#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jey s LYS 7 N 0.00 0.78 0.01 1.20 2.20 -1.26 -4.85 119.74 117.81 1jey s LYS 7 Ca 0.00 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1jey s LYS 7 Cb 0.00 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.65 1jey s LYS 7 CO 0.00 -0.24 0.04 0.00 -0.36 0.00 0.00 175.35 174.79 1jey s ALA 8 N -2.39 -0.07 -0.25 3.13 0.00 -1.26 -1.47 121.76 119.45 1jey s ALA 8 Ca -0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 1jey s ALA 8 Cb -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1jey s ALA 8 CO -0.02 -0.14 0.09 0.00 0.00 0.00 0.00 175.76 175.68 1jey s ALA 9 N -1.09 3.24 -0.03 0.00 0.00 0.12 -0.48 121.76 123.51 1jey s ALA 9 Ca -0.12 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1jey s ALA 9 Cb -0.07 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 1jey s ALA 9 CO -0.00 -0.43 -0.17 0.08 0.00 0.00 0.00 175.76 175.24 1jey s VAL 10 N 1.51 1.41 -0.19 0.00 1.01 0.55 -0.20 120.40 124.49 1jey s VAL 10 Ca 0.06 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1jey s VAL 10 Cb -0.15 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1jey s VAL 10 CO 0.05 0.40 -0.19 -0.69 0.00 0.00 0.00 175.10 174.67 1jey s VAL 11 N -0.11 2.11 -0.25 2.92 1.01 0.01 -0.66 120.40 125.43 1jey s VAL 11 Ca -0.00 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 1jey s VAL 11 Cb -0.10 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1jey s VAL 11 CO 0.01 0.48 0.52 -0.76 0.00 0.00 0.00 175.10 175.35 1jey s LEU 12 N 1.28 4.07 -0.49 3.92 1.43 -0.25 -1.16 118.68 127.47 1jey s LEU 12 Ca 0.04 0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 53.60 1jey s LEU 12 Cb -0.14 -2.67 0.13 0.00 0.03 0.00 0.00 46.19 43.54 1jey s LEU 12 CO -0.12 -0.27 0.35 0.00 0.23 0.00 0.00 176.35 176.54 1jey s MET 14 N 1.17 3.53 -0.32 0.00 0.00 0.11 -1.00 119.30 122.79 1jey s MET 14 Ca 0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 55.69 55.57 1jey s MET 14 Cb -0.25 -3.18 -0.02 0.00 0.00 0.00 0.00 34.83 31.38 1jey s MET 14 CO -0.02 0.75 0.41 0.34 0.00 0.00 0.00 175.02 176.50 1jey s ASP 15 N -1.13 6.24 -0.21 1.11 -1.08 0.14 -0.54 116.67 121.19 1jey s ASP 15 Ca 0.18 0.01 0.12 0.00 -0.52 0.00 0.00 52.55 52.34 1jey s ASP 15 Cb -0.13 -2.22 0.44 0.00 -1.46 0.00 0.00 42.92 39.55 1jey s ASP 15 CO 0.07 -0.32 1.20 1.33 0.52 0.00 0.00 175.17 177.97 1jey n VAL 16 N 5.24 2.03 -1.69 1.11 0.24 0.11 -4.81 118.33 120.57 1jey n VAL 16 Ca -0.08 -3.27 -0.30 0.00 -2.04 0.00 0.00 64.34 58.65 1jey n VAL 16 Cb 0.50 -0.28 0.06 0.00 -1.47 0.00 0.00 33.84 32.64 1jey n VAL 16 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1jey s GLY 17 N -3.24 1.64 0.20 7.63 0.00 -1.18 0.14 107.32 112.50 1jey s GLY 17 Ca 0.41 -0.15 -0.24 0.00 0.00 0.00 0.00 44.72 44.74 1jey s GLY 17 CO -0.05 0.21 1.54 0.33 0.00 0.00 0.00 173.10 175.13 1jey n PHE 18 N -3.15 -0.19 0.14 1.90 7.35 0.73 -0.50 117.46 123.74 1jey n PHE 18 Ca 0.07 1.23 0.17 0.00 -0.76 0.00 0.00 57.45 58.17 1jey n PHE 18 Cb 0.55 -0.73 0.76 0.00 0.35 0.00 0.00 39.48 40.41 1jey n PHE 18 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1jey h THR 19 N 0.00 0.58 0.00 -2.13 1.35 -1.90 -1.75 112.91 109.06 1jey h THR 19 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1jey h THR 19 Cb 0.51 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1jey h THR 19 CO -0.96 0.00 0.00 0.24 -0.25 0.00 0.00 175.52 174.55 1jey h MET 20 N 0.00 0.00 -0.02 4.72 2.86 -1.14 -2.15 114.93 119.19 1jey h MET 20 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1jey h MET 20 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1jey h MET 20 CO -0.00 0.00 -0.20 0.43 1.06 0.00 0.00 176.91 178.20 1jey n SER 21 N -2.45 2.54 -4.54 1.22 7.64 -0.66 -0.73 113.62 116.64 1jey n SER 21 Ca -0.01 -1.77 -0.40 0.00 1.01 0.00 0.00 58.87 57.70 1jey n SER 21 Cb 0.07 0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 1jey n SER 21 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jey n ASN 22 N 0.74 2.21 -4.68 6.43 3.02 -0.81 -4.89 115.26 117.28 1jey n ASN 22 Ca 0.12 -0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 1jey n ASN 22 Cb 0.53 -1.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.21 1jey n ASN 22 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1jey s SER 23 N 10.36 7.05 -0.12 6.41 1.04 -1.26 -4.64 113.70 132.53 1jey s SER 23 Ca 1.05 1.28 -0.18 0.00 0.48 0.00 0.00 55.95 58.59 1jey s SER 23 Cb -0.45 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.15 1jey s SER 23 CO 0.34 -0.38 0.47 -0.63 0.98 0.00 0.00 173.24 174.02 1jey s ILE 24 N 1.96 5.19 -0.78 -1.02 1.01 -1.12 -4.93 121.20 121.52 1jey s ILE 24 Ca 0.41 0.94 -0.07 0.00 0.00 0.00 0.00 60.65 61.93 1jey s ILE 24 Cb -0.17 -3.81 -0.26 0.00 0.01 0.00 0.00 42.46 38.22 1jey s ILE 24 CO 0.15 0.33 1.84 -0.81 0.00 0.00 0.00 174.94 176.44 1jey n PRO 25 N 3.68 0.00 0.00 2.79 -0.04 -1.26 0.15 135.00 140.32 1jey n PRO 25 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1jey n PRO 25 Cb 0.52 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 1jey n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jey n GLY 26 N 5.03 2.91 3.53 0.55 0.00 -1.26 -5.04 105.19 110.91 1jey n GLY 26 Ca 0.53 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 1jey n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jey s ILE 27 N -2.76 5.28 0.31 -0.61 1.01 0.39 -5.05 121.20 119.77 1jey s ILE 27 Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.22 1jey s ILE 27 Cb 0.00 -3.72 -0.15 0.00 0.01 0.00 0.00 42.46 38.61 1jey s ILE 27 CO 0.00 -0.00 0.66 -0.62 0.00 0.00 0.00 174.94 174.97 1jey n GLU 28 N 5.13 0.61 -1.98 2.79 1.02 -1.26 -2.78 120.64 124.16 1jey n GLU 28 Ca -0.12 0.22 -0.32 0.00 -0.02 0.00 0.00 57.16 56.91 1jey n GLU 28 Cb 0.50 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 1jey n GLU 28 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1jey s SER 29 N -0.84 5.87 0.23 1.62 1.04 -1.26 -4.79 113.70 115.56 1jey s SER 29 Ca 0.62 1.70 -0.06 0.00 0.48 0.00 0.00 55.95 58.69 1jey s SER 29 Cb -0.74 -2.52 0.39 0.00 0.10 0.00 0.00 66.02 63.26 1jey s SER 29 CO 0.58 -1.11 1.74 -0.65 0.98 0.00 0.00 173.24 174.78 1jey h PRO 30 N 0.20 0.44 -0.39 4.02 0.11 -1.80 -0.97 132.00 133.61 1jey h PRO 30 Ca -0.46 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1jey h PRO 30 Cb 1.21 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 1jey h PRO 30 CO 0.58 0.29 -0.08 0.35 -0.21 0.00 0.00 178.00 178.94 1jey h PHE 31 N 0.45 -0.17 -0.21 0.65 3.57 -1.25 0.43 116.94 120.41 1jey h PHE 31 Ca 0.38 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.78 1jey h PHE 31 Cb 0.52 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1jey h PHE 31 CO -0.16 -0.15 -0.41 0.93 -2.23 0.00 0.00 178.31 176.29 1jey h GLU 32 N 0.02 0.50 -0.08 1.11 4.39 -1.61 -0.95 114.58 117.95 1jey h GLU 32 Ca 0.19 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1jey h GLU 32 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1jey h GLU 32 CO -0.38 0.83 -0.01 1.96 -1.16 0.00 0.00 179.01 180.25 1jey h GLN 33 N 0.41 0.16 -0.26 2.33 4.20 -0.46 -2.54 115.11 118.95 1jey h GLN 33 Ca 0.03 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1jey h GLN 33 Cb 0.90 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1jey h GLN 33 CO 0.08 0.45 0.01 0.00 -0.67 0.00 0.00 178.83 178.70 1jey h ALA 34 N 0.70 1.54 -0.32 3.87 0.00 -0.12 -2.08 119.26 122.85 1jey h ALA 34 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1jey h ALA 34 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jey h ALA 34 CO 0.01 0.34 -0.05 -0.22 0.00 0.00 0.00 179.25 179.32 1jey h LYS 35 N 0.37 0.52 -0.09 0.00 3.64 -1.00 -1.51 116.57 118.51 1jey h LYS 35 Ca 0.09 -0.13 -0.22 0.00 -1.27 0.00 0.00 60.65 59.12 1jey h LYS 35 Cb 0.23 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1jey h LYS 35 CO 0.00 0.59 -0.83 0.87 -2.27 0.00 0.00 179.45 177.82 1jey h LYS 36 N 0.49 0.61 -0.43 1.90 1.57 -0.96 -2.38 116.57 117.37 1jey h LYS 36 Ca 0.10 -0.54 -0.06 0.00 -1.87 0.00 0.00 60.65 58.28 1jey h LYS 36 Cb 0.40 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1jey h LYS 36 CO 0.02 1.16 0.04 0.28 -0.57 0.00 0.00 179.45 180.38 1jey h VAL 37 N 0.40 1.25 -0.56 0.50 2.07 -1.17 -0.45 116.25 118.28 1jey h VAL 37 Ca -0.06 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 1jey h VAL 37 Cb 1.44 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1jey h VAL 37 CO 0.16 0.33 -0.03 0.40 0.02 0.00 0.00 177.57 178.44 1jey h ILE 38 N 0.58 1.26 -0.53 4.57 2.04 -1.32 -1.54 117.51 122.58 1jey h ILE 38 Ca 0.13 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1jey h ILE 38 Cb 0.43 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1jey h ILE 38 CO 0.01 0.42 0.12 0.74 0.00 0.00 0.00 178.15 179.44 1jey h THR 39 N 0.91 1.24 -0.14 -0.27 2.02 -1.29 0.39 112.91 115.79 1jey h THR 39 Ca 0.16 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1jey h THR 39 Cb 0.58 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 1jey h THR 39 CO 0.03 0.32 -0.13 -0.03 0.37 0.00 0.00 175.52 176.08 1jey h MET 40 N 0.74 -0.15 0.04 6.66 1.85 -0.71 0.21 114.93 123.57 1jey h MET 40 Ca 0.16 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.26 1jey h MET 40 Cb 0.35 0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.41 1jey h MET 40 CO 0.00 -0.10 -0.02 0.35 -0.40 0.00 0.00 176.91 176.75 1jey h PHE 41 N -0.15 -0.05 -0.56 1.39 3.57 -1.02 -2.73 116.94 117.39 1jey h PHE 41 Ca 0.09 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1jey h PHE 41 Cb 0.29 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1jey h PHE 41 CO -0.25 0.03 0.05 0.28 -2.23 0.00 0.00 178.31 176.20 1jey h VAL 42 N -0.12 1.25 0.19 1.41 2.07 -0.64 -2.32 116.25 118.09 1jey h VAL 42 Ca -0.01 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1jey h VAL 42 Cb 0.11 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1jey h VAL 42 CO 0.01 0.36 -0.24 1.56 0.02 0.00 0.00 177.57 179.29 1jey h GLN 43 N 0.86 -0.46 -0.80 1.57 4.20 -0.55 0.66 115.11 120.59 1jey h GLN 43 Ca 0.17 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.98 1jey h GLN 43 Cb 0.43 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 1jey h GLN 43 CO 0.01 -0.31 0.47 -0.09 -0.67 0.00 0.00 178.83 178.25 1jey h ARG 44 N -0.48 0.82 -0.27 1.46 2.43 -1.36 -0.02 114.38 116.97 1jey h ARG 44 Ca 0.01 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1jey h ARG 44 Cb 0.46 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1jey h ARG 44 CO -0.08 0.54 -0.09 1.96 -1.51 0.00 0.00 179.97 180.79 1jey h GLN 45 N 0.84 0.43 0.06 0.20 1.08 -0.93 -1.98 115.11 114.80 1jey h GLN 45 Ca 0.36 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1jey h GLN 45 Cb 0.23 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1jey h GLN 45 CO -0.20 0.53 -0.03 0.28 -0.95 0.00 0.00 178.83 178.46 1jey h VAL 46 N 0.40 1.15 0.00 -0.54 2.07 0.23 -3.19 116.25 116.38 1jey h VAL 46 Ca 0.08 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1jey h VAL 46 Cb 0.41 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1jey h VAL 46 CO 0.02 0.35 0.00 -0.26 0.02 0.00 0.00 177.57 177.70 1jey h PHE 47 N -0.90 0.00 -0.01 1.57 -1.00 -1.08 -2.34 116.94 113.19 1jey h PHE 47 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1jey h PHE 47 Cb 0.63 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.19 1jey h PHE 47 CO 0.15 0.00 -0.51 0.00 -1.61 0.00 0.00 178.31 176.34 1jey n ALA 48 N -1.80 3.62 -3.75 2.45 0.00 -0.75 -4.90 120.51 115.39 1jey n ALA 48 Ca 0.03 -0.48 -0.26 0.00 0.00 0.00 0.00 53.44 52.73 1jey n ALA 48 Cb 0.28 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.76 1jey n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jey n GLU 49 N -0.90 -2.98 -1.25 0.00 1.02 -0.88 -5.00 120.64 110.65 1jey n GLU 49 Ca 0.08 0.51 -0.20 0.00 -0.02 0.00 0.00 57.16 57.53 1jey n GLU 49 Cb 0.37 -4.63 0.14 0.00 -0.02 0.00 0.00 31.44 27.29 1jey n GLU 49 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jey n ASN 50 N -2.91 -0.01 -0.44 1.62 3.02 -1.21 -5.00 115.26 110.33 1jey n ASN 50 Ca -0.22 -1.31 0.05 0.00 -0.03 0.00 0.00 54.58 53.07 1jey n ASN 50 Cb 0.65 -0.68 0.07 0.00 -0.61 0.00 0.00 39.78 39.21 1jey n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jey n LYS 51 N -2.93 1.32 -1.82 3.52 5.02 -1.26 -5.01 118.16 116.99 1jey n LYS 51 Ca 0.11 -1.41 -0.39 0.00 -2.02 0.00 0.00 58.31 54.59 1jey n LYS 51 Cb 0.39 -1.20 0.02 0.00 -0.02 0.00 0.00 35.03 34.22 1jey n LYS 51 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jey s ASP 52 N -0.87 5.77 -0.11 4.39 1.01 -1.26 -4.65 116.67 120.95 1jey s ASP 52 Ca 0.14 2.85 -0.05 0.00 0.71 0.00 0.00 52.55 56.21 1jey s ASP 52 Cb 0.09 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1jey s ASP 52 CO 0.12 -1.24 0.08 -1.61 0.21 0.00 0.00 175.17 172.73 1jey s GLU 53 N -2.54 3.29 -0.04 8.23 0.41 0.37 -4.46 118.70 123.95 1jey s GLU 53 Ca 0.63 -0.26 0.02 0.00 -0.41 0.00 0.00 54.97 54.95 1jey s GLU 53 Cb -0.42 -3.03 0.01 0.00 -1.78 0.00 0.00 34.13 28.91 1jey s GLU 53 CO 0.53 0.71 -0.09 0.42 -0.49 0.00 0.00 175.26 176.34 1jey s ILE 54 N -0.87 0.87 0.21 -1.63 1.01 -0.78 -0.33 121.20 119.68 1jey s ILE 54 Ca 0.13 -0.36 0.11 0.00 0.00 0.00 0.00 60.65 60.53 1jey s ILE 54 Cb -0.12 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 1jey s ILE 54 CO 0.03 0.28 -0.18 0.00 0.00 0.00 0.00 174.94 175.07 1jey s ALA 55 N 0.51 2.72 -0.18 9.38 0.00 0.16 -3.43 121.76 130.92 1jey s ALA 55 Ca -0.09 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 1jey s ALA 55 Cb -0.13 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.59 1jey s ALA 55 CO 0.02 0.40 -0.01 -1.17 0.00 0.00 0.00 175.76 175.00 1jey s LEU 56 N -2.92 1.54 -0.13 0.00 2.96 -0.40 -1.10 118.68 118.63 1jey s LEU 56 Ca 0.24 -0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 1jey s LEU 56 Cb -0.08 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1jey s LEU 56 CO 0.13 -0.24 0.04 -0.69 -1.32 0.00 0.00 176.35 174.27 1jey s VAL 57 N 1.70 4.64 -0.02 1.68 1.01 0.07 -0.99 120.40 128.50 1jey s VAL 57 Ca -0.01 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1jey s VAL 57 Cb -0.16 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1jey s VAL 57 CO -0.07 0.55 -0.26 -0.76 0.00 0.00 0.00 175.10 174.56 1jey s LEU 58 N -0.35 2.08 -0.00 3.92 1.43 0.25 0.03 118.68 126.05 1jey s LEU 58 Ca 0.08 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1jey s LEU 58 Cb -0.12 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1jey s LEU 58 CO 0.02 0.32 -0.07 0.72 0.23 0.00 0.00 176.35 177.56 1jey s PHE 59 N -0.63 0.64 0.00 0.29 -0.12 0.29 0.51 117.98 118.96 1jey s PHE 59 Ca 0.10 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 56.85 1jey s PHE 59 Cb -0.10 -0.41 0.00 0.00 -0.63 0.00 0.00 43.02 41.88 1jey s PHE 59 CO -0.01 -0.01 0.00 0.41 -0.05 0.00 0.00 175.22 175.56 1jey n GLY 60 N 2.86 1.18 3.87 1.99 0.00 0.09 -0.71 105.19 114.47 1jey n GLY 60 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1jey n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jey s THR 61 N -2.00 4.37 0.10 2.61 -4.23 -1.10 -2.62 115.64 112.77 1jey s THR 61 Ca 0.00 0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 61.11 1jey s THR 61 Cb 0.00 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 70.04 1jey s THR 61 CO 0.00 -1.01 1.48 0.44 -0.54 0.00 0.00 174.62 175.00 1jey h ASP 62 N -0.44 0.60 -3.17 3.99 3.45 -1.94 -3.41 116.42 115.50 1jey h ASP 62 Ca -0.44 -0.38 -0.09 0.00 0.43 0.00 0.00 57.03 56.55 1jey h ASP 62 Cb 1.21 -0.16 0.02 0.00 -0.56 0.00 0.00 39.33 39.84 1jey h ASP 62 CO 0.62 0.84 0.05 0.61 -1.57 0.00 0.00 179.24 179.79 1jey n GLY 63 N -0.12 -0.04 2.81 2.75 0.00 -1.26 -4.81 105.19 104.51 1jey n GLY 63 Ca -0.03 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 1jey n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jey s THR 64 N -0.89 -0.27 -0.41 2.61 2.01 -1.26 -3.48 115.64 113.94 1jey s THR 64 Ca 0.14 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.39 1jey s THR 64 Cb -0.01 -0.41 0.17 0.00 0.01 0.00 0.00 72.50 72.26 1jey s THR 64 CO 0.10 0.04 0.46 -0.62 -0.69 0.00 0.00 174.62 173.90 1jey s ASP 65 N 2.30 0.41 0.00 3.53 2.15 -1.02 -4.97 116.67 119.06 1jey s ASP 65 Ca 0.04 -1.73 -0.19 0.00 0.43 0.00 0.00 52.55 51.10 1jey s ASP 65 Cb -0.13 0.82 0.04 0.00 -0.30 0.00 0.00 42.92 43.34 1jey s ASP 65 CO -0.08 -0.20 0.41 0.54 -0.17 0.00 0.00 175.17 175.67 1jey s ASN 66 N 1.18 -0.30 0.00 -0.34 2.20 -1.25 -1.85 114.94 114.58 1jey s ASN 66 Ca 0.21 0.15 0.00 0.00 -0.94 0.00 0.00 52.86 52.28 1jey s ASN 66 Cb -0.09 0.39 0.00 0.00 -2.00 0.00 0.00 41.25 39.55 1jey s ASN 66 CO -0.06 -0.56 0.95 -0.81 -2.94 0.00 0.00 177.10 173.68 1jey n PRO 67 N 0.91 0.54 0.00 3.55 -0.04 -1.26 -2.60 135.00 136.10 1jey n PRO 67 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1jey n PRO 67 Cb 0.58 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1jey n PRO 67 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jey n LEU 68 N 1.47 0.00 0.23 1.53 4.77 -1.26 -4.86 117.00 118.88 1jey n LEU 68 Ca 0.00 -0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 1jey n LEU 68 Cb 0.27 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.17 1jey n LEU 68 CO 0.00 0.09 0.97 0.28 -1.33 0.00 0.00 177.39 177.40 1jey h SER 69 N 0.00 0.00 -0.57 -1.43 0.02 -1.71 -3.42 113.55 106.44 1jey h SER 69 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 1jey h SER 69 Cb 0.50 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1jey h SER 69 CO 0.00 0.00 1.49 0.61 -1.14 0.00 0.00 176.83 177.79 1jey n GLY 70 N -0.99 0.05 0.03 -3.77 0.00 -1.26 -1.75 105.19 97.49 1jey n GLY 70 Ca -0.01 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.02 1jey n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jey n GLY 71 N 6.77 1.50 4.01 -0.02 0.00 -1.26 -4.52 105.19 111.67 1jey n GLY 71 Ca 0.51 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 1jey n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jey n ASP 72 N 0.03 -2.60 -4.80 1.61 8.00 -0.72 -4.98 116.55 113.09 1jey n ASP 72 Ca 0.00 -0.93 -0.30 0.00 0.71 0.00 0.00 54.79 54.27 1jey n ASP 72 Cb 0.01 -3.27 -0.05 0.00 -0.02 0.00 0.00 41.12 37.78 1jey n ASP 72 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1jey s GLN 73 N -6.64 2.21 -0.82 -1.24 -0.21 -1.17 -4.79 119.66 107.00 1jey s GLN 73 Ca 0.43 -2.25 -0.09 0.00 0.02 0.00 0.00 55.36 53.46 1jey s GLN 73 Cb -0.23 -1.73 0.01 0.00 1.00 0.00 0.00 33.01 32.06 1jey s GLN 73 CO 0.88 -0.43 0.17 0.66 -2.12 0.00 0.00 175.29 174.46 1jey n TYR 74 N -1.42 -0.76 -2.13 0.91 4.02 -1.26 -4.41 117.16 112.11 1jey n TYR 74 Ca -0.13 0.21 -0.31 0.00 -0.01 0.00 0.00 57.90 57.66 1jey n TYR 74 Cb 0.66 -1.62 -0.01 0.00 -0.02 0.00 0.00 39.34 38.36 1jey n TYR 74 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1jey s GLN 75 N -5.96 3.70 -1.78 -0.72 -1.52 -1.26 -4.05 119.66 108.08 1jey s GLN 75 Ca 0.13 0.75 0.00 0.00 -1.95 0.00 0.00 55.36 54.29 1jey s GLN 75 Cb -0.07 -2.14 0.00 0.00 -0.22 0.00 0.00 33.01 30.58 1jey s GLN 75 CO 0.58 -0.43 0.00 0.09 -0.25 0.00 0.00 175.29 175.28 1jey n ASN 76 N -2.30 -5.85 -4.11 5.90 3.02 -1.23 -4.78 115.26 105.90 1jey n ASN 76 Ca 0.06 -0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.29 1jey n ASN 76 Cb 0.54 -4.87 -0.17 0.00 -0.61 0.00 0.00 39.78 34.67 1jey n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jey s ILE 77 N -3.02 1.79 -0.07 2.41 1.01 -1.26 -0.73 121.20 121.33 1jey s ILE 77 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1jey s ILE 77 Cb 0.00 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1jey s ILE 77 CO 0.00 0.50 -0.17 -0.89 0.00 0.00 0.00 174.94 174.38 1jey s THR 78 N 0.97 1.49 -0.91 2.92 2.01 0.18 -2.43 115.64 119.87 1jey s THR 78 Ca -0.05 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.06 1jey s THR 78 Cb -0.15 -1.31 0.16 0.00 0.01 0.00 0.00 72.50 71.21 1jey s THR 78 CO -0.03 0.43 1.03 -0.69 -0.69 0.00 0.00 174.62 174.67 1jey s VAL 79 N 0.34 5.03 0.31 3.82 1.01 -0.77 0.85 120.40 130.98 1jey s VAL 79 Ca -0.12 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 59.96 1jey s VAL 79 Cb -0.15 -4.69 0.17 0.00 0.00 0.00 0.00 36.38 31.72 1jey s VAL 79 CO 0.04 -1.36 1.87 -0.74 0.00 0.00 0.00 175.10 174.92 1jey h HIS 80 N 8.43 0.74 -3.55 5.22 6.17 -1.38 -3.43 115.15 127.34 1jey h HIS 80 Ca 0.15 -0.05 -0.33 0.00 0.71 0.00 0.00 60.37 60.84 1jey h HIS 80 Cb 1.02 -0.22 -0.33 0.00 2.52 0.00 0.00 27.41 30.40 1jey h HIS 80 CO 1.12 0.62 -0.74 0.50 0.71 0.00 0.00 177.93 180.14 1jey s ARG 81 N -5.22 0.28 0.40 5.26 6.06 -0.90 -4.95 118.95 119.88 1jey s ARG 81 Ca -0.09 0.05 -0.02 0.00 -2.50 0.00 0.00 55.73 53.16 1jey s ARG 81 Cb 0.16 -0.43 -0.04 0.00 0.06 0.00 0.00 34.95 34.70 1jey s ARG 81 CO 0.78 -0.10 0.66 -1.01 -2.50 0.00 0.00 175.30 173.13 1jey s HIS 82 N 0.83 3.53 -0.27 5.12 3.76 -1.26 -1.28 115.29 125.72 1jey s HIS 82 Ca -0.08 0.58 -0.37 0.00 -0.15 0.00 0.00 55.06 55.03 1jey s HIS 82 Cb -0.12 -2.09 -0.13 0.00 1.11 0.00 0.00 32.58 31.35 1jey s HIS 82 CO -0.01 -0.05 1.94 1.28 -0.85 0.00 0.00 174.74 177.04 1jey n LEU 83 N -1.94 2.50 -3.64 0.89 4.77 -1.26 -4.54 117.00 113.78 1jey n LEU 83 Ca -0.02 0.81 -0.01 0.00 -0.03 0.00 0.00 56.01 56.76 1jey n LEU 83 Cb 0.56 -1.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 1jey n LEU 83 CO 0.51 -0.46 1.20 0.00 -1.33 0.00 0.00 177.39 177.31 1jey s MET 84 N 4.67 0.00 0.22 3.23 0.23 -1.22 -4.89 119.30 121.53 1jey s MET 84 Ca 1.02 -0.00 -0.31 0.00 -1.03 0.00 0.00 55.69 55.37 1jey s MET 84 Cb -0.93 0.00 -0.15 0.00 -1.53 0.00 0.00 34.83 32.22 1jey s MET 84 CO 0.57 -0.00 1.04 1.28 -2.03 0.00 0.00 175.02 175.88 1jey n LEU 85 N -0.05 1.34 -4.79 0.18 4.77 -1.26 -1.86 117.00 115.33 1jey n LEU 85 Ca 0.04 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.87 1jey n LEU 85 Cb 0.57 -1.21 0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1jey n LEU 85 CO 0.08 -1.51 0.70 -2.16 -1.33 0.00 0.00 177.39 173.18 1jey s PRO 86 N -0.86 2.46 0.27 3.23 0.04 -1.26 -4.86 135.00 134.02 1jey s PRO 86 Ca 0.67 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 1jey s PRO 86 Cb -0.81 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 31.82 1jey s PRO 86 CO 0.55 -1.45 0.43 -0.40 0.04 0.00 0.00 177.00 176.18 1jey n ASP 87 N -3.38 -1.23 0.28 6.66 5.68 -1.26 -4.90 116.55 118.40 1jey n ASP 87 Ca 0.08 -2.34 0.18 0.00 -0.50 0.00 0.00 54.79 52.21 1jey n ASP 87 Cb 0.54 2.19 0.73 0.00 -1.14 0.00 0.00 41.12 43.43 1jey n ASP 87 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1jey h PHE 88 N 1.75 0.00 0.00 2.11 -1.00 -2.00 -2.46 116.94 115.34 1jey h PHE 88 Ca -0.22 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.42 1jey h PHE 88 Cb 0.90 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.44 1jey h PHE 88 CO 0.00 0.00 -0.68 -0.44 -1.61 0.00 0.00 178.31 175.58 1jey h ASP 89 N 0.00 0.00 0.03 2.17 3.32 -1.99 -1.74 116.42 118.21 1jey h ASP 89 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jey h ASP 89 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1jey h ASP 89 CO 0.00 0.68 -0.02 0.25 -1.72 0.00 0.00 179.24 178.44 1jey h LEU 90 N 0.00 -0.04 -0.66 1.55 5.85 -1.85 -2.09 115.31 118.07 1jey h LEU 90 Ca -0.01 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1jey h LEU 90 Cb 1.27 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 1jey h LEU 90 CO 0.09 0.45 0.35 -0.07 -0.34 0.00 0.00 178.44 178.91 1jey h LEU 91 N -0.53 0.49 -0.55 2.25 3.38 -1.53 -1.17 115.31 117.64 1jey h LEU 91 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1jey h LEU 91 Cb 0.49 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1jey h LEU 91 CO 0.01 0.31 0.30 -0.08 0.09 0.00 0.00 178.44 179.07 1jey h GLU 92 N 0.63 0.76 -0.34 1.13 4.81 -1.31 0.26 114.58 120.53 1jey h GLU 92 Ca 0.30 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1jey h GLU 92 Cb 0.24 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1jey h GLU 92 CO -0.21 0.59 0.22 -0.44 -0.73 0.00 0.00 179.01 178.43 1jey h ASP 93 N 0.73 0.37 -0.80 1.04 3.32 -0.75 1.11 116.42 121.44 1jey h ASP 93 Ca 0.19 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.29 1jey h ASP 93 Cb 0.05 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 1jey h ASP 93 CO -0.03 0.27 0.50 0.40 -1.72 0.00 0.00 179.24 178.66 1jey h ILE 94 N 0.45 1.05 0.12 0.35 1.08 -0.87 0.52 117.51 120.21 1jey h ILE 94 Ca 0.12 -0.32 -0.28 0.00 -0.39 0.00 0.00 64.86 64.00 1jey h ILE 94 Cb -0.04 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 1jey h ILE 94 CO -0.03 0.17 -1.27 -0.08 -0.69 0.00 0.00 178.15 176.25 1jey h GLU 95 N 0.92 0.26 0.00 2.37 4.81 -0.30 -3.44 114.58 119.21 1jey h GLU 95 Ca 0.34 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1jey h GLU 95 Cb 0.13 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1jey h GLU 95 CO -0.16 1.20 -0.75 0.45 -0.73 0.00 0.00 179.01 179.02 1jey n SER 96 N -3.52 1.20 0.16 1.04 2.88 0.38 -4.96 113.62 110.81 1jey n SER 96 Ca -0.09 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.38 1jey n SER 96 Cb 1.02 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.45 1jey n SER 96 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jey h LYS 97 N 0.00 -0.44 -6.08 -1.46 3.64 -1.15 -3.45 116.57 107.64 1jey h LYS 97 Ca 0.00 0.03 -0.71 0.00 -1.27 0.00 0.00 60.65 58.69 1jey h LYS 97 Cb 0.75 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1jey h LYS 97 CO 0.00 -0.29 1.13 -0.89 -2.27 0.00 0.00 179.45 177.13 1jey n ILE 98 N -4.09 0.25 -4.14 2.00 5.41 0.03 -4.97 119.36 113.85 1jey n ILE 98 Ca -0.06 -0.12 -0.24 0.00 1.00 0.00 0.00 62.75 63.33 1jey n ILE 98 Cb 0.18 -1.32 -0.06 0.00 -0.71 0.00 0.00 39.64 37.73 1jey n ILE 98 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1jey s GLN 99 N 4.76 2.74 0.45 0.38 -1.52 -1.26 -4.96 119.66 120.25 1jey s GLN 99 Ca 1.04 -1.05 -0.24 0.00 -1.95 0.00 0.00 55.36 53.16 1jey s GLN 99 Cb -1.03 -2.50 -0.07 0.00 -0.22 0.00 0.00 33.01 29.18 1jey s GLN 99 CO 0.60 0.43 1.23 -1.25 -0.25 0.00 0.00 175.29 176.05 1jey s PRO 100 N -3.42 3.76 0.73 2.91 0.04 -1.26 -5.01 135.00 132.75 1jey s PRO 100 Ca 0.31 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 63.27 1jey s PRO 100 Cb -0.09 -2.52 0.10 0.00 0.04 0.00 0.00 34.50 32.04 1jey s PRO 100 CO 0.23 -0.60 1.02 0.20 0.04 0.00 0.00 177.00 177.89 1jey s GLY 101 N -1.09 1.75 0.00 0.56 0.00 0.36 -4.98 107.32 103.92 1jey s GLY 101 Ca 0.62 -1.34 0.09 0.00 0.00 0.00 0.00 44.72 44.09 1jey s GLY 101 CO 0.41 -0.83 0.64 1.44 0.00 0.00 0.00 173.10 174.76 1jey n SER 102 N -2.94 1.30 -1.03 1.64 7.64 -1.23 -3.27 113.62 115.72 1jey n SER 102 Ca 0.12 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1jey n SER 102 Cb 0.60 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 1jey n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jey n GLN 103 N -0.06 2.45 -3.74 1.43 1.13 -1.08 -4.51 117.38 113.00 1jey n GLN 103 Ca 0.04 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.98 1jey n GLN 103 Cb 0.19 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.41 1jey n GLN 103 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1jey s GLN 104 N -0.03 0.20 0.32 -1.09 -1.52 -1.26 -0.20 119.66 116.08 1jey s GLN 104 Ca 0.00 0.50 0.10 0.00 -1.95 0.00 0.00 55.36 54.00 1jey s GLN 104 Cb 0.00 -0.11 -0.05 0.00 -0.22 0.00 0.00 33.01 32.63 1jey s GLN 104 CO 0.00 -0.15 -0.04 0.00 -0.25 0.00 0.00 175.29 174.85 1jey s ALA 105 N 1.16 3.08 -0.11 6.09 0.00 -1.26 -4.82 121.76 125.90 1jey s ALA 105 Ca -0.08 -1.93 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 1jey s ALA 105 Cb -0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1jey s ALA 105 CO -0.08 0.13 1.41 0.34 0.00 0.00 0.00 175.76 177.57 1jey s ASP 106 N -3.66 6.84 0.27 0.00 -1.08 -1.26 -4.88 116.67 112.90 1jey s ASP 106 Ca 0.33 1.93 0.08 0.00 -0.52 0.00 0.00 52.55 54.37 1jey s ASP 106 Cb -0.01 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.28 1jey s ASP 106 CO 0.18 -0.81 1.63 2.19 0.52 0.00 0.00 175.17 178.89 1jey h PHE 107 N 8.61 0.16 0.00 -5.34 -5.15 -1.93 -1.84 116.94 111.44 1jey h PHE 107 Ca -0.32 -0.06 -0.06 0.00 -0.20 0.00 0.00 57.97 57.33 1jey h PHE 107 Cb 1.14 -0.03 -0.01 0.00 0.22 0.00 0.00 35.95 37.27 1jey h PHE 107 CO 0.82 0.65 -0.27 -0.07 -2.00 0.00 0.00 178.31 177.44 1jey h LEU 108 N 0.10 0.00 -0.26 2.10 3.38 -1.91 -1.39 115.31 117.34 1jey h LEU 108 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1jey h LEU 108 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1jey h LEU 108 CO 0.08 0.27 -0.62 0.44 0.09 0.00 0.00 178.44 178.71 1jey h ASP 109 N 0.00 0.97 -0.74 -0.43 3.32 -1.78 -2.01 116.42 115.76 1jey h ASP 109 Ca -0.00 -0.56 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 1jey h ASP 109 Cb 0.73 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1jey h ASP 109 CO 0.04 1.36 0.45 0.00 -1.72 0.00 0.00 179.24 179.37 1jey h ALA 110 N 0.65 0.94 -0.50 3.45 0.00 -0.85 -1.33 119.26 121.63 1jey h ALA 110 Ca -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jey h ALA 110 Cb 1.23 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1jey h ALA 110 CO 0.13 0.41 0.33 1.25 0.00 0.00 0.00 179.25 181.37 1jey h LEU 111 N 1.01 0.56 -0.91 0.00 5.85 -1.15 -0.01 115.31 120.67 1jey h LEU 111 Ca 0.27 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1jey h LEU 111 Cb -0.04 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1jey h LEU 111 CO -0.05 0.41 0.58 0.40 -0.34 0.00 0.00 178.44 179.43 1jey h ILE 112 N 0.67 1.24 -0.18 4.05 2.04 -0.80 0.33 117.51 124.86 1jey h ILE 112 Ca 0.18 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1jey h ILE 112 Cb -0.07 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 35.93 1jey h ILE 112 CO -0.04 0.24 -0.30 0.58 0.00 0.00 0.00 178.15 178.63 1jey h VAL 113 N 1.24 1.27 -0.39 1.67 2.07 -0.81 -0.59 116.25 120.72 1jey h VAL 113 Ca 0.33 -1.29 -0.12 0.00 0.82 0.00 0.00 66.70 66.44 1jey h VAL 113 Cb -0.10 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1jey h VAL 113 CO -0.07 0.40 -0.22 0.28 0.02 0.00 0.00 177.57 177.98 1jey h SER 114 N 0.30 0.86 -0.13 0.57 0.02 0.37 -2.06 113.55 113.48 1jey h SER 114 Ca 0.04 -0.42 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 1jey h SER 114 Cb 0.68 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1jey h SER 114 CO 0.05 1.09 -0.13 0.24 -1.14 0.00 0.00 176.83 176.94 1jey h MET 115 N 0.64 0.49 -0.37 3.45 2.07 -0.08 -2.75 114.93 118.39 1jey h MET 115 Ca 0.08 -0.14 -0.01 0.00 -2.07 0.00 0.00 59.70 57.55 1jey h MET 115 Cb 0.78 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.44 1jey h MET 115 CO 0.06 0.62 0.18 0.22 1.07 0.00 0.00 176.91 179.06 1jey h ASP 116 N 0.46 0.49 -0.47 1.22 3.58 -0.80 -0.51 116.42 120.38 1jey h ASP 116 Ca 0.08 -0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.47 1jey h ASP 116 Cb 0.50 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.37 1jey h ASP 116 CO 0.03 0.48 0.14 0.58 -2.88 0.00 0.00 179.24 177.59 1jey h VAL 117 N 0.46 0.81 -0.34 2.25 2.07 -1.09 0.32 116.25 120.72 1jey h VAL 117 Ca 0.13 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1jey h VAL 117 Cb 0.12 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1jey h VAL 117 CO -0.02 0.06 -0.14 0.40 0.02 0.00 0.00 177.57 177.89 1jey h ILE 118 N 0.30 1.25 0.00 4.57 2.04 -1.26 -0.86 117.51 123.55 1jey h ILE 118 Ca 0.23 -1.13 -0.23 0.00 1.00 0.00 0.00 64.86 64.73 1jey h ILE 118 Cb 0.26 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1jey h ILE 118 CO -0.26 0.37 -0.94 1.56 0.00 0.00 0.00 178.15 178.88 1jey h GLN 119 N 0.55 0.42 0.00 2.37 4.20 0.02 -2.91 115.11 119.76 1jey h GLN 119 Ca 0.09 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1jey h GLN 119 Cb 0.57 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1jey h GLN 119 CO 0.04 1.11 -1.03 0.72 -0.67 0.00 0.00 178.83 179.00 1jey n HIS 120 N -3.75 0.81 0.08 2.96 8.25 0.10 -4.52 115.22 119.16 1jey n HIS 120 Ca -0.07 0.23 0.05 0.00 -0.26 0.00 0.00 57.72 57.68 1jey n HIS 120 Cb 0.84 -0.85 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 1jey n HIS 120 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1jey n GLU 121 N -2.53 0.97 0.00 -0.41 1.02 -0.33 -4.34 120.64 115.02 1jey n GLU 121 Ca 0.00 -0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1jey n GLU 121 Cb 0.53 -1.19 0.62 0.00 -0.02 0.00 0.00 31.44 31.39 1jey n GLU 121 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jey n THR 122 N -1.73 0.00 -1.64 2.62 -2.24 -1.10 -4.85 114.28 105.34 1jey n THR 122 Ca -0.01 0.00 -0.66 0.00 -2.27 0.00 0.00 64.05 61.11 1jey n THR 122 Cb 0.24 -0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 1jey n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jey n ILE 123 N -0.88 0.01 0.00 2.28 3.06 -1.26 -2.08 119.36 120.48 1jey n ILE 123 Ca 0.16 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.41 1jey n ILE 123 Cb 0.07 -0.52 0.00 0.00 0.54 0.00 0.00 39.64 39.73 1jey n ILE 123 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1jey n GLY 124 N 4.75 1.23 3.68 4.50 0.00 -1.26 -4.94 105.19 113.14 1jey n GLY 124 Ca 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 1jey n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jey n LYS 125 N 0.00 1.66 -3.42 1.61 5.02 -0.89 -4.94 118.16 117.21 1jey n LYS 125 Ca 0.00 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.48 1jey n LYS 125 Cb 0.00 -2.33 -0.09 0.00 -0.02 0.00 0.00 35.03 32.58 1jey n LYS 125 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jey s LYS 126 N -2.37 3.52 -0.11 1.97 2.20 -1.26 -4.96 119.74 118.73 1jey s LYS 126 Ca 0.65 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 1jey s LYS 126 Cb -0.49 -3.82 -0.00 0.00 -1.51 0.00 0.00 37.83 32.01 1jey s LYS 126 CO 0.55 -0.53 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.72 1jey s PHE 127 N 1.98 2.61 0.20 4.03 0.40 -1.26 -4.78 117.98 121.15 1jey s PHE 127 Ca 0.11 -0.98 0.05 0.00 -0.60 0.00 0.00 56.93 55.51 1jey s PHE 127 Cb -0.17 -1.73 0.12 0.00 0.51 0.00 0.00 43.02 41.75 1jey s PHE 127 CO 0.12 -0.38 1.47 1.49 0.70 0.00 0.00 175.22 178.61 1jey h GLU 128 N 6.71 0.14 -3.97 0.44 4.81 -1.66 -3.45 114.58 117.61 1jey h GLU 128 Ca -0.20 -0.13 -0.24 0.00 -0.13 0.00 0.00 59.36 58.65 1jey h GLU 128 Cb 1.23 0.03 -0.26 0.00 0.63 0.00 0.00 28.75 30.39 1jey h GLU 128 CO 0.49 0.83 -0.72 0.15 -0.73 0.00 0.00 179.01 179.02 1jey s LYS 129 N -3.40 0.19 -0.10 1.92 1.02 -1.19 -5.04 119.74 113.15 1jey s LYS 129 Ca -0.02 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.77 1jey s LYS 129 Cb 0.11 -0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.35 1jey s LYS 129 CO 0.80 0.02 -0.19 1.03 -0.92 0.00 0.00 175.35 176.09 1jey s ARG 130 N -0.46 2.51 0.00 1.68 0.52 -1.26 0.10 118.95 122.04 1jey s ARG 130 Ca -0.04 -0.68 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 1jey s ARG 130 Cb -0.03 -2.00 -0.00 0.00 0.52 0.00 0.00 34.95 33.43 1jey s ARG 130 CO -0.00 0.05 0.07 -1.58 0.02 0.00 0.00 175.30 173.86 1jey s HIS 131 N 0.65 0.08 -0.07 -0.53 2.46 0.72 -2.07 115.29 116.54 1jey s HIS 131 Ca -0.13 -0.18 0.02 0.00 0.47 0.00 0.00 55.06 55.23 1jey s HIS 131 Cb -0.16 -0.08 0.02 0.00 -0.13 0.00 0.00 32.58 32.23 1jey s HIS 131 CO 0.03 -0.20 -0.10 0.42 -2.47 0.00 0.00 174.74 172.42 1jey s ILE 132 N -1.10 1.02 -0.18 0.89 1.01 -0.86 -0.81 121.20 121.17 1jey s ILE 132 Ca -0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 1jey s ILE 132 Cb -0.07 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.45 1jey s ILE 132 CO 0.00 0.33 -0.15 -1.61 0.00 0.00 0.00 174.94 173.52 1jey s GLU 133 N 0.84 3.15 -0.14 2.79 2.02 -0.31 -2.15 118.70 124.90 1jey s GLU 133 Ca -0.12 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.07 1jey s GLU 133 Cb -0.15 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 1jey s GLU 133 CO 0.02 -0.12 0.01 0.42 0.02 0.00 0.00 175.26 175.61 1jey s ILE 134 N 1.15 4.39 -0.28 -1.63 1.01 -0.49 0.37 121.20 125.71 1jey s ILE 134 Ca 0.01 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1jey s ILE 134 Cb -0.14 -2.91 0.07 0.00 0.01 0.00 0.00 42.46 39.49 1jey s ILE 134 CO -0.06 0.53 -0.04 -0.36 0.00 0.00 0.00 174.94 175.01 1jey s PHE 135 N -0.16 3.10 0.25 3.97 0.40 -0.17 -0.22 117.98 125.15 1jey s PHE 135 Ca 0.05 -2.33 -0.10 0.00 -0.60 0.00 0.00 56.93 53.95 1jey s PHE 135 Cb -0.12 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.31 1jey s PHE 135 CO 0.02 -0.87 0.43 -0.08 0.70 0.00 0.00 175.22 175.42 1jey s THR 136 N 1.15 0.00 -1.17 0.64 -1.32 -0.83 -0.69 115.64 113.42 1jey s THR 136 Ca -0.02 -1.50 0.11 0.00 -1.21 0.00 0.00 61.69 59.07 1jey s THR 136 Cb -0.19 -2.29 0.22 0.00 -1.51 0.00 0.00 72.50 68.72 1jey s THR 136 CO -0.07 0.00 1.08 -0.90 -2.21 0.00 0.00 174.62 172.52 1jey n ASP 137 N -0.47 2.51 -3.01 8.08 5.68 -1.26 -4.20 116.55 123.88 1jey n ASP 137 Ca -0.01 -1.77 -0.17 0.00 -0.50 0.00 0.00 54.79 52.34 1jey n ASP 137 Cb 0.62 -0.13 -0.01 0.00 -1.14 0.00 0.00 41.12 40.46 1jey n ASP 137 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1jey n LEU 138 N 0.59 -1.17 0.04 -2.12 4.77 -1.26 -4.86 117.00 113.00 1jey n LEU 138 Ca 0.10 -0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 1jey n LEU 138 Cb 0.37 -1.94 -0.03 0.00 -2.33 0.00 0.00 43.42 39.48 1jey n LEU 138 CO 0.08 0.05 0.24 0.77 -1.33 0.00 0.00 177.39 177.20 1jey h SER 139 N -0.53 0.66 -1.51 -1.43 4.64 -1.94 -3.24 113.55 110.21 1jey h SER 139 Ca -0.33 -0.48 -0.43 0.00 -0.47 0.00 0.00 61.79 60.08 1jey h SER 139 Cb 1.23 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1jey h SER 139 CO 0.41 1.26 -0.29 -0.44 -0.87 0.00 0.00 176.83 176.90 1jey s SER 140 N -7.08 5.64 0.68 4.97 0.01 -1.26 -4.59 113.70 112.07 1jey s SER 140 Ca -0.07 -0.42 -0.13 0.00 1.31 0.00 0.00 55.95 56.64 1jey s SER 140 Cb 0.09 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.59 1jey s SER 140 CO 0.87 -0.69 1.08 -0.13 0.41 0.00 0.00 173.24 174.78 1jey s ARG 141 N -4.30 2.78 0.19 12.44 0.52 -1.26 -4.95 118.95 124.37 1jey s ARG 141 Ca 0.53 1.20 -0.23 0.00 -0.52 0.00 0.00 55.73 56.71 1jey s ARG 141 Cb -0.09 -1.96 0.05 0.00 0.52 0.00 0.00 34.95 33.47 1jey s ARG 141 CO 0.32 -1.24 0.72 -0.59 0.02 0.00 0.00 175.30 174.53 1jey s PHE 142 N -2.66 -0.33 0.28 -0.53 -0.12 -1.26 -4.63 117.98 108.73 1jey s PHE 142 Ca 0.63 0.01 -0.10 0.00 -0.05 0.00 0.00 56.93 57.42 1jey s PHE 142 Cb -0.17 0.63 -0.07 0.00 -0.63 0.00 0.00 43.02 42.78 1jey s PHE 142 CO 0.47 -0.98 0.62 0.45 -0.05 0.00 0.00 175.22 175.73 1jey s SER 143 N -2.82 6.61 -0.06 1.98 0.15 -1.26 -4.99 113.70 113.32 1jey s SER 143 Ca 0.07 0.99 0.09 0.00 0.70 0.00 0.00 55.95 57.79 1jey s SER 143 Cb -0.03 -2.26 0.15 0.00 -1.71 0.00 0.00 66.02 62.17 1jey s SER 143 CO -0.03 -0.17 1.09 0.29 1.20 0.00 0.00 173.24 175.63 1jey n LYS 144 N -0.48 2.32 0.25 5.44 5.02 -1.26 -4.70 118.16 124.74 1jey n LYS 144 Ca 0.01 -2.01 0.14 0.00 -2.02 0.00 0.00 58.31 54.43 1jey n LYS 144 Cb 0.53 -1.24 0.49 0.00 -0.02 0.00 0.00 35.03 34.78 1jey n LYS 144 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jey h SER 145 N 0.18 0.00 -0.69 4.39 4.64 -2.05 -3.19 113.55 116.83 1jey h SER 145 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jey h SER 145 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1jey h SER 145 CO 0.01 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1jey n GLN 146 N -3.16 2.80 0.05 4.77 1.13 -1.26 -4.68 117.38 117.03 1jey n GLN 146 Ca 0.01 -2.62 -0.12 0.00 -1.94 0.00 0.00 57.00 52.34 1jey n GLN 146 Cb 0.40 -1.56 -0.05 0.00 0.11 0.00 0.00 30.24 29.15 1jey n GLN 146 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1jey h LEU 147 N 4.06 -0.94 -0.96 1.08 3.38 -1.90 0.18 115.31 120.21 1jey h LEU 147 Ca 0.00 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1jey h LEU 147 Cb 0.99 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1jey h LEU 147 CO 0.01 -0.37 0.11 0.44 0.09 0.00 0.00 178.44 178.72 1jey h ASP 148 N -0.46 0.82 -0.28 -0.43 3.32 -1.87 -1.36 116.42 116.17 1jey h ASP 148 Ca 0.06 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1jey h ASP 148 Cb 0.55 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1jey h ASP 148 CO -0.27 0.82 0.13 0.40 -1.72 0.00 0.00 179.24 178.60 1jey h ILE 149 N 0.83 1.15 -0.08 0.35 2.04 -1.79 -1.18 117.51 118.84 1jey h ILE 149 Ca 0.18 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1jey h ILE 149 Cb 0.34 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1jey h ILE 149 CO 0.00 0.15 0.05 0.40 0.00 0.00 0.00 178.15 178.76 1jey h ILE 150 N 0.31 1.02 -0.64 -0.67 2.04 -0.28 -2.22 117.51 117.07 1jey h ILE 150 Ca 0.09 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 1jey h ILE 150 Cb 0.12 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1jey h ILE 150 CO -0.01 0.02 0.07 0.40 0.00 0.00 0.00 178.15 178.63 1jey h ILE 151 N 0.10 1.26 -0.59 -0.67 2.04 -1.17 -1.96 117.51 116.53 1jey h ILE 151 Ca 0.03 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1jey h ILE 151 Cb -0.01 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1jey h ILE 151 CO -0.01 0.40 0.23 -0.74 0.00 0.00 0.00 178.15 178.03 1jey h HIS 152 N 1.01 0.87 0.03 1.37 2.76 -1.11 -1.91 115.15 118.16 1jey h HIS 152 Ca 0.19 -0.05 -0.21 0.00 -2.20 0.00 0.00 60.37 58.10 1jey h HIS 152 Cb 0.48 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1jey h HIS 152 CO 0.03 0.67 -0.97 0.77 -1.30 0.00 0.00 177.93 177.13 1jey h SER 153 N 0.85 0.16 -0.30 3.26 0.02 -1.22 -1.81 113.55 114.51 1jey h SER 153 Ca 0.20 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1jey h SER 153 Cb 0.18 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1jey h SER 153 CO -0.02 1.04 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.58 1jey h LEU 154 N 0.05 0.57 -0.10 5.07 3.38 -1.11 -1.19 115.31 121.98 1jey h LEU 154 Ca -0.04 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1jey h LEU 154 Cb 1.67 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1jey h LEU 154 CO 0.14 0.79 -0.06 0.11 0.09 0.00 0.00 178.44 179.51 1jey h LYS 155 N 0.34 0.22 -0.26 1.13 1.57 -1.40 0.09 116.57 118.27 1jey h LYS 155 Ca 0.08 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1jey h LYS 155 Cb 0.54 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1jey h LYS 155 CO 0.03 0.59 -0.08 0.87 -0.57 0.00 0.00 179.45 180.29 1jey h LYS 156 N -0.15 0.41 -0.20 3.15 1.79 -1.36 -2.48 116.57 117.73 1jey h LYS 156 Ca 0.02 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1jey h LYS 156 Cb 0.53 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1jey h LYS 156 CO 0.02 0.50 0.00 0.00 -1.08 0.00 0.00 179.45 178.89 1jey n ASP 158 N 0.76 -5.50 -4.24 0.00 2.03 -0.53 -4.95 116.55 104.12 1jey n ASP 158 Ca 0.17 -0.94 -0.33 0.00 0.52 0.00 0.00 54.79 54.21 1jey n ASP 158 Cb 0.44 -3.37 -0.16 0.00 -0.72 0.00 0.00 41.12 37.32 1jey n ASP 158 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jey s ILE 159 N -3.38 2.44 0.46 5.18 1.01 -0.09 -4.29 121.20 122.52 1jey s ILE 159 Ca 0.40 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1jey s ILE 159 Cb -0.14 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1jey s ILE 159 CO 0.86 0.53 0.68 -0.94 0.00 0.00 0.00 174.94 176.07 1jey s SER 160 N 0.71 5.78 0.02 3.58 1.04 -0.88 -4.66 113.70 119.29 1jey s SER 160 Ca -0.08 0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.59 1jey s SER 160 Cb -0.16 -1.46 -0.02 0.00 0.10 0.00 0.00 66.02 64.48 1jey s SER 160 CO 0.01 -0.74 -0.01 -0.22 0.98 0.00 0.00 173.24 173.26 1jey s LEU 161 N -4.57 2.21 -0.04 2.42 2.96 -1.26 -2.02 118.68 118.38 1jey s LEU 161 Ca 0.49 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.76 1jey s LEU 161 Cb -0.10 0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.78 1jey s LEU 161 CO 0.38 -0.35 0.22 -1.10 -1.32 0.00 0.00 176.35 174.18 1jey s GLN 162 N -1.82 0.45 0.09 1.98 -0.21 -0.91 -4.98 119.66 114.27 1jey s GLN 162 Ca -0.13 -0.06 0.10 0.00 0.02 0.00 0.00 55.36 55.30 1jey s GLN 162 Cb -0.07 0.20 -0.04 0.00 1.00 0.00 0.00 33.01 34.10 1jey s GLN 162 CO -0.02 -0.10 -0.26 -0.06 -2.12 0.00 0.00 175.29 172.73 1jey s PHE 163 N -0.78 2.33 -0.11 0.91 0.40 -0.72 -1.39 117.98 118.62 1jey s PHE 163 Ca -0.09 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 55.84 1jey s PHE 163 Cb -0.05 -1.32 0.04 0.00 0.51 0.00 0.00 43.02 42.20 1jey s PHE 163 CO 0.02 0.25 0.00 -0.06 0.70 0.00 0.00 175.22 176.13 1jey s PHE 164 N -0.96 0.85 0.40 0.36 0.40 0.69 -0.97 117.98 118.74 1jey s PHE 164 Ca 0.13 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1jey s PHE 164 Cb -0.10 -0.91 -0.07 0.00 0.51 0.00 0.00 43.02 42.45 1jey s PHE 164 CO 0.05 -0.42 0.02 -0.51 0.70 0.00 0.00 175.22 175.05 1jey s LEU 165 N 1.92 2.70 0.44 -0.37 1.43 0.20 -1.97 118.68 123.03 1jey s LEU 165 Ca 0.03 -1.39 0.28 0.00 -1.03 0.00 0.00 54.13 52.03 1jey s LEU 165 Cb -0.14 -0.78 0.93 0.00 0.03 0.00 0.00 46.19 46.23 1jey s LEU 165 CO -0.06 -0.50 1.80 -0.65 0.23 0.00 0.00 176.35 177.17 1jey h PRO 166 N 1.82 0.00 -6.46 1.29 0.11 -1.85 0.44 132.00 127.35 1jey h PRO 166 Ca -0.43 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.07 1jey h PRO 166 Cb 1.24 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.14 1jey h PRO 166 CO 0.78 0.00 -0.84 -0.59 -0.21 0.00 0.00 178.00 177.14 1jey s PHE 167 N -3.41 2.00 0.81 0.65 -0.12 -1.26 -4.67 117.98 111.98 1jey s PHE 167 Ca 0.05 -0.40 -0.11 0.00 -0.05 0.00 0.00 56.93 56.41 1jey s PHE 167 Cb 0.08 -1.09 0.08 0.00 -0.63 0.00 0.00 43.02 41.46 1jey s PHE 167 CO 0.57 0.26 1.09 -1.12 -0.05 0.00 0.00 175.22 175.96 1jey s SER 168 N -1.96 4.21 -0.02 1.98 0.01 -1.26 -4.23 113.70 112.42 1jey s SER 168 Ca 0.09 1.62 0.18 0.00 1.31 0.00 0.00 55.95 59.16 1jey s SER 168 Cb -0.10 -2.34 -0.25 0.00 0.21 0.00 0.00 66.02 63.54 1jey s SER 168 CO 0.05 -2.19 0.49 -0.11 0.41 0.00 0.00 173.24 171.89 1jey n LEU 169 N -3.61 0.23 -2.79 2.44 7.94 -1.26 -4.89 117.00 115.06 1jey n LEU 169 Ca 0.08 -0.14 -0.10 0.00 -1.11 0.00 0.00 56.01 54.74 1jey n LEU 169 Cb 0.54 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.57 1jey n LEU 169 CO 0.55 0.06 0.27 0.61 -1.11 0.00 0.00 177.39 177.76 1jey n GLY 170 N 1.46 1.22 0.00 -3.96 0.00 -1.26 -5.11 105.19 97.54 1jey n GLY 170 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1jey n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jey n GLY 181 N 0.14 -0.89 3.65 -0.02 0.00 -1.26 -5.17 105.19 101.63 1jey n GLY 181 Ca 0.07 -1.64 -0.57 0.00 0.00 0.00 0.00 46.02 43.88 1jey n GLY 181 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jey n PRO 182 N -0.81 0.84 -3.27 1.61 -0.02 -1.26 -4.90 135.00 127.20 1jey n PRO 182 Ca 0.00 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.40 1jey n PRO 182 Cb 0.00 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1jey n PRO 182 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1jey s PHE 183 N 1.91 3.44 -0.23 6.00 5.36 -1.26 -4.95 117.98 128.25 1jey s PHE 183 Ca 0.93 0.84 0.01 0.00 -0.96 0.00 0.00 56.93 57.75 1jey s PHE 183 Cb -1.11 -2.63 0.06 0.00 -0.34 0.00 0.00 43.02 38.99 1jey s PHE 183 CO 0.60 0.02 -0.08 1.03 -1.46 0.00 0.00 175.22 175.33 1jey s ARG 184 N 1.19 1.86 0.08 10.12 0.52 -1.26 -5.01 118.95 126.44 1jey s ARG 184 Ca 0.25 -1.03 -0.33 0.00 -0.52 0.00 0.00 55.73 54.11 1jey s ARG 184 Cb -0.15 -2.61 -0.12 0.00 0.52 0.00 0.00 34.95 32.59 1jey s ARG 184 CO 0.10 -0.55 1.79 -0.11 0.02 0.00 0.00 175.30 176.55 1jey n LEU 185 N 4.62 3.67 0.00 2.53 7.94 -1.26 -0.84 117.00 133.66 1jey n LEU 185 Ca -0.13 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 1jey n LEU 185 Cb 0.44 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.92 1jey n LEU 185 CO 0.19 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 1jey n GLY 186 N 4.09 0.81 3.37 -3.96 0.00 -1.21 -4.15 105.19 104.13 1jey n GLY 186 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1jey n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jey n GLY 187 N -2.36 -2.04 3.04 -0.02 0.00 -0.02 -3.32 105.19 100.47 1jey n GLY 187 Ca 0.00 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 1jey n GLY 187 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jey s HIS 188 N -3.27 3.63 0.00 1.61 3.76 -1.26 -4.83 115.29 114.92 1jey s HIS 188 Ca 0.67 -2.87 0.00 0.00 -0.15 0.00 0.00 55.06 52.71 1jey s HIS 188 Cb -0.04 -3.01 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1jey s HIS 188 CO 0.49 -0.92 0.00 0.41 -0.85 0.00 0.00 174.74 173.87 1jey n GLY 189 N 4.14 2.64 3.76 -2.22 0.00 -1.26 -3.87 105.19 108.38 1jey n GLY 189 Ca 0.03 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1jey n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jey s PRO 190 N 0.00 2.98 -0.45 1.61 0.04 -1.26 -5.03 135.00 132.89 1jey s PRO 190 Ca 0.00 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.69 1jey s PRO 190 Cb 0.00 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.76 1jey s PRO 190 CO 0.00 -1.14 0.59 -1.54 0.04 0.00 0.00 177.00 174.94 1jey s SER 191 N -2.04 -0.63 -0.41 6.66 1.04 -1.26 -4.95 113.70 112.12 1jey s SER 191 Ca 0.72 -1.61 -0.37 0.00 0.48 0.00 0.00 55.95 55.16 1jey s SER 191 Cb -0.24 1.37 -0.14 0.00 0.10 0.00 0.00 66.02 67.11 1jey s SER 191 CO 0.35 -0.14 2.19 0.49 0.98 0.00 0.00 173.24 177.11 1jey n PHE 192 N 3.58 1.45 -1.68 5.02 3.01 -1.26 -4.81 117.46 122.76 1jey n PHE 192 Ca 0.16 0.42 -0.44 0.00 1.01 0.00 0.00 57.45 58.60 1jey n PHE 192 Cb 0.53 -2.46 -0.02 0.00 -0.01 0.00 0.00 39.48 37.52 1jey n PHE 192 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1jey n PRO 193 N 8.02 2.14 0.00 -1.08 -0.02 -1.26 -4.62 135.00 138.19 1jey n PRO 193 Ca 0.46 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.70 1jey n PRO 193 Cb 0.15 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1jey n PRO 193 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jey n LEU 194 N 2.06 0.00 -0.02 2.45 4.77 -1.26 -0.33 117.00 124.67 1jey n LEU 194 Ca 0.11 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1jey n LEU 194 Cb 0.33 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.29 1jey n LEU 194 CO 0.63 0.00 -0.68 1.17 -1.33 0.00 0.00 177.39 177.18 1jey n LYS 195 N -0.79 0.65 0.11 3.23 4.81 -1.26 -4.10 118.16 120.81 1jey n LYS 195 Ca 0.00 0.08 0.12 0.00 -0.87 0.00 0.00 58.31 57.65 1jey n LYS 195 Cb 0.00 -1.66 0.45 0.00 0.02 0.00 0.00 35.03 33.84 1jey n LYS 195 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jey n GLY 196 N 1.51 -1.46 3.85 3.14 0.00 0.56 -4.77 105.19 108.02 1jey n GLY 196 Ca -0.17 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1jey n GLY 196 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jey s ILE 197 N -3.19 4.62 1.27 -0.61 -4.36 -1.25 -5.06 121.20 112.62 1jey s ILE 197 Ca 0.08 1.01 -0.20 0.00 -0.26 0.00 0.00 60.65 61.28 1jey s ILE 197 Cb 0.11 -3.68 0.31 0.00 1.25 0.00 0.00 42.46 40.45 1jey s ILE 197 CO 0.48 -0.47 1.04 0.42 0.24 0.00 0.00 174.94 176.65 1jey s THR 198 N -2.34 1.51 0.15 8.37 -4.23 -1.26 -4.84 115.64 113.00 1jey s THR 198 Ca 0.56 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1jey s THR 198 Cb -0.10 -2.32 -0.17 0.00 1.34 0.00 0.00 72.50 71.25 1jey s THR 198 CO 0.25 0.00 1.34 -0.33 -0.54 0.00 0.00 174.62 175.35 1jey h GLU 199 N -2.85 0.25 -0.71 3.99 4.39 -1.97 -2.56 114.58 115.13 1jey h GLU 199 Ca -0.46 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 58.91 1jey h GLU 199 Cb 1.31 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.02 1jey h GLU 199 CO 0.34 1.01 0.27 0.37 -1.16 0.00 0.00 179.01 179.84 1jey h GLN 200 N 0.14 1.08 -0.23 2.33 5.75 -1.90 -1.79 115.11 120.48 1jey h GLN 200 Ca -0.06 -0.20 -0.05 0.00 -0.15 0.00 0.00 58.65 58.18 1jey h GLN 200 Cb 1.55 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 1jey h GLN 200 CO 0.14 0.90 -0.10 1.96 -2.65 0.00 0.00 178.83 179.08 1jey h GLN 201 N 1.03 0.38 -0.08 1.69 4.20 -1.57 -0.75 115.11 120.00 1jey h GLN 201 Ca 0.24 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1jey h GLN 201 Cb 0.23 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1jey h GLN 201 CO -0.02 0.48 -0.48 0.87 -0.67 0.00 0.00 178.83 179.02 1jey h LYS 202 N 0.36 0.21 0.09 1.46 1.57 -0.97 -0.17 116.57 119.11 1jey h LYS 202 Ca 0.07 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1jey h LYS 202 Cb 0.39 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1jey h LYS 202 CO 0.02 0.65 -0.04 1.49 -0.57 0.00 0.00 179.45 180.99 1jey h GLU 203 N 0.17 -0.12 -0.97 3.15 4.81 -0.77 -2.47 114.58 118.39 1jey h GLU 203 Ca 0.01 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1jey h GLU 203 Cb 0.91 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.24 1jey h GLU 203 CO 0.07 0.38 0.60 0.78 -0.73 0.00 0.00 179.01 180.12 1jey h GLY 204 N -0.70 1.57 1.23 1.92 0.00 -1.09 -1.82 103.07 104.17 1jey h GLY 204 Ca -0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1jey h GLY 204 CO 0.02 0.16 0.08 -2.00 0.00 0.00 0.00 176.54 174.80 1jey h LEU 205 N 0.97 0.90 -0.80 3.11 5.85 -1.01 -1.65 115.31 122.68 1jey h LEU 205 Ca 0.48 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1jey h LEU 205 Cb 0.45 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1jey h LEU 205 CO -0.26 0.92 0.38 -0.33 -0.34 0.00 0.00 178.44 178.81 1jey h GLU 206 N 0.89 1.16 -0.37 1.25 4.39 -0.85 0.07 114.58 121.12 1jey h GLU 206 Ca 0.18 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1jey h GLU 206 Cb 0.42 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1jey h GLU 206 CO 0.01 0.90 0.04 0.82 -1.16 0.00 0.00 179.01 179.63 1jey h ILE 207 N 1.14 1.25 -0.78 3.13 1.08 -1.20 -0.27 117.51 121.85 1jey h ILE 207 Ca 0.27 -0.90 0.01 0.00 -0.39 0.00 0.00 64.86 63.86 1jey h ILE 207 Cb 0.13 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 1jey h ILE 207 CO -0.03 0.30 0.51 0.58 -0.69 0.00 0.00 178.15 178.82 1jey h VAL 208 N 0.46 1.18 -0.25 1.67 2.07 -1.02 0.49 116.25 120.85 1jey h VAL 208 Ca 0.11 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1jey h VAL 208 Cb 0.39 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1jey h VAL 208 CO 0.01 0.19 0.14 0.11 0.02 0.00 0.00 177.57 178.04 1jey h LYS 209 N 1.04 0.34 -0.26 1.57 1.57 -0.61 -1.44 116.57 118.78 1jey h LYS 209 Ca 0.29 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1jey h LYS 209 Cb -0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1jey h LYS 209 CO -0.08 0.31 0.15 0.52 -0.57 0.00 0.00 179.45 179.77 1jey h MET 210 N 0.29 0.29 0.11 3.15 2.86 -0.53 -1.01 114.93 120.10 1jey h MET 210 Ca 0.09 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1jey h MET 210 Cb 0.06 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1jey h MET 210 CO -0.01 0.19 -0.21 0.28 1.06 0.00 0.00 176.91 178.22 1jey h VAL 211 N 0.30 0.53 -0.26 -2.22 2.07 -0.78 -1.22 116.25 114.66 1jey h VAL 211 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1jey h VAL 211 Cb 0.00 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1jey h VAL 211 CO -0.05 0.00 0.17 0.24 0.02 0.00 0.00 177.57 177.95 1jey h MET 212 N -0.40 0.35 -0.04 1.57 2.07 -1.07 -1.25 114.93 116.16 1jey h MET 212 Ca 0.03 -0.02 -0.18 0.00 -2.07 0.00 0.00 59.70 57.45 1jey h MET 212 Cb 0.42 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 1jey h MET 212 CO -0.12 0.24 -0.75 0.82 1.07 0.00 0.00 176.91 178.17 1jey h ILE 213 N 0.36 1.42 -0.36 -1.22 2.04 -0.81 0.12 117.51 119.06 1jey h ILE 213 Ca 0.10 -2.27 -0.14 0.00 1.00 0.00 0.00 64.86 63.55 1jey h ILE 213 Cb -0.03 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1jey h ILE 213 CO -0.02 0.67 -0.32 0.28 0.00 0.00 0.00 178.15 178.77 1jey h SER 214 N 0.19 0.90 0.07 1.72 0.02 -0.45 0.25 113.55 116.25 1jey h SER 214 Ca -0.03 -0.46 -0.28 0.00 -0.84 0.00 0.00 61.79 60.18 1jey h SER 214 Cb 1.33 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 63.64 1jey h SER 214 CO 0.12 1.17 -1.14 -0.07 -1.14 0.00 0.00 176.83 175.77 1jey h LEU 215 N 0.65 0.89 0.00 5.07 3.38 -1.20 -3.40 115.31 120.70 1jey h LEU 215 Ca 0.06 -0.77 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 1jey h LEU 215 Cb 0.90 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1jey h LEU 215 CO 0.08 1.57 -1.43 -0.62 0.09 0.00 0.00 178.44 178.13 1jey n GLU 216 N -3.82 2.59 0.00 1.13 -0.58 0.43 -5.07 120.64 115.31 1jey n GLU 216 Ca -0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1jey n GLU 216 Cb 0.93 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.63 1jey n GLU 216 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jey n GLY 217 N 2.53 -1.88 0.33 0.62 0.00 0.86 -4.43 105.19 103.22 1jey n GLY 217 Ca -0.09 -1.95 0.23 0.00 0.00 0.00 0.00 46.02 44.21 1jey n GLY 217 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jey h GLU 218 N 0.00 0.06 0.00 1.61 4.81 -1.91 0.75 114.58 119.90 1jey h GLU 218 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jey h GLU 218 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1jey h GLU 218 CO 0.00 0.04 0.00 -0.25 -0.73 0.00 0.00 179.01 178.07 1jey n ASP 219 N -5.31 0.00 -0.11 1.04 8.00 -1.26 -3.52 116.55 115.39 1jey n ASP 219 Ca 0.31 0.15 0.11 0.00 0.71 0.00 0.00 54.79 56.06 1jey n ASP 219 Cb 1.02 -0.35 0.47 0.00 -0.02 0.00 0.00 41.12 42.23 1jey n ASP 219 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1jey h GLY 220 N 3.53 0.67 1.26 0.44 0.00 0.37 0.76 103.07 110.09 1jey h GLY 220 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.21 1jey h GLY 220 CO 0.00 0.12 0.31 1.41 0.00 0.00 0.00 176.54 178.38 1jey h LEU 221 N 0.48 0.23 -0.85 3.11 3.38 -1.75 0.57 115.31 120.49 1jey h LEU 221 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1jey h LEU 221 Cb 0.49 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1jey h LEU 221 CO -0.09 0.15 0.00 0.47 0.09 0.00 0.00 178.44 179.06 1jey n ASP 222 N -4.46 0.56 -1.54 -0.43 10.43 0.26 -2.46 116.55 118.91 1jey n ASP 222 Ca 0.07 0.68 0.07 0.00 2.57 0.00 0.00 54.79 58.17 1jey n ASP 222 Cb 0.33 -0.78 0.32 0.00 1.84 0.00 0.00 41.12 42.84 1jey n ASP 222 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1jey n GLU 223 N -2.16 3.81 -3.92 -1.24 -0.58 0.19 -4.79 120.64 111.94 1jey n GLU 223 Ca 0.01 -2.53 -0.35 0.00 -0.42 0.00 0.00 57.16 53.87 1jey n GLU 223 Cb 0.15 -1.98 -0.14 0.00 -0.57 0.00 0.00 31.44 28.90 1jey n GLU 223 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1jey s ILE 224 N -2.15 3.21 0.26 -3.67 1.01 -1.03 -1.75 121.20 117.08 1jey s ILE 224 Ca 0.44 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.54 1jey s ILE 224 Cb 0.31 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1jey s ILE 224 CO 0.17 0.38 -0.09 -0.31 0.00 0.00 0.00 174.94 175.08 1jey s TYR 225 N 1.44 1.91 0.18 3.97 1.51 -0.15 -4.67 117.35 121.54 1jey s TYR 225 Ca 0.05 -0.63 -0.07 0.00 -1.01 0.00 0.00 57.07 55.40 1jey s TYR 225 Cb -0.15 -1.01 -0.06 0.00 -0.11 0.00 0.00 41.96 40.63 1jey s TYR 225 CO -0.04 0.34 0.46 -1.54 -1.11 0.00 0.00 175.55 173.66 1jey s SER 226 N -3.41 6.56 0.23 2.29 1.04 -1.25 0.63 113.70 119.79 1jey s SER 226 Ca 0.27 0.76 -0.07 0.00 0.48 0.00 0.00 55.95 57.40 1jey s SER 226 Cb 0.02 -2.16 0.28 0.00 0.10 0.00 0.00 66.02 64.26 1jey s SER 226 CO 0.11 0.00 1.87 -0.26 0.98 0.00 0.00 173.24 175.93 1jey h PHE 227 N 2.75 1.01 -0.48 5.02 0.05 -0.37 -2.01 116.94 122.90 1jey h PHE 227 Ca -0.47 0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.42 1jey h PHE 227 Cb 1.17 -0.33 -0.06 0.00 2.00 0.00 0.00 35.95 38.73 1jey h PHE 227 CO 0.62 0.55 0.17 1.03 -0.18 0.00 0.00 178.31 180.50 1jey h SER 228 N 1.03 0.17 1.14 2.17 0.87 -1.88 -1.85 113.55 115.18 1jey h SER 228 Ca 0.35 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.88 1jey h SER 228 Cb 0.07 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1jey h SER 228 CO -0.14 0.13 -0.41 1.05 -0.53 0.00 0.00 176.83 176.93 1jey h GLU 229 N 0.34 0.00 -0.29 2.24 4.11 -1.83 -3.13 114.58 116.03 1jey h GLU 229 Ca 0.23 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.62 1jey h GLU 229 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1jey h GLU 229 CO -0.24 0.41 -0.00 0.77 0.07 0.00 0.00 179.01 180.02 1jey h SER 230 N 0.00 0.40 0.86 3.06 0.02 -0.60 -1.93 113.55 115.37 1jey h SER 230 Ca -0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1jey h SER 230 Cb 1.09 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1jey h SER 230 CO 0.05 0.47 0.00 -0.07 -1.14 0.00 0.00 176.83 176.14 1jey h LEU 231 N 0.42 0.00 -3.51 5.07 3.38 -1.42 -2.96 115.31 116.29 1jey h LEU 231 Ca 0.09 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.72 1jey h LEU 231 Cb 0.28 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.81 1jey h LEU 231 CO 0.01 0.00 -0.32 -2.11 0.09 0.00 0.00 178.44 176.11 1jey n ARG 232 N -2.89 2.53 -4.06 1.13 1.85 -0.73 -4.95 116.66 109.54 1jey n ARG 232 Ca 0.01 -3.58 -0.12 0.00 -1.00 0.00 0.00 57.85 53.16 1jey n ARG 232 Cb 0.27 -2.00 -0.06 0.00 -1.05 0.00 0.00 32.46 29.61 1jey n ARG 232 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1jey s LYS 233 N -3.44 1.62 -0.11 2.89 1.02 -1.12 -4.11 119.74 116.49 1jey s LYS 233 Ca 0.48 -1.50 0.15 0.00 0.02 0.00 0.00 55.97 55.12 1jey s LYS 233 Cb 0.41 0.43 0.49 0.00 -0.52 0.00 0.00 37.83 38.64 1jey s LYS 233 CO -0.00 -0.65 1.41 1.28 -0.92 0.00 0.00 175.35 176.46 1jey n LEU 234 N -0.43 3.76 -0.06 3.17 4.77 -1.26 -4.70 117.00 122.25 1jey n LEU 234 Ca -0.00 -2.59 0.14 0.00 -0.03 0.00 0.00 56.01 53.54 1jey n LEU 234 Cb 0.62 -0.45 0.55 0.00 -2.33 0.00 0.00 43.42 41.82 1jey n LEU 234 CO 0.27 0.71 1.19 0.00 -1.33 0.00 0.00 177.39 178.23 1jey h VAL 236 N 0.30 0.00 0.00 0.00 -1.51 -1.88 -2.22 116.25 110.94 1jey h VAL 236 Ca 0.28 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1jey h VAL 236 Cb 0.69 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1jey h VAL 236 CO -0.06 0.00 -1.00 0.49 -1.23 0.00 0.00 177.57 175.77 1jey n PHE 237 N -2.99 0.00 -0.33 5.19 3.01 -0.36 -4.66 117.46 117.32 1jey n PHE 237 Ca -0.00 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.65 1jey n PHE 237 Cb 0.23 -0.03 0.38 0.00 -0.01 0.00 0.00 39.48 40.05 1jey n PHE 237 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1jey h LYS 238 N 0.00 0.05 -0.33 -1.08 3.64 -0.86 0.33 116.57 118.33 1jey h LYS 238 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jey h LYS 238 Cb 0.50 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1jey h LYS 238 CO 0.00 0.03 0.00 1.63 -2.27 0.00 0.00 179.45 178.84 1jey n LYS 239 N -5.36 1.91 -0.33 1.90 4.76 -1.26 -3.91 118.16 115.87 1jey n LYS 239 Ca 0.28 -1.40 0.02 0.00 -2.87 0.00 0.00 58.31 54.34 1jey n LYS 239 Cb 0.91 -1.36 0.03 0.00 -1.84 0.00 0.00 35.03 32.78 1jey n LYS 239 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1jey n ILE 240 N 0.63 0.45 -2.35 -0.18 -5.35 0.07 -4.95 119.36 107.68 1jey n ILE 240 Ca 0.15 -0.54 -0.41 0.00 -0.27 0.00 0.00 62.75 61.69 1jey n ILE 240 Cb 0.36 0.39 -0.04 0.00 -1.74 0.00 0.00 39.64 38.61 1jey n ILE 240 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1jey s GLU 241 N -0.67 4.54 -0.14 6.28 0.41 -0.97 -4.96 118.70 123.19 1jey s GLU 241 Ca 0.07 1.94 -0.29 0.00 -0.41 0.00 0.00 54.97 56.28 1jey s GLU 241 Cb 0.06 -3.16 -0.05 0.00 -1.78 0.00 0.00 34.13 29.20 1jey s GLU 241 CO 0.01 0.05 1.75 0.50 -0.49 0.00 0.00 175.26 177.08 1jey s ARG 242 N -1.37 3.87 0.35 1.61 3.52 -1.26 -4.95 118.95 120.71 1jey s ARG 242 Ca 0.47 1.99 -0.28 0.00 -0.13 0.00 0.00 55.73 57.78 1jey s ARG 242 Cb -0.34 -4.08 -0.10 0.00 -1.56 0.00 0.00 34.95 28.87 1jey s ARG 242 CO 0.44 -1.23 1.26 -1.01 -0.81 0.00 0.00 175.30 173.96 1jey s HIS 243 N 5.17 3.05 0.62 5.12 3.76 -1.26 -4.98 115.29 126.77 1jey s HIS 243 Ca 0.78 1.46 -0.17 0.00 -0.15 0.00 0.00 55.06 56.99 1jey s HIS 243 Cb -0.31 -3.60 -0.02 0.00 1.11 0.00 0.00 32.58 29.77 1jey s HIS 243 CO 0.32 -1.70 1.13 0.45 -0.85 0.00 0.00 174.74 174.09 1jey s SER 244 N -0.67 5.25 0.21 1.40 0.15 -1.26 -5.02 113.70 113.75 1jey s SER 244 Ca 0.51 2.11 -0.27 0.00 0.70 0.00 0.00 55.95 59.01 1jey s SER 244 Cb -0.37 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.29 1jey s SER 244 CO 0.49 -1.54 0.85 -0.63 1.20 0.00 0.00 173.24 173.60 1jey s ILE 245 N -2.07 4.26 0.33 6.45 -1.09 -1.26 -5.06 121.20 122.75 1jey s ILE 245 Ca 0.70 1.84 -0.05 0.00 -2.23 0.00 0.00 60.65 60.91 1jey s ILE 245 Cb -0.23 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 1jey s ILE 245 CO 0.36 0.48 0.59 -1.38 -1.23 0.00 0.00 174.94 173.76 1jey s HIS 246 N -1.21 3.49 -0.25 3.97 -3.43 -1.26 -4.66 115.29 111.94 1jey s HIS 246 Ca 0.39 0.65 0.02 0.00 -0.80 0.00 0.00 55.06 55.32 1jey s HIS 246 Cb -0.24 -2.12 0.06 0.00 -1.43 0.00 0.00 32.58 28.85 1jey s HIS 246 CO 0.28 0.10 -0.10 -0.46 -2.00 0.00 0.00 174.74 172.55 1jey s TRP 247 N -2.20 3.03 0.29 0.38 -0.00 0.17 -4.91 118.94 115.69 1jey s TRP 247 Ca 0.44 -2.14 -0.28 0.00 -0.00 0.00 0.00 56.10 54.13 1jey s TRP 247 Cb -0.10 -1.85 -0.09 0.00 -0.00 0.00 0.00 33.47 31.43 1jey s TRP 247 CO 0.32 -0.85 0.95 -2.14 -0.00 0.00 0.00 176.95 175.24 1jey s PRO 248 N 1.18 4.68 -0.05 5.86 0.02 -1.26 -0.69 135.00 144.75 1jey s PRO 248 Ca -0.07 1.43 -0.30 0.00 0.02 0.00 0.00 61.00 62.08 1jey s PRO 248 Cb -0.19 -3.01 0.11 0.00 0.02 0.00 0.00 34.50 31.43 1jey s PRO 248 CO -0.06 0.36 1.34 0.00 -0.33 0.00 0.00 177.00 178.31 1jey s ARG 250 N -2.08 2.70 -0.29 0.00 3.00 -1.26 -0.95 118.95 120.06 1jey s ARG 250 Ca 0.25 -0.82 -0.23 0.00 0.00 0.00 0.00 55.73 54.94 1jey s ARG 250 Cb 0.02 -2.12 -0.00 0.00 0.00 0.00 0.00 34.95 32.85 1jey s ARG 250 CO -0.03 0.22 0.75 -1.17 0.00 0.00 0.00 175.30 175.07 1jey s LEU 251 N 0.23 4.09 -0.09 2.53 0.20 0.12 -3.90 118.68 121.87 1jey s LEU 251 Ca -0.14 0.71 -0.01 0.00 0.69 0.00 0.00 54.13 55.38 1jey s LEU 251 Cb -0.16 -3.03 -0.03 0.00 -0.43 0.00 0.00 46.19 42.53 1jey s LEU 251 CO 0.07 -0.54 -0.02 0.42 -0.29 0.00 0.00 176.35 175.99 1jey s THR 252 N 2.83 4.14 -0.33 3.68 -4.23 -0.84 -1.28 115.64 119.60 1jey s THR 252 Ca 0.31 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1jey s THR 252 Cb -0.15 -2.74 0.10 0.00 1.34 0.00 0.00 72.50 71.06 1jey s THR 252 CO 0.11 0.60 0.08 -0.63 -0.54 0.00 0.00 174.62 174.23 1jey s ILE 253 N -0.77 1.62 0.00 2.99 1.01 -0.59 -0.96 121.20 124.49 1jey s ILE 253 Ca 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.84 1jey s ILE 253 Cb -0.11 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1jey s ILE 253 CO 0.02 -0.64 0.00 0.61 0.00 0.00 0.00 174.94 174.93 1jey n GLY 254 N 4.50 -0.22 0.00 6.18 0.00 -1.26 -3.49 105.19 110.90 1jey n GLY 254 Ca 0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1jey n GLY 254 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jey n SER 255 N 1.23 0.92 -0.20 1.61 3.41 -1.26 -4.69 113.62 114.63 1jey n SER 255 Ca 0.00 -1.17 0.04 0.00 -0.26 0.00 0.00 58.87 57.48 1jey n SER 255 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jey n SER 255 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jey n ASN 256 N -0.09 1.15 -4.03 4.04 3.02 -1.26 -4.92 115.26 113.17 1jey n ASN 256 Ca 0.00 -1.08 -0.31 0.00 -0.03 0.00 0.00 54.58 53.16 1jey n ASN 256 Cb 0.12 0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 39.58 1jey n ASN 256 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jey s LEU 257 N -1.48 2.79 0.09 3.41 2.96 -1.23 -5.07 118.68 120.15 1jey s LEU 257 Ca 0.07 -1.13 0.10 0.00 -0.22 0.00 0.00 54.13 52.96 1jey s LEU 257 Cb 0.07 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 1jey s LEU 257 CO 0.21 -0.17 -0.27 -0.55 -1.32 0.00 0.00 176.35 174.26 1jey s SER 258 N 1.27 3.26 -0.09 3.68 0.15 -1.26 -1.54 113.70 119.16 1jey s SER 258 Ca -0.05 -0.68 -0.03 0.00 0.70 0.00 0.00 55.95 55.89 1jey s SER 258 Cb -0.18 -0.25 0.04 0.00 -1.71 0.00 0.00 66.02 63.92 1jey s SER 258 CO -0.07 0.21 0.07 -0.63 1.20 0.00 0.00 173.24 174.03 1jey s ILE 259 N -0.95 -0.10 0.07 6.45 1.01 -0.41 -4.94 121.20 122.33 1jey s ILE 259 Ca 0.13 0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.68 1jey s ILE 259 Cb -0.10 -0.31 -0.07 0.00 0.01 0.00 0.00 42.46 41.99 1jey s ILE 259 CO 0.04 0.01 1.47 -0.13 0.00 0.00 0.00 174.94 176.33 1jey s ARG 260 N 2.16 4.27 0.21 2.79 0.52 -1.26 0.14 118.95 127.77 1jey s ARG 260 Ca 0.04 2.13 0.02 0.00 -0.52 0.00 0.00 55.73 57.40 1jey s ARG 260 Cb -0.14 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.85 1jey s ARG 260 CO -0.05 -0.57 0.02 0.96 0.02 0.00 0.00 175.30 175.68 1jey s ILE 261 N 1.93 0.72 -0.04 1.52 -4.36 -0.13 -1.74 121.20 119.11 1jey s ILE 261 Ca 0.67 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 1jey s ILE 261 Cb -0.36 -2.30 0.03 0.00 1.25 0.00 0.00 42.46 41.08 1jey s ILE 261 CO 0.30 -0.32 0.00 0.00 0.24 0.00 0.00 174.94 175.15 1jey s ALA 262 N -3.63 0.39 0.01 2.27 0.00 0.72 -2.49 121.76 119.03 1jey s ALA 262 Ca 0.28 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1jey s ALA 262 Cb 0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1jey s ALA 262 CO 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 175.76 175.66 1jey s ALA 263 N 1.23 3.21 0.07 0.00 0.00 0.13 -1.11 121.76 125.29 1jey s ALA 263 Ca -0.07 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 50.95 1jey s ALA 263 Cb -0.13 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1jey s ALA 263 CO -0.02 0.64 -0.15 0.71 0.00 0.00 0.00 175.76 176.95 1jey s TYR 264 N -1.09 1.26 -0.34 0.00 1.51 -0.18 -0.66 117.35 117.85 1jey s TYR 264 Ca 0.20 -0.45 -0.24 0.00 -1.01 0.00 0.00 57.07 55.57 1jey s TYR 264 Cb -0.11 -0.71 0.01 0.00 -0.11 0.00 0.00 41.96 41.03 1jey s TYR 264 CO 0.11 0.07 0.80 0.15 -1.11 0.00 0.00 175.55 175.57 1jey s LYS 265 N -1.70 3.86 -0.06 -0.62 1.02 -1.26 -0.79 119.74 120.18 1jey s LYS 265 Ca -0.01 0.47 -0.24 0.00 0.02 0.00 0.00 55.97 56.21 1jey s LYS 265 Cb -0.10 -3.77 -0.27 0.00 -0.52 0.00 0.00 37.83 33.17 1jey s LYS 265 CO 0.02 -0.79 0.93 0.77 -0.92 0.00 0.00 175.35 175.36 1jey h SER 266 N 8.31 0.32 -3.47 2.83 0.02 -1.57 -3.45 113.55 116.54 1jey h SER 266 Ca -0.24 -0.90 -0.65 0.00 -0.84 0.00 0.00 61.79 59.16 1jey h SER 266 Cb 1.09 -0.10 -0.33 0.00 0.14 0.00 0.00 62.40 63.20 1jey h SER 266 CO 0.91 1.19 -0.87 -0.63 -1.14 0.00 0.00 176.83 176.28 1jey s ILE 267 N -2.65 1.91 -0.30 3.27 -1.09 -1.23 -4.98 121.20 116.13 1jey s ILE 267 Ca -0.15 -0.94 -0.08 0.00 -2.23 0.00 0.00 60.65 57.25 1jey s ILE 267 Cb 0.00 -1.65 0.16 0.00 -1.58 0.00 0.00 42.46 39.39 1jey s ILE 267 CO 0.78 0.53 0.69 -0.22 -1.23 0.00 0.00 174.94 175.48 1jey s LEU 268 N 0.30 -1.14 0.05 2.97 2.96 -1.26 -2.33 118.68 120.23 1jey s LEU 268 Ca -0.15 1.21 -0.35 0.00 -0.22 0.00 0.00 54.13 54.62 1jey s LEU 268 Cb -0.17 2.16 -0.14 0.00 0.50 0.00 0.00 46.19 48.54 1jey s LEU 268 CO 0.07 -0.22 1.64 1.67 -1.32 0.00 0.00 176.35 178.19 1jey n GLN 269 N 5.40 1.95 -2.71 1.98 7.27 -1.26 -4.93 117.38 125.08 1jey n GLN 269 Ca -0.08 0.71 -0.41 0.00 0.07 0.00 0.00 57.00 57.29 1jey n GLN 269 Cb 0.50 -2.47 -0.05 0.00 2.41 0.00 0.00 30.24 30.63 1jey n GLN 269 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1jey s GLU 270 N 1.88 4.71 0.23 3.69 2.56 -1.26 -5.05 118.70 125.47 1jey s GLU 270 Ca 0.85 1.49 0.06 0.00 0.00 0.00 0.00 54.97 57.37 1jey s GLU 270 Cb -0.75 -3.35 -0.05 0.00 2.00 0.00 0.00 34.13 31.98 1jey s GLU 270 CO 0.45 0.25 -0.08 1.03 -0.56 0.00 0.00 175.26 176.35 1jey s ARG 271 N -0.25 1.38 0.35 4.30 0.52 -1.26 -5.12 118.95 118.87 1jey s ARG 271 Ca 0.46 -1.66 -0.28 0.00 -0.52 0.00 0.00 55.73 53.74 1jey s ARG 271 Cb -0.24 -0.97 -0.10 0.00 0.52 0.00 0.00 34.95 34.16 1jey s ARG 271 CO 0.31 0.06 1.24 0.08 0.02 0.00 0.00 175.30 177.01 1jey s VAL 272 N -3.12 2.92 -0.17 3.52 1.01 -1.26 -4.95 120.40 118.35 1jey s VAL 272 Ca 0.25 0.88 -0.08 0.00 0.00 0.00 0.00 61.98 63.03 1jey s VAL 272 Cb 0.03 -3.54 -0.23 0.00 0.00 0.00 0.00 36.38 32.64 1jey s VAL 272 CO 0.08 0.17 0.20 0.29 0.00 0.00 0.00 175.10 175.84 1jey n LYS 273 N 0.62 0.70 -2.54 2.72 4.01 -1.26 -4.91 118.16 117.49 1jey n LYS 273 Ca 0.01 0.29 -0.41 0.00 -0.51 0.00 0.00 58.31 57.69 1jey n LYS 273 Cb 0.43 -1.67 -0.04 0.00 -0.51 0.00 0.00 35.03 33.25 1jey n LYS 273 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1jey s LYS 274 N -2.52 4.56 0.19 1.97 2.47 -1.26 -5.04 119.74 120.11 1jey s LYS 274 Ca -0.27 1.66 0.04 0.00 -1.56 0.00 0.00 55.97 55.84 1jey s LYS 274 Cb 0.07 -3.33 -0.03 0.00 -1.46 0.00 0.00 37.83 33.08 1jey s LYS 274 CO 0.70 -0.01 0.29 0.95 0.16 0.00 0.00 175.35 177.43 1jey s THR 275 N 0.31 5.15 -0.15 3.43 -4.23 -1.26 -5.08 115.64 113.81 1jey s THR 275 Ca 0.52 -0.89 -0.19 0.00 -1.18 0.00 0.00 61.69 59.95 1jey s THR 275 Cb -0.28 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.81 1jey s THR 275 CO 0.32 -0.20 0.53 0.26 -0.54 0.00 0.00 174.62 174.99 1jey s TRP 276 N -1.86 3.46 -0.15 3.99 0.52 -1.26 -5.05 118.94 118.59 1jey s TRP 276 Ca 0.34 0.89 -0.14 0.00 0.02 0.00 0.00 56.10 57.20 1jey s TRP 276 Cb -0.10 -2.64 -0.05 0.00 -1.15 0.00 0.00 33.47 29.53 1jey s TRP 276 CO 0.28 0.03 0.33 0.99 0.02 0.00 0.00 176.95 178.60 1jey s THR 277 N 1.12 5.28 -0.06 2.01 2.01 -1.26 -5.05 115.64 119.70 1jey s THR 277 Ca 0.27 0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.60 1jey s THR 277 Cb -0.16 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1jey s THR 277 CO 0.11 0.39 1.06 -0.69 -0.69 0.00 0.00 174.62 174.80 1jey s VAL 278 N 0.40 4.63 0.18 3.82 1.01 -1.26 -5.03 120.40 124.16 1jey s VAL 278 Ca 0.18 1.90 0.02 0.00 0.00 0.00 0.00 61.98 64.08 1jey s VAL 278 Cb -0.13 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1jey s VAL 278 CO 0.05 0.05 0.01 0.68 0.00 0.00 0.00 175.10 175.89 1jey s VAL 279 N 1.76 0.69 0.16 2.92 -7.23 -1.26 -4.68 120.40 112.77 1jey s VAL 279 Ca 0.52 -1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 58.39 1jey s VAL 279 Cb -0.21 -2.18 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 1jey s VAL 279 CO 0.22 -0.42 1.41 -0.62 -0.31 0.00 0.00 175.10 175.38 1jey s ASP 280 N -3.20 6.78 0.27 4.85 -1.08 -0.93 -4.87 116.67 118.49 1jey s ASP 280 Ca 0.26 2.44 0.19 0.00 -0.52 0.00 0.00 52.55 54.91 1jey s ASP 280 Cb 0.06 -2.60 1.00 0.00 -1.46 0.00 0.00 42.92 39.92 1jey s ASP 280 CO 0.05 -0.66 1.57 0.00 0.52 0.00 0.00 175.17 176.65 1jey n ALA 281 N 3.38 1.06 -0.08 3.66 0.00 -1.26 0.51 120.51 127.79 1jey n ALA 281 Ca 0.10 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 1jey n ALA 281 Cb 0.41 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 1jey n ALA 281 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jey n LYS 282 N -2.14 0.44 0.15 0.00 5.02 -1.26 -4.60 118.16 115.76 1jey n LYS 282 Ca -0.01 0.18 0.13 0.00 -2.02 0.00 0.00 58.31 56.59 1jey n LYS 282 Cb 0.04 -1.26 0.30 0.00 -0.02 0.00 0.00 35.03 34.08 1jey n LYS 282 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1jey h THR 283 N -0.80 0.00 -2.30 -0.18 1.35 -1.97 -3.46 112.91 105.55 1jey h THR 283 Ca -0.23 -0.69 -0.34 0.00 -0.55 0.00 0.00 66.41 64.61 1jey h THR 283 Cb 1.08 1.66 -0.08 0.00 -1.73 0.00 0.00 68.15 69.08 1jey h THR 283 CO -0.14 0.00 -0.37 0.18 -0.25 0.00 0.00 175.52 174.94 1jey n LEU 284 N -2.59 -1.38 -4.71 3.87 4.77 0.18 -4.95 117.00 112.20 1jey n LEU 284 Ca 0.05 0.25 -0.26 0.00 -0.03 0.00 0.00 56.01 56.02 1jey n LEU 284 Cb 0.47 -2.47 -0.07 0.00 -2.33 0.00 0.00 43.42 39.02 1jey n LEU 284 CO 0.32 -0.53 -0.29 -0.54 -1.33 0.00 0.00 177.39 175.02 1jey s LYS 285 N -4.22 2.56 0.02 3.23 -0.14 -1.26 -4.76 119.74 115.17 1jey s LYS 285 Ca 0.00 -1.06 -0.12 0.00 -1.36 0.00 0.00 55.97 53.43 1jey s LYS 285 Cb 0.00 -2.43 -0.33 0.00 -1.68 0.00 0.00 37.83 33.39 1jey s LYS 285 CO 0.00 0.45 0.95 -0.22 -0.76 0.00 0.00 175.35 175.77 1jey h LYS 286 N 2.51 0.45 -0.14 1.68 3.64 -1.92 -2.47 116.57 120.31 1jey h LYS 286 Ca -0.47 -0.77 0.04 0.00 -1.27 0.00 0.00 60.65 58.18 1jey h LYS 286 Cb 1.21 0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1jey h LYS 286 CO 0.60 1.36 0.15 0.93 -2.27 0.00 0.00 179.45 180.21 1jey h GLU 287 N 0.12 0.00 0.00 1.90 3.07 -1.97 -1.47 114.58 116.23 1jey h GLU 287 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1jey h GLU 287 Cb 2.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.03 1jey h GLU 287 CO 0.24 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.60 1jey n ASP 288 N -3.91 0.00 -4.46 1.42 9.92 -1.25 -4.71 116.55 113.56 1jey n ASP 288 Ca 0.01 0.40 -0.32 0.00 -0.53 0.00 0.00 54.79 54.34 1jey n ASP 288 Cb 0.26 -0.45 -0.13 0.00 -0.64 0.00 0.00 41.12 40.16 1jey n ASP 288 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1jey s ILE 289 N -2.90 2.93 -0.15 0.53 -1.09 -0.56 -4.92 121.20 115.05 1jey s ILE 289 Ca 0.09 -0.84 -0.13 0.00 -2.23 0.00 0.00 60.65 57.54 1jey s ILE 289 Cb 0.09 -2.16 0.04 0.00 -1.58 0.00 0.00 42.46 38.86 1jey s ILE 289 CO 0.25 0.54 0.40 -1.58 -1.23 0.00 0.00 174.94 173.33 1jey s GLN 290 N -0.86 0.45 -0.15 2.79 0.74 -1.26 -5.03 119.66 116.34 1jey s GLN 290 Ca 0.12 0.61 -0.02 0.00 0.05 0.00 0.00 55.36 56.11 1jey s GLN 290 Cb -0.11 0.17 -0.02 0.00 1.10 0.00 0.00 33.01 34.15 1jey s GLN 290 CO 0.01 -0.08 -0.07 0.15 -0.55 0.00 0.00 175.29 174.75 1jey s LYS 291 N 0.47 3.56 -0.23 1.67 1.02 -1.26 -5.09 119.74 119.88 1jey s LYS 291 Ca -0.02 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.40 1jey s LYS 291 Cb -0.04 -2.80 0.05 0.00 -0.52 0.00 0.00 37.83 34.52 1jey s LYS 291 CO -0.02 0.23 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.33 1jey s GLU 292 N 0.36 2.08 -0.38 1.68 2.02 -1.26 -5.09 118.70 118.10 1jey s GLU 292 Ca -0.07 -1.10 -0.18 0.00 0.02 0.00 0.00 54.97 53.65 1jey s GLU 292 Cb -0.15 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.41 1jey s GLU 292 CO 0.04 -0.52 0.49 -0.08 0.02 0.00 0.00 175.26 175.21 1jey s THR 293 N 1.26 5.03 0.29 3.63 -1.32 -1.26 -5.07 115.64 118.21 1jey s THR 293 Ca -0.05 0.06 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1jey s THR 293 Cb -0.18 -4.00 -0.02 0.00 -1.51 0.00 0.00 72.50 66.78 1jey s THR 293 CO -0.07 -0.32 0.38 -0.69 -2.21 0.00 0.00 174.62 171.72 1jey s VAL 294 N 2.33 4.45 -0.02 5.08 1.01 -1.26 -5.12 120.40 126.87 1jey s VAL 294 Ca 0.16 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.13 1jey s VAL 294 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1jey s VAL 294 CO 0.14 -0.24 -0.21 -0.31 0.00 0.00 0.00 175.10 174.48 1jey s TYR 295 N -2.12 1.92 0.11 5.22 1.51 -1.26 -5.06 117.35 117.67 1jey s TYR 295 Ca 0.40 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1jey s TYR 295 Cb -0.09 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1jey s TYR 295 CO 0.29 -0.04 0.10 0.00 -1.11 0.00 0.00 175.55 174.80 1jey s LEU 297 N -2.96 3.46 0.33 0.00 1.43 0.26 -4.86 118.68 116.34 1jey s LEU 297 Ca 0.15 1.14 0.12 0.00 -1.03 0.00 0.00 54.13 54.51 1jey s LEU 297 Cb 0.06 -3.30 0.99 0.00 0.03 0.00 0.00 46.19 43.97 1jey s LEU 297 CO -0.04 -1.87 1.70 -1.13 0.23 0.00 0.00 176.35 175.23 1jey h ASN 298 N 13.53 0.60 -3.29 2.29 -1.24 -1.94 -3.40 115.58 122.13 1jey h ASN 298 Ca -0.32 0.16 -0.42 0.00 0.71 0.00 0.00 56.30 56.44 1jey h ASN 298 Cb 1.17 0.08 0.20 0.00 0.73 0.00 0.00 38.32 40.51 1jey h ASN 298 CO 1.07 -0.02 0.01 -0.62 -1.29 0.00 0.00 177.43 176.58 1jey s ASP 299 N -5.05 0.45 1.16 1.15 -1.08 -1.26 -4.95 116.67 107.09 1jey s ASP 299 Ca -0.10 1.11 -0.17 0.00 -0.52 0.00 0.00 52.55 52.86 1jey s ASP 299 Cb 0.29 -1.67 0.19 0.00 -1.46 0.00 0.00 42.92 40.26 1jey s ASP 299 CO 0.79 -4.47 0.35 0.47 0.52 0.00 0.00 175.17 172.83 1jey n ASP 300 N -5.06 -2.59 -3.02 -0.34 9.92 -1.26 -4.20 116.55 110.00 1jey n ASP 300 Ca 0.08 -0.28 -0.09 0.00 -0.53 0.00 0.00 54.79 53.97 1jey n ASP 300 Cb 0.57 -0.98 0.04 0.00 -0.64 0.00 0.00 41.12 40.11 1jey n ASP 300 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1jey n ASP 301 N -2.76 -6.54 -4.40 -2.24 8.00 -1.26 -4.73 116.55 102.61 1jey n ASP 301 Ca 0.03 -0.45 -0.10 0.00 0.71 0.00 0.00 54.79 54.99 1jey n ASP 301 Cb 0.56 -4.79 -0.08 0.00 -0.02 0.00 0.00 41.12 36.79 1jey n ASP 301 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1jey n GLU 302 N -2.60 0.07 -3.42 -1.24 2.13 -1.26 -4.73 120.64 109.59 1jey n GLU 302 Ca -0.04 -1.17 -0.37 0.00 0.66 0.00 0.00 57.16 56.24 1jey n GLU 302 Cb 0.57 -3.04 -0.07 0.00 0.27 0.00 0.00 31.44 29.17 1jey n GLU 302 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1jey s THR 303 N 12.11 5.25 0.94 6.31 2.01 -1.26 -4.82 115.64 136.17 1jey s THR 303 Ca 0.58 0.75 -0.12 0.00 0.31 0.00 0.00 61.69 63.21 1jey s THR 303 Cb -0.04 -3.72 0.16 0.00 0.01 0.00 0.00 72.50 68.90 1jey s THR 303 CO 0.13 0.35 1.09 -0.70 -0.69 0.00 0.00 174.62 174.80 1jey s GLU 304 N 0.61 0.89 -0.02 4.92 2.12 -1.26 -0.57 118.70 125.38 1jey s GLU 304 Ca 0.21 0.76 -0.05 0.00 0.36 0.00 0.00 54.97 56.25 1jey s GLU 304 Cb -0.14 -1.77 0.00 0.00 0.26 0.00 0.00 34.13 32.48 1jey s GLU 304 CO 0.07 -2.48 0.11 0.08 -0.54 0.00 0.00 175.26 172.50 1jey s VAL 305 N -2.91 0.04 0.21 3.70 1.01 0.14 -4.81 120.40 117.79 1jey s VAL 305 Ca 0.64 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1jey s VAL 305 Cb -0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 36.38 35.84 1jey s VAL 305 CO 0.58 -0.18 0.68 -0.76 0.00 0.00 0.00 175.10 175.41 1jey s LEU 306 N -0.59 4.31 0.62 3.92 1.43 -1.26 -4.33 118.68 122.79 1jey s LEU 306 Ca -0.07 1.31 0.25 0.00 -1.03 0.00 0.00 54.13 54.59 1jey s LEU 306 Cb -0.04 -3.55 1.24 0.00 0.03 0.00 0.00 46.19 43.88 1jey s LEU 306 CO 0.00 0.03 1.69 0.50 0.23 0.00 0.00 176.35 178.80 1jey h LYS 307 N 3.34 0.00 -0.66 1.70 3.64 -1.98 0.27 116.57 122.88 1jey h LYS 307 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1jey h LYS 307 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1jey h LYS 307 CO 0.65 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.22 1jey n GLU 308 N -3.24 1.55 0.00 1.90 1.02 -1.26 -3.49 120.64 117.13 1jey n GLU 308 Ca 0.07 -0.52 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 1jey n GLU 308 Cb 0.77 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1jey n GLU 308 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jey n ASP 309 N 0.03 0.37 -4.52 1.62 8.00 0.94 -5.07 116.55 117.92 1jey n ASP 309 Ca 0.05 -1.16 -0.34 0.00 0.71 0.00 0.00 54.79 54.05 1jey n ASP 309 Cb 0.31 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.29 1jey n ASP 309 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jey s ILE 310 N -0.16 3.78 0.40 0.53 1.01 -1.23 -4.99 121.20 120.55 1jey s ILE 310 Ca 0.00 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.31 1jey s ILE 310 Cb 0.00 -2.62 -0.08 0.00 0.01 0.00 0.00 42.46 39.78 1jey s ILE 310 CO 0.00 0.53 -0.01 0.27 0.00 0.00 0.00 174.94 175.73 1jey s ILE 311 N -0.04 2.04 0.17 2.92 -4.36 -1.26 -5.06 121.20 115.60 1jey s ILE 311 Ca 0.01 -2.04 -0.10 0.00 -0.26 0.00 0.00 60.65 58.26 1jey s ILE 311 Cb -0.13 -2.93 -0.07 0.00 1.25 0.00 0.00 42.46 40.58 1jey s ILE 311 CO 0.03 -0.04 0.50 -1.58 0.24 0.00 0.00 174.94 174.09 1jey s GLN 312 N -3.69 3.82 0.30 0.37 0.74 -1.26 -5.04 119.66 114.89 1jey s GLN 312 Ca 0.35 0.26 -0.16 0.00 0.05 0.00 0.00 55.36 55.86 1jey s GLN 312 Cb 0.09 -2.82 0.02 0.00 1.10 0.00 0.00 33.01 31.40 1jey s GLN 312 CO 0.18 0.43 0.64 0.20 -0.55 0.00 0.00 175.29 176.19 1jey s GLY 313 N -2.08 0.32 0.06 2.59 0.00 -1.26 -1.38 107.32 105.57 1jey s GLY 313 Ca 0.41 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 44.46 1jey s GLY 313 CO 0.20 -0.37 -0.02 -1.36 0.00 0.00 0.00 173.10 171.55 1jey s PHE 314 N -3.56 0.60 -0.09 1.90 0.40 -0.30 -4.85 117.98 112.09 1jey s PHE 314 Ca 0.17 -1.07 -0.05 0.00 -0.60 0.00 0.00 56.93 55.37 1jey s PHE 314 Cb -0.04 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 1jey s PHE 314 CO 0.10 -0.37 0.14 1.03 0.70 0.00 0.00 175.22 176.81 1jey s ARG 315 N -3.93 3.39 -0.42 0.44 0.52 -1.26 0.28 118.95 117.97 1jey s ARG 315 Ca 0.10 -0.21 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 1jey s ARG 315 Cb 0.08 -3.13 0.13 0.00 0.52 0.00 0.00 34.95 32.55 1jey s ARG 315 CO -0.08 0.75 0.23 -0.47 0.02 0.00 0.00 175.30 175.74 1jey s TYR 316 N -1.09 1.78 0.00 -0.53 5.04 -0.29 -4.95 117.35 117.31 1jey s TYR 316 Ca 0.18 -2.28 0.00 0.00 -2.44 0.00 0.00 57.07 52.53 1jey s TYR 316 Cb -0.12 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.45 1jey s TYR 316 CO 0.08 -0.79 0.00 0.41 -1.34 0.00 0.00 175.55 173.90 1jey n GLY 317 N 3.66 3.63 0.05 8.97 0.00 -1.26 -0.80 105.19 119.44 1jey n GLY 317 Ca 0.09 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1jey n GLY 317 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jey n SER 318 N 7.80 0.53 -4.82 1.61 3.41 -1.26 -4.88 113.62 116.02 1jey n SER 318 Ca 0.00 0.24 -0.33 0.00 -0.26 0.00 0.00 58.87 58.51 1jey n SER 318 Cb 0.00 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.68 1jey n SER 318 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1jey s ASP 319 N -3.77 6.98 -0.16 4.04 -0.00 0.02 -5.05 116.67 118.72 1jey s ASP 319 Ca 0.10 1.68 0.01 0.00 -0.00 0.00 0.00 52.55 54.34 1jey s ASP 319 Cb 0.15 -2.53 0.01 0.00 -0.00 0.00 0.00 42.92 40.55 1jey s ASP 319 CO 0.64 -0.31 -0.18 -0.63 -0.00 0.00 0.00 175.17 174.69 1jey s ILE 320 N -2.10 2.32 -0.29 0.77 1.01 -1.26 -1.14 121.20 120.51 1jey s ILE 320 Ca 0.60 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1jey s ILE 320 Cb -0.10 -1.97 0.08 0.00 0.01 0.00 0.00 42.46 40.48 1jey s ILE 320 CO 0.15 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.88 1jey s VAL 321 N 1.03 2.10 0.20 2.92 1.01 0.14 -4.95 120.40 122.84 1jey s VAL 321 Ca -0.02 -1.84 -0.32 0.00 0.00 0.00 0.00 61.98 59.81 1jey s VAL 321 Cb -0.15 -2.35 -0.11 0.00 0.00 0.00 0.00 36.38 33.77 1jey s VAL 321 CO -0.05 -0.26 1.65 -2.16 0.00 0.00 0.00 175.10 174.27 1jey s PRO 322 N 1.08 4.16 -0.27 2.72 0.04 -1.26 -1.15 135.00 140.33 1jey s PRO 322 Ca -0.01 2.50 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 1jey s PRO 322 Cb -0.19 -3.11 0.14 0.00 0.04 0.00 0.00 34.50 31.38 1jey s PRO 322 CO -0.07 -0.68 0.36 0.12 0.04 0.00 0.00 177.00 176.78 1jey s PHE 323 N 1.08 -0.79 0.85 0.56 5.99 -0.48 -4.92 117.98 120.27 1jey s PHE 323 Ca 0.72 0.38 -0.11 0.00 0.00 0.00 0.00 56.93 57.92 1jey s PHE 323 Cb -0.47 -0.17 0.11 0.00 0.00 0.00 0.00 43.02 42.48 1jey s PHE 323 CO 0.33 -0.86 1.10 -1.54 -0.00 0.00 0.00 175.22 174.24 1jey s SER 324 N 2.49 3.75 0.50 6.13 1.04 -1.26 -4.14 113.70 122.20 1jey s SER 324 Ca 0.10 1.75 0.28 0.00 0.48 0.00 0.00 55.95 58.57 1jey s SER 324 Cb -0.14 -2.40 1.18 0.00 0.10 0.00 0.00 66.02 64.77 1jey s SER 324 CO -0.25 -2.50 1.93 0.11 0.98 0.00 0.00 173.24 173.50 1jey h LYS 325 N -1.45 0.00 -0.02 4.02 1.57 -1.98 -1.34 116.57 117.37 1jey h LYS 325 Ca -0.46 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1jey h LYS 325 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1jey h LYS 325 CO 0.51 0.12 -0.05 0.28 -0.57 0.00 0.00 179.45 179.75 1jey h VAL 326 N 0.00 1.46 -0.58 0.50 2.07 -1.99 -1.69 116.25 116.01 1jey h VAL 326 Ca -0.00 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 1jey h VAL 326 Cb 0.59 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1jey h VAL 326 CO 0.02 0.38 0.03 0.44 0.02 0.00 0.00 177.57 178.46 1jey h ASP 327 N -0.50 0.98 0.19 0.57 3.32 -1.90 -2.58 116.42 116.51 1jey h ASP 327 Ca -0.00 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 1jey h ASP 327 Cb 0.64 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1jey h ASP 327 CO 0.01 1.03 -0.17 -0.08 -1.72 0.00 0.00 179.24 178.31 1jey h GLU 328 N 0.90 0.00 -0.14 3.56 4.81 -1.30 -1.96 114.58 120.45 1jey h GLU 328 Ca 0.17 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1jey h GLU 328 Cb 0.51 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1jey h GLU 328 CO 0.02 0.17 -0.30 1.49 -0.73 0.00 0.00 179.01 179.66 1jey h GLU 329 N 0.00 0.27 0.02 1.92 4.57 -0.89 -1.70 114.58 118.76 1jey h GLU 329 Ca -0.00 -0.10 -0.34 0.00 -1.18 0.00 0.00 59.36 57.74 1jey h GLU 329 Cb 0.32 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 1jey h GLU 329 CO 0.02 0.55 -2.06 1.04 -1.18 0.00 0.00 179.01 177.39 1jey n GLN 330 N -4.11 0.67 0.11 1.92 6.02 -0.91 -4.15 117.38 116.94 1jey n GLN 330 Ca -0.01 0.18 0.12 0.00 -0.01 0.00 0.00 57.00 57.28 1jey n GLN 330 Cb 0.41 -1.66 0.24 0.00 1.02 0.00 0.00 30.24 30.24 1jey n GLN 330 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1jey h MET 331 N 0.01 0.00 -6.54 -1.09 2.86 -1.45 -3.47 114.93 105.26 1jey h MET 331 Ca -0.42 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 56.62 1jey h MET 331 Cb 2.08 0.00 0.11 0.00 0.06 0.00 0.00 31.60 33.85 1jey h MET 331 CO 0.05 0.00 0.23 1.17 1.06 0.00 0.00 176.91 179.41 1jey n LYS 332 N -2.42 1.54 -1.80 1.72 4.81 -0.64 -4.89 118.16 116.48 1jey n LYS 332 Ca 0.04 0.54 -0.42 0.00 -0.87 0.00 0.00 58.31 57.60 1jey n LYS 332 Cb 0.47 -1.97 -0.02 0.00 0.02 0.00 0.00 35.03 33.53 1jey n LYS 332 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1jey s TYR 333 N -1.03 2.86 -0.03 5.64 5.04 -1.26 -4.99 117.35 123.58 1jey s TYR 333 Ca 0.58 0.63 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1jey s TYR 333 Cb -0.67 -4.06 -0.00 0.00 0.35 0.00 0.00 41.96 37.58 1jey s TYR 333 CO 0.60 -3.76 -0.12 0.15 -1.34 0.00 0.00 175.55 171.09 1jey s LYS 334 N 0.30 1.17 0.33 4.97 1.02 -1.26 -5.15 119.74 121.11 1jey s LYS 334 Ca 0.68 -0.41 0.07 0.00 0.02 0.00 0.00 55.97 56.33 1jey s LYS 334 Cb -0.48 -1.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 1jey s LYS 334 CO 0.40 0.18 0.29 -1.54 -0.92 0.00 0.00 175.35 173.76 1jey s SER 335 N 0.04 5.33 0.24 2.83 1.04 -1.26 -5.02 113.70 116.90 1jey s SER 335 Ca -0.01 -0.46 -0.06 0.00 0.48 0.00 0.00 55.95 55.90 1jey s SER 335 Cb -0.08 -1.03 0.24 0.00 0.10 0.00 0.00 66.02 65.24 1jey s SER 335 CO 0.01 -0.32 1.83 -0.33 0.98 0.00 0.00 173.24 175.41 1jey h GLU 336 N 1.27 1.16 0.00 4.02 3.07 -1.98 -3.48 114.58 118.65 1jey h GLU 336 Ca -0.45 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.23 1jey h GLU 336 Cb 1.25 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1jey h GLU 336 CO 0.59 0.90 0.00 0.41 -1.40 0.00 0.00 179.01 179.51 1jey n GLY 337 N -1.02 0.74 3.36 -3.84 0.00 -1.26 -4.82 105.19 98.35 1jey n GLY 337 Ca 0.08 -1.86 -0.45 0.00 0.00 0.00 0.00 46.02 43.79 1jey n GLY 337 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jey n LYS 338 N 0.00 0.03 0.00 1.61 4.81 -1.26 -4.65 118.16 118.71 1jey n LYS 338 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1jey n LYS 338 Cb 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1jey n LYS 338 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jey n PHE 340 N -0.07 -3.20 -4.07 0.00 7.35 -1.23 -2.44 117.46 113.81 1jey n PHE 340 Ca 0.00 -1.80 -0.35 0.00 -0.76 0.00 0.00 57.45 54.54 1jey n PHE 340 Cb 0.00 1.25 -0.09 0.00 0.35 0.00 0.00 39.48 40.98 1jey n PHE 340 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1jey s SER 341 N 0.25 5.60 0.15 -2.13 0.01 -0.58 -1.99 113.70 115.01 1jey s SER 341 Ca 0.31 0.12 -0.30 0.00 1.31 0.00 0.00 55.95 57.39 1jey s SER 341 Cb 0.05 -1.89 -0.07 0.00 0.21 0.00 0.00 66.02 64.31 1jey s SER 341 CO -0.11 0.23 1.11 -0.69 0.41 0.00 0.00 173.24 174.19 1jey s VAL 342 N 0.05 3.92 -0.18 3.43 1.01 -0.14 -0.39 120.40 128.10 1jey s VAL 342 Ca 0.05 1.60 0.16 0.00 0.00 0.00 0.00 61.98 63.79 1jey s VAL 342 Cb -0.12 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.01 1jey s VAL 342 CO 0.01 0.24 0.07 0.18 0.00 0.00 0.00 175.10 175.60 1jey n LEU 343 N 2.68 0.00 0.00 3.92 4.77 0.18 -4.67 117.00 123.88 1jey n LEU 343 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1jey n LEU 343 Cb 0.46 0.45 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1jey n LEU 343 CO 0.54 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1jey n GLY 344 N 1.85 -1.84 3.18 -0.72 0.00 -1.17 -5.02 105.19 101.47 1jey n GLY 344 Ca -0.30 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 1jey n GLY 344 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jey s PHE 345 N -2.14 1.33 0.23 1.61 0.40 -1.26 -1.06 117.98 117.09 1jey s PHE 345 Ca 0.00 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1jey s PHE 345 Cb 0.00 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.74 1jey s PHE 345 CO 0.00 0.07 0.29 0.00 0.70 0.00 0.00 175.22 176.27 1jey s LYS 347 N -4.03 4.14 0.47 0.00 1.02 -1.26 -0.42 119.74 119.66 1jey s LYS 347 Ca 0.32 2.43 0.17 0.00 0.02 0.00 0.00 55.97 58.91 1jey s LYS 347 Cb 0.04 -2.96 1.12 0.00 -0.52 0.00 0.00 37.83 35.51 1jey s LYS 347 CO 0.12 -0.45 2.04 0.66 -0.92 0.00 0.00 175.35 176.79 1jey h SER 348 N 3.04 0.00 -0.03 2.83 4.64 -1.76 -1.88 113.55 120.38 1jey h SER 348 Ca -0.50 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1jey h SER 348 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1jey h SER 348 CO 0.64 0.14 0.03 0.77 -0.87 0.00 0.00 176.83 177.54 1jey h SER 349 N 0.00 0.00 0.08 4.97 4.64 -1.89 -0.14 113.55 121.21 1jey h SER 349 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jey h SER 349 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1jey h SER 349 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1jey n GLN 350 N -4.10 0.83 -3.99 4.77 6.02 -0.71 -4.45 117.38 115.75 1jey n GLN 350 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.66 1jey n GLN 350 Cb 0.12 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.73 1jey n GLN 350 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jey s VAL 351 N -2.09 2.04 -0.07 5.09 1.01 -0.06 -5.07 120.40 121.24 1jey s VAL 351 Ca 0.41 -1.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.26 1jey s VAL 351 Cb 0.20 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1jey s VAL 351 CO 0.35 -0.44 0.36 -1.10 0.00 0.00 0.00 175.10 174.27 1jey s GLN 352 N 1.06 4.01 0.54 2.72 -0.21 -1.26 -4.98 119.66 121.54 1jey s GLN 352 Ca 0.05 0.27 0.25 0.00 0.02 0.00 0.00 55.36 55.96 1jey s GLN 352 Cb -0.19 -3.30 1.42 0.00 1.00 0.00 0.00 33.01 31.94 1jey s GLN 352 CO -0.09 0.50 2.00 0.07 -2.12 0.00 0.00 175.29 175.66 1jey h ARG 353 N 5.55 0.00 0.00 2.91 0.11 -1.98 -0.37 114.38 120.61 1jey h ARG 353 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1jey h ARG 353 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1jey h ARG 353 CO 0.67 0.00 0.00 2.89 0.10 0.00 0.00 179.97 183.63 1jey n ARG 354 N -4.29 0.07 -0.14 0.08 1.85 -1.26 -0.98 116.66 112.00 1jey n ARG 354 Ca 0.08 0.52 0.12 0.00 -1.00 0.00 0.00 57.85 57.57 1jey n ARG 354 Cb 0.57 -1.71 0.18 0.00 -1.05 0.00 0.00 32.46 30.45 1jey n ARG 354 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1jey n PHE 355 N -1.86 0.36 -1.76 2.89 3.01 -0.15 -4.97 117.46 114.98 1jey n PHE 355 Ca 0.00 -0.18 -0.41 0.00 1.01 0.00 0.00 57.45 57.86 1jey n PHE 355 Cb 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.52 1jey n PHE 355 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1jey n PHE 356 N 1.47 2.92 -4.54 1.38 0.99 -0.15 -3.90 117.46 115.63 1jey n PHE 356 Ca 0.18 0.39 -0.25 0.00 -0.00 0.00 0.00 57.45 57.77 1jey n PHE 356 Cb 0.61 -2.55 -0.09 0.00 -1.00 0.00 0.00 39.48 36.45 1jey n PHE 356 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 1jey s MET 357 N -1.61 1.86 0.30 -1.08 -1.94 0.26 -4.96 119.30 112.14 1jey s MET 357 Ca 0.57 -2.10 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 1jey s MET 357 Cb -0.49 -1.00 0.00 0.00 2.01 0.00 0.00 34.83 35.36 1jey s MET 357 CO 0.59 -0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.73 1jey n GLY 358 N -0.88 -2.53 2.20 -0.03 0.00 -1.26 -3.79 105.19 98.89 1jey n GLY 358 Ca -0.06 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1jey n GLY 358 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jey n ASN 359 N -0.02 2.90 -3.61 1.61 3.02 -1.26 -5.06 115.26 112.84 1jey n ASN 359 Ca 0.00 -2.88 -0.07 0.00 -0.03 0.00 0.00 54.58 51.60 1jey n ASN 359 Cb 0.00 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 1jey n ASN 359 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jey s GLN 360 N -3.34 1.02 -0.02 3.52 -2.07 -1.26 -4.46 119.66 113.05 1jey s GLN 360 Ca 0.38 -0.47 0.03 0.00 -1.82 0.00 0.00 55.36 53.49 1jey s GLN 360 Cb 0.37 0.41 -0.01 0.00 -1.09 0.00 0.00 33.01 32.69 1jey s GLN 360 CO -0.02 -0.46 -0.12 0.08 -1.32 0.00 0.00 175.29 173.45 1jey s VAL 361 N -3.25 0.96 -0.06 3.63 1.01 -0.98 -4.71 120.40 116.99 1jey s VAL 361 Ca 0.08 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1jey s VAL 361 Cb -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1jey s VAL 361 CO -0.04 0.28 -0.25 -0.76 0.00 0.00 0.00 175.10 174.33 1jey s LEU 362 N -0.14 2.06 -0.18 3.92 1.43 0.04 -1.37 118.68 124.45 1jey s LEU 362 Ca 0.02 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 1jey s LEU 362 Cb -0.06 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1jey s LEU 362 CO -0.00 0.23 0.06 -0.54 0.23 0.00 0.00 176.35 176.33 1jey s LYS 363 N -0.08 3.92 -0.20 1.70 1.02 0.03 0.14 119.74 126.27 1jey s LYS 363 Ca -0.06 -0.33 -0.02 0.00 0.02 0.00 0.00 55.97 55.58 1jey s LYS 363 Cb -0.14 -3.20 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1jey s LYS 363 CO 0.04 0.32 -0.09 0.08 -0.92 0.00 0.00 175.35 174.78 1jey s VAL 364 N 0.25 3.02 0.42 3.17 1.01 0.00 -1.01 120.40 127.26 1jey s VAL 364 Ca 0.04 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1jey s VAL 364 Cb -0.12 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 1jey s VAL 364 CO 0.00 0.46 0.08 -0.36 0.00 0.00 0.00 175.10 175.29 1jey s PHE 365 N 1.29 2.49 0.54 5.22 0.40 -0.27 -2.21 117.98 125.44 1jey s PHE 365 Ca 0.03 -0.66 -0.18 0.00 -0.60 0.00 0.00 56.93 55.52 1jey s PHE 365 Cb -0.14 -1.84 -0.06 0.00 0.51 0.00 0.00 43.02 41.49 1jey s PHE 365 CO -0.04 0.32 1.06 0.00 0.70 0.00 0.00 175.22 177.25 1jey s ALA 366 N -2.68 2.79 0.51 5.36 0.00 -1.26 -0.20 121.76 126.28 1jey s ALA 366 Ca 0.35 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.65 1jey s ALA 366 Cb 0.07 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1jey s ALA 366 CO 0.19 -0.59 0.65 0.00 0.00 0.00 0.00 175.76 176.00 1jey n ALA 367 N -1.49 -0.90 -1.79 0.00 0.00 -0.71 -4.31 120.51 111.32 1jey n ALA 367 Ca 0.09 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1jey n ALA 367 Cb 0.52 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 1jey n ALA 367 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1jey s ARG 368 N -2.02 4.15 -0.48 0.00 3.52 -1.26 -2.64 118.95 120.23 1jey s ARG 368 Ca 0.67 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.80 1jey s ARG 368 Cb -0.50 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1jey s ARG 368 CO 0.55 -0.65 0.00 -0.25 -0.81 0.00 0.00 175.30 174.14 1jey n ASP 369 N 3.08 -4.80 -4.23 -2.12 8.00 -1.26 -4.96 116.55 110.26 1jey n ASP 369 Ca 0.12 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 1jey n ASP 369 Cb 0.37 -2.69 -0.07 0.00 -0.02 0.00 0.00 41.12 38.71 1jey n ASP 369 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jey s ASP 370 N -2.29 5.95 0.16 -2.24 -1.08 -1.08 -4.94 116.67 111.15 1jey s ASP 370 Ca 0.00 -2.29 -0.14 0.00 -0.52 0.00 0.00 52.55 49.60 1jey s ASP 370 Cb 0.00 -2.06 0.06 0.00 -1.46 0.00 0.00 42.92 39.46 1jey s ASP 370 CO 0.00 -0.62 1.76 -0.08 0.52 0.00 0.00 175.17 176.76 1jey h GLU 371 N 8.04 0.75 -0.37 4.34 4.81 -1.93 -0.70 114.58 129.52 1jey h GLU 371 Ca -0.10 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1jey h GLU 371 Cb 1.04 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1jey h GLU 371 CO 0.83 0.60 0.15 0.00 -0.73 0.00 0.00 179.01 179.85 1jey h ALA 372 N 1.11 0.44 -0.71 2.92 0.00 -1.98 0.85 119.26 121.89 1jey h ALA 372 Ca 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1jey h ALA 372 Cb 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1jey h ALA 372 CO -0.03 -0.24 0.34 0.00 0.00 0.00 0.00 179.25 179.32 1jey h ALA 373 N 1.22 0.91 -0.51 0.00 0.00 -1.85 -1.17 119.26 117.87 1jey h ALA 373 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jey h ALA 373 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1jey h ALA 373 CO -0.15 0.48 0.30 0.00 0.00 0.00 0.00 179.25 179.88 1jey h ALA 374 N 1.16 0.64 -0.48 0.00 0.00 -0.23 0.76 119.26 121.11 1jey h ALA 374 Ca 0.24 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1jey h ALA 374 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1jey h ALA 374 CO -0.03 0.13 0.06 0.28 0.00 0.00 0.00 179.25 179.70 1jey h VAL 375 N 0.68 1.25 0.15 0.00 2.07 -0.70 0.91 116.25 120.60 1jey h VAL 375 Ca 0.18 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1jey h VAL 375 Cb -0.01 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1jey h VAL 375 CO -0.03 0.33 -0.10 0.00 0.02 0.00 0.00 177.57 177.79 1jey h ALA 376 N 0.96 -0.24 -0.66 1.67 0.00 -0.88 -0.90 119.26 119.21 1jey h ALA 376 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jey h ALA 376 Cb 0.41 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1jey h ALA 376 CO 0.01 -0.64 0.19 1.25 0.00 0.00 0.00 179.25 180.06 1jey h LEU 377 N -0.25 0.96 -1.86 0.00 5.85 -0.75 -1.48 115.31 117.78 1jey h LEU 377 Ca -0.01 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1jey h LEU 377 Cb 0.22 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1jey h LEU 377 CO 0.01 0.91 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.71 1jey h SER 378 N 0.98 0.05 -0.04 1.25 0.87 -0.48 -0.67 113.55 115.52 1jey h SER 378 Ca 0.21 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1jey h SER 378 Cb 0.30 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1jey h SER 378 CO -0.00 0.08 0.01 0.28 -0.53 0.00 0.00 176.83 176.67 1jey h SER 379 N 0.06 0.05 0.34 6.23 0.02 -0.09 -2.38 113.55 117.77 1jey h SER 379 Ca 0.01 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1jey h SER 379 Cb 0.08 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1jey h SER 379 CO 0.00 0.25 -0.22 0.25 -1.14 0.00 0.00 176.83 175.97 1jey h LEU 380 N -0.14 -0.55 -0.29 5.07 6.46 -1.04 -1.22 115.31 123.59 1jey h LEU 380 Ca 0.01 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.87 1jey h LEU 380 Cb 0.21 0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 40.23 1jey h LEU 380 CO -0.00 -0.35 -0.34 0.40 -0.62 0.00 0.00 178.44 177.53 1jey h ILE 381 N -0.54 0.23 -0.13 4.05 2.04 -1.15 -0.84 117.51 121.18 1jey h ILE 381 Ca -0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1jey h ILE 381 Cb 0.45 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1jey h ILE 381 CO 0.02 0.00 -0.27 0.45 0.00 0.00 0.00 178.15 178.35 1jey h HIS 382 N -0.32 0.26 -0.28 1.37 3.86 -1.39 -1.02 115.15 117.62 1jey h HIS 382 Ca 0.14 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 1jey h HIS 382 Cb 0.55 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1jey h HIS 382 CO -0.50 0.49 -0.13 0.00 0.86 0.00 0.00 177.93 178.65 1jey h ALA 383 N 1.52 0.40 -0.53 2.45 0.00 -0.52 0.30 119.26 122.87 1jey h ALA 383 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1jey h ALA 383 Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1jey h ALA 383 CO 0.04 0.28 0.11 -0.07 0.00 0.00 0.00 179.25 179.61 1jey h LEU 384 N 0.33 0.83 -0.20 0.00 3.38 -1.02 -0.56 115.31 118.07 1jey h LEU 384 Ca 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1jey h LEU 384 Cb 0.65 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1jey h LEU 384 CO 0.04 0.86 0.06 -0.78 0.09 0.00 0.00 178.44 178.71 1jey h ASP 385 N 0.76 0.29 0.56 -0.43 3.58 -1.05 0.28 116.42 120.41 1jey h ASP 385 Ca 0.16 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1jey h ASP 385 Cb 0.37 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1jey h ASP 385 CO 0.01 0.41 0.00 0.47 -2.88 0.00 0.00 179.24 177.25 1jey n ASP 386 N -4.80 0.49 -0.41 2.28 9.92 0.11 -1.86 116.55 122.28 1jey n ASP 386 Ca -0.04 0.64 0.05 0.00 -0.53 0.00 0.00 54.79 54.91 1jey n ASP 386 Cb 0.15 -0.74 0.05 0.00 -0.64 0.00 0.00 41.12 39.94 1jey n ASP 386 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1jey n LEU 387 N -2.06 1.91 -3.83 0.64 4.77 -0.23 -4.98 117.00 113.22 1jey n LEU 387 Ca 0.02 -1.09 -0.24 0.00 -0.03 0.00 0.00 56.01 54.66 1jey n LEU 387 Cb 0.18 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1jey n LEU 387 CO 0.16 0.39 -0.08 -0.67 -1.33 0.00 0.00 177.39 175.86 1jey n ASP 388 N 0.54 -1.63 -4.30 -1.43 2.03 0.47 -4.94 116.55 107.29 1jey n ASP 388 Ca 0.06 -0.87 -0.26 0.00 0.52 0.00 0.00 54.79 54.25 1jey n ASP 388 Cb 0.26 -3.71 -0.09 0.00 -0.72 0.00 0.00 41.12 36.87 1jey n ASP 388 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1jey s MET 389 N -6.28 1.89 0.15 -0.67 -1.94 0.70 -2.51 119.30 110.64 1jey s MET 389 Ca 0.15 -2.14 -0.05 0.00 -1.71 0.00 0.00 55.69 51.94 1jey s MET 389 Cb -0.07 -0.82 -0.02 0.00 2.01 0.00 0.00 34.83 35.92 1jey s MET 389 CO 0.84 -0.38 0.16 0.14 -0.01 0.00 0.00 175.02 175.78 1jey s VAL 390 N -3.18 0.09 -0.08 -6.03 -7.23 0.44 -4.45 120.40 99.96 1jey s VAL 390 Ca 0.25 -1.66 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 1jey s VAL 390 Cb 0.04 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1jey s VAL 390 CO 0.13 -0.39 0.11 0.00 -0.31 0.00 0.00 175.10 174.65 1jey s ALA 391 N -4.01 3.74 -0.26 1.32 0.00 -0.80 -0.95 121.76 120.80 1jey s ALA 391 Ca 0.21 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1jey s ALA 391 Cb 0.05 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1jey s ALA 391 CO 0.01 0.64 0.02 0.42 0.00 0.00 0.00 175.76 176.85 1jey s ILE 392 N -1.07 3.68 0.27 0.00 -1.09 -0.22 -0.86 121.20 121.91 1jey s ILE 392 Ca 0.18 -0.62 0.05 0.00 -2.23 0.00 0.00 60.65 58.03 1jey s ILE 392 Cb -0.12 -2.81 -0.06 0.00 -1.58 0.00 0.00 42.46 37.90 1jey s ILE 392 CO 0.07 0.23 -0.03 0.68 -1.23 0.00 0.00 174.94 174.66 1jey s VAL 393 N 1.48 1.44 -0.25 2.92 -7.23 0.11 -0.65 120.40 118.22 1jey s VAL 393 Ca 0.04 -2.08 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 1jey s VAL 393 Cb -0.16 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1jey s VAL 393 CO -0.00 -0.28 0.14 -0.60 -0.31 0.00 0.00 175.10 174.05 1jey s ARG 394 N -3.78 3.91 -0.08 4.82 3.52 0.48 -0.10 118.95 127.71 1jey s ARG 394 Ca 0.30 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1jey s ARG 394 Cb 0.05 -3.49 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1jey s ARG 394 CO 0.11 -0.07 -0.22 -0.47 -0.81 0.00 0.00 175.30 173.84 1jey s TYR 395 N 1.39 2.27 -0.14 5.12 5.04 0.61 -1.53 117.35 130.12 1jey s TYR 395 Ca 0.06 -0.83 -0.04 0.00 -2.44 0.00 0.00 57.07 53.82 1jey s TYR 395 Cb -0.15 -1.53 0.06 0.00 0.35 0.00 0.00 41.96 40.69 1jey s TYR 395 CO 0.06 -0.32 0.12 0.00 -1.34 0.00 0.00 175.55 174.07 1jey s ALA 396 N 0.23 0.17 0.13 3.97 0.00 -1.02 0.21 121.76 125.45 1jey s ALA 396 Ca -0.13 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 1jey s ALA 396 Cb -0.16 -0.96 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 1jey s ALA 396 CO 0.06 -0.94 1.57 -0.92 0.00 0.00 0.00 175.76 175.53 1jey h TYR 397 N 8.40 -1.31 -3.41 0.00 3.20 -1.86 -2.58 116.97 119.42 1jey h TYR 397 Ca -0.14 0.05 -0.19 0.00 3.14 0.00 0.00 58.73 61.58 1jey h TYR 397 Cb 1.14 0.59 -0.05 0.00 1.54 0.00 0.00 36.73 39.95 1jey h TYR 397 CO 0.26 -0.50 -0.10 -0.40 -1.64 0.00 0.00 178.16 175.78 1jey n ASP 398 N -5.44 -0.98 0.11 -2.11 5.68 -1.26 -4.54 116.55 108.00 1jey n ASP 398 Ca -0.05 -2.34 0.08 0.00 -0.50 0.00 0.00 54.79 51.99 1jey n ASP 398 Cb 0.37 1.83 0.42 0.00 -1.14 0.00 0.00 41.12 42.60 1jey n ASP 398 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1jey n LYS 399 N -0.41 0.11 -0.05 0.11 2.85 -1.26 -2.47 118.16 117.03 1jey n LYS 399 Ca 0.00 0.55 -0.20 0.00 -1.05 0.00 0.00 58.31 57.61 1jey n LYS 399 Cb 0.42 -1.81 -0.13 0.00 -0.65 0.00 0.00 35.03 32.85 1jey n LYS 399 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1jey n ARG 400 N -2.04 0.71 -1.82 -1.58 0.63 -1.26 -4.57 116.66 106.73 1jey n ARG 400 Ca -0.00 0.21 -0.39 0.00 -0.92 0.00 0.00 57.85 56.75 1jey n ARG 400 Cb 0.07 -1.63 0.03 0.00 0.45 0.00 0.00 32.46 31.38 1jey n ARG 400 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jey s ALA 401 N -2.54 3.02 0.25 5.13 0.00 -1.03 -4.95 121.76 121.63 1jey s ALA 401 Ca -0.27 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 1jey s ALA 401 Cb 0.08 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 1jey s ALA 401 CO 0.70 -1.24 1.34 -0.80 0.00 0.00 0.00 175.76 175.76 1jey s ASN 402 N -0.78 6.81 0.55 0.00 0.01 -1.26 -4.79 114.94 115.48 1jey s ASN 402 Ca 0.66 2.54 -0.18 0.00 -0.71 0.00 0.00 52.86 55.17 1jey s ASN 402 Cb -0.41 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.57 1jey s ASN 402 CO 0.51 -0.57 1.09 -2.16 -1.51 0.00 0.00 177.10 174.46 1jey s PRO 403 N -0.59 3.40 0.18 -0.60 0.04 -1.26 -4.77 135.00 131.39 1jey s PRO 403 Ca 0.55 1.45 0.09 0.00 0.04 0.00 0.00 61.00 63.13 1jey s PRO 403 Cb -0.39 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1jey s PRO 403 CO 0.43 -0.78 -0.18 -0.65 0.04 0.00 0.00 177.00 175.86 1jey s GLN 404 N -3.50 1.31 -0.03 4.56 -0.21 0.13 -4.97 119.66 116.95 1jey s GLN 404 Ca 0.69 -1.46 0.01 0.00 0.02 0.00 0.00 55.36 54.61 1jey s GLN 404 Cb -0.20 -1.31 -0.03 0.00 1.00 0.00 0.00 33.01 32.47 1jey s GLN 404 CO 0.28 0.25 -0.02 0.08 -2.12 0.00 0.00 175.29 173.77 1jey s VAL 405 N -2.26 4.05 0.36 1.09 1.01 -1.26 -0.28 120.40 123.10 1jey s VAL 405 Ca 0.18 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1jey s VAL 405 Cb -0.05 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.64 1jey s VAL 405 CO 0.07 0.48 0.82 -0.83 0.00 0.00 0.00 175.10 175.64 1jey s GLY 406 N -1.23 0.34 0.01 4.51 0.00 0.86 -1.11 107.32 110.70 1jey s GLY 406 Ca 0.16 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.21 1jey s GLY 406 CO 0.06 0.02 -0.07 0.54 0.00 0.00 0.00 173.10 173.65 1jey s VAL 407 N -2.28 3.64 -0.24 1.40 0.11 0.02 0.04 120.40 123.09 1jey s VAL 407 Ca 0.16 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1jey s VAL 407 Cb -0.05 -2.59 0.06 0.00 -1.53 0.00 0.00 36.38 32.27 1jey s VAL 407 CO 0.11 0.37 -0.04 0.00 -3.33 0.00 0.00 175.10 172.21 1jey s ALA 408 N -1.01 1.94 0.13 1.54 0.00 -0.04 -1.72 121.76 122.60 1jey s ALA 408 Ca 0.17 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 50.84 1jey s ALA 408 Cb -0.11 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1jey s ALA 408 CO 0.08 -1.22 -0.13 -0.59 0.00 0.00 0.00 175.76 173.90 1jey s PHE 409 N 1.40 2.64 0.28 0.00 -0.12 -0.10 -1.91 117.98 120.16 1jey s PHE 409 Ca -0.05 -0.21 -0.30 0.00 -0.05 0.00 0.00 56.93 56.32 1jey s PHE 409 Cb -0.19 -1.36 -0.11 0.00 -0.63 0.00 0.00 43.02 40.74 1jey s PHE 409 CO -0.07 0.44 1.52 -1.25 -0.05 0.00 0.00 175.22 175.81 1jey s PRO 410 N -2.38 4.18 -0.35 1.99 0.04 -1.26 -0.28 135.00 136.94 1jey s PRO 410 Ca 0.21 2.47 -0.00 0.00 0.04 0.00 0.00 61.00 63.72 1jey s PRO 410 Cb -0.10 -3.05 0.12 0.00 0.04 0.00 0.00 34.50 31.50 1jey s PRO 410 CO 0.13 -0.54 0.16 -1.58 0.04 0.00 0.00 177.00 175.22 1jey s HIS 411 N -0.11 1.45 -0.27 0.56 2.46 0.76 -4.85 115.29 115.29 1jey s HIS 411 Ca 0.61 -1.82 -0.08 0.00 0.47 0.00 0.00 55.06 54.24 1jey s HIS 411 Cb -0.45 -1.53 -0.02 0.00 -0.13 0.00 0.00 32.58 30.45 1jey s HIS 411 CO 0.47 -0.84 0.09 0.42 -2.47 0.00 0.00 174.74 172.42 1jey s ILE 412 N 1.21 4.35 0.13 0.89 1.01 -1.26 -1.26 121.20 126.27 1jey s ILE 412 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1jey s ILE 412 Cb -0.20 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 1jey s ILE 412 CO -0.14 0.24 0.00 0.29 0.00 0.00 0.00 174.94 175.33 1jey n LYS 413 N 4.93 1.62 0.01 2.79 4.76 -0.65 -5.03 118.16 126.59 1jey n LYS 413 Ca -0.15 -0.93 -0.06 0.00 -2.87 0.00 0.00 58.31 54.30 1jey n LYS 413 Cb 0.50 0.27 -0.12 0.00 -1.84 0.00 0.00 35.03 33.85 1jey n LYS 413 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1jey h HIS 414 N 1.07 0.00 0.00 2.13 2.07 -2.04 -3.37 115.15 115.01 1jey h HIS 414 Ca -0.10 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.33 1jey h HIS 414 Cb 0.32 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.29 1jey h HIS 414 CO 0.00 0.87 -1.44 0.09 -3.07 0.00 0.00 177.93 174.39 1jey n ASN 415 N -3.05 0.64 -3.51 3.10 4.13 -1.26 -5.02 115.26 110.28 1jey n ASN 415 Ca -0.12 0.26 -0.09 0.00 1.68 0.00 0.00 54.58 56.31 1jey n ASN 415 Cb 0.97 0.67 -0.02 0.00 -1.54 0.00 0.00 39.78 39.86 1jey n ASN 415 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1jey s TYR 416 N -3.17 -0.38 0.09 3.10 -0.85 -1.26 -5.17 117.35 109.70 1jey s TYR 416 Ca -0.03 0.20 0.06 0.00 -0.52 0.00 0.00 57.07 56.77 1jey s TYR 416 Cb 0.10 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.97 1jey s TYR 416 CO 0.82 -0.70 -0.16 -1.21 -1.52 0.00 0.00 175.55 172.79 1jey s GLU 417 N -3.37 0.93 0.13 -3.49 2.02 -1.26 -1.63 118.70 112.03 1jey s GLU 417 Ca 0.05 -1.05 -0.24 0.00 0.02 0.00 0.00 54.97 53.74 1jey s GLU 417 Cb -0.01 -1.00 0.08 0.00 0.10 0.00 0.00 34.13 33.30 1jey s GLU 417 CO -0.09 0.22 1.08 0.00 0.02 0.00 0.00 175.26 176.49 1jey s LEU 419 N -3.31 3.80 -0.18 0.00 1.43 -0.94 -0.17 118.68 119.31 1jey s LEU 419 Ca 0.20 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.41 1jey s LEU 419 Cb -0.01 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1jey s LEU 419 CO 0.03 0.33 0.04 -0.69 0.23 0.00 0.00 176.35 176.29 1jey s VAL 420 N -1.04 4.60 -0.14 -1.59 1.01 0.62 -0.82 120.40 123.05 1jey s VAL 420 Ca 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1jey s VAL 420 Cb -0.12 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1jey s VAL 420 CO 0.08 0.47 -0.05 -0.47 0.00 0.00 0.00 175.10 175.13 1jey s TYR 421 N 0.35 3.00 -0.04 5.22 5.04 0.38 -0.93 117.35 130.36 1jey s TYR 421 Ca 0.02 -0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 54.36 1jey s TYR 421 Cb -0.13 -1.90 0.02 0.00 0.35 0.00 0.00 41.96 40.30 1jey s TYR 421 CO 0.01 0.03 0.11 0.08 -1.34 0.00 0.00 175.55 174.43 1jey s VAL 422 N 0.12 -0.02 0.39 3.14 1.01 -0.70 -0.78 120.40 123.56 1jey s VAL 422 Ca -0.02 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.79 1jey s VAL 422 Cb -0.14 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 35.99 1jey s VAL 422 CO 0.03 0.03 1.21 -1.58 0.00 0.00 0.00 175.10 174.79 1jey s GLN 423 N 0.51 4.07 0.37 2.72 0.74 -1.25 -0.79 119.66 126.03 1jey s GLN 423 Ca -0.04 1.95 0.07 0.00 0.05 0.00 0.00 55.36 57.39 1jey s GLN 423 Cb -0.05 -2.74 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 1jey s GLN 423 CO -0.02 -0.34 0.37 -0.51 -0.55 0.00 0.00 175.29 174.24 1jey s LEU 424 N -2.40 3.59 0.43 3.68 1.43 -0.26 -0.57 118.68 124.57 1jey s LEU 424 Ca 0.56 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 1jey s LEU 424 Cb -0.33 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 1jey s LEU 424 CO 0.42 -0.50 0.81 -2.16 0.23 0.00 0.00 176.35 175.15 1jey s PRO 425 N -4.10 3.77 0.23 1.29 0.04 -1.25 -4.62 135.00 130.37 1jey s PRO 425 Ca 0.45 0.51 -0.06 0.00 0.04 0.00 0.00 61.00 61.95 1jey s PRO 425 Cb -0.06 -2.35 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1jey s PRO 425 CO 0.28 -0.10 0.49 -0.06 0.04 0.00 0.00 177.00 177.66 1jey s PHE 426 N -2.46 3.46 0.35 0.56 2.99 -1.26 -4.97 117.98 116.65 1jey s PHE 426 Ca 0.52 0.65 0.13 0.00 0.00 0.00 0.00 56.93 58.23 1jey s PHE 426 Cb -0.10 -2.10 0.98 0.00 0.00 0.00 0.00 43.02 41.80 1jey s PHE 426 CO 0.33 0.28 1.74 1.98 -0.00 0.00 0.00 175.22 179.55 1jey h MET 427 N 2.22 0.48 0.00 0.44 1.85 -1.98 0.42 114.93 118.37 1jey h MET 427 Ca -0.47 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.59 1jey h MET 427 Cb 1.18 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.10 1jey h MET 427 CO 0.69 0.32 0.00 0.39 -0.40 0.00 0.00 176.91 177.91 1jey n GLU 428 N -4.80 0.34 0.02 0.39 4.71 -1.26 -2.21 120.64 117.82 1jey n GLU 428 Ca 0.27 0.08 0.11 0.00 -0.01 0.00 0.00 57.16 57.61 1jey n GLU 428 Cb 0.82 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.70 1jey n GLU 428 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1jey n ASP 429 N -1.17 0.56 -4.86 1.62 8.00 0.15 -4.98 116.55 115.87 1jey n ASP 429 Ca 0.09 -0.30 -0.31 0.00 0.71 0.00 0.00 54.79 54.98 1jey n ASP 429 Cb 0.09 1.08 -0.04 0.00 -0.02 0.00 0.00 41.12 42.23 1jey n ASP 429 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jey s LEU 430 N -3.92 3.89 -0.12 0.64 1.43 -0.94 -4.99 118.68 114.66 1jey s LEU 430 Ca 0.02 1.22 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 1jey s LEU 430 Cb 0.14 -4.08 0.05 0.00 0.03 0.00 0.00 46.19 42.33 1jey s LEU 430 CO 0.84 -0.36 0.07 -0.13 0.23 0.00 0.00 176.35 177.00 1jey s ARG 431 N -3.60 0.11 -0.95 1.70 0.52 -1.26 -5.06 118.95 110.42 1jey s ARG 431 Ca 0.53 0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 55.75 1jey s ARG 431 Cb -0.10 -1.34 0.12 0.00 0.52 0.00 0.00 34.95 34.15 1jey s ARG 431 CO 0.27 -0.52 2.48 1.04 0.02 0.00 0.00 175.30 178.59 1jey n GLN 432 N 5.25 3.75 -2.05 3.54 6.02 -1.26 -4.98 117.38 127.66 1jey n GLN 432 Ca -0.06 -3.12 -0.42 0.00 -0.01 0.00 0.00 57.00 53.39 1jey n GLN 432 Cb 0.49 -2.42 -0.03 0.00 1.02 0.00 0.00 30.24 29.31 1jey n GLN 432 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1jey s TYR 433 N -1.71 2.67 0.21 1.08 4.12 -1.26 -4.98 117.35 117.48 1jey s TYR 433 Ca 0.55 0.56 -0.21 0.00 0.02 0.00 0.00 57.07 57.98 1jey s TYR 433 Cb 0.27 -3.84 -0.08 0.00 -1.52 0.00 0.00 41.96 36.79 1jey s TYR 433 CO -0.16 -3.23 0.74 -1.64 0.02 0.00 0.00 175.55 171.28 1jey s MET 434 N 2.37 4.34 -0.01 -0.62 -1.94 -1.26 -5.07 119.30 117.11 1jey s MET 434 Ca 0.69 0.96 0.05 0.00 -1.71 0.00 0.00 55.69 55.68 1jey s MET 434 Cb -0.37 -2.97 -0.01 0.00 2.01 0.00 0.00 34.83 33.49 1jey s MET 434 CO 0.30 0.44 -0.17 -0.06 -0.01 0.00 0.00 175.02 175.52 1jey s PHE 435 N -1.43 1.49 0.44 -0.03 0.40 -1.26 -5.12 117.98 112.47 1jey s PHE 435 Ca 0.41 -0.29 -0.26 0.00 -0.60 0.00 0.00 56.93 56.20 1jey s PHE 435 Cb -0.18 -0.96 -0.08 0.00 0.51 0.00 0.00 43.02 42.30 1jey s PHE 435 CO 0.22 -0.03 1.42 -1.12 0.70 0.00 0.00 175.22 176.42 1jey s SER 436 N -0.37 5.94 0.39 1.36 0.01 -1.26 -4.94 113.70 114.83 1jey s SER 436 Ca 0.06 2.92 -0.27 0.00 1.31 0.00 0.00 55.95 59.97 1jey s SER 436 Cb -0.07 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 1jey s SER 436 CO -0.01 -1.13 1.33 -0.44 0.41 0.00 0.00 173.24 173.40 1jey s SER 437 N -0.49 6.39 -0.10 2.44 0.01 -1.26 -4.94 113.70 115.74 1jey s SER 437 Ca 0.60 2.72 0.09 0.00 1.31 0.00 0.00 55.95 60.67 1jey s SER 437 Cb -0.44 -2.64 -0.13 0.00 0.21 0.00 0.00 66.02 63.02 1jey s SER 437 CO 0.56 -0.80 0.03 0.18 0.41 0.00 0.00 173.24 173.62 1jey n LEU 438 N 0.29 0.08 0.05 2.44 4.77 -1.26 -4.32 117.00 119.06 1jey n LEU 438 Ca 0.03 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1jey n LEU 438 Cb 0.43 0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.67 1jey n LEU 438 CO 0.58 0.27 0.71 0.50 -1.33 0.00 0.00 177.39 178.11 1jey h LYS 439 N 0.00 -0.11 -1.99 3.23 3.64 -2.00 -2.81 116.57 116.53 1jey h LYS 439 Ca -0.29 0.01 -0.39 0.00 -1.27 0.00 0.00 60.65 58.72 1jey h LYS 439 Cb 1.64 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 33.35 1jey h LYS 439 CO 0.01 0.16 0.11 0.09 -2.27 0.00 0.00 179.45 177.56 1jey n ASN 440 N -5.02 6.03 -4.73 4.20 3.02 -1.26 -4.93 115.26 112.57 1jey n ASN 440 Ca -0.08 -2.94 -0.37 0.00 -0.03 0.00 0.00 54.58 51.15 1jey n ASN 440 Cb 0.18 -1.30 -0.07 0.00 -0.61 0.00 0.00 39.78 37.98 1jey n ASN 440 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1jey s SER 441 N 0.94 6.51 -0.20 6.41 0.15 -1.06 -4.91 113.70 121.54 1jey s SER 441 Ca 0.61 0.60 0.15 0.00 0.70 0.00 0.00 55.95 58.01 1jey s SER 441 Cb 0.36 -2.21 0.68 0.00 -1.71 0.00 0.00 66.02 63.14 1jey s SER 441 CO -0.14 0.09 1.59 0.29 1.20 0.00 0.00 173.24 176.27 1jey n LYS 442 N 3.53 3.95 0.00 5.44 4.76 -1.26 -4.13 118.16 130.44 1jey n LYS 442 Ca -0.11 -2.99 0.00 0.00 -2.87 0.00 0.00 58.31 52.34 1jey n LYS 442 Cb 0.52 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 1jey n LYS 442 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1jey n LYS 443 N 0.17 0.00 -0.32 1.97 5.02 -1.26 -4.93 118.16 118.81 1jey n LYS 443 Ca 0.25 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.61 1jey n LYS 443 Cb 1.03 -0.57 0.21 0.00 -0.02 0.00 0.00 35.03 35.68 1jey n LYS 443 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jey n TYR 444 N -1.91 0.70 -2.12 2.13 4.02 -1.26 -5.00 117.16 113.71 1jey n TYR 444 Ca 0.00 -0.73 -0.42 0.00 -0.01 0.00 0.00 57.90 56.74 1jey n TYR 444 Cb 0.14 -0.19 -0.03 0.00 -0.02 0.00 0.00 39.34 39.24 1jey n TYR 444 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jey s ALA 445 N -2.08 3.62 0.49 -0.72 0.00 -1.26 -4.99 121.76 116.82 1jey s ALA 445 Ca 0.33 1.08 -0.20 0.00 0.00 0.00 0.00 51.96 53.18 1jey s ALA 445 Cb 0.24 -3.59 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 1jey s ALA 445 CO 0.11 -0.81 1.02 -1.25 0.00 0.00 0.00 175.76 174.83 1jey s PRO 446 N 1.80 3.82 0.97 0.00 0.04 -1.26 -5.05 135.00 135.31 1jey s PRO 446 Ca 0.67 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 1jey s PRO 446 Cb -0.36 -2.10 0.18 0.00 0.04 0.00 0.00 34.50 32.25 1jey s PRO 446 CO 0.30 -0.40 1.21 0.95 0.04 0.00 0.00 177.00 179.09 1jey s THR 447 N -2.10 1.92 0.23 1.26 -4.23 -1.26 -4.84 115.64 106.62 1jey s THR 447 Ca 0.66 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.11 1jey s THR 447 Cb -0.15 -2.83 0.14 0.00 1.34 0.00 0.00 72.50 71.01 1jey s THR 447 CO 0.21 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 175.99 1jey h GLU 448 N -1.70 1.07 -0.49 3.99 4.57 -1.99 -2.07 114.58 117.96 1jey h GLU 448 Ca -0.47 -0.22 -0.12 0.00 -1.18 0.00 0.00 59.36 57.37 1jey h GLU 448 Cb 1.29 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1jey h GLU 448 CO 0.49 0.91 -0.17 0.00 -1.18 0.00 0.00 179.01 179.05 1jey h ALA 449 N 1.20 0.76 -0.53 2.92 0.00 -1.99 -1.76 119.26 119.85 1jey h ALA 449 Ca 0.22 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1jey h ALA 449 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jey h ALA 449 CO -0.01 0.67 0.09 1.96 0.00 0.00 0.00 179.25 181.96 1jey h GLN 450 N 0.85 0.88 -0.85 0.00 4.20 -1.88 -1.22 115.11 117.08 1jey h GLN 450 Ca 0.12 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1jey h GLN 450 Cb 0.74 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 1jey h GLN 450 CO 0.06 0.85 0.41 -0.07 -0.67 0.00 0.00 178.83 179.41 1jey h LEU 451 N 0.76 1.12 -0.95 1.46 3.38 -1.21 -1.72 115.31 118.15 1jey h LEU 451 Ca 0.16 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1jey h LEU 451 Cb 0.39 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1jey h LEU 451 CO 0.01 0.94 -0.43 0.78 0.09 0.00 0.00 178.44 179.83 1jey h ASN 452 N 1.22 0.21 -0.18 -0.43 2.35 -1.06 0.38 115.58 118.07 1jey h ASN 452 Ca 0.29 -0.09 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 1jey h ASN 452 Cb 0.11 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1jey h ASN 452 CO -0.04 0.62 -0.42 0.00 -1.65 0.00 0.00 177.43 175.94 1jey h ALA 453 N 1.39 0.71 -0.14 -0.83 0.00 -0.81 -0.14 119.26 119.43 1jey h ALA 453 Ca 0.01 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 1jey h ALA 453 Cb 0.83 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1jey h ALA 453 CO 0.06 0.67 -0.67 0.28 0.00 0.00 0.00 179.25 179.59 1jey h VAL 454 N 0.59 1.33 -0.82 0.00 2.07 -1.12 -0.52 116.25 117.77 1jey h VAL 454 Ca 0.04 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.56 1jey h VAL 454 Cb 0.97 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 1jey h VAL 454 CO 0.09 0.61 0.36 -0.78 0.02 0.00 0.00 177.57 177.87 1jey h ASP 455 N 0.41 1.10 0.17 0.57 1.82 -0.72 -0.06 116.42 119.71 1jey h ASP 455 Ca -0.02 -0.15 -0.17 0.00 -0.39 0.00 0.00 57.03 56.29 1jey h ASP 455 Cb 1.25 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 1jey h ASP 455 CO 0.13 0.95 -0.66 0.00 -1.61 0.00 0.00 179.24 178.05 1jey h ALA 456 N 1.20 0.64 -0.40 -0.78 0.00 -0.88 -2.78 119.26 116.26 1jey h ALA 456 Ca 0.28 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1jey h ALA 456 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1jey h ALA 456 CO -0.03 0.73 0.16 1.25 0.00 0.00 0.00 179.25 181.35 1jey h LEU 457 N 0.33 0.55 -1.09 0.00 5.85 -0.57 -1.61 115.31 118.76 1jey h LEU 457 Ca -0.02 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1jey h LEU 457 Cb 1.21 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1jey h LEU 457 CO 0.12 0.58 0.08 0.40 -0.34 0.00 0.00 178.44 179.27 1jey h ILE 458 N 0.50 1.22 -0.23 4.05 2.04 -0.99 -1.41 117.51 122.68 1jey h ILE 458 Ca 0.13 -0.81 -0.19 0.00 1.00 0.00 0.00 64.86 65.00 1jey h ILE 458 Cb 0.20 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1jey h ILE 458 CO -0.01 0.29 -0.58 0.44 0.00 0.00 0.00 178.15 178.29 1jey h ASP 459 N 0.69 0.92 -0.64 1.72 3.32 -1.33 -3.06 116.42 118.03 1jey h ASP 459 Ca 0.15 -0.56 -0.09 0.00 0.02 0.00 0.00 57.03 56.55 1jey h ASP 459 Cb 0.31 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1jey h ASP 459 CO 0.00 1.32 0.05 0.77 -1.72 0.00 0.00 179.24 179.66 1jey h SER 460 N 0.56 1.06 -0.35 6.45 4.64 -1.02 -2.96 113.55 121.93 1jey h SER 460 Ca -0.01 -0.28 -0.13 0.00 -0.47 0.00 0.00 61.79 60.90 1jey h SER 460 Cb 1.20 -0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 62.92 1jey h SER 460 CO 0.13 1.08 0.17 0.23 -0.87 0.00 0.00 176.83 177.56 1jey n MET 461 N -4.19 2.01 -1.98 4.77 2.81 -0.55 -4.57 117.12 115.41 1jey n MET 461 Ca 0.04 -1.32 -0.41 0.00 -1.81 0.00 0.00 57.70 54.19 1jey n MET 461 Cb 0.32 -1.64 -0.02 0.00 -0.71 0.00 0.00 33.22 31.17 1jey n MET 461 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1jey s SER 462 N -0.13 6.62 -0.12 7.83 0.15 -1.12 -4.90 113.70 122.03 1jey s SER 462 Ca 0.24 2.69 0.17 0.00 0.70 0.00 0.00 55.95 59.75 1jey s SER 462 Cb 0.20 -2.62 0.67 0.00 -1.71 0.00 0.00 66.02 62.56 1jey s SER 462 CO 0.06 -0.73 1.59 0.18 1.20 0.00 0.00 173.24 175.53 1jey n LEU 463 N 2.40 4.60 -4.24 3.45 4.77 -1.26 -4.92 117.00 121.81 1jey n LEU 463 Ca 0.07 -2.52 -0.13 0.00 -0.03 0.00 0.00 56.01 53.40 1jey n LEU 463 Cb 0.40 -0.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.83 1jey n LEU 463 CO 0.61 0.77 -0.29 0.00 -1.33 0.00 0.00 177.39 177.16 1jey s ALA 464 N -1.98 1.32 -0.28 -1.18 0.00 -1.26 -0.49 121.76 117.90 1jey s ALA 464 Ca 0.48 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.59 1jey s ALA 464 Cb 0.32 0.89 0.10 0.00 0.00 0.00 0.00 23.12 24.42 1jey s ALA 464 CO 0.21 -0.44 0.80 0.21 0.00 0.00 0.00 175.76 176.55 1jey s LYS 465 N -4.01 0.64 -1.32 0.00 2.20 -0.50 -4.89 119.74 111.86 1jey s LYS 465 Ca 0.30 0.98 -0.15 0.00 -0.36 0.00 0.00 55.97 56.74 1jey s LYS 465 Cb 0.07 0.20 0.09 0.00 -1.51 0.00 0.00 37.83 36.68 1jey s LYS 465 CO 0.07 -0.11 1.81 1.63 -0.36 0.00 0.00 175.35 178.39 1jey n LYS 466 N 3.58 3.19 -2.57 4.03 5.02 -1.26 0.56 118.16 130.71 1jey n LYS 466 Ca -0.17 -3.25 -0.24 0.00 -2.02 0.00 0.00 58.31 52.62 1jey n LYS 466 Cb 0.57 -3.30 0.12 0.00 -0.02 0.00 0.00 35.03 32.40 1jey n LYS 466 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1jey s ASP 467 N 3.35 4.19 -0.69 4.39 2.15 -1.22 -4.35 116.67 124.49 1jey s ASP 467 Ca 0.49 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1jey s ASP 467 Cb 0.06 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 1jey s ASP 467 CO 0.02 -1.98 0.00 -0.62 -0.17 0.00 0.00 175.17 172.42 1jey n GLU 468 N -2.92 -2.12 -0.71 4.34 1.02 -1.26 -3.78 120.64 115.21 1jey n GLU 468 Ca 0.16 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1jey n GLU 468 Cb 0.61 -4.82 0.00 0.00 -0.02 0.00 0.00 31.44 27.21 1jey n GLU 468 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jey n LYS 469 N -2.33 0.00 -0.53 3.49 4.76 -1.26 -4.83 118.16 117.47 1jey n LYS 469 Ca -0.08 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1jey n LYS 469 Cb 0.47 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1jey n LYS 469 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1jey n THR 470 N 0.20 0.00 -1.00 -0.18 -2.24 -1.25 -4.96 114.28 104.85 1jey n THR 470 Ca 0.00 -0.02 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1jey n THR 470 Cb 0.00 0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1jey n THR 470 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jey n ASP 471 N 0.01 -5.47 -4.83 3.42 8.00 -1.26 -4.95 116.55 111.46 1jey n ASP 471 Ca -0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1jey n ASP 471 Cb 0.61 -2.98 -0.06 0.00 -0.02 0.00 0.00 41.12 38.67 1jey n ASP 471 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jey s THR 472 N -1.18 4.75 -0.25 -3.53 2.01 -1.26 -5.05 115.64 111.12 1jey s THR 472 Ca 0.00 1.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.87 1jey s THR 472 Cb 0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1jey s THR 472 CO 0.00 0.30 0.47 -0.76 -0.69 0.00 0.00 174.62 173.94 1jey s LEU 473 N -1.79 4.07 -0.27 4.42 1.43 -1.26 -3.41 118.68 121.86 1jey s LEU 473 Ca 0.37 0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 53.83 1jey s LEU 473 Cb -0.16 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1jey s LEU 473 CO 0.20 -0.23 0.28 -1.61 0.23 0.00 0.00 176.35 175.22 1jey s GLU 474 N 2.09 3.99 -0.22 1.70 0.41 0.19 -4.90 118.70 121.96 1jey s GLU 474 Ca 0.20 -0.13 -0.29 0.00 -0.41 0.00 0.00 54.97 54.34 1jey s GLU 474 Cb -0.16 -3.65 0.00 0.00 -1.78 0.00 0.00 34.13 28.54 1jey s GLU 474 CO 0.09 -0.22 1.14 0.34 -0.49 0.00 0.00 175.26 176.12 1jey s ASP 475 N 1.67 7.00 0.00 -0.19 -1.08 -1.26 -1.40 116.67 121.40 1jey s ASP 475 Ca 0.11 1.45 0.27 0.00 -0.52 0.00 0.00 52.55 53.87 1jey s ASP 475 Cb -0.16 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.72 1jey s ASP 475 CO 0.10 -0.75 1.73 0.18 0.52 0.00 0.00 175.17 176.96 1jey n LEU 476 N 6.55 0.21 -3.04 -1.34 4.77 0.36 -4.36 117.00 120.15 1jey n LEU 476 Ca 0.13 0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 56.21 1jey n LEU 476 Cb 0.46 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1jey n LEU 476 CO 0.55 0.05 -0.12 0.33 -1.33 0.00 0.00 177.39 176.87 1jey n PHE 477 N -1.48 -1.25 -2.40 -1.77 7.35 -1.24 -4.66 117.46 112.01 1jey n PHE 477 Ca 0.07 -3.02 -0.37 0.00 -0.76 0.00 0.00 57.45 53.37 1jey n PHE 477 Cb 0.33 0.28 -0.03 0.00 0.35 0.00 0.00 39.48 40.41 1jey n PHE 477 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1jey s PRO 478 N -0.75 3.29 0.53 -7.13 0.05 -1.26 -4.86 135.00 124.87 1jey s PRO 478 Ca 0.34 -0.97 0.24 0.00 0.05 0.00 0.00 61.00 60.67 1jey s PRO 478 Cb 0.22 -5.29 1.47 0.00 0.05 0.00 0.00 34.50 30.95 1jey s PRO 478 CO -0.14 -2.62 2.13 1.79 0.05 0.00 0.00 177.00 178.21 1jey h THR 479 N 6.80 0.72 0.00 1.26 1.35 -1.97 -2.70 112.91 118.36 1jey h THR 479 Ca 0.19 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1jey h THR 479 Cb 0.99 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1jey h THR 479 CO 1.36 0.07 0.00 0.35 -0.25 0.00 0.00 175.52 177.06 1jey n THR 480 N -3.96 0.36 0.19 6.82 -2.24 -1.26 -1.96 114.28 112.23 1jey n THR 480 Ca -0.03 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1jey n THR 480 Cb 0.17 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.51 1jey n THR 480 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jey n LYS 481 N -1.21 0.54 -2.66 -0.78 5.02 -1.02 -4.91 118.16 113.13 1jey n LYS 481 Ca 0.10 -0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 1jey n LYS 481 Cb 0.12 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1jey n LYS 481 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jey s ILE 482 N -3.38 4.41 0.45 -0.18 1.01 -0.83 -4.36 121.20 118.32 1jey s ILE 482 Ca -0.03 1.94 -0.22 0.00 0.00 0.00 0.00 60.65 62.34 1jey s ILE 482 Cb 0.13 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 1jey s ILE 482 CO 0.85 0.27 1.07 -2.16 0.00 0.00 0.00 174.94 174.97 1jey s PRO 483 N 0.19 3.93 -0.17 2.79 0.04 -1.26 -4.93 135.00 135.58 1jey s PRO 483 Ca 0.49 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1jey s PRO 483 Cb -0.24 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 31.87 1jey s PRO 483 CO 0.30 -0.35 2.13 -1.71 0.04 0.00 0.00 177.00 177.41 1jey n ASN 484 N -0.50 3.29 0.05 6.66 2.85 -1.26 -4.84 115.26 121.52 1jey n ASN 484 Ca 0.07 0.47 0.21 0.00 -0.11 0.00 0.00 54.58 55.23 1jey n ASN 484 Cb 0.50 -1.48 0.73 0.00 1.24 0.00 0.00 39.78 40.77 1jey n ASN 484 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1jey h PRO 485 N 13.03 0.00 -0.15 1.20 0.13 -1.99 -2.78 132.00 141.44 1jey h PRO 485 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1jey h PRO 485 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1jey h PRO 485 CO 0.96 0.00 0.04 0.07 -0.23 0.00 0.00 178.00 178.84 1jey h ARG 486 N 0.00 0.21 0.46 0.86 0.11 -1.99 -2.27 114.38 111.76 1jey h ARG 486 Ca 0.23 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.26 1jey h ARG 486 Cb 1.19 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1jey h ARG 486 CO -0.00 0.20 -0.22 0.74 0.10 0.00 0.00 179.97 180.79 1jey h PHE 487 N 0.21 -0.57 0.00 4.08 0.05 -1.89 -0.44 116.94 118.38 1jey h PHE 487 Ca 0.05 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.82 1jey h PHE 487 Cb 0.08 0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.22 1jey h PHE 487 CO 0.00 -0.27 -0.07 1.96 -0.18 0.00 0.00 178.31 179.75 1jey h GLN 488 N -1.06 0.00 -0.10 1.51 1.08 -1.74 -0.10 115.11 114.70 1jey h GLN 488 Ca -0.06 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1jey h GLN 488 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1jey h GLN 488 CO 0.10 0.07 -0.19 -0.09 -0.95 0.00 0.00 178.83 177.78 1jey h ARG 489 N 0.00 0.31 -0.52 1.46 9.65 -1.41 -1.59 114.38 122.27 1jey h ARG 489 Ca -0.00 -0.19 0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1jey h ARG 489 Cb 0.44 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 1jey h ARG 489 CO 0.01 0.78 0.34 1.25 2.80 0.00 0.00 179.97 185.15 1jey h LEU 490 N -0.13 0.57 -0.52 3.80 5.85 -0.38 -2.42 115.31 122.09 1jey h LEU 490 Ca 0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jey h LEU 490 Cb 0.76 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1jey h LEU 490 CO 0.04 0.41 0.28 -0.26 -0.34 0.00 0.00 178.44 178.58 1jey h PHE 491 N 0.68 0.71 -0.79 1.25 0.05 -1.02 0.17 116.94 118.00 1jey h PHE 491 Ca 0.20 -0.02 0.07 0.00 3.82 0.00 0.00 57.97 62.04 1jey h PHE 491 Cb -0.05 -0.23 -0.06 0.00 2.00 0.00 0.00 35.95 37.61 1jey h PHE 491 CO -0.05 0.53 0.46 0.37 -0.18 0.00 0.00 178.31 179.45 1jey h GLN 492 N 0.69 0.81 0.24 1.51 4.15 -1.05 -0.72 115.11 120.73 1jey h GLN 492 Ca 0.18 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1jey h GLN 492 Cb 0.05 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1jey h GLN 492 CO -0.03 0.53 -0.11 0.00 -1.93 0.00 0.00 178.83 177.29 1jey h LEU 494 N -0.75 0.32 -0.17 0.00 3.38 -0.50 0.17 115.31 117.78 1jey h LEU 494 Ca -0.03 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1jey h LEU 494 Cb 0.50 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jey h LEU 494 CO 0.05 0.06 -0.15 0.25 0.09 0.00 0.00 178.44 178.75 1jey h LEU 495 N 0.44 0.42 -0.77 1.67 5.85 -1.12 -2.53 115.31 119.27 1jey h LEU 495 Ca 0.50 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1jey h LEU 495 Cb 0.86 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 1jey h LEU 495 CO -0.47 0.80 0.46 -0.74 -0.34 0.00 0.00 178.44 178.14 1jey h HIS 496 N 0.05 0.84 -0.08 1.25 2.76 0.71 -0.20 115.15 120.49 1jey h HIS 496 Ca 0.03 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1jey h HIS 496 Cb 0.67 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1jey h HIS 496 CO 0.08 0.41 -0.26 -0.09 -1.30 0.00 0.00 177.93 176.77 1jey h ARG 497 N 0.83 0.13 0.00 5.26 9.65 -0.69 -0.92 114.38 128.64 1jey h ARG 497 Ca 0.35 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1jey h ARG 497 Cb 0.20 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1jey h ARG 497 CO -0.18 0.39 -0.00 0.00 2.80 0.00 0.00 179.97 182.97 1jey h ALA 498 N 1.62 -0.00 0.00 2.80 0.00 -0.64 -3.07 119.26 119.97 1jey h ALA 498 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jey h ALA 498 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jey h ALA 498 CO 0.04 -0.24 -0.11 1.28 0.00 0.00 0.00 179.25 180.22 1jey n LEU 499 N -4.84 0.38 -3.13 0.00 4.77 -0.44 -4.43 117.00 109.32 1jey n LEU 499 Ca -0.09 0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 56.16 1jey n LEU 499 Cb 0.27 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1jey n LEU 499 CO 0.34 -0.05 -0.14 1.41 -1.33 0.00 0.00 177.39 177.61 1jey n HIS 500 N -1.80 -1.98 0.12 -1.77 8.25 -0.36 -5.03 115.22 112.66 1jey n HIS 500 Ca 0.06 -2.61 0.07 0.00 -0.26 0.00 0.00 57.72 54.99 1jey n HIS 500 Cb 0.38 0.68 0.54 0.00 1.12 0.00 0.00 29.99 32.71 1jey n HIS 500 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jey h PRO 501 N 5.17 0.25 0.00 -0.41 0.13 -1.74 -2.94 132.00 132.45 1jey h PRO 501 Ca 0.16 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.24 1jey h PRO 501 Cb 0.98 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1jey h PRO 501 CO 0.26 0.17 -0.45 0.00 -0.23 0.00 0.00 178.00 177.75 1jey h ARG 502 N 0.26 0.00 -6.87 0.86 3.08 -1.94 -3.47 114.38 106.30 1jey h ARG 502 Ca 0.09 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.66 1jey h ARG 502 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1jey h ARG 502 CO -0.02 0.10 0.38 -1.21 -1.07 0.00 0.00 179.97 178.15 1jey s GLU 503 N -3.19 4.54 1.06 0.04 0.41 -1.11 -5.06 118.70 115.39 1jey s GLU 503 Ca 0.04 1.48 -0.15 0.00 -0.41 0.00 0.00 54.97 55.92 1jey s GLU 503 Cb 0.07 -2.88 0.22 0.00 -1.78 0.00 0.00 34.13 29.76 1jey s GLU 503 CO 0.72 0.21 1.13 -1.25 -0.49 0.00 0.00 175.26 175.58 1jey s PRO 504 N -1.91 -0.08 0.40 0.39 0.04 -1.26 -4.93 135.00 127.65 1jey s PRO 504 Ca 0.49 0.17 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 1jey s PRO 504 Cb -0.23 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 1jey s PRO 504 CO 0.29 -3.00 1.25 -0.51 0.04 0.00 0.00 177.00 175.07 1jey s LEU 505 N -6.52 4.22 0.60 -3.56 1.43 -1.26 -5.00 118.68 108.59 1jey s LEU 505 Ca 0.68 2.53 -0.14 0.00 -1.03 0.00 0.00 54.13 56.17 1jey s LEU 505 Cb -0.13 -3.93 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 1jey s LEU 505 CO 0.56 -0.76 1.04 -2.16 0.23 0.00 0.00 176.35 175.25 1jey s PRO 506 N -2.23 3.42 0.75 1.29 0.04 -1.26 -5.05 135.00 131.96 1jey s PRO 506 Ca 0.56 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 1jey s PRO 506 Cb -0.35 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.18 1jey s PRO 506 CO 0.45 -0.72 1.09 -1.25 0.04 0.00 0.00 177.00 176.61 1jey s PRO 507 N -4.49 2.46 0.29 0.56 0.04 -1.26 -4.97 135.00 127.63 1jey s PRO 507 Ca 0.60 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 1jey s PRO 507 Cb -0.13 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 1jey s PRO 507 CO 0.43 -1.35 1.44 -0.89 0.04 0.00 0.00 177.00 176.67 1jey n ILE 508 N -3.24 1.30 -2.21 0.56 5.41 -1.26 -4.93 119.36 114.98 1jey n ILE 508 Ca 0.07 -0.33 -0.41 0.00 1.00 0.00 0.00 62.75 63.09 1jey n ILE 508 Cb 0.56 -1.69 -0.03 0.00 -0.71 0.00 0.00 39.64 37.78 1jey n ILE 508 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1jey s GLN 509 N -0.92 4.43 0.28 0.38 -0.21 -1.26 -4.94 119.66 117.42 1jey s GLN 509 Ca 0.63 2.10 -0.02 0.00 0.02 0.00 0.00 55.36 58.09 1jey s GLN 509 Cb -0.57 -3.11 0.43 0.00 1.00 0.00 0.00 33.01 30.76 1jey s GLN 509 CO 0.53 -0.09 1.92 1.96 -2.12 0.00 0.00 175.29 177.49 1jey h GLN 510 N 3.67 1.12 -0.55 2.91 1.08 -1.96 -2.20 115.11 119.18 1jey h GLN 510 Ca -0.48 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 56.69 1jey h GLN 510 Cb 1.22 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 28.37 1jey h GLN 510 CO 0.67 0.74 0.36 1.12 -0.95 0.00 0.00 178.83 180.77 1jey h HIS 511 N 1.15 0.58 0.28 2.96 2.07 -1.93 0.38 115.15 120.65 1jey h HIS 511 Ca 0.38 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.90 1jey h HIS 511 Cb 0.07 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 29.86 1jey h HIS 511 CO -0.00 0.33 -0.14 0.82 -3.07 0.00 0.00 177.93 175.87 1jey h ILE 512 N 0.60 0.73 -0.89 6.12 1.08 -1.68 -0.08 117.51 123.38 1jey h ILE 512 Ca 0.22 -0.04 0.04 0.00 -0.39 0.00 0.00 64.86 64.70 1jey h ILE 512 Cb 0.15 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 1jey h ILE 512 CO -0.06 0.01 0.58 -0.50 -0.69 0.00 0.00 178.15 177.49 1jey h TRP 513 N -0.40 1.06 0.00 1.37 4.06 -1.16 -1.31 115.95 119.57 1jey h TRP 513 Ca -0.04 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 1jey h TRP 513 Cb 0.31 -0.35 -0.00 0.00 -1.00 0.00 0.00 29.16 28.11 1jey h TRP 513 CO -0.05 0.60 -0.15 -0.91 -3.56 0.00 0.00 178.44 174.37 1jey h ASN 514 N 1.08 0.00 1.30 -3.49 2.35 0.47 -2.47 115.58 114.82 1jey h ASN 514 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1jey h ASN 514 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1jey h ASN 514 CO -0.12 0.15 -0.56 0.00 -1.65 0.00 0.00 177.43 175.25 1jey h MET 515 N 0.00 0.00 -0.01 0.81 -0.00 0.11 -3.30 114.93 112.55 1jey h MET 515 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1jey h MET 515 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 1jey h MET 515 CO 0.02 0.00 -0.13 1.28 -0.00 0.00 0.00 176.91 178.08 1jey n LEU 516 N -2.66 1.18 -4.71 -0.10 4.77 -0.92 -4.87 117.00 109.69 1jey n LEU 516 Ca 0.02 -0.34 -0.26 0.00 -0.03 0.00 0.00 56.01 55.40 1jey n LEU 516 Cb 0.51 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1jey n LEU 516 CO 0.37 0.21 -0.29 0.20 -1.33 0.00 0.00 177.39 176.54 1jey s ASN 517 N -2.27 5.00 0.91 -1.43 0.01 -1.12 -5.09 114.94 110.95 1jey s ASN 517 Ca 0.31 -0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 52.01 1jey s ASN 517 Cb 0.20 -1.14 0.14 0.00 0.41 0.00 0.00 41.25 40.86 1jey s ASN 517 CO 0.43 0.07 1.11 -2.16 -1.51 0.00 0.00 177.10 175.05 1jey s PRO 518 N -3.08 1.16 0.25 -0.60 0.04 -1.26 -4.71 135.00 126.80 1jey s PRO 518 Ca 0.29 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1jey s PRO 518 Cb -0.09 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 1jey s PRO 518 CO 0.20 -2.22 1.21 -2.30 0.04 0.00 0.00 177.00 173.93 1jey n PRO 519 N -3.81 1.60 0.02 0.56 -0.02 -1.25 -4.80 135.00 127.29 1jey n PRO 519 Ca 0.06 0.57 0.22 0.00 -2.02 0.00 0.00 63.50 62.33 1jey n PRO 519 Cb 0.58 -2.09 0.73 0.00 -0.02 0.00 0.00 33.50 32.70 1jey n PRO 519 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jey h ALA 520 N 3.14 2.35 0.01 3.55 0.00 -1.93 -0.48 119.26 125.90 1jey h ALA 520 Ca -0.43 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1jey h ALA 520 Cb 1.31 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1jey h ALA 520 CO 0.68 -0.72 -0.03 0.93 0.00 0.00 0.00 179.25 180.11 1jey h GLU 521 N 0.00 -0.06 -0.23 0.00 4.39 -1.88 -2.02 114.58 114.78 1jey h GLU 521 Ca 0.25 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.99 1jey h GLU 521 Cb 1.15 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 1jey h GLU 521 CO -0.00 -0.04 0.01 0.28 -1.16 0.00 0.00 179.01 178.10 1jey h VAL 522 N -0.06 0.85 -0.71 3.13 2.07 -1.41 -1.97 116.25 118.15 1jey h VAL 522 Ca 0.01 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1jey h VAL 522 Cb 0.08 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1jey h VAL 522 CO -0.03 0.02 0.47 0.74 0.02 0.00 0.00 177.57 178.78 1jey h THR 523 N 0.09 1.17 -0.36 2.57 2.02 -1.42 -2.78 112.91 114.19 1jey h THR 523 Ca 0.11 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 1jey h THR 523 Cb 0.13 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1jey h THR 523 CO -0.17 0.17 0.00 0.74 0.37 0.00 0.00 175.52 176.63 1jey h THR 524 N 0.95 1.26 -0.54 3.16 2.02 -1.07 -3.17 112.91 115.52 1jey h THR 524 Ca 0.26 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1jey h THR 524 Cb -0.09 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1jey h THR 524 CO -0.06 0.33 0.29 0.11 0.37 0.00 0.00 175.52 176.55 1jey h LYS 525 N 0.45 0.73 0.00 6.66 1.57 -1.23 -3.07 116.57 121.69 1jey h LYS 525 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1jey h LYS 525 Cb 0.46 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1jey h LYS 525 CO 0.02 0.54 -0.16 0.66 -0.57 0.00 0.00 179.45 179.94 1jey h SER 526 N 0.74 0.00 -0.66 0.86 4.64 -1.46 -3.37 113.55 114.30 1jey h SER 526 Ca 0.19 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.57 1jey h SER 526 Cb 0.02 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.02 1jey h SER 526 CO -0.03 0.16 -0.50 1.56 -0.87 0.00 0.00 176.83 177.15 1jey h GLN 527 N 0.00 -0.14 0.25 4.77 1.08 -1.58 0.52 115.11 120.02 1jey h GLN 527 Ca -0.00 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1jey h GLN 527 Cb 0.72 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 1jey h GLN 527 CO 0.02 -0.09 -0.22 0.82 -0.95 0.00 0.00 178.83 178.41 1jey h ILE 528 N -0.14 0.53 -0.98 2.54 2.04 -1.82 -0.38 117.51 119.30 1jey h ILE 528 Ca 0.11 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.10 1jey h ILE 528 Cb 0.42 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 1jey h ILE 528 CO -0.69 0.00 0.60 -0.65 0.00 0.00 0.00 178.15 177.41 1jey h PRO 529 N -0.49 0.89 -0.71 2.37 0.11 -1.59 0.11 132.00 132.69 1jey h PRO 529 Ca -0.01 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1jey h PRO 529 Cb 0.44 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1jey h PRO 529 CO -0.03 0.59 0.29 -0.07 -0.21 0.00 0.00 178.00 178.57 1jey h LEU 530 N 0.92 0.95 -0.73 2.35 3.38 0.53 -1.94 115.31 120.78 1jey h LEU 530 Ca 0.50 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 1jey h LEU 530 Cb 0.54 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1jey h LEU 530 CO -0.29 0.84 0.33 0.77 0.09 0.00 0.00 178.44 180.19 1jey h SER 531 N 1.02 0.96 0.28 -0.43 4.64 0.90 -1.46 113.55 119.46 1jey h SER 531 Ca 0.24 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1jey h SER 531 Cb 0.18 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1jey h SER 531 CO -0.02 0.84 -0.35 0.11 -0.87 0.00 0.00 176.83 176.53 1jey h LYS 532 N 1.02 0.12 -0.23 4.77 1.57 -0.77 -2.79 116.57 120.26 1jey h LYS 532 Ca 0.25 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 1jey h LYS 532 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1jey h LYS 532 CO -0.03 0.46 -0.45 0.82 -0.57 0.00 0.00 179.45 179.68 1jey h ILE 533 N 0.10 1.30 -0.15 1.86 2.04 -0.79 -1.95 117.51 119.94 1jey h ILE 533 Ca 0.01 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 1jey h ILE 533 Cb 0.68 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1jey h ILE 533 CO 0.05 0.52 -0.07 0.50 0.00 0.00 0.00 178.15 179.14 1jey h LYS 534 N 0.47 0.22 0.00 2.37 3.64 -1.01 -0.89 116.57 121.37 1jey h LYS 534 Ca 0.03 -0.04 -0.26 0.00 -1.27 0.00 0.00 60.65 59.11 1jey h LYS 534 Cb 0.97 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.71 1jey h LYS 534 CO 0.09 0.31 -1.58 1.79 -2.27 0.00 0.00 179.45 177.79 1jey h THR 535 N 0.21 0.89 0.03 1.00 1.35 -1.47 -3.37 112.91 111.55 1jey h THR 535 Ca 0.05 -2.68 -0.22 0.00 -0.55 0.00 0.00 66.41 63.00 1jey h THR 535 Cb 0.27 2.41 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 1jey h THR 535 CO 0.01 0.51 -1.05 -0.07 -0.25 0.00 0.00 175.52 174.67 1jey h LEU 536 N 0.00 0.11 -7.66 3.87 3.38 -1.15 -3.41 115.31 110.44 1jey h LEU 536 Ca -0.24 -0.11 -0.71 0.00 0.09 0.00 0.00 57.88 56.91 1jey h LEU 536 Cb 1.92 -0.03 -0.34 0.00 0.09 0.00 0.00 40.66 42.30 1jey h LEU 536 CO 0.08 1.08 -0.34 -0.36 0.09 0.00 0.00 178.44 178.99 1jey s PHE 537 N -2.71 3.47 0.34 1.13 0.40 -0.36 -4.96 117.98 115.29 1jey s PHE 537 Ca -0.00 -2.53 -0.29 0.00 -0.60 0.00 0.00 56.93 53.51 1jey s PHE 537 Cb 0.09 -3.30 -0.11 0.00 0.51 0.00 0.00 43.02 40.21 1jey s PHE 537 CO 0.83 -0.89 1.56 -0.35 0.70 0.00 0.00 175.22 177.08 1jey n PRO 538 N 3.79 2.73 -3.70 0.24 -0.04 -1.26 -4.82 135.00 131.95 1jey n PRO 538 Ca 0.06 0.96 -0.19 0.00 -0.04 0.00 0.00 63.50 64.29 1jey n PRO 538 Cb 0.39 -2.73 -0.18 0.00 -0.04 0.00 0.00 33.50 30.95 1jey n PRO 538 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jey s LEU 539 N -1.29 0.34 -0.12 1.53 1.43 -1.26 -5.15 118.68 114.17 1jey s LEU 539 Ca 0.59 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.64 1jey s LEU 539 Cb -0.48 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 45.63 1jey s LEU 539 CO 0.56 -0.22 0.32 -0.51 0.23 0.00 0.00 176.35 176.72 1jey s ILE 540 N 1.94 -0.00 0.17 -0.59 2.07 -1.26 -5.15 121.20 118.39 1jey s ILE 540 Ca 0.02 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.96 1jey s ILE 540 Cb -0.12 -0.44 -0.08 0.00 0.13 0.00 0.00 42.46 41.94 1jey s ILE 540 CO -0.03 0.00 1.26 -1.61 -1.91 0.00 0.00 174.94 172.65 1jey s GLU 541 N 0.17 4.43 0.48 3.50 2.02 -1.26 -4.99 118.70 123.06 1jey s GLU 541 Ca -0.00 1.95 -0.24 0.00 0.02 0.00 0.00 54.97 56.70 1jey s GLU 541 Cb -0.02 -3.24 -0.07 0.00 0.10 0.00 0.00 34.13 30.90 1jey s GLU 541 CO 0.00 -0.20 1.37 0.00 0.02 0.00 0.00 175.26 176.45 1jey s ALA 542 N 0.24 3.05 -0.08 5.21 0.00 -1.26 -4.95 121.76 123.98 1jey s ALA 542 Ca 0.56 1.35 0.13 0.00 0.00 0.00 0.00 51.96 54.00 1jey s ALA 542 Cb -0.34 -3.55 -0.19 0.00 0.00 0.00 0.00 23.12 19.03 1jey s ALA 542 CO 0.36 -1.19 0.18 1.63 0.00 0.00 0.00 175.76 176.74 1jey n LYS 543 N -0.52 1.15 -2.73 0.00 4.76 -1.26 -5.04 118.16 114.53 1jey n LYS 543 Ca 0.07 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.30 1jey n LYS 543 Cb 0.44 -1.34 0.01 0.00 -1.84 0.00 0.00 35.03 32.30 1jey n LYS 543 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1jey n LYS 544 N -2.25 0.94 -0.28 1.97 5.02 -1.26 -5.38 118.16 116.93 1jey n LYS 544 Ca -0.12 -2.02 0.00 0.00 -2.02 0.00 0.00 58.31 54.14 1jey n LYS 544 Cb 0.66 0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.80 1jey n LYS 544 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05