.00 0.00 58.73 58.99 1bek h TYR 203 Cb 0.42 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 1bek h TYR 203 CO -0.34 0.72 0.05 -0.07 -1.05 0.00 0.00 178.16 177.46 1bek h LEU 204 N 0.52 -0.01 -0.66 3.88 3.38 -1.25 0.19 115.31 121.35 1bek h LEU 204 Ca 0.12 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1bek h LEU 204 Cb 0.40 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1bek h LEU 204 CO 0.01 0.03 0.27 0.78 0.09 0.00 0.00 178.44 179.62 1bek h ASN 205 N 0.16 0.91 -0.38 -0.43 2.35 -1.01 0.47 115.58 117.65 1bek h ASN 205 Ca 0.14 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1bek h ASN 205 Cb 0.16 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1bek h ASN 205 CO -0.20 0.83 0.05 0.25 -1.65 0.00 0.00 177.43 176.71 1bek h LEU 206 N 0.93 0.68 0.00 1.61 5.85 -0.82 -2.00 115.31 121.56 1bek h LEU 206 Ca 0.22 -0.13 -0.18 0.00 0.84 0.00 0.00 57.88 58.63 1bek h LEU 206 Cb 0.20 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1bek h LEU 206 CO -0.02 0.71 -1.02 -0.07 -0.34 0.00 0.00 178.44 177.70 1bek h LEU 207 N 0.69 0.00 0.00 2.25 3.38 0.22 -3.40 115.31 118.45 1bek h LEU 207 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1bek h LEU 207 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1bek h LEU 207 CO 0.01 0.76 -1.54 0.59 0.09 0.00 0.00 178.44 178.35 1bek n ASN 208 N -3.18 0.46 -4.93 -0.43 5.03 0.16 -4.99 115.26 107.38 1bek n ASN 208 Ca -0.04 0.18 -0.25 0.00 0.87 0.00 0.00 54.58 55.34 1bek n ASN 208 Cb 0.87 1.08 0.03 0.00 -1.02 0.00 0.00 39.78 40.74 1bek n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1bek s GLU 209 N -3.33 2.91 -0.56 3.52 0.41 -0.77 -5.03 118.70 115.85 1bek s GLU 209 Ca -0.04 -0.19 -0.09 0.00 -0.41 0.00 0.00 54.97 54.24 1bek s GLU 209 Cb 0.11 -2.36 0.14 0.00 -1.78 0.00 0.00 34.13 30.25 1bek s GLU 209 CO 0.84 -0.61 0.44 0.34 -0.49 0.00 0.00 175.26 175.79 1bek s ASP 210 N -4.30 5.80 -0.05 -0.19 2.15 -1.26 -4.98 116.67 113.84 1bek s ASP 210 Ca 0.53 -2.22 -0.20 0.00 0.43 0.00 0.00 52.55 51.08 1bek s ASP 210 Cb -0.10 -2.02 -0.05 0.00 -0.30 0.00 0.00 42.92 40.45 1bek s ASP 210 CO 0.43 -0.62 0.58 0.26 -0.17 0.00 0.00 175.17 175.65 1bek s TRP 211 N 0.90 3.61 -0.16 -5.34 0.52 -1.26 -4.03 118.94 113.18 1bek s TRP 211 Ca 0.10 1.12 -0.00 0.00 0.02 0.00 0.00 56.10 57.33 1bek s TRP 211 Cb -0.23 -2.64 -0.00 0.00 -1.15 0.00 0.00 33.47 29.46 1bek s TRP 211 CO -0.02 0.24 -0.14 0.15 0.02 0.00 0.00 176.95 177.19 1bek s LYS 212 N 0.29 3.24 0.02 4.98 3.01 0.11 -4.90 119.74 126.50 1bek s LYS 212 Ca 0.31 -0.73 -0.30 0.00 -1.01 0.00 0.00 55.97 54.24 1bek s LYS 212 Cb -0.17 -2.66 -0.04 0.00 -1.01 0.00 0.00 37.83 33.94 1bek s LYS 212 CO 0.15 0.00 1.06 -1.17 0.51 0.00 0.00 175.35 175.91 1bek s LEU 213 N 0.86 4.37 0.19 3.17 2.96 -1.26 0.42 118.68 129.39 1bek s LEU 213 Ca -0.04 1.80 -0.14 0.00 -0.22 0.00 0.00 54.13 55.52 1bek s LEU 213 Cb -0.15 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.98 1bek s LEU 213 CO -0.01 -0.34 0.45 -1.61 -1.32 0.00 0.00 176.35 173.52 1bek s GLU 214 N 1.02 1.34 0.01 1.98 2.02 0.38 -4.95 118.70 120.51 1bek s GLU 214 Ca 0.55 -1.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.49 1bek s GLU 214 Cb -0.24 0.47 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 1bek s GLU 214 CO 0.28 -0.55 0.21 0.15 0.02 0.00 0.00 175.26 175.37 1bek s LYS 215 N -3.92 3.46 0.52 1.61 1.02 -1.26 -0.38 119.74 120.79 1bek s LYS 215 Ca 0.13 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 55.88 1bek s LYS 215 Cb 0.00 -3.07 0.06 0.00 -0.52 0.00 0.00 37.83 34.30 1bek s LYS 215 CO -0.00 0.65 0.53 0.27 -0.92 0.00 0.00 175.35 175.87 1bek n ASN 216 N 0.78 2.37 0.25 2.83 0.23 0.63 -4.91 115.26 117.44 1bek n ASN 216 Ca -0.09 -2.63 0.17 0.00 -0.53 0.00 0.00 54.58 51.49 1bek n ASN 216 Cb 0.52 -0.18 0.89 0.00 -2.08 0.00 0.00 39.78 38.93 1bek n ASN 216 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1bek h ASP 217 N 0.40 0.00 0.01 0.53 3.32 -1.92 0.50 116.42 119.27 1bek h ASP 217 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1bek h ASP 217 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1bek h ASP 217 CO 0.45 0.00 -0.06 0.00 -1.72 0.00 0.00 179.24 177.91 1bek n ALA 218 N -1.92 2.66 -2.46 3.45 0.00 -1.26 -4.92 120.51 116.06 1bek n ALA 218 Ca -0.02 -0.50 -0.07 0.00 0.00 0.00 0.00 53.44 52.85 1bek n ALA 218 Cb 0.07 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1bek n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1bek n ASN 219 N 0.32 -2.90 -4.44 0.00 4.05 0.18 -5.04 115.26 107.42 1bek n ASN 219 Ca 0.17 -0.08 -0.27 0.00 0.45 0.00 0.00 54.58 54.84 1bek n ASN 219 Cb 0.41 -1.87 -0.12 0.00 1.23 0.00 0.00 39.78 39.44 1bek n ASN 219 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1bek s ASN 220 N -2.89 3.53 0.19 1.20 0.01 -1.25 -4.85 114.94 110.87 1bek s ASN 220 Ca 0.08 -0.82 -0.12 0.00 -0.71 0.00 0.00 52.86 51.29 1bek s ASN 220 Cb -0.04 -0.31 -0.07 0.00 0.41 0.00 0.00 41.25 41.24 1bek s ASN 220 CO 0.10 0.12 0.55 -1.61 -1.51 0.00 0.00 177.10 174.76 1bek s GLU 221 N -2.64 3.89 0.05 -0.60 2.02 -1.26 -0.27 118.70 119.88 1bek s GLU 221 Ca 0.21 0.39 -0.19 0.00 0.02 0.00 0.00 54.97 55.40 1bek s GLU 221 Cb -0.08 -2.79 0.04 0.00 0.10 0.00 0.00 34.13 31.40 1bek s GLU 221 CO 0.10 0.40 0.44 1.14 0.02 0.00 0.00 175.26 177.36 1bek s GLN 222 N -2.38 0.95 -0.26 1.61 -2.07 0.49 -4.61 119.66 113.39 1bek s GLN 222 Ca 0.43 -0.34 -0.18 0.00 -1.82 0.00 0.00 55.36 53.44 1bek s GLN 222 Cb -0.13 0.43 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 1bek s GLN 222 CO 0.20 -0.33 0.53 -1.58 -1.32 0.00 0.00 175.29 172.79 1bek s TRP 223 N -2.49 3.27 -0.02 9.60 0.52 -0.96 -0.47 118.94 128.39 1bek s TRP 223 Ca -0.05 0.66 0.03 0.00 0.02 0.00 0.00 56.10 56.76 1bek s TRP 223 Cb -0.01 -2.73 -0.03 0.00 -1.15 0.00 0.00 33.47 29.55 1bek s TRP 223 CO -0.02 -0.28 -0.08 -0.51 0.02 0.00 0.00 176.95 176.07 1bek s ASP 224 N 1.52 4.50 0.23 2.95 1.01 0.17 -1.19 116.67 125.85 1bek s ASP 224 Ca 0.22 -0.14 0.10 0.00 0.71 0.00 0.00 52.55 53.44 1bek s ASP 224 Cb -0.16 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.69 1bek s ASP 224 CO 0.09 0.31 -0.13 -0.94 0.21 0.00 0.00 175.17 174.70 1bek s SER 225 N -1.20 3.97 0.32 0.27 1.04 0.04 0.10 113.70 118.24 1bek s SER 225 Ca 0.15 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.82 1bek s SER 225 Cb -0.11 -0.54 0.54 0.00 0.10 0.00 0.00 66.02 66.01 1bek s SER 225 CO 0.05 0.07 1.94 0.07 0.98 0.00 0.00 173.24 176.35 1bek h LYS 226 N 2.57 0.83 0.00 4.02 -0.00 -1.87 -1.48 116.57 120.63 1bek h LYS 226 Ca -0.44 -0.09 0.00 0.00 -0.00 0.00 0.00 60.65 60.11 1bek h LYS 226 Cb 1.23 -0.17 0.00 0.00 -0.00 0.00 0.00 32.23 33.29 1bek h LYS 226 CO 0.56 0.63 0.00 0.43 -0.00 0.00 0.00 179.45 181.07 1bek n SER 227 N -4.37 0.00 0.00 7.07 7.64 -1.26 -4.80 113.62 117.89 1bek n SER 227 Ca 0.06 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1bek n SER 227 Cb 0.11 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1bek n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bek n GLY 228 N -0.78 0.92 4.01 0.23 0.00 -0.56 -5.09 105.19 103.92 1bek n GLY 228 Ca 0.02 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1bek n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bek s TYR 229 N -2.00 2.60 0.11 1.61 2.02 -1.24 -4.66 117.35 115.79 1bek s TYR 229 Ca 0.00 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1bek s TYR 229 Cb 0.00 -2.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1bek s TYR 229 CO 0.00 -0.62 0.08 0.00 -1.57 0.00 0.00 175.55 173.43 1bek s MET 230 N -4.48 0.87 -0.09 -0.62 0.23 -0.81 -0.78 119.30 113.62 1bek s MET 230 Ca 0.57 -1.30 -0.05 0.00 -1.03 0.00 0.00 55.69 53.87 1bek s MET 230 Cb -0.09 0.26 0.03 0.00 -1.53 0.00 0.00 34.83 33.50 1bek s MET 230 CO 0.35 -0.24 0.21 -1.64 -2.03 0.00 0.00 175.02 171.66 1bek s MET 231 N -3.99 0.20 0.71 3.16 -1.94 -0.33 -4.31 119.30 112.80 1bek s MET 231 Ca 0.17 0.40 -0.11 0.00 -1.71 0.00 0.00 55.69 54.44 1bek s MET 231 Cb 0.07 -0.04 0.02 0.00 2.01 0.00 0.00 34.83 36.89 1bek s MET 231 CO -0.03 -0.11 1.07 -0.51 -0.01 0.00 0.00 175.02 175.43 1bek s LEU 232 N 0.77 2.98 0.32 -0.03 1.43 -1.26 -2.27 118.68 120.62 1bek s LEU 232 Ca -0.05 1.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.56 1bek s LEU 232 Cb -0.07 -4.30 0.66 0.00 0.03 0.00 0.00 46.19 42.51 1bek s LEU 232 CO -0.04 -1.51 1.86 -0.65 0.23 0.00 0.00 176.35 176.24 1bek h PRO 233 N -0.77 0.85 -0.36 1.29 0.11 -1.81 0.23 132.00 131.54 1bek h PRO 233 Ca -0.45 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1bek h PRO 233 Cb 1.23 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1bek h PRO 233 CO 0.59 0.56 -0.21 1.79 -0.21 0.00 0.00 178.00 180.52 1bek h THR 234 N 0.88 1.27 -0.04 -1.15 1.35 -1.48 -0.26 112.91 113.48 1bek h THR 234 Ca 0.46 -1.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.02 1bek h THR 234 Cb 0.52 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1bek h THR 234 CO -0.22 0.43 -0.00 0.44 -0.25 0.00 0.00 175.52 175.92 1bek h ASP 235 N 0.61 0.07 -0.94 5.36 3.32 -1.06 -3.13 116.42 120.65 1bek h ASP 235 Ca 0.09 -0.32 0.11 0.00 0.02 0.00 0.00 57.03 56.94 1bek h ASP 235 Cb 0.69 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.15 1bek h ASP 235 CO 0.05 0.37 0.60 0.22 -1.72 0.00 0.00 179.24 178.76 1bek h TYR 236 N -0.23 1.01 -0.51 4.55 3.20 -0.49 -1.95 116.97 122.54 1bek h TYR 236 Ca 0.01 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.06 1bek h TYR 236 Cb 0.33 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1bek h TYR 236 CO 0.03 0.42 0.51 0.66 -1.64 0.00 0.00 178.16 178.15 1bek h SER 237 N 0.90 0.00 0.35 -2.11 4.64 -0.98 -0.04 113.55 116.30 1bek h SER 237 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1bek h SER 237 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1bek h SER 237 CO -0.22 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.92 1bek n LEU 238 N -3.77 0.60 -0.00 5.97 4.77 -0.73 -1.78 117.00 122.05 1bek n LEU 238 Ca 0.10 0.71 0.07 0.00 -0.03 0.00 0.00 56.01 56.86 1bek n LEU 238 Cb 0.72 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1bek n LEU 238 CO 0.29 -0.76 -0.13 2.30 -1.33 0.00 0.00 177.39 177.76 1bek n ILE 239 N -2.24 0.00 0.13 -0.08 -5.35 -0.03 -1.92 119.36 109.87 1bek n ILE 239 Ca 0.00 -0.20 -0.21 0.00 -0.27 0.00 0.00 62.75 62.07 1bek n ILE 239 Cb 0.13 0.88 -0.15 0.00 -1.74 0.00 0.00 39.64 38.75 1bek n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1bek h GLN 240 N 0.00 0.43 -6.12 6.28 4.20 -1.33 -3.45 115.11 115.12 1bek h GLN 240 Ca 0.00 -0.73 -0.56 0.00 0.06 0.00 0.00 58.65 57.42 1bek h GLN 240 Cb 0.37 0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 1bek h GLN 240 CO 0.00 1.35 0.13 0.34 -0.67 0.00 0.00 178.83 179.98 1bek s ASP 241 N -7.40 7.07 0.22 1.46 -1.08 -0.76 -4.94 116.67 111.23 1bek s ASP 241 Ca -0.07 1.28 -0.08 0.00 -0.52 0.00 0.00 52.55 53.16 1bek s ASP 241 Cb 0.05 -2.44 0.28 0.00 -1.46 0.00 0.00 42.92 39.36 1bek s ASP 241 CO 0.92 -0.11 1.81 -0.65 0.52 0.00 0.00 175.17 177.66 1bek h PRO 242 N 6.58 0.71 -0.04 4.34 0.11 -1.89 0.57 132.00 142.38 1bek h PRO 242 Ca -0.42 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1bek h PRO 242 Cb 1.20 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.16 1bek h PRO 242 CO 0.74 0.47 -0.34 0.87 -0.21 0.00 0.00 178.00 179.53 1bek h LYS 243 N 0.74 0.30 -0.46 1.05 6.56 -1.94 -3.17 116.57 119.65 1bek h LYS 243 Ca 0.33 -0.27 -0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1bek h LYS 243 Cb 0.22 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.93 1bek h LYS 243 CO -0.20 0.94 0.27 1.88 -2.06 0.00 0.00 179.45 180.28 1bek h TYR 244 N -0.24 0.61 -0.90 -1.35 0.05 -1.71 -3.16 116.97 110.27 1bek h TYR 244 Ca -0.03 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.89 1bek h TYR 244 Cb 1.03 -0.20 -0.09 0.00 1.01 0.00 0.00 36.73 38.48 1bek h TYR 244 CO 0.14 0.44 0.51 1.25 -1.05 0.00 0.00 178.16 179.45 1bek h LEU 245 N 0.61 0.67 -0.81 3.88 6.46 0.84 -0.37 115.31 126.58 1bek h LEU 245 Ca 0.16 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1bek h LEU 245 Cb 0.01 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1bek h LEU 245 CO -0.03 0.30 -0.31 0.77 -0.62 0.00 0.00 178.44 178.55 1bek h SER 246 N 0.74 0.00 -0.04 1.25 4.64 -1.52 -0.77 113.55 117.85 1bek h SER 246 Ca 0.48 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.55 1bek h SER 246 Cb 0.63 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1bek h SER 246 CO -0.33 0.31 -0.94 0.40 -0.87 0.00 0.00 176.83 175.40 1bek h ILE 247 N 0.00 1.29 -0.70 0.95 2.04 -1.26 -2.40 117.51 117.43 1bek h ILE 247 Ca -0.00 -2.16 0.10 0.00 1.00 0.00 0.00 64.86 63.80 1bek h ILE 247 Cb 0.92 2.30 -0.07 0.00 -0.74 0.00 0.00 36.82 39.23 1bek h ILE 247 CO 0.04 0.67 0.33 0.58 0.00 0.00 0.00 178.15 179.77 1bek h VAL 248 N 0.38 0.82 -0.37 1.67 2.07 -0.85 -0.69 116.25 119.28 1bek h VAL 248 Ca -0.11 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1bek h VAL 248 Cb 1.59 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1bek h VAL 248 CO 0.19 0.10 0.07 0.11 0.02 0.00 0.00 177.57 178.06 1bek h LYS 249 N 0.56 0.55 -0.29 1.57 1.57 -1.02 -0.65 116.57 118.85 1bek h LYS 249 Ca 0.35 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1bek h LYS 249 Cb 0.40 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1bek h LYS 249 CO -0.29 0.52 -0.34 1.49 -0.57 0.00 0.00 179.45 180.27 1bek h GLU 250 N 0.54 0.62 0.00 3.15 4.81 -0.64 -2.23 114.58 120.84 1bek h GLU 250 Ca 0.12 -0.29 -0.16 0.00 -0.13 0.00 0.00 59.36 58.91 1bek h GLU 250 Cb 0.24 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1bek h GLU 250 CO -0.00 0.87 -0.75 1.88 -0.73 0.00 0.00 179.01 180.28 1bek h TYR 251 N 0.53 0.00 -0.08 0.92 0.05 -0.81 0.30 116.97 117.88 1bek h TYR 251 Ca 0.06 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 1bek h TYR 251 Cb 0.83 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 1bek h TYR 251 CO 0.04 0.75 -0.18 0.00 -1.05 0.00 0.00 178.16 177.72 1bek h ALA 252 N 1.25 1.55 0.00 3.88 0.00 -0.93 -2.98 119.26 122.02 1bek h ALA 252 Ca -0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1bek h ALA 252 Cb 1.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1bek h ALA 252 CO 0.10 0.33 -1.54 0.09 0.00 0.00 0.00 179.25 178.23 1bek n ASN 253 N -4.27 0.63 -3.51 0.00 3.02 -0.85 -4.79 115.26 105.49 1bek n ASN 253 Ca -0.01 0.27 -0.29 0.00 -0.03 0.00 0.00 54.58 54.51 1bek n ASN 253 Cb 0.28 0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 39.91 1bek n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1bek s ASP 254 N -5.47 3.25 0.51 6.41 2.15 0.07 -4.95 116.67 118.64 1bek s ASP 254 Ca -0.04 -1.79 0.21 0.00 0.43 0.00 0.00 52.55 51.36 1bek s ASP 254 Cb 0.09 -0.40 1.31 0.00 -0.30 0.00 0.00 42.92 43.62 1bek s ASP 254 CO 0.82 -0.37 2.03 -0.61 -0.17 0.00 0.00 175.17 176.88 1bek h GLN 255 N 7.64 0.07 -0.35 4.34 4.15 -1.85 -1.37 115.11 127.73 1bek h GLN 255 Ca -0.06 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.20 1bek h GLN 255 Cb 0.99 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.66 1bek h GLN 255 CO 0.35 0.04 -0.41 -0.44 -1.93 0.00 0.00 178.83 176.44 1bek h ASP 256 N 0.07 0.97 -0.29 -0.69 5.19 -1.92 -1.46 116.42 118.28 1bek h ASP 256 Ca 0.20 -0.48 0.03 0.00 -0.62 0.00 0.00 57.03 56.16 1bek h ASP 256 Cb 0.69 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 1bek h ASP 256 CO -0.01 1.26 0.08 0.50 -3.12 0.00 0.00 179.24 177.95 1bek h LYS 257 N 0.70 0.20 -0.42 3.56 1.63 -1.67 -1.60 116.57 118.97 1bek h LYS 257 Ca 0.05 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.90 1bek h LYS 257 Cb 1.01 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.54 1bek h LYS 257 CO 0.10 0.13 0.08 0.35 -3.45 0.00 0.00 179.45 176.66 1bek h PHE 258 N 0.20 0.14 -0.18 1.91 3.57 -1.07 -0.49 116.94 121.02 1bek h PHE 258 Ca 0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1bek h PHE 258 Cb 0.11 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1bek h PHE 258 CO -0.15 0.01 0.11 0.74 -2.23 0.00 0.00 178.31 176.80 1bek h PHE 259 N 0.22 0.22 -0.16 0.41 -1.00 -0.83 0.57 116.94 116.36 1bek h PHE 259 Ca 0.20 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.99 1bek h PHE 259 Cb 0.25 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 1bek h PHE 259 CO -0.20 0.14 0.09 0.87 -1.61 0.00 0.00 178.31 177.60 1bek h LYS 260 N 0.23 0.23 -0.52 1.51 6.56 -0.98 -0.71 116.57 122.89 1bek h LYS 260 Ca 0.06 -0.02 -0.09 0.00 -1.06 0.00 0.00 60.65 59.54 1bek h LYS 260 Cb -0.02 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.57 1bek h LYS 260 CO -0.02 0.21 -0.03 -0.44 -2.06 0.00 0.00 179.45 177.11 1bek h ASP 261 N 0.18 0.89 -0.30 0.86 3.32 -1.01 -2.38 116.42 117.97 1bek h ASP 261 Ca 0.06 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1bek h ASP 261 Cb 0.05 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1bek h ASP 261 CO -0.01 0.97 0.18 0.15 -1.72 0.00 0.00 179.24 178.81 1bek h PHE 262 N 0.83 0.39 0.26 4.55 3.57 -0.60 -0.27 116.94 125.67 1bek h PHE 262 Ca 0.15 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1bek h PHE 262 Cb 0.54 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1bek h PHE 262 CO 0.03 0.29 -0.50 1.03 -2.23 0.00 0.00 178.31 176.93 1bek h SER 263 N 0.38 -1.44 -0.75 0.41 0.87 -1.05 0.20 113.55 112.17 1bek h SER 263 Ca 0.11 0.14 0.06 0.00 -1.23 0.00 0.00 61.79 60.87 1bek h SER 263 Cb 0.01 0.51 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 1bek h SER 263 CO -0.02 -0.58 0.43 0.11 -0.53 0.00 0.00 176.83 176.24 1bek h LYS 264 N -0.82 0.76 -0.22 2.24 1.57 -1.33 -2.07 116.57 116.70 1bek h LYS 264 Ca -0.02 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1bek h LYS 264 Cb 0.79 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1bek h LYS 264 CO -0.20 0.51 -0.48 0.00 -0.57 0.00 0.00 179.45 178.70 1bek h ALA 265 N 1.38 0.74 -0.13 3.86 0.00 -0.50 -2.74 119.26 121.86 1bek h ALA 265 Ca 0.33 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1bek h ALA 265 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1bek h ALA 265 CO -0.19 0.67 0.04 0.35 0.00 0.00 0.00 179.25 180.12 1bek h PHE 266 N 0.47 0.22 0.01 0.00 3.57 -0.44 0.15 116.94 120.92 1bek h PHE 266 Ca 0.02 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1bek h PHE 266 Cb 1.02 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1bek h PHE 266 CO 0.04 0.35 -0.04 1.49 -2.23 0.00 0.00 178.31 177.92 1bek h GLU 267 N 0.02 -0.07 -0.59 1.11 4.81 -1.41 -0.65 114.58 117.81 1bek h GLU 267 Ca 0.04 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1bek h GLU 267 Cb 0.24 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 1bek h GLU 267 CO -0.00 -0.05 0.25 -0.22 -0.73 0.00 0.00 179.01 178.26 1bek h LYS 268 N -0.07 0.44 -0.78 1.92 3.64 -1.39 0.36 116.57 120.68 1bek h LYS 268 Ca 0.01 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1bek h LYS 268 Cb 0.09 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1bek h LYS 268 CO -0.04 0.29 0.46 1.25 -2.27 0.00 0.00 179.45 179.14 1bek h LEU 269 N 0.45 0.70 0.00 5.20 5.85 -0.10 -0.45 115.31 126.96 1bek h LEU 269 Ca 0.29 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1bek h LEU 269 Cb 0.30 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1bek h LEU 269 CO -0.26 0.44 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.20 1bek h LEU 270 N 0.83 0.00 -1.94 2.25 3.38 0.44 -3.10 115.31 117.17 1bek h LEU 270 Ca 0.35 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1bek h LEU 270 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1bek h LEU 270 CO -0.19 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.72 1bek n GLU 271 N -2.44 2.33 -1.84 1.13 1.02 0.11 -4.70 120.64 116.24 1bek n GLU 271 Ca 0.05 -1.93 -0.41 0.00 -0.02 0.00 0.00 57.16 54.84 1bek n GLU 271 Cb 0.45 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 1bek n GLU 271 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bek s ASP 272 N -1.96 6.43 0.00 1.62 1.01 -0.26 -2.48 116.67 121.04 1bek s ASP 272 Ca 0.29 2.92 0.00 0.00 0.71 0.00 0.00 52.55 56.47 1bek s ASP 272 Cb 0.20 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1bek s ASP 272 CO 0.30 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.45 1bek n GLY 273 N 1.59 0.87 3.68 0.21 0.00 -1.26 -4.44 105.19 105.84 1bek n GLY 273 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1bek n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bek s ILE 274 N -3.42 4.37 -0.24 -0.61 1.01 -1.03 -4.25 121.20 117.03 1bek s ILE 274 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.33 1bek s ILE 274 Cb 0.00 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1bek s ILE 274 CO 0.00 0.60 0.15 -0.89 0.00 0.00 0.00 174.94 174.79 1bek s THR 275 N -0.80 5.21 -0.37 2.92 2.01 0.39 -4.95 115.64 120.04 1bek s THR 275 Ca 0.12 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 1bek s THR 275 Cb -0.11 -3.43 0.03 0.00 0.01 0.00 0.00 72.50 68.99 1bek s THR 275 CO 0.02 0.34 0.20 -0.36 -0.69 0.00 0.00 174.62 174.14 1bek s PHE 276 N 1.14 3.25 0.87 4.92 0.08 -1.26 -0.61 117.98 126.37 1bek s PHE 276 Ca 0.07 -1.01 -0.14 0.00 0.12 0.00 0.00 56.93 55.97 1bek s PHE 276 Cb -0.14 -2.43 0.02 0.00 -0.57 0.00 0.00 43.02 39.89 1bek s PHE 276 CO 0.05 -0.66 0.48 -2.30 -0.10 0.00 0.00 175.22 172.69 1bek n PRO 277 N 4.99 -0.08 0.23 0.24 -0.02 -1.26 -4.83 135.00 134.26 1bek n PRO 277 Ca -0.12 0.02 0.07 0.00 -2.02 0.00 0.00 63.50 61.45 1bek n PRO 277 Cb 0.46 -1.88 0.58 0.00 -0.02 0.00 0.00 33.50 32.64 1bek n PRO 277 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1bek h LYS 278 N -1.16 0.04 -0.10 -0.52 2.10 -2.01 -1.36 116.57 113.56 1bek h LYS 278 Ca -0.44 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1bek h LYS 278 Cb 1.30 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1bek h LYS 278 CO 0.37 0.09 0.00 -0.40 -2.00 0.00 0.00 179.45 177.51 1bek n ASP 279 N -4.46 1.60 -4.74 7.07 5.75 -1.26 -4.91 116.55 115.59 1bek n ASP 279 Ca -0.02 -1.62 -0.36 0.00 -0.01 0.00 0.00 54.79 52.77 1bek n ASP 279 Cb 0.14 -0.06 0.05 0.00 -1.03 0.00 0.00 41.12 40.22 1bek n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bek s ALA 280 N -1.88 2.46 0.62 2.12 0.00 -0.51 -4.96 121.76 119.61 1bek s ALA 280 Ca 0.35 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 1bek s ALA 280 Cb 0.19 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1bek s ALA 280 CO 0.29 -1.37 1.09 -1.25 0.00 0.00 0.00 175.76 174.52 1bek s PRO 281 N -3.37 3.05 1.07 0.00 0.04 -1.26 -5.00 135.00 129.53 1bek s PRO 281 Ca 0.80 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 1bek s PRO 281 Cb -0.33 -1.99 0.21 0.00 0.04 0.00 0.00 34.50 32.42 1bek s PRO 281 CO 0.36 -1.04 0.89 0.43 0.04 0.00 0.00 177.00 177.69 1bek n SER 282 N -2.18 -1.19 -4.79 6.66 7.64 -1.26 -4.93 113.62 113.57 1bek n SER 282 Ca 0.10 0.07 -0.35 0.00 1.01 0.00 0.00 58.87 59.69 1bek n SER 282 Cb 0.52 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.40 1bek n SER 282 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1bek s PRO 283 N -4.30 3.78 0.14 1.43 0.02 -1.26 -4.93 135.00 129.87 1bek s PRO 283 Ca 0.66 1.48 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 1bek s PRO 283 Cb -0.23 -2.19 -0.06 0.00 0.02 0.00 0.00 34.50 32.04 1bek s PRO 283 CO 0.63 -0.47 0.42 -0.06 -0.33 0.00 0.00 177.00 177.20 1bek s PHE 284 N -1.84 3.51 -0.33 6.54 0.08 0.12 -4.78 117.98 121.28 1bek s PHE 284 Ca 0.66 0.71 -0.01 0.00 0.12 0.00 0.00 56.93 58.41 1bek s PHE 284 Cb -0.20 -2.12 0.07 0.00 -0.57 0.00 0.00 43.02 40.20 1bek s PHE 284 CO 0.24 0.43 0.05 0.42 -0.10 0.00 0.00 175.22 176.26 1bek s ILE 285 N -1.59 2.96 0.53 0.64 1.09 -1.26 -0.85 121.20 122.72 1bek s ILE 285 Ca 0.39 -1.67 -0.18 0.00 -1.10 0.00 0.00 60.65 58.10 1bek s ILE 285 Cb -0.13 -2.84 -0.06 0.00 -1.06 0.00 0.00 42.46 38.37 1bek s ILE 285 CO 0.21 -0.31 1.03 -0.36 -0.10 0.00 0.00 174.94 175.41 1bek s PHE 286 N 1.18 3.12 0.29 3.97 0.08 -1.26 -5.04 117.98 120.32 1bek s PHE 286 Ca -0.00 1.53 -0.17 0.00 0.12 0.00 0.00 56.93 58.40 1bek s PHE 286 Cb -0.20 -2.96 -0.09 0.00 -0.57 0.00 0.00 43.02 39.20 1bek s PHE 286 CO -0.03 -0.79 0.74 0.15 -0.10 0.00 0.00 175.22 175.19 1bek s LYS 287 N -3.78 4.11 0.81 0.44 -0.14 -1.26 -5.02 119.74 114.91 1bek s LYS 287 Ca 0.63 0.77 -0.10 0.00 -1.36 0.00 0.00 55.97 55.91 1bek s LYS 287 Cb -0.14 -2.60 0.12 0.00 -1.68 0.00 0.00 37.83 33.53 1bek s LYS 287 CO 0.29 0.24 1.15 0.95 -0.76 0.00 0.00 175.35 177.23 1bek s THR 288 N -1.81 2.10 0.15 2.17 -4.23 -1.26 -4.89 115.64 107.87 1bek s THR 288 Ca 0.50 -0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 60.69 1bek s THR 288 Cb -0.13 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.79 1bek s THR 288 CO 0.19 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 175.94 1bek h LEU 289 N -1.04 0.07 -1.49 4.79 3.38 -1.96 -0.94 115.31 118.13 1bek h LEU 289 Ca -0.44 0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1bek h LEU 289 Cb 1.29 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1bek h LEU 289 CO 0.52 0.08 0.38 -0.08 0.09 0.00 0.00 178.44 179.43 1bek h GLU 290 N 0.23 0.65 0.00 1.13 4.81 -1.92 0.23 114.58 119.71 1bek h GLU 290 Ca 0.16 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1bek h GLU 290 Cb 0.16 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1bek h GLU 290 CO -0.19 0.43 -0.01 0.93 -0.73 0.00 0.00 179.01 179.45 1bek h GLU 291 N 0.67 0.00 -0.21 1.92 5.08 -1.53 -1.46 114.58 119.04 1bek h GLU 291 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1bek h GLU 291 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1bek h GLU 291 CO -0.06 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 178.99 1bek n GLN 292 N -3.10 2.28 -2.45 2.33 6.02 0.66 -4.94 117.38 118.18 1bek n GLN 292 Ca 0.01 -1.91 -0.15 0.00 -0.01 0.00 0.00 57.00 54.93 1bek n GLN 292 Cb 0.31 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1bek n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bek n GLY 293 N 1.38 -0.22 0.37 1.08 0.00 -0.27 -5.08 105.19 102.45 1bek n GLY 293 Ca 0.17 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1bek n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36