#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jey s ARG 35 N 0.00 3.29 0.58 1.61 0.52 -1.25 -4.93 118.95 118.78 1jey s ARG 35 Ca 0.00 -0.68 -0.14 0.00 -0.52 0.00 0.00 55.73 54.40 1jey s ARG 35 Cb 0.00 -2.99 -0.05 0.00 0.52 0.00 0.00 34.95 32.43 1jey s ARG 35 CO 0.00 -0.22 1.02 -0.51 0.02 0.00 0.00 175.30 175.60 1jey s ASP 36 N 1.45 6.30 -0.08 0.23 1.01 -1.26 -2.15 116.67 122.17 1jey s ASP 36 Ca 0.05 1.52 0.03 0.00 0.71 0.00 0.00 52.55 54.87 1jey s ASP 36 Cb -0.14 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.30 1jey s ASP 36 CO -0.04 -0.81 -0.19 -0.44 0.21 0.00 0.00 175.17 173.90 1jey s SER 37 N -3.61 2.50 -0.10 0.27 0.01 0.14 -1.83 113.70 111.07 1jey s SER 37 Ca 0.57 -0.44 -0.00 0.00 1.31 0.00 0.00 55.95 57.39 1jey s SER 37 Cb -0.11 -1.13 0.02 0.00 0.21 0.00 0.00 66.02 65.02 1jey s SER 37 CO 0.44 0.11 -0.07 -0.22 0.41 0.00 0.00 173.24 173.91 1jey s LEU 38 N 0.46 1.13 -0.20 2.44 2.96 -0.72 -0.41 118.68 124.34 1jey s LEU 38 Ca -0.16 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 1jey s LEU 38 Cb -0.17 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 1jey s LEU 38 CO 0.06 -0.12 0.02 -0.63 -1.32 0.00 0.00 176.35 174.36 1jey s ILE 39 N 1.68 4.18 -0.27 6.68 1.01 0.00 -1.69 121.20 132.79 1jey s ILE 39 Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 1jey s ILE 39 Cb -0.13 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1jey s ILE 39 CO -0.07 0.43 0.38 -0.36 0.00 0.00 0.00 174.94 175.32 1jey s PHE 40 N 0.84 3.24 -0.25 3.97 0.40 0.33 -1.01 117.98 125.49 1jey s PHE 40 Ca 0.01 0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.69 1jey s PHE 40 Cb -0.14 -2.59 0.01 0.00 0.51 0.00 0.00 43.02 40.81 1jey s PHE 40 CO 0.02 -0.25 -0.01 -1.17 0.70 0.00 0.00 175.22 174.51 1jey s LEU 41 N 2.08 3.25 -0.13 -0.37 2.96 0.11 -0.74 118.68 125.84 1jey s LEU 41 Ca 0.15 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1jey s LEU 41 Cb -0.16 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 1jey s LEU 41 CO 0.10 -0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.20 1jey s VAL 42 N 1.44 2.96 0.13 1.68 1.01 0.26 -0.53 120.40 127.35 1jey s VAL 42 Ca 0.03 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1jey s VAL 42 Cb -0.16 -2.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.92 1jey s VAL 42 CO -0.02 0.53 1.18 -0.62 0.00 0.00 0.00 175.10 176.17 1jey s ASP 43 N 0.34 7.12 -0.18 3.32 2.15 -0.57 -1.93 116.67 126.93 1jey s ASP 43 Ca -0.12 2.11 0.16 0.00 0.43 0.00 0.00 52.55 55.14 1jey s ASP 43 Cb -0.16 -2.59 0.46 0.00 -0.30 0.00 0.00 42.92 40.32 1jey s ASP 43 CO 0.06 -0.38 1.35 0.00 -0.17 0.00 0.00 175.17 176.02 1jey n ALA 44 N 3.10 2.93 -0.83 3.66 0.00 0.30 -4.85 120.51 124.83 1jey n ALA 44 Ca 0.06 -2.51 -0.30 0.00 0.00 0.00 0.00 53.44 50.69 1jey n ALA 44 Cb 0.46 -0.62 0.18 0.00 0.00 0.00 0.00 19.45 19.47 1jey n ALA 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jey s SER 45 N -2.29 2.61 0.24 0.00 0.01 -1.26 -1.41 113.70 111.60 1jey s SER 45 Ca 0.40 1.79 -0.05 0.00 1.31 0.00 0.00 55.95 59.40 1jey s SER 45 Cb 0.33 -2.39 0.46 0.00 0.21 0.00 0.00 66.02 64.64 1jey s SER 45 CO 0.06 -3.23 1.70 0.50 0.41 0.00 0.00 173.24 172.68 1jey h LYS 46 N -1.95 0.33 0.00 12.44 3.64 -1.91 -1.70 116.57 127.41 1jey h LYS 46 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1jey h LYS 46 Cb 1.29 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1jey h LYS 46 CO 0.48 0.22 0.00 0.00 -2.27 0.00 0.00 179.45 177.88 1jey h ALA 47 N 1.58 1.00 0.00 5.00 0.00 -1.95 -2.64 119.26 122.25 1jey h ALA 47 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1jey h ALA 47 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jey h ALA 47 CO -0.46 0.00 -0.03 0.52 0.00 0.00 0.00 179.25 179.28 1jey h MET 48 N 0.00 0.00 -0.52 0.00 2.86 -1.63 -2.87 114.93 112.76 1jey h MET 48 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jey h MET 48 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1jey h MET 48 CO 0.00 0.03 0.00 1.19 1.06 0.00 0.00 176.91 179.19 1jey n PHE 49 N -3.12 1.64 -4.00 -0.22 3.01 -0.99 -0.98 117.46 112.80 1jey n PHE 49 Ca 0.01 -0.72 -0.34 0.00 1.01 0.00 0.00 57.45 57.41 1jey n PHE 49 Cb 0.36 -0.39 -0.15 0.00 -0.01 0.00 0.00 39.48 39.30 1jey n PHE 49 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1jey s GLU 50 N -2.48 3.13 0.54 -1.08 2.02 -1.09 -4.95 118.70 114.80 1jey s GLU 50 Ca 0.50 -0.77 0.32 0.00 0.02 0.00 0.00 54.97 55.05 1jey s GLU 50 Cb 0.37 -2.84 1.42 0.00 0.10 0.00 0.00 34.13 33.18 1jey s GLU 50 CO 0.17 -0.24 2.02 0.66 0.02 0.00 0.00 175.26 177.89 1jey h SER 51 N 8.03 0.00 -0.21 -0.19 4.64 -1.87 -3.40 113.55 120.55 1jey h SER 51 Ca -0.42 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 1jey h SER 51 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1jey h SER 51 CO 0.61 0.07 -0.04 0.00 -0.87 0.00 0.00 176.83 176.60 1jey n GLN 52 N -3.24 -0.12 -2.80 4.77 6.02 -1.26 -4.42 117.38 116.33 1jey n GLN 52 Ca -0.00 0.07 -0.06 0.00 -0.01 0.00 0.00 57.00 56.99 1jey n GLN 52 Cb 0.29 -3.65 0.01 0.00 1.02 0.00 0.00 30.24 27.91 1jey n GLN 52 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1jey n SER 53 N 1.72 -7.86 -2.26 1.08 3.41 -1.26 -5.08 113.62 103.38 1jey n SER 53 Ca -0.02 0.69 -0.07 0.00 -0.26 0.00 0.00 58.87 59.22 1jey n SER 53 Cb 0.51 -5.31 0.02 0.00 -0.26 0.00 0.00 64.21 59.17 1jey n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jey n GLU 54 N -0.12 0.75 -1.23 4.33 1.02 -1.26 -5.01 120.64 119.13 1jey n GLU 54 Ca 0.10 -1.60 -0.24 0.00 -0.02 0.00 0.00 57.16 55.39 1jey n GLU 54 Cb 0.37 1.93 0.17 0.00 -0.02 0.00 0.00 31.44 33.89 1jey n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jey n ASP 55 N -1.42 4.00 -4.47 1.62 8.00 -1.26 -4.93 116.55 118.09 1jey n ASP 55 Ca -0.05 -3.63 -0.24 0.00 0.71 0.00 0.00 54.79 51.58 1jey n ASP 55 Cb 0.41 -0.84 -0.10 0.00 -0.02 0.00 0.00 41.12 40.57 1jey n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1jey s GLU 56 N -3.34 1.67 0.81 -1.24 2.56 -1.26 -5.14 118.70 112.76 1jey s GLU 56 Ca 0.57 -1.76 -0.11 0.00 0.00 0.00 0.00 54.97 53.67 1jey s GLU 56 Cb 0.48 -1.76 0.08 0.00 2.00 0.00 0.00 34.13 34.93 1jey s GLU 56 CO 0.10 0.33 1.10 -0.51 -0.56 0.00 0.00 175.26 175.71 1jey s LEU 57 N -3.48 2.56 0.64 2.70 1.43 -1.26 -4.86 118.68 116.41 1jey s LEU 57 Ca 0.30 1.32 -0.14 0.00 -1.03 0.00 0.00 54.13 54.58 1jey s LEU 57 Cb -0.05 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 1jey s LEU 57 CO 0.15 -2.05 1.06 0.42 0.23 0.00 0.00 176.35 176.16 1jey s THR 58 N -3.13 3.90 0.46 5.49 -4.23 -1.26 -4.75 115.64 112.11 1jey s THR 58 Ca 0.61 0.77 0.16 0.00 -1.18 0.00 0.00 61.69 62.05 1jey s THR 58 Cb -0.15 -3.38 0.33 0.00 1.34 0.00 0.00 72.50 70.65 1jey s THR 58 CO 0.54 -0.66 2.00 1.55 -0.54 0.00 0.00 174.62 177.52 1jey h PRO 59 N -0.08 0.27 0.00 3.99 0.13 -1.73 -1.29 132.00 133.28 1jey h PRO 59 Ca -0.45 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1jey h PRO 59 Cb 1.22 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jey h PRO 59 CO 0.57 0.18 -0.00 0.35 -0.23 0.00 0.00 178.00 178.87 1jey h PHE 60 N 0.28 -0.00 -0.79 1.56 3.57 -1.41 -1.03 116.94 119.11 1jey h PHE 60 Ca 0.24 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.74 1jey h PHE 60 Cb 0.57 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1jey h PHE 60 CO -0.00 0.27 0.52 0.22 -2.23 0.00 0.00 178.31 177.08 1jey h ASP 61 N -0.27 0.92 -0.39 0.41 1.82 -1.69 0.44 116.42 117.66 1jey h ASP 61 Ca -0.00 -0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1jey h ASP 61 Cb 0.27 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.01 1jey h ASP 61 CO 0.00 0.67 0.15 -0.03 -1.61 0.00 0.00 179.24 178.43 1jey h MET 62 N 1.08 0.31 0.12 0.28 4.05 -1.17 -0.85 114.93 118.74 1jey h MET 62 Ca 0.29 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1jey h MET 62 Cb -0.11 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 1jey h MET 62 CO -0.06 0.21 -0.06 0.77 0.23 0.00 0.00 176.91 178.00 1jey h SER 63 N 0.32 -0.13 0.19 1.39 0.02 -0.31 -1.13 113.55 113.89 1jey h SER 63 Ca 0.18 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1jey h SER 63 Cb 0.14 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1jey h SER 63 CO -0.16 0.05 -0.27 0.40 -1.14 0.00 0.00 176.83 175.70 1jey h ILE 64 N -0.31 0.41 -0.79 3.27 1.08 -0.83 -1.06 117.51 119.28 1jey h ILE 64 Ca -0.02 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.54 1jey h ILE 64 Cb 0.26 0.41 -0.05 0.00 -3.07 0.00 0.00 36.82 34.36 1jey h ILE 64 CO 0.03 0.00 0.52 1.56 -0.69 0.00 0.00 178.15 179.56 1jey h GLN 65 N -0.53 0.73 -0.19 2.37 4.20 -1.13 -1.06 115.11 119.50 1jey h GLN 65 Ca 0.01 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1jey h GLN 65 Cb 0.52 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1jey h GLN 65 CO -0.11 0.48 -0.47 0.00 -0.67 0.00 0.00 178.83 178.06 1jey h ILE 67 N 0.38 1.28 -0.45 0.00 2.04 -0.13 -2.75 117.51 117.88 1jey h ILE 67 Ca 0.02 -1.63 0.03 0.00 1.00 0.00 0.00 64.86 64.28 1jey h ILE 67 Cb 0.96 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 1jey h ILE 67 CO 0.08 0.53 0.24 1.56 0.00 0.00 0.00 178.15 180.57 1jey h GLN 68 N 0.63 0.46 -0.45 2.37 4.20 -1.17 -1.47 115.11 119.68 1jey h GLN 68 Ca 0.03 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1jey h GLN 68 Cb 1.05 -0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.64 1jey h GLN 68 CO 0.10 0.31 -0.13 0.77 -0.67 0.00 0.00 178.83 179.21 1jey h SER 69 N 0.48 -0.48 -0.58 1.46 0.02 -1.29 0.21 113.55 113.38 1jey h SER 69 Ca 0.19 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1jey h SER 69 Cb 0.07 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1jey h SER 69 CO -0.12 -0.17 0.16 0.58 -1.14 0.00 0.00 176.83 176.15 1jey h VAL 70 N -0.03 1.24 -0.04 2.27 2.07 -1.18 0.10 116.25 120.68 1jey h VAL 70 Ca 0.22 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1jey h VAL 70 Cb 0.36 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1jey h VAL 70 CO -0.48 0.32 0.03 1.88 0.02 0.00 0.00 177.57 179.34 1jey h TYR 71 N 0.91 0.05 -0.42 1.57 -1.99 0.03 -1.05 116.97 116.07 1jey h TYR 71 Ca 0.20 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.84 1jey h TYR 71 Cb 0.30 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1jey h TYR 71 CO 0.02 0.03 -0.08 0.82 -0.00 0.00 0.00 178.16 178.95 1jey h ILE 72 N 0.05 1.27 -0.72 -2.88 2.04 -0.20 -2.61 117.51 114.47 1jey h ILE 72 Ca 0.01 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1jey h ILE 72 Cb -0.00 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1jey h ILE 72 CO -0.00 0.39 0.31 0.28 0.00 0.00 0.00 178.15 179.13 1jey h SER 73 N 0.62 0.95 0.21 1.72 0.02 -0.76 0.94 113.55 117.25 1jey h SER 73 Ca 0.11 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1jey h SER 73 Cb 0.60 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1jey h SER 73 CO 0.04 0.83 -0.09 0.11 -1.14 0.00 0.00 176.83 176.58 1jey h LYS 74 N 1.03 0.00 0.13 3.45 1.79 -1.03 -1.67 116.57 120.27 1jey h LYS 74 Ca 0.24 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.50 1jey h LYS 74 Cb 0.16 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1jey h LYS 74 CO -0.03 0.09 -1.01 0.82 -1.08 0.00 0.00 179.45 178.24 1jey h ILE 75 N 0.00 1.35 -0.91 1.86 2.04 -0.71 0.38 117.51 121.52 1jey h ILE 75 Ca -0.00 -2.49 0.16 0.00 1.00 0.00 0.00 64.86 63.52 1jey h ILE 75 Cb 0.22 3.04 -0.07 0.00 -0.74 0.00 0.00 36.82 39.26 1jey h ILE 75 CO 0.01 0.71 0.59 0.40 0.00 0.00 0.00 178.15 179.86 1jey h ILE 76 N -0.35 0.80 -0.64 -0.67 1.08 -0.25 -1.64 117.51 115.83 1jey h ILE 76 Ca -0.20 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1jey h ILE 76 Cb 1.68 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1jey h ILE 76 CO 0.12 0.12 0.00 -1.54 -0.69 0.00 0.00 178.15 176.16 1jey n SER 77 N -4.58 4.54 -3.84 1.72 3.41 -0.69 -4.89 113.62 109.29 1jey n SER 77 Ca 0.18 -2.37 -0.26 0.00 -0.26 0.00 0.00 58.87 56.16 1jey n SER 77 Cb 0.51 -0.55 0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1jey n SER 77 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jey n SER 78 N 1.15 -2.66 -4.74 4.04 7.64 -0.62 -4.92 113.62 113.50 1jey n SER 78 Ca 0.25 -0.83 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 1jey n SER 78 Cb 0.83 -3.80 -0.04 0.00 -1.01 0.00 0.00 64.21 60.18 1jey n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1jey s ASP 79 N -3.88 7.38 0.00 6.43 2.15 0.11 -4.95 116.67 123.92 1jey s ASP 79 Ca 0.31 2.02 0.18 0.00 0.43 0.00 0.00 52.55 55.49 1jey s ASP 79 Cb -0.16 -2.60 0.51 0.00 -0.30 0.00 0.00 42.92 40.37 1jey s ASP 79 CO 0.83 -0.11 1.43 0.54 -0.17 0.00 0.00 175.17 177.69 1jey n ARG 80 N 2.17 2.30 -1.24 4.34 1.74 -1.26 -4.86 116.66 119.85 1jey n ARG 80 Ca 0.01 -2.01 -0.32 0.00 -0.77 0.00 0.00 57.85 54.77 1jey n ARG 80 Cb 0.47 -1.45 0.10 0.00 -1.02 0.00 0.00 32.46 30.56 1jey n ARG 80 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jey s ASP 81 N -1.09 4.19 -0.16 0.55 1.01 -1.26 -4.75 116.67 115.16 1jey s ASP 81 Ca 0.38 2.02 -0.07 0.00 0.71 0.00 0.00 52.55 55.58 1jey s ASP 81 Cb 0.20 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1jey s ASP 81 CO 0.26 -2.25 0.09 -0.76 0.21 0.00 0.00 175.17 172.72 1jey s LEU 82 N -5.79 4.02 0.11 1.23 1.43 -0.76 -4.54 118.68 114.38 1jey s LEU 82 Ca 0.65 0.22 0.08 0.00 -1.03 0.00 0.00 54.13 54.06 1jey s LEU 82 Cb -0.21 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1jey s LEU 82 CO 0.52 0.26 -0.16 -0.76 0.23 0.00 0.00 176.35 176.44 1jey s LEU 83 N -0.13 2.80 0.03 1.79 1.43 -0.29 -1.75 118.68 122.56 1jey s LEU 83 Ca 0.08 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1jey s LEU 83 Cb -0.12 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1jey s LEU 83 CO 0.01 0.18 -0.03 0.00 0.23 0.00 0.00 176.35 176.73 1jey s ALA 84 N -1.16 0.28 -0.17 4.21 0.00 -0.68 -1.90 121.76 122.33 1jey s ALA 84 Ca 0.19 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1jey s ALA 84 Cb -0.11 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.24 1jey s ALA 84 CO 0.11 -0.21 0.01 0.08 0.00 0.00 0.00 175.76 175.74 1jey s VAL 85 N -2.21 0.68 0.06 0.00 1.01 0.69 -0.52 120.40 120.11 1jey s VAL 85 Ca -0.08 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1jey s VAL 85 Cb -0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1jey s VAL 85 CO -0.04 -0.06 -0.23 -0.69 0.00 0.00 0.00 175.10 174.08 1jey s VAL 86 N 1.80 1.88 0.06 2.92 1.01 0.08 -0.75 120.40 127.41 1jey s VAL 86 Ca 0.00 -1.34 0.06 0.00 0.00 0.00 0.00 61.98 60.70 1jey s VAL 86 Cb -0.16 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1jey s VAL 86 CO -0.07 0.23 -0.17 -0.36 0.00 0.00 0.00 175.10 174.73 1jey s PHE 87 N -0.85 1.48 0.03 5.22 0.40 -0.17 -0.57 117.98 123.51 1jey s PHE 87 Ca 0.09 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1jey s PHE 87 Cb -0.09 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.57 1jey s PHE 87 CO 0.02 0.09 -0.04 1.52 0.70 0.00 0.00 175.22 177.52 1jey s TYR 88 N -1.03 0.35 0.00 0.36 -0.85 -0.81 0.74 117.35 116.12 1jey s TYR 88 Ca 0.03 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 55.97 1jey s TYR 88 Cb -0.09 -0.25 0.00 0.00 0.38 0.00 0.00 41.96 42.00 1jey s TYR 88 CO 0.02 -0.20 0.00 0.41 -1.52 0.00 0.00 175.55 174.26 1jey n GLY 89 N 1.35 0.71 3.87 5.49 0.00 -0.10 -0.54 105.19 115.97 1jey n GLY 89 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1jey n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jey s THR 90 N -2.27 4.72 0.14 2.61 -4.23 -1.22 0.64 115.64 116.02 1jey s THR 90 Ca 0.00 0.82 0.08 0.00 -1.18 0.00 0.00 61.69 61.40 1jey s THR 90 Cb 0.00 -3.85 -0.18 0.00 1.34 0.00 0.00 72.50 69.80 1jey s THR 90 CO 0.00 -1.06 1.32 -0.08 -0.54 0.00 0.00 174.62 174.26 1jey h GLU 91 N -0.11 0.00 -5.87 3.99 4.81 -1.36 -3.37 114.58 112.67 1jey h GLU 91 Ca -0.45 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.15 1jey h GLU 91 Cb 1.19 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 1jey h GLU 91 CO 0.62 0.95 -0.39 0.21 -0.73 0.00 0.00 179.01 179.67 1jey s LYS 92 N -2.83 3.58 0.12 1.92 2.20 -0.31 -4.67 119.74 119.75 1jey s LYS 92 Ca 0.01 -0.05 0.10 0.00 -0.36 0.00 0.00 55.97 55.67 1jey s LYS 92 Cb 0.10 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1jey s LYS 92 CO 0.81 0.67 -0.26 0.16 -0.36 0.00 0.00 175.35 176.38 1jey s ASP 93 N -1.56 3.17 -0.34 1.43 -4.77 -1.26 -4.03 116.67 109.31 1jey s ASP 93 Ca 0.25 -0.73 0.05 0.00 -3.30 0.00 0.00 52.55 48.82 1jey s ASP 93 Cb -0.13 -0.21 0.17 0.00 -1.09 0.00 0.00 42.92 41.66 1jey s ASP 93 CO 0.14 0.16 0.51 -0.75 0.70 0.00 0.00 175.17 175.93 1jey s LYS 94 N -2.00 0.61 0.02 2.11 2.20 0.13 -4.93 119.74 117.87 1jey s LYS 94 Ca 0.13 -0.08 -0.28 0.00 -0.36 0.00 0.00 55.97 55.38 1jey s LYS 94 Cb -0.10 -0.14 0.08 0.00 -1.51 0.00 0.00 37.83 36.16 1jey s LYS 94 CO 0.06 -1.12 0.72 0.54 -0.36 0.00 0.00 175.35 175.19 1jey s ASN 95 N 2.20 -0.55 0.56 1.43 2.20 -1.26 -1.20 114.94 118.31 1jey s ASN 95 Ca 0.13 0.33 0.27 0.00 -0.94 0.00 0.00 52.86 52.65 1jey s ASN 95 Cb -0.10 0.51 1.48 0.00 -2.00 0.00 0.00 41.25 41.15 1jey s ASN 95 CO -0.17 -0.71 2.00 0.77 -2.94 0.00 0.00 177.10 176.05 1jey h SER 96 N 2.46 0.00 -0.12 3.54 4.64 -1.99 -1.62 113.55 120.47 1jey h SER 96 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1jey h SER 96 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1jey h SER 96 CO 0.37 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.66 1jey n VAL 97 N -4.06 0.13 -2.40 0.95 0.24 -1.26 -4.96 118.33 106.96 1jey n VAL 97 Ca 0.07 -0.49 -0.20 0.00 -2.04 0.00 0.00 64.34 61.68 1jey n VAL 97 Cb 0.55 1.10 -0.01 0.00 -1.47 0.00 0.00 33.84 34.01 1jey n VAL 97 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1jey n ASN 98 N 1.08 -5.69 -4.77 -1.34 3.02 -0.61 -4.96 115.26 101.99 1jey n ASN 98 Ca 0.16 -0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.29 1jey n ASN 98 Cb 0.53 -4.71 -0.01 0.00 -0.61 0.00 0.00 39.78 34.98 1jey n ASN 98 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1jey s PHE 99 N -3.00 2.92 0.41 3.10 2.99 -1.26 -4.96 117.98 118.18 1jey s PHE 99 Ca 0.01 1.43 -0.22 0.00 0.00 0.00 0.00 56.93 58.14 1jey s PHE 99 Cb -0.00 -3.65 -0.10 0.00 0.00 0.00 0.00 43.02 39.27 1jey s PHE 99 CO 0.01 -1.94 0.97 0.15 -0.00 0.00 0.00 175.22 174.42 1jey s LYS 100 N -2.09 4.24 -1.43 0.44 1.02 -1.26 -4.11 119.74 116.55 1jey s LYS 100 Ca 0.54 1.25 -0.03 0.00 0.02 0.00 0.00 55.97 57.75 1jey s LYS 100 Cb -0.38 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1jey s LYS 100 CO 0.49 -0.03 0.40 0.09 -0.92 0.00 0.00 175.35 175.38 1jey n ASN 101 N -0.36 -5.54 -3.90 2.83 4.13 -1.26 -4.80 115.26 106.35 1jey n ASN 101 Ca 0.06 -0.19 -0.23 0.00 1.68 0.00 0.00 54.58 55.89 1jey n ASN 101 Cb 0.52 -4.43 -0.17 0.00 -1.54 0.00 0.00 39.78 34.16 1jey n ASN 101 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1jey s ILE 102 N -3.06 0.77 -0.25 2.41 1.01 -1.26 -0.93 121.20 119.90 1jey s ILE 102 Ca 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1jey s ILE 102 Cb -0.09 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.65 1jey s ILE 102 CO 0.25 0.30 -0.09 -0.47 0.00 0.00 0.00 174.94 174.92 1jey s TYR 103 N 1.25 2.93 -0.84 3.97 5.04 0.23 0.17 117.35 130.09 1jey s TYR 103 Ca -0.05 -2.10 -0.22 0.00 -2.44 0.00 0.00 57.07 52.27 1jey s TYR 103 Cb -0.14 -1.80 0.08 0.00 0.35 0.00 0.00 41.96 40.46 1jey s TYR 103 CO -0.02 -0.84 1.17 0.08 -1.34 0.00 0.00 175.55 174.60 1jey s VAL 104 N 1.22 4.29 0.02 3.14 1.01 -0.34 -1.00 120.40 128.74 1jey s VAL 104 Ca -0.08 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1jey s VAL 104 Cb -0.19 -4.83 -0.18 0.00 0.00 0.00 0.00 36.38 31.17 1jey s VAL 104 CO -0.06 -1.64 1.40 0.25 0.00 0.00 0.00 175.10 175.05 1jey h LEU 105 N 11.57 -0.08 -7.48 3.92 5.85 -1.25 -3.43 115.31 124.41 1jey h LEU 105 Ca -0.02 -0.28 -0.49 0.00 0.84 0.00 0.00 57.88 57.93 1jey h LEU 105 Cb 1.04 0.02 -0.38 0.00 0.37 0.00 0.00 40.66 41.71 1jey h LEU 105 CO 1.23 0.25 -0.77 -1.10 -0.34 0.00 0.00 178.44 177.70 1jey s GLN 106 N -4.89 0.87 0.96 1.25 -0.21 -0.66 -4.95 119.66 112.03 1jey s GLN 106 Ca -0.15 -0.15 -0.12 0.00 0.02 0.00 0.00 55.36 54.96 1jey s GLN 106 Cb 0.03 -1.47 0.17 0.00 1.00 0.00 0.00 33.01 32.73 1jey s GLN 106 CO 0.64 -0.40 1.09 -1.21 -2.12 0.00 0.00 175.29 173.30 1jey s GLU 107 N 1.86 0.71 0.02 2.91 2.02 -1.26 -0.22 118.70 124.75 1jey s GLU 107 Ca 0.03 0.76 -0.30 0.00 0.02 0.00 0.00 54.97 55.48 1jey s GLU 107 Cb -0.14 -1.75 -0.08 0.00 0.10 0.00 0.00 34.13 32.26 1jey s GLU 107 CO -0.07 -2.60 1.90 -0.51 0.02 0.00 0.00 175.26 174.00 1jey s LEU 108 N -6.44 4.41 0.10 1.80 1.43 -1.26 -4.46 118.68 114.27 1jey s LEU 108 Ca 0.65 2.59 -0.26 0.00 -1.03 0.00 0.00 54.13 56.08 1jey s LEU 108 Cb -0.19 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.57 1jey s LEU 108 CO 0.58 -1.03 1.02 -0.62 0.23 0.00 0.00 176.35 176.53 1jey s ASP 109 N 4.15 -0.17 0.29 2.29 2.15 -0.80 -4.89 116.67 119.69 1jey s ASP 109 Ca 0.85 -0.32 -0.29 0.00 0.43 0.00 0.00 52.55 53.22 1jey s ASP 109 Cb -0.41 0.41 -0.10 0.00 -0.30 0.00 0.00 42.92 42.53 1jey s ASP 109 CO 0.39 -0.76 1.30 0.20 -0.17 0.00 0.00 175.17 176.13 1jey s ASN 110 N -2.90 6.83 0.79 -0.34 0.01 -1.26 -1.14 114.94 116.94 1jey s ASN 110 Ca 0.12 2.59 -0.11 0.00 -0.71 0.00 0.00 52.86 54.75 1jey s ASN 110 Cb -0.00 -2.64 0.07 0.00 0.41 0.00 0.00 41.25 39.09 1jey s ASN 110 CO 0.00 -0.51 1.12 -2.16 -1.51 0.00 0.00 177.10 174.04 1jey s PRO 111 N -1.31 1.98 0.24 -0.60 0.04 -1.26 -4.93 135.00 129.16 1jey s PRO 111 Ca 0.51 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 1jey s PRO 111 Cb -0.39 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1jey s PRO 111 CO 0.48 -1.88 0.42 0.41 0.04 0.00 0.00 177.00 176.48 1jey n GLY 112 N -0.63 1.84 0.14 0.56 0.00 -1.26 -5.04 105.19 100.80 1jey n GLY 112 Ca 0.10 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1jey n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jey h ALA 113 N 1.92 -0.27 -0.79 4.61 0.00 -1.96 -2.72 119.26 120.05 1jey h ALA 113 Ca -0.20 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1jey h ALA 113 Cb 0.79 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1jey h ALA 113 CO 0.26 -0.55 0.50 0.87 0.00 0.00 0.00 179.25 180.34 1jey h LYS 114 N -0.48 0.95 -0.66 0.00 1.57 -1.98 0.53 116.57 116.50 1jey h LYS 114 Ca -0.03 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1jey h LYS 114 Cb 0.36 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1jey h LYS 114 CO 0.05 0.63 0.18 0.00 -0.57 0.00 0.00 179.45 179.74 1jey h ARG 115 N 0.98 1.03 -0.23 3.15 3.08 -1.97 0.85 114.38 121.28 1jey h ARG 115 Ca 0.32 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1jey h ARG 115 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1jey h ARG 115 CO -0.12 0.90 -0.05 0.82 -1.07 0.00 0.00 179.97 180.45 1jey h ILE 116 N 0.99 1.28 -0.89 2.04 2.04 -1.11 -2.48 117.51 119.38 1jey h ILE 116 Ca 0.21 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 65.08 1jey h ILE 116 Cb 0.32 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1jey h ILE 116 CO -0.00 0.32 0.58 0.25 0.00 0.00 0.00 178.15 179.30 1jey h LEU 117 N 0.17 0.93 -0.62 1.44 5.85 -0.54 -2.00 115.31 120.54 1jey h LEU 117 Ca 0.06 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1jey h LEU 117 Cb 0.51 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1jey h LEU 117 CO 0.02 0.62 0.31 -0.08 -0.34 0.00 0.00 178.44 178.97 1jey h GLU 118 N 1.07 0.88 -0.15 1.25 4.81 -0.62 -2.40 114.58 119.42 1jey h GLU 118 Ca 0.37 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1jey h GLU 118 Cb 0.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1jey h GLU 118 CO -0.12 0.69 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.65 1jey h LEU 119 N 0.84 0.22 -1.62 1.64 3.38 -0.92 -2.12 115.31 116.73 1jey h LEU 119 Ca 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1jey h LEU 119 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jey h LEU 119 CO -0.03 0.37 0.00 -0.78 0.09 0.00 0.00 178.44 178.09 1jey h ASP 120 N 0.22 0.00 0.77 -0.43 3.58 -0.90 -2.37 116.42 117.29 1jey h ASP 120 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1jey h ASP 120 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1jey h ASP 120 CO 0.02 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.38 1jey n GLN 121 N -2.75 0.13 -0.15 0.28 1.13 -0.80 -2.53 117.38 112.69 1jey n GLN 121 Ca -0.00 0.32 0.06 0.00 -1.94 0.00 0.00 57.00 55.43 1jey n GLN 121 Cb 0.19 -1.72 0.14 0.00 0.11 0.00 0.00 30.24 28.95 1jey n GLN 121 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1jey n PHE 122 N -1.96 0.39 -2.72 1.08 0.99 -0.89 -4.14 117.46 110.21 1jey n PHE 122 Ca 0.03 -0.42 -0.40 0.00 -0.00 0.00 0.00 57.45 56.66 1jey n PHE 122 Cb 0.24 -0.02 -0.06 0.00 -1.00 0.00 0.00 39.48 38.64 1jey n PHE 122 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1jey s LYS 123 N -0.99 4.81 1.60 -1.08 2.20 -1.05 -3.90 119.74 121.34 1jey s LYS 123 Ca 0.22 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 1jey s LYS 123 Cb 0.12 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1jey s LYS 123 CO 0.15 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 176.02 1jey n GLY 124 N 1.40 -1.39 0.21 5.54 0.00 -1.26 -1.84 105.19 107.84 1jey n GLY 124 Ca -0.02 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.76 1jey n GLY 124 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jey h GLN 125 N 0.00 0.41 -0.12 1.61 4.15 -2.00 -1.92 115.11 117.25 1jey h GLN 125 Ca 0.00 -0.21 -0.15 0.00 0.77 0.00 0.00 58.65 59.06 1jey h GLN 125 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1jey h GLN 125 CO 0.00 0.76 -0.58 1.96 -1.93 0.00 0.00 178.83 179.04 1jey h GLN 126 N 0.34 0.37 -0.48 1.69 7.50 -1.95 -2.97 115.11 119.60 1jey h GLN 126 Ca 0.03 -0.24 -0.03 0.00 0.50 0.00 0.00 58.65 58.91 1jey h GLN 126 Cb 0.88 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.42 1jey h GLN 126 CO 0.07 0.85 0.20 0.78 -1.50 0.00 0.00 178.83 179.23 1jey h GLY 127 N 1.29 0.77 0.13 3.46 0.00 -1.09 -1.58 103.07 106.05 1jey h GLY 127 Ca -0.00 -0.41 0.16 0.00 0.00 0.00 0.00 47.33 47.08 1jey h GLY 127 CO 0.10 0.39 0.41 -1.61 0.00 0.00 0.00 176.54 175.83 1jey h GLN 128 N 0.64 0.54 -0.50 4.80 4.15 -1.20 0.15 115.11 123.69 1jey h GLN 128 Ca 0.16 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 1jey h GLN 128 Cb 0.18 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1jey h GLN 128 CO -0.01 0.36 -0.14 -0.22 -1.93 0.00 0.00 178.83 176.88 1jey h LYS 129 N 0.56 0.97 -0.18 1.69 1.63 -1.34 -1.81 116.57 118.09 1jey h LYS 129 Ca 0.48 -0.38 -0.11 0.00 -0.85 0.00 0.00 60.65 59.79 1jey h LYS 129 Cb 0.73 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 1jey h LYS 129 CO -0.40 1.05 -0.35 0.00 -3.45 0.00 0.00 179.45 176.31 1jey h ARG 130 N 0.83 0.38 0.02 1.90 3.08 0.01 -1.75 114.38 118.86 1jey h ARG 130 Ca 0.12 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1jey h ARG 130 Cb 0.71 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1jey h ARG 130 CO 0.05 0.68 -0.01 0.35 -1.07 0.00 0.00 179.97 179.97 1jey h PHE 131 N 0.32 -0.03 -0.18 3.04 3.57 -0.69 -2.13 116.94 120.84 1jey h PHE 131 Ca 0.04 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1jey h PHE 131 Cb 0.77 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1jey h PHE 131 CO 0.02 0.50 0.01 1.96 -2.23 0.00 0.00 178.31 178.57 1jey h GLN 132 N -0.58 0.25 0.00 1.11 4.20 -1.32 0.95 115.11 119.72 1jey h GLN 132 Ca -0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1jey h GLN 132 Cb 0.54 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1jey h GLN 132 CO 0.01 0.28 -0.50 -0.44 -0.67 0.00 0.00 178.83 177.50 1jey h ASP 133 N 0.25 0.00 0.80 1.46 3.32 -1.34 0.27 116.42 121.17 1jey h ASP 133 Ca 0.06 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 1jey h ASP 133 Cb 0.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1jey h ASP 133 CO 0.00 0.29 -1.31 -0.03 -1.72 0.00 0.00 179.24 176.47 1jey h MET 134 N 0.00 0.00 0.00 3.56 4.05 -0.79 -3.42 114.93 118.32 1jey h MET 134 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1jey h MET 134 Cb 1.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 1jey h MET 134 CO 0.03 0.37 -0.15 -1.33 0.23 0.00 0.00 176.91 176.07 1jey n MET 135 N -2.97 4.01 -0.05 0.39 2.81 0.27 -4.95 117.12 116.63 1jey n MET 135 Ca -0.09 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.81 1jey n MET 135 Cb 0.86 -0.48 -0.00 0.00 -0.71 0.00 0.00 33.22 32.89 1jey n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jey n GLY 136 N 0.41 -1.67 3.83 3.03 0.00 0.95 -1.16 105.19 110.58 1jey n GLY 136 Ca 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 1jey n GLY 136 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1jey s HIS 137 N -1.61 -0.05 -1.63 1.61 -3.43 -1.26 -4.00 115.29 104.92 1jey s HIS 137 Ca 0.00 -0.50 0.00 0.00 -0.80 0.00 0.00 55.06 53.76 1jey s HIS 137 Cb 0.00 0.76 0.00 0.00 -1.43 0.00 0.00 32.58 31.91 1jey s HIS 137 CO 0.00 -1.35 0.00 0.41 -2.00 0.00 0.00 174.74 171.80 1jey n GLY 138 N -0.50 0.23 3.97 -1.38 0.00 -0.50 -4.67 105.19 102.35 1jey n GLY 138 Ca -0.06 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1jey n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jey s SER 139 N -2.37 4.82 0.86 1.61 0.01 0.21 -4.81 113.70 114.02 1jey s SER 139 Ca 0.00 -0.09 -0.12 0.00 1.31 0.00 0.00 55.95 57.05 1jey s SER 139 Cb 0.00 -0.56 0.11 0.00 0.21 0.00 0.00 66.02 65.78 1jey s SER 139 CO 0.00 -1.51 1.17 -0.62 0.41 0.00 0.00 173.24 172.69 1jey s ASP 140 N -4.57 4.03 0.01 2.44 3.68 -1.26 -4.62 116.67 116.39 1jey s ASP 140 Ca 0.61 0.83 -0.29 0.00 2.13 0.00 0.00 52.55 55.83 1jey s ASP 140 Cb -0.08 -1.33 0.11 0.00 -1.45 0.00 0.00 42.92 40.17 1jey s ASP 140 CO 0.42 -2.21 1.19 -0.72 0.13 0.00 0.00 175.17 173.98 1jey s TYR 141 N -3.47 -0.08 -0.21 -5.34 -0.85 -1.26 -4.49 117.35 101.64 1jey s TYR 141 Ca 0.63 -0.07 -0.04 0.00 -0.52 0.00 0.00 57.07 57.08 1jey s TYR 141 Cb -0.12 0.57 0.07 0.00 0.38 0.00 0.00 41.96 42.86 1jey s TYR 141 CO 0.51 -0.42 0.08 -1.54 -1.52 0.00 0.00 175.55 172.66 1jey s SER 142 N -2.89 2.90 0.37 -0.18 1.04 -1.26 -5.02 113.70 108.66 1jey s SER 142 Ca 0.13 -0.90 0.26 0.00 0.48 0.00 0.00 55.95 55.92 1jey s SER 142 Cb 0.03 -0.44 1.28 0.00 0.10 0.00 0.00 66.02 66.98 1jey s SER 142 CO -0.03 -0.36 1.38 0.18 0.98 0.00 0.00 173.24 175.40 1jey n LEU 143 N 5.15 0.22 0.04 2.42 4.77 -1.26 0.10 117.00 128.44 1jey n LEU 143 Ca -0.07 1.29 -0.11 0.00 -0.03 0.00 0.00 56.01 57.09 1jey n LEU 143 Cb 0.46 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1jey n LEU 143 CO 0.10 -1.42 0.83 -1.28 -1.33 0.00 0.00 177.39 174.29 1jey h SER 144 N 0.00 -0.17 -0.78 -1.43 0.87 -1.85 0.12 113.55 110.31 1jey h SER 144 Ca 0.77 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.36 1jey h SER 144 Cb 2.36 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 64.35 1jey h SER 144 CO -0.49 -0.08 0.50 -0.33 -0.53 0.00 0.00 176.83 175.90 1jey h GLU 145 N -0.10 1.04 -0.42 2.24 5.08 -0.72 -0.95 114.58 120.75 1jey h GLU 145 Ca 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1jey h GLU 145 Cb 0.13 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1jey h GLU 145 CO -0.07 0.71 0.13 0.28 -1.00 0.00 0.00 179.01 179.06 1jey h VAL 146 N 1.07 1.22 0.00 3.13 2.07 -1.00 -2.29 116.25 120.45 1jey h VAL 146 Ca 0.29 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 1jey h VAL 146 Cb -0.09 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1jey h VAL 146 CO -0.06 0.26 -0.48 -0.07 0.02 0.00 0.00 177.57 177.24 1jey h LEU 147 N 0.55 0.00 -0.23 2.57 3.38 -0.30 -2.47 115.31 118.81 1jey h LEU 147 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1jey h LEU 147 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jey h LEU 147 CO -0.00 0.48 0.04 -0.50 0.09 0.00 0.00 178.44 178.55 1jey h TRP 148 N 0.00 0.40 -0.99 1.13 4.06 -0.95 -1.32 115.95 118.28 1jey h TRP 148 Ca -0.00 -0.06 0.02 0.00 2.06 0.00 0.00 58.89 60.91 1jey h TRP 148 Cb 0.90 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.90 1jey h TRP 148 CO 0.00 0.51 0.66 0.28 -3.56 0.00 0.00 178.44 176.32 1jey h VAL 149 N 0.19 1.23 -0.13 1.49 2.07 -1.25 -1.46 116.25 118.38 1jey h VAL 149 Ca 0.07 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1jey h VAL 149 Cb 0.32 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1jey h VAL 149 CO 0.00 0.24 -0.00 0.00 0.02 0.00 0.00 177.57 177.83 1jey h ALA 151 N 0.74 1.49 -0.05 0.00 0.00 -0.99 -1.14 119.26 119.32 1jey h ALA 151 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1jey h ALA 151 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jey h ALA 151 CO 0.01 0.39 -0.18 -0.97 0.00 0.00 0.00 179.25 178.49 1jey h ASN 152 N 1.05 0.08 -0.03 0.00 -0.73 -1.10 -1.84 115.58 113.01 1jey h ASN 152 Ca 0.38 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.49 1jey h ASN 152 Cb 0.15 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 1jey h ASN 152 CO -0.14 0.27 -0.10 -0.07 -0.37 0.00 0.00 177.43 177.02 1jey h LEU 153 N 0.08 0.28 -0.68 0.34 3.38 -0.88 -2.05 115.31 115.78 1jey h LEU 153 Ca 0.01 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1jey h LEU 153 Cb 0.38 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1jey h LEU 153 CO 0.03 0.42 -0.20 -0.26 0.09 0.00 0.00 178.44 178.52 1jey h PHE 154 N 0.28 0.92 -0.03 1.13 0.05 -1.28 -3.10 116.94 114.91 1jey h PHE 154 Ca 0.06 -0.20 -0.11 0.00 3.82 0.00 0.00 57.97 61.54 1jey h PHE 154 Cb 0.36 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 38.08 1jey h PHE 154 CO 0.01 0.94 -0.49 0.77 -0.18 0.00 0.00 178.31 179.36 1jey h SER 155 N 0.72 0.08 0.53 2.17 0.02 -1.21 -3.00 113.55 112.87 1jey h SER 155 Ca 0.10 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1jey h SER 155 Cb 0.71 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1jey h SER 155 CO 0.05 0.56 0.00 0.47 -1.14 0.00 0.00 176.83 176.77 1jey n ASP 156 N -3.96 0.00 -4.65 3.07 8.00 -0.84 -4.79 116.55 113.37 1jey n ASP 156 Ca -0.02 0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.14 1jey n ASP 156 Cb 0.51 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1jey n ASP 156 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jey s VAL 157 N -2.68 3.53 0.17 2.53 0.11 -1.14 -4.85 120.40 118.07 1jey s VAL 157 Ca 0.20 0.63 0.20 0.00 -2.93 0.00 0.00 61.98 60.08 1jey s VAL 157 Cb 0.16 -3.43 0.15 0.00 -1.53 0.00 0.00 36.38 31.73 1jey s VAL 157 CO 0.38 -0.08 1.75 0.06 -3.33 0.00 0.00 175.10 173.88 1jey h GLN 158 N 9.94 0.00 -7.52 1.54 -0.00 -1.91 -3.44 115.11 113.71 1jey h GLN 158 Ca -0.40 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 57.78 1jey h GLN 158 Cb 1.18 0.00 0.10 0.00 -0.00 0.00 0.00 27.48 28.76 1jey h GLN 158 CO 0.96 0.35 0.39 -0.06 -0.00 0.00 0.00 178.83 180.47 1jey s PHE 159 N -3.63 3.04 0.17 0.06 0.40 -1.26 -5.04 117.98 111.71 1jey s PHE 159 Ca 0.00 0.93 -0.18 0.00 -0.60 0.00 0.00 56.93 57.08 1jey s PHE 159 Cb 0.11 -3.27 -0.07 0.00 0.51 0.00 0.00 43.02 40.29 1jey s PHE 159 CO 0.68 -1.60 0.64 0.15 0.70 0.00 0.00 175.22 175.78 1jey s LYS 160 N -5.41 4.15 0.26 0.44 1.02 -1.26 -5.07 119.74 113.87 1jey s LYS 160 Ca 0.61 0.72 0.08 0.00 0.02 0.00 0.00 55.97 57.39 1jey s LYS 160 Cb -0.12 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1jey s LYS 160 CO 0.51 0.47 -0.11 -1.64 -0.92 0.00 0.00 175.35 173.66 1jey s MET 161 N -1.80 1.54 0.00 1.68 -1.94 -1.26 -3.75 119.30 113.77 1jey s MET 161 Ca 0.38 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.62 1jey s MET 161 Cb -0.17 -1.30 0.00 0.00 2.01 0.00 0.00 34.83 35.37 1jey s MET 161 CO 0.20 0.14 0.00 0.43 -0.01 0.00 0.00 175.02 175.78 1jey n SER 162 N -0.55 0.00 -4.75 3.03 7.64 -0.92 -4.59 113.62 113.49 1jey n SER 162 Ca -0.06 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.41 1jey n SER 162 Cb 0.62 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.78 1jey n SER 162 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1jey s HIS 163 N 0.73 3.57 -0.27 1.43 3.76 -1.26 -4.91 115.29 118.34 1jey s HIS 163 Ca 0.00 1.61 0.03 0.00 -0.15 0.00 0.00 55.06 56.55 1jey s HIS 163 Cb 0.00 -3.30 0.06 0.00 1.11 0.00 0.00 32.58 30.45 1jey s HIS 163 CO 0.00 -0.67 -0.09 0.15 -0.85 0.00 0.00 174.74 173.28 1jey s LYS 164 N -0.74 2.13 -0.02 1.40 1.02 -1.26 0.23 119.74 122.51 1jey s LYS 164 Ca 0.48 -1.40 0.04 0.00 0.02 0.00 0.00 55.97 55.12 1jey s LYS 164 Cb -0.31 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.08 1jey s LYS 164 CO 0.37 -0.61 -0.14 0.50 -0.92 0.00 0.00 175.35 174.55 1jey s ARG 165 N 1.09 1.29 -0.14 1.68 3.52 0.45 -0.80 118.95 126.04 1jey s ARG 165 Ca -0.07 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1jey s ARG 165 Cb -0.20 -1.20 -0.01 0.00 -1.56 0.00 0.00 34.95 31.98 1jey s ARG 165 CO -0.05 0.26 -0.15 0.42 -0.81 0.00 0.00 175.30 174.97 1jey s ILE 166 N -0.15 2.78 -0.29 4.11 1.01 0.14 -0.82 121.20 127.98 1jey s ILE 166 Ca 0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1jey s ILE 166 Cb -0.08 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.26 1jey s ILE 166 CO 0.00 0.52 0.03 -0.32 0.00 0.00 0.00 174.94 175.18 1jey s MET 167 N 0.53 2.85 -0.23 2.79 1.75 -0.18 0.00 119.30 126.81 1jey s MET 167 Ca -0.10 -1.00 -0.13 0.00 -1.25 0.00 0.00 55.69 53.22 1jey s MET 167 Cb -0.16 -3.24 -0.05 0.00 2.84 0.00 0.00 34.83 34.22 1jey s MET 167 CO 0.04 -0.49 0.25 -1.17 -0.65 0.00 0.00 175.02 173.00 1jey s LEU 168 N 1.40 4.13 -0.28 4.11 2.96 0.06 -0.71 118.68 130.34 1jey s LEU 168 Ca 0.00 0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.11 1jey s LEU 168 Cb -0.18 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.26 1jey s LEU 168 CO -0.00 0.01 0.05 -0.36 -1.32 0.00 0.00 176.35 174.73 1jey s PHE 169 N 1.18 3.12 -0.04 5.38 0.40 0.31 -0.00 117.98 128.31 1jey s PHE 169 Ca 0.12 -1.00 -0.30 0.00 -0.60 0.00 0.00 56.93 55.15 1jey s PHE 169 Cb -0.14 -2.22 0.08 0.00 0.51 0.00 0.00 43.02 41.25 1jey s PHE 169 CO 0.06 -0.57 0.72 -0.08 0.70 0.00 0.00 175.22 176.04 1jey s THR 170 N 1.49 0.00 -0.18 0.64 -1.32 -1.20 -1.51 115.64 113.55 1jey s THR 170 Ca 0.03 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.67 1jey s THR 170 Cb -0.17 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.26 1jey s THR 170 CO 0.01 0.00 1.32 -0.46 -2.21 0.00 0.00 174.62 173.28 1jey n ASN 171 N 0.74 3.04 -4.31 8.08 6.94 -1.26 -0.76 115.26 127.73 1jey n ASN 171 Ca -0.18 -3.19 -0.36 0.00 -0.02 0.00 0.00 54.58 50.83 1jey n ASN 171 Cb 0.58 -0.52 -0.13 0.00 -2.36 0.00 0.00 39.78 37.35 1jey n ASN 171 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1jey s GLU 172 N -2.93 3.13 0.00 -3.83 2.56 -1.26 -4.65 118.70 111.72 1jey s GLU 172 Ca 0.39 -0.81 0.24 0.00 0.00 0.00 0.00 54.97 54.79 1jey s GLU 172 Cb 0.33 -3.21 0.47 0.00 2.00 0.00 0.00 34.13 33.73 1jey s GLU 172 CO 0.05 -0.36 1.42 -0.40 -0.56 0.00 0.00 175.26 175.40 1jey n ASP 173 N 4.81 2.75 -2.91 -1.70 3.85 -1.26 -4.58 116.55 117.51 1jey n ASP 173 Ca -0.16 -1.89 -0.13 0.00 -0.71 0.00 0.00 54.79 51.90 1jey n ASP 173 Cb 0.49 -0.10 0.02 0.00 -1.35 0.00 0.00 41.12 40.18 1jey n ASP 173 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1jey n ASN 174 N 1.08 -1.54 -0.27 -1.12 5.15 -1.26 -3.95 115.26 113.35 1jey n ASN 174 Ca 0.17 -3.23 0.07 0.00 -0.60 0.00 0.00 54.58 51.00 1jey n ASN 174 Cb 0.53 0.96 0.20 0.00 -0.53 0.00 0.00 39.78 40.93 1jey n ASN 174 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1jey h PRO 175 N 3.61 0.16 -0.57 1.20 0.11 -2.01 -3.02 132.00 131.47 1jey h PRO 175 Ca -0.05 -0.01 -0.42 0.00 0.11 0.00 0.00 66.00 65.63 1jey h PRO 175 Cb 1.01 -0.04 -0.36 0.00 0.11 0.00 0.00 31.00 31.72 1jey h PRO 175 CO 0.33 0.10 -0.81 0.72 -0.21 0.00 0.00 178.00 178.13 1jey n HIS 176 N -5.28 2.06 0.42 0.65 8.25 -1.26 -4.74 115.22 115.31 1jey n HIS 176 Ca 0.16 -2.05 0.05 0.00 -0.26 0.00 0.00 57.72 55.62 1jey n HIS 176 Cb 0.53 -0.31 0.23 0.00 1.12 0.00 0.00 29.99 31.56 1jey n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jey n GLY 177 N -0.73 -0.64 0.23 -1.41 0.00 -1.14 -1.53 105.19 99.98 1jey n GLY 177 Ca 0.34 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.35 1jey n GLY 177 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jey n ASN 178 N -1.33 1.81 -3.35 1.61 0.23 -1.26 -4.87 115.26 108.09 1jey n ASN 178 Ca 0.04 -1.52 -0.19 0.00 -0.53 0.00 0.00 54.58 52.38 1jey n ASN 178 Cb 0.08 -0.04 -0.08 0.00 -2.08 0.00 0.00 39.78 37.66 1jey n ASN 178 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jey s ASP 179 N -0.65 1.36 0.37 0.53 -1.08 -0.58 -5.01 116.67 111.61 1jey s ASP 179 Ca 0.08 -1.85 0.09 0.00 -0.52 0.00 0.00 52.55 50.34 1jey s ASP 179 Cb 0.05 0.37 0.83 0.00 -1.46 0.00 0.00 42.92 42.70 1jey s ASP 179 CO 0.07 -0.25 1.92 0.77 0.52 0.00 0.00 175.17 178.20 1jey h SER 180 N 6.79 0.61 -0.42 -0.34 4.64 -1.90 0.15 113.55 123.09 1jey h SER 180 Ca 0.08 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.49 1jey h SER 180 Cb 1.03 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1jey h SER 180 CO 0.21 0.35 0.28 0.00 -0.87 0.00 0.00 176.83 176.81 1jey h ALA 181 N 1.61 2.04 0.10 5.18 0.00 -1.95 0.89 119.26 127.13 1jey h ALA 181 Ca 0.38 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.97 1jey h ALA 181 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jey h ALA 181 CO -0.15 -0.13 -1.60 0.87 0.00 0.00 0.00 179.25 178.25 1jey h LYS 182 N 0.27 0.20 -0.64 0.00 1.57 -1.39 -3.16 116.57 113.43 1jey h LYS 182 Ca 0.19 -0.34 0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1jey h LYS 182 Cb 0.39 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 1jey h LYS 182 CO -0.04 1.16 0.30 0.00 -0.57 0.00 0.00 179.45 180.31 1jey h ALA 183 N -0.10 0.85 -0.40 3.86 0.00 -0.80 -0.29 119.26 122.38 1jey h ALA 183 Ca -0.36 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1jey h ALA 183 Cb 1.77 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1jey h ALA 183 CO 0.01 -0.08 0.05 0.66 0.00 0.00 0.00 179.25 179.89 1jey h SER 184 N 0.54 0.65 -0.49 0.00 4.64 -0.99 -2.17 113.55 115.73 1jey h SER 184 Ca 0.31 -0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1jey h SER 184 Cb 0.30 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1jey h SER 184 CO -0.25 0.75 0.11 0.03 -0.87 0.00 0.00 176.83 176.61 1jey h ARG 185 N 0.51 0.85 -0.62 4.77 3.08 -1.40 -2.35 114.38 119.22 1jey h ARG 185 Ca 0.12 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1jey h ARG 185 Cb 0.39 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1jey h ARG 185 CO 0.01 0.78 0.07 0.00 -1.07 0.00 0.00 179.97 179.76 1jey h ALA 186 N 1.31 0.95 -0.32 0.04 0.00 -0.85 -1.22 119.26 119.17 1jey h ALA 186 Ca 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1jey h ALA 186 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jey h ALA 186 CO 0.00 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.95 1jey h ARG 187 N 0.96 0.52 0.29 0.00 3.08 -1.11 0.12 114.38 118.25 1jey h ARG 187 Ca 0.19 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1jey h ARG 187 Cb 0.46 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1jey h ARG 187 CO 0.02 0.62 -0.20 1.15 -1.07 0.00 0.00 179.97 180.49 1jey h THR 188 N 0.35 0.57 -0.91 2.04 2.02 -1.32 0.19 112.91 115.85 1jey h THR 188 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1jey h THR 188 Cb 0.35 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1jey h THR 188 CO 0.01 0.00 0.60 0.50 0.37 0.00 0.00 175.52 177.00 1jey h LYS 189 N -0.49 1.10 -0.58 6.66 1.63 -1.14 0.13 116.57 123.88 1jey h LYS 189 Ca -0.02 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1jey h LYS 189 Cb 0.42 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1jey h LYS 189 CO 0.01 0.73 0.32 0.00 -3.45 0.00 0.00 179.45 177.06 1jey h ALA 190 N 1.47 0.74 -0.37 5.00 0.00 -0.13 -1.46 119.26 124.51 1jey h ALA 190 Ca 0.37 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1jey h ALA 190 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jey h ALA 190 CO -0.11 0.25 -0.06 0.78 0.00 0.00 0.00 179.25 180.11 1jey h GLY 191 N 0.78 0.67 1.80 0.00 0.00 0.59 -2.41 103.07 104.49 1jey h GLY 191 Ca 0.20 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1jey h GLY 191 CO -0.03 0.41 -0.30 -1.80 0.00 0.00 0.00 176.54 174.82 1jey h ASP 192 N 0.58 0.23 -0.01 0.19 1.82 -0.20 -2.01 116.42 117.03 1jey h ASP 192 Ca 0.11 -0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1jey h ASP 192 Cb 0.45 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1jey h ASP 192 CO 0.02 0.53 0.00 -0.07 -1.61 0.00 0.00 179.24 178.12 1jey h LEU 193 N 0.21 0.01 -0.88 2.28 3.38 -0.80 0.44 115.31 119.95 1jey h LEU 193 Ca 0.03 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1jey h LEU 193 Cb 0.64 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1jey h LEU 193 CO 0.05 0.18 0.55 0.03 0.09 0.00 0.00 178.44 179.34 1jey h ARG 194 N -0.16 0.99 -0.02 1.13 3.08 -1.25 -0.53 114.38 117.62 1jey h ARG 194 Ca 0.00 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1jey h ARG 194 Cb 0.17 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1jey h ARG 194 CO -0.00 0.65 -0.59 -0.44 -1.07 0.00 0.00 179.97 178.52 1jey h ASP 195 N 1.02 0.08 0.42 7.04 3.32 -1.20 -3.06 116.42 124.03 1jey h ASP 195 Ca 0.38 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1jey h ASP 195 Cb 0.14 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1jey h ASP 195 CO -0.16 0.65 -0.05 0.41 -1.72 0.00 0.00 179.24 178.37 1jey n THR 196 N -3.85 0.00 -0.34 0.35 -1.04 0.13 -4.92 114.28 104.60 1jey n THR 196 Ca -0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1jey n THR 196 Cb 0.60 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1jey n THR 196 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jey n GLY 197 N 1.25 0.76 3.77 3.41 0.00 -0.60 -5.04 105.19 108.74 1jey n GLY 197 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1jey n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jey s ILE 198 N -2.30 5.27 -0.14 -0.61 1.01 -0.31 -4.45 121.20 119.67 1jey s ILE 198 Ca 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 60.65 61.17 1jey s ILE 198 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1jey s ILE 198 CO 0.00 0.45 0.11 -0.36 0.00 0.00 0.00 174.94 175.14 1jey s PHE 199 N -0.03 3.44 -0.25 3.97 0.40 0.02 -3.74 117.98 121.79 1jey s PHE 199 Ca 0.18 0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 1jey s PHE 199 Cb -0.14 -1.99 0.05 0.00 0.51 0.00 0.00 43.02 41.45 1jey s PHE 199 CO 0.06 0.52 -0.10 -1.17 0.70 0.00 0.00 175.22 175.23 1jey s LEU 200 N -0.50 3.27 -0.12 -0.37 0.20 -1.26 0.25 118.68 120.14 1jey s LEU 200 Ca 0.11 -1.17 -0.05 0.00 0.69 0.00 0.00 54.13 53.71 1jey s LEU 200 Cb -0.12 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 1jey s LEU 200 CO 0.02 -0.16 0.07 -1.81 -0.29 0.00 0.00 176.35 174.18 1jey s ASP 201 N 1.19 5.81 -0.26 3.68 1.01 0.10 -1.37 116.67 126.84 1jey s ASP 201 Ca -0.05 0.27 -0.10 0.00 0.71 0.00 0.00 52.55 53.38 1jey s ASP 201 Cb -0.18 -1.83 -0.05 0.00 1.01 0.00 0.00 42.92 41.87 1jey s ASP 201 CO -0.06 0.35 0.16 -0.22 0.21 0.00 0.00 175.17 175.61 1jey s LEU 202 N -0.68 3.97 -0.93 1.23 2.96 -1.26 -0.76 118.68 123.21 1jey s LEU 202 Ca 0.12 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1jey s LEU 202 Cb -0.12 -2.08 0.26 0.00 0.50 0.00 0.00 46.19 44.75 1jey s LEU 202 CO 0.02 0.00 1.03 0.23 -1.32 0.00 0.00 176.35 176.32 1jey n MET 203 N 4.69 3.28 -2.30 1.98 2.81 0.99 -4.94 117.12 123.63 1jey n MET 203 Ca -0.15 -4.54 -0.42 0.00 -1.81 0.00 0.00 57.70 50.78 1jey n MET 203 Cb 0.52 -2.43 -0.03 0.00 -0.71 0.00 0.00 33.22 30.57 1jey n MET 203 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1jey s HIS 204 N -2.03 3.35 0.25 2.03 -3.43 -1.26 -3.27 115.29 110.92 1jey s HIS 204 Ca 0.32 1.25 0.06 0.00 -0.80 0.00 0.00 55.06 55.89 1jey s HIS 204 Cb 0.01 -3.52 -0.03 0.00 -1.43 0.00 0.00 32.58 27.60 1jey s HIS 204 CO -0.03 -1.63 0.24 -0.51 -2.00 0.00 0.00 174.74 170.81 1jey s LEU 205 N 0.31 3.95 0.50 5.38 1.43 0.06 -1.75 118.68 128.57 1jey s LEU 205 Ca 0.57 -0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 53.29 1jey s LEU 205 Cb -0.34 -2.49 -0.08 0.00 0.03 0.00 0.00 46.19 43.32 1jey s LEU 205 CO 0.34 -0.05 1.12 1.17 0.23 0.00 0.00 176.35 179.16 1jey n LYS 206 N -1.25 1.40 -3.76 1.70 4.81 -0.05 -4.38 118.16 116.63 1jey n LYS 206 Ca -0.08 0.51 -0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1jey n LYS 206 Cb 0.58 -2.25 -0.10 0.00 0.02 0.00 0.00 35.03 33.27 1jey n LYS 206 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1jey s LYS 207 N -2.45 0.49 0.07 1.64 2.20 -1.26 -4.82 119.74 115.61 1jey s LYS 207 Ca 0.68 0.23 -0.35 0.00 -0.36 0.00 0.00 55.97 56.17 1jey s LYS 207 Cb -0.48 0.23 -0.14 0.00 -1.51 0.00 0.00 37.83 35.93 1jey s LYS 207 CO 0.53 -0.10 1.59 -0.35 -0.36 0.00 0.00 175.35 176.66 1jey n PRO 208 N 2.31 1.85 0.00 4.03 -0.04 -1.26 0.34 135.00 142.23 1jey n PRO 208 Ca -0.16 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1jey n PRO 208 Cb 0.57 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1jey n PRO 208 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jey n GLY 209 N 3.44 1.88 0.00 0.55 0.00 -1.26 -4.88 105.19 104.92 1jey n GLY 209 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1jey n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jey n GLY 210 N -2.00 1.98 3.58 -0.02 0.00 0.15 -4.95 105.19 103.92 1jey n GLY 210 Ca 0.00 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 1jey n GLY 210 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jey s PHE 211 N -2.60 3.22 -0.43 1.61 5.36 -1.26 -4.67 117.98 119.21 1jey s PHE 211 Ca 0.00 0.06 -0.15 0.00 -0.96 0.00 0.00 56.93 55.88 1jey s PHE 211 Cb 0.00 -2.42 0.04 0.00 -0.34 0.00 0.00 43.02 40.31 1jey s PHE 211 CO 0.00 -0.21 0.33 0.34 -1.46 0.00 0.00 175.22 174.22 1jey s ASP 212 N 1.75 6.08 0.34 6.13 -1.08 -1.26 -4.94 116.67 123.69 1jey s ASP 212 Ca 0.07 -1.10 0.18 0.00 -0.52 0.00 0.00 52.55 51.18 1jey s ASP 212 Cb -0.16 -2.15 0.44 0.00 -1.46 0.00 0.00 42.92 39.59 1jey s ASP 212 CO 0.11 -0.53 1.62 0.40 0.52 0.00 0.00 175.17 177.29 1jey h ILE 213 N 5.72 0.82 0.00 4.11 2.04 -1.97 -3.17 117.51 125.05 1jey h ILE 213 Ca -0.27 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 63.79 1jey h ILE 213 Cb 1.11 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 39.32 1jey h ILE 213 CO 0.78 0.40 -0.14 0.77 0.00 0.00 0.00 178.15 179.97 1jey h SER 214 N 0.00 0.00 -0.57 1.72 4.64 -1.94 -1.24 113.55 116.17 1jey h SER 214 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1jey h SER 214 Cb 1.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1jey h SER 214 CO 0.05 0.14 0.24 -0.07 -0.87 0.00 0.00 176.83 176.32 1jey h LEU 215 N 0.00 0.77 0.00 5.97 3.38 -1.84 -3.44 115.31 120.16 1jey h LEU 215 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jey h LEU 215 Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1jey h LEU 215 CO 0.02 0.72 0.00 0.33 0.09 0.00 0.00 178.44 179.60 1jey n PHE 216 N -4.51 -0.85 0.31 1.13 7.35 -1.19 -4.94 117.46 114.75 1jey n PHE 216 Ca 0.03 0.06 0.10 0.00 -0.76 0.00 0.00 57.45 56.89 1jey n PHE 216 Cb 0.15 0.58 0.47 0.00 0.35 0.00 0.00 39.48 41.04 1jey n PHE 216 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1jey n TYR 217 N -2.58 0.66 -0.03 -5.13 4.02 -1.16 -2.58 117.16 110.37 1jey n TYR 217 Ca 0.00 0.29 0.12 0.00 -0.01 0.00 0.00 57.90 58.30 1jey n TYR 217 Cb 0.00 -0.97 0.53 0.00 -0.02 0.00 0.00 39.34 38.88 1jey n TYR 217 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1jey h ARG 218 N 0.00 0.33 -0.72 -0.72 2.43 -1.51 -0.47 114.38 113.73 1jey h ARG 218 Ca 0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1jey h ARG 218 Cb 0.21 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1jey h ARG 218 CO 0.00 0.22 0.11 -0.25 -1.51 0.00 0.00 179.97 178.54 1jey n ASP 219 N -4.47 4.75 0.01 -3.80 8.00 -1.06 -4.53 116.55 115.44 1jey n ASP 219 Ca 0.08 -2.90 0.00 0.00 0.71 0.00 0.00 54.79 52.67 1jey n ASP 219 Cb 0.33 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1jey n ASP 219 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1jey n ILE 220 N 0.25 0.07 -1.34 0.53 5.41 -0.23 -4.74 119.36 119.31 1jey n ILE 220 Ca 0.29 0.02 -0.36 0.00 1.00 0.00 0.00 62.75 63.71 1jey n ILE 220 Cb 1.14 -1.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.16 1jey n ILE 220 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1jey n ILE 221 N -2.84 2.60 -2.99 1.39 -5.35 -0.92 -4.80 119.36 106.45 1jey n ILE 221 Ca 0.00 -0.38 -0.34 0.00 -0.27 0.00 0.00 62.75 61.77 1jey n ILE 221 Cb 0.22 -1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 37.07 1jey n ILE 221 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1jey n SER 222 N -1.37 5.43 -4.46 7.28 7.64 -0.47 -4.94 113.62 122.73 1jey n SER 222 Ca 0.12 -3.58 -0.43 0.00 1.01 0.00 0.00 58.87 55.99 1jey n SER 222 Cb 0.49 -0.88 -0.01 0.00 -1.01 0.00 0.00 64.21 62.81 1jey n SER 222 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1jey n VAL 231 N 0.35 1.79 -2.25 0.44 0.24 -1.26 -4.66 118.33 112.98 1jey n VAL 231 Ca 0.34 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.82 1jey n VAL 231 Cb 0.35 -0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 32.19 1jey n VAL 231 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1jey s HIS 232 N -1.31 3.42 0.67 6.34 5.04 -1.26 -5.02 115.29 123.18 1jey s HIS 232 Ca 0.62 1.44 -0.17 0.00 -1.54 0.00 0.00 55.06 55.41 1jey s HIS 232 Cb -0.69 -2.81 0.00 0.00 0.04 0.00 0.00 32.58 29.13 1jey s HIS 232 CO 0.58 -0.52 1.28 -0.06 -2.34 0.00 0.00 174.74 173.68 1jey s PHE 233 N -2.71 2.03 0.83 3.88 0.08 -1.26 -4.85 117.98 115.98 1jey s PHE 233 Ca 0.59 1.51 -0.12 0.00 0.12 0.00 0.00 56.93 59.03 1jey s PHE 233 Cb -0.11 -3.67 0.09 0.00 -0.57 0.00 0.00 43.02 38.77 1jey s PHE 233 CO 0.36 -2.93 1.18 -1.21 -0.10 0.00 0.00 175.22 172.52 1jey s GLU 234 N -3.49 1.76 0.62 0.44 0.41 -0.26 -5.01 118.70 113.17 1jey s GLU 234 Ca 0.81 0.13 -0.18 0.00 -0.41 0.00 0.00 54.97 55.32 1jey s GLU 234 Cb -0.36 -1.93 -0.02 0.00 -1.78 0.00 0.00 34.13 30.04 1jey s GLU 234 CO 0.41 -1.74 1.20 -1.83 -0.49 0.00 0.00 175.26 172.81 1jey s GLU 235 N -5.53 2.81 -0.09 1.61 -1.05 -1.26 -4.90 118.70 110.29 1jey s GLU 235 Ca 0.63 1.77 -0.10 0.00 -0.15 0.00 0.00 54.97 57.12 1jey s GLU 235 Cb -0.11 -1.91 -0.05 0.00 -0.44 0.00 0.00 34.13 31.62 1jey s GLU 235 CO 0.50 -1.32 0.22 -1.12 0.95 0.00 0.00 175.26 174.49 1jey s SER 236 N -1.77 6.51 0.00 0.83 0.01 -0.71 -4.88 113.70 113.68 1jey s SER 236 Ca 0.76 0.61 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1jey s SER 236 Cb -0.29 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1jey s SER 236 CO 0.36 0.37 0.02 -1.54 0.41 0.00 0.00 173.24 172.86 1jey n SER 237 N 2.02 0.04 -4.08 2.44 3.41 -1.26 -0.87 113.62 115.32 1jey n SER 237 Ca -0.18 -0.32 -0.19 0.00 -0.26 0.00 0.00 58.87 57.92 1jey n SER 237 Cb 0.54 0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 64.85 1jey n SER 237 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1jey s LYS 238 N -0.50 0.81 0.23 4.33 1.02 -1.26 -4.90 119.74 119.47 1jey s LYS 238 Ca 0.00 -0.54 -0.08 0.00 0.02 0.00 0.00 55.97 55.37 1jey s LYS 238 Cb 0.00 -0.77 0.38 0.00 -0.52 0.00 0.00 37.83 36.92 1jey s LYS 238 CO 0.00 0.20 1.68 1.25 -0.92 0.00 0.00 175.35 177.56 1jey h LEU 239 N 5.38 -0.11 -0.67 3.17 5.85 -1.96 -1.78 115.31 125.19 1jey h LEU 239 Ca -0.34 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.64 1jey h LEU 239 Cb 1.18 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 42.31 1jey h LEU 239 CO 0.46 -0.07 -0.37 -0.33 -0.34 0.00 0.00 178.44 177.80 1jey h GLU 240 N 0.20 -0.14 -0.21 1.25 5.08 -1.99 0.26 114.58 119.04 1jey h GLU 240 Ca 0.37 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1jey h GLU 240 Cb 0.61 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1jey h GLU 240 CO -0.51 -0.09 0.08 -0.44 -1.00 0.00 0.00 179.01 177.05 1jey h ASP 241 N -0.14 0.29 -0.84 1.42 3.32 -1.76 -2.07 116.42 116.63 1jey h ASP 241 Ca 0.24 -0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1jey h ASP 241 Cb 0.56 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 1jey h ASP 241 CO -0.74 0.38 0.55 0.25 -1.72 0.00 0.00 179.24 177.96 1jey h LEU 242 N 0.18 0.85 0.22 1.55 5.85 -0.89 -1.55 115.31 121.52 1jey h LEU 242 Ca 0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1jey h LEU 242 Cb 0.19 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1jey h LEU 242 CO -0.00 0.56 -0.11 0.25 -0.34 0.00 0.00 178.44 178.80 1jey h LEU 243 N 0.97 -0.25 -0.54 2.25 6.46 -0.20 -1.11 115.31 122.89 1jey h LEU 243 Ca 0.36 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1jey h LEU 243 Cb 0.17 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1jey h LEU 243 CO -0.12 -0.06 0.34 0.03 -0.62 0.00 0.00 178.44 178.01 1jey h ARG 244 N -0.43 0.72 -0.80 1.25 3.08 -1.08 0.79 114.38 117.91 1jey h ARG 244 Ca -0.03 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1jey h ARG 244 Cb 0.33 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1jey h ARG 244 CO 0.05 0.51 0.49 0.87 -1.07 0.00 0.00 179.97 180.81 1jey h LYS 245 N 0.73 1.07 -0.05 0.04 1.57 -1.25 0.33 116.57 119.00 1jey h LYS 245 Ca 0.19 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.64 1jey h LYS 245 Cb -0.04 -0.23 0.02 0.00 0.08 0.00 0.00 32.23 32.06 1jey h LYS 245 CO -0.04 0.75 -0.91 0.28 -0.57 0.00 0.00 179.45 178.96 1jey h VAL 246 N 1.09 1.29 -0.65 0.50 2.07 -0.59 -3.16 116.25 116.81 1jey h VAL 246 Ca 0.29 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.67 1jey h VAL 246 Cb -0.06 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1jey h VAL 246 CO -0.06 0.66 0.37 0.03 0.02 0.00 0.00 177.57 178.60 1jey h ARG 247 N 0.39 0.88 0.00 1.57 3.08 0.11 0.19 114.38 120.60 1jey h ARG 247 Ca -0.10 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1jey h ARG 247 Cb 1.56 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1jey h ARG 247 CO 0.18 0.63 0.00 0.00 -1.07 0.00 0.00 179.97 179.71 1jey n ALA 248 N -2.44 1.40 -0.90 0.04 0.00 0.11 -2.75 120.51 115.97 1jey n ALA 248 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1jey n ALA 248 Cb 0.08 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1jey n ALA 248 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jey n LYS 249 N -1.34 0.01 0.27 0.00 5.02 -0.26 -4.81 118.16 117.05 1jey n LYS 249 Ca 0.02 -0.20 0.16 0.00 -2.02 0.00 0.00 58.31 56.28 1jey n LYS 249 Cb 0.05 -0.55 0.66 0.00 -0.02 0.00 0.00 35.03 35.17 1jey n LYS 249 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1jey h GLU 250 N 0.00 0.00 -3.58 1.97 4.11 -0.51 -3.43 114.58 113.14 1jey h GLU 250 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.16 1jey h GLU 250 Cb 0.59 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.52 1jey h GLU 250 CO 0.00 0.04 -0.72 0.99 0.07 0.00 0.00 179.01 179.39 1jey s THR 251 N -3.69 -0.04 0.47 -1.06 2.01 -1.26 -5.07 115.64 107.00 1jey s THR 251 Ca 0.01 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.03 1jey s THR 251 Cb 0.09 -0.06 -0.06 0.00 0.01 0.00 0.00 72.50 72.48 1jey s THR 251 CO 0.56 0.06 0.86 -0.13 -0.69 0.00 0.00 174.62 175.28 1jey s ARG 252 N 0.70 3.79 0.43 4.92 3.00 -1.26 -5.00 118.95 125.53 1jey s ARG 252 Ca -0.06 0.62 -0.23 0.00 0.00 0.00 0.00 55.73 56.07 1jey s ARG 252 Cb -0.08 -2.28 -0.11 0.00 0.00 0.00 0.00 34.95 32.48 1jey s ARG 252 CO -0.02 -0.18 0.79 1.63 0.00 0.00 0.00 175.30 177.53 1jey n LYS 253 N -1.61 0.95 -3.36 3.54 5.02 -1.26 -4.98 118.16 116.45 1jey n LYS 253 Ca 0.04 0.34 -0.15 0.00 -2.02 0.00 0.00 58.31 56.52 1jey n LYS 253 Cb 0.54 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 1jey n LYS 253 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jey s ARG 254 N -1.85 0.45 0.53 1.97 3.52 -1.26 -5.14 118.95 117.17 1jey s ARG 254 Ca 0.64 -0.31 -0.22 0.00 -0.13 0.00 0.00 55.73 55.71 1jey s ARG 254 Cb -0.58 -0.59 -0.06 0.00 -1.56 0.00 0.00 34.95 32.17 1jey s ARG 254 CO 0.57 -1.09 1.27 0.00 -0.81 0.00 0.00 175.30 175.24 1jey n ALA 255 N 4.98 1.28 0.48 6.12 0.00 -1.26 -4.79 120.51 127.31 1jey n ALA 255 Ca 0.03 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1jey n ALA 255 Cb 0.47 -2.30 0.17 0.00 0.00 0.00 0.00 19.45 17.79 1jey n ALA 255 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jey h LEU 256 N 1.40 0.00 0.00 0.00 5.85 -0.17 -3.48 115.31 118.91 1jey h LEU 256 Ca -0.50 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1jey h LEU 256 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1jey h LEU 256 CO 0.57 0.07 0.00 -1.54 -0.34 0.00 0.00 178.44 177.20 1jey n SER 257 N -2.28 0.00 -4.42 1.25 3.41 -1.21 -4.99 113.62 105.38 1jey n SER 257 Ca 0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.27 1jey n SER 257 Cb 0.46 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.29 1jey n SER 257 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jey s ARG 258 N -1.40 3.42 0.34 4.33 0.52 -1.26 -1.25 118.95 123.64 1jey s ARG 258 Ca 0.00 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.61 1jey s ARG 258 Cb 0.00 -3.42 -0.07 0.00 0.52 0.00 0.00 34.95 31.98 1jey s ARG 258 CO 0.00 -0.33 0.02 -0.51 0.02 0.00 0.00 175.30 174.50 1jey s LEU 259 N 1.59 2.41 -0.06 2.53 1.43 -0.24 -4.95 118.68 121.39 1jey s LEU 259 Ca 0.05 -1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 51.67 1jey s LEU 259 Cb -0.16 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 1jey s LEU 259 CO 0.04 -0.51 0.37 -0.54 0.23 0.00 0.00 176.35 175.94 1jey s LYS 260 N -3.81 4.02 -0.37 1.70 1.02 -1.26 -0.64 119.74 120.40 1jey s LYS 260 Ca 0.35 0.31 -0.03 0.00 0.02 0.00 0.00 55.97 56.61 1jey s LYS 260 Cb 0.08 -3.30 0.08 0.00 -0.52 0.00 0.00 37.83 34.17 1jey s LYS 260 CO 0.15 0.51 0.13 -1.17 -0.92 0.00 0.00 175.35 174.06 1jey s LEU 261 N -0.46 4.69 -0.32 3.17 0.20 0.73 -1.31 118.68 125.38 1jey s LEU 261 Ca 0.22 -1.64 -0.20 0.00 0.69 0.00 0.00 54.13 53.20 1jey s LEU 261 Cb -0.15 -1.81 -0.01 0.00 -0.43 0.00 0.00 46.19 43.79 1jey s LEU 261 CO 0.10 -0.42 0.60 -0.54 -0.29 0.00 0.00 176.35 175.80 1jey s LYS 262 N 1.23 3.83 0.17 1.98 1.02 0.27 -1.85 119.74 126.39 1jey s LYS 262 Ca 0.02 0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.27 1jey s LYS 262 Cb -0.21 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 1jey s LYS 262 CO -0.02 -0.59 1.40 -0.07 -0.92 0.00 0.00 175.35 175.14 1jey h LEU 263 N 9.16 0.07 0.00 3.17 3.38 -1.37 -1.26 115.31 128.46 1jey h LEU 263 Ca -0.27 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1jey h LEU 263 Cb 1.12 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1jey h LEU 263 CO 0.80 0.90 0.15 -0.46 0.09 0.00 0.00 178.44 179.92 1jey n ASN 264 N -3.56 -0.70 0.17 -0.43 6.94 -1.23 -4.64 115.26 111.81 1jey n ASN 264 Ca -0.01 -1.43 0.04 0.00 -0.02 0.00 0.00 54.58 53.16 1jey n ASN 264 Cb 0.82 1.16 0.46 0.00 -2.36 0.00 0.00 39.78 39.86 1jey n ASN 264 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1jey h LYS 265 N 0.00 0.12 0.04 -3.83 1.57 -2.02 -3.25 116.57 109.20 1jey h LYS 265 Ca -0.11 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.33 1jey h LYS 265 Cb 0.42 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1jey h LYS 265 CO 0.14 0.25 -1.87 -0.25 -0.57 0.00 0.00 179.45 177.15 1jey n ASP 266 N -4.33 1.22 -4.35 0.86 8.00 -1.26 -4.77 116.55 111.93 1jey n ASP 266 Ca -0.02 0.30 -0.45 0.00 0.71 0.00 0.00 54.79 55.33 1jey n ASP 266 Cb 0.23 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1jey n ASP 266 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jey s ILE 267 N -2.58 5.08 -0.09 0.53 1.01 -1.23 -5.03 121.20 118.90 1jey s ILE 267 Ca -0.11 -1.44 0.03 0.00 0.00 0.00 0.00 60.65 59.12 1jey s ILE 267 Cb 0.07 -4.45 0.01 0.00 0.01 0.00 0.00 42.46 38.10 1jey s ILE 267 CO 0.80 -1.04 -0.17 -0.69 0.00 0.00 0.00 174.94 173.84 1jey s VAL 268 N 1.90 1.51 0.29 2.92 1.01 -1.26 -1.01 120.40 125.76 1jey s VAL 268 Ca 0.11 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.51 1jey s VAL 268 Cb -0.23 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1jey s VAL 268 CO 0.02 0.44 -0.09 0.27 0.00 0.00 0.00 175.10 175.73 1jey s ILE 269 N 0.64 2.78 -0.07 2.22 -4.36 -0.77 -4.94 121.20 116.69 1jey s ILE 269 Ca -0.14 -2.16 -0.02 0.00 -0.26 0.00 0.00 60.65 58.07 1jey s ILE 269 Cb -0.16 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.93 1jey s ILE 269 CO 0.04 -0.34 0.01 -0.94 0.24 0.00 0.00 174.94 173.96 1jey s SER 270 N -3.61 5.31 0.07 4.36 1.04 -1.26 -0.20 113.70 119.41 1jey s SER 270 Ca 0.32 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.92 1jey s SER 270 Cb -0.04 -1.50 -0.03 0.00 0.10 0.00 0.00 66.02 64.55 1jey s SER 270 CO 0.17 0.36 -0.08 0.68 0.98 0.00 0.00 173.24 175.36 1jey s VAL 271 N -0.93 0.65 -0.10 5.02 -7.23 0.19 -1.01 120.40 116.99 1jey s VAL 271 Ca 0.15 -1.40 -0.05 0.00 -1.81 0.00 0.00 61.98 58.87 1jey s VAL 271 Cb -0.11 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1jey s VAL 271 CO 0.04 -0.53 0.10 -0.83 -0.31 0.00 0.00 175.10 173.56 1jey s GLY 272 N -2.10 2.06 -0.16 2.32 0.00 0.34 -1.08 107.32 108.70 1jey s GLY 272 Ca -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 44.72 43.97 1jey s GLY 272 CO -0.01 -0.47 -0.07 -0.42 0.00 0.00 0.00 173.10 172.13 1jey s ILE 273 N -1.01 3.45 0.10 0.90 -1.09 -0.38 -1.72 121.20 121.45 1jey s ILE 273 Ca 0.15 -0.51 0.06 0.00 -2.23 0.00 0.00 60.65 58.12 1jey s ILE 273 Cb -0.12 -2.50 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1jey s ILE 273 CO 0.05 0.49 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.79 1jey s TYR 274 N 0.60 1.36 -0.51 3.97 1.51 0.45 0.64 117.35 125.38 1jey s TYR 274 Ca -0.05 -0.50 -0.09 0.00 -1.01 0.00 0.00 57.07 55.43 1jey s TYR 274 Cb -0.15 -0.74 0.13 0.00 -0.11 0.00 0.00 41.96 41.09 1jey s TYR 274 CO 0.03 0.11 0.38 0.54 -1.11 0.00 0.00 175.55 175.50 1jey s ASN 275 N -2.10 5.71 0.26 2.29 4.22 -1.26 0.14 114.94 124.19 1jey s ASN 275 Ca 0.04 -2.07 0.25 0.00 -2.14 0.00 0.00 52.86 48.94 1jey s ASN 275 Cb -0.08 -2.00 0.93 0.00 1.28 0.00 0.00 41.25 41.39 1jey s ASN 275 CO 0.03 -0.65 1.74 0.18 -2.04 0.00 0.00 177.10 176.36 1jey n LEU 276 N 4.68 0.75 -4.08 3.54 4.77 -1.26 -4.57 117.00 120.83 1jey n LEU 276 Ca -0.04 0.64 -0.22 0.00 -0.03 0.00 0.00 56.01 56.36 1jey n LEU 276 Cb 0.41 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 1jey n LEU 276 CO 0.41 -0.45 -0.47 0.68 -1.33 0.00 0.00 177.39 176.23 1jey s VAL 277 N -3.26 1.06 -0.25 4.08 -7.23 -1.26 -5.13 120.40 108.41 1jey s VAL 277 Ca 0.06 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.57 1jey s VAL 277 Cb 0.10 -0.90 0.09 0.00 0.56 0.00 0.00 36.38 36.23 1jey s VAL 277 CO 0.47 0.31 0.58 -1.58 -0.31 0.00 0.00 175.10 174.56 1jey s GLN 278 N -0.13 0.54 -0.44 4.82 2.00 -1.26 -5.00 119.66 120.18 1jey s GLN 278 Ca 0.02 1.19 -0.27 0.00 -2.00 0.00 0.00 55.36 54.30 1jey s GLN 278 Cb -0.07 0.39 -0.05 0.00 0.80 0.00 0.00 33.01 34.07 1jey s GLN 278 CO 0.00 -0.19 2.25 0.21 -0.50 0.00 0.00 175.29 177.06 1jey s LYS 279 N 2.20 2.46 -0.09 1.67 2.20 -1.26 -4.90 119.74 122.02 1jey s LYS 279 Ca -0.07 1.41 -0.29 0.00 -0.36 0.00 0.00 55.97 56.66 1jey s LYS 279 Cb -0.09 -4.49 -0.06 0.00 -1.51 0.00 0.00 37.83 31.68 1jey s LYS 279 CO -0.17 -2.88 1.91 0.00 -0.36 0.00 0.00 175.35 173.85 1jey s ALA 280 N 10.63 3.33 0.25 3.13 0.00 -1.26 -4.97 121.76 132.88 1jey s ALA 280 Ca 0.92 0.97 0.06 0.00 0.00 0.00 0.00 51.96 53.91 1jey s ALA 280 Cb -0.20 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 1jey s ALA 280 CO 0.27 -1.91 0.29 -0.51 0.00 0.00 0.00 175.76 173.90 1jey s LEU 281 N 5.44 4.03 -0.19 0.00 1.43 -1.26 -5.01 118.68 123.12 1jey s LEU 281 Ca 0.86 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.55 1jey s LEU 281 Cb -0.35 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1jey s LEU 281 CO 0.36 -0.09 1.58 -0.75 0.23 0.00 0.00 176.35 177.68 1jey s LYS 282 N -3.93 3.91 0.21 1.70 2.20 -1.26 -4.92 119.74 117.65 1jey s LYS 282 Ca 0.34 1.74 -0.31 0.00 -0.36 0.00 0.00 55.97 57.38 1jey s LYS 282 Cb -0.08 -4.00 -0.15 0.00 -1.51 0.00 0.00 37.83 32.09 1jey s LYS 282 CO 0.27 -1.16 1.06 -2.30 -0.36 0.00 0.00 175.35 172.87 1jey n PRO 283 N 7.46 1.12 -1.59 4.03 -0.02 -1.26 -4.91 135.00 139.84 1jey n PRO 283 Ca 0.18 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 1jey n PRO 283 Cb 0.45 -1.81 0.07 0.00 -0.02 0.00 0.00 33.50 32.18 1jey n PRO 283 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jey s PRO 284 N -0.81 2.49 1.07 0.52 0.04 -1.26 -5.01 135.00 132.04 1jey s PRO 284 Ca 0.68 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 63.10 1jey s PRO 284 Cb -0.81 -1.90 0.23 0.00 0.04 0.00 0.00 34.50 32.06 1jey s PRO 284 CO 0.55 -1.51 1.07 -2.14 0.04 0.00 0.00 177.00 175.01 1jey s PRO 285 N -4.09 -0.15 -0.01 0.56 0.02 -1.26 -5.07 135.00 125.00 1jey s PRO 285 Ca 0.69 0.61 -0.00 0.00 0.02 0.00 0.00 61.00 62.32 1jey s PRO 285 Cb -0.23 -1.66 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1jey s PRO 285 CO 0.44 -3.15 0.02 0.42 -0.33 0.00 0.00 177.00 174.40 1jey s ILE 286 N -2.78 -0.02 0.05 2.83 1.01 -1.26 -5.13 121.20 115.90 1jey s ILE 286 Ca 0.67 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 1jey s ILE 286 Cb -0.21 -0.04 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1jey s ILE 286 CO 0.60 0.02 0.99 -0.54 0.00 0.00 0.00 174.94 176.02 1jey s LYS 287 N 0.31 4.60 0.31 2.79 1.02 -1.26 -5.01 119.74 122.51 1jey s LYS 287 Ca -0.03 1.47 0.10 0.00 0.02 0.00 0.00 55.97 57.53 1jey s LYS 287 Cb -0.04 -3.41 -0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1jey s LYS 287 CO -0.01 0.04 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.82 1jey s LEU 288 N 0.58 2.66 -0.50 3.17 1.43 -1.26 -1.07 118.68 123.68 1jey s LEU 288 Ca 0.51 -1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 52.28 1jey s LEU 288 Cb -0.23 -0.98 0.06 0.00 0.03 0.00 0.00 46.19 45.07 1jey s LEU 288 CO 0.29 -0.14 0.58 -0.47 0.23 0.00 0.00 176.35 176.84 1jey s TYR 289 N -2.63 3.09 0.13 0.29 5.04 0.22 -4.87 117.35 118.62 1jey s TYR 289 Ca 0.31 -0.64 -0.09 0.00 -2.44 0.00 0.00 57.07 54.22 1jey s TYR 289 Cb 0.00 -3.48 0.16 0.00 0.35 0.00 0.00 41.96 38.99 1jey s TYR 289 CO 0.15 -0.99 0.85 -2.13 -1.34 0.00 0.00 175.55 172.09 1jey n ARG 290 N 5.97 -0.11 0.00 4.97 0.63 -1.26 0.65 116.66 127.51 1jey n ARG 290 Ca -0.08 0.85 0.08 0.00 -0.92 0.00 0.00 57.85 57.78 1jey n ARG 290 Cb 0.45 -1.26 0.40 0.00 0.45 0.00 0.00 32.46 32.50 1jey n ARG 290 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1jey n GLU 291 N -4.83 0.23 0.00 -0.14 1.02 -1.26 -3.70 120.64 111.96 1jey n GLU 291 Ca 0.06 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1jey n GLU 291 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1jey n GLU 291 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jey n THR 292 N -1.28 0.00 -1.98 2.62 -2.24 0.48 -5.01 114.28 106.88 1jey n THR 292 Ca 0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 1jey n THR 292 Cb 0.12 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1jey n THR 292 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jey n ASN 293 N 0.00 -4.21 -4.77 3.42 3.02 0.21 -4.93 115.26 107.99 1jey n ASN 293 Ca 0.00 0.24 -0.39 0.00 -0.03 0.00 0.00 54.58 54.40 1jey n ASN 293 Cb 0.24 -3.68 -0.06 0.00 -0.61 0.00 0.00 39.78 35.67 1jey n ASN 293 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1jey s GLU 294 N -4.24 4.41 0.55 3.52 2.12 -1.24 -4.68 118.70 119.15 1jey s GLU 294 Ca 0.00 0.95 -0.21 0.00 0.36 0.00 0.00 54.97 56.07 1jey s GLU 294 Cb 0.00 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1jey s GLU 294 CO 0.00 0.46 1.29 -2.30 -0.54 0.00 0.00 175.26 174.17 1jey n PRO 295 N 2.22 1.55 -4.92 4.30 -0.02 -1.26 -0.61 135.00 136.26 1jey n PRO 295 Ca -0.06 0.57 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 1jey n PRO 295 Cb 0.50 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 1jey n PRO 295 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jey s VAL 296 N -1.32 2.45 0.43 -1.45 1.01 -0.24 -4.81 120.40 116.48 1jey s VAL 296 Ca 0.72 -1.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1jey s VAL 296 Cb -0.42 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 1jey s VAL 296 CO 0.49 0.44 0.88 -0.75 0.00 0.00 0.00 175.10 176.15 1jey s LYS 297 N -1.09 3.98 -0.08 2.72 2.47 -1.26 -4.77 119.74 121.71 1jey s LYS 297 Ca 0.12 0.83 -0.01 0.00 -1.56 0.00 0.00 55.97 55.35 1jey s LYS 297 Cb -0.10 -2.26 0.03 0.00 -1.46 0.00 0.00 37.83 34.03 1jey s LYS 297 CO 0.02 -0.08 -0.01 0.99 0.16 0.00 0.00 175.35 176.43 1jey s THR 298 N -2.34 0.46 -0.21 3.43 2.01 -1.26 -5.12 115.64 112.61 1jey s THR 298 Ca 0.57 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.59 1jey s THR 298 Cb -0.10 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1jey s THR 298 CO 0.24 0.28 -0.00 -0.54 -0.69 0.00 0.00 174.62 173.91 1jey s LYS 299 N 1.94 3.57 -0.34 4.92 1.02 -1.26 -5.08 119.74 124.51 1jey s LYS 299 Ca 0.05 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.43 1jey s LYS 299 Cb -0.12 -3.09 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1jey s LYS 299 CO -0.06 -0.06 0.12 0.99 -0.92 0.00 0.00 175.35 175.42 1jey s THR 300 N 1.19 3.93 0.34 2.17 2.01 -1.26 -5.09 115.64 118.93 1jey s THR 300 Ca 0.03 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.07 1jey s THR 300 Cb -0.14 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1jey s THR 300 CO 0.01 -0.16 0.18 -0.13 -0.69 0.00 0.00 174.62 173.83 1jey s ARG 301 N 1.44 2.45 -0.06 4.92 0.52 -1.26 -5.13 118.95 121.82 1jey s ARG 301 Ca -0.01 -1.49 0.02 0.00 -0.52 0.00 0.00 55.73 53.73 1jey s ARG 301 Cb -0.19 -2.24 0.01 0.00 0.52 0.00 0.00 34.95 33.05 1jey s ARG 301 CO 0.03 0.10 -0.12 0.99 0.02 0.00 0.00 175.30 176.33 1jey s THR 302 N -2.40 1.10 0.05 0.02 2.01 -1.26 -5.08 115.64 110.07 1jey s THR 302 Ca 0.39 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.96 1jey s THR 302 Cb -0.03 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1jey s THR 302 CO 0.24 0.35 -0.08 0.72 -0.69 0.00 0.00 174.62 175.15 1jey s PHE 303 N 0.70 0.71 0.28 4.92 -0.12 -1.26 0.42 117.98 123.62 1jey s PHE 303 Ca -0.14 -0.53 -0.30 0.00 -0.05 0.00 0.00 56.93 55.91 1jey s PHE 303 Cb -0.16 -0.42 -0.11 0.00 -0.63 0.00 0.00 43.02 41.70 1jey s PHE 303 CO 0.03 -0.08 1.62 1.21 -0.05 0.00 0.00 175.22 177.95 1jey s ASN 304 N -1.69 6.38 0.13 1.98 3.84 0.01 -4.89 114.94 120.70 1jey s ASN 304 Ca -0.08 2.93 -0.14 0.00 0.21 0.00 0.00 52.86 55.78 1jey s ASN 304 Cb -0.09 -2.63 -0.01 0.00 -0.55 0.00 0.00 41.25 37.97 1jey s ASN 304 CO 0.00 -0.92 1.58 0.74 -2.79 0.00 0.00 177.10 175.71 1jey h THR 305 N 3.47 1.26 0.44 -5.21 2.02 -1.95 0.10 112.91 113.04 1jey h THR 305 Ca -0.46 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 1jey h THR 305 Cb 1.22 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1jey h THR 305 CO 0.82 0.35 -0.21 0.77 0.37 0.00 0.00 175.52 177.63 1jey h SER 306 N 0.60 -0.50 0.86 4.18 4.64 -1.99 -3.36 113.55 117.99 1jey h SER 306 Ca 0.12 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.27 1jey h SER 306 Cb 0.49 0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1jey h SER 306 CO 0.02 -0.26 -0.89 0.71 -0.87 0.00 0.00 176.83 175.54 1jey h THR 307 N -0.77 1.63 0.00 2.95 1.35 -1.98 -3.47 112.91 112.61 1jey h THR 307 Ca -0.06 -3.01 0.00 0.00 -0.55 0.00 0.00 66.41 62.79 1jey h THR 307 Cb 0.45 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1jey h THR 307 CO 0.10 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 1jey n GLY 308 N 1.01 0.76 3.77 5.82 0.00 0.02 -5.02 105.19 111.56 1jey n GLY 308 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1jey n GLY 308 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jey s GLY 309 N -1.78 2.72 0.33 -0.02 0.00 -1.25 -4.62 107.32 102.71 1jey s GLY 309 Ca 0.00 0.88 -0.29 0.00 0.00 0.00 0.00 44.72 45.32 1jey s GLY 309 CO 0.00 1.30 1.40 -2.27 0.00 0.00 0.00 173.10 173.53 1jey s LEU 310 N -3.27 4.38 -0.39 0.66 2.96 -1.26 -0.81 118.68 120.95 1jey s LEU 310 Ca 0.66 2.81 -0.13 0.00 -0.22 0.00 0.00 54.13 57.26 1jey s LEU 310 Cb -0.27 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 42.80 1jey s LEU 310 CO 0.32 -0.68 0.25 -0.76 -1.32 0.00 0.00 176.35 174.15 1jey s LEU 311 N -1.62 4.88 0.78 -0.68 1.43 0.17 -4.82 118.68 118.81 1jey s LEU 311 Ca 0.52 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1jey s LEU 311 Cb -0.43 -2.09 0.07 0.00 0.03 0.00 0.00 46.19 43.77 1jey s LEU 311 CO 0.55 -0.41 1.13 -0.76 0.23 0.00 0.00 176.35 177.09 1jey s LEU 312 N 1.62 3.11 0.58 1.79 1.43 -1.26 -4.76 118.68 121.19 1jey s LEU 312 Ca 0.04 2.05 0.31 0.00 -1.03 0.00 0.00 54.13 55.50 1jey s LEU 312 Cb -0.19 -4.55 1.80 0.00 0.03 0.00 0.00 46.19 43.28 1jey s LEU 312 CO 0.08 -2.28 2.23 1.55 0.23 0.00 0.00 176.35 178.16 1jey h PRO 313 N -0.93 0.00 -0.52 1.29 0.13 -1.98 0.06 132.00 130.05 1jey h PRO 313 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1jey h PRO 313 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1jey h PRO 313 CO 0.49 0.03 0.00 -1.13 -0.23 0.00 0.00 178.00 177.16 1jey n SER 314 N -3.71 2.36 -0.37 1.44 3.41 -1.26 -3.50 113.62 111.98 1jey n SER 314 Ca -0.03 -2.16 0.03 0.00 -0.26 0.00 0.00 58.87 56.46 1jey n SER 314 Cb 0.12 -0.36 0.08 0.00 -0.26 0.00 0.00 64.21 63.78 1jey n SER 314 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jey n ASP 315 N 0.43 2.36 -4.01 4.04 8.00 0.01 -4.99 116.55 122.38 1jey n ASP 315 Ca 0.12 -1.84 -0.10 0.00 0.71 0.00 0.00 54.79 53.67 1jey n ASP 315 Cb 0.44 -0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.32 1jey n ASP 315 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1jey s THR 316 N -0.91 0.26 0.37 -3.53 -1.32 -1.23 -4.92 115.64 104.36 1jey s THR 316 Ca 0.13 -0.99 0.04 0.00 -1.21 0.00 0.00 61.69 59.67 1jey s THR 316 Cb 0.07 -0.40 -0.06 0.00 -1.51 0.00 0.00 72.50 70.60 1jey s THR 316 CO 0.10 -0.47 0.06 -0.54 -2.21 0.00 0.00 174.62 171.56 1jey s LYS 317 N -1.55 1.79 -0.14 7.08 1.02 -1.26 -4.77 119.74 121.91 1jey s LYS 317 Ca -0.13 -2.03 -0.05 0.00 0.02 0.00 0.00 55.97 53.77 1jey s LYS 317 Cb -0.10 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1jey s LYS 317 CO -0.01 -0.23 0.06 1.03 -0.92 0.00 0.00 175.35 175.28 1jey s ARG 318 N -3.83 3.53 0.08 1.68 1.81 0.37 -4.98 118.95 117.60 1jey s ARG 318 Ca 0.32 -0.32 0.06 0.00 -1.72 0.00 0.00 55.73 54.07 1jey s ARG 318 Cb 0.07 -3.07 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 1jey s ARG 318 CO 0.15 0.53 -0.17 0.45 -0.68 0.00 0.00 175.30 175.58 1jey s SER 319 N -0.37 2.01 -0.09 0.23 0.15 -1.26 -0.65 113.70 113.72 1jey s SER 319 Ca 0.09 -0.63 -0.04 0.00 0.70 0.00 0.00 55.95 56.07 1jey s SER 319 Cb -0.12 -0.09 0.05 0.00 -1.71 0.00 0.00 66.02 64.15 1jey s SER 319 CO 0.02 -0.02 0.19 -1.58 1.20 0.00 0.00 173.24 173.05 1jey s GLN 320 N -1.76 0.12 -0.26 5.44 0.74 -0.96 -5.01 119.66 117.97 1jey s GLN 320 Ca 0.01 0.49 -0.06 0.00 0.05 0.00 0.00 55.36 55.85 1jey s GLN 320 Cb -0.10 -0.16 -0.01 0.00 1.10 0.00 0.00 33.01 33.84 1jey s GLN 320 CO 0.03 -0.20 0.04 0.42 -0.55 0.00 0.00 175.29 175.03 1jey s ILE 321 N 1.51 3.92 -0.18 -2.34 1.01 -1.26 -1.52 121.20 122.34 1jey s ILE 321 Ca -0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 1jey s ILE 321 Cb -0.11 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1jey s ILE 321 CO -0.07 0.28 -0.14 -0.31 0.00 0.00 0.00 174.94 174.69 1jey s TYR 322 N 1.54 2.82 0.00 3.97 1.51 -0.38 -4.93 117.35 121.87 1jey s TYR 322 Ca 0.05 -1.21 0.00 0.00 -1.01 0.00 0.00 57.07 54.90 1jey s TYR 322 Cb -0.16 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 1jey s TYR 322 CO 0.01 -0.60 0.00 0.41 -1.11 0.00 0.00 175.55 174.27 1jey n GLY 323 N 4.39 1.17 1.57 0.71 0.00 -1.26 -1.14 105.19 110.64 1jey n GLY 323 Ca -0.19 0.28 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1jey n GLY 323 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jey n SER 324 N 9.31 1.36 -4.08 1.61 3.41 -1.26 -5.06 113.62 118.90 1jey n SER 324 Ca 0.00 -2.39 -0.23 0.00 -0.26 0.00 0.00 58.87 56.00 1jey n SER 324 Cb 0.00 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.43 1jey n SER 324 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1jey s ARG 325 N -1.25 1.26 -0.14 4.33 3.52 -0.29 -5.13 118.95 121.24 1jey s ARG 325 Ca 0.34 -0.47 -0.07 0.00 -0.13 0.00 0.00 55.73 55.41 1jey s ARG 325 Cb 0.38 -1.16 -0.04 0.00 -1.56 0.00 0.00 34.95 32.56 1jey s ARG 325 CO -0.13 0.22 0.09 -1.14 -0.81 0.00 0.00 175.30 173.54 1jey s GLN 326 N -0.05 3.63 -0.20 5.12 0.74 -1.26 -1.25 119.66 126.38 1jey s GLN 326 Ca 0.00 -0.26 -0.00 0.00 0.05 0.00 0.00 55.36 55.15 1jey s GLN 326 Cb -0.08 -3.16 0.02 0.00 1.10 0.00 0.00 33.01 30.89 1jey s GLN 326 CO 0.01 0.54 -0.14 0.42 -0.55 0.00 0.00 175.29 175.56 1jey s ILE 327 N -0.37 2.41 -0.14 -2.34 1.01 -0.57 -5.00 121.20 116.18 1jey s ILE 327 Ca 0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1jey s ILE 327 Cb -0.12 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1jey s ILE 327 CO 0.02 0.42 0.00 -0.63 0.00 0.00 0.00 174.94 174.74 1jey s ILE 328 N 1.31 4.27 0.11 2.92 -1.09 -1.26 -2.27 121.20 125.18 1jey s ILE 328 Ca 0.03 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.25 1jey s ILE 328 Cb -0.14 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1jey s ILE 328 CO -0.09 0.51 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.28 1jey s LEU 329 N 0.02 2.48 0.56 2.97 1.43 0.18 -5.00 118.68 121.32 1jey s LEU 329 Ca 0.03 -0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 52.09 1jey s LEU 329 Cb -0.13 -0.24 -0.05 0.00 0.03 0.00 0.00 46.19 45.81 1jey s LEU 329 CO 0.02 -0.35 0.94 -1.61 0.23 0.00 0.00 176.35 175.59 1jey s GLU 330 N -3.40 3.64 0.14 1.70 0.41 -1.26 -0.48 118.70 119.45 1jey s GLU 330 Ca 0.11 0.62 -0.18 0.00 -0.41 0.00 0.00 54.97 55.10 1jey s GLU 330 Cb 0.01 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 1jey s GLU 330 CO -0.01 -0.40 1.74 -0.22 -0.49 0.00 0.00 175.26 175.87 1jey h LYS 331 N 0.09 0.16 -0.97 1.61 3.64 -1.93 -1.46 116.57 117.71 1jey h LYS 331 Ca -0.45 -0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1jey h LYS 331 Cb 1.19 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 1jey h LYS 331 CO 0.62 0.11 0.64 0.93 -2.27 0.00 0.00 179.45 179.48 1jey h GLU 332 N 0.17 0.39 0.00 1.90 5.08 -1.99 -0.88 114.58 119.25 1jey h GLU 332 Ca 0.12 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 1jey h GLU 332 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1jey h GLU 332 CO -0.15 0.26 -0.91 0.93 -1.00 0.00 0.00 179.01 178.14 1jey h GLU 333 N 0.40 0.00 0.00 2.33 5.08 -1.65 -2.10 114.58 118.64 1jey h GLU 333 Ca 0.53 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.85 1jey h GLU 333 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1jey h GLU 333 CO -0.22 0.91 -0.16 1.79 -1.00 0.00 0.00 179.01 180.32 1jey h THR 334 N 0.00 0.49 0.18 1.13 1.35 -0.68 -1.95 112.91 113.43 1jey h THR 334 Ca -0.01 -0.83 -0.35 0.00 -0.55 0.00 0.00 66.41 64.66 1jey h THR 334 Cb 1.63 1.58 0.01 0.00 -1.73 0.00 0.00 68.15 69.63 1jey h THR 334 CO 0.12 0.16 -1.80 -0.33 -0.25 0.00 0.00 175.52 173.42 1jey h GLU 335 N 0.00 0.37 -0.99 4.72 4.39 -1.44 -3.37 114.58 118.27 1jey h GLU 335 Ca -0.00 -0.64 0.03 0.00 0.34 0.00 0.00 59.36 59.09 1jey h GLU 335 Cb 0.56 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 29.39 1jey h GLU 335 CO 0.02 1.31 0.65 1.49 -1.16 0.00 0.00 179.01 181.31 1jey h GLU 336 N 0.10 1.22 0.00 2.33 4.57 -1.05 -0.83 114.58 120.92 1jey h GLU 336 Ca -0.36 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1jey h GLU 336 Cb 2.09 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 30.40 1jey h GLU 336 CO 0.16 0.81 0.00 1.47 -1.18 0.00 0.00 179.01 180.27 1jey n LEU 337 N -4.45 0.00 0.01 1.64 -0.00 -0.76 -1.00 117.00 112.44 1jey n LEU 337 Ca 0.13 0.29 0.11 0.00 -0.00 0.00 0.00 56.01 56.54 1jey n LEU 337 Cb 0.09 -0.29 -0.02 0.00 -0.00 0.00 0.00 43.42 43.20 1jey n LEU 337 CO 0.35 -0.17 -0.05 0.29 -0.00 0.00 0.00 177.39 177.80 1jey n LYS 338 N -1.29 0.22 -2.64 1.47 5.02 -0.32 -4.95 118.16 115.67 1jey n LYS 338 Ca 0.06 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 1jey n LYS 338 Cb 0.10 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1jey n LYS 338 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jey s ARG 339 N -3.16 4.46 0.00 1.97 3.52 -0.17 -2.57 118.95 123.00 1jey s ARG 339 Ca 0.04 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 1jey s ARG 339 Cb 0.15 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1jey s ARG 339 CO 0.82 -0.23 0.00 1.19 -0.81 0.00 0.00 175.30 176.27 1jey n PHE 340 N 4.55 0.00 -3.01 5.12 3.01 -1.26 -5.02 117.46 120.85 1jey n PHE 340 Ca 0.08 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.30 1jey n PHE 340 Cb 0.49 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.97 1jey n PHE 340 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1jey s ASP 341 N 1.00 5.98 0.60 4.37 1.01 -1.26 -5.09 116.67 123.28 1jey s ASP 341 Ca 0.00 0.42 -0.13 0.00 0.71 0.00 0.00 52.55 53.55 1jey s ASP 341 Cb 0.00 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 1jey s ASP 341 CO 0.00 -0.61 1.02 -1.81 0.21 0.00 0.00 175.17 173.99 1jey s ASP 342 N -4.17 6.16 0.32 0.27 1.01 -1.26 -4.73 116.67 114.27 1jey s ASP 342 Ca 0.46 1.54 -0.29 0.00 0.71 0.00 0.00 52.55 54.98 1jey s ASP 342 Cb -0.10 -2.49 -0.13 0.00 1.01 0.00 0.00 42.92 41.21 1jey s ASP 342 CO 0.39 -0.91 1.29 -2.65 0.21 0.00 0.00 175.17 173.49 1jey n PRO 343 N -2.38 2.03 -1.62 8.23 -0.02 -1.26 -4.75 135.00 135.24 1jey n PRO 343 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1jey n PRO 343 Cb 0.54 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1jey n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jey n GLY 344 N 1.10 -0.01 2.99 -1.23 0.00 0.11 -4.70 105.19 103.45 1jey n GLY 344 Ca 0.07 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 1jey n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jey s LEU 345 N 0.00 1.96 -0.27 0.99 1.43 -0.42 -1.71 118.68 120.65 1jey s LEU 345 Ca 0.00 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.31 1jey s LEU 345 Cb 0.00 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 1jey s LEU 345 CO 0.00 -0.12 0.11 -0.04 0.23 0.00 0.00 176.35 176.53 1jey s MET 346 N 1.46 3.56 0.12 1.70 -1.94 -0.62 -0.57 119.30 123.02 1jey s MET 346 Ca 0.01 -0.56 -0.31 0.00 -1.71 0.00 0.00 55.69 53.12 1jey s MET 346 Cb -0.15 -3.44 -0.09 0.00 2.01 0.00 0.00 34.83 33.16 1jey s MET 346 CO -0.09 -0.27 1.60 -1.17 -0.01 0.00 0.00 175.02 175.08 1jey s LEU 347 N 1.63 4.37 -0.21 -0.03 2.96 -0.48 -0.99 118.68 125.93 1jey s LEU 347 Ca 0.06 2.55 0.14 0.00 -0.22 0.00 0.00 54.13 56.66 1jey s LEU 347 Cb -0.16 -3.58 -0.23 0.00 0.50 0.00 0.00 46.19 42.72 1jey s LEU 347 CO 0.05 -0.85 0.01 0.23 -1.32 0.00 0.00 176.35 174.48 1jey n MET 348 N 4.69 0.75 -2.63 1.98 2.81 0.19 -4.92 117.12 119.99 1jey n MET 348 Ca 0.15 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1jey n MET 348 Cb 0.39 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1jey n MET 348 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jey n GLY 349 N 1.89 -0.31 3.23 3.03 0.00 -1.12 -4.98 105.19 106.92 1jey n GLY 349 Ca -0.35 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 1jey n GLY 349 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jey s PHE 350 N -2.81 2.49 -0.09 1.61 0.40 -1.26 0.42 117.98 118.74 1jey s PHE 350 Ca 0.00 -0.93 0.03 0.00 -0.60 0.00 0.00 56.93 55.42 1jey s PHE 350 Cb 0.00 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.88 1jey s PHE 350 CO 0.00 -0.35 -0.18 0.21 0.70 0.00 0.00 175.22 175.60 1jey s LYS 351 N 0.19 2.45 0.19 0.44 2.20 0.65 -4.89 119.74 120.96 1jey s LYS 351 Ca -0.14 -0.66 -0.33 0.00 -0.36 0.00 0.00 55.97 54.48 1jey s LYS 351 Cb -0.17 -1.94 -0.14 0.00 -1.51 0.00 0.00 37.83 34.08 1jey s LYS 351 CO 0.07 0.07 1.49 -0.35 -0.36 0.00 0.00 175.35 176.27 1jey n PRO 352 N 3.79 2.03 -0.23 4.03 -0.04 -1.26 -0.02 135.00 143.30 1jey n PRO 352 Ca -0.20 0.73 0.23 0.00 -0.04 0.00 0.00 63.50 64.22 1jey n PRO 352 Cb 0.52 -2.44 0.59 0.00 -0.04 0.00 0.00 33.50 32.13 1jey n PRO 352 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1jey h LEU 353 N 5.10 0.26 -2.54 1.53 3.38 -1.60 -1.01 115.31 120.43 1jey h LEU 353 Ca -0.45 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1jey h LEU 353 Cb 1.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1jey h LEU 353 CO 0.82 0.09 0.00 -0.37 0.09 0.00 0.00 178.44 179.08 1jey h VAL 354 N 0.25 0.00 -0.00 1.22 -1.51 -1.90 -1.32 116.25 112.99 1jey h VAL 354 Ca 0.47 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.85 1jey h VAL 354 Cb 1.42 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1jey h VAL 354 CO -0.13 0.00 -0.03 0.18 -1.23 0.00 0.00 177.57 176.36 1jey n LEU 355 N -2.99 0.48 -4.42 4.19 4.77 -0.38 -4.69 117.00 113.96 1jey n LEU 355 Ca -0.02 -0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.47 1jey n LEU 355 Cb 0.11 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 1jey n LEU 355 CO 0.20 0.08 -0.20 -0.76 -1.33 0.00 0.00 177.39 175.39 1jey s LEU 356 N -2.15 4.23 0.21 2.23 1.43 -0.50 -5.07 118.68 119.05 1jey s LEU 356 Ca 0.40 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 1jey s LEU 356 Cb 0.21 -2.00 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 1jey s LEU 356 CO 0.39 -0.23 0.85 -0.54 0.23 0.00 0.00 176.35 177.05 1jey s LYS 357 N 1.60 4.68 0.33 1.70 1.02 -1.26 -4.96 119.74 122.85 1jey s LYS 357 Ca 0.04 1.30 0.02 0.00 0.02 0.00 0.00 55.97 57.35 1jey s LYS 357 Cb -0.17 -3.24 0.59 0.00 -0.52 0.00 0.00 37.83 34.49 1jey s LYS 357 CO 0.06 0.53 1.93 -0.22 -0.92 0.00 0.00 175.35 176.74 1jey h LYS 358 N 4.17 0.73 -0.71 1.68 3.64 -1.97 -2.76 116.57 121.34 1jey h LYS 358 Ca -0.46 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1jey h LYS 358 Cb 1.20 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1jey h LYS 358 CO 0.67 0.58 0.00 -2.39 -2.27 0.00 0.00 179.45 176.04 1jey n HIS 359 N -4.36 0.69 -0.44 1.91 1.44 -1.26 -3.73 115.22 109.47 1jey n HIS 359 Ca 0.04 -0.25 0.09 0.00 -2.01 0.00 0.00 57.72 55.58 1jey n HIS 359 Cb 0.14 -0.20 0.27 0.00 0.12 0.00 0.00 29.99 30.32 1jey n HIS 359 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1jey n HIS 360 N 0.26 0.93 -1.53 -1.40 8.25 -1.04 -5.01 115.22 115.67 1jey n HIS 360 Ca 0.10 -0.57 -0.45 0.00 -0.26 0.00 0.00 57.72 56.55 1jey n HIS 360 Cb 0.52 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.51 1jey n HIS 360 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1jey n TYR 361 N 0.87 0.65 0.00 4.41 9.36 -1.24 -4.43 117.16 126.78 1jey n TYR 361 Ca 0.20 0.74 0.00 0.00 3.32 0.00 0.00 57.90 62.16 1jey n TYR 361 Cb 0.65 -2.15 0.00 0.00 -0.63 0.00 0.00 39.34 37.21 1jey n TYR 361 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1jey n LEU 362 N 1.35 2.05 -3.49 2.98 7.94 -1.26 -4.99 117.00 121.58 1jey n LEU 362 Ca 0.12 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.92 1jey n LEU 362 Cb 0.32 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.25 1jey n LEU 362 CO 0.58 0.33 0.62 0.00 -1.11 0.00 0.00 177.39 177.82 1jey s ARG 363 N -1.78 0.91 0.17 1.96 1.70 -1.26 -5.12 118.95 115.52 1jey s ARG 363 Ca 0.00 -0.27 -0.32 0.00 -0.47 0.00 0.00 55.73 54.66 1jey s ARG 363 Cb 0.00 0.42 -0.16 0.00 -0.57 0.00 0.00 34.95 34.64 1jey s ARG 363 CO 0.00 -0.38 1.04 -0.35 -1.08 0.00 0.00 175.30 174.52 1jey n PRO 364 N -0.14 0.88 -1.76 3.89 -0.04 -1.26 -4.66 135.00 131.91 1jey n PRO 364 Ca -0.11 0.31 -0.32 0.00 -0.04 0.00 0.00 63.50 63.34 1jey n PRO 364 Cb 0.62 -1.72 0.04 0.00 -0.04 0.00 0.00 33.50 32.40 1jey n PRO 364 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1jey s SER 365 N -0.22 5.45 0.49 3.54 0.01 -1.26 -4.85 113.70 116.87 1jey s SER 365 Ca 0.72 1.75 0.06 0.00 1.31 0.00 0.00 55.95 59.78 1jey s SER 365 Cb -0.89 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 62.82 1jey s SER 365 CO 0.54 -1.39 0.29 -0.76 0.41 0.00 0.00 173.24 172.33 1jey s LEU 366 N -5.08 2.82 -0.06 2.44 1.43 -0.51 -4.70 118.68 115.02 1jey s LEU 366 Ca 0.61 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1jey s LEU 366 Cb -0.16 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1jey s LEU 366 CO 0.46 -0.88 -0.18 0.12 0.23 0.00 0.00 176.35 176.10 1jey s PHE 367 N -2.71 1.91 -0.16 0.29 5.36 0.12 -0.43 117.98 122.35 1jey s PHE 367 Ca 0.33 -0.64 -0.04 0.00 -0.96 0.00 0.00 56.93 55.62 1jey s PHE 367 Cb -0.00 -1.30 -0.03 0.00 -0.34 0.00 0.00 43.02 41.35 1jey s PHE 367 CO 0.20 -0.25 -0.04 0.08 -1.46 0.00 0.00 175.22 173.75 1jey s VAL 368 N 0.22 3.84 0.01 3.12 1.01 -0.39 -0.41 120.40 127.79 1jey s VAL 368 Ca -0.09 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1jey s VAL 368 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1jey s VAL 368 CO 0.04 0.48 -0.03 -0.47 0.00 0.00 0.00 175.10 175.12 1jey s TYR 369 N 0.52 0.29 0.28 5.22 5.04 -0.70 -2.64 117.35 125.36 1jey s TYR 369 Ca -0.03 -0.27 -0.30 0.00 -2.44 0.00 0.00 57.07 54.03 1jey s TYR 369 Cb -0.14 -0.19 -0.10 0.00 0.35 0.00 0.00 41.96 41.88 1jey s TYR 369 CO 0.03 -0.08 1.47 -1.25 -1.34 0.00 0.00 175.55 174.38 1jey s PRO 370 N -0.77 4.23 -0.66 4.97 0.04 -1.26 0.13 135.00 141.67 1jey s PRO 370 Ca -0.07 2.39 -0.06 0.00 0.04 0.00 0.00 61.00 63.30 1jey s PRO 370 Cb -0.05 -3.07 0.17 0.00 0.04 0.00 0.00 34.50 31.59 1jey s PRO 370 CO -0.00 -0.46 0.51 -2.00 0.04 0.00 0.00 177.00 175.09 1jey s GLU 371 N -0.74 2.80 0.59 4.56 2.56 -0.18 -4.68 118.70 123.62 1jey s GLU 371 Ca 0.58 -2.45 0.38 0.00 0.00 0.00 0.00 54.97 53.49 1jey s GLU 371 Cb -0.44 -3.91 1.84 0.00 2.00 0.00 0.00 34.13 33.62 1jey s GLU 371 CO 0.47 -1.20 2.15 1.49 -0.56 0.00 0.00 175.26 177.61 1jey h GLU 372 N 7.33 0.00 0.00 4.30 4.57 -1.83 -3.04 114.58 125.91 1jey h GLU 372 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1jey h GLU 372 Cb 0.98 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1jey h GLU 372 CO 0.73 0.00 -0.21 0.66 -1.18 0.00 0.00 179.01 179.01 1jey h SER 373 N 0.00 0.00 0.00 1.04 4.64 -1.96 -3.33 113.55 113.94 1jey h SER 373 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1jey h SER 373 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1jey h SER 373 CO 0.00 0.21 -0.99 0.18 -0.87 0.00 0.00 176.83 175.36 1jey n LEU 374 N -3.36 1.87 -4.11 5.97 4.77 -1.15 -4.85 117.00 116.14 1jey n LEU 374 Ca 0.00 0.49 -0.34 0.00 -0.03 0.00 0.00 56.01 56.13 1jey n LEU 374 Cb 0.43 -0.85 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 1jey n LEU 374 CO 0.33 -0.17 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.21 1jey s VAL 375 N -2.46 2.79 0.26 4.08 1.01 -1.23 -5.05 120.40 119.79 1jey s VAL 375 Ca -0.24 -1.81 -0.30 0.00 0.00 0.00 0.00 61.98 59.64 1jey s VAL 375 Cb 0.05 -2.78 -0.11 0.00 0.00 0.00 0.00 36.38 33.53 1jey s VAL 375 CO 0.37 -0.35 1.57 -0.63 0.00 0.00 0.00 175.10 176.05 1jey s ILE 376 N 1.12 2.27 0.00 2.22 1.01 -1.25 -2.05 121.20 124.52 1jey s ILE 376 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1jey s ILE 376 Cb -0.20 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1jey s ILE 376 CO -0.04 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1jey n GLY 377 N 2.54 1.24 0.32 6.18 0.00 -1.26 -4.98 105.19 109.23 1jey n GLY 377 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1jey n GLY 377 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jey h SER 378 N 0.00 0.82 -0.58 1.61 0.02 -1.75 -3.09 113.55 110.57 1jey h SER 378 Ca 0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1jey h SER 378 Cb 0.00 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1jey h SER 378 CO 0.00 0.53 0.25 0.28 -1.14 0.00 0.00 176.83 176.75 1jey h SER 379 N 0.96 0.79 0.20 3.07 0.02 -1.90 -0.21 113.55 116.48 1jey h SER 379 Ca 0.37 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1jey h SER 379 Cb 0.17 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1jey h SER 379 CO -0.17 0.73 -0.09 0.74 -1.14 0.00 0.00 176.83 176.89 1jey h THR 380 N 0.80 0.81 -0.22 -2.27 2.02 -1.98 0.50 112.91 112.58 1jey h THR 380 Ca 0.20 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1jey h THR 380 Cb 0.17 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1jey h THR 380 CO -0.02 0.01 0.12 0.25 0.37 0.00 0.00 175.52 176.25 1jey h LEU 381 N -0.28 0.28 -0.14 2.58 6.46 -1.48 -1.83 115.31 120.90 1jey h LEU 381 Ca -0.03 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.69 1jey h LEU 381 Cb 0.22 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.02 1jey h LEU 381 CO 0.04 0.29 -0.22 0.15 -0.62 0.00 0.00 178.44 178.08 1jey h PHE 382 N 0.25 -0.59 -0.99 1.25 3.57 -0.83 -0.57 116.94 119.04 1jey h PHE 382 Ca 0.08 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1jey h PHE 382 Cb 0.07 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.01 1jey h PHE 382 CO -0.03 -0.30 0.61 0.77 -2.23 0.00 0.00 178.31 177.12 1jey h SER 383 N -0.28 0.89 -0.19 0.41 0.02 0.28 0.42 113.55 115.11 1jey h SER 383 Ca 0.10 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1jey h SER 383 Cb 0.43 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1jey h SER 383 CO -0.30 0.46 0.00 0.00 -1.14 0.00 0.00 176.83 175.85 1jey h ALA 384 N 1.54 0.25 -0.71 3.77 0.00 -0.70 0.10 119.26 123.51 1jey h ALA 384 Ca 0.49 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1jey h ALA 384 Cb 0.51 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1jey h ALA 384 CO -0.27 -0.04 0.43 -0.07 0.00 0.00 0.00 179.25 179.29 1jey h LEU 385 N 0.08 0.67 -0.20 0.00 3.38 -0.39 -0.67 115.31 118.17 1jey h LEU 385 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1jey h LEU 385 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1jey h LEU 385 CO 0.01 0.44 0.06 0.25 0.09 0.00 0.00 178.44 179.30 1jey h LEU 386 N 0.80 0.29 -0.47 1.67 5.85 -0.68 0.77 115.31 123.55 1jey h LEU 386 Ca 0.30 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1jey h LEU 386 Cb 0.11 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1jey h LEU 386 CO -0.15 0.42 0.31 0.40 -0.34 0.00 0.00 178.44 179.08 1jey h ILE 387 N 0.15 1.11 0.01 4.05 2.04 -0.41 -2.11 117.51 122.34 1jey h ILE 387 Ca 0.06 -0.21 -0.22 0.00 1.00 0.00 0.00 64.86 65.49 1jey h ILE 387 Cb 0.23 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1jey h ILE 387 CO -0.00 0.11 -0.94 0.11 0.00 0.00 0.00 178.15 177.43 1jey h LYS 388 N 0.62 0.36 -0.25 2.37 1.79 -1.08 -2.59 116.57 117.80 1jey h LYS 388 Ca 0.18 -0.39 -0.05 0.00 -2.18 0.00 0.00 60.65 58.20 1jey h LYS 388 Cb -0.05 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1jey h LYS 388 CO -0.05 1.08 -0.08 0.00 -1.08 0.00 0.00 179.45 179.32 1jey h LEU 390 N 0.37 0.17 -1.11 0.00 3.38 -1.28 -0.90 115.31 115.95 1jey h LEU 390 Ca 0.08 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1jey h LEU 390 Cb 0.38 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1jey h LEU 390 CO 0.02 0.52 0.49 -0.33 0.09 0.00 0.00 178.44 179.22 1jey h GLU 391 N -0.17 1.10 -0.09 1.13 5.08 -1.25 -2.45 114.58 117.93 1jey h GLU 391 Ca 0.02 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1jey h GLU 391 Cb 0.45 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1jey h GLU 391 CO 0.01 0.77 0.00 1.63 -1.00 0.00 0.00 179.01 180.42 1jey n LYS 392 N -4.38 1.76 -3.98 2.33 5.02 -0.70 -4.94 118.16 113.28 1jey n LYS 392 Ca 0.09 -1.13 -0.26 0.00 -2.02 0.00 0.00 58.31 54.99 1jey n LYS 392 Cb 0.06 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 1jey n LYS 392 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jey n GLU 393 N 0.35 -3.23 -4.41 1.97 1.02 -0.43 -4.90 120.64 111.02 1jey n GLU 393 Ca 0.18 0.39 -0.25 0.00 -0.02 0.00 0.00 57.16 57.46 1jey n GLU 393 Cb 0.37 -4.54 -0.11 0.00 -0.02 0.00 0.00 31.44 27.14 1jey n GLU 393 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jey s VAL 394 N -3.94 2.21 0.13 2.62 1.01 -0.67 -1.57 120.40 120.19 1jey s VAL 394 Ca 0.05 -2.09 0.10 0.00 0.00 0.00 0.00 61.98 60.04 1jey s VAL 394 Cb -0.02 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1jey s VAL 394 CO 0.89 -0.25 -0.23 0.00 0.00 0.00 0.00 175.10 175.52 1jey s ALA 395 N -2.00 2.53 -0.44 5.51 0.00 0.97 -4.53 121.76 123.82 1jey s ALA 395 Ca 0.21 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 1jey s ALA 395 Cb -0.06 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1jey s ALA 395 CO 0.10 0.54 0.67 0.00 0.00 0.00 0.00 175.76 177.07 1jey s ALA 396 N -1.19 3.34 0.06 0.00 0.00 -0.84 -0.25 121.76 122.88 1jey s ALA 396 Ca 0.17 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 1jey s ALA 396 Cb -0.10 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1jey s ALA 396 CO 0.08 -1.79 0.91 -1.17 0.00 0.00 0.00 175.76 173.79 1jey s LEU 397 N 2.91 4.45 0.04 0.00 2.96 0.17 -0.47 118.68 128.73 1jey s LEU 397 Ca 0.24 1.66 -0.01 0.00 -0.22 0.00 0.00 54.13 55.80 1jey s LEU 397 Cb -0.14 -3.48 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1jey s LEU 397 CO 0.19 -0.09 -0.02 0.00 -1.32 0.00 0.00 176.35 175.11 1jey s ARG 399 N -2.83 3.99 -0.12 0.00 3.52 -0.16 -1.17 118.95 122.19 1jey s ARG 399 Ca -0.03 -0.25 -0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1jey s ARG 399 Cb 0.00 -3.63 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1jey s ARG 399 CO -0.06 -0.13 -0.10 -0.47 -0.81 0.00 0.00 175.30 173.73 1jey s TYR 400 N 1.62 2.87 -0.26 5.12 5.04 0.40 -1.59 117.35 130.56 1jey s TYR 400 Ca 0.09 -0.39 -0.03 0.00 -2.44 0.00 0.00 57.07 54.30 1jey s TYR 400 Cb -0.15 -1.82 0.08 0.00 0.35 0.00 0.00 41.96 40.42 1jey s TYR 400 CO 0.09 -0.03 0.09 0.99 -1.34 0.00 0.00 175.55 175.35 1jey s THR 401 N 0.03 0.46 0.22 4.34 2.01 -0.69 -1.96 115.64 120.05 1jey s THR 401 Ca -0.03 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 1jey s THR 401 Cb -0.14 -1.22 0.19 0.00 0.01 0.00 0.00 72.50 71.34 1jey s THR 401 CO 0.04 -0.52 1.87 -0.65 -0.69 0.00 0.00 174.62 174.67 1jey h PRO 402 N 8.24 1.14 -3.74 4.92 0.11 -1.92 0.32 132.00 141.07 1jey h PRO 402 Ca -0.16 -0.10 -0.17 0.00 0.11 0.00 0.00 66.00 65.68 1jey h PRO 402 Cb 1.06 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 31.87 1jey h PRO 402 CO 0.41 0.79 -0.05 -0.98 -0.21 0.00 0.00 178.00 177.96 1jey s ARG 403 N -6.00 1.94 0.63 1.05 1.70 -1.26 -4.81 118.95 112.21 1jey s ARG 403 Ca -0.13 -1.58 -0.17 0.00 -0.47 0.00 0.00 55.73 53.38 1jey s ARG 403 Cb 0.16 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 35.03 1jey s ARG 403 CO 0.80 -0.84 1.17 1.03 -1.08 0.00 0.00 175.30 176.38 1jey s ARG 404 N -3.02 2.81 -1.22 3.89 0.52 -1.26 -3.95 118.95 116.71 1jey s ARG 404 Ca 0.25 1.65 -0.03 0.00 -0.52 0.00 0.00 55.73 57.08 1jey s ARG 404 Cb -0.02 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.51 1jey s ARG 404 CO 0.16 -1.30 0.81 0.09 0.02 0.00 0.00 175.30 175.08 1jey n ASN 405 N -2.02 -2.66 -3.79 0.23 3.02 -1.26 -5.02 115.26 103.76 1jey n ASN 405 Ca 0.12 -0.78 -0.14 0.00 -0.03 0.00 0.00 54.58 53.75 1jey n ASN 405 Cb 0.51 -4.40 -0.15 0.00 -0.61 0.00 0.00 39.78 35.12 1jey n ASN 405 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1jey s ILE 406 N -3.54 -0.05 0.71 2.41 2.07 -1.22 -4.67 121.20 116.92 1jey s ILE 406 Ca 0.13 0.18 -0.16 0.00 -1.41 0.00 0.00 60.65 59.39 1jey s ILE 406 Cb -0.03 -0.08 0.03 0.00 0.13 0.00 0.00 42.46 42.51 1jey s ILE 406 CO 0.79 0.07 1.22 -2.84 -1.91 0.00 0.00 174.94 172.27 1jey s PRO 407 N 0.89 2.21 0.55 3.50 0.02 -1.06 -4.46 135.00 136.65 1jey s PRO 407 Ca -0.07 1.81 -0.15 0.00 0.02 0.00 0.00 61.00 62.61 1jey s PRO 407 Cb -0.11 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 1jey s PRO 407 CO -0.03 -1.79 1.01 -1.25 -0.33 0.00 0.00 177.00 174.61 1jey s PRO 408 N -3.81 3.77 -0.01 5.54 0.04 -1.26 -4.87 135.00 134.40 1jey s PRO 408 Ca 0.76 0.95 0.04 0.00 0.04 0.00 0.00 61.00 62.79 1jey s PRO 408 Cb -0.30 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1jey s PRO 408 CO 0.44 -0.43 -0.12 0.71 0.04 0.00 0.00 177.00 177.64 1jey s TYR 409 N -2.72 1.07 0.10 0.56 1.51 -0.83 -4.94 117.35 112.11 1jey s TYR 409 Ca 0.59 -0.21 -0.26 0.00 -1.01 0.00 0.00 57.07 56.18 1jey s TYR 409 Cb -0.11 -0.68 -0.07 0.00 -0.11 0.00 0.00 41.96 40.99 1jey s TYR 409 CO 0.37 -0.02 0.79 -0.06 -1.11 0.00 0.00 175.55 175.53 1jey s PHE 410 N -0.32 3.82 0.09 2.71 0.40 -1.26 -0.45 117.98 122.97 1jey s PHE 410 Ca 0.04 1.58 0.03 0.00 -0.60 0.00 0.00 56.93 57.98 1jey s PHE 410 Cb -0.05 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.62 1jey s PHE 410 CO -0.00 0.37 -0.08 0.14 0.70 0.00 0.00 175.22 176.35 1jey s VAL 411 N -0.52 0.79 -0.22 -0.44 -7.23 -0.32 -0.94 120.40 111.53 1jey s VAL 411 Ca 0.38 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1jey s VAL 411 Cb -0.22 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.28 1jey s VAL 411 CO 0.25 -0.70 -0.09 0.00 -0.31 0.00 0.00 175.10 174.25 1jey s ALA 412 N -2.93 2.65 -0.49 1.32 0.00 0.78 -1.25 121.76 121.83 1jey s ALA 412 Ca 0.07 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 1jey s ALA 412 Cb 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1jey s ALA 412 CO -0.02 -0.54 0.96 -0.51 0.00 0.00 0.00 175.76 175.65 1jey s LEU 413 N 1.38 3.97 -0.26 0.00 1.43 0.38 -1.18 118.68 124.39 1jey s LEU 413 Ca 0.04 0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 1jey s LEU 413 Cb -0.15 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 1jey s LEU 413 CO -0.06 -1.14 0.44 -0.69 0.23 0.00 0.00 176.35 175.13 1jey s VAL 414 N 3.94 5.13 0.22 -1.59 1.01 0.89 -1.99 120.40 128.02 1jey s VAL 414 Ca 0.36 0.72 -0.32 0.00 0.00 0.00 0.00 61.98 62.74 1jey s VAL 414 Cb -0.10 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 1jey s VAL 414 CO 0.25 0.13 1.44 -0.81 0.00 0.00 0.00 175.10 176.11 1jey n PRO 415 N 5.40 2.07 -3.80 2.72 -0.04 -1.26 0.59 135.00 140.67 1jey n PRO 415 Ca -0.06 0.74 -0.27 0.00 -0.04 0.00 0.00 63.50 63.86 1jey n PRO 415 Cb 0.50 -2.42 -0.17 0.00 -0.04 0.00 0.00 33.50 31.38 1jey n PRO 415 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1jey s GLN 416 N -0.16 0.96 0.21 0.54 0.74 0.99 -4.81 119.66 118.14 1jey s GLN 416 Ca 0.70 -0.43 -0.25 0.00 0.05 0.00 0.00 55.36 55.43 1jey s GLN 416 Cb -0.65 -1.96 -0.09 0.00 1.10 0.00 0.00 33.01 31.41 1jey s GLN 416 CO 0.47 -0.53 0.83 -2.00 -0.55 0.00 0.00 175.29 173.51 1jey s GLU 417 N 1.76 4.58 0.49 1.67 2.12 -1.26 -1.06 118.70 127.00 1jey s GLU 417 Ca -0.00 1.21 -0.24 0.00 0.36 0.00 0.00 54.97 56.30 1jey s GLU 417 Cb -0.16 -3.13 -0.07 0.00 0.26 0.00 0.00 34.13 31.03 1jey s GLU 417 CO -0.07 0.49 1.33 -1.91 -0.54 0.00 0.00 175.26 174.56 1jey n GLU 418 N 1.27 1.88 -3.76 4.30 2.13 -1.26 -4.70 120.64 120.51 1jey n GLU 418 Ca -0.03 0.68 -0.14 0.00 0.66 0.00 0.00 57.16 58.33 1jey n GLU 418 Cb 0.49 -2.52 -0.15 0.00 0.27 0.00 0.00 31.44 29.53 1jey n GLU 418 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1jey s GLU 419 N -2.56 0.06 0.04 5.31 2.12 -0.01 -4.95 118.70 118.70 1jey s GLU 419 Ca 0.66 0.32 0.08 0.00 0.36 0.00 0.00 54.97 56.38 1jey s GLU 419 Cb -0.45 -0.19 -0.03 0.00 0.26 0.00 0.00 34.13 33.72 1jey s GLU 419 CO 0.54 -0.16 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.38 1jey s LEU 420 N 1.11 2.47 0.00 2.70 1.43 -1.26 -0.24 118.68 124.90 1jey s LEU 420 Ca -0.09 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1jey s LEU 420 Cb -0.12 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1jey s LEU 420 CO -0.05 0.26 0.00 -0.90 0.23 0.00 0.00 176.35 175.89 1jey n ASP 421 N 1.65 0.00 0.31 2.29 5.68 -0.65 -4.89 116.55 120.94 1jey n ASP 421 Ca -0.16 -0.87 0.20 0.00 -0.50 0.00 0.00 54.79 53.46 1jey n ASP 421 Cb 0.52 0.00 1.00 0.00 -1.14 0.00 0.00 41.12 41.50 1jey n ASP 421 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1jey h ASP 422 N 0.00 0.00 0.37 -1.12 3.04 -2.01 -1.29 116.42 115.40 1jey h ASP 422 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1jey h ASP 422 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1jey h ASP 422 CO 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 179.24 176.87 1jey n GLN 423 N -3.11 0.48 -1.15 4.15 1.13 -1.26 -4.88 117.38 112.74 1jey n GLN 423 Ca -0.02 -0.27 0.00 0.00 -1.94 0.00 0.00 57.00 54.77 1jey n GLN 423 Cb 0.17 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1jey n GLN 423 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1jey n LYS 424 N -1.02 0.00 -3.02 -1.09 4.76 -0.49 -1.11 118.16 116.19 1jey n LYS 424 Ca 0.10 0.40 -0.39 0.00 -2.87 0.00 0.00 58.31 55.55 1jey n LYS 424 Cb 0.34 -3.83 -0.06 0.00 -1.84 0.00 0.00 35.03 29.64 1jey n LYS 424 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1jey s ILE 425 N -2.00 4.54 -0.75 -0.18 1.01 -1.26 -4.67 121.20 117.89 1jey s ILE 425 Ca 0.00 1.61 -0.26 0.00 0.00 0.00 0.00 60.65 62.00 1jey s ILE 425 Cb 0.00 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1jey s ILE 425 CO 0.00 0.47 1.51 -1.58 0.00 0.00 0.00 174.94 175.34 1jey s GLN 426 N -0.77 3.04 0.12 2.79 0.74 -1.26 -1.63 119.66 122.68 1jey s GLN 426 Ca 0.36 -0.11 -0.04 0.00 0.05 0.00 0.00 55.36 55.62 1jey s GLN 426 Cb -0.22 -4.43 -0.13 0.00 1.10 0.00 0.00 33.01 29.33 1jey s GLN 426 CO 0.24 -2.40 1.28 0.28 -0.55 0.00 0.00 175.29 174.14 1jey h VAL 427 N 6.44 1.42 -3.27 1.34 2.07 -0.96 -3.43 116.25 119.87 1jey h VAL 427 Ca -0.19 -2.57 -0.49 0.00 0.82 0.00 0.00 66.70 64.27 1jey h VAL 427 Cb 1.07 2.52 -0.39 0.00 -1.52 0.00 0.00 31.29 32.98 1jey h VAL 427 CO 1.28 0.76 -0.77 -0.89 0.02 0.00 0.00 177.57 177.97 1jey s THR 428 N -3.15 0.57 0.36 2.57 2.01 -0.89 -4.96 115.64 112.16 1jey s THR 428 Ca -0.05 -0.30 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 1jey s THR 428 Cb 0.08 -0.88 -0.09 0.00 0.01 0.00 0.00 72.50 71.62 1jey s THR 428 CO 0.87 0.04 1.13 -2.16 -0.69 0.00 0.00 174.62 173.81 1jey s PRO 429 N 1.86 4.28 0.05 4.92 0.04 -1.26 -0.83 135.00 144.05 1jey s PRO 429 Ca 0.02 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1jey s PRO 429 Cb -0.15 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 1jey s PRO 429 CO -0.07 -0.10 1.13 -1.25 0.04 0.00 0.00 177.00 176.75 1jey s PRO 430 N -2.05 4.48 0.00 0.56 0.04 -1.26 -4.50 135.00 132.26 1jey s PRO 430 Ca 0.53 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1jey s PRO 430 Cb -0.29 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1jey s PRO 430 CO 0.37 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.64 1jey n GLY 431 N 3.09 -0.54 3.16 0.56 0.00 -0.22 -4.93 105.19 106.31 1jey n GLY 431 Ca 0.08 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1jey n GLY 431 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jey s PHE 432 N -4.00 1.78 -0.31 1.61 0.40 -1.08 -0.00 117.98 116.37 1jey s PHE 432 Ca 0.00 -0.46 -0.24 0.00 -0.60 0.00 0.00 56.93 55.63 1jey s PHE 432 Cb 0.00 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.35 1jey s PHE 432 CO 0.00 -0.13 0.79 -1.14 0.70 0.00 0.00 175.22 175.45 1jey s GLN 433 N -0.13 3.94 -0.64 0.44 0.74 0.20 -1.27 119.66 122.94 1jey s GLN 433 Ca -0.00 0.56 -0.26 0.00 0.05 0.00 0.00 55.36 55.71 1jey s GLN 433 Cb -0.10 -3.74 0.04 0.00 1.10 0.00 0.00 33.01 30.31 1jey s GLN 433 CO 0.01 -0.71 1.13 -1.17 -0.55 0.00 0.00 175.29 174.01 1jey s LEU 434 N 3.00 3.64 -0.35 3.68 0.20 0.42 -0.07 118.68 129.20 1jey s LEU 434 Ca 0.33 -0.34 -0.13 0.00 0.69 0.00 0.00 54.13 54.68 1jey s LEU 434 Cb -0.14 -2.78 -0.01 0.00 -0.43 0.00 0.00 46.19 42.83 1jey s LEU 434 CO 0.13 -1.53 0.25 -0.69 -0.29 0.00 0.00 176.35 174.22 1jey s VAL 435 N 4.85 5.25 0.22 1.68 1.01 -0.32 -1.42 120.40 131.67 1jey s VAL 435 Ca 0.34 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1jey s VAL 435 Cb -0.10 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1jey s VAL 435 CO 0.18 -0.06 1.28 -0.36 0.00 0.00 0.00 175.10 176.15 1jey s PHE 436 N 1.71 3.27 -0.12 5.22 0.40 -1.26 -0.16 117.98 127.04 1jey s PHE 436 Ca 0.06 1.31 -0.02 0.00 -0.60 0.00 0.00 56.93 57.67 1jey s PHE 436 Cb -0.18 -3.57 -0.03 0.00 0.51 0.00 0.00 43.02 39.75 1jey s PHE 436 CO 0.10 -1.71 -0.03 -0.51 0.70 0.00 0.00 175.22 173.77 1jey s LEU 437 N -0.47 3.32 0.36 -0.37 1.43 -0.12 -4.45 118.68 118.39 1jey s LEU 437 Ca 0.54 -0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.34 1jey s LEU 437 Cb -0.36 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 1jey s LEU 437 CO 0.40 0.26 1.08 -2.16 0.23 0.00 0.00 176.35 176.16 1jey s PRO 438 N -0.16 4.29 0.70 1.29 0.04 -1.26 -4.38 135.00 135.53 1jey s PRO 438 Ca 0.03 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 62.65 1jey s PRO 438 Cb -0.13 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.70 1jey s PRO 438 CO 0.02 -0.06 1.03 -0.06 0.04 0.00 0.00 177.00 177.98 1jey s PHE 439 N -1.46 3.02 0.41 0.56 0.40 -1.26 -4.92 117.98 114.73 1jey s PHE 439 Ca 0.53 0.60 0.14 0.00 -0.60 0.00 0.00 56.93 57.60 1jey s PHE 439 Cb -0.27 -3.16 0.98 0.00 0.51 0.00 0.00 43.02 41.09 1jey s PHE 439 CO 0.34 -1.35 1.91 0.00 0.70 0.00 0.00 175.22 176.82 1jey h ALA 440 N -0.61 2.03 0.00 5.36 0.00 -1.96 -0.58 119.26 123.49 1jey h ALA 440 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1jey h ALA 440 Cb 1.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jey h ALA 440 CO 0.62 -0.23 -0.13 -0.44 0.00 0.00 0.00 179.25 179.07 1jey h ASP 441 N 0.49 0.00 0.77 0.00 5.19 -2.03 -2.27 116.42 118.57 1jey h ASP 441 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1jey h ASP 441 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1jey h ASP 441 CO -0.14 0.13 -0.01 0.47 -3.12 0.00 0.00 179.24 176.57 1jey n ASP 442 N -4.11 0.01 -4.86 6.45 8.00 -0.23 -4.80 116.55 117.02 1jey n ASP 442 Ca -0.02 0.15 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 1jey n ASP 442 Cb 0.21 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 1jey n ASP 442 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1jey s LYS 443 N -2.78 3.80 -0.06 -1.24 1.02 -0.86 -4.97 119.74 114.66 1jey s LYS 443 Ca 0.22 0.24 0.04 0.00 0.02 0.00 0.00 55.97 56.48 1jey s LYS 443 Cb 0.20 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 1jey s LYS 443 CO 0.50 0.56 -0.18 1.03 -0.92 0.00 0.00 175.35 176.34 1jey s ARG 444 N -1.83 2.04 0.47 1.68 0.52 -1.26 -5.04 118.95 115.52 1jey s ARG 444 Ca 0.33 -0.63 -0.05 0.00 -0.52 0.00 0.00 55.73 54.86 1jey s ARG 444 Cb -0.14 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 1jey s ARG 444 CO 0.18 0.19 0.77 0.21 0.02 0.00 0.00 175.30 176.67 1jey s LYS 445 N 0.23 3.55 -0.17 3.54 2.47 -1.26 -5.10 119.74 122.99 1jey s LYS 445 Ca -0.09 0.19 -0.15 0.00 -1.56 0.00 0.00 55.97 54.36 1jey s LYS 445 Cb -0.14 -2.39 0.05 0.00 -1.46 0.00 0.00 37.83 33.89 1jey s LYS 445 CO 0.04 -0.18 0.45 0.00 0.16 0.00 0.00 175.35 175.82 1jey s MET 446 N -4.69 0.51 0.45 4.03 0.23 -1.26 -5.16 119.30 113.41 1jey s MET 446 Ca 0.47 0.66 -0.22 0.00 -1.03 0.00 0.00 55.69 55.57 1jey s MET 446 Cb -0.10 0.22 -0.08 0.00 -1.53 0.00 0.00 34.83 33.33 1jey s MET 446 CO 0.44 -0.08 1.07 -1.25 -2.03 0.00 0.00 175.02 173.17 1jey s PRO 447 N 0.43 3.93 -0.01 3.16 0.04 -1.26 -5.05 135.00 136.23 1jey s PRO 447 Ca -0.02 1.52 0.05 0.00 0.04 0.00 0.00 61.00 62.60 1jey s PRO 447 Cb -0.04 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1jey s PRO 447 CO -0.02 -0.35 -0.16 -0.59 0.04 0.00 0.00 177.00 175.93 1jey s PHE 448 N -1.74 1.42 0.44 0.56 -0.12 -1.26 -5.14 117.98 112.14 1jey s PHE 448 Ca 0.63 -0.27 0.04 0.00 -0.05 0.00 0.00 56.93 57.27 1jey s PHE 448 Cb -0.22 -0.91 0.08 0.00 -0.63 0.00 0.00 43.02 41.34 1jey s PHE 448 CO 0.27 -0.02 0.61 0.25 -0.05 0.00 0.00 175.22 176.27 1jey n THR 449 N 2.67 0.00 -1.53 -4.49 -2.24 -1.26 -5.03 114.28 102.40 1jey n THR 449 Ca -0.15 -1.21 -0.41 0.00 -2.27 0.00 0.00 64.05 60.02 1jey n THR 449 Cb 0.54 -0.84 0.02 0.00 -2.10 0.00 0.00 70.33 67.95 1jey n THR 449 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jey n GLU 450 N -2.04 0.88 -2.80 -0.78 1.02 -1.26 -4.90 120.64 110.77 1jey n GLU 450 Ca 0.11 0.32 -0.42 0.00 -0.02 0.00 0.00 57.16 57.15 1jey n GLU 450 Cb 0.41 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1jey n GLU 450 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1jey s LYS 451 N -1.91 4.17 -0.29 3.49 2.20 -1.26 -5.02 119.74 121.12 1jey s LYS 451 Ca 0.65 1.05 -0.08 0.00 -0.36 0.00 0.00 55.97 57.23 1jey s LYS 451 Cb -0.55 -3.66 -0.00 0.00 -1.51 0.00 0.00 37.83 32.10 1jey s LYS 451 CO 0.56 -0.62 0.10 0.42 -0.36 0.00 0.00 175.35 175.46 1jey s ILE 452 N 3.06 4.23 0.07 5.43 1.01 -1.26 -5.09 121.20 128.65 1jey s ILE 452 Ca 0.39 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1jey s ILE 452 Cb -0.15 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1jey s ILE 452 CO 0.08 0.11 -0.01 -0.32 0.00 0.00 0.00 174.94 174.81 1jey s MET 453 N 1.56 2.57 0.57 2.79 1.75 -1.26 -5.12 119.30 122.15 1jey s MET 453 Ca 0.04 -0.80 -0.10 0.00 -1.25 0.00 0.00 55.69 53.58 1jey s MET 453 Cb -0.17 -2.55 -0.04 0.00 2.84 0.00 0.00 34.83 34.91 1jey s MET 453 CO 0.04 0.56 0.95 0.00 -0.65 0.00 0.00 175.02 175.92 1jey s ALA 454 N -1.25 3.19 0.56 4.11 0.00 -1.26 -5.08 121.76 122.02 1jey s ALA 454 Ca 0.24 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 1jey s ALA 454 Cb -0.12 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1jey s ALA 454 CO 0.16 -0.54 0.88 0.95 0.00 0.00 0.00 175.76 177.22 1jey s THR 455 N -2.99 4.33 0.40 0.00 -4.23 -1.26 -4.87 115.64 107.02 1jey s THR 455 Ca 0.53 0.25 0.11 0.00 -1.18 0.00 0.00 61.69 61.39 1jey s THR 455 Cb -0.11 -3.69 0.31 0.00 1.34 0.00 0.00 72.50 70.36 1jey s THR 455 CO 0.49 -0.74 1.97 1.55 -0.54 0.00 0.00 174.62 177.35 1jey h PRO 456 N -0.06 0.53 -0.49 3.99 0.13 -1.98 -0.98 132.00 133.14 1jey h PRO 456 Ca -0.46 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1jey h PRO 456 Cb 1.22 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1jey h PRO 456 CO 0.61 0.35 -0.02 1.49 -0.23 0.00 0.00 178.00 180.21 1jey h GLU 457 N 0.55 0.83 -0.06 0.86 4.81 -1.99 0.42 114.58 120.01 1jey h GLU 457 Ca 0.30 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 1jey h GLU 457 Cb 0.44 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.74 1jey h GLU 457 CO -0.09 0.85 -0.50 1.96 -0.73 0.00 0.00 179.01 180.50 1jey h GLN 458 N 0.77 0.44 -0.51 1.92 4.20 -1.68 -2.60 115.11 117.64 1jey h GLN 458 Ca 0.15 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1jey h GLN 458 Cb 0.49 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1jey h GLN 458 CO 0.02 1.04 0.27 0.28 -0.67 0.00 0.00 178.83 179.78 1jey h VAL 459 N -0.02 1.16 -0.21 -0.54 2.07 -1.13 -1.47 116.25 116.11 1jey h VAL 459 Ca -0.05 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1jey h VAL 459 Cb 1.17 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1jey h VAL 459 CO 0.10 0.18 0.07 1.23 0.02 0.00 0.00 177.57 179.17 1jey h GLY 460 N 0.79 0.35 0.89 2.17 0.00 -0.90 0.15 103.07 106.52 1jey h GLY 460 Ca 0.18 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.33 1jey h GLY 460 CO -0.03 0.20 0.46 0.50 0.00 0.00 0.00 176.54 177.66 1jey h LYS 461 N 0.17 0.87 -0.54 4.80 1.79 -0.99 -1.69 116.57 120.98 1jey h LYS 461 Ca 0.07 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1jey h LYS 461 Cb 0.23 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1jey h LYS 461 CO -0.00 0.57 -0.03 1.98 -1.08 0.00 0.00 179.45 180.89 1jey h MET 462 N 0.89 0.95 -0.42 3.15 4.05 -1.05 -2.20 114.93 120.30 1jey h MET 462 Ca 0.29 -0.30 0.05 0.00 -0.28 0.00 0.00 59.70 59.46 1jey h MET 462 Cb 0.00 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 1jey h MET 462 CO -0.10 0.95 0.16 0.87 0.23 0.00 0.00 176.91 179.02 1jey h LYS 463 N 0.87 0.33 -0.64 0.39 1.57 0.01 0.29 116.57 119.38 1jey h LYS 463 Ca 0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1jey h LYS 463 Cb 0.55 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1jey h LYS 463 CO 0.03 0.22 0.40 0.00 -0.57 0.00 0.00 179.45 179.53 1jey h ALA 464 N 1.26 1.51 -0.17 3.86 0.00 -1.05 0.09 119.26 124.77 1jey h ALA 464 Ca 0.19 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1jey h ALA 464 Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jey h ALA 464 CO -0.18 0.44 -0.32 0.82 0.00 0.00 0.00 179.25 180.00 1jey h ILE 465 N 0.87 1.35 -0.63 0.00 2.04 -0.61 -2.68 117.51 117.85 1jey h ILE 465 Ca 0.23 -1.57 0.04 0.00 1.00 0.00 0.00 64.86 64.56 1jey h ILE 465 Cb -0.07 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1jey h ILE 465 CO -0.05 0.48 0.37 0.58 0.00 0.00 0.00 178.15 179.53 1jey h VAL 466 N 0.16 1.04 0.00 1.67 2.07 0.13 -1.50 116.25 119.83 1jey h VAL 466 Ca 0.01 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1jey h VAL 466 Cb 0.92 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1jey h VAL 466 CO 0.07 0.13 -0.20 -0.08 0.02 0.00 0.00 177.57 177.51 1jey h GLU 467 N 0.72 0.00 -0.23 1.57 4.81 -0.98 -2.84 114.58 117.62 1jey h GLU 467 Ca 0.26 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 1jey h GLU 467 Cb 0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1jey h GLU 467 CO -0.13 0.20 -0.54 0.87 -0.73 0.00 0.00 179.01 178.69 1jey h LYS 468 N 0.00 0.69 -0.97 1.92 1.79 -0.92 -3.21 116.57 115.86 1jey h LYS 468 Ca -0.00 -0.43 -0.57 0.00 -2.18 0.00 0.00 60.65 57.48 1jey h LYS 468 Cb 0.44 0.05 -0.30 0.00 -1.58 0.00 0.00 32.23 30.84 1jey h LYS 468 CO 0.03 1.05 0.69 1.28 -1.08 0.00 0.00 179.45 181.42 1jey n LEU 469 N -3.98 6.98 -4.80 2.94 4.77 -1.05 -4.98 117.00 116.88 1jey n LEU 469 Ca -0.03 -3.87 -0.34 0.00 -0.03 0.00 0.00 56.01 51.73 1jey n LEU 469 Cb 0.61 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1jey n LEU 469 CO 0.48 1.22 0.67 -0.60 -1.33 0.00 0.00 177.39 177.83 1jey s ARG 470 N -3.49 4.26 0.20 3.23 3.52 -1.16 -5.04 118.95 120.47 1jey s ARG 470 Ca 0.59 1.23 -0.23 0.00 -0.13 0.00 0.00 55.73 57.20 1jey s ARG 470 Cb 0.49 -2.35 0.05 0.00 -1.56 0.00 0.00 34.95 31.57 1jey s ARG 470 CO 0.06 -0.01 0.72 -0.59 -0.81 0.00 0.00 175.30 174.67 1jey s PHE 471 N -1.97 -0.32 -0.40 5.12 -0.12 -1.26 -5.11 117.98 113.92 1jey s PHE 471 Ca 0.59 -0.01 -0.19 0.00 -0.05 0.00 0.00 56.93 57.27 1jey s PHE 471 Cb -0.13 0.64 0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1jey s PHE 471 CO 0.18 -1.01 0.55 0.99 -0.05 0.00 0.00 175.22 175.88 1jey s THR 472 N -3.73 4.96 0.16 -4.49 2.01 -1.26 -5.05 115.64 108.24 1jey s THR 472 Ca 0.07 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.95 1jey s THR 472 Cb -0.03 -4.07 -0.08 0.00 0.01 0.00 0.00 72.50 68.33 1jey s THR 472 CO -0.02 -0.40 0.76 -0.47 -0.69 0.00 0.00 174.62 173.80 1jey s TYR 473 N 2.51 3.90 -0.03 4.92 5.04 -1.26 -5.06 117.35 127.37 1jey s TYR 473 Ca 0.19 1.60 -0.00 0.00 -2.44 0.00 0.00 57.07 56.42 1jey s TYR 473 Cb -0.15 -2.75 0.03 0.00 0.35 0.00 0.00 41.96 39.44 1jey s TYR 473 CO 0.15 0.52 0.02 1.03 -1.34 0.00 0.00 175.55 175.93 1jey s ARG 474 N -1.13 0.14 0.55 4.97 0.52 -1.26 -5.03 118.95 117.70 1jey s ARG 474 Ca 0.35 0.15 0.19 0.00 -0.52 0.00 0.00 55.73 55.89 1jey s ARG 474 Cb -0.23 -0.41 1.01 0.00 0.52 0.00 0.00 34.95 35.85 1jey s ARG 474 CO 0.26 -0.17 1.52 0.66 0.02 0.00 0.00 175.30 177.59 1jey h SER 475 N 7.40 0.00 -0.31 0.23 4.64 -2.02 -1.23 113.55 122.26 1jey h SER 475 Ca -0.41 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.76 1jey h SER 475 Cb 1.13 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.13 1jey h SER 475 CO 0.44 0.00 -0.11 -0.90 -0.87 0.00 0.00 176.83 175.39 1jey n ASP 476 N -2.52 2.48 0.12 4.97 5.68 -1.26 -4.68 116.55 121.35 1jey n ASP 476 Ca -0.01 -3.74 0.09 0.00 -0.50 0.00 0.00 54.79 50.63 1jey n ASP 476 Cb 0.49 -0.62 0.03 0.00 -1.14 0.00 0.00 41.12 39.88 1jey n ASP 476 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1jey h SER 477 N 1.03 0.00 -3.73 -1.12 0.02 -1.65 -3.46 113.55 104.64 1jey h SER 477 Ca 0.19 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.45 1jey h SER 477 Cb 1.58 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.93 1jey h SER 477 CO 0.34 0.14 -0.71 -0.36 -1.14 0.00 0.00 176.83 175.11 1jey s PHE 478 N -3.22 2.89 0.14 3.45 0.40 -1.26 -5.05 117.98 115.33 1jey s PHE 478 Ca 0.01 -0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.38 1jey s PHE 478 Cb 0.08 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1jey s PHE 478 CO 0.76 0.31 0.07 -1.21 0.70 0.00 0.00 175.22 175.85 1jey s GLU 479 N -0.87 2.72 -0.60 0.44 2.02 -1.26 -5.06 118.70 116.09 1jey s GLU 479 Ca 0.13 -0.89 -0.28 0.00 0.02 0.00 0.00 54.97 53.95 1jey s GLU 479 Cb -0.11 -2.58 0.03 0.00 0.10 0.00 0.00 34.13 31.57 1jey s GLU 479 CO 0.02 0.50 1.26 1.21 0.02 0.00 0.00 175.26 178.28 1jey s ASN 480 N -2.79 6.32 0.26 -0.19 3.84 -1.26 -4.66 114.94 116.46 1jey s ASN 480 Ca 0.29 0.07 -0.05 0.00 0.21 0.00 0.00 52.86 53.38 1jey s ASN 480 Cb -0.11 -2.55 0.51 0.00 -0.55 0.00 0.00 41.25 38.56 1jey s ASN 480 CO 0.21 -1.59 1.62 -0.65 -2.79 0.00 0.00 177.10 173.89 1jey h PRO 481 N 10.01 0.08 -0.15 0.43 0.11 -1.97 -0.95 132.00 139.56 1jey h PRO 481 Ca -0.26 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1jey h PRO 481 Cb 1.06 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1jey h PRO 481 CO 1.20 0.05 0.06 0.28 -0.21 0.00 0.00 178.00 179.38 1jey h VAL 482 N 0.08 1.15 -0.08 3.15 2.07 -2.00 -1.90 116.25 118.73 1jey h VAL 482 Ca 0.46 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1jey h VAL 482 Cb 0.85 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1jey h VAL 482 CO -0.75 0.14 -0.00 -0.07 0.02 0.00 0.00 177.57 176.92 1jey h LEU 483 N 0.09 0.13 -0.42 2.57 3.38 -1.76 -2.28 115.31 117.02 1jey h LEU 483 Ca 0.05 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.79 1jey h LEU 483 Cb 0.17 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1jey h LEU 483 CO -0.00 0.41 -0.07 1.56 0.09 0.00 0.00 178.44 180.43 1jey h GLN 484 N -0.15 0.03 -0.59 1.13 1.08 -1.21 -0.95 115.11 114.45 1jey h GLN 484 Ca 0.02 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1jey h GLN 484 Cb 0.35 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1jey h GLN 484 CO 0.00 0.02 0.21 0.37 -0.95 0.00 0.00 178.83 178.48 1jey h GLN 485 N 0.03 0.86 -0.84 1.46 5.75 -1.33 -0.81 115.11 120.25 1jey h GLN 485 Ca 0.20 -0.15 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1jey h GLN 485 Cb 0.31 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 1jey h GLN 485 CO -0.40 0.73 0.55 1.25 -2.65 0.00 0.00 178.83 178.31 1jey h HIS 486 N 0.85 1.06 0.00 3.99 2.76 -0.58 0.46 115.15 123.68 1jey h HIS 486 Ca 0.20 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.21 1jey h HIS 486 Cb 0.21 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 1jey h HIS 486 CO 0.01 0.68 -0.97 0.74 -1.30 0.00 0.00 177.93 177.09 1jey h PHE 487 N 1.14 0.00 -0.61 5.26 -1.00 -1.09 -2.25 116.94 118.38 1jey h PHE 487 Ca 0.31 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.05 1jey h PHE 487 Cb -0.12 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.41 1jey h PHE 487 CO -0.01 0.80 0.24 0.00 -1.61 0.00 0.00 178.31 177.73 1jey h ARG 488 N 0.00 0.92 -0.60 1.51 2.47 -0.83 -0.26 114.38 117.59 1jey h ARG 488 Ca -0.06 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 1jey h ARG 488 Cb 1.66 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.80 1jey h ARG 488 CO 0.10 0.78 0.38 -0.91 0.56 0.00 0.00 179.97 180.88 1jey h ASN 489 N 0.86 0.71 -0.50 7.04 2.35 -0.80 -1.86 115.58 123.38 1jey h ASN 489 Ca 0.20 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1jey h ASN 489 Cb 0.21 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1jey h ASN 489 CO -0.02 0.54 0.12 -0.07 -1.65 0.00 0.00 177.43 176.35 1jey h LEU 490 N 0.82 0.81 -0.24 1.61 3.38 -1.06 -2.48 115.31 118.14 1jey h LEU 490 Ca 0.22 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1jey h LEU 490 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1jey h LEU 490 CO -0.04 0.80 0.12 -0.33 0.09 0.00 0.00 178.44 179.08 1jey h GLU 491 N 0.82 0.25 -0.46 1.13 5.08 -0.48 0.91 114.58 121.83 1jey h GLU 491 Ca 0.18 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1jey h GLU 491 Cb 0.33 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1jey h GLU 491 CO 0.00 0.17 0.24 0.00 -1.00 0.00 0.00 179.01 178.42 1jey h ALA 492 N 1.12 1.57 0.19 3.43 0.00 -1.09 -0.75 119.26 123.73 1jey h ALA 492 Ca 0.10 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 1jey h ALA 492 Cb 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 17.65 1jey h ALA 492 CO -0.06 0.36 -1.36 -0.07 0.00 0.00 0.00 179.25 178.12 1jey h LEU 493 N 0.63 0.74 -0.37 0.00 3.38 -0.99 -2.03 115.31 116.67 1jey h LEU 493 Ca 0.16 -0.76 -0.15 0.00 0.09 0.00 0.00 57.88 57.22 1jey h LEU 493 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1jey h LEU 493 CO -0.03 1.58 -0.72 0.00 0.09 0.00 0.00 178.44 179.37 1jey h ALA 494 N 0.31 0.69 -0.02 1.53 0.00 -0.66 -3.29 119.26 117.82 1jey h ALA 494 Ca -0.21 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1jey h ALA 494 Cb 2.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1jey h ALA 494 CO 0.25 0.90 -0.04 1.28 0.00 0.00 0.00 179.25 181.63 1jey n LEU 495 N -3.50 2.33 -3.60 0.00 4.77 -0.30 -4.96 117.00 111.73 1jey n LEU 495 Ca -0.00 -0.97 -0.20 0.00 -0.03 0.00 0.00 56.01 54.81 1jey n LEU 495 Cb 0.75 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.89 1jey n LEU 495 CO 0.43 0.41 -0.01 0.47 -1.33 0.00 0.00 177.39 177.37 1jey n ASP 496 N 0.83 -1.50 -4.79 -1.43 9.92 -0.83 -4.97 116.55 113.78 1jey n ASP 496 Ca 0.10 -0.75 -0.30 0.00 -0.53 0.00 0.00 54.79 53.31 1jey n ASP 496 Cb 0.42 -4.43 0.10 0.00 -0.64 0.00 0.00 41.12 36.57 1jey n ASP 496 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1jey s LEU 497 N -6.56 2.48 0.26 0.64 1.43 -0.83 -4.95 118.68 111.16 1jey s LEU 497 Ca 0.01 1.29 -0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1jey s LEU 497 Cb -0.00 -3.84 0.34 0.00 0.03 0.00 0.00 46.19 42.72 1jey s LEU 497 CO 0.78 -2.13 1.77 0.24 0.23 0.00 0.00 176.35 177.23 1jey h MET 498 N -1.20 0.79 -2.47 1.70 2.86 -1.93 -3.46 114.93 111.21 1jey h MET 498 Ca -0.48 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 56.90 1jey h MET 498 Cb 1.28 -0.09 -0.17 0.00 0.06 0.00 0.00 31.60 32.68 1jey h MET 498 CO 0.59 0.79 0.12 -1.83 1.06 0.00 0.00 176.91 177.64 1jey s GLU 499 N -5.00 1.07 -0.06 1.72 -1.05 -1.26 -5.13 118.70 109.00 1jey s GLU 499 Ca -0.09 -0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.38 1jey s GLU 499 Cb 0.15 0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 34.28 1jey s GLU 499 CO 0.81 -0.38 1.59 -2.14 0.95 0.00 0.00 175.26 176.10 1jey s PRO 500 N -2.06 4.19 0.53 -4.83 0.02 -1.26 -4.87 135.00 126.73 1jey s PRO 500 Ca -0.07 2.12 -0.21 0.00 0.02 0.00 0.00 61.00 62.86 1jey s PRO 500 Cb -0.01 -3.92 -0.07 0.00 0.02 0.00 0.00 34.50 30.53 1jey s PRO 500 CO 0.02 -0.81 1.04 -1.91 -0.33 0.00 0.00 177.00 175.01 1jey n GLU 501 N 6.91 1.19 -3.87 5.54 2.13 -1.26 -4.94 120.64 126.33 1jey n GLU 501 Ca 0.17 0.44 -0.36 0.00 0.66 0.00 0.00 57.16 58.07 1jey n GLU 501 Cb 0.43 -2.20 -0.12 0.00 0.27 0.00 0.00 31.44 29.82 1jey n GLU 501 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1jey s GLN 502 N -2.53 3.66 0.61 5.31 -1.52 -1.26 -4.71 119.66 119.22 1jey s GLN 502 Ca 0.71 -0.49 -0.18 0.00 -1.95 0.00 0.00 55.36 53.46 1jey s GLN 502 Cb -0.46 -3.23 -0.02 0.00 -0.22 0.00 0.00 33.01 29.08 1jey s GLN 502 CO 0.51 -0.09 1.16 0.00 -0.25 0.00 0.00 175.29 176.61 1jey s ALA 503 N 1.33 2.52 -0.39 6.09 0.00 -1.26 -4.99 121.76 125.06 1jey s ALA 503 Ca 0.05 0.82 -0.17 0.00 0.00 0.00 0.00 51.96 52.66 1jey s ALA 503 Cb -0.15 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1jey s ALA 503 CO 0.03 -1.15 0.42 0.08 0.00 0.00 0.00 175.76 175.13 1jey s VAL 504 N -1.89 5.11 -0.47 0.00 1.01 -1.26 -5.01 120.40 117.89 1jey s VAL 504 Ca 0.73 -0.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 1jey s VAL 504 Cb -0.26 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1jey s VAL 504 CO 0.35 -0.30 1.90 -0.62 0.00 0.00 0.00 175.10 176.43 1jey s ASP 505 N 1.78 5.44 0.00 3.32 -1.08 -1.26 -4.79 116.67 120.08 1jey s ASP 505 Ca 0.13 0.86 0.30 0.00 -0.52 0.00 0.00 52.55 53.31 1jey s ASP 505 Cb -0.17 -2.52 1.68 0.00 -1.46 0.00 0.00 42.92 40.44 1jey s ASP 505 CO 0.13 -2.14 2.09 0.18 0.52 0.00 0.00 175.17 175.95 1jey n LEU 506 N 12.05 0.00 0.02 -1.34 4.77 -1.26 -3.20 117.00 128.04 1jey n LEU 506 Ca 0.23 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1jey n LEU 506 Cb 0.50 -0.12 0.17 0.00 -2.33 0.00 0.00 43.42 41.64 1jey n LEU 506 CO 0.70 -0.01 0.31 0.35 -1.33 0.00 0.00 177.39 177.41 1jey n THR 507 N -1.12 0.14 -2.84 -5.08 -2.24 -1.26 -4.88 114.28 97.01 1jey n THR 507 Ca 0.19 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 1jey n THR 507 Cb 0.16 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 1jey n THR 507 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jey s LEU 508 N -3.57 4.42 0.41 3.22 1.43 -1.19 -5.02 118.68 118.37 1jey s LEU 508 Ca 0.08 1.57 -0.26 0.00 -1.03 0.00 0.00 54.13 54.49 1jey s LEU 508 Cb 0.16 -3.41 -0.09 0.00 0.03 0.00 0.00 46.19 42.88 1jey s LEU 508 CO 0.73 -0.12 1.30 -2.84 0.23 0.00 0.00 176.35 175.66 1jey s PRO 509 N 0.44 3.95 -1.36 1.29 0.02 -1.26 -4.90 135.00 133.18 1jey s PRO 509 Ca 0.45 2.15 -0.12 0.00 0.02 0.00 0.00 61.00 63.50 1jey s PRO 509 Cb -0.21 -2.74 0.10 0.00 0.02 0.00 0.00 34.50 31.67 1jey s PRO 509 CO 0.26 -0.50 2.03 1.63 -0.33 0.00 0.00 177.00 180.08 1jey n LYS 510 N 0.10 3.23 -0.13 5.54 5.02 -1.26 -4.86 118.16 125.80 1jey n LYS 510 Ca 0.04 -3.09 -0.04 0.00 -2.02 0.00 0.00 58.31 53.20 1jey n LYS 510 Cb 0.44 -3.13 -0.03 0.00 -0.02 0.00 0.00 35.03 32.29 1jey n LYS 510 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1jey h VAL 511 N 3.97 0.00 -0.55 -0.18 2.07 -1.99 -1.38 116.25 118.19 1jey h VAL 511 Ca 0.48 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.11 1jey h VAL 511 Cb 0.65 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.32 1jey h VAL 511 CO 1.73 0.00 -0.07 -0.33 0.02 0.00 0.00 177.57 178.92 1jey h GLU 512 N -0.02 0.05 -0.22 1.57 3.07 -2.00 0.64 114.58 117.67 1jey h GLU 512 Ca 0.05 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.94 1jey h GLU 512 Cb 0.15 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 1jey h GLU 512 CO -0.30 0.03 0.04 0.00 -1.40 0.00 0.00 179.01 177.38 1jey h ALA 513 N 1.53 0.22 -0.65 3.43 0.00 -1.92 -2.07 119.26 119.81 1jey h ALA 513 Ca 0.27 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1jey h ALA 513 Cb 0.43 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1jey h ALA 513 CO -0.52 -0.39 0.38 0.52 0.00 0.00 0.00 179.25 179.25 1jey h MET 514 N 0.12 0.71 -0.20 0.00 2.86 -0.22 -0.43 114.93 117.78 1jey h MET 514 Ca 0.10 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1jey h MET 514 Cb 0.10 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1jey h MET 514 CO -0.14 0.47 0.09 -0.91 1.06 0.00 0.00 176.91 177.48 1jey h ASN 515 N 0.73 0.12 -0.46 1.22 2.35 -0.50 -0.20 115.58 118.84 1jey h ASN 515 Ca 0.27 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1jey h ASN 515 Cb 0.09 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1jey h ASN 515 CO -0.14 0.10 0.20 0.50 -1.65 0.00 0.00 177.43 176.44 1jey h LYS 516 N 0.19 0.68 -0.32 0.81 3.64 -1.08 -1.50 116.57 119.00 1jey h LYS 516 Ca 0.08 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1jey h LYS 516 Cb 0.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1jey h LYS 516 CO -0.07 0.60 0.22 -0.09 -2.27 0.00 0.00 179.45 177.84 1jey h ARG 517 N 0.61 0.21 0.00 1.90 2.43 -0.67 -2.52 114.38 116.33 1jey h ARG 517 Ca 0.16 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1jey h ARG 517 Cb 0.16 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1jey h ARG 517 CO -0.02 0.14 -0.98 -0.07 -1.51 0.00 0.00 179.97 177.53 1jey h LEU 518 N 0.21 0.00 0.00 3.80 3.38 -0.54 -3.49 115.31 118.67 1jey h LEU 518 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jey h LEU 518 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jey h LEU 518 CO -0.02 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1jey n GLY 519 N 1.28 3.63 0.16 0.83 0.00 -0.61 -2.01 105.19 108.48 1jey n GLY 519 Ca -0.03 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1jey n GLY 519 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jey n SER 520 N 5.34 0.73 -0.24 1.61 3.41 -1.26 -4.20 113.62 119.01 1jey n SER 520 Ca 0.00 -0.65 0.23 0.00 -0.26 0.00 0.00 58.87 58.19 1jey n SER 520 Cb 0.00 0.05 0.59 0.00 -0.26 0.00 0.00 64.21 64.59 1jey n SER 520 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jey h LEU 521 N 0.80 0.27 0.20 1.04 3.38 -1.82 0.28 115.31 119.46 1jey h LEU 521 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jey h LEU 521 Cb 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1jey h LEU 521 CO 0.00 0.09 -0.09 0.58 0.09 0.00 0.00 178.44 179.11 1jey h VAL 522 N 0.26 0.90 -0.64 1.22 2.07 -1.77 -0.01 116.25 118.27 1jey h VAL 522 Ca 0.48 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1jey h VAL 522 Cb 1.44 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1jey h VAL 522 CO -0.14 0.16 0.43 0.44 0.02 0.00 0.00 177.57 178.48 1jey h ASP 523 N -0.66 0.72 0.15 0.57 3.32 -1.58 -1.30 116.42 117.65 1jey h ASP 523 Ca -0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1jey h ASP 523 Cb 0.47 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1jey h ASP 523 CO 0.04 0.51 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.68 1jey h GLU 524 N 0.85 -0.20 -0.53 3.56 5.08 -0.87 -2.27 114.58 120.19 1jey h GLU 524 Ca 0.24 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1jey h GLU 524 Cb -0.06 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 1jey h GLU 524 CO -0.06 -0.01 0.16 0.35 -1.00 0.00 0.00 179.01 178.45 1jey h PHE 525 N -0.35 0.27 -0.55 4.33 3.57 -0.51 -2.33 116.94 121.37 1jey h PHE 525 Ca -0.02 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1jey h PHE 525 Cb 0.28 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1jey h PHE 525 CO -0.02 0.06 0.27 0.87 -2.23 0.00 0.00 178.31 177.26 1jey h LYS 526 N 0.32 0.51 -0.13 1.11 1.57 -1.10 -1.71 116.57 117.14 1jey h LYS 526 Ca 0.26 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1jey h LYS 526 Cb 0.33 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1jey h LYS 526 CO -0.30 0.34 -0.01 0.93 -0.57 0.00 0.00 179.45 179.84 1jey h GLU 527 N 0.52 0.18 0.00 3.15 5.08 -0.88 0.38 114.58 123.01 1jey h GLU 527 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1jey h GLU 527 Cb 0.17 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1jey h GLU 527 CO -0.18 0.21 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.91 1jey h LEU 528 N 0.18 0.00 0.00 1.33 3.38 -1.00 -3.42 115.31 115.78 1jey h LEU 528 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jey h LEU 528 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1jey h LEU 528 CO 0.00 0.01 -0.89 0.52 0.09 0.00 0.00 178.44 178.17 1jey n VAL 529 N -2.56 0.00 -3.27 1.22 0.31 -0.68 -4.97 118.33 108.39 1jey n VAL 529 Ca 0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.98 1jey n VAL 529 Cb 0.47 -1.26 -0.07 0.00 -0.91 0.00 0.00 33.84 32.07 1jey n VAL 529 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1jey s TYR 530 N -1.98 3.31 0.42 3.52 4.12 0.12 -5.05 117.35 121.81 1jey s TYR 530 Ca 0.00 0.66 -0.26 0.00 0.02 0.00 0.00 57.07 57.49 1jey s TYR 530 Cb 0.00 -2.67 -0.09 0.00 -1.52 0.00 0.00 41.96 37.68 1jey s TYR 530 CO 0.00 -0.20 1.39 -2.14 0.02 0.00 0.00 175.55 174.62 1jey s PRO 531 N 1.99 3.86 0.64 -1.71 0.02 -1.26 -4.65 135.00 133.89 1jey s PRO 531 Ca 0.21 2.34 0.34 0.00 0.02 0.00 0.00 61.00 63.91 1jey s PRO 531 Cb -0.15 -2.74 1.85 0.00 0.02 0.00 0.00 34.50 33.47 1jey s PRO 531 CO 0.09 -0.65 2.04 -1.00 -0.33 0.00 0.00 177.00 177.15 1jey h PRO 532 N 2.56 0.00 -2.36 5.54 0.13 -1.96 -2.15 132.00 133.77 1jey h PRO 532 Ca -0.50 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.83 1jey h PRO 532 Cb 1.25 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.15 1jey h PRO 532 CO 0.62 0.00 1.36 -3.47 -0.23 0.00 0.00 178.00 176.28 1jey n ASP 533 N -2.90 7.49 -0.12 1.44 2.03 -1.26 -5.27 116.55 117.96 1jey n ASP 533 Ca -0.02 -3.55 0.01 0.00 0.52 0.00 0.00 54.79 51.75 1jey n ASP 533 Cb 0.27 -1.22 0.01 0.00 -0.72 0.00 0.00 41.12 39.46 1jey n ASP 533 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28