#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aek s VAL 5 N 0.00 3.74 -0.27 4.08 1.01 -1.26 -4.79 120.40 122.91 1aek s VAL 5 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1aek s VAL 5 Cb 0.00 -2.56 0.08 0.00 0.00 0.00 0.00 36.38 33.90 1aek s VAL 5 CO 0.00 0.57 0.02 -1.00 0.00 0.00 0.00 175.10 174.68 1aek s HIS 6 N -0.43 2.31 -0.22 5.22 3.76 -1.26 -5.07 115.29 119.60 1aek s HIS 6 Ca 0.06 -1.89 -0.11 0.00 -0.15 0.00 0.00 55.06 52.98 1aek s HIS 6 Cb -0.12 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 1aek s HIS 6 CO 0.02 -0.82 0.17 0.08 -0.85 0.00 0.00 174.74 173.34 1aek s VAL 7 N 1.42 5.37 0.09 -0.90 1.01 -1.26 -0.06 120.40 126.06 1aek s VAL 7 Ca 0.02 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1aek s VAL 7 Cb -0.18 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 1aek s VAL 7 CO -0.12 0.37 1.89 0.00 0.00 0.00 0.00 175.10 177.24 1aek n ALA 8 N 4.06 2.00 -4.03 5.51 0.00 0.41 -4.86 120.51 123.61 1aek n ALA 8 Ca -0.15 0.28 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1aek n ALA 8 Cb 0.52 -2.63 -0.15 0.00 0.00 0.00 0.00 19.45 17.19 1aek n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aek s SER 9 N 3.32 4.48 0.18 0.00 0.15 0.25 -4.68 113.70 117.40 1aek s SER 9 Ca 0.84 -1.65 -0.33 0.00 0.70 0.00 0.00 55.95 55.51 1aek s SER 9 Cb -0.46 -1.51 -0.13 0.00 -1.71 0.00 0.00 66.02 62.20 1aek s SER 9 CO 0.39 -0.27 1.63 0.52 1.20 0.00 0.00 173.24 176.71 1aek n VAL 10 N 4.41 0.00 -1.57 4.45 0.31 -1.26 -4.34 118.33 120.33 1aek n VAL 10 Ca -0.07 -0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.76 1aek n VAL 10 Cb 0.42 -1.71 -0.04 0.00 -0.91 0.00 0.00 33.84 31.60 1aek n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1aek n GLU 11 N 3.63 1.04 -1.67 5.55 4.71 -1.26 -4.69 120.64 127.94 1aek n GLU 11 Ca 0.17 0.37 -0.50 0.00 -0.01 0.00 0.00 57.16 57.19 1aek n GLU 11 Cb 0.31 -1.86 -0.05 0.00 -1.01 0.00 0.00 31.44 28.83 1aek n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1aek n LYS 12 N 1.76 1.97 -0.84 3.49 4.81 -1.26 -1.50 118.16 126.59 1aek n LYS 12 Ca 0.16 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 1aek n LYS 12 Cb 0.23 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.70 1aek n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aek n GLY 13 N 4.56 0.54 3.80 3.14 0.00 -1.26 -4.98 105.19 110.99 1aek n GLY 13 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1aek n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aek s ARG 14 N -0.47 4.04 0.05 1.61 1.81 -0.56 -5.08 118.95 120.34 1aek s ARG 14 Ca 0.00 1.33 0.01 0.00 -1.72 0.00 0.00 55.73 55.35 1aek s ARG 14 Cb 0.00 -2.26 -0.00 0.00 -0.45 0.00 0.00 34.95 32.24 1aek s ARG 14 CO 0.00 -0.22 0.04 -1.13 -0.68 0.00 0.00 175.30 173.30 1aek n SER 15 N -0.60 -0.01 -0.30 0.23 3.41 -1.26 -4.91 113.62 110.18 1aek n SER 15 Ca 0.07 -1.31 0.10 0.00 -0.26 0.00 0.00 58.87 57.47 1aek n SER 15 Cb 0.52 0.23 0.22 0.00 -0.26 0.00 0.00 64.21 64.92 1aek n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1aek h TYR 16 N 1.15 -0.04 -0.23 7.33 3.20 -2.00 -2.14 116.97 124.23 1aek h TYR 16 Ca -0.03 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1aek h TYR 16 Cb 0.17 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1aek h TYR 16 CO 0.00 -0.33 0.04 0.93 -1.64 0.00 0.00 178.16 177.16 1aek h GLU 17 N 0.07 0.33 -0.25 1.82 3.07 -1.99 -0.79 114.58 116.85 1aek h GLU 17 Ca 0.51 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.27 1aek h GLU 17 Cb 0.97 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1aek h GLU 17 CO -0.79 0.33 -0.02 -0.44 -1.40 0.00 0.00 179.01 176.69 1aek h ASP 18 N 0.33 0.45 0.30 1.42 3.32 -1.79 -1.87 116.42 118.58 1aek h ASP 18 Ca 0.08 -0.33 -0.16 0.00 0.02 0.00 0.00 57.03 56.64 1aek h ASP 18 Cb 0.17 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1aek h ASP 18 CO -0.00 0.68 -0.65 -0.26 -1.72 0.00 0.00 179.24 177.28 1aek h PHE 19 N 0.22 0.44 -0.06 4.55 0.04 -1.47 -2.21 116.94 118.44 1aek h PHE 19 Ca 0.07 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 1aek h PHE 19 Cb 0.46 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1aek h PHE 19 CO 0.04 0.89 -0.19 0.37 -0.60 0.00 0.00 178.31 178.82 1aek h GLN 20 N 0.24 0.09 -0.47 1.51 5.75 -1.08 0.13 115.11 121.29 1aek h GLN 20 Ca -0.01 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 1aek h GLN 20 Cb 1.19 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 1aek h GLN 20 CO 0.11 0.28 -0.09 0.87 -2.65 0.00 0.00 178.83 177.35 1aek h LYS 21 N 0.09 0.89 -0.23 1.69 1.57 -0.76 -0.84 116.57 118.98 1aek h LYS 21 Ca 0.02 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1aek h LYS 21 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1aek h LYS 21 CO 0.03 0.97 0.05 0.28 -0.57 0.00 0.00 179.45 180.20 1aek h VAL 22 N 0.73 1.22 -0.47 0.50 2.07 -0.85 -1.86 116.25 117.59 1aek h VAL 22 Ca 0.12 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1aek h VAL 22 Cb 0.63 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 1aek h VAL 22 CO 0.04 0.23 -0.51 0.22 0.02 0.00 0.00 177.57 177.57 1aek h TYR 23 N 0.19 -1.55 -0.79 1.57 5.03 -0.70 -1.94 116.97 118.79 1aek h TYR 23 Ca 0.07 0.08 0.07 0.00 2.58 0.00 0.00 58.73 61.54 1aek h TYR 23 Cb 0.30 0.74 -0.05 0.00 1.55 0.00 0.00 36.73 39.27 1aek h TYR 23 CO 0.02 -0.46 0.52 -0.91 -1.32 0.00 0.00 178.16 176.00 1aek h ASN 24 N -0.33 0.72 -0.10 -2.11 -0.26 -1.10 -0.08 115.58 112.33 1aek h ASN 24 Ca 0.11 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1aek h ASN 24 Cb 0.58 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1aek h ASN 24 CO -0.63 0.46 0.05 0.00 -1.06 0.00 0.00 177.43 176.25 1aek h ALA 25 N 1.58 0.12 -0.11 -0.83 0.00 -0.73 0.45 119.26 119.75 1aek h ALA 25 Ca 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1aek h ALA 25 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1aek h ALA 25 CO -0.13 -0.34 0.02 0.82 0.00 0.00 0.00 179.25 179.62 1aek h ILE 26 N 0.07 0.95 -0.52 0.00 2.04 -0.86 -1.73 117.51 117.46 1aek h ILE 26 Ca 0.03 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1aek h ILE 26 Cb 0.07 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1aek h ILE 26 CO -0.01 0.01 0.25 0.00 0.00 0.00 0.00 178.15 178.41 1aek h ALA 27 N 1.08 1.48 -0.37 1.87 0.00 -0.86 0.49 119.26 122.94 1aek h ALA 27 Ca 0.05 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1aek h ALA 27 Cb 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1aek h ALA 27 CO -0.07 0.42 -0.40 -0.07 0.00 0.00 0.00 179.25 179.14 1aek h LEU 28 N 0.72 0.99 -0.74 0.00 4.07 -0.78 -2.80 115.31 116.77 1aek h LEU 28 Ca 0.18 -0.48 -0.13 0.00 0.08 0.00 0.00 57.88 57.54 1aek h LEU 28 Cb 0.07 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1aek h LEU 28 CO -0.03 1.26 -0.61 0.50 -1.08 0.00 0.00 178.44 178.49 1aek h LYS 29 N 0.73 0.00 -0.54 1.13 3.64 -0.66 -1.73 116.57 119.14 1aek h LYS 29 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1aek h LYS 29 Cb 1.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1aek h LYS 29 CO 0.10 0.61 0.30 -0.07 -2.27 0.00 0.00 179.45 178.11 1aek h LEU 30 N 0.00 0.66 -0.14 5.20 3.38 -0.84 0.64 115.31 124.21 1aek h LEU 30 Ca -0.01 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 1aek h LEU 30 Cb 1.11 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.70 1aek h LEU 30 CO 0.08 0.53 -0.77 -0.09 0.09 0.00 0.00 178.44 178.28 1aek h ARG 31 N 0.75 0.76 0.13 1.13 2.43 -1.28 -3.37 114.38 114.93 1aek h ARG 31 Ca 0.19 -0.64 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1aek h ARG 31 Cb 0.02 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1aek h ARG 31 CO -0.03 1.25 -0.06 1.49 -1.51 0.00 0.00 179.97 181.10 1aek h GLU 32 N 0.49 -0.17 -2.77 0.20 4.81 -0.97 -3.34 114.58 112.83 1aek h GLU 32 Ca -0.06 0.01 -0.71 0.00 -0.13 0.00 0.00 59.36 58.47 1aek h GLU 32 Cb 1.41 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.76 1aek h GLU 32 CO 0.16 0.28 2.99 -0.25 -0.73 0.00 0.00 179.01 181.45 1aek n ASP 33 N -4.93 8.34 0.12 1.04 9.92 0.19 -4.71 116.55 126.52 1aek n ASP 33 Ca -0.08 -2.92 0.13 0.00 -0.53 0.00 0.00 54.79 51.39 1aek n ASP 33 Cb 0.26 -1.44 0.41 0.00 -0.64 0.00 0.00 41.12 39.72 1aek n ASP 33 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1aek h ASP 34 N 4.75 0.00 1.54 -2.24 2.03 -1.73 -3.33 116.42 117.43 1aek h ASP 34 Ca 0.77 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 57.03 1aek h ASP 34 Cb 0.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.79 1aek h ASP 34 CO 1.60 0.00 -0.20 1.05 -1.03 0.00 0.00 179.24 180.66 1aek h GLU 35 N 0.00 0.00 -6.21 4.15 9.09 -1.90 -3.33 114.58 116.37 1aek h GLU 35 Ca 0.00 0.00 -0.69 0.00 0.05 0.00 0.00 59.36 58.72 1aek h GLU 35 Cb 0.69 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 27.86 1aek h GLU 35 CO 0.00 0.20 0.17 0.98 0.05 0.00 0.00 179.01 180.41 1aek n TYR 36 N -3.19 1.00 -3.60 2.06 9.36 -1.25 -1.73 117.16 119.81 1aek n TYR 36 Ca 0.02 0.79 -0.25 0.00 3.32 0.00 0.00 57.90 61.78 1aek n TYR 36 Cb 0.55 -2.21 0.04 0.00 -0.63 0.00 0.00 39.34 37.10 1aek n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1aek n ASP 37 N 1.99 -4.37 -3.93 2.98 2.03 -1.26 -1.23 116.55 112.76 1aek n ASP 37 Ca 0.17 -0.89 -0.32 0.00 0.52 0.00 0.00 54.79 54.26 1aek n ASP 37 Cb 0.20 -3.97 0.00 0.00 -0.72 0.00 0.00 41.12 36.63 1aek n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1aek n ASN 38 N -2.91 -2.60 -1.11 1.67 4.13 -1.19 -1.92 115.26 111.33 1aek n ASN 38 Ca -0.15 -1.10 -0.14 0.00 1.68 0.00 0.00 54.58 54.86 1aek n ASN 38 Cb 0.62 -2.71 -0.06 0.00 -1.54 0.00 0.00 39.78 36.09 1aek n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1aek n TYR 39 N -4.49 0.00 0.01 3.10 4.01 -0.70 -4.88 117.16 114.20 1aek n TYR 39 Ca -0.20 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.44 1aek n TYR 39 Cb 0.63 -2.71 0.03 0.00 -0.31 0.00 0.00 39.34 36.99 1aek n TYR 39 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1aek h ILE 40 N 0.00 1.32 0.00 -0.72 2.04 -0.96 -3.47 117.51 115.72 1aek h ILE 40 Ca -0.30 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.70 1aek h ILE 40 Cb 1.04 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1aek h ILE 40 CO 0.43 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.77 1aek n GLY 41 N 0.35 -0.90 0.02 5.37 0.00 -0.36 -4.71 105.19 104.96 1aek n GLY 41 Ca -0.04 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.43 1aek n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aek n TYR 42 N -0.96 0.15 0.09 1.61 4.01 -1.26 -4.41 117.16 116.39 1aek n TYR 42 Ca 0.00 0.05 -0.13 0.00 -0.16 0.00 0.00 57.90 57.66 1aek n TYR 42 Cb 0.00 -0.58 -0.06 0.00 -0.31 0.00 0.00 39.34 38.39 1aek n TYR 42 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1aek h GLY 43 N 4.22 -0.65 0.62 2.72 0.00 -1.93 -2.43 103.07 105.63 1aek h GLY 43 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.79 1aek h GLY 43 CO 0.00 -0.25 0.01 -2.55 0.00 0.00 0.00 176.54 173.75 1aek h PRO 44 N -0.55 0.09 0.00 4.80 0.11 -1.90 -1.36 132.00 133.19 1aek h PRO 44 Ca 0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1aek h PRO 44 Cb 0.60 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 1aek h PRO 44 CO -0.24 0.06 -0.07 -0.24 -0.21 0.00 0.00 178.00 177.31 1aek h VAL 45 N 0.10 0.91 -0.04 3.15 3.04 -1.83 -1.03 116.25 120.55 1aek h VAL 45 Ca 0.12 -0.24 -0.20 0.00 -1.01 0.00 0.00 66.70 65.37 1aek h VAL 45 Cb 0.15 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1aek h VAL 45 CO -0.20 0.06 -0.83 -0.07 -1.01 0.00 0.00 177.57 175.52 1aek h LEU 46 N 0.00 0.51 -0.64 3.16 3.38 -0.80 -0.29 115.31 120.64 1aek h LEU 46 Ca -0.00 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.49 1aek h LEU 46 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1aek h LEU 46 CO 0.01 1.14 -0.51 -0.37 0.09 0.00 0.00 178.44 178.80 1aek h VAL 47 N 0.25 1.06 -0.61 1.22 -1.51 -0.40 -2.47 116.25 113.80 1aek h VAL 47 Ca -0.05 -1.95 -0.09 0.00 -1.23 0.00 0.00 66.70 63.37 1aek h VAL 47 Cb 1.44 2.15 -0.02 0.00 -2.13 0.00 0.00 31.29 32.73 1aek h VAL 47 CO 0.14 0.50 0.01 -0.09 -1.23 0.00 0.00 177.57 176.90 1aek h ARG 48 N 0.00 1.06 -0.43 5.19 2.43 -1.10 -1.67 114.38 119.86 1aek h ARG 48 Ca -0.01 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1aek h ARG 48 Cb 1.11 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1aek h ARG 48 CO 0.07 1.03 0.23 1.25 -1.51 0.00 0.00 179.97 181.04 1aek h LEU 49 N 0.97 0.55 -1.17 3.80 5.85 -0.96 -0.68 115.31 123.67 1aek h LEU 49 Ca 0.17 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1aek h LEU 49 Cb 0.55 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1aek h LEU 49 CO 0.03 0.48 -0.01 0.00 -0.34 0.00 0.00 178.44 178.61 1aek h ALA 50 N 1.08 1.32 -0.17 1.25 0.00 -1.20 -1.81 119.26 119.74 1aek h ALA 50 Ca 0.15 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1aek h ALA 50 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1aek h ALA 50 CO -0.02 0.46 -0.16 2.35 0.00 0.00 0.00 179.25 181.87 1aek h TRP 51 N 0.54 0.49 -0.04 0.00 2.91 -1.02 -3.03 115.95 115.79 1aek h TRP 51 Ca 0.11 -0.15 -0.09 0.00 1.13 0.00 0.00 58.89 59.90 1aek h TRP 51 Cb 0.36 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 1aek h TRP 51 CO 0.01 0.78 -0.39 0.45 -1.03 0.00 0.00 178.44 178.27 1aek h HIS 52 N 0.06 0.11 0.00 2.65 3.86 -0.89 0.25 115.15 121.19 1aek h HIS 52 Ca 0.03 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1aek h HIS 52 Cb 0.70 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1aek h HIS 52 CO 0.08 0.47 -0.29 -0.84 0.86 0.00 0.00 177.93 178.22 1aek h ILE 53 N 0.08 0.61 0.02 2.45 -0.00 -1.41 -3.25 117.51 116.01 1aek h ILE 53 Ca 0.01 -1.41 -0.28 0.00 -0.00 0.00 0.00 64.86 63.18 1aek h ILE 53 Cb 0.73 1.96 -0.04 0.00 -0.00 0.00 0.00 36.82 39.47 1aek h ILE 53 CO 0.05 0.28 -1.55 0.28 -0.00 0.00 0.00 178.15 177.22 1aek h SER 54 N 0.00 0.07 0.38 2.16 0.02 -1.32 -3.12 113.55 111.73 1aek h SER 54 Ca -0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1aek h SER 54 Cb 0.93 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1aek h SER 54 CO 0.04 1.10 0.00 0.61 -1.14 0.00 0.00 176.83 177.44 1aek n GLY 55 N 1.55 -0.88 0.00 -3.77 0.00 0.84 -2.11 105.19 100.82 1aek n GLY 55 Ca -0.14 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1aek n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aek n THR 56 N -1.49 0.04 -1.99 2.61 -2.24 -1.25 -4.66 114.28 105.30 1aek n THR 56 Ca 0.03 0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 1aek n THR 56 Cb 0.13 -0.53 0.01 0.00 -2.10 0.00 0.00 70.33 67.85 1aek n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1aek s TRP 57 N -2.47 2.60 -0.21 4.78 -0.00 -0.90 -4.03 118.94 118.71 1aek s TRP 57 Ca 0.31 1.42 0.01 0.00 -0.00 0.00 0.00 56.10 57.83 1aek s TRP 57 Cb 0.20 -3.66 0.05 0.00 -0.00 0.00 0.00 33.47 30.05 1aek s TRP 57 CO 0.43 -2.31 -0.08 0.34 -0.00 0.00 0.00 176.95 175.33 1aek s ASP 58 N -0.97 3.52 0.65 5.86 -1.08 -0.25 -4.56 116.67 119.85 1aek s ASP 58 Ca 0.64 -0.97 0.33 0.00 -0.52 0.00 0.00 52.55 52.03 1aek s ASP 58 Cb -0.37 -1.20 1.79 0.00 -1.46 0.00 0.00 42.92 41.68 1aek s ASP 58 CO 0.45 -0.18 2.03 0.07 0.52 0.00 0.00 175.17 178.07 1aek h LYS 59 N 7.97 0.00 0.02 4.34 2.10 -1.70 -1.11 116.57 128.19 1aek h LYS 59 Ca -0.24 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.15 1aek h LYS 59 Cb 1.09 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.43 1aek h LYS 59 CO 0.45 0.00 -1.04 0.45 -2.00 0.00 0.00 179.45 177.31 1aek h HIS 60 N 0.00 0.89 0.00 0.07 3.86 -1.95 -3.37 115.15 114.66 1aek h HIS 60 Ca 0.03 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1aek h HIS 60 Cb 0.55 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1aek h HIS 60 CO 0.00 1.33 0.00 -0.40 0.86 0.00 0.00 177.93 179.72 1aek n ASP 61 N -3.81 1.39 -2.13 2.45 5.68 -1.09 -5.01 116.55 114.04 1aek n ASP 61 Ca -0.10 -1.67 -0.14 0.00 -0.50 0.00 0.00 54.79 52.38 1aek n ASP 61 Cb 0.88 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.84 1aek n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1aek n ASN 62 N -0.34 -4.08 -4.91 -1.12 5.15 -0.44 -4.08 115.26 105.44 1aek n ASN 62 Ca 0.00 0.21 -0.27 0.00 -0.60 0.00 0.00 54.58 53.92 1aek n ASN 62 Cb 0.30 -3.54 0.02 0.00 -0.53 0.00 0.00 39.78 36.03 1aek n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1aek s THR 63 N -2.54 4.13 0.00 -0.44 -4.23 -1.25 -4.88 115.64 106.44 1aek s THR 63 Ca 0.00 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1aek s THR 63 Cb 0.00 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1aek s THR 63 CO 0.00 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 1aek n GLY 64 N -2.50 -0.24 0.00 3.99 0.00 -1.26 -1.09 105.19 104.09 1aek n GLY 64 Ca 0.03 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1aek n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aek n GLY 65 N 0.00 -0.41 0.25 -0.02 0.00 -1.26 -4.65 105.19 99.10 1aek n GLY 65 Ca 0.00 -1.73 0.14 0.00 0.00 0.00 0.00 46.02 44.43 1aek n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aek h SER 66 N 0.00 0.00 -0.60 1.61 4.64 -1.76 -3.38 113.55 114.06 1aek h SER 66 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1aek h SER 66 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1aek h SER 66 CO 0.00 0.04 -0.32 0.22 -0.87 0.00 0.00 176.83 175.90 1aek h TYR 67 N 0.00 -0.88 0.00 4.77 3.20 -1.86 -3.06 116.97 119.15 1aek h TYR 67 Ca -0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1aek h TYR 67 Cb 0.72 0.47 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1aek h TYR 67 CO 0.00 -0.38 -0.04 0.41 -1.64 0.00 0.00 178.16 176.52 1aek n GLY 68 N -1.44 -1.56 2.39 1.82 0.00 -1.26 -2.92 105.19 102.23 1aek n GLY 68 Ca 0.05 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1aek n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aek n GLY 69 N 1.43 -0.27 0.00 -0.02 0.00 -1.15 -2.28 105.19 102.90 1aek n GLY 69 Ca 0.06 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1aek n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aek n THR 70 N -3.89 0.56 0.31 2.61 -2.24 -1.26 -2.65 114.28 107.72 1aek n THR 70 Ca -0.23 0.14 0.19 0.00 -2.27 0.00 0.00 64.05 61.87 1aek n THR 70 Cb 0.68 -0.84 1.03 0.00 -2.10 0.00 0.00 70.33 69.10 1aek n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1aek h TYR 71 N 0.00 0.00 0.00 4.78 3.20 -1.93 -0.99 116.97 122.03 1aek h TYR 71 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aek h TYR 71 Cb 0.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1aek h TYR 71 CO 0.00 0.01 0.00 0.07 -1.64 0.00 0.00 178.16 176.60 1aek h ARG 72 N 0.00 0.00 -6.34 1.82 0.11 -1.91 -3.29 114.38 104.77 1aek h ARG 72 Ca -0.00 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.52 1aek h ARG 72 Cb 0.06 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.10 1aek h ARG 72 CO 0.00 0.00 0.01 -0.06 0.10 0.00 0.00 179.97 180.02 1aek s PHE 73 N -3.63 3.77 0.30 4.08 0.08 -0.38 -4.93 117.98 117.28 1aek s PHE 73 Ca -0.00 1.32 0.03 0.00 0.12 0.00 0.00 56.93 58.40 1aek s PHE 73 Cb 0.09 -2.54 0.76 0.00 -0.57 0.00 0.00 43.02 40.76 1aek s PHE 73 CO 0.37 0.52 1.63 0.87 -0.10 0.00 0.00 175.22 178.51 1aek h LYS 74 N 4.19 0.17 -0.12 0.44 6.56 -1.87 -0.86 116.57 125.09 1aek h LYS 74 Ca -0.49 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.13 1aek h LYS 74 Cb 1.21 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.79 1aek h LYS 74 CO 0.64 0.11 -0.10 -0.22 -2.06 0.00 0.00 179.45 177.83 1aek h LYS 75 N 0.18 -0.11 0.04 3.15 3.64 -1.94 0.14 116.57 121.66 1aek h LYS 75 Ca 0.58 0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.72 1aek h LYS 75 Cb 1.20 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1aek h LYS 75 CO -0.69 -0.07 -1.04 1.49 -2.27 0.00 0.00 179.45 176.87 1aek h GLU 76 N -0.11 0.43 -0.31 1.90 4.81 -1.64 -2.76 114.58 116.89 1aek h GLU 76 Ca 0.08 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1aek h GLU 76 Cb 0.23 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1aek h GLU 76 CO -0.19 1.17 0.04 0.35 -0.73 0.00 0.00 179.01 179.66 1aek h PHE 77 N 0.22 0.47 -0.50 0.92 3.57 -0.93 -2.61 116.94 118.08 1aek h PHE 77 Ca -0.10 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1aek h PHE 77 Cb 1.69 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1aek h PHE 77 CO 0.07 0.44 0.00 0.09 -2.23 0.00 0.00 178.31 176.68 1aek n ASN 78 N -4.34 2.94 -4.68 0.41 5.03 0.46 -4.85 115.26 110.24 1aek n ASN 78 Ca 0.01 -1.97 -0.46 0.00 0.87 0.00 0.00 54.58 53.04 1aek n ASN 78 Cb 0.20 -0.33 -0.04 0.00 -1.02 0.00 0.00 39.78 38.59 1aek n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1aek n ASP 79 N 1.11 3.30 -0.06 6.41 -0.08 -0.99 -4.86 116.55 121.38 1aek n ASP 79 Ca 0.19 1.06 0.16 0.00 -1.51 0.00 0.00 54.79 54.68 1aek n ASP 79 Cb 0.48 -1.44 0.57 0.00 2.34 0.00 0.00 41.12 43.07 1aek n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1aek h PRO 80 N 6.65 0.24 0.00 -0.67 0.11 -1.91 -0.74 132.00 135.67 1aek h PRO 80 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1aek h PRO 80 Cb 1.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1aek h PRO 80 CO 0.91 0.16 -0.05 0.77 -0.21 0.00 0.00 178.00 179.57 1aek h SER 81 N 0.25 0.00 -0.34 -2.05 0.02 -1.94 -2.51 113.55 106.98 1aek h SER 81 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1aek h SER 81 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1aek h SER 81 CO -0.06 0.05 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 1aek n ASN 82 N -3.33 2.66 -4.65 3.07 3.02 -0.29 -4.98 115.26 110.77 1aek n ASN 82 Ca -0.01 -1.89 -0.48 0.00 -0.03 0.00 0.00 54.58 52.16 1aek n ASN 82 Cb 0.21 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1aek n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aek n ALA 83 N 0.96 0.66 0.00 5.41 0.00 -0.95 -0.79 120.51 125.81 1aek n ALA 83 Ca 0.18 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1aek n ALA 83 Cb 0.47 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1aek n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aek n GLY 84 N 3.27 3.37 0.04 0.00 0.00 -1.26 -4.86 105.19 105.75 1aek n GLY 84 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1aek n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aek n LEU 85 N 0.00 0.23 0.09 0.99 4.77 0.03 -2.79 117.00 120.32 1aek n LEU 85 Ca 0.00 0.54 0.15 0.00 -0.03 0.00 0.00 56.01 56.67 1aek n LEU 85 Cb 0.00 -0.49 0.65 0.00 -2.33 0.00 0.00 43.42 41.25 1aek n LEU 85 CO 0.00 -0.23 1.14 1.56 -1.33 0.00 0.00 177.39 178.53 1aek h GLN 86 N 0.00 0.04 -0.23 3.23 7.50 -1.91 -0.05 115.11 123.68 1aek h GLN 86 Ca 0.00 -0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.06 1aek h GLN 86 Cb 0.41 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 1aek h GLN 86 CO 0.00 0.02 -0.22 -0.91 -1.50 0.00 0.00 178.83 176.22 1aek h ASN 87 N 0.04 0.42 -0.16 1.46 2.35 -1.92 -1.16 115.58 116.60 1aek h ASN 87 Ca 0.16 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.60 1aek h ASN 87 Cb 0.58 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.84 1aek h ASN 87 CO -0.01 0.65 -0.60 1.23 -1.65 0.00 0.00 177.43 177.04 1aek h GLY 88 N 0.98 0.77 0.58 2.83 0.00 -1.23 -2.86 103.07 104.14 1aek h GLY 88 Ca 0.06 -1.03 0.04 0.00 0.00 0.00 0.00 47.33 46.40 1aek h GLY 88 CO 0.04 0.92 -0.09 -2.75 0.00 0.00 0.00 176.54 174.66 1aek h PHE 89 N 0.39 -0.23 -0.08 5.60 3.57 -1.16 -1.80 116.94 123.24 1aek h PHE 89 Ca -0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1aek h PHE 89 Cb 1.23 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1aek h PHE 89 CO 0.09 -0.14 -0.06 0.87 -2.23 0.00 0.00 178.31 176.84 1aek h LYS 90 N -0.10 0.11 -0.35 1.11 1.57 -1.32 -0.43 116.57 117.16 1aek h LYS 90 Ca 0.09 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1aek h LYS 90 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1aek h LYS 90 CO -0.20 0.18 0.08 0.35 -0.57 0.00 0.00 179.45 179.29 1aek h PHE 91 N 0.11 0.60 0.00 -1.35 3.04 -1.19 -3.20 116.94 114.94 1aek h PHE 91 Ca 0.03 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1aek h PHE 91 Cb 0.18 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.52 1aek h PHE 91 CO 0.00 0.60 -0.09 -0.07 -2.02 0.00 0.00 178.31 176.74 1aek h LEU 92 N 0.42 0.00 -0.29 0.59 3.38 -0.78 -3.38 115.31 115.25 1aek h LEU 92 Ca 0.11 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1aek h LEU 92 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1aek h LEU 92 CO 0.00 0.09 0.15 -0.08 0.09 0.00 0.00 178.44 178.69 1aek h GLU 93 N 0.00 0.31 -0.93 1.13 4.81 -1.09 -1.60 114.58 117.21 1aek h GLU 93 Ca -0.00 -0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.46 1aek h GLU 93 Cb 0.89 -0.07 -0.17 0.00 0.63 0.00 0.00 28.75 30.04 1aek h GLU 93 CO 0.01 0.20 0.08 -1.35 -0.73 0.00 0.00 179.01 177.23 1aek h PRO 94 N 0.32 0.06 -0.05 0.92 0.10 -1.75 -1.93 132.00 129.67 1aek h PRO 94 Ca 0.12 -0.00 -0.12 0.00 0.10 0.00 0.00 66.00 66.10 1aek h PRO 94 Cb 0.02 -0.01 -0.01 0.00 0.10 0.00 0.00 31.00 31.10 1aek h PRO 94 CO -0.07 0.04 -0.50 0.82 0.10 0.00 0.00 178.00 178.39 1aek h ILE 95 N 0.06 1.35 -0.11 4.15 2.04 -1.54 -2.16 117.51 121.31 1aek h ILE 95 Ca 0.57 -1.73 -0.17 0.00 1.00 0.00 0.00 64.86 64.53 1aek h ILE 95 Cb 1.16 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1aek h ILE 95 CO -0.83 0.51 -0.64 -0.74 0.00 0.00 0.00 178.15 176.44 1aek h HIS 96 N 0.11 0.53 -0.85 1.37 2.76 -0.81 -0.43 115.15 117.83 1aek h HIS 96 Ca 0.00 -0.21 -0.02 0.00 -2.20 0.00 0.00 60.37 57.94 1aek h HIS 96 Cb 0.93 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.75 1aek h HIS 96 CO 0.01 0.94 0.47 0.87 -1.30 0.00 0.00 177.93 178.92 1aek h LYS 97 N 0.29 1.18 -0.13 5.26 1.79 -1.17 -2.70 116.57 121.10 1aek h LYS 97 Ca -0.01 -0.14 -0.14 0.00 -2.18 0.00 0.00 60.65 58.18 1aek h LYS 97 Cb 1.19 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.60 1aek h LYS 97 CO 0.11 0.87 -0.53 1.49 -1.08 0.00 0.00 179.45 180.31 1aek h GLU 98 N 1.18 0.36 -2.51 3.15 4.81 -1.07 -3.37 114.58 117.14 1aek h GLU 98 Ca 0.30 -0.22 -0.60 0.00 -0.13 0.00 0.00 59.36 58.71 1aek h GLU 98 Cb 0.02 0.02 -0.41 0.00 0.63 0.00 0.00 28.75 29.01 1aek h GLU 98 CO -0.05 0.80 -0.67 1.19 -0.73 0.00 0.00 179.01 179.55 1aek n PHE 99 N -3.94 2.67 0.48 0.92 3.72 -0.20 -4.95 117.46 116.16 1aek n PHE 99 Ca -0.02 -4.07 0.11 0.00 -0.05 0.00 0.00 57.45 53.42 1aek n PHE 99 Cb 0.58 -0.49 0.45 0.00 -0.94 0.00 0.00 39.48 39.08 1aek n PHE 99 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1aek n PRO 100 N 1.49 0.17 0.21 -1.08 -0.04 -1.03 -2.44 135.00 132.27 1aek n PRO 100 Ca 0.25 0.34 0.08 0.00 -0.04 0.00 0.00 63.50 64.13 1aek n PRO 100 Cb 0.41 -1.78 0.41 0.00 -0.04 0.00 0.00 33.50 32.49 1aek n PRO 100 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1aek h TRP 101 N 0.00 0.00 -3.68 0.54 5.08 -1.92 -3.45 115.95 112.52 1aek h TRP 101 Ca 0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 1aek h TRP 101 Cb 0.42 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.59 1aek h TRP 101 CO 0.00 0.29 0.49 -1.50 -1.28 0.00 0.00 178.44 176.44 1aek s ILE 102 N -3.66 3.60 0.78 0.12 2.07 -1.02 -4.94 121.20 118.14 1aek s ILE 102 Ca 0.00 1.48 -0.12 0.00 -1.41 0.00 0.00 60.65 60.61 1aek s ILE 102 Cb 0.11 -3.95 0.06 0.00 0.13 0.00 0.00 42.46 38.82 1aek s ILE 102 CO 0.66 0.30 1.12 -0.94 -1.91 0.00 0.00 174.94 174.17 1aek s SER 103 N -0.46 4.24 0.10 4.50 1.04 -1.26 -4.88 113.70 116.99 1aek s SER 103 Ca 0.48 1.98 -0.20 0.00 0.48 0.00 0.00 55.95 58.69 1aek s SER 103 Cb -0.31 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.18 1aek s SER 103 CO 0.39 -2.22 1.70 0.28 0.98 0.00 0.00 173.24 174.37 1aek h SER 104 N -1.01 0.24 -0.80 7.02 0.02 -1.91 -1.10 113.55 116.02 1aek h SER 104 Ca -0.44 -0.09 0.11 0.00 -0.84 0.00 0.00 61.79 60.52 1aek h SER 104 Cb 1.25 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.65 1aek h SER 104 CO 0.50 0.26 0.42 1.23 -1.14 0.00 0.00 176.83 178.10 1aek h GLY 105 N 0.19 1.25 0.93 -3.77 0.00 -1.79 -0.80 103.07 99.08 1aek h GLY 105 Ca 0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1aek h GLY 105 CO -0.01 0.06 0.01 -0.55 0.00 0.00 0.00 176.54 176.04 1aek h ASP 106 N 0.68 0.66 -0.26 0.19 5.19 -1.80 -0.65 116.42 120.42 1aek h ASP 106 Ca 0.40 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1aek h ASP 106 Cb 0.45 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1aek h ASP 106 CO -0.29 0.80 0.02 0.25 -3.12 0.00 0.00 179.24 176.89 1aek h LEU 107 N 0.49 0.44 -0.65 1.55 5.85 -0.41 -1.07 115.31 121.52 1aek h LEU 107 Ca 0.11 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1aek h LEU 107 Cb 0.46 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1aek h LEU 107 CO 0.02 0.63 0.32 -0.26 -0.34 0.00 0.00 178.44 178.81 1aek h PHE 108 N 0.25 0.92 -0.19 1.25 0.04 -1.20 -1.34 116.94 116.66 1aek h PHE 108 Ca 0.08 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.65 1aek h PHE 108 Cb 0.39 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1aek h PHE 108 CO 0.03 0.69 -0.54 0.66 -0.60 0.00 0.00 178.31 178.54 1aek h SER 109 N 0.89 0.64 0.25 2.17 4.64 -1.07 -3.14 113.55 117.93 1aek h SER 109 Ca 0.22 -0.34 -0.10 0.00 -0.47 0.00 0.00 61.79 61.11 1aek h SER 109 Cb 0.10 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1aek h SER 109 CO -0.03 1.05 -0.38 0.25 -0.87 0.00 0.00 176.83 176.85 1aek h LEU 110 N 0.44 0.18 -0.79 5.97 5.85 -1.11 -2.20 115.31 123.65 1aek h LEU 110 Ca 0.01 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1aek h LEU 110 Cb 1.09 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1aek h LEU 110 CO 0.10 0.55 0.48 1.23 -0.34 0.00 0.00 178.44 180.47 1aek h GLY 111 N 1.17 1.19 0.93 3.75 0.00 -1.20 0.11 103.07 109.03 1aek h GLY 111 Ca 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1aek h GLY 111 CO 0.06 0.23 0.08 -1.33 0.00 0.00 0.00 176.54 175.57 1aek h GLY 112 N 0.87 0.69 1.01 4.60 0.00 -1.46 -1.50 103.07 107.28 1aek h GLY 112 Ca 0.35 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.24 1aek h GLY 112 CO -0.17 0.42 0.41 -2.08 0.00 0.00 0.00 176.54 175.11 1aek h VAL 113 N 0.49 1.16 -0.36 4.60 2.07 -0.99 -2.68 116.25 120.54 1aek h VAL 113 Ca 0.12 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1aek h VAL 113 Cb 0.34 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1aek h VAL 113 CO 0.00 0.15 0.03 0.74 0.02 0.00 0.00 177.57 178.52 1aek h THR 114 N 0.84 1.25 -0.38 2.57 2.02 -0.72 -2.45 112.91 116.05 1aek h THR 114 Ca 0.23 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1aek h THR 114 Cb -0.10 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1aek h THR 114 CO -0.05 0.31 0.20 0.00 0.37 0.00 0.00 175.52 176.35 1aek h ALA 115 N 0.88 0.47 0.07 6.16 0.00 -1.22 -0.13 119.26 125.49 1aek h ALA 115 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1aek h ALA 115 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1aek h ALA 115 CO 0.01 -0.15 -0.03 0.28 0.00 0.00 0.00 179.25 179.36 1aek h VAL 116 N 0.41 0.97 -0.64 0.00 2.07 -1.41 -0.19 116.25 117.46 1aek h VAL 116 Ca 0.16 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 1aek h VAL 116 Cb 0.05 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1aek h VAL 116 CO -0.10 0.03 0.10 1.56 0.02 0.00 0.00 177.57 179.18 1aek h GLN 117 N -0.14 1.07 0.00 1.57 4.20 -1.40 0.12 115.11 120.53 1aek h GLN 117 Ca -0.01 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.35 1aek h GLN 117 Cb 0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1aek h GLN 117 CO 0.01 0.99 -0.27 0.93 -0.67 0.00 0.00 178.83 179.83 1aek h GLU 118 N 0.98 0.00 -0.92 1.46 4.39 -0.90 -2.23 114.58 117.36 1aek h GLU 118 Ca 0.19 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.79 1aek h GLU 118 Cb 0.45 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.04 1aek h GLU 118 CO 0.01 0.27 0.13 -1.33 -1.16 0.00 0.00 179.01 176.93 1aek n MET 119 N -3.58 2.04 -3.49 2.33 2.81 -0.09 -4.88 117.12 112.26 1aek n MET 119 Ca -0.01 -1.24 -0.26 0.00 -1.81 0.00 0.00 57.70 54.39 1aek n MET 119 Cb 0.40 -1.64 0.01 0.00 -0.71 0.00 0.00 33.22 31.28 1aek n MET 119 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1aek n GLN 120 N 0.05 -4.25 -0.84 0.03 0.00 -0.84 -0.37 117.38 111.16 1aek n GLN 120 Ca 0.18 0.58 -0.16 0.00 0.00 0.00 0.00 57.00 57.60 1aek n GLN 120 Cb 0.80 -5.37 0.12 0.00 0.00 0.00 0.00 30.24 25.79 1aek n GLN 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1aek n GLY 121 N -1.39 -1.81 3.77 2.61 0.00 0.41 -4.73 105.19 104.05 1aek n GLY 121 Ca -0.01 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1aek n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aek s PRO 122 N -4.45 2.53 0.26 1.61 0.04 -1.26 -4.67 135.00 129.06 1aek s PRO 122 Ca 0.39 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 1aek s PRO 122 Cb -0.02 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1aek s PRO 122 CO 0.28 -1.44 1.53 0.15 0.04 0.00 0.00 177.00 177.57 1aek s LYS 123 N -4.60 4.19 -0.36 4.56 -0.14 -1.26 -4.38 119.74 117.75 1aek s LYS 123 Ca 0.63 2.45 -0.07 0.00 -1.36 0.00 0.00 55.97 57.62 1aek s LYS 123 Cb -0.18 -3.07 0.05 0.00 -1.68 0.00 0.00 37.83 32.95 1aek s LYS 123 CO 0.50 -0.55 0.14 0.42 -0.76 0.00 0.00 175.35 175.10 1aek s ILE 124 N 0.14 3.83 0.04 2.17 -1.09 -1.26 -4.87 121.20 120.16 1aek s ILE 124 Ca 0.63 -1.23 -0.38 0.00 -2.23 0.00 0.00 60.65 57.44 1aek s ILE 124 Cb -0.45 -3.23 -0.17 0.00 -1.58 0.00 0.00 42.46 37.03 1aek s ILE 124 CO 0.44 -0.27 1.33 -2.65 -1.23 0.00 0.00 174.94 172.56 1aek n PRO 125 N 4.82 0.94 -4.57 2.79 -0.02 -1.26 -4.78 135.00 132.91 1aek n PRO 125 Ca -0.11 0.34 -0.22 0.00 -2.02 0.00 0.00 63.50 61.49 1aek n PRO 125 Cb 0.44 -1.96 -0.15 0.00 -0.02 0.00 0.00 33.50 31.82 1aek n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1aek s TRP 126 N 0.64 1.24 -0.06 6.00 -0.00 -0.62 -4.80 118.94 121.34 1aek s TRP 126 Ca 0.87 -0.26 0.05 0.00 -0.00 0.00 0.00 56.10 56.76 1aek s TRP 126 Cb -1.02 -0.79 -0.02 0.00 -0.00 0.00 0.00 33.47 31.64 1aek s TRP 126 CO 0.50 -0.01 -0.21 1.03 -0.00 0.00 0.00 176.95 178.27 1aek s ARG 127 N -0.51 2.54 0.57 5.86 0.52 -1.26 -0.05 118.95 126.62 1aek s ARG 127 Ca 0.05 -0.83 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 1aek s ARG 127 Cb -0.06 -2.25 0.01 0.00 0.52 0.00 0.00 34.95 33.17 1aek s ARG 127 CO -0.00 0.47 0.86 0.00 0.02 0.00 0.00 175.30 176.65 1aek n GLY 129 N -2.51 0.78 3.76 0.00 0.00 -1.26 -4.72 105.19 101.23 1aek n GLY 129 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1aek n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aek s ARG 130 N 0.00 3.33 -0.09 1.61 0.52 -1.26 -0.58 118.95 122.48 1aek s ARG 130 Ca 0.00 2.05 0.02 0.00 -0.52 0.00 0.00 55.73 57.28 1aek s ARG 130 Cb 0.00 -2.28 0.01 0.00 0.52 0.00 0.00 34.95 33.20 1aek s ARG 130 CO 0.00 -0.98 -0.16 0.08 0.02 0.00 0.00 175.30 174.27 1aek s VAL 131 N -1.40 1.44 0.31 3.52 1.01 -1.15 -4.67 120.40 119.46 1aek s VAL 131 Ca 0.69 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1aek s VAL 131 Cb -0.36 -1.30 -0.11 0.00 0.00 0.00 0.00 36.38 34.61 1aek s VAL 131 CO 0.42 0.43 1.60 -1.81 0.00 0.00 0.00 175.10 175.73 1aek s ASP 132 N 0.71 6.34 0.32 3.32 1.11 -1.26 -4.11 116.67 123.11 1aek s ASP 132 Ca -0.13 2.99 0.10 0.00 0.18 0.00 0.00 52.55 55.69 1aek s ASP 132 Cb -0.16 -2.64 -0.06 0.00 1.07 0.00 0.00 42.92 41.13 1aek s ASP 132 CO 0.03 -0.93 -0.09 0.42 1.18 0.00 0.00 175.17 175.78 1aek s THR 133 N -0.14 2.45 0.75 -1.27 -4.23 -0.96 -5.02 115.64 107.22 1aek s THR 133 Ca 0.62 -2.19 -0.12 0.00 -1.18 0.00 0.00 61.69 58.83 1aek s THR 133 Cb -0.48 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 70.80 1aek s THR 133 CO 0.50 -0.26 1.11 -2.84 -0.54 0.00 0.00 174.62 172.59 1aek s PRO 134 N -3.61 2.28 0.51 3.99 0.02 -1.26 -4.88 135.00 132.05 1aek s PRO 134 Ca 0.32 1.30 0.30 0.00 0.02 0.00 0.00 61.00 62.95 1aek s PRO 134 Cb -0.00 -1.89 1.42 0.00 0.02 0.00 0.00 34.50 34.04 1aek s PRO 134 CO 0.17 -1.64 1.83 1.49 -0.33 0.00 0.00 177.00 178.52 1aek h GLU 135 N -0.83 0.09 0.00 5.54 4.81 -1.99 0.10 114.58 122.31 1aek h GLU 135 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1aek h GLU 135 Cb 1.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1aek h GLU 135 CO 0.51 0.06 0.00 0.38 -0.73 0.00 0.00 179.01 179.23 1aek h ASP 136 N 0.10 0.00 0.75 1.04 2.03 -2.02 -2.14 116.42 116.17 1aek h ASP 136 Ca 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 1aek h ASP 136 Cb 1.85 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.35 1aek h ASP 136 CO -0.07 0.00 -0.25 0.35 -1.03 0.00 0.00 179.24 178.24 1aek n THR 137 N -2.35 0.00 -1.67 1.15 -2.24 0.35 -4.91 114.28 104.60 1aek n THR 137 Ca 0.01 -0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.31 1aek n THR 137 Cb 0.22 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1aek n THR 137 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1aek n THR 138 N -1.49 0.56 -1.90 4.28 -1.04 -0.81 -4.72 114.28 109.16 1aek n THR 138 Ca 0.06 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 1aek n THR 138 Cb 0.34 -1.87 0.03 0.00 -1.82 0.00 0.00 70.33 67.01 1aek n THR 138 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1aek s PRO 139 N 4.21 3.14 0.57 -2.82 0.04 -1.26 -5.00 135.00 133.88 1aek s PRO 139 Ca 0.94 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 63.85 1aek s PRO 139 Cb -0.70 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1aek s PRO 139 CO 0.52 -1.14 1.14 -0.51 0.04 0.00 0.00 177.00 177.05 1aek s ASP 140 N -1.20 5.52 0.70 6.66 1.01 -1.26 -4.67 116.67 123.44 1aek s ASP 140 Ca 0.73 2.18 -0.17 0.00 0.71 0.00 0.00 52.55 56.00 1aek s ASP 140 Cb -0.36 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 40.92 1aek s ASP 140 CO 0.42 -1.35 0.30 0.59 0.21 0.00 0.00 175.17 175.33 1aek n ASN 141 N -1.54 -2.05 0.00 0.27 4.13 -1.26 -4.20 115.26 110.61 1aek n ASN 141 Ca 0.12 0.57 0.00 0.00 1.68 0.00 0.00 54.58 56.95 1aek n ASN 141 Cb 0.51 -1.11 0.00 0.00 -1.54 0.00 0.00 39.78 37.64 1aek n ASN 141 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aek n GLY 142 N 1.97 0.91 0.13 7.41 0.00 -1.26 -4.98 105.19 109.36 1aek n GLY 142 Ca 0.09 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1aek n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aek n ARG 143 N -2.16 0.49 -3.49 1.61 1.74 -1.26 -4.96 116.66 108.63 1aek n ARG 143 Ca 0.00 -0.26 -0.30 0.00 -0.77 0.00 0.00 57.85 56.52 1aek n ARG 143 Cb 0.00 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 1aek n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aek s LEU 144 N -2.83 4.17 0.41 0.55 1.43 -1.26 -4.74 118.68 116.40 1aek s LEU 144 Ca 0.10 0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 53.70 1aek s LEU 144 Cb 0.16 -3.49 -0.10 0.00 0.03 0.00 0.00 46.19 42.79 1aek s LEU 144 CO 0.77 -0.07 0.98 -2.16 0.23 0.00 0.00 176.35 176.09 1aek s PRO 145 N -3.04 4.25 0.49 1.29 0.04 -1.26 -5.05 135.00 131.71 1aek s PRO 145 Ca 0.44 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.56 1aek s PRO 145 Cb -0.11 -2.38 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 1aek s PRO 145 CO 0.25 -0.03 1.00 -0.51 0.04 0.00 0.00 177.00 177.76 1aek s ASP 146 N -1.91 6.52 0.13 6.66 1.01 -1.26 -5.00 116.67 122.83 1aek s ASP 146 Ca 0.59 1.75 0.23 0.00 0.71 0.00 0.00 52.55 55.82 1aek s ASP 146 Cb -0.15 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 1aek s ASP 146 CO 0.19 -0.65 0.96 0.00 0.21 0.00 0.00 175.17 175.87 1aek n ALA 147 N -1.17 2.74 0.02 5.23 0.00 -1.26 -4.38 120.51 121.69 1aek n ALA 147 Ca 0.08 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 1aek n ALA 147 Cb 0.53 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 19.04 1aek n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aek n ASP 148 N -2.45 3.33 -2.47 0.00 5.75 -1.26 -1.50 116.55 117.95 1aek n ASP 148 Ca -0.00 -2.70 -0.06 0.00 -0.01 0.00 0.00 54.79 52.01 1aek n ASP 148 Cb 0.53 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.96 1aek n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aek n LYS 149 N -0.21 1.73 -3.85 0.11 4.76 -1.26 -4.92 118.16 114.52 1aek n LYS 149 Ca 0.26 -0.69 -0.26 0.00 -2.87 0.00 0.00 58.31 54.76 1aek n LYS 149 Cb 1.01 0.19 -0.01 0.00 -1.84 0.00 0.00 35.03 34.38 1aek n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1aek n ASP 150 N -1.10 2.78 -0.36 4.39 5.75 -1.26 -3.14 116.55 123.62 1aek n ASP 150 Ca -0.04 -2.83 0.10 0.00 -0.01 0.00 0.00 54.79 52.01 1aek n ASP 150 Cb 0.12 0.04 0.28 0.00 -1.03 0.00 0.00 41.12 40.53 1aek n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aek h ALA 151 N 0.80 1.60 -0.58 2.12 0.00 -1.90 -1.36 119.26 119.93 1aek h ALA 151 Ca -0.34 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1aek h ALA 151 Cb 1.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1aek h ALA 151 CO 0.54 0.10 0.15 0.78 0.00 0.00 0.00 179.25 180.82 1aek h GLY 152 N 0.89 0.97 0.85 0.00 0.00 -1.96 -0.97 103.07 102.85 1aek h GLY 152 Ca 0.53 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1aek h GLY 152 CO -0.31 0.52 -0.09 -1.82 0.00 0.00 0.00 176.54 174.84 1aek h TYR 153 N 0.87 -0.23 -0.57 5.60 3.20 -1.66 -1.57 116.97 122.60 1aek h TYR 153 Ca 0.19 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.13 1aek h TYR 153 Cb 0.30 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1aek h TYR 153 CO 0.02 -0.02 0.23 0.28 -1.64 0.00 0.00 178.16 177.03 1aek h VAL 154 N -0.41 0.82 -0.48 1.81 2.07 -1.24 0.18 116.25 119.01 1aek h VAL 154 Ca -0.03 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1aek h VAL 154 Cb 0.31 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1aek h VAL 154 CO 0.04 0.08 0.21 -0.09 0.02 0.00 0.00 177.57 177.83 1aek h ARG 155 N 0.43 0.71 -0.03 1.57 2.43 -1.10 -2.00 114.38 116.38 1aek h ARG 155 Ca 0.28 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1aek h ARG 155 Cb 0.30 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1aek h ARG 155 CO -0.26 0.62 -0.02 1.15 -1.51 0.00 0.00 179.97 179.95 1aek h THR 156 N 0.63 1.33 -0.45 0.20 2.02 -1.07 -2.60 112.91 112.97 1aek h THR 156 Ca 0.16 -1.02 0.08 0.00 0.77 0.00 0.00 66.41 66.41 1aek h THR 156 Cb 0.17 1.95 -0.07 0.00 -1.74 0.00 0.00 68.15 68.45 1aek h THR 156 CO -0.02 0.27 -0.00 0.15 0.37 0.00 0.00 175.52 176.29 1aek h PHE 157 N -0.33 -0.03 0.00 3.16 3.57 -0.57 -2.55 116.94 120.19 1aek h PHE 157 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1aek h PHE 157 Cb 0.45 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1aek h PHE 157 CO 0.07 -0.10 0.00 1.19 -2.23 0.00 0.00 178.31 177.24 1aek n PHE 158 N -5.22 0.78 0.22 0.41 3.72 -0.76 -1.97 117.46 114.64 1aek n PHE 158 Ca 0.04 0.28 0.05 0.00 -0.05 0.00 0.00 57.45 57.77 1aek n PHE 158 Cb 0.24 -0.95 0.49 0.00 -0.94 0.00 0.00 39.48 38.32 1aek n PHE 158 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1aek h GLN 159 N 0.00 0.00 0.00 -1.08 4.20 -1.05 -2.01 115.11 115.17 1aek h GLN 159 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1aek h GLN 159 Cb 0.47 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1aek h GLN 159 CO 0.00 0.20 -0.14 -0.09 -0.67 0.00 0.00 178.83 178.14 1aek h ARG 160 N 0.00 0.00 -0.78 1.46 2.43 -1.48 -1.98 114.38 114.02 1aek h ARG 160 Ca -0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.89 1aek h ARG 160 Cb 0.36 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.75 1aek h ARG 160 CO 0.03 0.14 0.34 1.28 -1.51 0.00 0.00 179.97 180.24 1aek n LEU 161 N -4.14 6.20 0.00 3.80 4.77 -0.93 -1.88 117.00 124.83 1aek n LEU 161 Ca -0.02 -3.31 0.00 0.00 -0.03 0.00 0.00 56.01 52.64 1aek n LEU 161 Cb 0.21 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1aek n LEU 161 CO 0.34 0.87 0.00 -0.46 -1.33 0.00 0.00 177.39 176.80 1aek n ASN 162 N -0.37 0.00 -4.65 -1.43 6.94 -0.75 -4.99 115.26 110.02 1aek n ASN 162 Ca 0.45 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.66 1aek n ASN 162 Cb 1.44 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 38.77 1aek n ASN 162 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1aek s MET 163 N 0.00 3.40 0.29 -3.83 -1.94 -0.80 -5.02 119.30 111.39 1aek s MET 163 Ca 0.00 -0.39 0.02 0.00 -1.71 0.00 0.00 55.69 53.61 1aek s MET 163 Cb 0.00 -2.95 0.05 0.00 2.01 0.00 0.00 34.83 33.94 1aek s MET 163 CO 0.00 0.52 0.40 0.27 -0.01 0.00 0.00 175.02 176.20 1aek n ASN 164 N 2.73 0.74 -0.29 3.03 0.23 -1.26 -4.17 115.26 116.27 1aek n ASN 164 Ca -0.18 -1.57 -0.05 0.00 -0.53 0.00 0.00 54.58 52.24 1aek n ASN 164 Cb 0.53 -0.24 0.06 0.00 -2.08 0.00 0.00 39.78 38.06 1aek n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1aek h ASP 165 N -0.13 1.04 -0.42 0.53 3.32 -1.99 -0.57 116.42 118.19 1aek h ASP 165 Ca -0.13 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 1aek h ASP 165 Cb 0.54 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1aek h ASP 165 CO 0.16 0.89 0.15 -0.09 -1.72 0.00 0.00 179.24 178.63 1aek h ARG 166 N 1.11 0.64 -0.29 3.56 2.43 -1.97 -1.23 114.38 118.64 1aek h ARG 166 Ca 0.27 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1aek h ARG 166 Cb 0.13 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1aek h ARG 166 CO -0.03 0.61 0.12 0.93 -1.51 0.00 0.00 179.97 180.09 1aek h GLU 167 N 0.54 0.43 -0.39 0.20 5.08 -1.82 -0.79 114.58 117.83 1aek h GLU 167 Ca 0.14 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1aek h GLU 167 Cb 0.22 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1aek h GLU 167 CO -0.01 0.44 0.16 0.28 -1.00 0.00 0.00 179.01 178.89 1aek h VAL 168 N 0.32 0.93 -0.47 3.13 2.07 -0.99 -0.30 116.25 120.93 1aek h VAL 168 Ca 0.10 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1aek h VAL 168 Cb 0.17 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1aek h VAL 168 CO -0.01 0.06 -0.15 0.58 0.02 0.00 0.00 177.57 178.07 1aek h VAL 169 N 0.34 1.27 0.01 2.57 2.07 -1.05 -1.40 116.25 120.06 1aek h VAL 169 Ca 0.17 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1aek h VAL 169 Cb 0.12 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1aek h VAL 169 CO -0.15 0.45 -0.00 0.00 0.02 0.00 0.00 177.57 177.88 1aek h ALA 170 N 0.87 -0.01 -0.66 1.67 0.00 -1.02 -3.05 119.26 117.07 1aek h ALA 170 Ca 0.12 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1aek h ALA 170 Cb 0.72 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1aek h ALA 170 CO 0.05 -0.46 0.23 -0.07 0.00 0.00 0.00 179.25 179.00 1aek h LEU 171 N -0.10 0.19 -2.71 0.00 4.07 -0.96 -2.82 115.31 112.98 1aek h LEU 171 Ca -0.00 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1aek h LEU 171 Cb 0.10 0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1aek h LEU 171 CO 0.00 0.10 -0.00 -0.03 -1.08 0.00 0.00 178.44 177.43 1aek h MET 172 N 0.39 0.00 -0.12 1.13 4.05 -1.14 -2.49 114.93 116.75 1aek h MET 172 Ca 0.34 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.80 1aek h MET 172 Cb 0.48 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1aek h MET 172 CO -0.36 0.00 0.26 0.78 0.23 0.00 0.00 176.91 177.82 1aek h GLY 173 N 0.01 0.00 2.00 1.39 0.00 -1.45 -0.11 103.07 104.91 1aek h GLY 173 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aek h GLY 173 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.53 1aek h ALA 174 N 1.59 1.08 0.00 3.60 0.00 -1.64 -2.41 119.26 121.48 1aek h ALA 174 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1aek h ALA 174 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1aek h ALA 174 CO -0.00 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.99 1aek n HIS 175 N -3.21 0.00 0.28 0.00 8.25 -0.05 -1.70 115.22 118.79 1aek n HIS 175 Ca -0.02 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.60 1aek n HIS 175 Cb 0.14 -0.21 0.84 0.00 1.12 0.00 0.00 29.99 31.88 1aek n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aek h ALA 176 N 2.62 1.17 -2.65 -1.41 0.00 -1.65 -3.42 119.26 113.92 1aek h ALA 176 Ca 0.00 -0.06 -0.51 0.00 0.00 0.00 0.00 54.91 54.34 1aek h ALA 176 Cb 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1aek h ALA 176 CO 0.00 0.08 0.21 -0.51 0.00 0.00 0.00 179.25 179.03 1aek s LEU 177 N -6.81 4.51 0.00 0.00 1.43 -0.69 -4.33 118.68 112.79 1aek s LEU 177 Ca -0.03 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1aek s LEU 177 Cb 0.12 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1aek s LEU 177 CO 0.53 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.85 1aek n GLY 178 N 1.24 2.18 3.67 -3.19 0.00 0.60 -4.95 105.19 104.74 1aek n GLY 178 Ca -0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 1aek n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aek s LYS 179 N 0.00 1.04 0.18 1.61 -2.85 -1.26 -4.46 119.74 114.00 1aek s LYS 179 Ca 0.00 -0.53 -0.12 0.00 -1.00 0.00 0.00 55.97 54.32 1aek s LYS 179 Cb 0.00 0.38 -0.07 0.00 -2.06 0.00 0.00 37.83 36.08 1aek s LYS 179 CO 0.00 -0.47 0.54 0.95 0.10 0.00 0.00 175.35 176.47 1aek s THR 180 N -3.19 4.90 -0.18 3.79 -4.23 -0.29 -4.95 115.64 111.49 1aek s THR 180 Ca 0.10 0.66 0.01 0.00 -1.18 0.00 0.00 61.69 61.28 1aek s THR 180 Cb -0.01 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.18 1aek s THR 180 CO -0.01 0.11 -0.15 -1.00 -0.54 0.00 0.00 174.62 173.02 1aek s HIS 181 N -1.61 2.57 0.27 3.99 0.09 -1.11 -2.40 115.29 117.09 1aek s HIS 181 Ca 0.42 -1.58 -0.00 0.00 -0.00 0.00 0.00 55.06 53.90 1aek s HIS 181 Cb -0.13 -1.77 0.55 0.00 -0.00 0.00 0.00 32.58 31.24 1aek s HIS 181 CO 0.20 -0.76 1.77 1.25 -0.00 0.00 0.00 174.74 177.20 1aek h LEU 182 N 7.96 0.59 -0.54 0.89 5.85 -1.56 -0.65 115.31 127.87 1aek h LEU 182 Ca -0.37 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1aek h LEU 182 Cb 1.12 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1aek h LEU 182 CO 0.55 0.25 0.00 1.17 -0.34 0.00 0.00 178.44 180.08 1aek n LYS 183 N -4.84 0.23 -0.06 1.25 4.81 -1.26 -0.59 118.16 117.70 1aek n LYS 183 Ca 0.18 0.37 -0.22 0.00 -0.87 0.00 0.00 58.31 57.78 1aek n LYS 183 Cb 0.44 -1.88 -0.13 0.00 0.02 0.00 0.00 35.03 33.49 1aek n LYS 183 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1aek h ASN 184 N 0.00 0.17 0.00 3.14 2.35 -1.48 -3.45 115.58 116.32 1aek h ASN 184 Ca 0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 1aek h ASN 184 Cb 0.48 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1aek h ASN 184 CO 0.00 1.62 0.00 -1.54 -1.65 0.00 0.00 177.43 175.86 1aek n SER 185 N -4.07 0.15 0.00 5.81 3.41 -0.83 -4.75 113.62 113.34 1aek n SER 185 Ca -0.31 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1aek n SER 185 Cb 0.82 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 1aek n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aek n GLY 186 N 0.77 0.45 3.23 5.00 0.00 0.24 -5.02 105.19 109.85 1aek n GLY 186 Ca 0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 1aek n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aek s TYR 187 N -2.00 1.56 -0.01 1.61 2.02 -1.26 -4.58 117.35 114.69 1aek s TYR 187 Ca 0.00 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1aek s TYR 187 Cb 0.00 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.70 1aek s TYR 187 CO 0.00 0.13 0.01 -2.00 -1.57 0.00 0.00 175.55 172.12 1aek s GLU 188 N -1.69 0.05 0.00 -0.62 2.56 -1.26 -1.29 118.70 116.45 1aek s GLU 188 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.97 55.08 1aek s GLU 188 Cb -0.10 -0.19 0.00 0.00 2.00 0.00 0.00 34.13 35.84 1aek s GLU 188 CO 0.03 -0.08 0.00 0.41 -0.56 0.00 0.00 175.26 175.06 1aek n GLY 189 N 3.66 3.19 3.95 -1.50 0.00 -1.01 -4.85 105.19 108.63 1aek n GLY 189 Ca -0.21 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 1aek n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aek s PRO 190 N -2.62 2.89 0.00 1.61 0.04 -1.26 -1.13 135.00 134.52 1aek s PRO 190 Ca 0.00 -0.47 0.18 0.00 0.04 0.00 0.00 61.00 60.75 1aek s PRO 190 Cb 0.00 -2.48 0.37 0.00 0.04 0.00 0.00 34.50 32.43 1aek s PRO 190 CO 0.00 -0.48 1.29 0.41 0.04 0.00 0.00 177.00 178.26 1aek n GLY 191 N -2.25 1.79 0.00 0.56 0.00 -1.26 -0.91 105.19 103.12 1aek n GLY 191 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1aek n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aek n GLY 192 N 1.11 -0.42 0.13 -0.02 0.00 -1.26 -4.76 105.19 99.98 1aek n GLY 192 Ca 0.16 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 1aek n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aek h ALA 193 N 0.00 -0.09 -1.36 4.61 0.00 -1.96 -3.39 119.26 117.07 1aek h ALA 193 Ca 0.00 -0.84 -0.74 0.00 0.00 0.00 0.00 54.91 53.33 1aek h ALA 193 Cb 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 17.82 1aek h ALA 193 CO 0.00 0.61 1.65 0.00 0.00 0.00 0.00 179.25 181.51 1aek n ALA 194 N -2.73 4.43 -0.33 0.00 0.00 -1.26 -4.82 120.51 115.80 1aek n ALA 194 Ca -0.17 -4.26 0.08 0.00 0.00 0.00 0.00 53.44 49.09 1aek n ALA 194 Cb 0.98 -3.05 0.31 0.00 0.00 0.00 0.00 19.45 17.70 1aek n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1aek n ASN 195 N 5.06 4.29 -0.91 0.00 2.04 -1.26 -3.94 115.26 120.53 1aek n ASN 195 Ca 0.38 -2.45 0.03 0.00 -0.44 0.00 0.00 54.58 52.10 1aek n ASN 195 Cb 0.40 -0.56 0.03 0.00 -2.53 0.00 0.00 39.78 37.12 1aek n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1aek n ASN 196 N 0.86 0.64 -4.15 0.53 6.94 -1.26 -0.29 115.26 118.52 1aek n ASN 196 Ca 0.22 -2.15 -0.29 0.00 -0.02 0.00 0.00 54.58 52.34 1aek n ASN 196 Cb 0.83 -0.27 -0.17 0.00 -2.36 0.00 0.00 39.78 37.81 1aek n ASN 196 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1aek s VAL 197 N -0.31 1.71 -0.41 3.53 1.01 -1.25 -4.79 120.40 119.88 1aek s VAL 197 Ca 0.18 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1aek s VAL 197 Cb 0.20 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1aek s VAL 197 CO -0.07 0.48 1.43 0.12 0.00 0.00 0.00 175.10 177.06 1aek s PHE 198 N 0.38 2.36 0.33 5.22 2.19 0.50 -4.89 117.98 124.07 1aek s PHE 198 Ca -0.15 0.66 0.04 0.00 0.33 0.00 0.00 56.93 57.82 1aek s PHE 198 Cb -0.16 -4.31 -0.03 0.00 -1.31 0.00 0.00 43.02 37.20 1aek s PHE 198 CO 0.06 -2.04 0.19 0.95 1.83 0.00 0.00 175.22 176.22 1aek s THR 199 N 5.55 0.23 -0.76 0.12 -4.23 -1.26 -4.55 115.64 110.75 1aek s THR 199 Ca 0.62 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1aek s THR 199 Cb -0.14 -2.47 0.33 0.00 1.34 0.00 0.00 72.50 71.56 1aek s THR 199 CO 0.33 0.00 1.01 -0.46 -0.54 0.00 0.00 174.62 174.96 1aek n ASN 200 N -1.18 2.85 -0.02 3.99 6.94 -1.26 -4.56 115.26 122.03 1aek n ASN 200 Ca 0.02 -2.36 0.22 0.00 -0.02 0.00 0.00 54.58 52.45 1aek n ASN 200 Cb 0.64 -0.56 0.72 0.00 -2.36 0.00 0.00 39.78 38.22 1aek n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1aek h GLU 201 N 1.62 0.00 -0.81 -3.83 4.81 -1.94 -1.93 114.58 112.49 1aek h GLU 201 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1aek h GLU 201 Cb 1.07 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 1aek h GLU 201 CO 0.19 0.00 0.47 0.35 -0.73 0.00 0.00 179.01 179.29 1aek h PHE 202 N 0.00 0.86 -0.16 0.92 3.57 -1.84 -0.54 116.94 119.75 1aek h PHE 202 Ca 0.28 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.63 1aek h PHE 202 Cb 1.18 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 39.66 1aek h PHE 202 CO 0.00 0.38 -0.58 1.88 -2.23 0.00 0.00 178.31 177.76 1aek h TYR 203 N 0.82 0.90 -0.49 0.41 0.05 -1.71 -2.00 116.97 114.96 1aek h TYR 203 Ca 0.38 -0.37 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1aek h TYR 203 Cb 0.29 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1aek h TYR 203 CO -0.06 1.18 0.29 -0.07 -1.05 0.00 0.00 178.16 178.45 1aek h LEU 204 N 0.38 0.58 -0.54 3.88 3.38 -1.37 -2.48 115.31 119.14 1aek h LEU 204 Ca -0.03 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1aek h LEU 204 Cb 1.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1aek h LEU 204 CO 0.12 0.47 -0.10 0.78 0.09 0.00 0.00 178.44 179.80 1aek h ASN 205 N 0.65 1.03 -0.33 -0.43 4.21 -1.09 0.11 115.58 119.73 1aek h ASN 205 Ca 0.17 -0.35 0.04 0.00 1.21 0.00 0.00 56.30 57.37 1aek h ASN 205 Cb -0.00 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 36.88 1aek h ASN 205 CO -0.03 1.14 0.11 0.25 -1.29 0.00 0.00 177.43 177.61 1aek h LEU 206 N 0.90 0.12 -0.11 1.61 5.85 -1.30 -1.22 115.31 121.18 1aek h LEU 206 Ca 0.14 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.70 1aek h LEU 206 Cb 0.67 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1aek h LEU 206 CO 0.05 0.11 -0.95 -0.07 -0.34 0.00 0.00 178.44 177.24 1aek h LEU 207 N 0.25 0.00 0.00 2.25 3.38 -1.27 -3.39 115.31 116.53 1aek h LEU 207 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1aek h LEU 207 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1aek h LEU 207 CO -0.15 0.95 -1.12 0.59 0.09 0.00 0.00 178.44 178.79 1aek n ASN 208 N -3.41 0.83 -4.92 -0.43 5.03 0.37 -4.99 115.26 107.74 1aek n ASN 208 Ca -0.00 -0.65 -0.26 0.00 0.87 0.00 0.00 54.58 54.54 1aek n ASN 208 Cb 0.89 1.24 0.01 0.00 -1.02 0.00 0.00 39.78 40.90 1aek n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1aek s GLU 209 N -2.84 3.32 -0.75 3.52 0.41 -0.47 -5.02 118.70 116.87 1aek s GLU 209 Ca 0.03 -0.03 -0.18 0.00 -0.41 0.00 0.00 54.97 54.38 1aek s GLU 209 Cb 0.13 -2.42 0.13 0.00 -1.78 0.00 0.00 34.13 30.19 1aek s GLU 209 CO 0.73 -0.28 0.87 0.34 -0.49 0.00 0.00 175.26 176.44 1aek s ASP 210 N -4.16 6.43 0.12 -0.19 2.15 -1.26 -4.97 116.67 114.79 1aek s ASP 210 Ca 0.48 -1.82 -0.23 0.00 0.43 0.00 0.00 52.55 51.42 1aek s ASP 210 Cb -0.10 -2.33 -0.07 0.00 -0.30 0.00 0.00 42.92 40.12 1aek s ASP 210 CO 0.43 -1.03 0.69 0.26 -0.17 0.00 0.00 175.17 175.34 1aek s TRP 211 N 2.35 3.86 -0.15 -5.34 0.52 -1.26 -4.16 118.94 114.76 1aek s TRP 211 Ca 0.20 1.48 0.01 0.00 0.02 0.00 0.00 56.10 57.81 1aek s TRP 211 Cb -0.15 -2.66 0.02 0.00 -1.15 0.00 0.00 33.47 29.54 1aek s TRP 211 CO -0.01 0.54 -0.15 0.15 0.02 0.00 0.00 176.95 177.49 1aek s LYS 212 N -1.08 2.42 -0.43 4.98 1.02 0.11 -4.89 119.74 121.86 1aek s LYS 212 Ca 0.33 -0.61 -0.28 0.00 0.02 0.00 0.00 55.97 55.43 1aek s LYS 212 Cb -0.21 -2.17 -0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1aek s LYS 212 CO 0.23 -0.21 1.62 -1.17 -0.92 0.00 0.00 175.35 174.90 1aek s LEU 213 N 1.40 3.48 0.42 3.17 2.96 -1.26 -0.64 118.68 128.22 1aek s LEU 213 Ca 0.04 0.84 0.06 0.00 -0.22 0.00 0.00 54.13 54.85 1aek s LEU 213 Cb -0.13 -3.30 -0.07 0.00 0.50 0.00 0.00 46.19 43.19 1aek s LEU 213 CO -0.10 -1.72 0.01 -1.61 -1.32 0.00 0.00 176.35 171.61 1aek s GLU 214 N 5.61 1.99 -0.15 1.98 2.02 -0.32 -4.96 118.70 124.86 1aek s GLU 214 Ca 0.68 -2.15 -0.03 0.00 0.02 0.00 0.00 54.97 53.48 1aek s GLU 214 Cb -0.16 -1.59 -0.03 0.00 0.10 0.00 0.00 34.13 32.45 1aek s GLU 214 CO 0.30 -0.11 -0.03 0.21 0.02 0.00 0.00 175.26 175.65 1aek s LYS 215 N -3.74 3.61 0.73 1.61 2.20 -1.26 -1.56 119.74 121.33 1aek s LYS 215 Ca 0.30 -0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1aek s LYS 215 Cb 0.09 -2.90 0.11 0.00 -1.51 0.00 0.00 37.83 33.61 1aek s LYS 215 CO 0.15 0.28 1.02 0.54 -0.36 0.00 0.00 175.35 176.99 1aek s ASN 216 N 0.25 4.40 0.42 1.43 2.20 0.06 -4.93 114.94 118.76 1aek s ASN 216 Ca -0.03 -0.00 0.29 0.00 -0.94 0.00 0.00 52.86 52.18 1aek s ASN 216 Cb -0.14 -0.46 1.50 0.00 -2.00 0.00 0.00 41.25 40.15 1aek s ASN 216 CO 0.03 -1.83 1.88 0.44 -2.94 0.00 0.00 177.10 174.67 1aek h ASP 217 N -0.64 0.00 -0.19 3.54 3.32 -1.93 0.16 116.42 120.68 1aek h ASP 217 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1aek h ASP 217 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1aek h ASP 217 CO 0.47 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.99 1aek n ALA 218 N -1.88 2.51 -2.01 3.45 0.00 -1.26 -4.92 120.51 116.40 1aek n ALA 218 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.75 1aek n ALA 218 Cb 0.08 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1aek n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1aek n ASN 219 N 0.40 -4.09 -4.81 0.00 3.02 0.57 -5.03 115.26 105.32 1aek n ASN 219 Ca 0.16 0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.45 1aek n ASN 219 Cb 0.34 -3.14 -0.07 0.00 -0.61 0.00 0.00 39.78 36.31 1aek n ASN 219 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1aek s ASN 220 N -2.55 5.85 0.19 6.41 0.02 -1.25 -4.85 114.94 118.76 1aek s ASN 220 Ca 0.00 0.20 -0.28 0.00 -1.02 0.00 0.00 52.86 51.77 1aek s ASN 220 Cb 0.00 -1.73 -0.08 0.00 0.02 0.00 0.00 41.25 39.46 1aek s ASN 220 CO 0.00 0.28 0.87 -1.61 0.02 0.00 0.00 177.10 176.66 1aek s GLU 221 N -1.73 4.71 0.05 -0.60 2.02 -1.26 -0.76 118.70 121.13 1aek s GLU 221 Ca 0.23 1.33 -0.10 0.00 0.02 0.00 0.00 54.97 56.46 1aek s GLU 221 Cb -0.12 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1aek s GLU 221 CO 0.14 0.50 0.21 1.14 0.02 0.00 0.00 175.26 177.27 1aek s GLN 222 N -0.99 0.75 -0.30 1.61 -2.07 -0.60 -4.61 119.66 113.45 1aek s GLN 222 Ca 0.39 -0.70 -0.24 0.00 -1.82 0.00 0.00 55.36 53.00 1aek s GLN 222 Cb -0.24 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 31.99 1aek s GLN 222 CO 0.29 -0.23 0.83 -1.58 -1.32 0.00 0.00 175.29 173.28 1aek s TRP 223 N -2.90 3.20 0.01 9.60 0.52 -0.35 -1.17 118.94 127.85 1aek s TRP 223 Ca -0.02 0.88 0.04 0.00 0.02 0.00 0.00 56.10 57.01 1aek s TRP 223 Cb 0.00 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 29.02 1aek s TRP 223 CO -0.06 -0.58 -0.07 -0.51 0.02 0.00 0.00 176.95 175.75 1aek s ASP 224 N 1.61 4.59 0.25 2.95 1.01 0.19 -0.15 116.67 127.12 1aek s ASP 224 Ca 0.34 -0.17 0.11 0.00 0.71 0.00 0.00 52.55 53.55 1aek s ASP 224 Cb -0.14 -1.05 -0.05 0.00 1.01 0.00 0.00 42.92 42.69 1aek s ASP 224 CO 0.13 0.28 -0.18 -0.94 0.21 0.00 0.00 175.17 174.66 1aek s SER 225 N -1.47 3.71 0.42 0.27 1.04 -0.49 0.09 113.70 117.27 1aek s SER 225 Ca 0.17 -0.91 0.16 0.00 0.48 0.00 0.00 55.95 55.86 1aek s SER 225 Cb -0.11 -0.38 1.06 0.00 0.10 0.00 0.00 66.02 66.68 1aek s SER 225 CO 0.08 0.06 1.89 0.11 0.98 0.00 0.00 173.24 176.36 1aek h LYS 226 N 2.51 0.41 0.00 4.02 6.56 -1.89 -1.25 116.57 126.93 1aek h LYS 226 Ca -0.43 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1aek h LYS 226 Cb 1.24 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 1aek h LYS 226 CO 0.57 0.27 0.00 0.43 -2.06 0.00 0.00 179.45 178.65 1aek n SER 227 N -4.49 0.00 0.00 0.86 7.64 -1.26 -4.85 113.62 111.52 1aek n SER 227 Ca 0.16 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1aek n SER 227 Cb 0.60 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1aek n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aek n GLY 228 N -0.14 0.85 3.96 0.23 0.00 -0.47 -5.09 105.19 104.53 1aek n GLY 228 Ca 0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1aek n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aek s TYR 229 N -2.00 3.30 0.04 1.61 2.02 -1.25 -4.52 117.35 116.54 1aek s TYR 229 Ca 0.00 0.09 -0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1aek s TYR 229 Cb 0.00 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1aek s TYR 229 CO 0.00 -0.01 -0.03 0.00 -1.57 0.00 0.00 175.55 173.93 1aek s MET 230 N -4.30 0.47 0.02 -0.62 0.23 -0.09 -1.40 119.30 113.61 1aek s MET 230 Ca 0.43 -0.90 0.04 0.00 -1.03 0.00 0.00 55.69 54.23 1aek s MET 230 Cb -0.10 0.11 -0.02 0.00 -1.53 0.00 0.00 34.83 33.30 1aek s MET 230 CO 0.34 -0.07 -0.11 -1.64 -2.03 0.00 0.00 175.02 171.51 1aek s MET 231 N -2.56 0.80 0.66 3.16 -1.94 0.79 -4.22 119.30 116.00 1aek s MET 231 Ca -0.05 -0.57 -0.12 0.00 -1.71 0.00 0.00 55.69 53.24 1aek s MET 231 Cb -0.02 -0.77 -0.01 0.00 2.01 0.00 0.00 34.83 36.05 1aek s MET 231 CO -0.05 0.20 1.05 -0.51 -0.01 0.00 0.00 175.02 175.70 1aek s LEU 232 N -0.79 3.24 0.19 -0.03 1.43 -1.26 -1.21 118.68 120.24 1aek s LEU 232 Ca 0.01 1.65 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 1aek s LEU 232 Cb -0.06 -4.50 0.20 0.00 0.03 0.00 0.00 46.19 41.85 1aek s LEU 232 CO 0.00 -1.32 1.71 -0.65 0.23 0.00 0.00 176.35 176.33 1aek h PRO 233 N -0.38 0.21 0.00 1.29 0.11 -1.81 -0.24 132.00 131.18 1aek h PRO 233 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1aek h PRO 233 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1aek h PRO 233 CO 0.57 0.14 -0.13 1.79 -0.21 0.00 0.00 178.00 180.16 1aek h THR 234 N 0.21 0.69 -0.17 -1.15 1.35 -1.21 -1.64 112.91 110.99 1aek h THR 234 Ca 0.25 -0.55 -0.09 0.00 -0.55 0.00 0.00 66.41 65.48 1aek h THR 234 Cb 0.35 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1aek h THR 234 CO -0.34 0.13 -0.23 0.44 -0.25 0.00 0.00 175.52 175.26 1aek h ASP 235 N 0.00 0.50 0.33 5.36 3.32 -1.38 -3.24 116.42 121.31 1aek h ASP 235 Ca -0.00 -0.51 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 1aek h ASP 235 Cb 0.33 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1aek h ASP 235 CO 0.02 0.91 -0.26 0.22 -1.72 0.00 0.00 179.24 178.41 1aek h TYR 236 N 0.10 0.00 -1.46 4.55 3.20 -1.00 -2.81 116.97 119.54 1aek h TYR 236 Ca 0.02 0.00 0.45 0.00 3.14 0.00 0.00 58.73 62.34 1aek h TYR 236 Cb 0.80 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.97 1aek h TYR 236 CO 0.09 0.26 0.99 0.77 -1.64 0.00 0.00 178.16 178.64 1aek h SER 237 N 0.00 0.16 0.74 -2.11 0.02 -1.33 -1.48 113.55 109.55 1aek h SER 237 Ca -0.00 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1aek h SER 237 Cb 0.50 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1aek h SER 237 CO 0.03 -0.10 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.34 1aek h LEU 238 N 0.07 0.00 -0.14 5.07 3.38 -1.65 -1.86 115.31 120.18 1aek h LEU 238 Ca 0.81 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.78 1aek h LEU 238 Cb 2.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.55 1aek h LEU 238 CO -0.26 0.22 -0.70 2.30 0.09 0.00 0.00 178.44 180.09 1aek n ILE 239 N -3.49 0.00 0.13 1.22 -5.35 -0.57 -1.51 119.36 109.80 1aek n ILE 239 Ca -0.01 -0.04 0.01 0.00 -0.27 0.00 0.00 62.75 62.45 1aek n ILE 239 Cb 0.38 0.69 0.04 0.00 -1.74 0.00 0.00 39.64 39.02 1aek n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1aek h GLN 240 N 0.34 0.00 -5.55 6.28 4.20 -1.26 -3.45 115.11 115.68 1aek h GLN 240 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 1aek h GLN 240 Cb 0.53 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.21 1aek h GLN 240 CO 0.00 0.57 -0.35 0.34 -0.67 0.00 0.00 178.83 178.72 1aek s ASP 241 N -6.50 6.45 0.24 1.46 -1.08 -0.99 -5.01 116.67 111.24 1aek s ASP 241 Ca 0.03 0.52 -0.05 0.00 -0.52 0.00 0.00 52.55 52.53 1aek s ASP 241 Cb 0.08 -2.17 0.26 0.00 -1.46 0.00 0.00 42.92 39.64 1aek s ASP 241 CO 0.75 0.18 1.81 1.55 0.52 0.00 0.00 175.17 179.97 1aek h PRO 242 N 6.22 1.07 0.07 4.34 0.13 -1.90 0.42 132.00 142.35 1aek h PRO 242 Ca -0.44 -0.19 -0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1aek h PRO 242 Cb 1.18 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1aek h PRO 242 CO 0.72 0.88 -0.03 0.87 -0.23 0.00 0.00 178.00 180.20 1aek h LYS 243 N 1.05 -0.09 -0.16 0.86 1.57 -1.95 -2.73 116.57 115.12 1aek h LYS 243 Ca 0.24 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1aek h LYS 243 Cb 0.22 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1aek h LYS 243 CO -0.02 0.15 0.06 1.88 -0.57 0.00 0.00 179.45 180.96 1aek h TYR 244 N -0.32 0.12 -0.75 -1.35 0.05 -1.80 -3.00 116.97 109.92 1aek h TYR 244 Ca -0.01 0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.87 1aek h TYR 244 Cb 0.28 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 37.92 1aek h TYR 244 CO 0.00 0.06 0.40 1.25 -1.05 0.00 0.00 178.16 178.82 1aek h LEU 245 N 0.15 0.55 -1.40 3.88 5.85 0.20 -1.33 115.31 123.20 1aek h LEU 245 Ca 0.07 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1aek h LEU 245 Cb 0.03 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1aek h LEU 245 CO -0.06 0.32 -0.08 0.77 -0.34 0.00 0.00 178.44 179.05 1aek h SER 246 N 0.68 0.00 0.23 1.25 4.64 -1.35 -2.21 113.55 116.79 1aek h SER 246 Ca 0.36 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.42 1aek h SER 246 Cb 0.35 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1aek h SER 246 CO -0.25 0.08 -1.10 0.40 -0.87 0.00 0.00 176.83 175.09 1aek h ILE 247 N 0.00 1.35 -0.58 0.95 2.04 -1.20 -2.73 117.51 117.34 1aek h ILE 247 Ca -0.00 -2.48 0.12 0.00 1.00 0.00 0.00 64.86 63.49 1aek h ILE 247 Cb 0.57 2.56 -0.09 0.00 -0.74 0.00 0.00 36.82 39.12 1aek h ILE 247 CO 0.01 0.75 0.03 0.58 0.00 0.00 0.00 178.15 179.52 1aek h VAL 248 N 0.26 0.56 -0.69 1.67 2.07 -1.04 -0.79 116.25 118.30 1aek h VAL 248 Ca -0.13 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1aek h VAL 248 Cb 1.77 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1aek h VAL 248 CO 0.20 0.03 0.35 0.11 0.02 0.00 0.00 177.57 178.28 1aek h LYS 249 N 0.15 0.96 -0.54 1.57 1.57 -1.43 0.30 116.57 119.15 1aek h LYS 249 Ca 0.30 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1aek h LYS 249 Cb 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1aek h LYS 249 CO -0.47 0.73 0.27 1.49 -0.57 0.00 0.00 179.45 180.90 1aek h GLU 250 N 0.97 0.76 0.00 3.15 4.81 -0.87 -1.46 114.58 121.93 1aek h GLU 250 Ca 0.24 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1aek h GLU 250 Cb 0.07 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1aek h GLU 250 CO -0.04 0.61 -0.52 1.88 -0.73 0.00 0.00 179.01 180.22 1aek h TYR 251 N 0.72 0.00 0.00 0.92 0.05 -0.89 -2.00 116.97 115.77 1aek h TYR 251 Ca 0.19 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.89 1aek h TYR 251 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1aek h TYR 251 CO -0.01 0.52 -0.34 0.00 -1.05 0.00 0.00 178.16 177.28 1aek h ALA 252 N 1.48 0.97 -0.02 3.88 0.00 -0.83 -3.21 119.26 121.53 1aek h ALA 252 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1aek h ALA 252 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1aek h ALA 252 CO 0.07 0.43 -0.04 0.09 0.00 0.00 0.00 179.25 179.80 1aek n ASN 253 N -3.46 1.84 -3.27 0.00 3.02 -0.56 -4.78 115.26 108.05 1aek n ASN 253 Ca 0.00 -1.57 -0.07 0.00 -0.03 0.00 0.00 54.58 52.92 1aek n ASN 253 Cb 0.51 0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.66 1aek n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1aek s ASP 254 N -2.06 -0.29 0.36 6.41 -1.08 -0.78 -5.04 116.67 114.20 1aek s ASP 254 Ca 0.34 -0.93 0.07 0.00 -0.52 0.00 0.00 52.55 51.51 1aek s ASP 254 Cb 0.21 1.34 0.69 0.00 -1.46 0.00 0.00 42.92 43.70 1aek s ASP 254 CO 0.35 -0.24 1.90 0.06 0.52 0.00 0.00 175.17 177.76 1aek h GLN 255 N 7.28 0.39 -0.45 4.34 3.07 -1.87 -2.60 115.11 125.27 1aek h GLN 255 Ca 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 1aek h GLN 255 Cb 1.13 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.61 1aek h GLN 255 CO 0.16 0.47 0.18 0.22 0.09 0.00 0.00 178.83 179.95 1aek h ASP 256 N 0.38 0.62 -0.13 0.06 3.58 -1.96 -0.43 116.42 118.54 1aek h ASP 256 Ca 0.08 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1aek h ASP 256 Cb 0.34 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1aek h ASP 256 CO 0.01 0.62 0.09 0.50 -2.88 0.00 0.00 179.24 177.58 1aek h LYS 257 N 0.59 0.17 -0.19 0.28 1.63 -1.94 -0.90 116.57 116.22 1aek h LYS 257 Ca 0.15 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1aek h LYS 257 Cb 0.19 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.71 1aek h LYS 257 CO -0.01 0.13 -0.40 0.35 -3.45 0.00 0.00 179.45 176.06 1aek h PHE 258 N 0.17 -1.16 -0.62 1.91 3.57 -1.26 -0.52 116.94 119.02 1aek h PHE 258 Ca 0.05 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.70 1aek h PHE 258 Cb -0.01 0.53 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 1aek h PHE 258 CO -0.07 -0.46 0.23 0.74 -2.23 0.00 0.00 178.31 176.53 1aek h PHE 259 N -0.44 0.40 -0.51 0.41 -1.00 -0.91 0.66 116.94 115.55 1aek h PHE 259 Ca 0.09 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 1aek h PHE 259 Cb 0.61 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 1aek h PHE 259 CO -0.50 0.09 0.23 0.87 -1.61 0.00 0.00 178.31 177.39 1aek h LYS 260 N 0.41 0.74 -0.03 1.51 1.57 -0.89 -2.20 116.57 117.67 1aek h LYS 260 Ca 0.32 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 1aek h LYS 260 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1aek h LYS 260 CO -0.32 0.63 -0.73 -0.44 -0.57 0.00 0.00 179.45 178.02 1aek h ASP 261 N 0.68 0.20 -0.32 0.86 5.19 -0.85 -2.86 116.42 119.32 1aek h ASP 261 Ca 0.17 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1aek h ASP 261 Cb 0.14 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1aek h ASP 261 CO -0.02 0.86 0.14 0.15 -3.12 0.00 0.00 179.24 177.26 1aek h PHE 262 N 0.11 0.47 -0.23 4.55 3.57 -0.75 -2.09 116.94 122.58 1aek h PHE 262 Ca -0.02 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.50 1aek h PHE 262 Cb 1.29 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.84 1aek h PHE 262 CO 0.02 0.43 -0.09 1.03 -2.23 0.00 0.00 178.31 177.48 1aek h SER 263 N 0.38 -0.30 -0.59 0.41 0.87 -1.39 0.19 113.55 113.11 1aek h SER 263 Ca 0.11 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1aek h SER 263 Cb 0.15 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1aek h SER 263 CO -0.01 -0.11 0.28 0.11 -0.53 0.00 0.00 176.83 176.57 1aek h LYS 264 N -0.04 0.85 0.00 2.24 1.57 -1.47 -2.21 116.57 117.50 1aek h LYS 264 Ca 0.12 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1aek h LYS 264 Cb 0.22 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1aek h LYS 264 CO -0.27 0.69 -0.67 0.00 -0.57 0.00 0.00 179.45 178.64 1aek h ALA 265 N 1.12 0.73 -0.14 3.86 0.00 -0.93 -1.98 119.26 121.91 1aek h ALA 265 Ca 0.20 -0.61 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 1aek h ALA 265 Cb 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1aek h ALA 265 CO -0.02 0.84 -0.80 0.35 0.00 0.00 0.00 179.25 179.61 1aek h PHE 266 N 0.00 1.08 -0.15 0.00 3.57 -0.64 -0.52 116.94 120.28 1aek h PHE 266 Ca -0.01 -0.48 -0.00 0.00 3.53 0.00 0.00 57.97 61.01 1aek h PHE 266 Cb 1.31 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1aek h PHE 266 CO 0.00 1.32 0.08 1.49 -2.23 0.00 0.00 178.31 178.97 1aek h GLU 267 N 0.53 0.21 -0.67 1.11 4.81 -1.41 -1.34 114.58 117.82 1aek h GLU 267 Ca -0.06 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1aek h GLU 267 Cb 1.43 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.72 1aek h GLU 267 CO 0.16 0.24 0.37 -0.22 -0.73 0.00 0.00 179.01 178.84 1aek h LYS 268 N 0.13 0.67 -0.53 1.92 3.64 -1.36 -0.42 116.57 120.61 1aek h LYS 268 Ca 0.05 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1aek h LYS 268 Cb 0.09 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 1aek h LYS 268 CO -0.01 0.44 0.15 1.25 -2.27 0.00 0.00 179.45 179.01 1aek h LEU 269 N 0.69 0.10 -0.80 5.20 5.85 -0.80 -1.04 115.31 124.50 1aek h LEU 269 Ca 0.30 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1aek h LEU 269 Cb 0.19 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1aek h LEU 269 CO -0.19 0.08 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.77 1aek h LEU 270 N 0.31 0.00 0.00 2.25 3.38 -0.07 -3.27 115.31 117.90 1aek h LEU 270 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1aek h LEU 270 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1aek h LEU 270 CO -0.31 0.15 -1.20 -0.62 0.09 0.00 0.00 178.44 176.56 1aek n GLU 271 N -3.22 0.16 -1.62 1.13 1.02 -0.29 -4.65 120.64 113.17 1aek n GLU 271 Ca 0.01 -0.04 -0.50 0.00 -0.02 0.00 0.00 57.16 56.61 1aek n GLU 271 Cb 0.46 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.32 1aek n GLU 271 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1aek n ASP 272 N -1.70 2.15 0.00 1.62 8.00 -0.44 -2.19 116.55 124.00 1aek n ASP 272 Ca 0.02 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.63 1aek n ASP 272 Cb 0.39 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1aek n ASP 272 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aek n GLY 273 N 2.84 2.95 3.72 0.44 0.00 -1.26 -4.47 105.19 109.41 1aek n GLY 273 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1aek n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aek s ILE 274 N -2.49 5.26 -0.28 -0.61 1.01 -0.93 -4.19 121.20 118.97 1aek s ILE 274 Ca 0.00 0.67 -0.16 0.00 0.00 0.00 0.00 60.65 61.16 1aek s ILE 274 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1aek s ILE 274 CO 0.00 0.35 0.44 -0.89 0.00 0.00 0.00 174.94 174.85 1aek s THR 275 N 0.62 5.11 -0.35 2.92 2.01 0.91 -4.96 115.64 121.91 1aek s THR 275 Ca 0.19 0.60 -0.12 0.00 0.31 0.00 0.00 61.69 62.67 1aek s THR 275 Cb -0.14 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1aek s THR 275 CO 0.06 0.05 0.23 -0.36 -0.69 0.00 0.00 174.62 173.91 1aek s PHE 276 N 2.20 3.22 0.52 4.92 0.08 -1.26 -0.45 117.98 127.22 1aek s PHE 276 Ca 0.17 -0.41 -0.20 0.00 0.12 0.00 0.00 56.93 56.62 1aek s PHE 276 Cb -0.16 -2.47 -0.09 0.00 -0.57 0.00 0.00 43.02 39.74 1aek s PHE 276 CO 0.10 -0.44 0.75 -2.30 -0.10 0.00 0.00 175.22 173.23 1aek n PRO 277 N 5.08 0.80 0.11 0.24 -0.02 -1.26 -4.90 135.00 135.04 1aek n PRO 277 Ca -0.13 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 61.76 1aek n PRO 277 Cb 0.49 -1.86 0.45 0.00 -0.02 0.00 0.00 33.50 32.56 1aek n PRO 277 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1aek n LYS 278 N -0.15 0.15 -0.06 -0.52 0.00 -1.26 -0.88 118.16 115.44 1aek n LYS 278 Ca 0.12 0.40 0.11 0.00 0.00 0.00 0.00 58.31 58.94 1aek n LYS 278 Cb 0.44 -1.80 0.42 0.00 0.00 0.00 0.00 35.03 34.09 1aek n LYS 278 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1aek n ASP 279 N -2.09 1.46 -4.77 3.14 5.75 -1.26 -4.92 116.55 113.86 1aek n ASP 279 Ca 0.02 -1.64 -0.35 0.00 -0.01 0.00 0.00 54.79 52.80 1aek n ASP 279 Cb 0.20 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1aek n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aek s ALA 280 N -1.84 2.74 0.69 2.12 0.00 -0.06 -5.00 121.76 120.41 1aek s ALA 280 Ca 0.33 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 1aek s ALA 280 Cb 0.17 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.94 1aek s ALA 280 CO 0.27 -0.76 1.21 -1.25 0.00 0.00 0.00 175.76 175.23 1aek s PRO 281 N -3.19 2.41 0.96 0.00 0.04 -1.26 -5.01 135.00 128.95 1aek s PRO 281 Ca 0.71 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 63.41 1aek s PRO 281 Cb -0.25 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.51 1aek s PRO 281 CO 0.28 -1.64 0.58 0.43 0.04 0.00 0.00 177.00 176.69 1aek n SER 282 N -2.37 -1.52 -4.75 6.66 7.64 -1.26 -4.94 113.62 113.08 1aek n SER 282 Ca 0.14 0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.90 1aek n SER 282 Cb 0.50 -1.26 -0.01 0.00 -1.01 0.00 0.00 64.21 62.43 1aek n SER 282 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1aek n PRO 283 N -2.46 2.68 -2.93 1.43 -0.04 -1.26 -4.90 135.00 127.53 1aek n PRO 283 Ca 0.07 0.95 -0.39 0.00 -0.04 0.00 0.00 63.50 64.09 1aek n PRO 283 Cb 0.54 -2.71 -0.06 0.00 -0.04 0.00 0.00 33.50 31.23 1aek n PRO 283 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1aek s PHE 284 N -0.41 3.93 -0.37 0.54 0.08 0.93 -4.80 117.98 117.87 1aek s PHE 284 Ca 0.60 1.70 -0.07 0.00 0.12 0.00 0.00 56.93 59.28 1aek s PHE 284 Cb -0.49 -2.81 0.06 0.00 -0.57 0.00 0.00 43.02 39.20 1aek s PHE 284 CO 0.54 0.50 0.16 0.42 -0.10 0.00 0.00 175.22 176.74 1aek s ILE 285 N -1.16 3.82 0.18 0.64 -1.09 -1.26 -1.59 121.20 120.74 1aek s ILE 285 Ca 0.37 -1.33 -0.27 0.00 -2.23 0.00 0.00 60.65 57.19 1aek s ILE 285 Cb -0.24 -3.27 -0.08 0.00 -1.58 0.00 0.00 42.46 37.29 1aek s ILE 285 CO 0.28 -0.34 0.84 -0.36 -1.23 0.00 0.00 174.94 174.13 1aek s PHE 286 N 1.37 3.92 0.42 3.97 0.08 -1.26 -5.05 117.98 121.43 1aek s PHE 286 Ca 0.01 1.73 -0.23 0.00 0.12 0.00 0.00 56.93 58.55 1aek s PHE 286 Cb -0.21 -2.85 -0.09 0.00 -0.57 0.00 0.00 43.02 39.30 1aek s PHE 286 CO 0.02 0.47 1.07 0.15 -0.10 0.00 0.00 175.22 176.83 1aek s LYS 287 N -1.04 4.05 0.68 0.44 1.02 -1.26 -5.00 119.74 118.63 1aek s LYS 287 Ca 0.38 1.56 -0.11 0.00 0.02 0.00 0.00 55.97 57.82 1aek s LYS 287 Cb -0.24 -2.48 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1aek s LYS 287 CO 0.28 -0.25 1.07 0.95 -0.92 0.00 0.00 175.35 176.48 1aek s THR 288 N -1.66 3.94 0.29 2.17 -4.23 -1.26 -4.92 115.64 109.97 1aek s THR 288 Ca 0.60 0.63 0.03 0.00 -1.18 0.00 0.00 61.69 61.77 1aek s THR 288 Cb -0.23 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 70.28 1aek s THR 288 CO 0.28 -0.82 1.79 -0.07 -0.54 0.00 0.00 174.62 175.26 1aek h LEU 289 N -0.55 0.78 -0.35 4.79 3.38 -1.97 -1.57 115.31 119.82 1aek h LEU 289 Ca -0.45 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1aek h LEU 289 Cb 1.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1aek h LEU 289 CO 0.63 0.33 0.21 -0.08 0.09 0.00 0.00 178.44 179.62 1aek h GLU 290 N 0.81 0.47 0.00 1.13 4.81 -1.93 0.11 114.58 119.98 1aek h GLU 290 Ca 0.53 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1aek h GLU 290 Cb 0.71 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1aek h GLU 290 CO -0.34 0.36 -0.05 0.93 -0.73 0.00 0.00 179.01 179.18 1aek h GLU 291 N 0.45 0.00 -0.00 1.92 5.08 -1.68 -2.06 114.58 118.29 1aek h GLU 291 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1aek h GLU 291 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1aek h GLU 291 CO -0.02 0.05 -0.39 1.04 -1.00 0.00 0.00 179.01 178.69 1aek n GLN 292 N -3.21 0.17 -1.52 2.33 6.02 -0.12 -4.95 117.38 116.10 1aek n GLN 292 Ca -0.00 -0.09 -0.12 0.00 -0.01 0.00 0.00 57.00 56.77 1aek n GLN 292 Cb 0.27 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.99 1aek n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aek n GLY 293 N 1.46 1.08 0.57 1.08 0.00 0.20 -5.06 105.19 104.51 1aek n GLY 293 Ca 0.07 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1aek n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36