#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xje s LYS 2 N 0.00 3.88 0.28 2.12 1.02 -1.26 -2.94 119.74 122.84 1xje s LYS 2 Ca 0.00 1.88 0.02 0.00 0.02 0.00 0.00 55.97 57.88 1xje s LYS 2 Cb 0.00 -2.56 0.59 0.00 -0.52 0.00 0.00 37.83 35.34 1xje s LYS 2 CO 0.00 -0.48 1.81 1.25 -0.92 0.00 0.00 175.35 177.01 1xje h LEU 3 N 2.35 0.82 -1.97 3.17 6.46 -1.86 -1.18 115.31 123.10 1xje h LEU 3 Ca -0.49 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.40 1xje h LEU 3 Cb 1.24 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1xje h LEU 3 CO 0.61 0.39 0.18 0.77 -0.62 0.00 0.00 178.44 179.78 1xje h SER 4 N 0.87 0.03 0.68 1.25 4.64 -1.97 0.23 113.55 119.28 1xje h SER 4 Ca 0.51 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.56 1xje h SER 4 Cb 0.61 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1xje h SER 4 CO -0.31 0.02 -1.36 0.44 -0.87 0.00 0.00 176.83 174.75 1xje h ASP 5 N 0.03 0.13 -0.54 4.97 5.19 -1.60 -2.50 116.42 122.10 1xje h ASP 5 Ca 0.12 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1xje h ASP 5 Cb 0.44 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1xje h ASP 5 CO -0.01 1.15 0.34 0.25 -3.12 0.00 0.00 179.24 177.86 1xje h LEU 6 N 0.02 0.64 -0.57 1.55 5.85 -0.92 -2.61 115.31 119.27 1xje h LEU 6 Ca -0.16 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1xje h LEU 6 Cb 1.92 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.70 1xje h LEU 6 CO 0.13 0.48 0.10 0.40 -0.34 0.00 0.00 178.44 179.21 1xje h ILE 7 N 0.73 0.64 -0.69 4.05 2.04 -0.52 -1.58 117.51 122.18 1xje h ILE 7 Ca 0.20 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 66.07 1xje h ILE 7 Cb -0.05 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1xje h ILE 7 CO -0.04 0.04 0.45 0.28 0.00 0.00 0.00 178.15 178.89 1xje h SER 8 N 0.23 0.52 0.02 1.72 0.02 -1.11 0.12 113.55 115.06 1xje h SER 8 Ca 0.30 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1xje h SER 8 Cb 0.44 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1xje h SER 8 CO -0.40 0.31 -0.11 -0.09 -1.14 0.00 0.00 176.83 175.41 1xje h ARG 9 N 0.57 0.20 0.00 3.45 1.12 -0.93 -3.35 114.38 115.45 1xje h ARG 9 Ca 0.31 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 59.11 1xje h ARG 9 Cb 0.47 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1xje h ARG 9 CO -0.10 0.32 -1.41 0.91 -3.11 0.00 0.00 179.97 176.58 1xje n TRP 10 N -4.31 0.00 0.02 2.20 7.02 -0.45 -4.69 117.44 117.23 1xje n TRP 10 Ca -0.01 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.51 1xje n TRP 10 Cb 0.24 -0.23 0.43 0.00 -2.42 0.00 0.00 31.31 29.33 1xje n TRP 10 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 1xje h ILE 11 N 0.00 1.11 -0.61 -0.99 2.10 -0.95 -0.71 117.51 117.46 1xje h ILE 11 Ca -0.05 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1xje h ILE 11 Cb 0.64 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1xje h ILE 11 CO 0.00 0.11 0.00 0.47 -1.08 0.00 0.00 178.15 177.66 1xje n ASP 12 N -4.46 4.34 -4.66 2.19 8.00 -1.26 -4.50 116.55 116.20 1xje n ASP 12 Ca 0.03 -2.33 -0.43 0.00 0.71 0.00 0.00 54.79 52.76 1xje n ASP 12 Cb 0.08 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1xje n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xje s VAL 13 N -1.62 4.66 0.25 2.53 1.01 -0.27 -5.00 120.40 121.96 1xje s VAL 13 Ca 0.47 2.00 -0.30 0.00 0.00 0.00 0.00 61.98 64.16 1xje s VAL 13 Cb 0.29 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1xje s VAL 13 CO 0.25 -0.20 0.95 -0.70 0.00 0.00 0.00 175.10 175.40 1xje s GLU 14 N 3.24 4.81 0.50 2.72 2.12 -1.26 -4.99 118.70 125.84 1xje s GLU 14 Ca 0.44 1.49 -0.22 0.00 0.36 0.00 0.00 54.97 57.05 1xje s GLU 14 Cb -0.15 -3.22 -0.08 0.00 0.26 0.00 0.00 34.13 30.94 1xje s GLU 14 CO 0.07 0.47 1.00 -2.30 -0.54 0.00 0.00 175.26 173.96 1xje n PRO 15 N 1.36 1.20 -0.70 4.30 -0.02 -1.26 -4.94 135.00 134.94 1xje n PRO 15 Ca -0.01 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.60 1xje n PRO 15 Cb 0.47 -2.13 0.17 0.00 -0.02 0.00 0.00 33.50 32.00 1xje n PRO 15 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xje s SER 16 N -0.94 2.79 0.30 2.55 1.04 -1.26 -4.69 113.70 113.49 1xje s SER 16 Ca 0.68 2.12 0.06 0.00 0.48 0.00 0.00 55.95 59.30 1xje s SER 16 Cb -0.48 -2.54 0.76 0.00 0.10 0.00 0.00 66.02 63.85 1xje s SER 16 CO 0.53 -3.17 1.75 0.11 0.98 0.00 0.00 173.24 173.43 1xje h LYS 17 N -1.92 0.62 -0.47 4.02 1.57 -1.98 0.29 116.57 118.70 1xje h LYS 17 Ca -0.45 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 1xje h LYS 17 Cb 1.27 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1xje h LYS 17 CO 0.43 0.41 -0.01 -0.97 -0.57 0.00 0.00 179.45 178.74 1xje h ASN 18 N 0.63 0.81 -0.20 0.86 -1.24 -1.96 -2.21 115.58 112.28 1xje h ASN 18 Ca 0.58 -0.31 -0.13 0.00 0.71 0.00 0.00 56.30 57.15 1xje h ASN 18 Cb 1.00 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 1xje h ASN 18 CO -0.43 0.92 -0.33 0.00 -1.29 0.00 0.00 177.43 176.31 1xje h ALA 19 N 0.92 0.82 -0.40 1.57 0.00 -1.56 -2.84 119.26 117.77 1xje h ALA 19 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1xje h ALA 19 Cb 0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xje h ALA 19 CO 0.03 0.64 0.08 1.96 0.00 0.00 0.00 179.25 181.96 1xje h GLN 20 N 0.60 0.59 -0.31 0.00 4.20 -0.24 -1.27 115.11 118.67 1xje h GLN 20 Ca 0.06 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1xje h GLN 20 Cb 0.85 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1xje h GLN 20 CO 0.07 0.55 0.03 0.82 -0.67 0.00 0.00 178.83 179.64 1xje h ILE 21 N 0.57 1.24 -0.44 2.54 2.04 -1.29 -0.95 117.51 121.22 1xje h ILE 21 Ca 0.13 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1xje h ILE 21 Cb 0.24 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1xje h ILE 21 CO -0.00 0.28 0.27 0.40 0.00 0.00 0.00 178.15 179.10 1xje h ILE 22 N 0.34 1.07 -0.24 -0.67 2.04 -1.25 0.11 117.51 118.91 1xje h ILE 22 Ca 0.09 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1xje h ILE 22 Cb 0.38 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1xje h ILE 22 CO 0.01 0.10 0.14 -0.07 0.00 0.00 0.00 178.15 178.33 1xje h LEU 23 N 0.55 0.30 -0.71 1.44 3.38 -1.14 -2.24 115.31 116.89 1xje h LEU 23 Ca 0.17 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xje h LEU 23 Cb -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1xje h LEU 23 CO -0.06 0.28 0.36 0.03 0.09 0.00 0.00 178.44 179.14 1xje h ARG 24 N 0.29 1.00 -0.13 1.13 3.08 -0.98 0.15 114.38 118.92 1xje h ARG 24 Ca 0.09 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1xje h ARG 24 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1xje h ARG 24 CO -0.02 0.77 0.09 -0.44 -1.07 0.00 0.00 179.97 179.30 1xje h ASP 25 N 0.98 0.15 0.00 7.04 3.32 -0.58 -3.41 116.42 123.92 1xje h ASP 25 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1xje h ASP 25 Cb 0.08 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1xje h ASP 25 CO -0.04 0.12 -0.02 0.54 -1.72 0.00 0.00 179.24 178.13 1xje n ARG 26 N -4.99 2.57 -0.07 3.56 1.74 -0.86 -4.95 116.66 113.66 1xje n ARG 26 Ca -0.05 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1xje n ARG 26 Cb 0.03 -0.20 -0.08 0.00 -1.02 0.00 0.00 32.46 31.19 1xje n ARG 26 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xje n TYR 27 N -0.37 0.00 -1.81 -1.55 4.02 0.33 -4.93 117.16 112.86 1xje n TYR 27 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1xje n TYR 27 Cb 0.00 -0.59 -0.03 0.00 -0.02 0.00 0.00 39.34 38.70 1xje n TYR 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xje s PHE 28 N -2.30 2.32 0.26 -0.72 0.08 -0.03 -4.79 117.98 112.80 1xje s PHE 28 Ca -0.15 0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.76 1xje s PHE 28 Cb 0.05 -4.08 -0.10 0.00 -0.57 0.00 0.00 43.02 38.32 1xje s PHE 28 CO 0.40 -4.38 1.30 1.41 -0.10 0.00 0.00 175.22 173.85 1xje s MET 29 N 2.59 4.40 0.22 0.44 -2.45 -1.26 -4.87 119.30 118.36 1xje s MET 29 Ca 0.77 2.11 0.09 0.00 -1.25 0.00 0.00 55.69 57.41 1xje s MET 29 Cb -0.43 -3.14 -0.04 0.00 1.25 0.00 0.00 34.83 32.46 1xje s MET 29 CO 0.34 -0.19 -0.08 0.15 1.05 0.00 0.00 175.02 176.30 1xje s LYS 30 N -0.88 2.09 0.92 4.11 1.02 -1.26 -0.70 119.74 125.04 1xje s LYS 30 Ca 0.53 -1.38 -0.12 0.00 0.02 0.00 0.00 55.97 55.02 1xje s LYS 30 Cb -0.38 -2.11 0.20 0.00 -0.52 0.00 0.00 37.83 35.02 1xje s LYS 30 CO 0.44 0.40 1.26 0.16 -0.92 0.00 0.00 175.35 176.69 1xje s ASP 31 N -3.20 3.22 0.44 2.83 1.47 -0.18 -4.87 116.67 116.39 1xje s ASP 31 Ca 0.28 -0.02 0.10 0.00 1.18 0.00 0.00 52.55 54.09 1xje s ASP 31 Cb -0.08 -0.03 0.98 0.00 -0.34 0.00 0.00 42.92 43.46 1xje s ASP 31 CO 0.17 -2.64 2.08 -0.07 0.68 0.00 0.00 175.17 175.39 1xje h LEU 32 N -1.44 0.33 -0.16 2.11 3.38 -2.02 -0.96 115.31 116.56 1xje h LEU 32 Ca -0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1xje h LEU 32 Cb 1.23 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xje h LEU 32 CO 0.34 0.24 -0.04 0.47 0.09 0.00 0.00 178.44 179.54 1xje n ASP 33 N -4.49 0.29 0.00 -0.43 8.00 -1.26 -4.92 116.55 113.74 1xje n ASP 33 Ca 0.02 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.82 1xje n ASP 33 Cb 0.08 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1xje n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xje n GLY 34 N 1.18 0.79 3.76 0.44 0.00 -0.36 -5.06 105.19 105.94 1xje n GLY 34 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1xje n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xje s ASN 35 N -2.32 7.51 0.13 1.61 0.01 -1.26 -4.77 114.94 115.86 1xje s ASN 35 Ca 0.00 1.88 -0.31 0.00 -0.71 0.00 0.00 52.86 53.71 1xje s ASN 35 Cb 0.00 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.98 1xje s ASN 35 CO 0.00 0.09 1.55 -0.31 -1.51 0.00 0.00 177.10 176.92 1xje s TYR 36 N -1.33 2.94 -0.71 2.20 2.02 -1.26 -1.01 117.35 120.21 1xje s TYR 36 Ca 0.44 0.61 0.23 0.00 -0.37 0.00 0.00 57.07 57.98 1xje s TYR 36 Cb -0.23 -3.89 -0.01 0.00 -0.40 0.00 0.00 41.96 37.43 1xje s TYR 36 CO 0.29 -3.33 0.99 1.28 -1.57 0.00 0.00 175.55 173.21 1xje n LEU 37 N 4.37 0.65 -3.99 -1.29 4.77 0.12 -4.90 117.00 116.72 1xje n LEU 37 Ca 0.14 -0.15 -0.17 0.00 -0.03 0.00 0.00 56.01 55.80 1xje n LEU 37 Cb 0.40 -0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.26 1xje n LEU 37 CO 0.61 0.10 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.75 1xje s GLU 38 N -3.15 0.59 0.00 3.23 2.02 -1.19 -4.95 118.70 115.25 1xje s GLU 38 Ca 0.05 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.78 1xje s GLU 38 Cb 0.15 -0.57 0.00 0.00 0.10 0.00 0.00 34.13 33.81 1xje s GLU 38 CO 0.82 0.15 0.15 0.25 0.02 0.00 0.00 175.26 176.65 1xje n THR 39 N 2.92 0.00 -3.90 3.63 -2.24 -1.26 -4.64 114.28 108.79 1xje n THR 39 Ca -0.13 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 1xje n THR 39 Cb 0.57 1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 69.92 1xje n THR 39 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xje s LYS 40 N -0.29 0.58 0.44 -0.78 1.02 -1.26 -5.04 119.74 114.42 1xje s LYS 40 Ca 0.00 -0.66 0.14 0.00 0.02 0.00 0.00 55.97 55.47 1xje s LYS 40 Cb 0.00 0.23 1.04 0.00 -0.52 0.00 0.00 37.83 38.59 1xje s LYS 40 CO 0.00 -0.15 2.01 2.35 -0.92 0.00 0.00 175.35 178.64 1xje h TRP 41 N 3.77 0.39 -1.01 3.18 2.91 -1.99 -0.64 115.95 122.56 1xje h TRP 41 Ca -0.32 0.01 0.19 0.00 1.13 0.00 0.00 58.89 59.90 1xje h TRP 41 Cb 1.19 -0.13 -0.11 0.00 -0.51 0.00 0.00 29.16 29.60 1xje h TRP 41 CO 0.55 0.20 0.61 1.49 -1.03 0.00 0.00 178.44 180.26 1xje h GLU 42 N 0.38 0.75 -0.48 2.65 4.81 -1.96 -1.10 114.58 119.63 1xje h GLU 42 Ca 0.24 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1xje h GLU 42 Cb 0.44 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1xje h GLU 42 CO -0.06 0.50 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.22 1xje h ASP 43 N 0.77 0.88 -0.23 1.04 3.32 -1.53 -1.10 116.42 119.57 1xje h ASP 43 Ca 0.58 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1xje h ASP 43 Cb 0.89 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1xje h ASP 43 CO -0.38 1.01 0.06 0.58 -1.72 0.00 0.00 179.24 178.79 1xje h VAL 44 N 0.73 1.20 -0.79 -1.35 2.07 -1.40 -0.52 116.25 116.19 1xje h VAL 44 Ca 0.13 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1xje h VAL 44 Cb 0.59 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1xje h VAL 44 CO 0.04 0.21 0.46 0.00 0.02 0.00 0.00 177.57 178.30 1xje h ALA 45 N 0.89 1.09 0.13 1.67 0.00 -1.16 -0.53 119.26 121.35 1xje h ALA 45 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xje h ALA 45 Cb 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xje h ALA 45 CO -0.00 0.15 -0.06 -0.09 0.00 0.00 0.00 179.25 179.25 1xje h ARG 46 N 0.83 -0.17 0.09 0.00 9.65 -0.94 -1.52 114.38 122.32 1xje h ARG 46 Ca 0.36 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.24 1xje h ARG 46 Cb 0.23 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1xje h ARG 46 CO -0.20 -0.04 -0.05 -0.09 2.80 0.00 0.00 179.97 182.39 1xje h ARG 47 N -0.26 -0.12 -0.20 0.20 2.43 -0.76 -1.90 114.38 113.77 1xje h ARG 47 Ca -0.02 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1xje h ARG 47 Cb 0.21 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1xje h ARG 47 CO 0.03 -0.08 -0.01 0.28 -1.51 0.00 0.00 179.97 178.68 1xje h VAL 48 N -0.13 1.26 -0.76 0.20 2.07 -1.13 -1.65 116.25 116.11 1xje h VAL 48 Ca -0.01 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.68 1xje h VAL 48 Cb 0.10 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1xje h VAL 48 CO 0.02 0.28 0.42 0.00 0.02 0.00 0.00 177.57 178.31 1xje h ALA 49 N 0.78 1.06 -0.25 1.67 0.00 -1.24 -1.14 119.26 120.14 1xje h ALA 49 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xje h ALA 49 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xje h ALA 49 CO 0.01 0.06 0.02 -0.09 0.00 0.00 0.00 179.25 179.25 1xje h ARG 50 N 0.72 0.43 -0.61 0.00 2.43 -1.13 -0.92 114.38 115.30 1xje h ARG 50 Ca 0.36 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1xje h ARG 50 Cb 0.32 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1xje h ARG 50 CO -0.24 0.58 0.26 0.28 -1.51 0.00 0.00 179.97 179.35 1xje h VAL 51 N 0.22 1.23 -0.00 0.20 2.07 -1.11 -2.45 116.25 116.42 1xje h VAL 51 Ca 0.07 -0.68 -0.22 0.00 0.82 0.00 0.00 66.70 66.70 1xje h VAL 51 Cb 0.37 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1xje h VAL 51 CO 0.01 0.27 -0.91 0.58 0.02 0.00 0.00 177.57 177.53 1xje h VAL 52 N 0.85 1.43 -0.46 2.57 2.07 -1.13 -2.79 116.25 118.78 1xje h VAL 52 Ca 0.21 -2.48 0.11 0.00 0.82 0.00 0.00 66.70 65.35 1xje h VAL 52 Cb 0.17 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1xje h VAL 52 CO -0.02 0.74 0.32 0.00 0.02 0.00 0.00 177.57 178.63 1xje h ALA 53 N 0.81 2.25 0.00 1.67 0.00 -1.06 -2.77 119.26 120.16 1xje h ALA 53 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xje h ALA 53 Cb 1.54 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1xje h ALA 53 CO 0.15 -0.36 -0.01 1.79 0.00 0.00 0.00 179.25 180.82 1xje h THR 54 N 0.14 0.35 -0.61 0.00 1.35 -1.15 -0.59 112.91 112.40 1xje h THR 54 Ca 0.22 -0.06 0.18 0.00 -0.55 0.00 0.00 66.41 66.19 1xje h THR 54 Cb 0.67 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 1xje h THR 54 CO -0.03 0.01 0.46 0.00 -0.25 0.00 0.00 175.52 175.72 1xje h ALA 55 N 1.99 2.53 0.00 6.62 0.00 -1.63 -0.98 119.26 127.78 1xje h ALA 55 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xje h ALA 55 Cb 0.04 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xje h ALA 55 CO 0.00 -0.78 0.00 0.93 0.00 0.00 0.00 179.25 179.41 1xje h GLU 56 N 0.00 0.00 -0.83 0.00 4.39 -1.31 -1.74 114.58 115.08 1xje h GLU 56 Ca 0.29 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.22 1xje h GLU 56 Cb 1.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.82 1xje h GLU 56 CO -0.00 0.00 0.59 -0.07 -1.16 0.00 0.00 179.01 178.37 1xje h LEU 57 N 0.00 0.07 -0.76 1.33 3.38 -1.38 -0.17 115.31 117.78 1xje h LEU 57 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xje h LEU 57 Cb 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xje h LEU 57 CO 0.00 0.03 -0.08 0.18 0.09 0.00 0.00 178.44 178.65 1xje n LEU 58 N -4.33 1.26 -4.64 1.67 4.77 -0.65 -4.92 117.00 110.16 1xje n LEU 58 Ca 0.17 -0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.33 1xje n LEU 58 Cb 0.86 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.87 1xje n LEU 58 CO 0.37 0.22 1.29 0.21 -1.33 0.00 0.00 177.39 178.15 1xje s ASN 59 N -2.18 6.57 0.07 -1.43 3.84 -0.08 -4.89 114.94 116.85 1xje s ASN 59 Ca 0.34 1.69 0.21 0.00 0.21 0.00 0.00 52.86 55.31 1xje s ASN 59 Cb 0.20 -2.53 0.87 0.00 -0.55 0.00 0.00 41.25 39.24 1xje s ASN 59 CO 0.40 -1.08 1.66 -0.81 -2.79 0.00 0.00 177.10 174.48 1xje n PRO 60 N 7.33 0.07 0.05 0.43 -0.04 -1.26 -2.60 135.00 138.97 1xje n PRO 60 Ca 0.17 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1xje n PRO 60 Cb 0.45 -1.61 0.36 0.00 -0.04 0.00 0.00 33.50 32.66 1xje n PRO 60 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xje n SER 61 N -1.73 0.56 -4.71 3.54 3.41 -1.26 -4.77 113.62 108.66 1xje n SER 61 Ca 0.04 0.30 -0.38 0.00 -0.26 0.00 0.00 58.87 58.57 1xje n SER 61 Cb 0.25 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 1xje n SER 61 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xje s TYR 62 N -3.08 3.46 0.28 7.33 4.12 -1.07 -5.06 117.35 123.33 1xje s TYR 62 Ca 0.10 0.79 -0.30 0.00 0.02 0.00 0.00 57.07 57.68 1xje s TYR 62 Cb 0.15 -2.53 -0.10 0.00 -1.52 0.00 0.00 41.96 37.95 1xje s TYR 62 CO 0.64 0.11 1.46 0.15 0.02 0.00 0.00 175.55 177.93 1xje s LYS 63 N 0.85 4.23 0.43 -0.62 1.02 -1.26 -4.88 119.74 119.51 1xje s LYS 63 Ca 0.23 2.38 0.31 0.00 0.02 0.00 0.00 55.97 58.91 1xje s LYS 63 Cb -0.15 -3.07 1.47 0.00 -0.52 0.00 0.00 37.83 35.56 1xje s LYS 63 CO 0.09 -0.45 1.56 1.17 -0.92 0.00 0.00 175.35 176.80 1xje n LYS 64 N 1.99 -0.04 0.20 1.68 0.00 -1.26 0.01 118.16 120.74 1xje n LYS 64 Ca 0.06 1.27 0.08 0.00 0.00 0.00 0.00 58.31 59.72 1xje n LYS 64 Cb 0.40 -2.47 0.32 0.00 0.00 0.00 0.00 35.03 33.28 1xje n LYS 64 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 1xje h ASN 65 N 0.00 0.00 0.13 3.14 7.08 -2.04 -3.20 115.58 120.69 1xje h ASN 65 Ca 0.88 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 54.10 1xje h ASN 65 Cb 2.76 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 39.00 1xje h ASN 65 CO -0.51 0.29 -1.19 -1.84 -2.08 0.00 0.00 177.43 172.10 1xje n GLU 66 N -3.34 0.21 -0.28 4.14 0.28 0.10 -4.64 120.64 117.12 1xje n GLU 66 Ca 0.01 -0.04 0.09 0.00 -0.16 0.00 0.00 57.16 57.06 1xje n GLU 66 Cb 0.52 -1.53 0.24 0.00 1.43 0.00 0.00 31.44 32.10 1xje n GLU 66 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1xje h LYS 67 N 0.00 0.33 -0.21 3.44 1.57 -1.35 -2.41 116.57 117.95 1xje h LYS 67 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xje h LYS 67 Cb 0.66 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1xje h LYS 67 CO 0.00 0.22 0.13 1.25 -0.57 0.00 0.00 179.45 180.48 1xje h LEU 68 N 0.34 0.25 -0.53 2.94 5.85 -1.82 0.20 115.31 122.54 1xje h LEU 68 Ca 0.49 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1xje h LEU 68 Cb 0.87 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1xje h LEU 68 CO -0.52 0.22 0.35 0.44 -0.34 0.00 0.00 178.44 178.59 1xje h ASP 69 N 0.25 0.62 -0.39 1.25 3.32 -1.78 -1.28 116.42 118.41 1xje h ASP 69 Ca 0.07 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1xje h ASP 69 Cb 0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1xje h ASP 69 CO -0.01 0.45 -0.03 0.03 -1.72 0.00 0.00 179.24 177.96 1xje h ARG 70 N 0.72 0.70 -0.37 3.56 2.47 -1.20 -1.84 114.38 118.43 1xje h ARG 70 Ca 0.19 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1xje h ARG 70 Cb -0.07 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 1xje h ARG 70 CO -0.04 0.82 0.21 0.82 0.56 0.00 0.00 179.97 182.33 1xje h ILE 71 N 0.52 1.14 -0.36 2.04 2.04 -0.48 -2.43 117.51 119.98 1xje h ILE 71 Ca 0.11 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1xje h ILE 71 Cb 0.52 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1xje h ILE 71 CO 0.03 0.14 0.04 0.11 0.00 0.00 0.00 178.15 178.47 1xje h LYS 72 N 0.47 0.54 -0.58 2.37 1.57 -1.10 -0.71 116.57 119.14 1xje h LYS 72 Ca 0.13 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1xje h LYS 72 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1xje h LYS 72 CO -0.02 0.54 0.12 0.93 -0.57 0.00 0.00 179.45 180.45 1xje h GLU 73 N 0.53 0.94 -0.35 3.15 5.08 -1.02 -1.00 114.58 121.91 1xje h GLU 73 Ca 0.12 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1xje h GLU 73 Cb 0.27 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xje h GLU 73 CO 0.00 0.88 -0.22 -1.49 -1.00 0.00 0.00 179.01 177.19 1xje h TRP 74 N 0.84 0.89 -0.63 4.33 4.06 -1.06 -1.85 115.95 122.53 1xje h TRP 74 Ca 0.18 -0.23 0.07 0.00 2.06 0.00 0.00 58.89 60.96 1xje h TRP 74 Cb 0.38 -0.20 -0.06 0.00 -1.00 0.00 0.00 29.16 28.28 1xje h TRP 74 CO 0.03 0.98 0.32 1.49 -3.56 0.00 0.00 178.44 177.70 1xje h GLU 75 N 0.54 0.57 -0.21 0.49 4.81 -1.05 0.17 114.58 119.90 1xje h GLU 75 Ca 0.07 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1xje h GLU 75 Cb 0.77 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1xje h GLU 75 CO 0.06 0.38 0.04 0.22 -0.73 0.00 0.00 179.01 178.98 1xje h ASP 76 N 0.59 0.34 -0.29 1.04 3.58 -0.99 0.23 116.42 120.91 1xje h ASP 76 Ca 0.29 -0.25 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 1xje h ASP 76 Cb 0.24 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1xje h ASP 76 CO -0.21 0.50 -0.44 -0.29 -2.88 0.00 0.00 179.24 175.93 1xje h ILE 77 N 0.16 1.28 -0.35 2.25 6.09 -1.10 -1.56 117.51 124.28 1xje h ILE 77 Ca 0.07 -1.62 0.00 0.00 -1.37 0.00 0.00 64.86 61.94 1xje h ILE 77 Cb 0.31 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 39.07 1xje h ILE 77 CO 0.00 0.53 0.23 -0.26 -3.07 0.00 0.00 178.15 175.58 1xje h PHE 78 N 0.68 0.44 -0.81 2.19 0.04 -0.86 -2.25 116.94 116.38 1xje h PHE 78 Ca 0.04 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.84 1xje h PHE 78 Cb 1.02 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.98 1xje h PHE 78 CO 0.06 0.29 0.53 0.35 -0.60 0.00 0.00 178.31 178.94 1xje h PHE 79 N 0.47 1.00 -0.34 -0.55 3.57 -0.28 -1.95 116.94 118.86 1xje h PHE 79 Ca 0.13 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 1xje h PHE 79 Cb -0.04 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.36 1xje h PHE 79 CO -0.05 0.61 -0.40 0.00 -2.23 0.00 0.00 178.31 176.24 1xje h ARG 80 N 1.07 0.87 -0.70 1.11 3.08 -1.06 0.11 114.38 118.87 1xje h ARG 80 Ca 0.31 -0.48 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1xje h ARG 80 Cb -0.08 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1xje h ARG 80 CO -0.08 1.13 0.20 0.28 -1.07 0.00 0.00 179.97 180.42 1xje h VAL 81 N 0.67 1.26 -0.22 2.04 2.07 -1.31 -2.25 116.25 118.51 1xje h VAL 81 Ca 0.05 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 1xje h VAL 81 Cb 1.00 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1xje h VAL 81 CO 0.10 0.36 -0.23 -0.07 0.02 0.00 0.00 177.57 177.74 1xje h LEU 82 N 1.03 0.58 -0.72 2.57 3.38 -1.24 -2.33 115.31 118.58 1xje h LEU 82 Ca 0.22 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1xje h LEU 82 Cb 0.33 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1xje h LEU 82 CO -0.00 0.94 0.16 0.50 0.09 0.00 0.00 178.44 180.13 1xje h LYS 83 N 0.23 1.13 0.00 1.13 3.64 -0.87 -0.86 116.57 120.98 1xje h LYS 83 Ca 0.03 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1xje h LYS 83 Cb 0.78 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1xje h LYS 83 CO 0.06 1.00 0.00 0.00 -2.27 0.00 0.00 179.45 178.24 1xje n ALA 84 N -2.46 1.58 -3.08 5.00 0.00 -0.86 -4.81 120.51 115.88 1xje n ALA 84 Ca 0.05 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 1xje n ALA 84 Cb 0.27 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.42 1xje n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xje n ARG 85 N -2.10 -5.19 0.06 0.00 1.74 -0.33 -4.67 116.66 106.17 1xje n ARG 85 Ca 0.02 0.86 -0.08 0.00 -0.77 0.00 0.00 57.85 57.88 1xje n ARG 85 Cb 0.19 -5.66 -0.12 0.00 -1.02 0.00 0.00 32.46 25.85 1xje n ARG 85 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xje h LEU 86 N -1.54 0.04 -7.47 0.55 3.38 -1.68 -3.42 115.31 105.16 1xje h LEU 86 Ca -0.51 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.21 1xje h LEU 86 Cb 1.35 -0.01 -0.28 0.00 0.09 0.00 0.00 40.66 41.81 1xje h LEU 86 CO 0.54 1.04 -0.52 0.12 0.09 0.00 0.00 178.44 179.71 1xje s PHE 87 N -2.70 -0.23 -0.02 1.13 5.36 -1.25 -0.81 117.98 119.47 1xje s PHE 87 Ca 0.00 0.56 0.01 0.00 -0.96 0.00 0.00 56.93 56.54 1xje s PHE 87 Cb 0.10 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.83 1xje s PHE 87 CO 0.83 -0.14 -0.02 0.42 -1.46 0.00 0.00 175.22 174.84 1xje s ILE 88 N 0.59 0.27 0.79 3.12 1.01 -0.52 -4.27 121.20 122.19 1xje s ILE 88 Ca -0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 1xje s ILE 88 Cb -0.05 -0.31 0.07 0.00 0.01 0.00 0.00 42.46 42.17 1xje s ILE 88 CO -0.03 0.14 1.09 -2.16 0.00 0.00 0.00 174.94 173.98 1xje s PRO 89 N 0.67 2.14 0.60 2.79 0.04 -1.26 -0.84 135.00 139.13 1xje s PRO 89 Ca -0.07 0.82 -0.18 0.00 0.04 0.00 0.00 61.00 61.61 1xje s PRO 89 Cb -0.10 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1xje s PRO 89 CO -0.01 -1.63 0.77 0.27 0.04 0.00 0.00 177.00 176.44 1xje n ASN 90 N -3.47 -0.04 -0.29 6.66 2.04 0.18 -4.76 115.26 115.58 1xje n ASN 90 Ca 0.07 0.76 0.09 0.00 -0.44 0.00 0.00 54.58 55.07 1xje n ASN 90 Cb 0.55 -1.30 0.21 0.00 -2.53 0.00 0.00 39.78 36.71 1xje n ASN 90 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1xje h SER 91 N 0.32 -0.39 -0.53 0.53 0.02 -1.93 -0.92 113.55 110.65 1xje h SER 91 Ca -0.47 0.23 0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1xje h SER 91 Cb 1.38 0.40 -0.03 0.00 0.14 0.00 0.00 62.40 64.29 1xje h SER 91 CO 0.49 -0.24 0.37 -0.65 -1.14 0.00 0.00 176.83 175.65 1xje h PRO 92 N 0.08 0.20 -0.57 3.45 0.11 -1.88 0.31 132.00 133.71 1xje h PRO 92 Ca 0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.55 1xje h PRO 92 Cb 0.92 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1xje h PRO 92 CO -0.77 0.13 0.20 1.15 -0.21 0.00 0.00 178.00 178.51 1xje h THR 93 N 0.21 1.23 -0.32 -1.15 2.02 -1.16 -1.00 112.91 112.74 1xje h THR 93 Ca 0.25 -0.76 -0.12 0.00 0.77 0.00 0.00 66.41 66.55 1xje h THR 93 Cb 0.71 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1xje h THR 93 CO -0.04 0.29 -0.26 -0.07 0.37 0.00 0.00 175.52 175.80 1xje h LEU 94 N 0.79 0.78 -0.41 2.58 3.38 -0.76 -2.34 115.31 119.33 1xje h LEU 94 Ca 0.19 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 1xje h LEU 94 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xje h LEU 94 CO -0.01 1.07 -0.21 -0.26 0.09 0.00 0.00 178.44 179.12 1xje h PHE 95 N 0.51 1.00 -0.00 1.13 0.04 -0.43 -3.39 116.94 115.80 1xje h PHE 95 Ca 0.06 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1xje h PHE 95 Cb 0.82 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1xje h PHE 95 CO 0.07 1.03 -0.39 0.09 -0.60 0.00 0.00 178.31 178.51 1xje n ASN 96 N -4.21 0.56 -4.68 2.17 3.02 -0.39 -4.93 115.26 106.80 1xje n ASN 96 Ca -0.01 -0.78 -0.45 0.00 -0.03 0.00 0.00 54.58 53.31 1xje n ASN 96 Cb 0.44 0.91 -0.04 0.00 -0.61 0.00 0.00 39.78 40.48 1xje n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xje n ALA 97 N -1.04 1.70 -0.17 5.41 0.00 -0.88 -1.99 120.51 123.54 1xje n ALA 97 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1xje n ALA 97 Cb 0.15 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1xje n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xje n GLY 98 N 3.96 0.73 3.72 0.00 0.00 -1.26 -4.88 105.19 107.46 1xje n GLY 98 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1xje n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xje s LEU 99 N 0.00 4.37 0.00 0.99 1.43 -0.84 -1.49 118.68 123.14 1xje s LEU 99 Ca 0.00 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1xje s LEU 99 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1xje s LEU 99 CO 0.00 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.27 1xje n GLY 100 N 3.88 3.26 3.87 -3.19 0.00 -1.26 -1.71 105.19 110.03 1xje n GLY 100 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1xje n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xje s VAL 101 N -2.91 4.95 0.27 1.61 1.01 -0.56 -4.73 120.40 120.04 1xje s VAL 101 Ca 0.00 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1xje s VAL 101 Cb 0.00 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 1xje s VAL 101 CO 0.00 -0.02 1.50 -0.54 0.00 0.00 0.00 175.10 176.04 1xje s LYS 102 N -2.70 4.21 0.59 2.72 1.02 -1.26 -4.87 119.74 119.45 1xje s LYS 102 Ca 0.45 2.42 0.30 0.00 0.02 0.00 0.00 55.97 59.16 1xje s LYS 102 Cb -0.12 -3.07 1.83 0.00 -0.52 0.00 0.00 37.83 35.96 1xje s LYS 102 CO 0.21 -0.50 2.26 0.45 -0.92 0.00 0.00 175.35 176.84 1xje h HIS 103 N 4.89 0.00 0.00 3.18 3.86 -1.95 -1.46 115.15 123.67 1xje h HIS 103 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1xje h HIS 103 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1xje h HIS 103 CO 0.59 0.00 0.00 -0.40 0.86 0.00 0.00 177.93 178.98 1xje n ASP 104 N -3.83 0.00 -0.01 2.45 5.68 -1.26 -3.27 116.55 116.31 1xje n ASP 104 Ca -0.03 0.46 0.09 0.00 -0.50 0.00 0.00 54.79 54.81 1xje n ASP 104 Cb 0.09 -0.48 -0.16 0.00 -1.14 0.00 0.00 41.12 39.42 1xje n ASP 104 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1xje n LEU 105 N -1.48 0.03 0.19 -2.12 4.77 -0.55 -4.26 117.00 113.58 1xje n LEU 105 Ca 0.06 0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.14 1xje n LEU 105 Cb 0.24 0.04 0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1xje n LEU 105 CO 0.20 0.04 0.64 -0.07 -1.33 0.00 0.00 177.39 176.87 1xje h LEU 106 N 0.00 0.00 -1.78 2.23 3.38 -1.60 -3.31 115.31 114.23 1xje h LEU 106 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xje h LEU 106 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xje h LEU 106 CO 0.00 0.14 0.00 0.79 0.09 0.00 0.00 178.44 179.46 1xje n TRP 107 N -3.09 0.00 -1.86 1.13 8.01 -1.26 -3.90 117.44 116.47 1xje n TRP 107 Ca 0.03 -0.22 -0.37 0.00 -1.31 0.00 0.00 57.50 55.62 1xje n TRP 107 Cb 0.59 -0.02 0.04 0.00 -2.01 0.00 0.00 31.31 29.91 1xje n TRP 107 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1xje s LYS 108 N -0.44 2.99 0.39 -0.99 2.20 -1.25 -4.92 119.74 117.72 1xje s LYS 108 Ca 0.00 2.07 -0.27 0.00 -0.36 0.00 0.00 55.97 57.41 1xje s LYS 108 Cb 0.00 -2.09 -0.10 0.00 -1.51 0.00 0.00 37.83 34.13 1xje s LYS 108 CO 0.00 -1.25 1.46 -2.14 -0.36 0.00 0.00 175.35 173.06 1xje s PRO 109 N -3.10 4.02 0.44 4.03 0.02 -1.26 -4.90 135.00 134.25 1xje s PRO 109 Ca 0.75 2.51 0.11 0.00 0.02 0.00 0.00 61.00 64.40 1xje s PRO 109 Cb -0.37 -2.90 0.99 0.00 0.02 0.00 0.00 34.50 32.25 1xje s PRO 109 CO 0.42 -0.58 2.04 0.97 -0.33 0.00 0.00 177.00 179.52 1xje h ILE 110 N 2.81 1.09 0.00 2.83 2.10 -1.98 -1.51 117.51 122.86 1xje h ILE 110 Ca -0.51 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.11 1xje h ILE 110 Cb 1.24 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 1xje h ILE 110 CO 0.63 0.11 0.00 -0.90 -1.08 0.00 0.00 178.15 176.92 1xje n ASP 111 N -4.43 0.51 -0.20 2.19 5.68 -1.26 -1.92 116.55 117.12 1xje n ASP 111 Ca -0.01 0.61 0.11 0.00 -0.50 0.00 0.00 54.79 55.01 1xje n ASP 111 Cb 0.14 -0.72 0.09 0.00 -1.14 0.00 0.00 41.12 39.49 1xje n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xje n GLN 112 N -2.05 0.54 -2.14 0.11 6.02 -0.58 -4.96 117.38 114.32 1xje n GLN 112 Ca 0.03 -0.40 -0.41 0.00 -0.01 0.00 0.00 57.00 56.20 1xje n GLN 112 Cb 0.25 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 1xje n GLN 112 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1xje s MET 113 N -2.74 4.34 0.38 -1.09 -1.94 -0.81 -5.01 119.30 112.44 1xje s MET 113 Ca 0.15 2.14 0.08 0.00 -1.71 0.00 0.00 55.69 56.35 1xje s MET 113 Cb 0.18 -3.17 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1xje s MET 113 CO 0.67 -0.32 0.27 0.95 -0.01 0.00 0.00 175.02 176.58 1xje s THR 114 N 0.14 2.84 0.26 2.05 -4.23 -1.26 -5.02 115.64 110.42 1xje s THR 114 Ca 0.58 -1.50 -0.04 0.00 -1.18 0.00 0.00 61.69 59.56 1xje s THR 114 Cb -0.38 -3.03 0.18 0.00 1.34 0.00 0.00 72.50 70.60 1xje s THR 114 CO 0.39 -0.08 1.84 0.25 -0.54 0.00 0.00 174.62 176.48 1xje h LEU 115 N 1.27 0.93 -1.31 4.79 5.85 -1.95 -2.40 115.31 122.48 1xje h LEU 115 Ca -0.43 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1xje h LEU 115 Cb 1.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1xje h LEU 115 CO 0.61 0.82 0.34 -0.33 -0.34 0.00 0.00 178.44 179.54 1xje h GLU 116 N 0.99 0.81 -0.32 1.25 5.08 -1.99 -1.42 114.58 118.97 1xje h GLU 116 Ca 0.23 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1xje h GLU 116 Cb 0.18 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1xje h GLU 116 CO -0.02 0.58 0.17 -0.44 -1.00 0.00 0.00 179.01 178.30 1xje h ASP 117 N 0.82 0.41 -0.49 1.42 3.32 -1.83 -1.55 116.42 118.52 1xje h ASP 117 Ca 0.21 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1xje h ASP 117 Cb 0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1xje h ASP 117 CO -0.04 0.40 0.01 1.88 -1.72 0.00 0.00 179.24 179.76 1xje h TYR 118 N 0.40 0.98 -0.59 4.55 -1.99 -1.31 -1.13 116.97 117.88 1xje h TYR 118 Ca 0.11 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 1xje h TYR 118 Cb 0.08 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.52 1xje h TYR 118 CO -0.03 0.88 0.35 0.93 -0.00 0.00 0.00 178.16 180.30 1xje h GLU 119 N 0.84 0.79 -0.19 4.88 5.08 -1.09 -1.33 114.58 123.57 1xje h GLU 119 Ca 0.16 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.25 1xje h GLU 119 Cb 0.49 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1xje h GLU 119 CO 0.02 0.56 -0.66 1.49 -1.00 0.00 0.00 179.01 179.42 1xje h GLU 120 N 0.81 0.78 -0.11 2.33 4.81 -0.72 -1.27 114.58 121.21 1xje h GLU 120 Ca 0.21 -0.59 0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1xje h GLU 120 Cb -0.03 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 1xje h GLU 120 CO -0.04 1.21 -0.25 0.82 -0.73 0.00 0.00 179.01 180.01 1xje h ILE 121 N 0.52 0.40 -0.84 2.32 2.04 -1.01 -1.63 117.51 119.31 1xje h ILE 121 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1xje h ILE 121 Cb 1.29 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1xje h ILE 121 CO 0.14 0.00 0.55 0.22 0.00 0.00 0.00 178.15 179.06 1xje h TYR 122 N -0.33 1.05 0.00 1.37 3.20 -1.06 -2.70 116.97 118.50 1xje h TYR 122 Ca 0.09 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 1xje h TYR 122 Cb 0.47 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1xje h TYR 122 CO -0.34 0.66 -0.39 0.00 -1.64 0.00 0.00 178.16 176.45 1xje h ARG 123 N 1.13 0.00 -0.06 1.82 3.08 -1.09 -3.33 114.38 115.93 1xje h ARG 123 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1xje h ARG 123 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1xje h ARG 123 CO -0.07 0.39 0.00 -1.13 -1.07 0.00 0.00 179.97 178.09 1xje n SER 124 N -3.62 2.91 -4.68 7.04 3.41 -0.63 -4.93 113.62 113.12 1xje n SER 124 Ca -0.01 -1.96 -0.55 0.00 -0.26 0.00 0.00 58.87 56.10 1xje n SER 124 Cb 0.50 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1xje n SER 124 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xje n ARG 125 N 1.26 1.32 -2.30 4.33 1.74 -1.21 -3.88 116.66 117.92 1xje n ARG 125 Ca 0.15 0.48 -0.20 0.00 -0.77 0.00 0.00 57.85 57.51 1xje n ARG 125 Cb 0.58 -2.18 0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1xje n ARG 125 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xje n ASN 126 N 4.80 1.17 0.00 0.55 0.23 -0.70 -4.95 115.26 116.37 1xje n ASN 126 Ca 0.24 -1.98 0.06 0.00 -0.53 0.00 0.00 54.58 52.36 1xje n ASN 126 Cb 0.17 -0.55 0.29 0.00 -2.08 0.00 0.00 39.78 37.60 1xje n ASN 126 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xje n HIS 127 N -2.64 0.00 0.35 -2.53 1.44 -1.26 -1.55 115.22 109.03 1xje n HIS 127 Ca 0.14 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.96 1xje n HIS 127 Cb 0.51 -0.35 0.18 0.00 0.12 0.00 0.00 29.99 30.44 1xje n HIS 127 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xje n LEU 128 N -1.35 3.21 -3.47 2.39 4.77 -1.26 -4.72 117.00 116.57 1xje n LEU 128 Ca 0.05 -1.44 -0.40 0.00 -0.03 0.00 0.00 56.01 54.19 1xje n LEU 128 Cb 0.11 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1xje n LEU 128 CO 0.10 0.68 2.99 1.57 -1.33 0.00 0.00 177.39 181.39 1xje n HIS 129 N 1.30 2.72 -3.79 -1.77 -0.00 -0.60 -4.89 115.22 108.20 1xje n HIS 129 Ca 0.17 -3.00 -0.36 0.00 0.46 0.00 0.00 57.72 54.98 1xje n HIS 129 Cb 0.56 -2.36 -0.13 0.00 -0.12 0.00 0.00 29.99 27.94 1xje n HIS 129 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1xje s MET 130 N 1.69 3.46 -0.01 1.57 0.00 -1.25 -1.33 119.30 123.43 1xje s MET 130 Ca 0.60 -0.60 0.03 0.00 0.00 0.00 0.00 55.69 55.73 1xje s MET 130 Cb 0.17 -3.26 0.09 0.00 0.00 0.00 0.00 34.83 31.82 1xje s MET 130 CO -0.07 -0.25 1.07 1.28 0.00 0.00 0.00 175.02 177.05 1xje n LEU 131 N 4.88 2.24 -4.41 4.11 4.77 -1.26 -4.55 117.00 122.78 1xje n LEU 131 Ca -0.16 -2.07 -0.32 0.00 -0.03 0.00 0.00 56.01 53.43 1xje n LEU 131 Cb 0.50 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.37 1xje n LEU 131 CO 0.31 0.56 -0.50 -0.44 -1.33 0.00 0.00 177.39 175.98 1xje s SER 132 N -1.11 3.61 0.13 -1.43 0.01 -1.26 -3.34 113.70 110.31 1xje s SER 132 Ca 0.07 -0.32 0.22 0.00 1.31 0.00 0.00 55.95 57.23 1xje s SER 132 Cb 0.04 -0.62 -0.09 0.00 0.21 0.00 0.00 66.02 65.56 1xje s SER 132 CO 0.04 0.33 0.88 0.00 0.41 0.00 0.00 173.24 174.90 1xje n ALA 133 N 2.33 2.52 -3.41 1.44 0.00 -1.22 -4.63 120.51 117.55 1xje n ALA 133 Ca -0.17 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 1xje n ALA 133 Cb 0.52 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.80 1xje n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xje s PHE 135 N 0.55 0.40 -0.03 0.00 0.40 0.28 -0.86 117.98 118.73 1xje s PHE 135 Ca -0.14 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1xje s PHE 135 Cb -0.17 -0.26 0.00 0.00 0.51 0.00 0.00 43.02 43.11 1xje s PHE 135 CO 0.04 -0.11 -0.10 0.08 0.70 0.00 0.00 175.22 175.83 1xje s VAL 136 N -1.11 0.87 0.07 -0.44 1.01 -0.72 -1.65 120.40 118.42 1xje s VAL 136 Ca -0.10 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1xje s VAL 136 Cb -0.08 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1xje s VAL 136 CO -0.00 0.27 -0.15 0.68 0.00 0.00 0.00 175.10 175.89 1xje s VAL 137 N 0.16 1.22 0.61 2.92 -7.23 -1.05 -1.19 120.40 115.85 1xje s VAL 137 Ca -0.03 -1.25 -0.14 0.00 -1.81 0.00 0.00 61.98 58.76 1xje s VAL 137 Cb -0.09 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 1xje s VAL 137 CO 0.01 -0.12 1.04 -2.16 -0.31 0.00 0.00 175.10 173.56 1xje s PRO 138 N -1.57 3.36 -0.44 4.82 0.04 -1.26 -4.40 135.00 135.55 1xje s PRO 138 Ca 0.01 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.08 1xje s PRO 138 Cb -0.09 -2.05 0.14 0.00 0.04 0.00 0.00 34.50 32.54 1xje s PRO 138 CO 0.02 -0.76 0.24 0.08 0.04 0.00 0.00 177.00 176.62 1xje s VAL 139 N -2.78 1.43 0.81 -0.36 1.01 -1.26 -4.81 120.40 114.43 1xje s VAL 139 Ca 0.60 -2.59 -0.11 0.00 0.00 0.00 0.00 61.98 59.88 1xje s VAL 139 Cb -0.13 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.32 1xje s VAL 139 CO 0.44 -0.90 1.09 -0.83 0.00 0.00 0.00 175.10 174.90 1xje s GLY 140 N 0.31 1.66 -1.13 4.51 0.00 -1.26 -4.48 107.32 106.93 1xje s GLY 140 Ca 0.18 0.20 -0.07 0.00 0.00 0.00 0.00 44.72 45.02 1xje s GLY 140 CO -0.00 0.58 2.92 1.34 0.00 0.00 0.00 173.10 177.94 1xje n ASP 141 N -3.64 7.71 -3.71 1.64 2.03 -1.26 -3.92 116.55 115.41 1xje n ASP 141 Ca 0.09 -2.76 -0.11 0.00 0.52 0.00 0.00 54.79 52.53 1xje n ASP 141 Cb 0.53 -1.45 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 1xje n ASP 141 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xje s SER 142 N 1.50 -0.14 0.18 1.67 1.04 -1.26 -4.94 113.70 111.74 1xje s SER 142 Ca 0.64 -0.32 -0.12 0.00 0.48 0.00 0.00 55.95 56.63 1xje s SER 142 Cb 0.23 0.41 0.09 0.00 0.10 0.00 0.00 66.02 66.85 1xje s SER 142 CO -0.07 -0.75 1.80 0.40 0.98 0.00 0.00 173.24 175.59 1xje h ILE 143 N 2.71 1.19 -0.32 -1.02 1.08 -2.00 0.30 117.51 119.46 1xje h ILE 143 Ca -0.33 -0.47 0.07 0.00 -0.39 0.00 0.00 64.86 63.74 1xje h ILE 143 Cb 1.22 0.40 -0.08 0.00 -3.07 0.00 0.00 36.82 35.30 1xje h ILE 143 CO 0.48 0.21 -0.25 -0.08 -0.69 0.00 0.00 178.15 177.82 1xje h GLU 144 N 0.82 -0.21 -0.19 2.37 4.57 -1.97 -2.22 114.58 117.74 1xje h GLU 144 Ca 0.21 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1xje h GLU 144 Cb 0.03 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1xje h GLU 144 CO -0.04 -0.14 -0.10 0.93 -1.18 0.00 0.00 179.01 178.48 1xje h GLU 145 N -0.22 0.41 -0.21 1.92 5.08 -1.70 -1.41 114.58 118.45 1xje h GLU 145 Ca 0.16 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1xje h GLU 145 Cb 0.48 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1xje h GLU 145 CO -0.45 0.71 -0.18 0.82 -1.00 0.00 0.00 179.01 178.91 1xje h ILE 146 N 0.10 0.51 0.00 3.13 2.04 -0.87 -1.88 117.51 120.54 1xje h ILE 146 Ca 0.04 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 1xje h ILE 146 Cb 0.59 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1xje h ILE 146 CO 0.03 0.00 -0.51 -0.26 0.00 0.00 0.00 178.15 177.41 1xje h PHE 147 N -0.19 0.00 -0.67 1.37 0.04 -1.39 -0.05 116.94 116.04 1xje h PHE 147 Ca 0.13 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 1xje h PHE 147 Cb 0.38 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1xje h PHE 147 CO -0.33 0.51 0.24 1.49 -0.60 0.00 0.00 178.31 179.62 1xje h GLU 148 N 0.00 1.00 -0.18 1.51 4.57 -1.17 -2.09 114.58 118.23 1xje h GLU 148 Ca -0.01 -0.18 -0.15 0.00 -1.18 0.00 0.00 59.36 57.84 1xje h GLU 148 Cb 1.15 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1xje h GLU 148 CO 0.07 0.84 -0.53 0.00 -1.18 0.00 0.00 179.01 178.20 1xje h ALA 149 N 1.28 0.75 -0.45 2.92 0.00 -0.72 0.07 119.26 123.11 1xje h ALA 149 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xje h ALA 149 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xje h ALA 149 CO -0.01 0.68 0.29 0.28 0.00 0.00 0.00 179.25 180.49 1xje h VAL 150 N 0.40 1.12 -0.79 0.00 2.07 -0.91 0.61 116.25 118.75 1xje h VAL 150 Ca 0.01 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1xje h VAL 150 Cb 1.06 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1xje h VAL 150 CO 0.10 0.12 0.49 0.50 0.02 0.00 0.00 177.57 178.80 1xje h LYS 151 N 0.61 0.91 -0.51 1.57 3.64 -1.00 -1.99 116.57 119.80 1xje h LYS 151 Ca 0.16 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1xje h LYS 151 Cb -0.05 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 1xje h LYS 151 CO -0.03 0.61 0.07 0.93 -2.27 0.00 0.00 179.45 178.75 1xje h GLU 152 N 0.94 0.85 -0.54 1.90 5.08 -0.19 -1.26 114.58 121.36 1xje h GLU 152 Ca 0.32 -0.24 0.10 0.00 -1.00 0.00 0.00 59.36 58.55 1xje h GLU 152 Cb 0.06 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 1xje h GLU 152 CO -0.13 0.85 0.05 1.88 -1.00 0.00 0.00 179.01 180.66 1xje h TYR 153 N 0.73 0.07 -0.31 4.33 -1.99 -0.49 -0.98 116.97 118.33 1xje h TYR 153 Ca 0.15 0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.88 1xje h TYR 153 Cb 0.42 0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 1xje h TYR 153 CO 0.03 -0.08 0.03 0.00 -0.00 0.00 0.00 178.16 178.14 1xje h ALA 154 N 1.46 0.41 -0.78 3.88 0.00 -0.84 0.13 119.26 123.52 1xje h ALA 154 Ca 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xje h ALA 154 Cb 0.42 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1xje h ALA 154 CO -0.41 0.12 0.44 -0.07 0.00 0.00 0.00 179.25 179.33 1xje h LEU 155 N 0.33 0.97 -0.23 0.00 3.38 -0.99 -0.46 115.31 118.31 1xje h LEU 155 Ca 0.09 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xje h LEU 155 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xje h LEU 155 CO 0.01 0.78 -0.11 0.40 0.09 0.00 0.00 178.44 179.61 1xje h ILE 156 N 1.08 1.30 -0.27 1.22 2.04 -1.12 -3.17 117.51 118.59 1xje h ILE 156 Ca 0.28 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.99 1xje h ILE 156 Cb 0.01 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1xje h ILE 156 CO -0.05 0.36 0.08 0.74 0.00 0.00 0.00 178.15 179.29 1xje h THR 157 N 0.20 0.92 -0.97 -0.27 2.02 -0.81 -1.06 112.91 112.93 1xje h THR 157 Ca 0.05 -0.07 0.21 0.00 0.77 0.00 0.00 66.41 67.37 1xje h THR 157 Cb 0.60 0.70 -0.11 0.00 -1.74 0.00 0.00 68.15 67.60 1xje h THR 157 CO 0.03 0.04 0.56 0.50 0.37 0.00 0.00 175.52 177.02 1xje h LYS 158 N 0.20 0.63 -0.01 6.66 3.64 -1.08 -2.12 116.57 124.48 1xje h LYS 158 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xje h LYS 158 Cb 0.09 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1xje h LYS 158 CO -0.13 0.41 -0.26 1.33 -2.27 0.00 0.00 179.45 178.53 1xje n VAL 159 N -4.85 0.00 0.00 2.00 0.24 -1.12 -4.14 118.33 110.46 1xje n VAL 159 Ca 0.24 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1xje n VAL 159 Cb 0.62 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1xje n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xje n GLY 160 N 1.34 1.36 3.90 7.63 0.00 -0.80 -4.80 105.19 113.82 1xje n GLY 160 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1xje n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xje s GLY 161 N -2.00 2.11 -0.17 -0.02 0.00 -0.45 -4.84 107.32 101.95 1xje s GLY 161 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 1xje s GLY 161 CO 0.00 -0.54 0.19 -0.32 0.00 0.00 0.00 173.10 172.42 1xje s GLY 162 N -2.65 2.13 -0.02 0.20 0.00 -0.73 -4.24 107.32 102.01 1xje s GLY 162 Ca 0.41 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.56 1xje s GLY 162 CO 0.26 0.13 -0.11 0.54 0.00 0.00 0.00 173.10 173.92 1xje s VAL 163 N 0.08 0.88 0.19 1.40 0.11 -1.04 -0.56 120.40 121.46 1xje s VAL 163 Ca 0.12 -0.45 0.09 0.00 -2.93 0.00 0.00 61.98 58.81 1xje s VAL 163 Cb -0.12 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1xje s VAL 163 CO 0.01 0.26 -0.17 -0.83 -3.33 0.00 0.00 175.10 171.04 1xje s GLY 164 N -0.07 1.45 -0.00 6.54 0.00 -0.66 -1.43 107.32 113.15 1xje s GLY 164 Ca 0.01 -1.58 -0.10 0.00 0.00 0.00 0.00 44.72 43.05 1xje s GLY 164 CO 0.00 -1.65 0.20 -0.56 0.00 0.00 0.00 173.10 171.10 1xje s SER 165 N -2.94 -0.06 -0.21 1.64 0.01 -0.40 -2.52 113.70 109.23 1xje s SER 165 Ca 0.19 -0.10 -0.16 0.00 1.31 0.00 0.00 55.95 57.19 1xje s SER 165 Cb -0.04 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 1xje s SER 165 CO 0.07 -0.40 0.39 0.21 0.41 0.00 0.00 173.24 173.93 1xje s ASN 166 N -1.37 6.41 -0.07 2.44 3.84 -1.26 -1.37 114.94 123.55 1xje s ASN 166 Ca -0.14 0.48 0.17 0.00 0.21 0.00 0.00 52.86 53.57 1xje s ASN 166 Cb -0.07 -2.23 0.60 0.00 -0.55 0.00 0.00 41.25 39.01 1xje s ASN 166 CO 0.03 -0.09 1.49 0.49 -2.79 0.00 0.00 177.10 176.22 1xje n PHE 167 N 4.61 1.16 0.33 0.43 3.01 0.31 -4.41 117.46 122.91 1xje n PHE 167 Ca -0.08 -0.48 0.14 0.00 1.01 0.00 0.00 57.45 58.03 1xje n PHE 167 Cb 0.51 -0.16 0.42 0.00 -0.01 0.00 0.00 39.48 40.24 1xje n PHE 167 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1xje h SER 168 N 3.54 0.00 0.53 4.37 0.02 -1.90 -2.52 113.55 117.58 1xje h SER 168 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1xje h SER 168 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1xje h SER 168 CO 0.15 0.00 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.35 1xje h GLU 169 N 0.00 0.00 -6.53 3.45 4.39 -1.81 -3.44 114.58 110.65 1xje h GLU 169 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1xje h GLU 169 Cb 0.72 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1xje h GLU 169 CO 0.00 0.16 0.62 -0.51 -1.16 0.00 0.00 179.01 178.12 1xje s LEU 170 N -7.15 4.38 0.52 1.33 1.43 -0.95 -4.43 118.68 113.81 1xje s LEU 170 Ca -0.02 2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 55.04 1xje s LEU 170 Cb 0.12 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.69 1xje s LEU 170 CO 0.60 -0.53 1.09 0.00 0.23 0.00 0.00 176.35 177.74 1xje s ARG 171 N 0.94 3.56 0.88 1.70 1.70 -1.26 -4.57 118.95 121.90 1xje s ARG 171 Ca 0.60 1.50 -0.10 0.00 -0.47 0.00 0.00 55.73 57.26 1xje s ARG 171 Cb -0.33 -2.05 0.12 0.00 -0.57 0.00 0.00 34.95 32.13 1xje s ARG 171 CO 0.30 -0.66 1.12 -1.25 -1.08 0.00 0.00 175.30 173.73 1xje s PRO 172 N -3.26 1.36 0.19 3.89 0.04 -1.26 -4.04 135.00 131.91 1xje s PRO 172 Ca 0.70 1.33 -0.32 0.00 0.04 0.00 0.00 61.00 62.76 1xje s PRO 172 Cb -0.20 -1.78 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 1xje s PRO 172 CO 0.24 -2.32 1.74 1.17 0.04 0.00 0.00 177.00 177.86 1xje n LYS 173 N -4.00 2.73 0.00 4.56 4.81 -1.26 -1.63 118.16 123.37 1xje n LYS 173 Ca 0.10 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 1xje n LYS 173 Cb 0.53 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1xje n LYS 173 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xje n GLY 174 N 3.98 2.65 3.70 3.14 0.00 0.08 -4.93 105.19 113.82 1xje n GLY 174 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1xje n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xje s SER 175 N -1.26 3.75 0.22 1.61 0.01 -0.64 -4.31 113.70 113.08 1xje s SER 175 Ca 0.00 2.38 -0.30 0.00 1.31 0.00 0.00 55.95 59.34 1xje s SER 175 Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 1xje s SER 175 CO 0.00 -2.56 1.12 0.12 0.41 0.00 0.00 173.24 172.33 1xje s PHE 176 N -2.08 3.55 -0.39 2.43 2.19 -1.26 -0.55 117.98 121.88 1xje s PHE 176 Ca 0.74 1.61 -0.06 0.00 0.33 0.00 0.00 56.93 59.55 1xje s PHE 176 Cb -0.29 -3.31 0.08 0.00 -1.31 0.00 0.00 43.02 38.18 1xje s PHE 176 CO 0.49 -0.70 0.19 0.08 1.83 0.00 0.00 175.22 177.10 1xje s VAL 177 N -0.61 3.71 0.33 3.12 1.01 -0.58 -4.82 120.40 122.57 1xje s VAL 177 Ca 0.48 -1.55 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1xje s VAL 177 Cb -0.31 -3.31 0.27 0.00 0.00 0.00 0.00 36.38 33.03 1xje s VAL 177 CO 0.38 -0.46 1.98 0.00 0.00 0.00 0.00 175.10 177.00 1xje h ALA 178 N 8.22 1.54 -0.04 5.51 0.00 -1.94 0.22 119.26 132.77 1xje h ALA 178 Ca -0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1xje h ALA 178 Cb 1.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1xje h ALA 178 CO 0.69 0.40 -0.16 0.78 0.00 0.00 0.00 179.25 180.96 1xje h GLY 179 N 0.93 0.07 -0.02 0.00 0.00 -1.97 -3.09 103.07 98.98 1xje h GLY 179 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1xje h GLY 179 CO -0.08 0.04 -0.00 -1.30 0.00 0.00 0.00 176.54 175.20 1xje n THR 180 N -4.32 0.00 -2.66 4.70 -2.24 -0.91 -4.99 114.28 103.87 1xje n THR 180 Ca -0.02 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.09 1xje n THR 180 Cb 0.25 1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1xje n THR 180 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1xje n HIS 181 N -0.08 -1.48 -3.11 4.78 -0.00 0.73 -4.98 115.22 111.09 1xje n HIS 181 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1xje n HIS 181 Cb 0.01 -3.20 0.00 0.00 -0.00 0.00 0.00 29.99 26.80 1xje n HIS 181 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xje n GLY 182 N -0.99 2.45 3.32 -1.41 0.00 -0.88 -4.82 105.19 102.86 1xje n GLY 182 Ca -0.14 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.42 1xje n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xje s LYS 183 N -1.59 3.16 0.52 1.61 -0.14 -1.26 -1.52 119.74 120.51 1xje s LYS 183 Ca 0.00 -0.77 -0.21 0.00 -1.36 0.00 0.00 55.97 53.63 1xje s LYS 183 Cb 0.00 -2.47 -0.06 0.00 -1.68 0.00 0.00 37.83 33.62 1xje s LYS 183 CO 0.00 0.24 1.20 0.00 -0.76 0.00 0.00 175.35 176.02 1xje s ALA 184 N 0.25 2.80 -0.00 5.17 0.00 0.29 -4.73 121.76 125.53 1xje s ALA 184 Ca -0.12 0.99 0.16 0.00 0.00 0.00 0.00 51.96 52.98 1xje s ALA 184 Cb -0.16 -3.42 0.27 0.00 0.00 0.00 0.00 23.12 19.81 1xje s ALA 184 CO 0.06 -0.90 1.54 0.77 0.00 0.00 0.00 175.76 177.24 1xje h SER 185 N 1.53 0.00 -4.62 0.00 0.02 -1.88 0.25 113.55 108.85 1xje h SER 185 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1xje h SER 185 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1xje h SER 185 CO 0.58 0.51 0.00 0.61 -1.14 0.00 0.00 176.83 177.39 1xje n GLY 186 N 0.86 0.31 0.31 -3.77 0.00 -1.26 -4.40 105.19 97.25 1xje n GLY 186 Ca 0.01 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 1xje n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xje h PRO 187 N 0.00 1.05 -0.27 1.61 0.13 -1.81 -3.02 132.00 129.69 1xje h PRO 187 Ca 0.00 -0.11 0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1xje h PRO 187 Cb 0.00 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 30.88 1xje h PRO 187 CO 0.00 0.76 0.02 0.28 -0.23 0.00 0.00 178.00 178.83 1xje h VAL 188 N 1.05 0.83 -0.84 1.56 2.07 -1.95 -0.41 116.25 118.57 1xje h VAL 188 Ca 0.27 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.80 1xje h VAL 188 Cb 0.00 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1xje h VAL 188 CO -0.05 0.02 0.53 0.28 0.02 0.00 0.00 177.57 178.37 1xje h SER 189 N 0.11 0.87 -0.53 0.57 0.02 -1.75 -2.41 113.55 110.43 1xje h SER 189 Ca 0.13 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1xje h SER 189 Cb 0.16 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1xje h SER 189 CO -0.20 0.58 0.17 -0.26 -1.14 0.00 0.00 176.83 175.98 1xje h PHE 190 N 1.01 0.89 -0.36 3.45 0.04 -1.33 -2.79 116.94 117.85 1xje h PHE 190 Ca 0.34 -0.08 0.05 0.00 2.80 0.00 0.00 57.97 61.09 1xje h PHE 190 Cb 0.06 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1xje h PHE 190 CO -0.03 0.73 0.25 0.52 -0.60 0.00 0.00 178.31 179.18 1xje h MET 191 N 0.85 0.26 -0.54 1.51 2.86 -0.59 -1.12 114.93 118.15 1xje h MET 191 Ca 0.19 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1xje h MET 191 Cb 0.27 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1xje h MET 191 CO -0.01 0.17 0.26 0.45 1.06 0.00 0.00 176.91 178.84 1xje h HIS 192 N 0.26 0.74 -0.30 -0.22 3.86 -1.20 -0.81 115.15 117.48 1xje h HIS 192 Ca 0.16 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1xje h HIS 192 Cb 0.30 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1xje h HIS 192 CO -0.00 0.55 -0.25 0.28 0.86 0.00 0.00 177.93 179.36 1xje h VAL 193 N 0.75 1.30 -0.83 2.45 2.07 -1.25 -0.81 116.25 119.93 1xje h VAL 193 Ca 0.19 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.35 1xje h VAL 193 Cb 0.08 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 1xje h VAL 193 CO -0.03 0.45 0.52 -0.26 0.02 0.00 0.00 177.57 178.28 1xje h PHE 194 N 0.46 0.97 -0.56 1.57 0.04 -0.92 -1.68 116.94 116.83 1xje h PHE 194 Ca 0.05 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1xje h PHE 194 Cb 0.82 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 1xje h PHE 194 CO 0.07 0.52 0.25 -0.97 -0.60 0.00 0.00 178.31 177.58 1xje h ASN 195 N 0.98 0.74 -0.71 2.17 -1.24 -1.00 -1.88 115.58 114.65 1xje h ASN 195 Ca 0.35 -0.14 0.02 0.00 0.71 0.00 0.00 56.30 57.24 1xje h ASN 195 Cb 0.09 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 1xje h ASN 195 CO -0.14 0.68 0.45 -1.28 -1.29 0.00 0.00 177.43 175.85 1xje h SER 196 N 0.75 0.76 -0.70 1.15 0.87 -0.83 -0.64 113.55 114.91 1xje h SER 196 Ca 0.19 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1xje h SER 196 Cb 0.15 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 1xje h SER 196 CO -0.02 0.53 0.45 0.00 -0.53 0.00 0.00 176.83 177.26 1xje h ALA 197 N 1.29 0.89 0.00 6.23 0.00 -1.11 -2.89 119.26 123.67 1xje h ALA 197 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xje h ALA 197 Cb -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1xje h ALA 197 CO -0.09 0.33 0.00 0.82 0.00 0.00 0.00 179.25 180.31 1xje h ILE 198 N 0.95 0.00 -0.03 0.00 1.08 -1.02 -2.66 117.51 115.83 1xje h ILE 198 Ca 0.25 -0.85 0.01 0.00 -0.39 0.00 0.00 64.86 63.89 1xje h ILE 198 Cb -0.09 1.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1xje h ILE 198 CO -0.05 0.00 0.10 0.77 -0.69 0.00 0.00 178.15 178.27 1xje h SER 199 N 0.00 0.00 -0.12 1.72 4.64 -0.89 -2.90 113.55 116.00 1xje h SER 199 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xje h SER 199 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1xje h SER 199 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1xje n VAL 200 N -3.24 0.68 -4.59 0.95 0.24 -1.01 -4.98 118.33 106.38 1xje n VAL 200 Ca -0.02 -0.84 -0.23 0.00 -2.04 0.00 0.00 64.34 61.21 1xje n VAL 200 Cb 0.17 0.70 -0.16 0.00 -1.47 0.00 0.00 33.84 33.08 1xje n VAL 200 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1xje s VAL 201 N -0.83 1.09 0.25 3.34 1.01 -1.10 -5.14 120.40 119.03 1xje s VAL 201 Ca 0.10 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1xje s VAL 201 Cb 0.06 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1xje s VAL 201 CO 0.08 0.33 0.62 -1.59 0.00 0.00 0.00 175.10 174.53 1xje s LYS 202 N 0.21 1.63 -1.29 2.72 -2.85 -1.26 -4.39 119.74 114.50 1xje s LYS 202 Ca -0.05 -1.01 -0.10 0.00 -1.00 0.00 0.00 55.97 53.80 1xje s LYS 202 Cb -0.11 0.56 0.15 0.00 -2.06 0.00 0.00 37.83 36.37 1xje s LYS 202 CO 0.02 -0.72 1.88 0.94 0.10 0.00 0.00 175.35 177.56 1xje n GLN 203 N -0.42 3.53 0.00 1.78 7.27 -0.02 -4.53 117.38 124.99 1xje n GLN 203 Ca -0.05 -3.46 0.00 0.00 0.07 0.00 0.00 57.00 53.56 1xje n GLN 203 Cb 0.61 -2.97 0.00 0.00 2.41 0.00 0.00 30.24 30.28 1xje n GLN 203 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xje n GLY 204 N 3.03 1.60 0.00 1.69 0.00 -1.26 -1.04 105.19 109.21 1xje n GLY 204 Ca 0.41 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1xje n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xje n SER 205 N -1.26 0.00 -0.01 1.61 2.88 -1.26 -4.07 113.62 111.50 1xje n SER 205 Ca 0.00 -0.06 -0.12 0.00 -1.33 0.00 0.00 58.87 57.36 1xje n SER 205 Cb 0.00 -0.28 -0.14 0.00 -0.75 0.00 0.00 64.21 63.04 1xje n SER 205 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xje n ARG 206 N -1.28 0.67 -3.20 -1.46 1.74 -0.20 -4.92 116.66 108.01 1xje n ARG 206 Ca 0.11 0.29 0.01 0.00 -0.77 0.00 0.00 57.85 57.49 1xje n ARG 206 Cb 0.19 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 1xje n ARG 206 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xje s ARG 207 N -2.59 0.52 1.01 5.56 6.06 -1.05 -5.04 118.95 123.41 1xje s ARG 207 Ca -0.09 0.77 -0.12 0.00 -2.50 0.00 0.00 55.73 53.79 1xje s ARG 207 Cb 0.08 0.26 0.19 0.00 0.06 0.00 0.00 34.95 35.54 1xje s ARG 207 CO 0.81 -0.74 1.09 -0.98 -2.50 0.00 0.00 175.30 172.98 1xje s ARG 208 N 2.78 0.36 0.62 5.12 1.70 -1.26 -0.84 118.95 127.41 1xje s ARG 208 Ca 0.17 0.52 -0.16 0.00 -0.47 0.00 0.00 55.73 55.79 1xje s ARG 208 Cb -0.14 -1.73 -0.02 0.00 -0.57 0.00 0.00 34.95 32.49 1xje s ARG 208 CO -0.22 -2.78 1.10 0.20 -1.08 0.00 0.00 175.30 172.52 1xje s GLY 209 N -3.42 2.26 -0.10 3.88 0.00 -1.26 -4.85 107.32 103.83 1xje s GLY 209 Ca 0.65 0.57 -0.04 0.00 0.00 0.00 0.00 44.72 45.91 1xje s GLY 209 CO 0.58 0.92 0.20 0.00 0.00 0.00 0.00 173.10 174.80 1xje s ALA 210 N -2.23 -0.36 0.13 3.20 0.00 -1.26 -4.96 121.76 116.28 1xje s ALA 210 Ca 0.67 0.76 0.07 0.00 0.00 0.00 0.00 51.96 53.47 1xje s ALA 210 Cb -0.20 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1xje s ALA 210 CO 0.37 -0.48 -0.16 -0.51 0.00 0.00 0.00 175.76 174.97 1xje s LEU 211 N 2.04 2.40 -0.04 0.00 1.43 -0.23 -2.50 118.68 121.77 1xje s LEU 211 Ca -0.01 -0.81 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 1xje s LEU 211 Cb -0.12 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 1xje s LEU 211 CO -0.07 -0.08 -0.22 -0.32 0.23 0.00 0.00 176.35 175.89 1xje s MET 212 N -2.58 2.14 -0.12 1.70 -2.45 -0.51 -1.21 119.30 116.27 1xje s MET 212 Ca 0.10 -0.79 0.02 0.00 -1.25 0.00 0.00 55.69 53.77 1xje s MET 212 Cb -0.06 -1.88 0.01 0.00 1.25 0.00 0.00 34.83 34.16 1xje s MET 212 CO 0.04 0.36 -0.16 0.20 1.05 0.00 0.00 175.02 176.51 1xje s GLY 213 N -0.18 1.09 -0.01 2.11 0.00 -0.06 -1.27 107.32 109.01 1xje s GLY 213 Ca -0.01 -0.80 0.07 0.00 0.00 0.00 0.00 44.72 43.98 1xje s GLY 213 CO 0.02 0.21 -0.21 -0.42 0.00 0.00 0.00 173.10 172.70 1xje s ILE 214 N 0.99 2.53 -0.02 0.90 1.01 -0.47 -2.17 121.20 123.97 1xje s ILE 214 Ca -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.55 1xje s ILE 214 Cb -0.15 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.36 1xje s ILE 214 CO -0.02 0.50 -0.03 -0.22 0.00 0.00 0.00 174.94 175.17 1xje s LEU 215 N -0.91 1.64 0.33 2.97 0.20 -1.13 -0.53 118.68 121.25 1xje s LEU 215 Ca 0.12 -0.07 -0.26 0.00 0.69 0.00 0.00 54.13 54.61 1xje s LEU 215 Cb -0.10 -0.25 -0.10 0.00 -0.43 0.00 0.00 46.19 45.31 1xje s LEU 215 CO 0.01 -0.01 0.97 0.20 -0.29 0.00 0.00 176.35 177.22 1xje s ASN 216 N 0.40 7.28 0.53 3.68 0.01 -1.26 -0.74 114.94 124.85 1xje s ASN 216 Ca -0.04 1.89 0.32 0.00 -0.71 0.00 0.00 52.86 54.32 1xje s ASN 216 Cb -0.07 -2.58 1.47 0.00 0.41 0.00 0.00 41.25 40.47 1xje s ASN 216 CO -0.01 -0.11 1.87 -0.29 -1.51 0.00 0.00 177.10 177.05 1xje h ILE 217 N 2.61 0.53 -0.65 0.60 6.09 -0.73 -1.16 117.51 124.80 1xje h ILE 217 Ca -0.47 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1xje h ILE 217 Cb 1.20 0.49 0.00 0.00 0.47 0.00 0.00 36.82 38.97 1xje h ILE 217 CO 0.65 0.01 0.00 -0.46 -3.07 0.00 0.00 178.15 175.27 1xje n ASN 218 N -4.27 3.52 -4.75 2.19 6.94 -1.26 -4.87 115.26 112.76 1xje n ASN 218 Ca 0.20 -2.02 -0.41 0.00 -0.02 0.00 0.00 54.58 52.33 1xje n ASN 218 Cb 1.01 -0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 37.94 1xje n ASN 218 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1xje s HIS 219 N -1.18 3.61 0.57 -2.53 2.46 -0.44 -2.01 115.29 115.78 1xje s HIS 219 Ca 0.44 1.68 0.39 0.00 0.47 0.00 0.00 55.06 58.04 1xje s HIS 219 Cb 0.23 -3.26 2.13 0.00 -0.13 0.00 0.00 32.58 31.55 1xje s HIS 219 CO 0.29 -0.51 2.20 -1.35 -2.47 0.00 0.00 174.74 172.90 1xje h PRO 220 N 4.29 0.00 -0.61 2.88 0.11 -1.85 -1.35 132.00 135.48 1xje h PRO 220 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xje h PRO 220 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xje h PRO 220 CO 0.69 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.23 1xje n ASP 221 N -2.94 5.47 -0.31 -2.05 8.00 -1.26 -4.62 116.55 118.84 1xje n ASP 221 Ca -0.03 -2.81 -0.02 0.00 0.71 0.00 0.00 54.79 52.64 1xje n ASP 221 Cb 0.13 -0.66 0.15 0.00 -0.02 0.00 0.00 41.12 40.71 1xje n ASP 221 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xje h ILE 222 N 3.97 1.24 -0.53 0.53 6.09 -1.55 -1.99 117.51 125.28 1xje h ILE 222 Ca 0.00 -0.49 -0.06 0.00 -1.37 0.00 0.00 64.86 62.94 1xje h ILE 222 Cb 1.85 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 39.08 1xje h ILE 222 CO 0.43 0.24 0.10 -0.33 -3.07 0.00 0.00 178.15 175.53 1xje h GLU 223 N 1.23 0.88 -0.85 2.19 5.08 -1.84 0.17 114.58 121.43 1xje h GLU 223 Ca 0.32 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1xje h GLU 223 Cb -0.09 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1xje h GLU 223 CO -0.06 0.85 0.48 1.49 -1.00 0.00 0.00 179.01 180.76 1xje h GLU 224 N 0.77 1.18 0.01 2.33 4.81 -1.84 -2.81 114.58 119.02 1xje h GLU 224 Ca 0.16 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1xje h GLU 224 Cb 0.39 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1xje h GLU 224 CO 0.01 0.86 -0.00 0.35 -0.73 0.00 0.00 179.01 179.49 1xje h PHE 225 N 1.18 -0.01 -0.75 0.92 3.57 -0.97 -1.22 116.94 119.66 1xje h PHE 225 Ca 0.30 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.92 1xje h PHE 225 Cb 0.01 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 1xje h PHE 225 CO 0.00 -0.01 0.50 0.82 -2.23 0.00 0.00 178.31 177.40 1xje h ILE 226 N -0.01 0.87 -0.48 1.41 2.04 -0.87 -1.50 117.51 118.97 1xje h ILE 226 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1xje h ILE 226 Cb 0.01 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1xje h ILE 226 CO 0.00 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.72 1xje n ASP 227 N -4.50 3.01 0.27 1.72 8.00 -1.03 -4.56 116.55 119.46 1xje n ASP 227 Ca 0.13 -1.96 0.11 0.00 0.71 0.00 0.00 54.79 53.79 1xje n ASP 227 Cb 0.42 -0.32 0.74 0.00 -0.02 0.00 0.00 41.12 41.95 1xje n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xje h ALA 228 N 4.18 1.59 -2.07 2.24 0.00 -0.13 -3.20 119.26 121.87 1xje h ALA 228 Ca 0.00 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.18 1xje h ALA 228 Cb 0.79 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 18.20 1xje h ALA 228 CO 0.00 0.08 -0.11 1.63 0.00 0.00 0.00 179.25 180.85 1xje n LYS 229 N -4.02 3.31 -1.00 0.00 4.76 -1.26 -4.87 118.16 115.08 1xje n LYS 229 Ca -0.03 -4.66 -0.02 0.00 -2.87 0.00 0.00 58.31 50.74 1xje n LYS 229 Cb 0.15 -2.34 -0.00 0.00 -1.84 0.00 0.00 35.03 31.00 1xje n LYS 229 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1xje n LYS 230 N 0.86 0.12 0.00 1.97 4.81 -1.21 -4.99 118.16 119.72 1xje n LYS 230 Ca 0.30 -0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1xje n LYS 230 Cb 0.38 0.40 0.00 0.00 0.02 0.00 0.00 35.03 35.82 1xje n LYS 230 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1xje n VAL 237 N -0.14 0.00 -2.35 3.15 0.24 -1.26 -5.08 118.33 112.90 1xje n VAL 237 Ca -0.08 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.15 1xje n VAL 237 Cb 0.45 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.88 1xje n VAL 237 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xje n LEU 238 N 0.00 2.88 0.29 1.34 4.77 -1.26 -4.80 117.00 120.22 1xje n LEU 238 Ca 0.00 -3.64 0.18 0.00 -0.03 0.00 0.00 56.01 52.51 1xje n LEU 238 Cb 0.00 -0.00 0.87 0.00 -2.33 0.00 0.00 43.42 41.96 1xje n LEU 238 CO 0.00 1.41 1.05 -0.55 -1.33 0.00 0.00 177.39 177.97 1xje h ASN 239 N 2.07 0.00 0.53 -1.43 -1.07 -2.00 -1.86 115.58 111.82 1xje h ASN 239 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.42 1xje h ASN 239 Cb 1.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.67 1xje h ASN 239 CO 0.36 0.04 -0.20 0.49 0.07 0.00 0.00 177.43 178.20 1xje n PHE 240 N -3.27 0.00 -3.92 4.14 3.01 -1.26 -4.90 117.46 111.27 1xje n PHE 240 Ca -0.01 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.08 1xje n PHE 240 Cb 0.21 -0.27 -0.07 0.00 -0.01 0.00 0.00 39.48 39.35 1xje n PHE 240 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1xje s PHE 241 N -2.73 3.52 0.12 1.38 0.40 -0.70 -1.07 117.98 118.89 1xje s PHE 241 Ca 0.20 0.45 -0.10 0.00 -0.60 0.00 0.00 56.93 56.89 1xje s PHE 241 Cb 0.19 -1.96 -0.06 0.00 0.51 0.00 0.00 43.02 41.70 1xje s PHE 241 CO 0.55 0.63 0.45 -0.80 0.70 0.00 0.00 175.22 176.75 1xje s ASN 242 N -0.79 6.66 -0.03 1.36 0.01 -0.35 -4.96 114.94 116.84 1xje s ASN 242 Ca 0.14 0.84 0.06 0.00 -0.71 0.00 0.00 52.86 53.19 1xje s ASN 242 Cb -0.12 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 1xje s ASN 242 CO 0.03 0.12 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.76 1xje s LEU 243 N -2.11 2.02 0.04 0.60 1.43 -1.26 -0.88 118.68 118.52 1xje s LEU 243 Ca 0.37 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1xje s LEU 243 Cb -0.14 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1xje s LEU 243 CO 0.19 0.24 -0.09 -0.44 0.23 0.00 0.00 176.35 176.48 1xje s SER 244 N -0.32 1.07 -0.04 2.29 0.01 -0.92 -1.29 113.70 114.50 1xje s SER 244 Ca 0.03 -0.45 -0.27 0.00 1.31 0.00 0.00 55.95 56.57 1xje s SER 244 Cb -0.10 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 1xje s SER 244 CO 0.01 -0.09 0.87 -0.69 0.41 0.00 0.00 173.24 173.76 1xje s VAL 245 N -1.00 4.93 0.01 3.43 1.01 0.37 -2.85 120.40 126.30 1xje s VAL 245 Ca -0.04 1.81 -0.23 0.00 0.00 0.00 0.00 61.98 63.52 1xje s VAL 245 Cb -0.08 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1xje s VAL 245 CO 0.01 0.17 0.69 -0.83 0.00 0.00 0.00 175.10 175.14 1xje s GLY 246 N 0.95 2.70 -0.54 4.51 0.00 0.09 -0.47 107.32 114.56 1xje s GLY 246 Ca 0.46 0.17 0.04 0.00 0.00 0.00 0.00 44.72 45.38 1xje s GLY 246 CO 0.23 0.97 0.30 -1.36 0.00 0.00 0.00 173.10 173.24 1xje s PHE 247 N -0.02 2.97 0.22 1.90 0.08 -0.11 0.05 117.98 123.07 1xje s PHE 247 Ca 0.35 -3.04 0.22 0.00 0.12 0.00 0.00 56.93 54.58 1xje s PHE 247 Cb -0.19 -2.57 0.93 0.00 -0.57 0.00 0.00 43.02 40.62 1xje s PHE 247 CO 0.20 -0.71 1.84 -1.00 -0.10 0.00 0.00 175.22 175.45 1xje h PRO 248 N 6.30 0.00 -7.43 0.24 0.14 -1.91 -1.66 132.00 127.67 1xje h PRO 248 Ca -0.01 0.00 -0.48 0.00 0.14 0.00 0.00 66.00 65.64 1xje h PRO 248 Cb 0.87 0.00 0.11 0.00 0.14 0.00 0.00 31.00 32.12 1xje h PRO 248 CO 0.65 0.27 0.34 0.00 0.14 0.00 0.00 178.00 179.40 1xje s MET 249 N -3.79 2.07 0.34 0.86 0.23 -1.26 -3.22 119.30 114.53 1xje s MET 249 Ca -0.01 0.57 -0.28 0.00 -1.03 0.00 0.00 55.69 54.94 1xje s MET 249 Cb 0.11 -1.92 -0.12 0.00 -1.53 0.00 0.00 34.83 31.37 1xje s MET 249 CO 0.65 -1.62 1.31 -0.25 -2.03 0.00 0.00 175.02 173.08 1xje n ASP 250 N -3.42 2.83 -0.15 -1.18 9.92 -1.26 -4.12 116.55 119.17 1xje n ASP 250 Ca 0.07 1.20 0.10 0.00 -0.53 0.00 0.00 54.79 55.64 1xje n ASP 250 Cb 0.57 -1.49 0.43 0.00 -0.64 0.00 0.00 41.12 39.99 1xje n ASP 250 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1xje h LYS 251 N 2.70 0.55 -0.50 -1.24 1.57 -1.91 -2.53 116.57 115.21 1xje h LYS 251 Ca -0.46 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 1xje h LYS 251 Cb 1.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1xje h LYS 251 CO 0.64 0.36 -0.13 0.87 -0.57 0.00 0.00 179.45 180.62 1xje h LYS 252 N 0.57 0.95 -0.54 3.15 1.57 -1.90 -0.57 116.57 119.79 1xje h LYS 252 Ca 0.32 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1xje h LYS 252 Cb 0.51 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1xje h LYS 252 CO -0.11 1.02 0.01 1.49 -0.57 0.00 0.00 179.45 181.29 1xje h GLU 253 N 0.85 0.96 -0.09 3.15 4.81 -1.84 -0.92 114.58 121.49 1xje h GLU 253 Ca 0.13 -0.30 -0.18 0.00 -0.13 0.00 0.00 59.36 58.88 1xje h GLU 253 Cb 0.68 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1xje h GLU 253 CO 0.05 0.96 -0.70 0.82 -0.73 0.00 0.00 179.01 179.41 1xje h ILE 254 N 0.83 1.37 -0.60 2.32 1.08 -1.37 -1.53 117.51 119.62 1xje h ILE 254 Ca 0.15 -2.09 -0.08 0.00 -0.39 0.00 0.00 64.86 62.46 1xje h ILE 254 Cb 0.53 2.06 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 1xje h ILE 254 CO 0.03 0.63 0.07 0.25 -0.69 0.00 0.00 178.15 178.44 1xje h LEU 255 N 0.29 0.97 -0.34 1.44 5.85 -0.99 -2.15 115.31 120.38 1xje h LEU 255 Ca -0.02 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1xje h LEU 255 Cb 1.27 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1xje h LEU 255 CO 0.12 1.00 0.13 0.50 -0.34 0.00 0.00 178.44 179.85 1xje h LYS 256 N 0.91 0.51 -0.87 1.25 3.64 -1.11 -1.36 116.57 119.54 1xje h LYS 256 Ca 0.18 -0.09 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1xje h LYS 256 Cb 0.46 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 1xje h LYS 256 CO 0.02 0.51 0.50 1.25 -2.27 0.00 0.00 179.45 179.45 1xje h LEU 257 N 0.39 0.70 -0.38 5.20 6.46 -1.23 -0.66 115.31 125.80 1xje h LEU 257 Ca 0.11 0.06 -0.13 0.00 -0.12 0.00 0.00 57.88 57.80 1xje h LEU 257 Cb 0.19 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1xje h LEU 257 CO -0.01 0.37 -0.28 0.22 -0.62 0.00 0.00 178.44 178.12 1xje h TYR 258 N 0.80 1.01 0.00 1.25 5.03 -1.06 0.14 116.97 124.14 1xje h TYR 258 Ca 0.43 -0.28 -0.11 0.00 2.58 0.00 0.00 58.73 61.35 1xje h TYR 258 Cb 0.45 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 1xje h TYR 258 CO -0.06 1.07 -0.53 0.93 -1.32 0.00 0.00 178.16 178.25 1xje h GLU 259 N 0.66 0.00 -0.39 1.82 5.08 -0.69 -2.20 114.58 118.86 1xje h GLU 259 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1xje h GLU 259 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1xje h GLU 259 CO 0.08 0.53 0.00 0.39 -1.00 0.00 0.00 179.01 179.01 1xje n GLU 260 N -3.75 2.04 -3.88 2.33 1.02 -0.30 -4.94 120.64 113.15 1xje n GLU 260 Ca -0.01 -1.61 -0.31 0.00 -0.02 0.00 0.00 57.16 55.22 1xje n GLU 260 Cb 0.57 -1.39 0.01 0.00 -0.02 0.00 0.00 31.44 30.61 1xje n GLU 260 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xje n ASP 261 N 0.81 -4.30 -3.75 1.62 4.64 -0.83 -4.95 116.55 109.79 1xje n ASP 261 Ca 0.16 -0.76 -0.30 0.00 -1.38 0.00 0.00 54.79 52.51 1xje n ASP 261 Cb 0.40 -3.47 0.23 0.00 -1.04 0.00 0.00 41.12 37.24 1xje n ASP 261 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1xje s GLY 262 N -3.17 1.70 0.03 0.27 0.00 0.45 -4.89 107.32 101.71 1xje s GLY 262 Ca 0.64 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 44.20 1xje s GLY 262 CO 0.79 -0.30 -0.09 -0.54 0.00 0.00 0.00 173.10 172.95 1xje s GLU 263 N -5.72 2.39 -0.13 2.90 2.02 -1.26 -2.26 118.70 116.63 1xje s GLU 263 Ca 0.74 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1xje s GLU 263 Cb -0.05 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.76 1xje s GLU 263 CO 0.55 0.57 -0.15 -1.17 0.02 0.00 0.00 175.26 175.08 1xje s LEU 264 N -1.61 2.61 -0.37 1.80 2.96 0.84 -4.86 118.68 120.05 1xje s LEU 264 Ca 0.18 -0.38 -0.28 0.00 -0.22 0.00 0.00 54.13 53.43 1xje s LEU 264 Cb -0.11 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1xje s LEU 264 CO 0.09 0.15 1.03 -0.70 -1.32 0.00 0.00 176.35 175.59 1xje s GLU 265 N 0.45 3.90 -0.34 1.98 2.56 -1.26 -1.91 118.70 124.08 1xje s GLU 265 Ca -0.11 0.75 -0.24 0.00 0.00 0.00 0.00 54.97 55.37 1xje s GLU 265 Cb -0.16 -3.80 0.01 0.00 2.00 0.00 0.00 34.13 32.18 1xje s GLU 265 CO 0.05 -1.03 0.85 -0.51 -0.56 0.00 0.00 175.26 174.06 1xje s LEU 266 N 3.75 4.06 0.22 2.70 1.43 0.36 -4.85 118.68 126.35 1xje s LEU 266 Ca 0.43 0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 54.03 1xje s LEU 266 Cb -0.11 -3.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 1xje s LEU 266 CO 0.20 -0.73 0.36 -0.94 0.23 0.00 0.00 176.35 175.47 1xje s SER 267 N 1.75 -0.02 -0.11 2.29 1.04 -0.85 -1.81 113.70 115.99 1xje s SER 267 Ca 0.35 -1.00 -0.10 0.00 0.48 0.00 0.00 55.95 55.68 1xje s SER 267 Cb -0.13 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.53 1xje s SER 267 CO 0.15 -1.02 0.30 -2.28 0.98 0.00 0.00 173.24 171.38 1xje s HIS 268 N -4.03 -0.34 0.56 5.02 2.46 -1.26 -4.34 115.29 113.37 1xje s HIS 268 Ca 0.24 0.82 0.40 0.00 0.47 0.00 0.00 55.06 57.00 1xje s HIS 268 Cb 0.02 0.11 2.20 0.00 -0.13 0.00 0.00 32.58 34.79 1xje s HIS 268 CO 0.07 -0.17 2.24 -1.00 -2.47 0.00 0.00 174.74 173.41 1xje h PRO 269 N 5.82 0.00 -0.25 2.88 0.13 -1.96 -2.77 132.00 135.85 1xje h PRO 269 Ca -0.27 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.65 1xje h PRO 269 Cb 1.19 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.09 1xje h PRO 269 CO 0.32 0.00 -0.75 0.54 -0.23 0.00 0.00 178.00 177.88 1xje n ARG 270 N -2.95 1.87 -3.92 0.86 1.74 -1.26 -5.01 116.66 107.99 1xje n ARG 270 Ca -0.03 -3.33 -0.10 0.00 -0.77 0.00 0.00 57.85 53.62 1xje n ARG 270 Cb 0.10 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 1xje n ARG 270 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xje s SER 271 N -3.18 0.14 0.12 0.55 0.15 -1.05 -4.70 113.70 105.73 1xje s SER 271 Ca 0.40 -0.39 0.24 0.00 0.70 0.00 0.00 55.95 56.89 1xje s SER 271 Cb 0.38 0.18 0.35 0.00 -1.71 0.00 0.00 66.02 65.22 1xje s SER 271 CO -0.05 -0.39 1.32 0.35 1.20 0.00 0.00 173.24 175.67 1xje n THR 272 N 1.30 0.35 -1.79 6.45 -2.24 -1.26 -4.62 114.28 112.48 1xje n THR 272 Ca -0.22 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 1xje n THR 272 Cb 0.56 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1xje n THR 272 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xje s ILE 273 N -3.17 3.24 0.12 2.28 1.01 -1.26 -4.98 121.20 118.45 1xje s ILE 273 Ca 0.06 0.27 0.04 0.00 0.00 0.00 0.00 60.65 61.03 1xje s ILE 273 Cb 0.13 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1xje s ILE 273 CO 0.72 -0.08 -0.11 -0.13 0.00 0.00 0.00 174.94 175.35 1xje s ARG 274 N 4.97 0.96 -0.16 2.79 0.52 -1.26 -4.14 118.95 122.64 1xje s ARG 274 Ca 0.86 -1.31 -0.31 0.00 -0.52 0.00 0.00 55.73 54.45 1xje s ARG 274 Cb -0.35 -0.61 0.14 0.00 0.52 0.00 0.00 34.95 34.65 1xje s ARG 274 CO 0.36 0.09 1.09 0.21 0.02 0.00 0.00 175.30 177.06 1xje s LYS 275 N -3.24 0.48 -0.03 3.54 2.20 -0.75 -5.00 119.74 116.94 1xje s LYS 275 Ca 0.11 -0.04 0.07 0.00 -0.36 0.00 0.00 55.97 55.76 1xje s LYS 275 Cb -0.00 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1xje s LYS 275 CO 0.00 -0.18 -0.25 0.15 -0.36 0.00 0.00 175.35 174.72 1xje s LYS 276 N -1.86 2.21 0.01 4.03 1.02 -1.26 -0.49 119.74 123.40 1xje s LYS 276 Ca 0.04 -0.89 -0.00 0.00 0.02 0.00 0.00 55.97 55.14 1xje s LYS 276 Cb -0.01 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1xje s LYS 276 CO -0.04 0.47 -0.01 0.08 -0.92 0.00 0.00 175.35 174.93 1xje s VAL 277 N -0.41 0.06 -0.06 3.17 1.01 -0.80 -4.98 120.40 118.38 1xje s VAL 277 Ca 0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1xje s VAL 277 Cb -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1xje s VAL 277 CO 0.01 -0.26 1.42 -0.54 0.00 0.00 0.00 175.10 175.74 1xje s LYS 278 N -0.75 4.24 0.38 2.72 -0.14 -1.26 -0.11 119.74 124.82 1xje s LYS 278 Ca -0.08 1.93 0.12 0.00 -1.36 0.00 0.00 55.97 56.58 1xje s LYS 278 Cb -0.05 -3.74 0.92 0.00 -1.68 0.00 0.00 37.83 33.28 1xje s LYS 278 CO -0.00 -0.68 1.86 0.97 -0.76 0.00 0.00 175.35 176.74 1xje h ILE 279 N 5.25 0.77 -0.66 2.17 6.09 -1.78 -0.30 117.51 129.05 1xje h ILE 279 Ca -0.35 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 1xje h ILE 279 Cb 1.16 0.14 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 1xje h ILE 279 CO 0.93 0.11 0.42 0.03 -3.07 0.00 0.00 178.15 176.57 1xje h ARG 280 N 0.58 0.88 -0.18 2.19 3.08 -1.89 -0.64 114.38 118.39 1xje h ARG 280 Ca 0.46 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.39 1xje h ARG 280 Cb 0.89 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1xje h ARG 280 CO -0.20 0.60 -0.10 0.93 -1.07 0.00 0.00 179.97 180.12 1xje h GLU 281 N 0.90 0.39 0.16 0.04 5.08 -1.46 -0.64 114.58 119.06 1xje h GLU 281 Ca 0.24 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1xje h GLU 281 Cb -0.08 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1xje h GLU 281 CO -0.05 0.70 -0.18 1.25 -1.00 0.00 0.00 179.01 179.73 1xje h LEU 282 N 0.06 -0.49 -0.85 1.33 5.85 -1.27 -0.88 115.31 119.06 1xje h LEU 282 Ca 0.04 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.91 1xje h LEU 282 Cb 0.59 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 1xje h LEU 282 CO 0.03 -0.27 0.49 -0.26 -0.34 0.00 0.00 178.44 178.09 1xje h PHE 283 N -0.39 0.88 -0.17 1.25 0.05 -1.10 -0.28 116.94 117.18 1xje h PHE 283 Ca 0.01 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.76 1xje h PHE 283 Cb 0.37 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 1xje h PHE 283 CO -0.15 0.34 -0.21 -0.09 -0.18 0.00 0.00 178.31 178.01 1xje h ARG 284 N 0.79 0.29 -0.23 1.51 2.43 -0.56 -0.06 114.38 118.56 1xje h ARG 284 Ca 0.42 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1xje h ARG 284 Cb 0.42 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1xje h ARG 284 CO -0.27 0.50 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.38 1xje h LYS 285 N 0.27 0.47 0.13 0.20 3.64 0.31 -0.53 116.57 121.06 1xje h LYS 285 Ca 0.05 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1xje h LYS 285 Cb 0.53 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1xje h LYS 285 CO 0.04 0.73 -0.19 0.82 -2.27 0.00 0.00 179.45 178.58 1xje h ILE 286 N 0.19 0.58 -0.25 2.00 2.04 -1.06 -2.22 117.51 118.78 1xje h ILE 286 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1xje h ILE 286 Cb 0.57 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1xje h ILE 286 CO 0.03 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.26 1xje h ALA 287 N 0.44 1.68 -0.27 1.87 0.00 -0.92 -0.98 119.26 121.07 1xje h ALA 287 Ca 0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1xje h ALA 287 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xje h ALA 287 CO -0.09 0.25 -0.13 1.15 0.00 0.00 0.00 179.25 180.44 1xje h THR 288 N 0.35 1.30 -0.38 0.00 2.02 -0.81 -1.34 112.91 114.04 1xje h THR 288 Ca 0.09 -1.21 -0.14 0.00 0.77 0.00 0.00 66.41 65.92 1xje h THR 288 Cb 0.10 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1xje h THR 288 CO -0.01 0.38 -0.31 -1.13 0.37 0.00 0.00 175.52 174.83 1xje h ASN 289 N 0.30 0.93 -0.67 4.18 -0.73 -0.87 -2.58 115.58 116.15 1xje h ASN 289 Ca 0.06 -0.45 -0.00 0.00 1.87 0.00 0.00 56.30 57.78 1xje h ASN 289 Cb 0.64 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.94 1xje h ASN 289 CO 0.04 1.18 0.41 0.00 -0.37 0.00 0.00 177.43 178.69 1xje h ALA 290 N 0.78 0.85 -0.85 1.57 0.00 -0.79 0.88 119.26 121.70 1xje h ALA 290 Ca 0.07 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xje h ALA 290 Cb 0.89 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1xje h ALA 290 CO 0.08 0.31 0.55 2.35 0.00 0.00 0.00 179.25 182.54 1xje h TRP 291 N 0.91 0.97 0.02 0.00 7.01 -1.11 0.21 115.95 123.95 1xje h TRP 291 Ca 0.24 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.15 1xje h TRP 291 Cb -0.05 -0.32 0.01 0.00 -2.10 0.00 0.00 29.16 26.70 1xje h TRP 291 CO -0.02 0.52 -0.47 0.87 -2.79 0.00 0.00 178.44 176.56 1xje h LYS 292 N 0.97 0.29 0.00 2.65 1.57 -1.00 -3.44 116.57 117.61 1xje h LYS 292 Ca 0.36 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xje h LYS 292 Cb 0.17 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xje h LYS 292 CO -0.12 1.05 0.00 -1.13 -0.57 0.00 0.00 179.45 178.67 1xje n SER 293 N -4.33 0.05 0.00 0.86 3.41 0.25 -4.23 113.62 109.63 1xje n SER 293 Ca -0.11 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1xje n SER 293 Cb 0.62 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1xje n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xje n GLY 294 N 0.11 2.14 3.55 5.00 0.00 0.71 -4.90 105.19 111.80 1xje n GLY 294 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xje n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xje s ASP 295 N -2.73 4.10 0.41 1.61 1.01 -1.26 -4.51 116.67 115.31 1xje s ASP 295 Ca 0.00 -0.71 -0.04 0.00 0.71 0.00 0.00 52.55 52.50 1xje s ASP 295 Cb 0.00 -0.62 -0.04 0.00 1.01 0.00 0.00 42.92 43.27 1xje s ASP 295 CO 0.00 0.07 0.69 -2.16 0.21 0.00 0.00 175.17 173.98 1xje s PRO 296 N -3.15 3.57 0.56 8.23 0.04 -1.26 -2.33 135.00 140.67 1xje s PRO 296 Ca 0.27 0.08 -0.08 0.00 0.04 0.00 0.00 61.00 61.31 1xje s PRO 296 Cb -0.07 -2.48 0.13 0.00 0.04 0.00 0.00 34.50 32.11 1xje s PRO 296 CO 0.16 -0.04 0.76 0.41 0.04 0.00 0.00 177.00 178.33 1xje n GLY 297 N -1.84 -0.88 3.44 0.56 0.00 -0.41 -4.76 105.19 101.29 1xje n GLY 297 Ca -0.01 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1xje n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xje s LEU 298 N 0.00 2.76 -0.29 0.99 1.43 -0.56 -0.47 118.68 122.54 1xje s LEU 298 Ca 0.45 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1xje s LEU 298 Cb -0.01 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.67 1xje s LEU 298 CO 0.31 0.26 -0.04 0.00 0.23 0.00 0.00 176.35 177.12 1xje s ALA 299 N -0.24 2.72 -1.34 4.21 0.00 0.38 -0.96 121.76 126.54 1xje s ALA 299 Ca 0.01 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.00 1xje s ALA 299 Cb -0.13 -1.80 0.10 0.00 0.00 0.00 0.00 23.12 21.29 1xje s ALA 299 CO 0.03 -1.28 1.90 1.19 0.00 0.00 0.00 175.76 177.60 1xje n PHE 300 N 4.52 3.87 -0.15 0.00 3.72 -0.26 -0.93 117.46 128.23 1xje n PHE 300 Ca -0.12 -2.96 -0.03 0.00 -0.05 0.00 0.00 57.45 54.29 1xje n PHE 300 Cb 0.43 -2.36 0.18 0.00 -0.94 0.00 0.00 39.48 36.79 1xje n PHE 300 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xje h LEU 301 N 10.00 0.81 -0.50 4.37 3.38 -1.68 -1.46 115.31 130.22 1xje h LEU 301 Ca 0.46 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.34 1xje h LEU 301 Cb 0.73 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1xje h LEU 301 CO 1.62 0.77 0.23 1.23 0.09 0.00 0.00 178.44 182.39 1xje h GLY 302 N 0.98 0.70 1.74 0.83 0.00 -1.29 -1.28 103.07 104.75 1xje h GLY 302 Ca 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1xje h GLY 302 CO -0.01 0.08 -0.13 -2.09 0.00 0.00 0.00 176.54 174.39 1xje h GLU 303 N 0.45 0.32 -0.19 4.80 4.57 -1.53 -1.46 114.58 121.53 1xje h GLU 303 Ca 0.23 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1xje h GLU 303 Cb 0.17 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1xje h GLU 303 CO -0.18 0.45 -0.02 0.52 -1.18 0.00 0.00 179.01 178.60 1xje h MET 304 N 0.30 0.35 -0.17 1.92 2.86 -1.01 -3.18 114.93 116.01 1xje h MET 304 Ca 0.06 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1xje h MET 304 Cb 0.41 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1xje h MET 304 CO 0.02 0.58 -0.27 -0.91 1.06 0.00 0.00 176.91 177.39 1xje h ASN 305 N 0.09 0.31 -0.98 1.22 2.35 -0.88 -1.72 115.58 115.98 1xje h ASN 305 Ca 0.05 -0.10 0.26 0.00 -0.55 0.00 0.00 56.30 55.96 1xje h ASN 305 Cb 0.43 -0.09 -0.13 0.00 0.05 0.00 0.00 38.32 38.59 1xje h ASN 305 CO 0.01 0.59 0.54 0.50 -1.65 0.00 0.00 177.43 177.42 1xje h LYS 306 N 0.28 0.45 -0.46 0.81 3.64 -1.26 -1.89 116.57 118.15 1xje h LYS 306 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xje h LYS 306 Cb 0.63 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1xje h LYS 306 CO 0.05 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 178.18 1xje n TYR 307 N -4.97 0.75 -2.91 1.91 4.01 -0.94 -4.96 117.16 110.05 1xje n TYR 307 Ca 0.27 -0.55 -0.42 0.00 -0.16 0.00 0.00 57.90 57.04 1xje n TYR 307 Cb 0.79 -0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 39.70 1xje n TYR 307 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1xje s TYR 308 N -1.29 3.23 -0.06 -0.72 5.04 -0.69 -4.70 117.35 118.15 1xje s TYR 308 Ca 0.34 0.94 0.29 0.00 -2.44 0.00 0.00 57.07 56.20 1xje s TYR 308 Cb 0.20 -3.20 1.39 0.00 0.35 0.00 0.00 41.96 40.71 1xje s TYR 308 CO 0.20 -0.53 1.88 -1.35 -1.34 0.00 0.00 175.55 174.41 1xje h PRO 309 N 7.98 0.00 -0.58 4.97 0.11 -1.87 -2.52 132.00 140.09 1xje h PRO 309 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1xje h PRO 309 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xje h PRO 309 CO 0.89 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.96 1xje n LEU 310 N -2.58 3.58 -4.81 2.35 4.77 -1.26 -0.83 117.00 118.22 1xje n LEU 310 Ca -0.00 -2.02 -0.36 0.00 -0.03 0.00 0.00 56.01 53.59 1xje n LEU 310 Cb 0.16 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1xje n LEU 310 CO 0.18 0.88 0.43 -0.47 -1.33 0.00 0.00 177.39 177.08 1xje s TYR 311 N -1.04 3.66 -2.19 -1.77 5.04 -0.95 -0.79 117.35 119.31 1xje s TYR 311 Ca 0.39 1.41 0.21 0.00 -2.44 0.00 0.00 57.07 56.65 1xje s TYR 311 Cb 0.21 -2.63 0.54 0.00 0.35 0.00 0.00 41.96 40.42 1xje s TYR 311 CO 0.26 0.34 1.46 -0.35 -1.34 0.00 0.00 175.55 175.93 1xje n PRO 312 N 0.77 2.47 0.21 4.97 -0.04 -1.26 -4.89 135.00 137.23 1xje n PRO 312 Ca -0.02 -2.26 0.14 0.00 -0.04 0.00 0.00 63.50 61.32 1xje n PRO 312 Cb 0.51 -1.51 0.42 0.00 -0.04 0.00 0.00 33.50 32.88 1xje n PRO 312 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1xje h HIS 313 N 3.97 0.00 -2.94 0.54 2.07 -1.87 -3.41 115.15 113.51 1xje h HIS 313 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 1xje h HIS 313 Cb 0.89 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 30.72 1xje h HIS 313 CO 0.35 0.00 -0.76 1.03 -3.07 0.00 0.00 177.93 175.49 1xje s ARG 314 N -3.36 1.36 -0.01 5.12 0.52 0.03 -5.15 118.95 117.45 1xje s ARG 314 Ca 0.05 -1.55 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 1xje s ARG 314 Cb 0.08 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.26 1xje s ARG 314 CO 0.58 0.24 -0.03 0.21 0.02 0.00 0.00 175.30 176.32 1xje s LYS 315 N -3.31 0.37 -0.38 3.54 2.20 -1.26 -3.63 119.74 117.26 1xje s LYS 315 Ca 0.21 -0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 1xje s LYS 315 Cb -0.03 -0.39 0.02 0.00 -1.51 0.00 0.00 37.83 35.92 1xje s LYS 315 CO 0.08 0.03 1.08 0.42 -0.36 0.00 0.00 175.35 176.60 1xje s ILE 316 N 0.20 4.41 -0.32 5.43 1.01 -1.26 -4.25 121.20 126.42 1xje s ILE 316 Ca -0.02 1.48 0.13 0.00 0.00 0.00 0.00 60.65 62.25 1xje s ILE 316 Cb -0.05 -4.47 -0.17 0.00 0.01 0.00 0.00 42.46 37.77 1xje s ILE 316 CO -0.00 -0.68 0.42 0.59 0.00 0.00 0.00 174.94 175.27 1xje n ASN 317 N 7.20 1.27 -3.55 3.58 3.02 -1.25 -4.86 115.26 120.66 1xje n ASN 317 Ca 0.11 -0.41 -0.11 0.00 -0.03 0.00 0.00 54.58 54.14 1xje n ASN 317 Cb 0.48 1.30 -0.04 0.00 -0.61 0.00 0.00 39.78 40.91 1xje n ASN 317 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xje s SER 318 N -2.86 -0.37 0.42 6.41 0.15 -1.26 -4.43 113.70 111.76 1xje s SER 318 Ca 0.00 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 56.58 1xje s SER 318 Cb 0.09 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1xje s SER 318 CO 0.54 -0.88 0.44 0.42 1.20 0.00 0.00 173.24 174.97 1xje s THR 319 N -3.62 2.77 1.02 6.45 -4.23 -1.26 -1.84 115.64 114.93 1xje s THR 319 Ca 0.01 -1.23 -0.16 0.00 -1.18 0.00 0.00 61.69 59.14 1xje s THR 319 Cb 0.01 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 71.06 1xje s THR 319 CO -0.11 0.00 1.19 0.54 -0.54 0.00 0.00 174.62 175.70 1xje s ASN 320 N -4.21 2.55 0.33 3.99 4.22 -1.09 -4.11 114.94 116.63 1xje s ASN 320 Ca 0.50 0.63 0.13 0.00 -2.14 0.00 0.00 52.86 51.99 1xje s ASN 320 Cb -0.05 -0.93 1.01 0.00 1.28 0.00 0.00 41.25 42.55 1xje s ASN 320 CO 0.30 -3.12 1.69 -0.65 -2.04 0.00 0.00 177.10 173.28 1xje h PRO 321 N -1.89 0.42 -0.46 3.55 0.11 -1.83 -1.69 132.00 130.20 1xje h PRO 321 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xje h PRO 321 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xje h PRO 321 CO 0.45 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 1xje n GLY 323 N 1.28 1.21 0.21 0.00 0.00 -0.64 -4.59 105.19 102.66 1xje n GLY 323 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1xje n GLY 323 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xje h GLU 324 N 3.38 0.00 -4.89 1.61 9.09 -1.82 -3.41 114.58 118.54 1xje h GLU 324 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.81 1xje h GLU 324 Cb 0.00 0.00 -0.34 0.00 -1.65 0.00 0.00 28.75 26.76 1xje h GLU 324 CO 0.00 0.11 -0.84 0.42 0.05 0.00 0.00 179.01 178.74 1xje s ILE 325 N -3.22 1.58 -0.10 -1.06 -1.09 -1.26 -0.29 121.20 115.75 1xje s ILE 325 Ca 0.06 -0.72 -0.21 0.00 -2.23 0.00 0.00 60.65 57.55 1xje s ILE 325 Cb 0.06 -1.41 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 1xje s ILE 325 CO 0.67 0.45 0.58 -0.83 -1.23 0.00 0.00 174.94 174.59 1xje s GLY 326 N 0.65 2.45 -0.02 6.18 0.00 -1.26 -2.66 107.32 112.67 1xje s GLY 326 Ca -0.14 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.55 1xje s GLY 326 CO 0.04 0.99 -0.09 1.08 0.00 0.00 0.00 173.10 175.11 1xje s LEU 327 N 0.82 1.91 0.92 0.66 1.43 -0.77 -5.00 118.68 118.65 1xje s LEU 327 Ca 0.31 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1xje s LEU 327 Cb -0.16 -0.53 0.14 0.00 0.03 0.00 0.00 46.19 45.67 1xje s LEU 327 CO 0.13 0.10 1.13 -0.94 0.23 0.00 0.00 176.35 177.00 1xje s SER 328 N -0.04 3.41 0.24 2.29 1.04 -1.26 -3.93 113.70 115.45 1xje s SER 328 Ca 0.01 0.99 -0.31 0.00 0.48 0.00 0.00 55.95 57.11 1xje s SER 328 Cb -0.06 -1.58 -0.12 0.00 0.10 0.00 0.00 66.02 64.37 1xje s SER 328 CO -0.00 -2.62 1.67 -1.81 0.98 0.00 0.00 173.24 171.46 1xje s ASP 329 N -3.96 6.37 0.00 7.02 -0.00 -1.26 -1.16 116.67 123.68 1xje s ASP 329 Ca 0.64 2.91 0.00 0.00 -0.00 0.00 0.00 52.55 56.10 1xje s ASP 329 Cb -0.15 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.15 1xje s ASP 329 CO 0.54 -0.95 0.00 -1.22 -0.00 0.00 0.00 175.17 173.53 1xje n TYR 330 N 3.22 0.00 -2.69 4.23 4.01 -0.33 -4.98 117.16 120.61 1xje n TYR 330 Ca 0.13 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.50 1xje n TYR 330 Cb 0.36 -0.67 -0.06 0.00 -0.31 0.00 0.00 39.34 38.66 1xje n TYR 330 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1xje s GLU 331 N -0.53 4.45 0.25 -0.72 2.12 -0.31 -4.08 118.70 119.87 1xje s GLU 331 Ca 0.00 1.40 0.04 0.00 0.36 0.00 0.00 54.97 56.77 1xje s GLU 331 Cb 0.00 -2.72 -0.05 0.00 0.26 0.00 0.00 34.13 31.62 1xje s GLU 331 CO 0.00 0.14 -0.01 0.00 -0.54 0.00 0.00 175.26 174.85 1xje s ALA 332 N -1.63 1.95 -0.13 6.30 0.00 -1.26 -1.76 121.76 125.23 1xje s ALA 332 Ca 0.53 -1.81 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 1xje s ALA 332 Cb -0.20 0.44 0.04 0.00 0.00 0.00 0.00 23.12 23.40 1xje s ALA 332 CO 0.25 -0.22 0.34 0.00 0.00 0.00 0.00 175.76 176.14 1xje s ASN 334 N 0.58 6.39 0.29 0.00 4.22 -1.26 -2.49 114.94 122.67 1xje s ASN 334 Ca -0.03 0.47 0.10 0.00 -2.14 0.00 0.00 52.86 51.26 1xje s ASN 334 Cb -0.05 -2.07 -0.04 0.00 1.28 0.00 0.00 41.25 40.37 1xje s ASN 334 CO -0.04 0.41 -0.00 -0.76 -2.04 0.00 0.00 177.10 174.67 1xje s LEU 335 N -1.02 3.12 -0.08 3.54 1.43 -1.26 -1.46 118.68 122.93 1xje s LEU 335 Ca 0.15 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 1xje s LEU 335 Cb -0.12 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.59 1xje s LEU 335 CO 0.04 -0.06 0.84 -0.83 0.23 0.00 0.00 176.35 176.57 1xje s GLY 336 N -3.68 -0.43 -0.02 -3.19 0.00 -0.98 -0.65 107.32 98.37 1xje s GLY 336 Ca 0.32 1.57 0.02 0.00 0.00 0.00 0.00 44.72 46.64 1xje s GLY 336 CO 0.20 0.88 -0.09 -0.56 0.00 0.00 0.00 173.10 173.53 1xje s SER 337 N -1.37 1.15 0.01 1.64 0.01 -0.02 -1.13 113.70 113.99 1xje s SER 337 Ca -0.04 -0.18 -0.24 0.00 1.31 0.00 0.00 55.95 56.80 1xje s SER 337 Cb -0.00 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.91 1xje s SER 337 CO 0.03 0.07 0.74 -0.63 0.41 0.00 0.00 173.24 173.86 1xje s ILE 338 N 0.10 4.83 -0.85 1.44 1.01 -0.32 -1.44 121.20 125.97 1xje s ILE 338 Ca -0.02 1.56 -0.21 0.00 0.00 0.00 0.00 60.65 61.98 1xje s ILE 338 Cb -0.07 -4.08 0.09 0.00 0.01 0.00 0.00 42.46 38.40 1xje s ILE 338 CO 0.00 0.34 1.16 -0.62 0.00 0.00 0.00 174.94 175.82 1xje s ASP 339 N 0.17 6.43 0.41 3.58 2.15 0.01 0.05 116.67 129.48 1xje s ASP 339 Ca 0.38 -1.48 0.29 0.00 0.43 0.00 0.00 52.55 52.17 1xje s ASP 339 Cb -0.20 -2.45 1.31 0.00 -0.30 0.00 0.00 42.92 41.28 1xje s ASP 339 CO 0.21 -1.33 1.87 -0.37 -0.17 0.00 0.00 175.17 175.39 1xje h VAL 340 N 6.09 0.00 -0.02 1.11 -1.51 -1.58 -2.52 116.25 117.82 1xje h VAL 340 Ca -0.00 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 65.17 1xje h VAL 340 Cb 1.04 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1xje h VAL 340 CO 1.21 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 177.43 1xje h ALA 341 N 2.11 1.77 0.00 5.19 0.00 -1.75 -1.94 119.26 124.64 1xje h ALA 341 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xje h ALA 341 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xje h ALA 341 CO 0.00 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.06 1xje n LYS 342 N -4.38 0.14 -0.25 0.00 5.02 -0.95 -3.14 118.16 114.61 1xje n LYS 342 Ca -0.02 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1xje n LYS 342 Cb 0.20 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 33.96 1xje n LYS 342 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xje n PHE 343 N -1.38 0.65 -2.19 2.13 3.01 -0.73 -4.94 117.46 114.02 1xje n PHE 343 Ca 0.07 -0.33 -0.42 0.00 1.01 0.00 0.00 57.45 57.78 1xje n PHE 343 Cb 0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 1xje n PHE 343 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1xje s TYR 344 N -1.35 3.26 -0.26 1.38 5.04 -1.19 -0.67 117.35 123.57 1xje s TYR 344 Ca 0.42 0.99 -0.01 0.00 -2.44 0.00 0.00 57.07 56.03 1xje s TYR 344 Cb 0.24 -3.66 0.13 0.00 0.35 0.00 0.00 41.96 39.02 1xje s TYR 344 CO 0.32 -2.28 0.30 1.21 -1.34 0.00 0.00 175.55 173.76 1xje s ASN 345 N 1.06 1.26 -1.47 4.32 3.04 0.11 -4.90 114.94 118.36 1xje s ASN 345 Ca 0.64 -0.44 -0.07 0.00 0.04 0.00 0.00 52.86 53.03 1xje s ASN 345 Cb -0.36 0.63 0.05 0.00 -1.54 0.00 0.00 41.25 40.03 1xje s ASN 345 CO 0.30 -0.36 0.72 0.59 -3.04 0.00 0.00 177.10 175.31 1xje n ASN 346 N 5.33 -2.32 0.00 -4.21 5.03 -1.26 -2.18 115.26 115.65 1xje n ASN 346 Ca -0.03 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 54.53 1xje n ASN 346 Cb 0.48 -3.51 0.00 0.00 -1.02 0.00 0.00 39.78 35.73 1xje n ASN 346 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xje n GLY 347 N -1.70 0.38 3.15 7.41 0.00 -1.26 -5.05 105.19 108.12 1xje n GLY 347 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1xje n GLY 347 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xje s PHE 348 N -2.00 0.84 0.04 1.61 0.40 -0.93 -4.97 117.98 112.97 1xje s PHE 348 Ca 0.00 -1.16 -0.25 0.00 -0.60 0.00 0.00 56.93 54.92 1xje s PHE 348 Cb 0.00 -0.49 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 1xje s PHE 348 CO 0.00 -0.44 0.76 0.08 0.70 0.00 0.00 175.22 176.32 1xje s VAL 349 N -3.96 4.73 -0.89 -0.44 1.01 -1.26 0.09 120.40 119.67 1xje s VAL 349 Ca 0.20 1.62 -0.22 0.00 0.00 0.00 0.00 61.98 63.58 1xje s VAL 349 Cb 0.07 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.43 1xje s VAL 349 CO -0.01 0.37 1.22 -0.62 0.00 0.00 0.00 175.10 176.06 1xje s ASP 350 N -0.07 6.46 0.43 3.32 3.68 0.16 -4.83 116.67 125.82 1xje s ASP 350 Ca 0.38 -1.51 0.22 0.00 2.13 0.00 0.00 52.55 53.78 1xje s ASP 350 Cb -0.20 -2.47 0.90 0.00 -1.45 0.00 0.00 42.92 39.69 1xje s ASP 350 CO 0.23 -1.35 1.83 -0.07 0.13 0.00 0.00 175.17 175.93 1xje h LEU 351 N 11.62 0.00 0.06 -1.34 3.38 -1.94 -2.13 115.31 124.95 1xje h LEU 351 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xje h LEU 351 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1xje h LEU 351 CO 1.24 0.26 -0.03 -0.08 0.09 0.00 0.00 178.44 179.93 1xje h GLU 352 N 0.00 -0.07 -0.13 1.13 4.81 -1.88 -1.34 114.58 117.10 1xje h GLU 352 Ca -0.00 0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1xje h GLU 352 Cb 0.74 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1xje h GLU 352 CO 0.03 -0.04 -0.71 0.00 -0.73 0.00 0.00 179.01 177.56 1xje h ALA 353 N 0.86 0.51 -0.48 2.92 0.00 -1.47 -3.13 119.26 118.47 1xje h ALA 353 Ca -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xje h ALA 353 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xje h ALA 353 CO 0.01 0.72 0.29 1.25 0.00 0.00 0.00 179.25 181.52 1xje h LEU 354 N 0.41 0.59 -0.58 0.00 5.85 -1.32 -0.70 115.31 119.56 1xje h LEU 354 Ca -0.03 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1xje h LEU 354 Cb 1.30 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1xje h LEU 354 CO 0.13 0.48 0.36 -0.61 -0.34 0.00 0.00 178.44 178.46 1xje h GLN 355 N 0.65 0.69 -0.49 1.25 4.15 -1.26 -0.30 115.11 119.79 1xje h GLN 355 Ca 0.17 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.58 1xje h GLN 355 Cb 0.01 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.51 1xje h GLN 355 CO -0.03 0.45 0.28 0.93 -1.93 0.00 0.00 178.83 178.53 1xje h GLU 356 N 0.71 0.53 -0.37 1.69 5.08 -1.38 -2.38 114.58 118.46 1xje h GLU 356 Ca 0.23 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1xje h GLU 356 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1xje h GLU 356 CO -0.09 0.35 -0.18 1.25 -1.00 0.00 0.00 179.01 179.34 1xje h LEU 357 N 0.55 0.70 -1.18 1.33 5.85 -0.32 -2.50 115.31 119.74 1xje h LEU 357 Ca 0.20 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1xje h LEU 357 Cb 0.06 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1xje h LEU 357 CO -0.11 0.88 0.54 0.58 -0.34 0.00 0.00 178.44 179.99 1xje h VAL 358 N 0.62 1.21 -0.60 1.05 2.07 -0.88 0.29 116.25 120.02 1xje h VAL 358 Ca 0.10 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1xje h VAL 358 Cb 0.65 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1xje h VAL 358 CO 0.05 0.21 -0.02 1.56 0.02 0.00 0.00 177.57 179.38 1xje h GLN 359 N 1.12 1.06 -0.19 1.57 4.20 -1.10 -1.81 115.11 119.97 1xje h GLN 359 Ca 0.30 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1xje h GLN 359 Cb -0.12 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 1xje h GLN 359 CO -0.06 1.05 -0.14 0.82 -0.67 0.00 0.00 178.83 179.83 1xje h ILE 360 N 0.97 1.32 -0.68 2.54 2.04 -1.02 -2.91 117.51 119.76 1xje h ILE 360 Ca 0.17 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.80 1xje h ILE 360 Cb 0.58 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 1xje h ILE 360 CO 0.03 0.38 0.44 0.00 0.00 0.00 0.00 178.15 179.00 1xje h ALA 361 N 0.66 0.88 -0.20 1.87 0.00 -0.32 -1.10 119.26 121.04 1xje h ALA 361 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xje h ALA 361 Cb 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xje h ALA 361 CO 0.04 0.24 0.07 0.28 0.00 0.00 0.00 179.25 179.87 1xje h VAL 362 N 0.87 1.18 -0.60 0.00 2.07 -1.36 -1.02 116.25 117.39 1xje h VAL 362 Ca 0.26 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1xje h VAL 362 Cb -0.03 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1xje h VAL 362 CO -0.09 0.18 0.32 -0.09 0.02 0.00 0.00 177.57 177.92 1xje h ARG 363 N 0.17 0.60 -0.19 1.57 2.43 -1.35 -1.06 114.38 116.55 1xje h ARG 363 Ca 0.07 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1xje h ARG 363 Cb 0.21 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1xje h ARG 363 CO -0.00 0.39 -0.05 0.35 -1.51 0.00 0.00 179.97 179.15 1xje h PHE 364 N 0.61 -0.10 -0.62 2.20 3.04 -1.00 0.62 116.94 121.69 1xje h PHE 364 Ca 0.27 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.15 1xje h PHE 364 Cb 0.16 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 1xje h PHE 364 CO -0.09 -0.08 0.07 -0.07 -2.02 0.00 0.00 178.31 176.12 1xje h LEU 365 N -0.00 1.02 -0.97 0.59 3.38 -0.93 -1.33 115.31 117.06 1xje h LEU 365 Ca 0.09 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xje h LEU 365 Cb 0.14 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1xje h LEU 365 CO -0.20 1.04 0.60 -0.78 0.09 0.00 0.00 178.44 179.20 1xje h ASP 366 N 0.97 1.15 -0.33 -0.43 3.58 -0.98 -2.79 116.42 117.58 1xje h ASP 366 Ca 0.19 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 1xje h ASP 366 Cb 0.48 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1xje h ASP 366 CO 0.02 0.86 0.03 0.78 -2.88 0.00 0.00 179.24 178.06 1xje h ASN 367 N 1.33 0.62 -0.91 2.28 4.21 -0.36 -2.98 115.58 119.78 1xje h ASN 367 Ca 0.35 -0.12 0.11 0.00 1.21 0.00 0.00 56.30 57.84 1xje h ASN 367 Cb -0.09 -0.16 -0.07 0.00 -1.12 0.00 0.00 38.32 36.88 1xje h ASN 367 CO -0.07 0.67 0.58 0.58 -1.29 0.00 0.00 177.43 177.91 1xje h VAL 368 N 0.63 0.95 -0.36 2.81 2.07 -0.97 -1.14 116.25 120.23 1xje h VAL 368 Ca 0.13 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1xje h VAL 368 Cb 0.35 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1xje h VAL 368 CO 0.01 0.16 -0.08 0.40 0.02 0.00 0.00 177.57 178.08 1xje h ILE 369 N 0.88 0.64 0.00 4.57 2.04 -1.52 -0.76 117.51 123.36 1xje h ILE 369 Ca 0.43 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.27 1xje h ILE 369 Cb 0.46 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xje h ILE 369 CO -0.19 0.00 -0.09 0.44 0.00 0.00 0.00 178.15 178.31 1xje h ASP 370 N 0.01 0.00 -0.04 1.72 3.32 -1.30 -3.04 116.42 117.09 1xje h ASP 370 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1xje h ASP 370 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1xje h ASP 370 CO -0.37 0.09 0.00 1.33 -1.72 0.00 0.00 179.24 178.57 1xje n VAL 371 N -3.85 0.04 -2.59 -1.35 0.24 -0.94 -4.98 118.33 104.91 1xje n VAL 371 Ca -0.02 -0.52 -0.38 0.00 -2.04 0.00 0.00 64.34 61.38 1xje n VAL 371 Cb 0.19 1.32 -0.05 0.00 -1.47 0.00 0.00 33.84 33.83 1xje n VAL 371 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1xje s ASN 372 N -1.40 7.10 -0.12 -1.34 3.84 -0.34 -4.93 114.94 117.75 1xje s ASN 372 Ca 0.21 2.06 -0.00 0.00 0.21 0.00 0.00 52.86 55.33 1xje s ASN 372 Cb 0.14 -2.60 0.02 0.00 -0.55 0.00 0.00 41.25 38.27 1xje s ASN 372 CO 0.21 -0.25 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.49 1xje s VAL 373 N -1.46 1.18 0.22 -5.21 1.01 -0.44 -5.00 120.40 110.70 1xje s VAL 373 Ca 0.51 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1xje s VAL 373 Cb -0.25 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1xje s VAL 373 CO 0.31 0.39 0.31 -0.36 0.00 0.00 0.00 175.10 175.76 1xje s PHE 374 N 1.60 3.39 -1.73 5.22 0.40 -1.26 -3.91 117.98 121.69 1xje s PHE 374 Ca 0.04 -0.01 0.30 0.00 -0.60 0.00 0.00 56.93 56.66 1xje s PHE 374 Cb -0.13 -1.56 1.42 0.00 0.51 0.00 0.00 43.02 43.26 1xje s PHE 374 CO -0.08 0.47 1.97 -0.35 0.70 0.00 0.00 175.22 177.92 1xje n PRO 375 N -1.19 0.76 -3.85 0.24 -0.04 -1.26 -4.79 135.00 124.88 1xje n PRO 375 Ca -0.08 -0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.02 1xje n PRO 375 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 1xje n PRO 375 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xje s ILE 376 N -2.36 0.07 0.38 0.52 1.01 -1.26 -5.05 121.20 114.51 1xje s ILE 376 Ca 0.33 0.16 0.06 0.00 0.00 0.00 0.00 60.65 61.20 1xje s ILE 376 Cb 0.21 -0.20 0.22 0.00 0.01 0.00 0.00 42.46 42.70 1xje s ILE 376 CO 0.44 0.13 1.99 0.44 0.00 0.00 0.00 174.94 177.94 1xje h ASP 377 N 7.38 0.48 -0.33 3.58 3.32 -2.01 -2.30 116.42 126.55 1xje h ASP 377 Ca -0.41 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1xje h ASP 377 Cb 1.13 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1xje h ASP 377 CO 0.45 0.43 0.17 0.11 -1.72 0.00 0.00 179.24 178.68 1xje h LYS 378 N 0.54 0.51 -0.17 3.56 1.57 -1.96 -1.87 116.57 118.74 1xje h LYS 378 Ca 0.14 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1xje h LYS 378 Cb 0.09 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xje h LYS 378 CO -0.02 0.41 -0.45 0.82 -0.57 0.00 0.00 179.45 179.64 1xje h ILE 379 N 0.51 1.33 -0.83 1.86 2.04 -1.56 -2.23 117.51 118.63 1xje h ILE 379 Ca 0.13 -1.71 0.12 0.00 1.00 0.00 0.00 64.86 64.40 1xje h ILE 379 Cb 0.07 1.96 -0.08 0.00 -0.74 0.00 0.00 36.82 38.03 1xje h ILE 379 CO -0.02 0.53 0.45 0.74 0.00 0.00 0.00 178.15 179.85 1xje h THR 380 N 0.28 0.82 -0.15 -0.27 2.02 -1.26 -1.53 112.91 112.82 1xje h THR 380 Ca -0.01 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1xje h THR 380 Cb 1.07 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1xje h THR 380 CO 0.10 0.13 0.02 0.50 0.37 0.00 0.00 175.52 176.64 1xje h LYS 381 N 0.70 0.25 -0.59 6.66 3.64 -1.32 -2.25 116.57 123.66 1xje h LYS 381 Ca 0.42 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.68 1xje h LYS 381 Cb 0.49 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1xje h LYS 381 CO -0.30 0.43 0.13 0.00 -2.27 0.00 0.00 179.45 177.45 1xje h ALA 382 N 0.81 1.12 -0.17 5.00 0.00 -1.04 -2.17 119.26 122.80 1xje h ALA 382 Ca 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1xje h ALA 382 Cb 0.31 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xje h ALA 382 CO 0.00 0.59 -0.06 0.28 0.00 0.00 0.00 179.25 180.06 1xje h VAL 383 N 0.89 1.30 -0.58 0.00 2.07 -1.27 -3.01 116.25 115.64 1xje h VAL 383 Ca 0.19 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1xje h VAL 383 Cb 0.33 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1xje h VAL 383 CO 0.00 0.32 0.39 0.11 0.02 0.00 0.00 177.57 178.41 1xje h LYS 384 N 0.04 0.74 -0.01 1.57 1.57 -1.21 0.13 116.57 119.41 1xje h LYS 384 Ca 0.04 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1xje h LYS 384 Cb 0.52 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1xje h LYS 384 CO 0.02 0.49 -0.69 0.93 -0.57 0.00 0.00 179.45 179.62 1xje h GLU 385 N 0.76 0.03 0.00 3.15 5.08 -1.39 -3.40 114.58 118.80 1xje h GLU 385 Ca 0.22 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.38 1xje h GLU 385 Cb -0.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1xje h GLU 385 CO -0.05 0.71 -1.68 0.43 -1.00 0.00 0.00 179.01 177.42 1xje n SER 386 N -3.73 2.99 -3.84 1.42 7.64 -1.12 -2.64 113.62 114.35 1xje n SER 386 Ca -0.01 -0.05 -0.26 0.00 1.01 0.00 0.00 58.87 59.55 1xje n SER 386 Cb 0.68 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.89 1xje n SER 386 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xje n ARG 387 N -2.75 -5.01 -2.12 1.43 1.74 0.45 -1.57 116.66 108.83 1xje n ARG 387 Ca -0.20 0.58 -0.41 0.00 -0.77 0.00 0.00 57.85 57.05 1xje n ARG 387 Cb 0.74 -5.26 -0.03 0.00 -1.02 0.00 0.00 32.46 26.90 1xje n ARG 387 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xje s ARG 388 N -6.35 4.34 0.27 5.56 3.52 -1.26 -3.82 118.95 121.21 1xje s ARG 388 Ca 0.32 2.18 0.11 0.00 -0.13 0.00 0.00 55.73 58.21 1xje s ARG 388 Cb -0.16 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 1xje s ARG 388 CO 0.83 -0.29 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.34 1xje s LEU 389 N -0.62 2.59 -0.57 -0.88 1.43 -0.20 -4.33 118.68 116.10 1xje s LEU 389 Ca 0.56 -1.05 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1xje s LEU 389 Cb -0.39 -0.99 0.20 0.00 0.03 0.00 0.00 46.19 45.03 1xje s LEU 389 CO 0.43 -0.03 0.50 0.61 0.23 0.00 0.00 176.35 178.09 1xje n GLY 390 N -0.58 3.46 3.68 -3.19 0.00 -0.54 -3.35 105.19 104.67 1xje n GLY 390 Ca -0.06 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 1xje n GLY 390 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xje s LEU 391 N -1.18 4.19 0.00 0.99 0.20 0.54 -2.31 118.68 121.12 1xje s LEU 391 Ca 0.31 1.47 0.00 0.00 0.69 0.00 0.00 54.13 56.61 1xje s LEU 391 Cb 0.05 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.26 1xje s LEU 391 CO -0.14 -0.53 0.00 0.61 -0.29 0.00 0.00 176.35 175.99 1xje n GLY 392 N 3.18 5.68 3.19 7.98 0.00 -0.28 -1.24 105.19 123.69 1xje n GLY 392 Ca 0.10 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 1xje n GLY 392 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xje s ILE 393 N -0.62 0.94 0.28 -0.61 -4.36 -1.26 -1.17 121.20 114.39 1xje s ILE 393 Ca 0.00 -1.77 0.03 0.00 -0.26 0.00 0.00 60.65 58.65 1xje s ILE 393 Cb 0.00 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.17 1xje s ILE 393 CO 0.00 -0.65 0.19 0.00 0.24 0.00 0.00 174.94 174.72 1xje s MET 394 N -3.15 1.52 0.00 0.37 0.23 0.11 -4.14 119.30 114.23 1xje s MET 394 Ca 0.09 -1.85 0.00 0.00 -1.03 0.00 0.00 55.69 52.89 1xje s MET 394 Cb -0.00 0.17 0.00 0.00 -1.53 0.00 0.00 34.83 33.47 1xje s MET 394 CO -0.01 -0.50 0.00 0.41 -2.03 0.00 0.00 175.02 172.89 1xje n GLY 395 N -0.49 0.69 0.15 3.16 0.00 -0.07 -1.63 105.19 107.00 1xje n GLY 395 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1xje n GLY 395 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xje h PHE 396 N 0.00 0.45 -0.42 1.61 3.57 -1.79 -0.64 116.94 119.72 1xje h PHE 396 Ca 0.00 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 1xje h PHE 396 Cb 0.00 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1xje h PHE 396 CO 0.00 0.43 -0.07 0.00 -2.23 0.00 0.00 178.31 176.45 1xje h ALA 397 N 0.97 1.10 -0.07 2.41 0.00 -1.81 -1.83 119.26 120.02 1xje h ALA 397 Ca 0.10 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1xje h ALA 397 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xje h ALA 397 CO -0.01 0.56 -0.55 -0.44 0.00 0.00 0.00 179.25 178.81 1xje h ASP 398 N 0.66 0.24 -0.37 0.00 3.32 -1.85 -1.46 116.42 116.95 1xje h ASP 398 Ca 0.12 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1xje h ASP 398 Cb 0.51 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1xje h ASP 398 CO 0.03 0.74 0.17 0.25 -1.72 0.00 0.00 179.24 178.71 1xje h LEU 399 N 0.16 0.50 -1.03 1.55 5.85 -0.57 -1.97 115.31 119.80 1xje h LEU 399 Ca 0.00 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1xje h LEU 399 Cb 1.02 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1xje h LEU 399 CO 0.08 0.51 0.50 -0.07 -0.34 0.00 0.00 178.44 179.12 1xje h LEU 400 N 0.46 1.04 -0.53 2.25 3.38 -1.03 -0.48 115.31 120.40 1xje h LEU 400 Ca 0.13 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1xje h LEU 400 Cb 0.15 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1xje h LEU 400 CO -0.01 0.81 0.16 1.88 0.09 0.00 0.00 178.44 181.37 1xje h TYR 401 N 1.18 0.28 -0.47 1.13 0.05 -0.98 0.11 116.97 118.27 1xje h TYR 401 Ca 0.31 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 59.08 1xje h TYR 401 Cb -0.03 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1xje h TYR 401 CO 0.01 0.06 0.15 0.87 -1.05 0.00 0.00 178.16 178.20 1xje h LYS 402 N 0.32 0.72 0.00 4.88 1.57 -0.58 -2.26 116.57 121.23 1xje h LYS 402 Ca 0.27 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xje h LYS 402 Cb 0.33 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1xje h LYS 402 CO -0.30 0.68 0.00 1.28 -0.57 0.00 0.00 179.45 180.55 1xje n LEU 403 N -4.54 0.00 -3.68 2.94 4.77 -0.27 -4.92 117.00 111.30 1xje n LEU 403 Ca 0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.75 1xje n LEU 403 Cb 0.18 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1xje n LEU 403 CO 0.38 0.00 0.10 -0.62 -1.33 0.00 0.00 177.39 175.93 1xje n GLU 404 N -0.99 -6.26 -4.41 3.23 1.02 -0.26 -5.00 120.64 107.97 1xje n GLU 404 Ca 0.17 0.72 -0.33 0.00 -0.02 0.00 0.00 57.16 57.69 1xje n GLU 404 Cb 0.08 -5.59 -0.15 0.00 -0.02 0.00 0.00 31.44 25.75 1xje n GLU 404 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xje s ILE 405 N -3.41 2.85 0.19 -3.67 1.01 -0.14 -4.95 121.20 113.09 1xje s ILE 405 Ca 0.35 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 1xje s ILE 405 Cb -0.16 -2.23 -0.08 0.00 0.01 0.00 0.00 42.46 40.00 1xje s ILE 405 CO 0.78 0.50 1.22 -2.84 0.00 0.00 0.00 174.94 174.60 1xje s PRO 406 N 0.90 4.47 0.33 2.79 0.02 -1.26 -4.37 135.00 137.87 1xje s PRO 406 Ca -0.03 1.92 0.02 0.00 0.02 0.00 0.00 61.00 62.93 1xje s PRO 406 Cb -0.15 -3.23 0.56 0.00 0.02 0.00 0.00 34.50 31.70 1xje s PRO 406 CO -0.01 -0.11 1.90 -0.92 -0.33 0.00 0.00 177.00 177.53 1xje h TYR 407 N 5.17 0.71 -1.01 6.54 5.03 -1.82 -3.19 116.97 128.40 1xje h TYR 407 Ca -0.45 -0.04 -0.74 0.00 2.58 0.00 0.00 58.73 60.08 1xje h TYR 407 Cb 1.21 -0.22 -0.11 0.00 1.55 0.00 0.00 36.73 39.16 1xje h TYR 407 CO 0.62 0.58 2.47 0.27 -1.32 0.00 0.00 178.16 180.77 1xje n ASN 408 N -4.33 6.24 -3.59 -2.11 6.94 -1.26 -4.70 115.26 112.45 1xje n ASN 408 Ca 0.04 -3.04 -0.16 0.00 -0.02 0.00 0.00 54.58 51.40 1xje n ASN 408 Cb 0.18 -1.47 -0.06 0.00 -2.36 0.00 0.00 39.78 36.06 1xje n ASN 408 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xje s SER 409 N 1.10 -0.49 0.40 0.53 1.04 -1.21 -5.03 113.70 110.04 1xje s SER 409 Ca 0.48 0.42 0.07 0.00 0.48 0.00 0.00 55.95 57.40 1xje s SER 409 Cb 0.14 0.47 0.82 0.00 0.10 0.00 0.00 66.02 67.55 1xje s SER 409 CO -0.04 -0.60 2.01 -0.61 0.98 0.00 0.00 173.24 174.97 1xje h GLN 410 N 3.15 0.45 -0.50 4.02 5.75 -1.90 -2.36 115.11 123.72 1xje h GLN 410 Ca -0.29 -0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.25 1xje h GLN 410 Cb 1.17 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 29.56 1xje h GLN 410 CO 0.40 0.38 0.09 1.49 -2.65 0.00 0.00 178.83 178.53 1xje h GLU 411 N 0.46 0.21 -0.69 1.69 4.81 -1.96 -0.13 114.58 118.97 1xje h GLU 411 Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1xje h GLU 411 Cb 0.09 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1xje h GLU 411 CO -0.01 0.14 0.40 0.00 -0.73 0.00 0.00 179.01 178.81 1xje h ALA 412 N 1.40 0.88 -0.34 2.92 0.00 -1.63 -1.03 119.26 121.46 1xje h ALA 412 Ca 0.25 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1xje h ALA 412 Cb 0.35 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xje h ALA 412 CO -0.34 0.37 -0.45 0.00 0.00 0.00 0.00 179.25 178.82 1xje h ARG 413 N 0.94 0.90 -0.39 0.00 3.08 -1.26 0.16 114.38 117.81 1xje h ARG 413 Ca 0.25 -0.52 -0.10 0.00 0.07 0.00 0.00 59.98 59.68 1xje h ARG 413 Cb -0.01 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1xje h ARG 413 CO -0.04 1.16 -0.16 -0.44 -1.07 0.00 0.00 179.97 179.42 1xje h ASP 414 N 0.72 0.72 -0.40 7.04 3.32 -0.85 -1.49 116.42 125.49 1xje h ASP 414 Ca 0.04 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1xje h ASP 414 Cb 1.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1xje h ASP 414 CO 0.11 0.89 0.14 0.15 -1.72 0.00 0.00 179.24 178.81 1xje h PHE 415 N 0.65 0.62 -0.48 4.55 3.57 -0.94 -2.40 116.94 122.51 1xje h PHE 415 Ca 0.10 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1xje h PHE 415 Cb 0.64 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1xje h PHE 415 CO 0.03 0.57 0.28 0.00 -2.23 0.00 0.00 178.31 176.95 1xje h ALA 416 N 0.99 0.61 -0.62 2.41 0.00 -0.48 -0.52 119.26 121.64 1xje h ALA 416 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xje h ALA 416 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xje h ALA 416 CO -0.01 0.12 0.28 0.00 0.00 0.00 0.00 179.25 179.64 1xje h ALA 417 N 1.12 0.81 -0.28 0.00 0.00 -1.22 -1.27 119.26 118.42 1xje h ALA 417 Ca 0.17 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1xje h ALA 417 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xje h ALA 417 CO -0.03 0.39 -0.48 -0.97 0.00 0.00 0.00 179.25 178.16 1xje h ASN 418 N 0.86 0.82 -0.03 0.00 -1.24 -1.13 0.72 115.58 115.58 1xje h ASN 418 Ca 0.21 -0.41 -0.01 0.00 0.71 0.00 0.00 56.30 56.81 1xje h ASN 418 Cb 0.16 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 1xje h ASN 418 CO -0.02 1.16 -0.01 0.25 -1.29 0.00 0.00 177.43 177.52 1xje h LEU 419 N 0.59 0.07 -0.88 0.34 5.85 -0.96 -1.69 115.31 118.62 1xje h LEU 419 Ca 0.03 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1xje h LEU 419 Cb 1.05 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1xje h LEU 419 CO 0.10 0.44 0.57 -0.03 -0.34 0.00 0.00 178.44 179.18 1xje h MET 420 N -0.30 1.16 -0.73 1.25 4.05 -1.21 -1.31 114.93 117.85 1xje h MET 420 Ca 0.01 -0.08 0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1xje h MET 420 Cb 0.41 -0.26 -0.05 0.00 -0.80 0.00 0.00 31.60 30.90 1xje h MET 420 CO 0.00 0.78 0.46 0.00 0.23 0.00 0.00 176.91 178.38 1xje h ALA 421 N 1.32 0.95 -0.07 0.39 0.00 -0.78 0.63 119.26 121.70 1xje h ALA 421 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1xje h ALA 421 Cb -0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1xje h ALA 421 CO -0.07 0.25 0.04 0.35 0.00 0.00 0.00 179.25 179.82 1xje h PHE 422 N 0.90 0.09 -0.38 0.00 3.57 -0.83 -1.42 116.94 118.86 1xje h PHE 422 Ca 0.29 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1xje h PHE 422 Cb 0.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1xje h PHE 422 CO -0.04 0.07 0.23 0.82 -2.23 0.00 0.00 178.31 177.16 1xje h ILE 423 N 0.07 1.05 -0.64 1.41 2.04 -1.03 -2.10 117.51 118.32 1xje h ILE 423 Ca 0.02 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1xje h ILE 423 Cb 0.01 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1xje h ILE 423 CO -0.00 0.08 0.26 0.00 0.00 0.00 0.00 178.15 178.49 1xje h ALA 424 N 1.16 0.82 -0.17 1.87 0.00 -0.74 -0.47 119.26 121.74 1xje h ALA 424 Ca 0.15 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xje h ALA 424 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1xje h ALA 424 CO -0.06 0.44 -0.04 1.25 0.00 0.00 0.00 179.25 180.84 1xje h LEU 425 N 0.89 -0.15 -0.62 0.00 5.85 -0.95 -1.73 115.31 118.60 1xje h LEU 425 Ca 0.21 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 1xje h LEU 425 Cb 0.20 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1xje h LEU 425 CO -0.02 -0.05 -0.68 0.45 -0.34 0.00 0.00 178.44 177.80 1xje h HIS 426 N 0.00 0.00 -0.14 1.25 3.86 -1.13 -0.72 115.15 118.28 1xje h HIS 426 Ca 0.08 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1xje h HIS 426 Cb 0.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1xje h HIS 426 CO -0.19 0.68 -0.02 0.00 0.86 0.00 0.00 177.93 179.25 1xje h ALA 427 N 1.32 0.19 -0.34 2.45 0.00 -0.93 -1.27 119.26 120.68 1xje h ALA 427 Ca -0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1xje h ALA 427 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1xje h ALA 427 CO 0.09 -0.07 -0.33 0.45 0.00 0.00 0.00 179.25 179.39 1xje h HIS 428 N -0.03 0.89 -0.57 0.00 -0.00 -1.23 -0.90 115.15 113.30 1xje h HIS 428 Ca 0.04 -0.24 0.06 0.00 -0.00 0.00 0.00 60.37 60.23 1xje h HIS 428 Cb 0.43 -0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 27.59 1xje h HIS 428 CO 0.05 0.99 0.28 -0.09 -0.00 0.00 0.00 177.93 179.16 1xje h ARG 429 N 0.64 0.52 -0.55 2.45 2.43 -1.12 -1.19 114.38 117.55 1xje h ARG 429 Ca 0.07 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xje h ARG 429 Cb 0.86 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1xje h ARG 429 CO 0.08 0.34 0.33 1.15 -1.51 0.00 0.00 179.97 180.36 1xje h THR 430 N 0.54 1.16 -0.33 0.20 2.02 -0.81 -2.03 112.91 113.65 1xje h THR 430 Ca 0.26 -0.35 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 1xje h THR 430 Cb 0.20 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1xje h THR 430 CO -0.19 0.17 -0.28 -1.28 0.37 0.00 0.00 175.52 174.30 1xje h SER 431 N 0.76 0.70 -0.06 4.18 0.87 -0.23 -0.82 113.55 118.96 1xje h SER 431 Ca 0.20 -0.27 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1xje h SER 431 Cb -0.03 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.69 1xje h SER 431 CO -0.04 0.95 -0.21 0.22 -0.53 0.00 0.00 176.83 177.22 1xje h TYR 432 N 0.59 -0.54 -0.45 2.24 3.20 -0.85 -0.62 116.97 120.54 1xje h TYR 432 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1xje h TYR 432 Cb 0.78 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 1xje h TYR 432 CO 0.04 -0.29 0.26 0.93 -1.64 0.00 0.00 178.16 177.46 1xje h GLU 433 N -0.30 0.61 -0.20 1.82 5.08 -0.98 -2.03 114.58 118.59 1xje h GLU 433 Ca 0.08 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1xje h GLU 433 Cb 0.41 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1xje h GLU 433 CO -0.24 0.46 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.92 1xje h LEU 434 N 0.59 0.36 -0.62 1.33 4.07 -1.15 0.20 115.31 120.09 1xje h LEU 434 Ca 0.16 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1xje h LEU 434 Cb 0.01 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 1xje h LEU 434 CO -0.03 0.61 0.31 1.23 -1.08 0.00 0.00 178.44 179.48 1xje h GLY 435 N 0.99 0.95 0.93 0.83 0.00 -0.92 0.26 103.07 106.11 1xje h GLY 435 Ca 0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1xje h GLY 435 CO 0.04 0.44 0.13 1.70 0.00 0.00 0.00 176.54 178.85 1xje h LYS 436 N 0.85 0.55 -0.05 4.80 3.64 -1.13 -2.07 116.57 123.16 1xje h LYS 436 Ca 0.22 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1xje h LYS 436 Cb 0.10 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1xje h LYS 436 CO -0.03 0.55 -0.21 1.49 -2.27 0.00 0.00 179.45 178.98 1xje h GLU 437 N 0.44 0.24 0.00 1.90 4.81 -0.91 -3.40 114.58 117.66 1xje h GLU 437 Ca 0.12 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xje h GLU 437 Cb 0.22 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1xje h GLU 437 CO -0.01 0.82 -1.31 1.63 -0.73 0.00 0.00 179.01 179.42 1xje n LYS 438 N -4.54 0.69 0.00 1.92 5.02 0.90 -4.21 118.16 117.94 1xje n LYS 438 Ca -0.08 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1xje n LYS 438 Cb 0.44 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1xje n LYS 438 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xje n GLY 439 N 1.90 3.74 3.83 0.72 0.00 -0.78 -4.76 105.19 109.84 1xje n GLY 439 Ca -0.01 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 1xje n GLY 439 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xje s ASN 440 N 0.00 5.42 0.36 1.61 0.01 -1.22 -4.27 114.94 116.85 1xje s ASN 440 Ca 0.00 1.51 -0.28 0.00 -0.71 0.00 0.00 52.86 53.38 1xje s ASN 440 Cb 0.00 -2.40 -0.10 0.00 0.41 0.00 0.00 41.25 39.16 1xje s ASN 440 CO 0.00 -1.40 1.33 0.72 -1.51 0.00 0.00 177.10 176.24 1xje s PHE 441 N -3.10 2.92 0.36 2.20 -0.71 -0.50 -4.86 117.98 114.29 1xje s PHE 441 Ca 0.58 1.38 0.18 0.00 -1.04 0.00 0.00 56.93 58.03 1xje s PHE 441 Cb -0.13 -3.73 1.17 0.00 -1.21 0.00 0.00 43.02 39.12 1xje s PHE 441 CO 0.55 -2.07 1.66 -1.35 -1.34 0.00 0.00 175.22 172.66 1xje h PRO 442 N 3.15 0.26 -0.26 1.99 0.11 -1.77 -2.05 132.00 133.42 1xje h PRO 442 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xje h PRO 442 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xje h PRO 442 CO 0.64 0.17 0.00 1.28 -0.21 0.00 0.00 178.00 179.88 1xje n LEU 443 N -4.97 1.63 -0.21 2.35 4.77 -1.08 -4.38 117.00 115.11 1xje n LEU 443 Ca 0.33 -0.77 0.01 0.00 -0.03 0.00 0.00 56.01 55.54 1xje n LEU 443 Cb 1.08 -0.17 0.12 0.00 -2.33 0.00 0.00 43.42 42.11 1xje n LEU 443 CO 0.12 0.39 0.98 0.25 -1.33 0.00 0.00 177.39 177.80 1xje h LEU 444 N 1.90 0.20 -1.34 2.23 5.85 -1.67 -1.66 115.31 120.82 1xje h LEU 444 Ca 0.00 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.91 1xje h LEU 444 Cb 0.43 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1xje h LEU 444 CO 0.00 0.11 0.53 -0.33 -0.34 0.00 0.00 178.44 178.41 1xje h GLU 445 N 0.39 0.71 -0.42 1.25 5.08 -1.84 -0.33 114.58 119.42 1xje h GLU 445 Ca 0.32 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1xje h GLU 445 Cb 0.41 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1xje h GLU 445 CO -0.33 0.47 0.00 0.44 -1.00 0.00 0.00 179.01 178.59 1xje n ILE 446 N -4.51 0.55 -2.85 3.13 -5.35 -0.65 -4.55 119.36 105.12 1xje n ILE 446 Ca 0.14 -0.67 -0.22 0.00 -0.27 0.00 0.00 62.75 61.73 1xje n ILE 446 Cb 0.34 0.62 0.02 0.00 -1.74 0.00 0.00 39.64 38.88 1xje n ILE 446 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xje s SER 447 N -1.31 5.57 0.45 7.28 1.04 -0.13 -4.89 113.70 121.70 1xje s SER 447 Ca 0.37 0.09 0.30 0.00 0.48 0.00 0.00 55.95 57.19 1xje s SER 447 Cb 0.21 -1.16 1.20 0.00 0.10 0.00 0.00 66.02 66.36 1xje s SER 447 CO 0.28 -0.90 1.88 0.03 0.98 0.00 0.00 173.24 175.52 1xje h ARG 448 N 0.28 0.00 -0.25 4.02 3.08 -1.26 -1.47 114.38 118.79 1xje h ARG 448 Ca -0.44 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.67 1xje h ARG 448 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1xje h ARG 448 CO 0.54 0.00 0.18 1.88 -1.07 0.00 0.00 179.97 181.50 1xje h TYR 449 N 0.00 0.06 0.00 3.04 0.05 -1.85 -2.90 116.97 115.38 1xje h TYR 449 Ca 0.00 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.35 1xje h TYR 449 Cb 0.49 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.14 1xje h TYR 449 CO 0.00 0.04 -2.48 0.54 -1.05 0.00 0.00 178.16 175.21 1xje n ARG 450 N -4.48 0.58 -0.06 4.88 5.12 -0.78 -3.81 116.66 118.11 1xje n ARG 450 Ca 0.03 0.22 0.07 0.00 -1.93 0.00 0.00 57.85 56.24 1xje n ARG 450 Cb 0.28 -1.46 0.31 0.00 -1.16 0.00 0.00 32.46 30.43 1xje n ARG 450 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1xje n THR 451 N -3.96 0.16 -3.97 0.55 -2.24 -0.62 -4.84 114.28 99.36 1xje n THR 451 Ca -0.51 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 1xje n THR 451 Cb 0.90 0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 69.13 1xje n THR 451 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1xje s GLU 452 N -1.84 0.99 0.06 -0.78 2.12 -1.09 -5.00 118.70 113.16 1xje s GLU 452 Ca 0.23 -1.16 0.05 0.00 0.36 0.00 0.00 54.97 54.45 1xje s GLU 452 Cb 0.12 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.80 1xje s GLU 452 CO 0.18 -0.33 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.98 1xje s ASP 453 N -2.95 4.54 -1.66 -1.70 -0.00 -1.26 -4.66 116.67 108.97 1xje s ASP 453 Ca 0.14 -0.26 0.00 0.00 -0.00 0.00 0.00 52.55 52.43 1xje s ASP 453 Cb 0.05 -0.97 0.00 0.00 -0.00 0.00 0.00 42.92 42.00 1xje s ASP 453 CO -0.04 0.22 0.00 0.59 -0.00 0.00 0.00 175.17 175.95 1xje n ASN 454 N 1.07 -5.03 -4.70 0.27 3.02 -1.26 -4.98 115.26 103.66 1xje n ASN 454 Ca -0.14 0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 1xje n ASN 454 Cb 0.52 -4.06 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 1xje n ASN 454 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xje s PHE 455 N -2.72 3.09 -0.05 3.10 5.36 -1.26 -5.03 117.98 120.47 1xje s PHE 455 Ca 0.00 1.02 0.02 0.00 -0.96 0.00 0.00 56.93 57.01 1xje s PHE 455 Cb 0.00 -3.56 0.01 0.00 -0.34 0.00 0.00 43.02 39.13 1xje s PHE 455 CO 0.00 -1.95 -0.09 0.08 -1.46 0.00 0.00 175.22 171.79 1xje s VAL 456 N 1.93 0.91 -0.89 3.12 1.01 -1.26 -4.83 120.40 120.39 1xje s VAL 456 Ca 0.61 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1xje s VAL 456 Cb -0.30 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.26 1xje s VAL 456 CO 0.26 0.30 0.59 -0.81 0.00 0.00 0.00 175.10 175.45 1xje n PRO 457 N 3.82 1.15 -3.71 2.72 -0.04 -1.26 -4.81 135.00 132.87 1xje n PRO 457 Ca -0.23 -0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.03 1xje n PRO 457 Cb 0.52 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1xje n PRO 457 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xje s PHE 458 N -0.99 -0.26 0.19 0.54 -0.12 -1.26 -4.32 117.98 111.75 1xje s PHE 458 Ca 0.02 -0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.82 1xje s PHE 458 Cb 0.02 0.64 0.11 0.00 -0.63 0.00 0.00 43.02 43.16 1xje s PHE 458 CO 0.01 -0.99 1.47 0.00 -0.05 0.00 0.00 175.22 175.66 1xje h ALA 459 N 2.00 0.67 -0.95 1.99 0.00 -1.78 -3.49 119.26 117.69 1xje h ALA 459 Ca -0.24 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1xje h ALA 459 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xje h ALA 459 CO 0.27 0.74 0.00 -1.33 0.00 0.00 0.00 179.25 178.94 1xje n MET 460 N -3.87 0.00 -0.52 0.00 2.81 0.46 -4.96 117.12 111.04 1xje n MET 460 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1xje n MET 460 Cb 0.67 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.18 1xje n MET 460 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xje n GLY 461 N 0.00 0.75 2.03 3.03 0.00 -1.26 -4.86 105.19 104.88 1xje n GLY 461 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xje n GLY 461 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xje n MET 462 N -2.19 1.18 -3.53 1.61 2.81 -1.26 -5.09 117.12 110.65 1xje n MET 462 Ca 0.00 -2.93 -0.17 0.00 -1.81 0.00 0.00 57.70 52.78 1xje n MET 462 Cb 0.00 -1.01 -0.06 0.00 -0.71 0.00 0.00 33.22 31.44 1xje n MET 462 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xje s SER 463 N -3.01 -0.65 0.00 7.83 0.15 -1.26 -4.30 113.70 112.46 1xje s SER 463 Ca 0.33 0.74 0.29 0.00 0.70 0.00 0.00 55.95 58.01 1xje s SER 463 Cb 0.36 0.57 1.70 0.00 -1.71 0.00 0.00 66.02 66.94 1xje s SER 463 CO -0.09 -0.57 2.07 0.59 1.20 0.00 0.00 173.24 176.44 1xje n ASN 464 N 1.00 0.00 0.00 5.45 5.03 -1.26 -3.04 115.26 122.43 1xje n ASN 464 Ca -0.18 -0.78 0.14 0.00 0.87 0.00 0.00 54.58 54.63 1xje n ASN 464 Cb 0.57 -0.05 0.70 0.00 -1.02 0.00 0.00 39.78 39.98 1xje n ASN 464 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1xje n TYR 465 N -1.05 0.00 -0.26 3.10 4.01 -1.26 -4.36 117.16 117.34 1xje n TYR 465 Ca 0.21 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.92 1xje n TYR 465 Cb 0.12 -0.27 0.09 0.00 -0.31 0.00 0.00 39.34 38.97 1xje n TYR 465 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xje h ASP 466 N 0.00 0.75 -0.56 7.72 3.45 -1.95 -0.42 116.42 125.41 1xje h ASP 466 Ca 0.00 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.35 1xje h ASP 466 Cb 0.25 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 1xje h ASP 466 CO 0.00 0.51 -0.08 0.44 -1.57 0.00 0.00 179.24 178.54 1xje h ASP 467 N 0.89 1.04 -0.25 6.45 3.32 -1.88 -0.65 116.42 125.34 1xje h ASP 467 Ca 0.30 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1xje h ASP 467 Cb 0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1xje h ASP 467 CO -0.12 1.14 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.41 1xje h GLU 468 N 0.93 0.61 -0.43 3.56 4.81 -1.69 -2.01 114.58 120.36 1xje h GLU 468 Ca 0.15 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1xje h GLU 468 Cb 0.65 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1xje h GLU 468 CO 0.05 0.66 0.10 0.82 -0.73 0.00 0.00 179.01 179.91 1xje h ILE 469 N 0.57 1.24 -0.84 2.32 2.04 -0.63 -2.23 117.51 119.97 1xje h ILE 469 Ca 0.11 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1xje h ILE 469 Cb 0.44 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1xje h ILE 469 CO 0.02 0.29 0.53 0.03 0.00 0.00 0.00 178.15 179.02 1xje h ARG 470 N 0.57 0.95 -0.42 2.37 3.08 -0.77 -1.73 114.38 118.43 1xje h ARG 470 Ca 0.13 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.15 1xje h ARG 470 Cb 0.33 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1xje h ARG 470 CO 0.00 0.63 0.24 0.93 -1.07 0.00 0.00 179.97 180.70 1xje h GLU 471 N 0.97 0.48 -0.52 0.04 5.08 -1.24 -2.32 114.58 117.07 1xje h GLU 471 Ca 0.36 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1xje h GLU 471 Cb 0.13 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1xje h GLU 471 CO -0.16 0.32 0.28 -0.24 -1.00 0.00 0.00 179.01 178.21 1xje h VAL 472 N 0.49 1.18 -0.58 3.13 3.04 -0.95 -1.38 116.25 121.18 1xje h VAL 472 Ca 0.17 -0.45 -0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1xje h VAL 472 Cb 0.01 0.53 -0.03 0.00 -2.01 0.00 0.00 31.29 29.79 1xje h VAL 472 CO -0.08 0.19 0.36 0.24 -1.01 0.00 0.00 177.57 177.27 1xje h MET 473 N 0.69 0.78 -0.66 4.17 2.86 -1.21 -0.66 114.93 120.90 1xje h MET 473 Ca 0.18 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1xje h MET 473 Cb 0.05 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1xje h MET 473 CO -0.03 0.54 0.11 0.87 1.06 0.00 0.00 176.91 179.46 1xje h LYS 474 N 0.79 1.09 -0.46 1.72 1.57 -0.95 -2.81 116.57 117.52 1xje h LYS 474 Ca 0.21 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xje h LYS 474 Cb -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1xje h LYS 474 CO -0.04 1.00 0.30 0.52 -0.57 0.00 0.00 179.45 180.66 1xje h MET 475 N 1.01 0.61 0.00 3.15 2.86 -0.05 -2.30 114.93 120.21 1xje h MET 475 Ca 0.20 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1xje h MET 475 Cb 0.44 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1xje h MET 475 CO 0.01 0.41 0.00 0.25 1.06 0.00 0.00 176.91 178.64 1xje n THR 476 N -4.46 0.06 -0.33 2.22 -2.24 -0.57 -2.04 114.28 106.92 1xje n THR 476 Ca 0.04 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1xje n THR 476 Cb 0.06 -0.60 0.34 0.00 -2.10 0.00 0.00 70.33 68.02 1xje n THR 476 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xje h LYS 477 N 0.00 0.74 0.05 -0.78 3.64 -1.42 -3.32 116.57 115.48 1xje h LYS 477 Ca 0.00 -0.04 -0.26 0.00 -1.27 0.00 0.00 60.65 59.08 1xje h LYS 477 Cb 0.06 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1xje h LYS 477 CO 0.00 0.49 -1.40 1.49 -2.27 0.00 0.00 179.45 177.76 1xje h GLU 478 N 0.77 0.11 -4.40 1.90 4.81 -1.62 -3.43 114.58 112.71 1xje h GLU 478 Ca 0.52 -0.18 -0.39 0.00 -0.13 0.00 0.00 59.36 59.18 1xje h GLU 478 Cb 0.80 0.07 -0.31 0.00 0.63 0.00 0.00 28.75 29.94 1xje h GLU 478 CO -0.29 1.09 -0.77 -0.06 -0.73 0.00 0.00 179.01 178.24 1xje s PHE 479 N -2.42 0.74 -0.30 0.92 0.08 -1.23 -4.99 117.98 110.78 1xje s PHE 479 Ca -0.25 -0.17 -0.14 0.00 0.12 0.00 0.00 56.93 56.48 1xje s PHE 479 Cb 0.05 -0.55 0.16 0.00 -0.57 0.00 0.00 43.02 42.12 1xje s PHE 479 CO 0.67 -0.08 0.95 0.50 -0.10 0.00 0.00 175.22 177.16 1xje s ARG 480 N 0.21 0.32 0.15 0.44 3.52 -1.26 -4.20 118.95 118.14 1xje s ARG 480 Ca -0.03 0.80 0.08 0.00 -0.13 0.00 0.00 55.73 56.45 1xje s ARG 480 Cb -0.07 0.48 -0.11 0.00 -1.56 0.00 0.00 34.95 33.69 1xje s ARG 480 CO 0.00 -0.12 1.34 -0.09 -0.81 0.00 0.00 175.30 175.62 1xje h ARG 481 N 7.57 0.00 -4.53 5.12 9.65 -1.40 -1.33 114.38 129.46 1xje h ARG 481 Ca -0.16 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.36 1xje h ARG 481 Cb 1.11 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 29.41 1xje h ARG 481 CO 0.08 0.92 -0.77 -0.80 2.80 0.00 0.00 179.97 182.21 1xje s ASN 482 N -6.72 0.84 0.26 -3.80 -0.87 -1.26 -3.64 114.94 99.74 1xje s ASN 482 Ca 0.01 -0.13 -0.01 0.00 -1.57 0.00 0.00 52.86 51.15 1xje s ASN 482 Cb 0.10 -0.09 0.33 0.00 -0.02 0.00 0.00 41.25 41.57 1xje s ASN 482 CO 0.81 0.09 1.73 1.62 -2.57 0.00 0.00 177.10 178.78 1xje h VAL 483 N 4.96 1.25 -2.73 1.60 3.04 -1.39 -3.46 116.25 119.52 1xje h VAL 483 Ca -0.29 -1.10 -0.03 0.00 -1.01 0.00 0.00 66.70 64.26 1xje h VAL 483 Cb 1.19 1.03 -0.14 0.00 -2.01 0.00 0.00 31.29 31.36 1xje h VAL 483 CO 0.50 0.38 0.21 0.00 -1.01 0.00 0.00 177.57 177.64 1xje s ALA 484 N -4.82 -1.65 0.00 3.17 0.00 -1.26 -4.81 121.76 112.39 1xje s ALA 484 Ca -0.09 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1xje s ALA 484 Cb 0.14 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1xje s ALA 484 CO 0.81 -0.66 0.00 1.28 0.00 0.00 0.00 175.76 177.19 1xje n LEU 485 N -0.04 0.00 -4.19 0.00 4.32 -1.23 -1.03 117.00 114.82 1xje n LEU 485 Ca -0.17 -0.07 -0.21 0.00 -0.02 0.00 0.00 56.01 55.54 1xje n LEU 485 Cb 0.63 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.30 1xje n LEU 485 CO 0.15 0.00 -0.48 -0.76 -1.22 0.00 0.00 177.39 175.08 1xje s LEU 486 N -1.01 2.25 0.29 2.23 1.43 -1.21 -0.34 118.68 122.32 1xje s LEU 486 Ca 0.00 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 1xje s LEU 486 Cb 0.00 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.58 1xje s LEU 486 CO 0.00 -0.00 0.59 0.28 0.23 0.00 0.00 176.35 177.45 1xje s THR 487 N -1.10 0.00 -0.15 5.49 -1.32 -0.37 -2.20 115.64 115.98 1xje s THR 487 Ca 0.01 -1.26 -0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1xje s THR 487 Cb -0.09 -2.31 0.03 0.00 -1.51 0.00 0.00 72.50 68.62 1xje s THR 487 CO 0.02 0.00 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.72 1xje s ILE 488 N -3.61 1.24 0.54 5.08 1.01 -1.15 -3.52 121.20 120.80 1xje s ILE 488 Ca 0.19 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1xje s ILE 488 Cb -0.03 -1.31 0.04 0.00 0.01 0.00 0.00 42.46 41.17 1xje s ILE 488 CO 0.10 0.26 0.76 0.00 0.00 0.00 0.00 174.94 176.07 1xje s ALA 489 N 1.60 4.02 0.36 9.38 0.00 -1.26 -0.65 121.76 135.21 1xje s ALA 489 Ca 0.02 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 50.59 1xje s ALA 489 Cb -0.14 -1.97 0.68 0.00 0.00 0.00 0.00 23.12 21.69 1xje s ALA 489 CO -0.08 -0.73 1.93 -1.35 0.00 0.00 0.00 175.76 175.52 1xje h PRO 490 N 0.12 0.51 -5.86 0.00 0.11 -1.94 -3.39 132.00 121.55 1xje h PRO 490 Ca -0.41 -0.09 -0.44 0.00 0.11 0.00 0.00 66.00 65.17 1xje h PRO 490 Cb 1.29 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1xje h PRO 490 CO 0.49 0.49 -0.69 0.25 -0.21 0.00 0.00 178.00 178.33 1xje n THR 491 N -4.33 -1.85 -0.03 -1.15 -2.24 -1.26 -3.69 114.28 99.72 1xje n THR 491 Ca 0.02 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.90 1xje n THR 491 Cb 0.20 -2.78 0.50 0.00 -2.10 0.00 0.00 70.33 66.15 1xje n THR 491 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xje h GLY 492 N -1.81 0.50 0.00 3.38 0.00 -1.98 -2.08 103.07 101.08 1xje h GLY 492 Ca -0.54 -0.16 -0.33 0.00 0.00 0.00 0.00 47.33 46.30 1xje h GLY 492 CO 0.62 0.11 -2.12 1.44 0.00 0.00 0.00 176.54 176.60 1xje n SER 493 N -4.47 1.74 0.23 0.19 7.64 -1.26 -4.55 113.62 113.13 1xje n SER 493 Ca 0.07 0.15 0.08 0.00 1.01 0.00 0.00 58.87 60.18 1xje n SER 493 Cb 0.29 -0.51 0.53 0.00 -1.01 0.00 0.00 64.21 63.51 1xje n SER 493 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1xje h ILE 494 N -0.52 0.87 0.00 0.44 3.07 -1.93 -1.43 117.51 118.01 1xje h ILE 494 Ca -0.49 -0.89 -0.11 0.00 1.55 0.00 0.00 64.86 64.92 1xje h ILE 494 Cb 1.51 1.53 -0.02 0.00 -0.27 0.00 0.00 36.82 39.57 1xje h ILE 494 CO -0.24 0.23 -0.51 0.77 -1.05 0.00 0.00 178.15 177.35 1xje h SER 495 N 0.00 0.00 -0.21 2.16 4.64 -1.66 -0.25 113.55 118.23 1xje h SER 495 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1xje h SER 495 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1xje h SER 495 CO 0.03 0.51 -0.29 0.78 -0.87 0.00 0.00 176.83 176.99 1xje h ASN 496 N 0.00 0.63 -0.69 4.97 -0.26 -1.49 -0.79 115.58 117.94 1xje h ASN 496 Ca -0.01 -0.51 0.06 0.00 -0.56 0.00 0.00 56.30 55.29 1xje h ASN 496 Cb 0.93 -0.18 -0.06 0.00 -1.06 0.00 0.00 38.32 37.95 1xje h ASN 496 CO 0.07 1.01 0.38 0.40 -1.06 0.00 0.00 177.43 178.23 1xje h ILE 497 N 0.26 0.96 0.00 2.81 2.04 -1.22 -2.60 117.51 119.76 1xje h ILE 497 Ca 0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1xje h ILE 497 Cb 0.87 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1xje h ILE 497 CO 0.07 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.35 1xje n ALA 498 N -2.36 2.29 -3.54 1.87 0.00 -0.12 -4.85 120.51 113.80 1xje n ALA 498 Ca 0.09 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 1xje n ALA 498 Cb 0.19 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.28 1xje n ALA 498 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xje n ASP 499 N -1.25 -2.80 -4.01 0.00 8.00 -0.54 -5.00 116.55 110.95 1xje n ASP 499 Ca 0.13 -0.77 -0.10 0.00 0.71 0.00 0.00 54.79 54.77 1xje n ASP 499 Cb 0.19 -4.49 -0.06 0.00 -0.02 0.00 0.00 41.12 36.73 1xje n ASP 499 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xje s THR 500 N -3.51 0.02 0.86 -3.53 -1.32 -0.42 -5.05 115.64 102.69 1xje s THR 500 Ca 0.13 -1.47 -0.11 0.00 -1.21 0.00 0.00 61.69 59.03 1xje s THR 500 Cb -0.03 -2.13 0.11 0.00 -1.51 0.00 0.00 72.50 68.94 1xje s THR 500 CO 0.78 -0.08 1.09 -0.94 -2.21 0.00 0.00 174.62 173.26 1xje s SER 501 N -3.02 3.75 -0.25 8.08 1.04 -1.26 -4.49 113.70 117.54 1xje s SER 501 Ca 0.23 1.63 -0.15 0.00 0.48 0.00 0.00 55.95 58.15 1xje s SER 501 Cb 0.02 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 1xje s SER 501 CO 0.07 -2.49 0.36 -0.44 0.98 0.00 0.00 173.24 171.72 1xje s SER 502 N -3.36 6.28 0.75 7.02 0.01 -1.26 -0.89 113.70 122.26 1xje s SER 502 Ca 0.63 0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1xje s SER 502 Cb -0.18 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1xje s SER 502 CO 0.57 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1xje n GLY 503 N 4.46 2.60 0.67 3.44 0.00 -1.24 -0.99 105.19 114.12 1xje n GLY 503 Ca -0.09 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1xje n GLY 503 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xje n LEU 504 N 0.00 2.00 -4.78 0.99 -0.00 -1.26 -3.22 117.00 110.73 1xje n LEU 504 Ca 0.00 -0.83 -0.36 0.00 -0.00 0.00 0.00 56.01 54.82 1xje n LEU 504 Cb 0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 43.27 1xje n LEU 504 CO 0.00 0.42 0.77 -1.61 -0.00 0.00 0.00 177.39 176.96 1xje s GLU 505 N -1.76 3.96 0.72 1.47 0.41 -0.17 -4.73 118.70 118.60 1xje s GLU 505 Ca 0.33 1.60 -0.14 0.00 -0.41 0.00 0.00 54.97 56.35 1xje s GLU 505 Cb 0.18 -2.44 0.03 0.00 -1.78 0.00 0.00 34.13 30.13 1xje s GLU 505 CO 0.27 -0.34 1.16 -1.25 -0.49 0.00 0.00 175.26 174.62 1xje s PRO 506 N -2.66 2.33 0.27 0.39 0.04 -1.26 -4.23 135.00 129.88 1xje s PRO 506 Ca 0.61 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1xje s PRO 506 Cb -0.24 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.30 1xje s PRO 506 CO 0.29 -1.65 1.45 0.09 0.04 0.00 0.00 177.00 177.22 1xje n ASN 507 N -2.73 3.08 0.07 6.66 3.02 -1.26 -4.63 115.26 119.47 1xje n ASN 507 Ca 0.12 1.15 -0.18 0.00 -0.03 0.00 0.00 54.58 55.64 1xje n ASN 507 Cb 0.51 -1.48 -0.09 0.00 -0.61 0.00 0.00 39.78 38.10 1xje n ASN 507 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xje h PHE 508 N 4.13 0.81 -3.50 3.10 3.04 -1.94 -0.03 116.94 122.55 1xje h PHE 508 Ca -0.46 -0.48 -0.15 0.00 3.98 0.00 0.00 57.97 60.86 1xje h PHE 508 Cb 1.26 -0.08 -0.21 0.00 2.56 0.00 0.00 35.95 39.48 1xje h PHE 508 CO 0.56 1.32 -0.50 -0.51 -2.02 0.00 0.00 178.31 177.16 1xje s LEU 509 N -7.79 1.55 0.24 0.59 1.43 -1.26 -4.04 118.68 109.41 1xje s LEU 509 Ca -0.07 -0.16 0.23 0.00 -1.03 0.00 0.00 54.13 53.10 1xje s LEU 509 Cb 0.07 0.65 0.16 0.00 0.03 0.00 0.00 46.19 47.10 1xje s LEU 509 CO 0.90 -0.33 1.24 -0.07 0.23 0.00 0.00 176.35 178.32 1xje h LEU 510 N 4.46 0.00 -7.12 1.79 3.38 -1.89 -3.46 115.31 112.47 1xje h LEU 510 Ca -0.30 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1xje h LEU 510 Cb 1.19 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.71 1xje h LEU 510 CO 0.41 0.02 -0.09 0.00 0.09 0.00 0.00 178.44 178.86 1xje s ALA 511 N -3.29 -1.46 0.00 1.53 0.00 -1.26 -0.71 121.76 116.57 1xje s ALA 511 Ca 0.03 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1xje s ALA 511 Cb 0.09 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1xje s ALA 511 CO 0.75 -0.31 0.00 2.48 0.00 0.00 0.00 175.76 178.68 1xje n TYR 512 N 3.69 0.00 -5.06 0.00 0.18 -0.82 -4.59 117.16 110.56 1xje n TYR 512 Ca -0.18 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.28 1xje n TYR 512 Cb 0.57 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.38 1xje n TYR 512 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1xje s THR 513 N -2.00 2.64 0.19 -3.48 -4.23 -1.26 0.10 115.64 107.60 1xje s THR 513 Ca 0.00 -0.88 0.10 0.00 -1.18 0.00 0.00 61.69 59.72 1xje s THR 513 Cb 0.00 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1xje s THR 513 CO 0.00 0.58 -0.19 -0.13 -0.54 0.00 0.00 174.62 174.34 1xje s ARG 514 N -0.64 1.39 -0.34 3.99 0.52 -1.26 -4.93 118.95 117.68 1xje s ARG 514 Ca 0.10 -1.50 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 1xje s ARG 514 Cb -0.11 -1.48 0.10 0.00 0.52 0.00 0.00 34.95 33.98 1xje s ARG 514 CO 0.00 0.30 0.06 -0.06 0.02 0.00 0.00 175.30 175.62 1xje s PHE 515 N -2.12 3.69 -0.08 -0.53 0.40 -1.26 -3.79 117.98 114.29 1xje s PHE 515 Ca 0.19 -2.83 0.04 0.00 -0.60 0.00 0.00 56.93 53.74 1xje s PHE 515 Cb -0.06 -2.87 -0.01 0.00 0.51 0.00 0.00 43.02 40.59 1xje s PHE 515 CO 0.08 -0.94 -0.21 -1.25 0.70 0.00 0.00 175.22 173.60 1xje s PRO 525 N 0.96 2.82 2.26 0.24 0.04 -1.26 -5.19 135.00 134.86 1xje s PRO 525 Ca 0.08 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.29 1xje s PRO 525 Cb -0.20 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1xje s PRO 525 CO -0.07 0.34 0.00 1.47 0.04 0.00 0.00 177.00 178.78 1xje n LEU 526 N 3.10 0.00 -3.73 -3.56 -0.00 -1.25 -5.08 117.00 106.49 1xje n LEU 526 Ca -0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.71 1xje n LEU 526 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.83 1xje n LEU 526 CO 0.27 -0.48 -0.02 -1.48 -0.00 0.00 0.00 177.39 175.67 1xje s LEU 527 N 0.00 0.39 -0.01 1.47 0.05 -1.26 -3.98 118.68 115.33 1xje s LEU 527 Ca 0.00 0.69 0.07 0.00 0.05 0.00 0.00 54.13 54.94 1xje s LEU 527 Cb 0.00 1.08 -0.02 0.00 -2.05 0.00 0.00 46.19 45.19 1xje s LEU 527 CO 0.00 -0.15 -0.23 -0.31 -0.55 0.00 0.00 176.35 175.11 1xje s TYR 528 N 0.88 2.42 -0.11 3.48 1.51 0.28 -4.96 117.35 120.86 1xje s TYR 528 Ca -0.06 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1xje s TYR 528 Cb -0.07 -1.51 0.06 0.00 -0.11 0.00 0.00 41.96 40.33 1xje s TYR 528 CO -0.06 0.05 0.23 0.08 -1.11 0.00 0.00 175.55 174.73 1xje s VAL 529 N -0.68 -0.32 0.06 0.71 1.01 -1.26 -1.95 120.40 117.96 1xje s VAL 529 Ca 0.11 0.28 -0.33 0.00 0.00 0.00 0.00 61.98 62.05 1xje s VAL 529 Cb -0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 36.38 35.77 1xje s VAL 529 CO 0.00 0.12 1.81 -3.20 0.00 0.00 0.00 175.10 173.83 1xje n ASN 530 N 5.19 3.69 -0.09 3.32 2.85 0.12 -4.83 115.26 125.51 1xje n ASN 530 Ca -0.08 0.99 -0.10 0.00 -0.11 0.00 0.00 54.58 55.28 1xje n ASN 530 Cb 0.50 -1.47 0.05 0.00 1.24 0.00 0.00 39.78 40.10 1xje n ASN 530 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1xje h GLN 531 N 8.42 0.81 -0.88 1.20 4.15 -1.98 -0.54 115.11 126.28 1xje h GLN 531 Ca -0.47 -0.38 -0.01 0.00 0.77 0.00 0.00 58.65 58.56 1xje h GLN 531 Cb 1.24 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 1xje h GLN 531 CO 0.93 1.01 0.50 0.28 -1.93 0.00 0.00 178.83 179.63 1xje h VAL 532 N 0.68 1.25 -0.59 2.39 2.07 -1.96 0.30 116.25 120.38 1xje h VAL 532 Ca 0.07 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1xje h VAL 532 Cb 0.87 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1xje h VAL 532 CO 0.08 0.28 0.03 0.25 0.02 0.00 0.00 177.57 178.22 1xje h LEU 533 N 1.22 1.00 -0.89 2.57 5.85 -1.84 -1.57 115.31 121.65 1xje h LEU 533 Ca 0.31 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xje h LEU 533 Cb -0.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1xje h LEU 533 CO -0.05 1.05 0.40 -0.09 -0.34 0.00 0.00 178.44 179.40 1xje h ARG 534 N 0.92 1.20 0.00 1.25 2.43 -0.22 -0.16 114.38 119.80 1xje h ARG 534 Ca 0.17 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xje h ARG 534 Cb 0.52 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1xje h ARG 534 CO 0.02 0.92 0.00 0.39 -1.51 0.00 0.00 179.97 179.80 1xje n GLU 535 N -4.30 0.25 -0.02 0.20 1.02 0.96 -4.32 120.64 114.43 1xje n GLU 535 Ca 0.08 0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.25 1xje n GLU 535 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1xje n GLU 535 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xje n LYS 536 N -1.35 0.08 -2.54 3.49 4.01 -0.62 -5.05 118.16 116.19 1xje n LYS 536 Ca 0.10 0.02 -0.38 0.00 -0.51 0.00 0.00 58.31 57.54 1xje n LYS 536 Cb 0.23 -1.02 -0.04 0.00 -0.51 0.00 0.00 35.03 33.69 1xje n LYS 536 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1xje s LEU 537 N -5.30 4.37 -0.12 -0.35 2.96 -0.14 -4.93 118.68 115.17 1xje s LEU 537 Ca -0.05 2.12 -0.35 0.00 -0.22 0.00 0.00 54.13 55.63 1xje s LEU 537 Cb 0.01 -3.89 -0.13 0.00 0.50 0.00 0.00 46.19 42.68 1xje s LEU 537 CO 0.08 -0.27 1.83 -3.20 -1.32 0.00 0.00 176.35 173.47 1xje n ASN 538 N 0.62 3.18 0.12 3.68 2.85 -1.26 -4.80 115.26 119.66 1xje n ASN 538 Ca 0.02 1.00 0.09 0.00 -0.11 0.00 0.00 54.58 55.58 1xje n ASN 538 Cb 0.47 -1.32 0.46 0.00 1.24 0.00 0.00 39.78 40.63 1xje n ASN 538 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1xje n PRO 539 N 6.18 0.12 -0.06 1.20 -0.04 -1.26 -1.31 135.00 139.82 1xje n PRO 539 Ca 0.23 0.57 -0.22 0.00 -0.04 0.00 0.00 63.50 64.05 1xje n PRO 539 Cb 0.26 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 31.74 1xje n PRO 539 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xje h GLU 540 N 0.00 0.10 0.00 0.54 4.39 -1.98 -3.31 114.58 114.33 1xje h GLU 540 Ca 0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1xje h GLU 540 Cb 0.06 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1xje h GLU 540 CO 0.00 1.08 0.00 0.44 -1.16 0.00 0.00 179.01 179.37 1xje n ILE 541 N -4.09 0.00 -0.13 3.13 -6.64 -0.43 -2.64 119.36 108.56 1xje n ILE 541 Ca -0.32 0.00 -0.28 0.00 -1.77 0.00 0.00 62.75 60.38 1xje n ILE 541 Cb 0.82 -0.53 -0.10 0.00 -1.44 0.00 0.00 39.64 38.39 1xje n ILE 541 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 1xje n LEU 542 N -0.81 2.01 0.25 7.28 -0.00 -0.93 -4.19 117.00 120.61 1xje n LEU 542 Ca 0.09 0.32 0.10 0.00 -0.00 0.00 0.00 56.01 56.52 1xje n LEU 542 Cb 0.04 -0.85 0.64 0.00 -0.00 0.00 0.00 43.42 43.25 1xje n LEU 542 CO 0.07 0.56 0.94 0.11 -0.00 0.00 0.00 177.39 179.06 1xje h LYS 543 N -0.94 0.00 -6.94 1.96 1.57 -1.59 -2.77 116.57 107.86 1xje h LYS 543 Ca -0.65 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.66 1xje h LYS 543 Cb 1.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 1xje h LYS 543 CO -0.38 0.16 0.24 0.50 -0.57 0.00 0.00 179.45 179.39 1xje s ARG 544 N -4.32 4.06 0.00 3.15 3.52 -1.13 -4.21 118.95 120.01 1xje s ARG 544 Ca -0.03 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.44 1xje s ARG 544 Cb 0.14 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.25 1xje s ARG 544 CO 0.63 -0.01 0.00 0.44 -0.81 0.00 0.00 175.30 175.55 1xje n ILE 545 N -0.77 0.00 -0.29 4.11 -5.35 -1.26 -4.76 119.36 111.04 1xje n ILE 545 Ca 0.05 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.63 1xje n ILE 545 Cb 0.54 0.00 0.25 0.00 -1.74 0.00 0.00 39.64 38.69 1xje n ILE 545 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1xje h GLU 546 N 0.00 0.48 0.26 6.28 5.08 -1.66 0.68 114.58 125.70 1xje h GLU 546 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xje h GLU 546 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1xje h GLU 546 CO 0.00 0.32 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.98 1xje h LYS 547 N 0.49 -0.34 -0.38 2.33 3.64 -1.88 -2.34 116.57 118.09 1xje h LYS 547 Ca 0.49 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 1xje h LYS 547 Cb 0.82 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1xje h LYS 547 CO -0.44 -0.09 0.19 1.49 -2.27 0.00 0.00 179.45 178.33 1xje h GLU 548 N -0.56 0.52 -0.19 1.90 4.81 -1.66 -1.02 114.58 118.38 1xje h GLU 548 Ca -0.04 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1xje h GLU 548 Cb 0.41 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1xje h GLU 548 CO 0.06 0.40 -0.16 1.25 -0.73 0.00 0.00 179.01 179.83 1xje h LEU 549 N 0.52 0.47 -1.35 1.64 5.85 0.35 0.86 115.31 123.65 1xje h LEU 549 Ca 0.13 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1xje h LEU 549 Cb 0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1xje h LEU 549 CO -0.02 0.83 0.02 0.40 -0.34 0.00 0.00 178.44 179.34 1xje h ILE 550 N 0.11 1.17 0.17 4.05 2.04 -1.19 0.17 117.51 124.03 1xje h ILE 550 Ca 0.03 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1xje h ILE 550 Cb 0.69 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1xje h ILE 550 CO 0.04 0.23 -0.08 -0.33 0.00 0.00 0.00 178.15 178.01 1xje h GLU 551 N 0.44 -0.22 0.00 2.37 3.07 -0.79 -3.34 114.58 116.12 1xje h GLU 551 Ca 0.10 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1xje h GLU 551 Cb 0.26 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1xje h GLU 551 CO 0.00 0.20 -0.45 0.87 -1.40 0.00 0.00 179.01 178.23 1xje h LYS 552 N -0.74 0.00 -0.02 2.33 1.57 0.71 -3.48 116.57 116.94 1xje h LYS 552 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1xje h LYS 552 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1xje h LYS 552 CO 0.04 0.01 -0.01 0.41 -0.57 0.00 0.00 179.45 179.33 1xje n GLY 553 N 1.14 0.40 3.53 3.86 0.00 0.61 -4.97 105.19 109.76 1xje n GLY 553 Ca 0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1xje n GLY 553 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xje s SER 554 N -2.06 -0.43 0.06 1.61 0.15 -1.24 -4.77 113.70 107.01 1xje s SER 554 Ca 0.00 -0.10 0.26 0.00 0.70 0.00 0.00 55.95 56.80 1xje s SER 554 Cb 0.00 0.53 0.68 0.00 -1.71 0.00 0.00 66.02 65.52 1xje s SER 554 CO 0.00 -0.89 1.56 0.18 1.20 0.00 0.00 173.24 175.29 1xje n LEU 555 N -0.35 0.48 -0.18 3.45 4.77 -1.26 -4.69 117.00 119.21 1xje n LEU 555 Ca -0.12 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1xje n LEU 555 Cb 0.63 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1xje n LEU 555 CO 0.12 0.00 0.60 0.50 -1.33 0.00 0.00 177.39 177.28 1xje h LYS 556 N 0.00 -0.22 -2.08 3.23 3.64 -1.94 -1.69 116.57 117.51 1xje h LYS 556 Ca 0.00 0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.81 1xje h LYS 556 Cb 0.60 0.05 -0.42 0.00 -0.41 0.00 0.00 32.23 32.05 1xje h LYS 556 CO 0.00 -0.15 -0.68 -0.40 -2.27 0.00 0.00 179.45 175.95 1xje n ASP 557 N -5.42 4.41 -4.69 4.20 5.68 -1.26 -4.91 116.55 114.55 1xje n ASP 557 Ca 0.02 -3.67 -0.35 0.00 -0.50 0.00 0.00 54.79 50.29 1xje n ASP 557 Cb 0.35 -0.54 -0.09 0.00 -1.14 0.00 0.00 41.12 39.71 1xje n ASP 557 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1xje s ILE 558 N -4.66 5.07 -0.02 2.12 1.01 -0.64 -5.11 121.20 118.98 1xje s ILE 558 Ca 0.48 0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.93 1xje s ILE 558 Cb 0.31 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1xje s ILE 558 CO -0.15 0.47 0.83 -2.16 0.00 0.00 0.00 174.94 173.93 1xje s PRO 559 N 0.20 4.50 -0.19 2.79 0.04 -1.26 -4.86 135.00 136.23 1xje s PRO 559 Ca 0.06 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.23 1xje s PRO 559 Cb -0.12 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1xje s PRO 559 CO -0.00 0.05 0.00 -0.25 0.04 0.00 0.00 177.00 176.84 1xje n ASP 560 N 3.67 -5.58 -1.91 6.66 8.00 -1.26 -5.03 116.55 121.10 1xje n ASP 560 Ca 0.02 0.89 -0.01 0.00 0.71 0.00 0.00 54.79 56.39 1xje n ASP 560 Cb 0.51 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 1xje n ASP 560 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1xje n VAL 561 N 0.45 -5.00 -1.73 2.53 0.31 -1.26 -4.99 118.33 108.64 1xje n VAL 561 Ca -0.01 0.41 -0.42 0.00 -0.01 0.00 0.00 64.34 64.31 1xje n VAL 561 Cb 0.01 -4.99 -0.01 0.00 -0.91 0.00 0.00 33.84 27.94 1xje n VAL 561 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xje n PRO 562 N -0.15 2.48 -2.42 5.55 -0.02 -1.26 -4.83 135.00 134.35 1xje n PRO 562 Ca 0.02 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 1xje n PRO 562 Cb 0.08 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 30.95 1xje n PRO 562 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xje s GLU 563 N -1.07 3.66 0.00 -0.52 2.12 -1.26 -1.81 118.70 119.83 1xje s GLU 563 Ca 0.61 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.84 1xje s GLU 563 Cb -0.53 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 29.88 1xje s GLU 563 CO 0.54 -1.45 0.00 1.17 -0.54 0.00 0.00 175.26 174.98 1xje n LYS 564 N 7.90 0.00 -0.07 4.30 3.00 -1.26 -4.83 118.16 127.20 1xje n LYS 564 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.33 1xje n LYS 564 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.45 1xje n LYS 564 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1xje h ILE 565 N 0.00 1.33 -0.52 3.15 2.04 -1.75 -2.56 117.51 119.21 1xje h ILE 565 Ca 0.00 -1.39 0.07 0.00 1.00 0.00 0.00 64.86 64.55 1xje h ILE 565 Cb 0.00 1.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1xje h ILE 565 CO 0.00 0.42 0.18 0.11 0.00 0.00 0.00 178.15 178.87 1xje h LYS 566 N 0.17 0.35 -0.01 2.37 1.57 -1.68 0.15 116.57 119.50 1xje h LYS 566 Ca 0.03 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1xje h LYS 566 Cb 0.77 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1xje h LYS 566 CO 0.05 0.23 -0.76 0.87 -0.57 0.00 0.00 179.45 179.28 1xje h LYS 567 N 0.36 0.07 0.00 3.15 1.79 -1.84 -3.26 116.57 116.83 1xje h LYS 567 Ca 0.25 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1xje h LYS 567 Cb 0.28 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1xje h LYS 567 CO -0.26 0.79 -0.03 0.28 -1.08 0.00 0.00 179.45 179.16 1xje h VAL 568 N 0.04 1.68 -0.64 0.50 2.07 -1.20 -3.39 116.25 115.32 1xje h VAL 568 Ca -0.02 -2.04 -0.51 0.00 0.82 0.00 0.00 66.70 64.96 1xje h VAL 568 Cb 1.33 3.07 -0.10 0.00 -1.52 0.00 0.00 31.29 34.07 1xje h VAL 568 CO 0.10 0.53 1.25 0.49 0.02 0.00 0.00 177.57 179.97 1xje n PHE 569 N -4.66 1.56 -2.62 1.57 3.01 0.50 -4.56 117.46 112.27 1xje n PHE 569 Ca -0.10 -2.23 -0.35 0.00 1.01 0.00 0.00 57.45 55.78 1xje n PHE 569 Cb 0.43 -1.73 -0.05 0.00 -0.01 0.00 0.00 39.48 38.12 1xje n PHE 569 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1xje s VAL 570 N -0.42 3.93 0.43 -4.37 -7.23 -1.25 -4.75 120.40 106.73 1xje s VAL 570 Ca 0.62 1.32 0.06 0.00 -1.81 0.00 0.00 61.98 62.17 1xje s VAL 570 Cb 0.29 -3.60 -0.06 0.00 0.56 0.00 0.00 36.38 33.56 1xje s VAL 570 CO -0.11 -0.14 0.06 0.68 -0.31 0.00 0.00 175.10 175.28 1xje s VAL 571 N -1.88 1.97 0.22 1.32 -7.23 -1.26 -4.59 120.40 108.94 1xje s VAL 571 Ca 0.62 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.78 1xje s VAL 571 Cb -0.17 -2.87 0.23 0.00 0.56 0.00 0.00 36.38 34.13 1xje s VAL 571 CO 0.21 0.00 1.65 0.00 -0.31 0.00 0.00 175.10 176.65 1xje h ALA 572 N 1.60 0.66 -0.00 1.32 0.00 -1.13 -0.52 119.26 121.18 1xje h ALA 572 Ca -0.43 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xje h ALA 572 Cb 1.25 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1xje h ALA 572 CO 0.77 -0.40 -0.00 1.28 0.00 0.00 0.00 179.25 180.89 1xje n LEU 573 N -5.31 0.01 0.20 0.00 4.77 -1.26 -2.19 117.00 113.21 1xje n LEU 573 Ca 0.11 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 1xje n LEU 573 Cb 0.39 -0.45 0.56 0.00 -2.33 0.00 0.00 43.42 41.60 1xje n LEU 573 CO 0.08 0.00 0.92 0.44 -1.33 0.00 0.00 177.39 177.50 1xje h ASP 574 N 0.00 0.00 -3.47 -1.43 3.32 -1.48 -3.45 116.42 109.92 1xje h ASP 574 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1xje h ASP 574 Cb 0.45 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.77 1xje h ASP 574 CO 0.00 0.00 -0.65 -0.63 -1.72 0.00 0.00 179.24 176.24 1xje s ILE 575 N -3.46 4.08 0.59 0.35 1.01 -0.93 -4.96 121.20 117.88 1xje s ILE 575 Ca 0.03 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 1xje s ILE 575 Cb 0.09 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1xje s ILE 575 CO 0.48 0.41 1.04 1.51 0.00 0.00 0.00 174.94 178.38 1xje s ASP 576 N 1.10 5.94 0.32 3.58 1.47 -1.26 -4.79 116.67 123.03 1xje s ASP 576 Ca 0.03 1.72 0.09 0.00 1.18 0.00 0.00 52.55 55.56 1xje s ASP 576 Cb -0.14 -2.52 0.87 0.00 -0.34 0.00 0.00 42.92 40.79 1xje s ASP 576 CO 0.02 -1.06 1.72 -0.65 0.68 0.00 0.00 175.17 175.89 1xje h PRO 577 N 0.36 0.53 -0.10 2.11 0.11 -1.96 -0.02 132.00 133.04 1xje h PRO 577 Ca -0.46 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1xje h PRO 577 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1xje h PRO 577 CO 0.58 0.35 -0.51 0.52 -0.21 0.00 0.00 178.00 178.74 1xje h MET 578 N 0.55 0.28 -0.12 1.05 2.86 -1.93 -1.78 114.93 115.85 1xje h MET 578 Ca 0.64 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.98 1xje h MET 578 Cb 1.22 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1xje h MET 578 CO -0.49 0.72 -0.54 -0.44 1.06 0.00 0.00 176.91 177.23 1xje h ASP 579 N 0.22 0.37 -0.20 1.22 3.32 -1.38 -1.45 116.42 118.53 1xje h ASP 579 Ca 0.01 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1xje h ASP 579 Cb 0.97 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 1xje h ASP 579 CO 0.08 0.84 0.03 0.45 -1.72 0.00 0.00 179.24 178.92 1xje h HIS 580 N 0.26 0.05 -0.69 4.55 3.86 -1.06 -2.47 115.15 119.64 1xje h HIS 580 Ca 0.01 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1xje h HIS 580 Cb 1.03 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.48 1xje h HIS 580 CO 0.03 0.01 0.24 1.25 0.86 0.00 0.00 177.93 180.31 1xje h LEU 581 N 0.10 0.99 -0.37 2.43 5.85 -1.16 -1.35 115.31 121.80 1xje h LEU 581 Ca 0.09 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 1xje h LEU 581 Cb 0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1xje h LEU 581 CO -0.13 0.92 -0.82 -0.07 -0.34 0.00 0.00 178.44 178.01 1xje h LEU 582 N 1.01 0.04 -0.03 2.25 3.38 -1.26 -1.57 115.31 119.13 1xje h LEU 582 Ca 0.23 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1xje h LEU 582 Cb 0.27 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xje h LEU 582 CO -0.01 0.84 0.02 -0.03 0.09 0.00 0.00 178.44 179.35 1xje h MET 583 N 0.02 0.04 -0.51 1.13 4.05 -1.23 -1.70 114.93 116.74 1xje h MET 583 Ca -0.01 -0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 1xje h MET 583 Cb 1.44 -0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 32.14 1xje h MET 583 CO 0.11 0.07 -0.05 0.37 0.23 0.00 0.00 176.91 177.64 1xje h GLN 584 N 0.01 0.06 -0.85 0.39 4.15 -0.94 -2.05 115.11 115.87 1xje h GLN 584 Ca 0.01 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.50 1xje h GLN 584 Cb 0.04 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.65 1xje h GLN 584 CO -0.00 0.04 0.52 0.22 -1.93 0.00 0.00 178.83 177.68 1xje h ASP 585 N 0.06 0.81 -0.58 -0.69 1.82 -1.17 -0.62 116.42 116.05 1xje h ASP 585 Ca 0.25 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.91 1xje h ASP 585 Cb 0.39 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 1xje h ASP 585 CO -0.47 0.51 0.33 0.00 -1.61 0.00 0.00 179.24 178.01 1xje h ALA 586 N 1.41 0.75 -0.31 -0.78 0.00 -0.61 -2.34 119.26 117.38 1xje h ALA 586 Ca 0.38 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1xje h ALA 586 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xje h ALA 586 CO -0.19 0.25 -0.21 0.74 0.00 0.00 0.00 179.25 179.85 1xje h PHE 587 N 0.79 0.81 0.00 0.00 0.04 -1.34 -3.23 116.94 114.00 1xje h PHE 587 Ca 0.21 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1xje h PHE 587 Cb 0.02 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 37.99 1xje h PHE 587 CO -0.02 0.94 -0.02 0.37 -0.60 0.00 0.00 178.31 178.98 1xje h GLN 588 N 0.44 0.00 0.00 1.51 5.75 -0.73 -1.30 115.11 120.78 1xje h GLN 588 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1xje h GLN 588 Cb 0.76 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1xje h GLN 588 CO 0.06 0.02 0.00 0.54 -2.65 0.00 0.00 178.83 176.80 1xje n ARG 589 N -3.21 0.11 -0.94 1.69 1.74 -0.91 -2.79 116.66 112.33 1xje n ARG 589 Ca -0.02 0.37 0.04 0.00 -0.77 0.00 0.00 57.85 57.48 1xje n ARG 589 Cb 0.19 -1.72 0.08 0.00 -1.02 0.00 0.00 32.46 29.99 1xje n ARG 589 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xje n TYR 590 N -1.92 0.00 -4.55 -1.55 4.01 -0.50 -0.40 117.16 112.24 1xje n TYR 590 Ca 0.02 -0.72 -0.31 0.00 -0.16 0.00 0.00 57.90 56.74 1xje n TYR 590 Cb 0.18 -0.16 -0.17 0.00 -0.31 0.00 0.00 39.34 38.89 1xje n TYR 590 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xje s VAL 591 N -1.12 1.86 -0.02 -0.72 1.01 -1.12 -4.68 120.40 115.61 1xje s VAL 591 Ca 0.29 -0.86 0.14 0.00 0.00 0.00 0.00 61.98 61.55 1xje s VAL 591 Cb 0.30 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1xje s VAL 591 CO -0.09 0.51 1.46 -2.24 0.00 0.00 0.00 175.10 174.74 1xje h ASP 592 N 7.41 0.00 0.00 3.32 -0.00 -1.75 -3.44 116.42 121.96 1xje h ASP 592 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.70 1xje h ASP 592 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 1xje h ASP 592 CO 0.54 0.60 0.00 0.59 -0.00 0.00 0.00 179.24 180.96 1xje n ASN 593 N -3.32 0.00 -1.11 4.15 3.02 -0.93 -4.92 115.26 112.14 1xje n ASN 593 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1xje n ASN 593 Cb 0.74 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 1xje n ASN 593 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xje n ASN 594 N 0.00 1.17 -3.86 6.41 3.02 0.60 -4.96 115.26 117.64 1xje n ASN 594 Ca 0.00 -0.55 -0.15 0.00 -0.03 0.00 0.00 54.58 53.84 1xje n ASN 594 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1xje n ASN 594 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xje s ILE 595 N 0.53 0.17 -0.40 2.41 1.01 -1.25 -2.95 121.20 120.72 1xje s ILE 595 Ca 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 1xje s ILE 595 Cb 0.00 -0.22 0.02 0.00 0.01 0.00 0.00 42.46 42.27 1xje s ILE 595 CO 0.00 0.10 0.96 -0.55 0.00 0.00 0.00 174.94 175.46 1xje s SER 596 N 0.55 6.65 -0.11 3.58 0.15 0.18 -4.65 113.70 120.06 1xje s SER 596 Ca -0.05 0.49 -0.05 0.00 0.70 0.00 0.00 55.95 57.04 1xje s SER 596 Cb -0.08 -2.48 0.05 0.00 -1.71 0.00 0.00 66.02 61.80 1xje s SER 596 CO -0.01 -0.95 0.24 -0.75 1.20 0.00 0.00 173.24 172.96 1xje s LYS 597 N 3.67 0.17 -0.24 5.44 2.47 -1.26 -4.75 119.74 125.25 1xje s LYS 597 Ca 0.40 0.58 -0.18 0.00 -1.56 0.00 0.00 55.97 55.21 1xje s LYS 597 Cb -0.11 -0.11 -0.03 0.00 -1.46 0.00 0.00 37.83 36.12 1xje s LYS 597 CO 0.22 -0.21 0.50 0.99 0.16 0.00 0.00 175.35 177.01 1xje s THR 598 N 1.65 5.10 -0.76 3.43 2.01 -1.26 -4.01 115.64 121.80 1xje s THR 598 Ca -0.06 0.87 -0.24 0.00 0.31 0.00 0.00 61.69 62.58 1xje s THR 598 Cb -0.11 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.64 1xje s THR 598 CO -0.08 0.13 1.15 -0.63 -0.69 0.00 0.00 174.62 174.50 1xje s ILE 599 N 1.99 4.10 0.37 1.82 -1.09 0.12 -4.93 121.20 123.59 1xje s ILE 599 Ca 0.21 -0.25 -0.26 0.00 -2.23 0.00 0.00 60.65 58.13 1xje s ILE 599 Cb -0.15 -4.82 -0.09 0.00 -1.58 0.00 0.00 42.46 35.82 1xje s ILE 599 CO 0.09 -1.66 1.11 0.20 -1.23 0.00 0.00 174.94 173.45 1xje s ASN 600 N 3.85 6.76 0.02 3.58 -0.87 -1.26 -1.55 114.94 125.47 1xje s ASN 600 Ca 0.31 2.22 0.02 0.00 -1.57 0.00 0.00 52.86 53.83 1xje s ASN 600 Cb -0.11 -2.61 -0.01 0.00 -0.02 0.00 0.00 41.25 38.51 1xje s ASN 600 CO 0.08 -0.50 -0.06 -0.04 -2.57 0.00 0.00 177.10 174.01 1xje s MET 601 N -2.19 0.46 0.65 -0.60 -1.94 -0.49 -4.20 119.30 110.98 1xje s MET 601 Ca 0.55 -0.42 -0.16 0.00 -1.71 0.00 0.00 55.69 53.94 1xje s MET 601 Cb -0.28 -0.35 -0.01 0.00 2.01 0.00 0.00 34.83 36.21 1xje s MET 601 CO 0.35 0.08 1.13 -1.25 -0.01 0.00 0.00 175.02 175.33 1xje s PRO 602 N -0.74 2.81 0.38 2.03 0.04 -1.26 -1.12 135.00 137.15 1xje s PRO 602 Ca -0.03 1.51 0.17 0.00 0.04 0.00 0.00 61.00 62.68 1xje s PRO 602 Cb -0.05 -1.94 1.06 0.00 0.04 0.00 0.00 34.50 33.60 1xje s PRO 602 CO 0.00 -1.26 1.76 0.37 0.04 0.00 0.00 177.00 177.91 1xje h GLN 603 N 0.24 0.42 0.00 4.56 4.15 -1.92 0.13 115.11 122.69 1xje h GLN 603 Ca -0.48 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1xje h GLN 603 Cb 1.26 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1xje h GLN 603 CO 0.54 0.28 0.00 -1.13 -1.93 0.00 0.00 178.83 176.59 1xje n SER 604 N -4.69 0.00 -4.71 -0.69 3.41 -1.26 -4.85 113.62 100.83 1xje n SER 604 Ca 0.26 -0.68 -0.34 0.00 -0.26 0.00 0.00 58.87 57.85 1xje n SER 604 Cb 0.85 -0.09 0.11 0.00 -0.26 0.00 0.00 64.21 64.82 1xje n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xje s ALA 605 N -2.19 1.98 0.43 7.33 0.00 0.45 -5.04 121.76 124.73 1xje s ALA 605 Ca 0.40 0.86 0.07 0.00 0.00 0.00 0.00 51.96 53.29 1xje s ALA 605 Cb 0.20 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1xje s ALA 605 CO 0.38 -2.08 0.25 0.95 0.00 0.00 0.00 175.76 175.26 1xje s THR 606 N -2.06 2.27 0.45 0.00 -4.23 -1.26 -5.00 115.64 105.81 1xje s THR 606 Ca 0.74 -1.59 0.13 0.00 -1.18 0.00 0.00 61.69 59.79 1xje s THR 606 Cb -0.29 -2.87 0.31 0.00 1.34 0.00 0.00 72.50 70.99 1xje s THR 606 CO 0.48 0.00 2.03 0.58 -0.54 0.00 0.00 174.62 177.17 1xje h VAL 607 N 1.24 0.96 -0.02 2.29 2.07 -1.96 -1.92 116.25 118.91 1xje h VAL 607 Ca -0.42 -0.12 -0.18 0.00 0.82 0.00 0.00 66.70 66.81 1xje h VAL 607 Cb 1.26 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1xje h VAL 607 CO 0.65 0.06 -0.78 0.44 0.02 0.00 0.00 177.57 177.96 1xje h ASP 608 N 0.34 0.25 -0.87 0.57 3.32 -1.95 -1.07 116.42 117.01 1xje h ASP 608 Ca 0.19 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1xje h ASP 608 Cb 0.32 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1xje h ASP 608 CO -0.04 0.94 0.58 0.44 -1.72 0.00 0.00 179.24 179.43 1xje h ASP 609 N 0.13 0.99 -0.19 6.45 3.32 -1.75 -1.21 116.42 124.16 1xje h ASP 609 Ca -0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1xje h ASP 609 Cb 1.37 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1xje h ASP 609 CO 0.12 0.72 0.09 0.58 -1.72 0.00 0.00 179.24 179.03 1xje h VAL 610 N 1.17 1.12 -0.83 -1.35 2.07 -1.23 -2.36 116.25 114.84 1xje h VAL 610 Ca 0.32 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1xje h VAL 610 Cb -0.12 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1xje h VAL 610 CO -0.08 0.12 0.50 -0.07 0.02 0.00 0.00 177.57 178.07 1xje h LEU 611 N 0.18 0.78 -1.16 2.57 3.38 -0.94 -1.66 115.31 118.46 1xje h LEU 611 Ca 0.06 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xje h LEU 611 Cb 0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1xje h LEU 611 CO -0.01 0.48 0.27 0.78 0.09 0.00 0.00 178.44 180.05 1xje h ASN 612 N 0.90 0.78 -0.73 -0.43 2.35 -0.97 -1.41 115.58 116.07 1xje h ASN 612 Ca 0.37 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1xje h ASN 612 Cb 0.22 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1xje h ASN 612 CO -0.19 0.68 0.47 0.58 -1.65 0.00 0.00 177.43 177.32 1xje h VAL 613 N 0.85 1.15 -0.18 2.81 2.07 -0.87 -1.37 116.25 120.71 1xje h VAL 613 Ca 0.21 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1xje h VAL 613 Cb 0.12 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1xje h VAL 613 CO -0.02 0.17 0.11 1.88 0.02 0.00 0.00 177.57 179.73 1xje h TYR 614 N 0.94 0.23 -0.34 1.57 0.05 -0.41 0.52 116.97 119.54 1xje h TYR 614 Ca 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.05 1xje h TYR 614 Cb -0.05 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1xje h TYR 614 CO -0.03 0.19 0.20 -0.07 -1.05 0.00 0.00 178.16 177.39 1xje h LEU 615 N 0.21 0.41 -0.90 3.88 3.38 -1.26 -1.54 115.31 119.50 1xje h LEU 615 Ca 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xje h LEU 615 Cb 0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1xje h LEU 615 CO -0.01 0.36 0.49 -0.08 0.09 0.00 0.00 178.44 179.29 1xje h GLU 616 N 0.43 1.25 -0.95 1.13 4.57 -1.12 -2.18 114.58 117.71 1xje h GLU 616 Ca 0.12 -0.15 0.09 0.00 -1.18 0.00 0.00 59.36 58.24 1xje h GLU 616 Cb 0.03 -0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 28.30 1xje h GLU 616 CO -0.02 0.92 0.61 0.00 -1.18 0.00 0.00 179.01 179.34 1xje h ALA 617 N 1.27 1.52 0.00 2.92 0.00 -0.66 -0.03 119.26 124.27 1xje h ALA 617 Ca 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1xje h ALA 617 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xje h ALA 617 CO -0.05 0.30 -0.23 -0.07 0.00 0.00 0.00 179.25 179.20 1xje h LEU 618 N 1.02 0.00 0.05 0.00 3.38 -0.63 -2.61 115.31 116.53 1xje h LEU 618 Ca 0.44 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.14 1xje h LEU 618 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1xje h LEU 618 CO -0.19 0.23 -1.33 0.03 0.09 0.00 0.00 178.44 177.27 1xje h ARG 619 N 0.00 0.12 0.00 1.13 3.08 -0.93 -3.44 114.38 114.34 1xje h ARG 619 Ca -0.00 -0.20 -0.24 0.00 0.07 0.00 0.00 59.98 59.61 1xje h ARG 619 Cb 0.51 0.07 0.11 0.00 0.08 0.00 0.00 29.97 30.75 1xje h ARG 619 CO 0.03 0.97 0.12 0.25 -1.07 0.00 0.00 179.97 180.27 1xje n THR 620 N -3.35 0.00 -0.13 2.04 -2.24 -0.18 -4.97 114.28 105.46 1xje n THR 620 Ca -0.09 -0.37 0.08 0.00 -2.27 0.00 0.00 64.05 61.40 1xje n THR 620 Cb 1.00 -1.29 0.28 0.00 -2.10 0.00 0.00 70.33 68.23 1xje n THR 620 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xje n ASN 621 N -3.97 3.81 -4.76 3.42 3.02 -1.26 -4.99 115.26 110.54 1xje n ASN 621 Ca 0.09 -2.32 -0.37 0.00 -0.03 0.00 0.00 54.58 51.96 1xje n ASN 621 Cb 0.35 -0.50 0.02 0.00 -0.61 0.00 0.00 39.78 39.04 1xje n ASN 621 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xje s VAL 622 N -1.73 2.64 -1.33 2.41 -7.23 -1.26 -4.83 120.40 109.07 1xje s VAL 622 Ca 0.41 0.43 0.21 0.00 -1.81 0.00 0.00 61.98 61.22 1xje s VAL 622 Cb 0.26 -3.19 -0.15 0.00 0.56 0.00 0.00 36.38 33.85 1xje s VAL 622 CO 0.20 -0.05 0.95 0.54 -0.31 0.00 0.00 175.10 176.43 1xje n ARG 623 N -1.22 0.51 -3.77 4.82 1.74 -1.26 -4.94 116.66 112.54 1xje n ARG 623 Ca 0.11 -0.34 -0.01 0.00 -0.77 0.00 0.00 57.85 56.84 1xje n ARG 623 Cb 0.48 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1xje n ARG 623 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xje s GLY 624 N -2.78 -0.18 -0.01 -0.13 0.00 -1.26 -1.10 107.32 101.86 1xje s GLY 624 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.98 1xje s GLY 624 CO 0.75 1.18 0.01 -0.42 0.00 0.00 0.00 173.10 174.63 1xje s ILE 625 N -2.64 -0.02 -0.07 0.90 -1.09 -0.13 -4.99 121.20 113.17 1xje s ILE 625 Ca 0.17 0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.73 1xje s ILE 625 Cb 0.00 -0.06 0.01 0.00 -1.58 0.00 0.00 42.46 40.83 1xje s ILE 625 CO 0.01 0.05 -0.17 -0.89 -1.23 0.00 0.00 174.94 172.71 1xje s THR 626 N 0.57 1.51 0.08 2.92 2.01 -1.26 -1.49 115.64 119.99 1xje s THR 626 Ca -0.05 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.32 1xje s THR 626 Cb -0.07 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1xje s THR 626 CO -0.02 0.44 -0.20 0.68 -0.69 0.00 0.00 174.62 174.83 1xje s VAL 627 N 0.41 2.68 -0.14 3.82 -7.23 -1.26 0.16 120.40 118.84 1xje s VAL 627 Ca -0.14 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1xje s VAL 627 Cb -0.16 -2.17 0.06 0.00 0.56 0.00 0.00 36.38 34.68 1xje s VAL 627 CO 0.05 0.22 0.12 -0.47 -0.31 0.00 0.00 175.10 174.71 1xje s TYR 628 N -1.01 0.03 -0.20 2.82 5.04 -0.59 -4.62 117.35 118.81 1xje s TYR 628 Ca 0.16 0.02 -0.24 0.00 -2.44 0.00 0.00 57.07 54.56 1xje s TYR 628 Cb -0.10 -0.53 -0.01 0.00 0.35 0.00 0.00 41.96 41.66 1xje s TYR 628 CO 0.07 -0.43 0.80 0.50 -1.34 0.00 0.00 175.55 175.14 1xje s ARG 629 N 2.20 4.24 0.31 4.97 3.52 -1.26 -1.40 118.95 131.53 1xje s ARG 629 Ca 0.04 0.92 -0.29 0.00 -0.13 0.00 0.00 55.73 56.27 1xje s ARG 629 Cb -0.15 -3.60 -0.13 0.00 -1.56 0.00 0.00 34.95 29.51 1xje s ARG 629 CO -0.08 -0.39 1.33 -3.47 -0.81 0.00 0.00 175.30 171.88 1xje n ASP 630 N 5.51 2.76 0.00 -2.12 4.64 -0.27 -1.78 116.55 125.28 1xje n ASP 630 Ca 0.04 1.19 0.00 0.00 -1.38 0.00 0.00 54.79 54.63 1xje n ASP 630 Cb 0.48 -1.47 0.00 0.00 -1.04 0.00 0.00 41.12 39.10 1xje n ASP 630 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xje n GLY 631 N 1.25 0.93 0.32 0.27 0.00 -1.26 -3.90 105.19 102.80 1xje n GLY 631 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1xje n GLY 631 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xje h SER 632 N 0.00 -0.65 0.00 1.61 0.02 -1.64 -3.52 113.55 109.37 1xje h SER 632 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xje h SER 632 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1xje h SER 632 CO 0.00 -0.27 0.00 0.18 -1.14 0.00 0.00 176.83 175.60