#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 3.67 0.32 3.17 1.02 -1.26 -3.15 119.74 123.50 1xje s LYS 2 Ca 0.00 1.74 0.03 0.00 0.02 0.00 0.00 55.97 57.76 1xje s LYS 2 Cb 0.00 -2.32 0.61 0.00 -0.52 0.00 0.00 37.83 35.60 1xje s LYS 2 CO 0.00 -0.62 1.90 1.25 -0.92 0.00 0.00 175.35 176.96 1xje h LEU 3 N 1.86 0.83 -1.36 3.17 6.46 -1.86 -0.89 115.31 123.53 1xje h LEU 3 Ca -0.49 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.35 1xje h LEU 3 Cb 1.25 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.98 1xje h LEU 3 CO 0.59 0.50 0.49 0.77 -0.62 0.00 0.00 178.44 180.18 1xje h SER 4 N 0.93 0.67 -0.34 1.25 4.64 -1.97 0.90 113.55 119.63 1xje h SER 4 Ca 0.41 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.59 1xje h SER 4 Cb 0.35 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1xje h SER 4 CO -0.17 0.43 -0.32 0.44 -0.87 0.00 0.00 176.83 176.34 1xje h ASP 5 N 0.76 0.91 -0.64 4.97 3.32 -1.54 -2.13 116.42 122.08 1xje h ASP 5 Ca 0.33 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 1xje h ASP 5 Cb 0.29 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1xje h ASP 5 CO -0.11 1.15 0.06 0.25 -1.72 0.00 0.00 179.24 178.87 1xje h LEU 6 N 0.73 1.06 -0.39 1.55 5.85 -1.01 -2.74 115.31 120.37 1xje h LEU 6 Ca 0.08 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1xje h LEU 6 Cb 0.88 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1xje h LEU 6 CO 0.08 1.08 0.12 0.40 -0.34 0.00 0.00 178.44 179.78 1xje h ILE 7 N 1.01 0.86 -0.92 4.05 2.04 -0.83 -2.18 117.51 121.54 1xje h ILE 7 Ca 0.19 -0.09 0.14 0.00 1.00 0.00 0.00 64.86 66.10 1xje h ILE 7 Cb 0.50 0.57 -0.09 0.00 -0.74 0.00 0.00 36.82 37.06 1xje h ILE 7 CO 0.02 0.05 0.52 0.28 0.00 0.00 0.00 178.15 179.02 1xje h SER 8 N 0.27 0.69 0.10 1.72 0.02 -1.27 -0.07 113.55 115.01 1xje h SER 8 Ca 0.18 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1xje h SER 8 Cb 0.18 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1xje h SER 8 CO -0.20 0.31 -0.07 0.03 -1.14 0.00 0.00 176.83 175.76 1xje h ARG 9 N 0.76 0.00 0.00 3.45 3.08 -1.10 -3.33 114.38 117.24 1xje h ARG 9 Ca 0.49 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.50 1xje h ARG 9 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1xje h ARG 9 CO -0.33 0.07 -1.40 0.91 -1.07 0.00 0.00 179.97 178.15 1xje n TRP 10 N -4.22 0.00 0.12 3.04 7.02 -0.83 -4.72 117.44 117.85 1xje n TRP 10 Ca -0.03 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.47 1xje n TRP 10 Cb 0.16 -0.23 0.35 0.00 -2.42 0.00 0.00 31.31 29.16 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 1.22 -0.54 -0.99 2.10 -1.15 -1.19 117.51 116.96 1xje h ILE 11 Ca -0.05 -1.01 0.00 0.00 1.08 0.00 0.00 64.86 64.87 1xje h ILE 11 Cb 0.66 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 1xje h ILE 11 CO 0.00 0.31 0.00 0.47 -1.08 0.00 0.00 178.15 177.85 1xje n ASP 12 N -4.20 3.37 -4.62 2.19 8.00 -1.26 -4.64 116.55 115.40 1xje n ASP 12 Ca -0.01 -1.98 -0.41 0.00 0.71 0.00 0.00 54.79 53.10 1xje n ASP 12 Cb 0.33 -0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.29 4.94 0.48 2.53 1.01 -0.45 -5.05 120.40 122.57 1xje s VAL 13 Ca 0.42 1.15 -0.09 0.00 0.00 0.00 0.00 61.98 63.45 1xje s VAL 13 Cb 0.22 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1xje s VAL 13 CO 0.30 -0.04 0.84 -1.61 0.00 0.00 0.00 175.10 174.59 1xje s GLU 14 N 2.62 3.67 0.64 2.72 2.02 -1.26 -4.96 118.70 124.15 1xje s GLU 14 Ca 0.28 0.46 -0.18 0.00 0.02 0.00 0.00 54.97 55.55 1xje s GLU 14 Cb -0.15 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.76 1xje s GLU 14 CO 0.09 -0.21 1.25 -2.14 0.02 0.00 0.00 175.26 174.27 1xje s PRO 15 N -4.43 2.64 0.95 0.39 0.02 -1.26 -4.98 135.00 128.34 1xje s PRO 15 Ca 0.51 1.93 -0.13 0.00 0.02 0.00 0.00 61.00 63.33 1xje s PRO 15 Cb -0.10 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.59 1xje s PRO 15 CO 0.40 -1.49 0.44 -1.13 -0.33 0.00 0.00 177.00 174.89 1xje n SER 16 N -1.92 -1.94 -0.13 2.53 3.41 -1.26 -4.68 113.62 109.62 1xje n SER 16 Ca 0.15 0.32 0.04 0.00 -0.26 0.00 0.00 58.87 59.12 1xje n SER 16 Cb 0.49 -1.22 0.35 0.00 -0.26 0.00 0.00 64.21 63.57 1xje n SER 16 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xje h LYS 17 N -1.61 0.73 0.17 4.33 1.57 -1.98 -0.67 116.57 119.11 1xje h LYS 17 Ca -0.44 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1xje h LYS 17 Cb 1.28 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1xje h LYS 17 CO 0.35 0.49 -0.27 -0.97 -0.57 0.00 0.00 179.45 178.47 1xje h ASN 18 N 0.76 -0.76 -0.88 0.86 -1.24 -1.98 -2.12 115.58 110.22 1xje h ASN 18 Ca 0.25 0.08 0.05 0.00 0.71 0.00 0.00 56.30 57.38 1xje h ASN 18 Cb 0.05 0.28 -0.05 0.00 0.73 0.00 0.00 38.32 39.32 1xje h ASN 18 CO -0.07 -0.37 0.58 0.00 -1.29 0.00 0.00 177.43 176.28 1xje h ALA 19 N 0.17 1.48 0.00 1.57 0.00 -1.63 -2.26 119.26 118.59 1xje h ALA 19 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xje h ALA 19 Cb 0.52 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xje h ALA 19 CO -0.12 0.42 -0.13 1.96 0.00 0.00 0.00 179.25 181.38 1xje h GLN 20 N 1.06 0.00 -0.19 0.00 4.20 -0.71 -1.31 115.11 118.16 1xje h GLN 20 Ca 0.36 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.02 1xje h GLN 20 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1xje h GLN 20 CO -0.12 0.13 -0.06 0.82 -0.67 0.00 0.00 178.83 178.93 1xje h ILE 21 N 0.00 1.30 -0.59 2.54 2.04 -0.78 -2.03 117.51 119.99 1xje h ILE 21 Ca -0.00 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1xje h ILE 21 Cb 0.26 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1xje h ILE 21 CO 0.02 0.32 0.30 0.40 0.00 0.00 0.00 178.15 179.19 1xje h ILE 22 N 0.08 1.20 0.10 -0.67 2.04 -1.32 -1.09 117.51 117.85 1xje h ILE 22 Ca 0.05 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1xje h ILE 22 Cb 0.52 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1xje h ILE 22 CO 0.02 0.23 -0.05 -0.07 0.00 0.00 0.00 178.15 178.28 1xje h LEU 23 N 0.80 -0.11 -1.10 1.44 3.38 -1.20 -1.94 115.31 116.58 1xje h LEU 23 Ca 0.21 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xje h LEU 23 Cb 0.08 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1xje h LEU 23 CO -0.03 0.08 0.61 0.03 0.09 0.00 0.00 178.44 179.22 1xje h ARG 24 N -0.30 1.10 -0.02 1.13 3.08 -1.26 0.24 114.38 118.35 1xje h ARG 24 Ca -0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xje h ARG 24 Cb 0.25 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xje h ARG 24 CO 0.02 0.73 0.01 0.22 -1.07 0.00 0.00 179.97 179.88 1xje h ASP 25 N 1.14 0.03 0.00 7.04 -0.00 -0.95 -3.42 116.42 120.26 1xje h ASP 25 Ca 0.38 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.32 1xje h ASP 25 Cb 0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.40 1xje h ASP 25 CO -0.13 0.11 0.00 -2.11 -0.00 0.00 0.00 179.24 177.11 1xje n ARG 26 N -5.03 0.00 -0.06 0.28 1.85 -0.75 -4.92 116.66 108.03 1xje n ARG 26 Ca -0.07 -0.14 -0.06 0.00 -1.00 0.00 0.00 57.85 56.58 1xje n ARG 26 Cb 0.07 -0.48 -0.11 0.00 -1.05 0.00 0.00 32.46 30.90 1xje n ARG 26 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1xje n TYR 27 N 0.00 0.00 -2.55 2.89 4.02 0.75 -4.91 117.16 117.36 1xje n TYR 27 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1xje n TYR 27 Cb 0.32 -0.66 -0.02 0.00 -0.02 0.00 0.00 39.34 38.96 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 -2.39 3.25 0.45 -0.72 0.08 -0.65 -4.81 117.98 113.19 1xje s PHE 28 Ca -0.07 1.33 -0.25 0.00 0.12 0.00 0.00 56.93 58.06 1xje s PHE 28 Cb 0.05 -3.35 -0.08 0.00 -0.57 0.00 0.00 43.02 39.07 1xje s PHE 28 CO 0.57 -0.94 1.39 1.41 -0.10 0.00 0.00 175.22 177.55 1xje s MET 29 N 2.48 3.68 0.18 0.44 1.75 -1.26 -4.86 119.30 121.70 1xje s MET 29 Ca 0.52 2.34 0.08 0.00 -1.25 0.00 0.00 55.69 57.38 1xje s MET 29 Cb -0.21 -2.62 -0.04 0.00 2.84 0.00 0.00 34.83 34.79 1xje s MET 29 CO 0.17 -0.80 -0.17 0.15 -0.65 0.00 0.00 175.02 173.73 1xje s LYS 30 N -2.47 1.28 0.74 4.11 1.02 -1.26 -0.45 119.74 122.70 1xje s LYS 30 Ca 0.61 -1.46 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 1xje s LYS 30 Cb -0.42 -1.24 0.08 0.00 -0.52 0.00 0.00 37.83 35.73 1xje s LYS 30 CO 0.54 0.24 1.06 0.16 -0.92 0.00 0.00 175.35 176.42 1xje s ASP 31 N -2.87 4.64 0.60 2.83 1.47 -0.21 -4.85 116.67 118.28 1xje s ASP 31 Ca 0.17 0.47 0.29 0.00 1.18 0.00 0.00 52.55 54.66 1xje s ASP 31 Cb -0.04 -1.05 1.51 0.00 -0.34 0.00 0.00 42.92 43.00 1xje s ASP 31 CO 0.07 -1.73 1.91 -0.07 0.68 0.00 0.00 175.17 176.03 1xje h LEU 32 N -0.74 0.00 -0.27 2.11 3.38 -2.02 0.68 115.31 118.45 1xje h LEU 32 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1xje h LEU 32 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1xje h LEU 32 CO 0.59 0.00 -0.15 0.47 0.09 0.00 0.00 178.44 179.44 1xje n ASP 33 N -3.61 0.57 0.00 -0.43 8.00 -1.26 -4.94 116.55 114.87 1xje n ASP 33 Ca 0.06 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1xje n ASP 33 Cb 0.60 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 1.31 3.40 3.63 0.44 0.00 0.24 -5.04 105.19 109.17 1xje n GLY 34 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1xje n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xje n ASN 35 N 0.01 2.07 -4.71 1.61 3.02 -1.26 -4.55 115.26 111.45 1xje n ASN 35 Ca 0.00 1.16 -0.42 0.00 -0.03 0.00 0.00 54.58 55.29 1xje n ASN 35 Cb 0.00 -1.35 -0.03 0.00 -0.61 0.00 0.00 39.78 37.79 1xje n ASN 35 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1xje s TYR 36 N -0.51 2.93 -0.49 3.10 2.02 -1.26 -1.05 117.35 122.09 1xje s TYR 36 Ca 0.65 0.62 0.23 0.00 -0.37 0.00 0.00 57.07 58.20 1xje s TYR 36 Cb -0.69 -3.88 -0.02 0.00 -0.40 0.00 0.00 41.96 36.97 1xje s TYR 36 CO 0.55 -3.28 0.95 1.28 -1.57 0.00 0.00 175.55 173.48 1xje n LEU 37 N 4.42 0.58 -4.01 -1.29 4.77 0.40 -4.88 117.00 116.98 1xje n LEU 37 Ca 0.14 0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.95 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 0.01 -0.43 -1.61 -1.33 0.00 0.00 177.39 174.64 1xje s GLU 38 N -3.26 0.80 0.00 3.23 2.02 -1.13 -4.95 118.70 115.41 1xje s GLU 38 Ca 0.02 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1xje s GLU 38 Cb 0.14 -0.77 0.00 0.00 0.10 0.00 0.00 34.13 33.60 1xje s GLU 38 CO 0.82 0.17 0.33 0.25 0.02 0.00 0.00 175.26 176.84 1xje n THR 39 N 3.00 0.10 -4.05 3.63 -2.24 -1.26 -4.64 114.28 108.82 1xje n THR 39 Ca -0.15 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1xje n THR 39 Cb 0.56 1.40 -0.11 0.00 -2.10 0.00 0.00 70.33 70.07 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 -0.10 0.49 0.29 -0.78 -0.14 -1.26 -5.03 119.74 113.21 1xje s LYS 40 Ca 0.00 -0.73 0.04 0.00 -1.36 0.00 0.00 55.97 53.92 1xje s LYS 40 Cb 0.00 -0.22 0.68 0.00 -1.68 0.00 0.00 37.83 36.61 1xje s LYS 40 CO 0.00 0.03 1.78 2.35 -0.76 0.00 0.00 175.35 178.75 1xje h TRP 41 N 4.52 1.04 -0.98 3.18 2.91 -2.00 0.21 115.95 124.83 1xje h TRP 41 Ca -0.35 0.03 0.31 0.00 1.13 0.00 0.00 58.89 60.01 1xje h TRP 41 Cb 1.20 -0.31 -0.15 0.00 -0.51 0.00 0.00 29.16 29.39 1xje h TRP 41 CO 0.65 0.26 0.50 1.49 -1.03 0.00 0.00 178.44 180.30 1xje h GLU 42 N 0.78 0.27 -0.37 2.65 4.81 -1.96 -0.49 114.58 120.27 1xje h GLU 42 Ca 0.55 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.65 1xje h GLU 42 Cb 0.81 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1xje h GLU 42 CO -0.36 0.18 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.42 1xje h ASP 43 N 0.28 0.85 -0.34 1.04 3.32 -0.98 -1.96 116.42 118.63 1xje h ASP 43 Ca 0.71 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1xje h ASP 43 Cb 1.59 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 1xje h ASP 43 CO -0.63 1.09 0.15 0.58 -1.72 0.00 0.00 179.24 178.71 1xje h VAL 44 N 0.61 1.17 -0.69 -1.35 2.07 -1.30 -2.53 116.25 114.24 1xje h VAL 44 Ca 0.08 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1xje h VAL 44 Cb 0.80 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1xje h VAL 44 CO 0.07 0.18 0.43 0.00 0.02 0.00 0.00 177.57 178.26 1xje h ALA 45 N 1.00 1.45 0.32 1.67 0.00 -0.96 -1.89 119.26 120.86 1xje h ALA 45 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xje h ALA 45 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xje h ALA 45 CO -0.01 0.48 -0.15 -0.09 0.00 0.00 0.00 179.25 179.48 1xje h ARG 46 N 0.94 -0.41 -0.39 0.00 9.65 -1.24 -0.19 114.38 122.75 1xje h ARG 46 Ca 0.25 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.20 1xje h ARG 46 Cb -0.06 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 1xje h ARG 46 CO -0.05 -0.18 0.15 -0.09 2.80 0.00 0.00 179.97 182.60 1xje h ARG 47 N -0.56 0.32 -0.12 0.20 2.43 -1.28 -1.36 114.38 114.01 1xje h ARG 47 Ca -0.04 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 1xje h ARG 47 Cb 0.41 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1xje h ARG 47 CO 0.07 0.21 -0.49 0.28 -1.51 0.00 0.00 179.97 178.53 1xje h VAL 48 N 0.33 1.36 -0.60 0.20 2.07 -1.30 -1.96 116.25 116.35 1xje h VAL 48 Ca 0.18 -1.80 0.06 0.00 0.82 0.00 0.00 66.70 65.96 1xje h VAL 48 Cb 0.14 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1xje h VAL 48 CO -0.16 0.54 0.31 0.00 0.02 0.00 0.00 177.57 178.27 1xje h ALA 49 N 0.49 0.78 -0.36 1.67 0.00 -0.97 -1.69 119.26 119.19 1xje h ALA 49 Ca -0.03 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xje h ALA 49 Cb 1.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1xje h ALA 49 CO 0.10 -0.04 -0.06 -0.09 0.00 0.00 0.00 179.25 179.16 1xje h ARG 50 N 0.57 0.67 -0.52 0.00 2.43 -1.11 0.05 114.38 116.47 1xje h ARG 50 Ca 0.27 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1xje h ARG 50 Cb 0.20 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1xje h ARG 50 CO -0.19 0.82 0.26 0.28 -1.51 0.00 0.00 179.97 179.63 1xje h VAL 51 N 0.47 1.19 0.02 0.20 2.07 -1.17 -2.44 116.25 116.59 1xje h VAL 51 Ca 0.09 -0.52 -0.22 0.00 0.82 0.00 0.00 66.70 66.87 1xje h VAL 51 Cb 0.56 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1xje h VAL 51 CO 0.03 0.21 -0.97 0.58 0.02 0.00 0.00 177.57 177.44 1xje h VAL 52 N 0.70 1.47 0.00 2.57 2.07 -1.23 -3.01 116.25 118.82 1xje h VAL 52 Ca 0.18 -2.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 1xje h VAL 52 Cb 0.10 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1xje h VAL 52 CO -0.03 0.78 -0.01 0.00 0.02 0.00 0.00 177.57 178.33 1xje h ALA 53 N 0.82 1.76 -0.19 1.67 0.00 -0.89 -2.89 119.26 119.53 1xje h ALA 53 Ca -0.07 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1xje h ALA 53 Cb 1.62 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1xje h ALA 53 CO 0.16 0.02 0.18 1.15 0.00 0.00 0.00 179.25 180.76 1xje h THR 54 N 0.00 0.59 0.00 0.00 2.02 -1.29 -1.23 112.91 113.00 1xje h THR 54 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xje h THR 54 Cb 0.03 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1xje h THR 54 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1xje h ALA 55 N 1.82 1.00 0.00 6.16 0.00 -1.66 -2.24 119.26 124.34 1xje h ALA 55 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xje h ALA 55 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xje h ALA 55 CO -0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1xje n GLU 56 N -2.84 0.16 -0.24 0.00 -0.58 -0.47 -1.99 120.64 114.69 1xje n GLU 56 Ca -0.02 0.38 0.20 0.00 -0.42 0.00 0.00 57.16 57.31 1xje n GLU 56 Cb 0.11 -1.81 0.54 0.00 -0.57 0.00 0.00 31.44 29.71 1xje n GLU 56 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1xje h LEU 57 N 0.00 0.36 -0.84 -4.62 4.07 -1.61 -2.00 115.31 110.68 1xje h LEU 57 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1xje h LEU 57 Cb 0.36 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1xje h LEU 57 CO 0.00 0.14 -0.04 0.18 -1.08 0.00 0.00 178.44 177.63 1xje n LEU 58 N -4.49 1.34 -4.64 1.67 4.77 -0.84 -4.90 117.00 109.90 1xje n LEU 58 Ca 0.20 -0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 55.32 1xje n LEU 58 Cb 0.74 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 1xje n LEU 58 CO 0.31 0.23 1.19 0.21 -1.33 0.00 0.00 177.39 178.00 1xje s ASN 59 N -2.09 6.72 0.00 -1.43 3.84 -0.75 -4.89 114.94 116.33 1xje s ASN 59 Ca 0.36 1.59 0.26 0.00 0.21 0.00 0.00 52.86 55.28 1xje s ASN 59 Cb 0.21 -2.54 1.19 0.00 -0.55 0.00 0.00 41.25 39.56 1xje s ASN 59 CO 0.37 -0.98 1.85 -0.81 -2.79 0.00 0.00 177.10 174.75 1xje n PRO 60 N 7.10 0.14 0.00 0.43 -0.04 -1.26 -3.00 135.00 138.37 1xje n PRO 60 Ca 0.15 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 1xje n PRO 60 Cb 0.45 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.07 1xje n PRO 60 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xje n SER 61 N -1.42 0.10 -4.80 3.54 7.64 -1.26 -4.84 113.62 112.58 1xje n SER 61 Ca 0.09 0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.63 1xje n SER 61 Cb 0.27 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 1xje n SER 61 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xje s TYR 62 N -2.75 3.57 0.24 1.43 2.02 -1.16 -5.09 117.35 115.62 1xje s TYR 62 Ca 0.22 0.68 -0.30 0.00 -0.37 0.00 0.00 57.07 57.30 1xje s TYR 62 Cb 0.20 -2.20 -0.09 0.00 -0.40 0.00 0.00 41.96 39.46 1xje s TYR 62 CO 0.50 0.50 0.95 0.15 -1.57 0.00 0.00 175.55 176.09 1xje s LYS 63 N -0.40 4.84 0.56 -0.62 1.02 -1.26 -4.95 119.74 118.93 1xje s LYS 63 Ca 0.18 1.51 0.25 0.00 0.02 0.00 0.00 55.97 57.93 1xje s LYS 63 Cb -0.14 -3.27 1.58 0.00 -0.52 0.00 0.00 37.83 35.48 1xje s LYS 63 CO 0.06 0.49 2.17 0.87 -0.92 0.00 0.00 175.35 178.03 1xje h LYS 64 N 4.15 0.00 -0.58 1.68 1.79 -1.99 -0.47 116.57 121.15 1xje h LYS 64 Ca -0.45 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.18 1xje h LYS 64 Cb 1.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 1xje h LYS 64 CO 0.68 0.00 0.41 -2.95 -1.08 0.00 0.00 179.45 176.51 1xje h ASN 65 N 0.00 0.02 0.00 0.86 -1.07 -2.05 -2.65 115.58 110.69 1xje h ASN 65 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.41 1xje h ASN 65 Cb 0.17 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.42 1xje h ASN 65 CO -0.00 0.01 -1.28 -1.84 0.07 0.00 0.00 177.43 174.40 1xje n GLU 66 N -4.37 0.99 -0.08 4.14 0.28 -0.22 -4.78 120.64 116.60 1xje n GLU 66 Ca 0.11 -0.08 -0.07 0.00 -0.16 0.00 0.00 57.16 56.97 1xje n GLU 66 Cb 0.64 -1.35 -0.00 0.00 1.43 0.00 0.00 31.44 32.15 1xje n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1xje h LYS 67 N 0.00 -0.14 -0.65 3.44 3.64 -1.08 0.16 116.57 121.95 1xje h LYS 67 Ca 0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1xje h LYS 67 Cb 0.59 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1xje h LYS 67 CO 0.00 -0.09 0.22 1.25 -2.27 0.00 0.00 179.45 178.56 1xje h LEU 68 N -0.14 0.19 0.02 5.20 6.46 -1.86 -0.97 115.31 124.21 1xje h LEU 68 Ca 0.16 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1xje h LEU 68 Cb 0.39 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1xje h LEU 68 CO -0.40 0.10 -0.01 0.44 -0.62 0.00 0.00 178.44 177.95 1xje h ASP 69 N 0.39 -0.02 -0.47 1.25 3.32 -1.12 -1.09 116.42 118.68 1xje h ASP 69 Ca 0.34 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1xje h ASP 69 Cb 0.46 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 1xje h ASP 69 CO -0.35 0.19 0.21 0.03 -1.72 0.00 0.00 179.24 177.60 1xje h ARG 70 N -0.24 0.40 -0.30 3.56 2.47 -0.73 -2.12 114.38 117.43 1xje h ARG 70 Ca -0.00 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1xje h ARG 70 Cb 0.23 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1xje h ARG 70 CO 0.00 0.26 0.18 0.82 0.56 0.00 0.00 179.97 181.80 1xje h ILE 71 N 0.41 1.11 -0.20 2.04 2.04 -1.06 -2.44 117.51 119.41 1xje h ILE 71 Ca 0.21 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1xje h ILE 71 Cb 0.16 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1xje h ILE 71 CO -0.18 0.11 0.02 0.11 0.00 0.00 0.00 178.15 178.21 1xje h LYS 72 N 0.38 0.28 -0.08 2.37 1.57 -0.96 -0.73 116.57 119.40 1xje h LYS 72 Ca 0.11 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1xje h LYS 72 Cb 0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1xje h LYS 72 CO -0.02 0.29 -0.03 0.93 -0.57 0.00 0.00 179.45 180.05 1xje h GLU 73 N 0.28 0.15 -0.48 3.15 5.08 -1.03 -1.14 114.58 120.59 1xje h GLU 73 Ca 0.07 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1xje h GLU 73 Cb 0.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1xje h GLU 73 CO 0.00 0.50 0.05 -1.49 -1.00 0.00 0.00 179.01 177.08 1xje h TRP 74 N -0.21 0.87 -0.75 4.33 4.06 -1.23 -1.78 115.95 121.24 1xje h TRP 74 Ca 0.02 -0.13 0.13 0.00 2.06 0.00 0.00 58.89 60.97 1xje h TRP 74 Cb 0.45 -0.24 -0.09 0.00 -1.00 0.00 0.00 29.16 28.29 1xje h TRP 74 CO 0.06 0.82 0.32 1.49 -3.56 0.00 0.00 178.44 177.57 1xje h GLU 75 N 0.68 0.47 -0.22 0.49 4.81 -1.13 0.33 114.58 120.01 1xje h GLU 75 Ca 0.14 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1xje h GLU 75 Cb 0.43 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1xje h GLU 75 CO 0.01 0.31 0.08 0.22 -0.73 0.00 0.00 179.01 178.90 1xje h ASP 76 N 0.48 0.31 -0.21 1.04 3.58 -0.83 -0.48 116.42 120.32 1xje h ASP 76 Ca 0.41 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 1xje h ASP 76 Cb 0.58 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 1xje h ASP 76 CO -0.38 0.42 -0.26 -0.29 -2.88 0.00 0.00 179.24 175.85 1xje h ILE 77 N 0.19 1.33 -0.38 2.25 6.09 -1.18 -1.58 117.51 124.23 1xje h ILE 77 Ca 0.07 -1.45 0.08 0.00 -1.37 0.00 0.00 64.86 62.19 1xje h ILE 77 Cb 0.21 1.77 -0.08 0.00 0.47 0.00 0.00 36.82 39.19 1xje h ILE 77 CO -0.00 0.45 -0.15 -0.26 -3.07 0.00 0.00 178.15 175.11 1xje h PHE 78 N 0.24 -0.37 -0.43 2.19 0.04 -0.94 -1.74 116.94 115.93 1xje h PHE 78 Ca 0.03 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.87 1xje h PHE 78 Cb 0.83 0.22 -0.04 0.00 2.20 0.00 0.00 35.95 39.17 1xje h PHE 78 CO 0.08 -0.23 0.22 0.35 -0.60 0.00 0.00 178.31 178.13 1xje h PHE 79 N -0.08 0.40 -0.22 -0.55 3.57 -0.90 -1.97 116.94 117.19 1xje h PHE 79 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1xje h PHE 79 Cb 0.37 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1xje h PHE 79 CO -0.39 0.21 0.07 0.00 -2.23 0.00 0.00 178.31 175.96 1xje h ARG 80 N 0.44 0.35 -0.29 1.11 3.08 -0.92 0.10 114.38 118.24 1xje h ARG 80 Ca 0.19 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 1xje h ARG 80 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1xje h ARG 80 CO -0.13 0.44 -0.10 -0.39 -1.07 0.00 0.00 179.97 178.72 1xje h VAL 81 N 0.19 1.22 -0.03 2.04 -1.51 -1.22 -1.24 116.25 115.70 1xje h VAL 81 Ca 0.07 -0.96 -0.11 0.00 -1.23 0.00 0.00 66.70 64.48 1xje h VAL 81 Cb 0.24 1.11 0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1xje h VAL 81 CO -0.00 0.31 -0.41 -0.07 -1.23 0.00 0.00 177.57 176.17 1xje h LEU 82 N 0.45 0.40 -0.77 4.19 3.38 -1.22 -1.40 115.31 120.34 1xje h LEU 82 Ca 0.09 -0.73 0.01 0.00 0.09 0.00 0.00 57.88 57.34 1xje h LEU 82 Cb 0.45 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1xje h LEU 82 CO 0.02 1.07 0.50 0.50 0.09 0.00 0.00 178.44 180.63 1xje h LYS 83 N -0.23 0.99 0.00 1.13 3.64 -0.74 -0.56 116.57 120.80 1xje h LYS 83 Ca -0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1xje h LYS 83 Cb 1.11 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1xje h LYS 83 CO 0.08 0.65 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 1xje h ALA 84 N 1.29 1.00 -4.81 5.00 0.00 -1.24 -3.46 119.26 117.05 1xje h ALA 84 Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.84 1xje h ALA 84 Cb -0.08 0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.80 1xje h ALA 84 CO -0.08 0.00 -0.58 0.54 0.00 0.00 0.00 179.25 179.13 1xje n ARG 85 N -2.65 -6.04 0.04 0.00 1.74 -0.22 -4.72 116.66 104.82 1xje n ARG 85 Ca 0.00 0.77 -0.11 0.00 -0.77 0.00 0.00 57.85 57.74 1xje n ARG 85 Cb 0.20 -5.51 -0.13 0.00 -1.02 0.00 0.00 32.46 26.00 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 -1.95 0.16 -7.59 0.55 4.07 -1.51 -3.43 115.31 105.61 1xje h LEU 86 Ca -0.50 -0.22 -0.24 0.00 0.08 0.00 0.00 57.88 57.00 1xje h LEU 86 Cb 1.33 -0.05 -0.30 0.00 1.08 0.00 0.00 40.66 42.72 1xje h LEU 86 CO 0.51 1.18 -0.67 0.12 -1.08 0.00 0.00 178.44 178.50 1xje s PHE 87 N -2.65 -0.05 -0.02 1.13 5.36 -1.21 -1.46 117.98 119.08 1xje s PHE 87 Ca -0.04 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 1xje s PHE 87 Cb 0.08 -0.07 0.03 0.00 -0.34 0.00 0.00 43.02 42.73 1xje s PHE 87 CO 0.84 -0.07 0.03 0.42 -1.46 0.00 0.00 175.22 174.97 1xje s ILE 88 N 0.50 -0.03 0.73 3.12 1.01 -0.61 -4.20 121.20 121.73 1xje s ILE 88 Ca -0.04 0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 1xje s ILE 88 Cb -0.06 -0.11 0.03 0.00 0.01 0.00 0.00 42.46 42.34 1xje s ILE 88 CO -0.02 0.10 1.07 -2.16 0.00 0.00 0.00 174.94 173.93 1xje s PRO 89 N 1.06 2.64 0.53 2.79 0.04 -1.26 -1.46 135.00 139.34 1xje s PRO 89 Ca -0.09 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 61.69 1xje s PRO 89 Cb -0.13 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1xje s PRO 89 CO -0.03 -1.30 0.65 0.27 0.04 0.00 0.00 177.00 176.62 1xje n ASN 90 N -3.26 -0.49 -0.28 6.66 2.04 0.11 -4.76 115.26 115.27 1xje n ASN 90 Ca 0.08 0.81 0.11 0.00 -0.44 0.00 0.00 54.58 55.13 1xje n ASN 90 Cb 0.54 -1.21 0.26 0.00 -2.53 0.00 0.00 39.78 36.83 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 0.51 0.10 0.08 0.53 0.02 -1.93 -1.81 113.55 111.04 1xje h SER 91 Ca -0.45 0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1xje h SER 91 Cb 1.39 0.21 -0.00 0.00 0.14 0.00 0.00 62.40 64.13 1xje h SER 91 CO 0.49 -0.07 -0.07 -0.65 -1.14 0.00 0.00 176.83 175.39 1xje h PRO 92 N 0.29 0.00 -0.69 3.45 0.11 -1.89 0.79 132.00 134.06 1xje h PRO 92 Ca 0.51 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.66 1xje h PRO 92 Cb 0.96 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 1xje h PRO 92 CO -0.57 0.07 0.41 1.15 -0.21 0.00 0.00 178.00 178.85 1xje h THR 93 N 0.00 1.03 -0.06 -1.15 2.02 -1.34 -1.23 112.91 112.18 1xje h THR 93 Ca -0.00 -0.27 -0.23 0.00 0.77 0.00 0.00 66.41 66.68 1xje h THR 93 Cb 0.13 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1xje h THR 93 CO 0.01 0.14 -0.89 -0.07 0.37 0.00 0.00 175.52 175.08 1xje h LEU 94 N 0.78 0.78 -0.39 2.58 3.38 -1.06 -2.54 115.31 118.85 1xje h LEU 94 Ca 0.29 -0.57 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1xje h LEU 94 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1xje h LEU 94 CO -0.14 1.36 -0.13 -0.26 0.09 0.00 0.00 178.44 179.36 1xje h PHE 95 N 0.39 0.88 -0.00 1.13 0.04 -0.86 -3.38 116.94 115.13 1xje h PHE 95 Ca -0.08 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1xje h PHE 95 Cb 1.52 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.46 1xje h PHE 95 CO 0.08 0.93 -0.39 0.09 -0.60 0.00 0.00 178.31 178.41 1xje n ASN 96 N -4.32 0.76 -4.74 2.17 3.02 -0.47 -4.94 115.26 106.74 1xje n ASN 96 Ca -0.02 -0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 1xje n ASN 96 Cb 0.38 0.81 -0.02 0.00 -0.61 0.00 0.00 39.78 40.34 1xje n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xje s ALA 97 N -1.78 3.69 0.00 5.41 0.00 -0.96 -2.15 121.76 125.97 1xje s ALA 97 Ca 0.06 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1xje s ALA 97 Cb 0.08 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1xje s ALA 97 CO 0.37 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1xje n GLY 98 N 2.54 0.85 3.70 0.00 0.00 -1.26 -4.90 105.19 106.12 1xje n GLY 98 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 4.36 0.00 0.99 1.43 -0.92 -1.77 118.68 122.78 1xje s LEU 99 Ca 0.00 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1xje s LEU 99 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1xje s LEU 99 CO 0.00 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.40 1xje n GLY 100 N 3.75 2.72 3.80 -3.19 0.00 -1.26 -1.89 105.19 109.12 1xje n GLY 100 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.68 4.78 0.32 1.61 1.01 -0.73 -4.65 120.40 120.06 1xje s VAL 101 Ca 0.00 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.92 1xje s VAL 101 Cb 0.00 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.35 1xje s VAL 101 CO 0.00 0.53 1.29 0.29 0.00 0.00 0.00 175.10 177.21 1xje n LYS 102 N 1.94 2.06 0.24 2.72 4.76 -1.26 -4.87 118.16 123.75 1xje n LYS 102 Ca -0.10 0.72 0.09 0.00 -2.87 0.00 0.00 58.31 56.16 1xje n LYS 102 Cb 0.51 -2.30 0.58 0.00 -1.84 0.00 0.00 35.03 31.98 1xje n LYS 102 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xje h HIS 103 N 2.79 0.00 0.00 2.13 3.86 -1.95 -2.34 115.15 119.64 1xje h HIS 103 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1xje h HIS 103 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1xje h HIS 103 CO 0.51 0.20 0.00 -0.40 0.86 0.00 0.00 177.93 179.10 1xje n ASP 104 N -3.73 0.00 -0.10 2.45 5.75 -1.26 -3.08 116.55 116.58 1xje n ASP 104 Ca -0.01 0.50 -0.09 0.00 -0.01 0.00 0.00 54.79 55.17 1xje n ASP 104 Cb 0.31 -0.50 -0.16 0.00 -1.03 0.00 0.00 41.12 39.74 1xje n ASP 104 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1xje n LEU 105 N -1.50 0.00 0.13 -2.12 4.77 -0.88 -4.40 117.00 112.99 1xje n LEU 105 Ca 0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1xje n LEU 105 Cb 0.11 0.48 0.15 0.00 -2.33 0.00 0.00 43.42 41.83 1xje n LEU 105 CO 0.09 0.48 0.47 -0.07 -1.33 0.00 0.00 177.39 177.03 1xje h LEU 106 N 0.00 0.03 -0.44 2.23 3.38 -1.64 -3.35 115.31 115.51 1xje h LEU 106 Ca -0.53 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1xje h LEU 106 Cb 2.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.94 1xje h LEU 106 CO 0.03 0.67 0.00 0.79 0.09 0.00 0.00 178.44 180.02 1xje n TRP 107 N -3.78 0.00 -1.51 1.13 8.01 -1.26 -3.96 117.44 116.07 1xje n TRP 107 Ca -0.01 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.84 1xje n TRP 107 Cb 0.64 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 30.02 1xje n TRP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1xje s LYS 108 N -0.50 2.31 0.25 -0.99 -2.85 -1.26 -4.86 119.74 111.84 1xje s LYS 108 Ca 0.00 1.62 -0.30 0.00 -1.00 0.00 0.00 55.97 56.29 1xje s LYS 108 Cb 0.00 -1.87 -0.14 0.00 -2.06 0.00 0.00 37.83 33.76 1xje s LYS 108 CO 0.00 -1.67 1.14 -2.30 0.10 0.00 0.00 175.35 172.62 1xje n PRO 109 N -2.70 1.46 0.30 1.78 -0.02 -1.26 -4.83 135.00 129.73 1xje n PRO 109 Ca 0.12 0.52 0.16 0.00 -2.02 0.00 0.00 63.50 62.28 1xje n PRO 109 Cb 0.51 -1.99 0.95 0.00 -0.02 0.00 0.00 33.50 32.95 1xje n PRO 109 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xje h ILE 110 N 2.42 0.46 0.00 4.25 2.10 -1.99 -1.54 117.51 123.21 1xje h ILE 110 Ca -0.42 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.52 1xje h ILE 110 Cb 1.33 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 1xje h ILE 110 CO 0.66 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.83 1xje n ASP 111 N -3.75 0.04 -0.72 2.19 5.75 -1.26 -2.12 116.55 116.67 1xje n ASP 111 Ca -0.03 0.51 0.11 0.00 -0.01 0.00 0.00 54.79 55.37 1xje n ASP 111 Cb 0.10 -0.52 0.33 0.00 -1.03 0.00 0.00 41.12 40.00 1xje n ASP 111 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xje n GLN 112 N -1.54 1.96 -2.94 0.11 6.02 -0.58 -4.93 117.38 115.48 1xje n GLN 112 Ca 0.06 -1.43 -0.41 0.00 -0.01 0.00 0.00 57.00 55.21 1xje n GLN 112 Cb 0.28 -1.43 -0.04 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.73 4.46 0.31 -1.09 -1.94 -0.90 -5.04 119.30 113.36 1xje s MET 113 Ca 0.34 1.05 0.08 0.00 -1.71 0.00 0.00 55.69 55.44 1xje s MET 113 Cb 0.19 -3.46 -0.03 0.00 2.01 0.00 0.00 34.83 33.53 1xje s MET 113 CO 0.28 -0.00 0.22 0.95 -0.01 0.00 0.00 175.02 176.46 1xje s THR 114 N 0.98 3.73 0.44 2.05 -4.23 -1.26 -4.99 115.64 112.35 1xje s THR 114 Ca 0.42 -1.47 0.19 0.00 -1.18 0.00 0.00 61.69 59.65 1xje s THR 114 Cb -0.19 -3.20 0.22 0.00 1.34 0.00 0.00 72.50 70.68 1xje s THR 114 CO 0.20 -0.24 2.02 0.25 -0.54 0.00 0.00 174.62 176.31 1xje h LEU 115 N 1.41 0.00 -0.93 4.79 5.85 -1.97 -0.27 115.31 124.19 1xje h LEU 115 Ca -0.46 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1xje h LEU 115 Cb 1.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1xje h LEU 115 CO 0.60 0.17 0.34 -0.33 -0.34 0.00 0.00 178.44 178.88 1xje h GLU 116 N 0.00 1.11 -0.20 1.25 5.08 -1.99 -1.65 114.58 118.19 1xje h GLU 116 Ca -0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1xje h GLU 116 Cb 0.33 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1xje h GLU 116 CO 0.02 0.87 0.12 -0.44 -1.00 0.00 0.00 179.01 178.59 1xje h ASP 117 N 1.09 0.21 -0.64 1.42 3.32 -1.44 -1.43 116.42 118.95 1xje h ASP 117 Ca 0.26 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1xje h ASP 117 Cb 0.15 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1xje h ASP 117 CO -0.03 0.15 0.09 1.88 -1.72 0.00 0.00 179.24 179.61 1xje h TYR 118 N 0.25 1.16 -0.72 4.55 -1.99 -1.41 -1.17 116.97 117.63 1xje h TYR 118 Ca 0.07 -0.16 -0.02 0.00 2.00 0.00 0.00 58.73 60.62 1xje h TYR 118 Cb -0.02 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.36 1xje h TYR 118 CO -0.07 0.98 0.39 0.93 -0.00 0.00 0.00 178.16 180.38 1xje h GLU 119 N 1.01 1.01 -0.27 4.88 5.08 -1.05 -0.65 114.58 124.58 1xje h GLU 119 Ca 0.20 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 1xje h GLU 119 Cb 0.46 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xje h GLU 119 CO 0.02 0.75 -0.43 1.49 -1.00 0.00 0.00 179.01 179.83 1xje h GLU 120 N 1.01 0.78 0.00 2.33 4.81 -0.97 -1.56 114.58 120.99 1xje h GLU 120 Ca 0.26 -0.47 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1xje h GLU 120 Cb 0.04 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1xje h GLU 120 CO -0.04 1.10 -0.23 0.82 -0.73 0.00 0.00 179.01 179.93 1xje h ILE 121 N 0.53 0.46 -0.79 2.32 2.04 -0.85 -1.61 117.51 119.61 1xje h ILE 121 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.99 1xje h ILE 121 Cb 1.03 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 1xje h ILE 121 CO 0.10 0.00 0.41 0.22 0.00 0.00 0.00 178.15 178.88 1xje h TYR 122 N -0.36 0.74 0.00 1.37 3.20 -1.02 -2.72 116.97 118.18 1xje h TYR 122 Ca 0.06 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 1xje h TYR 122 Cb 0.45 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1xje h TYR 122 CO -0.27 0.25 -0.51 0.00 -1.64 0.00 0.00 178.16 175.99 1xje h ARG 123 N 0.66 0.00 -0.69 1.82 3.08 -0.74 -3.31 114.38 115.20 1xje h ARG 123 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1xje h ARG 123 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1xje h ARG 123 CO -0.30 0.51 0.00 -1.13 -1.07 0.00 0.00 179.97 177.98 1xje n SER 124 N -3.88 4.00 -4.69 7.04 3.41 -0.66 -4.92 113.62 113.92 1xje n SER 124 Ca -0.01 -2.07 -0.42 0.00 -0.26 0.00 0.00 58.87 56.11 1xje n SER 124 Cb 0.53 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1xje n SER 124 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xje s ARG 125 N -1.12 4.16 0.32 4.33 0.52 -1.20 -3.54 118.95 122.42 1xje s ARG 125 Ca 0.47 2.48 0.04 0.00 -0.52 0.00 0.00 55.73 58.20 1xje s ARG 125 Cb 0.26 -3.59 0.06 0.00 0.52 0.00 0.00 34.95 32.20 1xje s ARG 125 CO 0.31 -0.79 0.44 0.27 0.02 0.00 0.00 175.30 175.54 1xje n ASN 126 N 5.60 1.00 0.00 0.23 0.23 -0.80 -4.95 115.26 116.57 1xje n ASN 126 Ca 0.17 -1.74 0.08 0.00 -0.53 0.00 0.00 54.58 52.56 1xje n ASN 126 Cb 0.39 -0.24 0.43 0.00 -2.08 0.00 0.00 39.78 38.27 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 -1.76 0.00 -0.06 -2.53 1.44 -1.26 -1.90 115.22 109.15 1xje n HIS 127 Ca 0.08 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.90 1xje n HIS 127 Cb 0.31 -0.32 0.24 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.32 3.53 -3.24 2.39 4.77 -1.26 -4.74 117.00 117.13 1xje n LEU 128 Ca 0.08 -1.77 -0.37 0.00 -0.03 0.00 0.00 56.01 53.91 1xje n LEU 128 Cb 0.15 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1xje n LEU 128 CO 0.14 0.83 3.07 1.57 -1.33 0.00 0.00 177.39 181.67 1xje n HIS 129 N 1.37 2.28 -3.75 -1.77 -0.00 -0.80 -4.91 115.22 107.65 1xje n HIS 129 Ca 0.20 -2.92 -0.37 0.00 0.46 0.00 0.00 57.72 55.09 1xje n HIS 129 Cb 0.57 -2.29 -0.11 0.00 -0.12 0.00 0.00 29.99 28.04 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 1.37 3.86 0.00 1.57 0.00 -1.25 -1.16 119.30 123.69 1xje s MET 130 Ca 0.66 -0.38 0.05 0.00 0.00 0.00 0.00 55.69 56.03 1xje s MET 130 Cb 0.19 -3.43 0.09 0.00 0.00 0.00 0.00 34.83 31.69 1xje s MET 130 CO -0.07 -0.06 0.87 1.28 0.00 0.00 0.00 175.02 177.04 1xje n LEU 131 N 4.61 1.89 -4.51 4.11 4.77 -1.26 -4.51 117.00 122.10 1xje n LEU 131 Ca -0.15 -1.45 -0.33 0.00 -0.03 0.00 0.00 56.01 54.05 1xje n LEU 131 Cb 0.52 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 1xje n LEU 131 CO 0.33 0.44 -0.42 -0.44 -1.33 0.00 0.00 177.39 175.97 1xje s SER 132 N -0.69 4.27 0.18 -1.43 0.01 -1.26 -3.40 113.70 111.38 1xje s SER 132 Ca 0.08 -0.13 0.23 0.00 1.31 0.00 0.00 55.95 57.44 1xje s SER 132 Cb 0.05 -1.00 0.12 0.00 0.21 0.00 0.00 66.02 65.39 1xje s SER 132 CO 0.07 0.34 1.15 0.00 0.41 0.00 0.00 173.24 175.21 1xje h ALA 133 N 5.36 0.53 -3.28 1.44 0.00 -1.89 -3.41 119.26 118.01 1xje h ALA 133 Ca -0.47 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.90 1xje h ALA 133 Cb 1.16 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.60 1xje h ALA 133 CO 0.51 0.00 -0.82 0.00 0.00 0.00 0.00 179.25 178.95 1xje s PHE 135 N 1.15 0.75 -0.02 0.00 0.40 0.32 -1.30 117.98 119.28 1xje s PHE 135 Ca -0.05 -0.56 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 1xje s PHE 135 Cb -0.14 -0.44 -0.00 0.00 0.51 0.00 0.00 43.02 42.94 1xje s PHE 135 CO -0.03 -0.08 -0.10 0.08 0.70 0.00 0.00 175.22 175.80 1xje s VAL 136 N -1.73 0.78 0.08 -0.44 1.01 -0.87 -1.47 120.40 117.76 1xje s VAL 136 Ca -0.06 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1xje s VAL 136 Cb -0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1xje s VAL 136 CO -0.00 0.23 -0.16 0.68 0.00 0.00 0.00 175.10 175.85 1xje s VAL 137 N -0.06 1.24 0.56 2.92 -7.23 -0.81 -1.33 120.40 115.70 1xje s VAL 137 Ca 0.01 -1.36 -0.16 0.00 -1.81 0.00 0.00 61.98 58.65 1xje s VAL 137 Cb -0.06 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1xje s VAL 137 CO -0.00 -0.20 1.04 -2.16 -0.31 0.00 0.00 175.10 173.47 1xje s PRO 138 N -1.79 3.53 -0.39 4.82 0.04 -1.26 -4.32 135.00 135.62 1xje s PRO 138 Ca -0.00 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1xje s PRO 138 Cb -0.10 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.50 1xje s PRO 138 CO 0.03 -0.63 0.18 0.08 0.04 0.00 0.00 177.00 176.70 1xje s VAL 139 N -2.48 1.31 0.73 -0.36 1.01 -1.26 -4.80 120.40 114.55 1xje s VAL 139 Ca 0.62 -2.20 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 1xje s VAL 139 Cb -0.14 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.32 1xje s VAL 139 CO 0.34 -0.81 1.08 -0.83 0.00 0.00 0.00 175.10 174.88 1xje s GLY 140 N 0.76 1.64 -1.42 4.51 0.00 -1.26 -4.47 107.32 107.09 1xje s GLY 140 Ca 0.15 -0.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.66 1xje s GLY 140 CO -0.08 0.24 2.87 1.34 0.00 0.00 0.00 173.10 177.47 1xje n ASP 141 N -3.18 8.32 -3.67 1.64 2.03 -1.26 -3.95 116.55 116.49 1xje n ASP 141 Ca 0.07 -2.72 -0.13 0.00 0.52 0.00 0.00 54.79 52.54 1xje n ASP 141 Cb 0.55 -1.49 -0.06 0.00 -0.72 0.00 0.00 41.12 39.39 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 1.68 -0.28 0.21 1.67 1.04 -1.26 -4.96 113.70 111.80 1xje s SER 142 Ca 0.66 -0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.98 1xje s SER 142 Cb 0.20 0.42 0.16 0.00 0.10 0.00 0.00 66.02 66.89 1xje s SER 142 CO -0.07 -0.66 1.87 0.40 0.98 0.00 0.00 173.24 175.75 1xje h ILE 143 N 3.01 1.21 -0.16 -1.02 1.08 -1.99 -1.17 117.51 118.46 1xje h ILE 143 Ca -0.31 -0.41 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1xje h ILE 143 Cb 1.21 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 1xje h ILE 143 CO 0.44 0.21 0.09 -0.08 -0.69 0.00 0.00 178.15 178.11 1xje h GLU 144 N 1.03 0.18 -0.37 2.37 4.57 -1.96 -1.92 114.58 118.48 1xje h GLU 144 Ca 0.28 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.35 1xje h GLU 144 Cb -0.08 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1xje h GLU 144 CO -0.06 0.12 -0.15 0.93 -1.18 0.00 0.00 179.01 178.67 1xje h GLU 145 N 0.19 0.76 -0.01 1.92 5.08 -1.78 -1.32 114.58 119.41 1xje h GLU 145 Ca 0.06 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1xje h GLU 145 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1xje h GLU 145 CO -0.03 0.93 -0.19 0.82 -1.00 0.00 0.00 179.01 179.53 1xje h ILE 146 N 0.55 0.53 0.00 3.13 2.04 -1.13 -1.19 117.51 121.44 1xje h ILE 146 Ca 0.09 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 1xje h ILE 146 Cb 0.69 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1xje h ILE 146 CO 0.05 0.00 -0.36 -0.26 0.00 0.00 0.00 178.15 177.58 1xje h PHE 147 N -0.31 0.00 -0.71 1.37 0.04 -1.34 -0.23 116.94 115.77 1xje h PHE 147 Ca 0.06 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1xje h PHE 147 Cb 0.39 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 1xje h PHE 147 CO -0.25 0.36 0.16 1.49 -0.60 0.00 0.00 178.31 179.47 1xje h GLU 148 N 0.00 1.14 -0.52 1.51 4.57 -1.17 -2.19 114.58 117.92 1xje h GLU 148 Ca -0.00 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 57.81 1xje h GLU 148 Cb 1.14 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1xje h GLU 148 CO 0.05 1.01 -0.01 0.00 -1.18 0.00 0.00 179.01 178.88 1xje h ALA 149 N 1.08 0.70 -0.49 2.92 0.00 -0.57 -0.78 119.26 122.12 1xje h ALA 149 Ca 0.22 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1xje h ALA 149 Cb 0.40 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1xje h ALA 149 CO 0.01 0.53 0.16 0.28 0.00 0.00 0.00 179.25 180.22 1xje h VAL 150 N 0.80 0.81 -0.32 0.00 2.07 -0.98 -0.15 116.25 118.48 1xje h VAL 150 Ca 0.15 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1xje h VAL 150 Cb 0.54 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1xje h VAL 150 CO 0.03 0.06 0.18 0.50 0.02 0.00 0.00 177.57 178.36 1xje h LYS 151 N 0.33 0.36 -1.00 1.57 3.64 -1.16 -2.11 116.57 118.20 1xje h LYS 151 Ca 0.24 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.67 1xje h LYS 151 Cb 0.27 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1xje h LYS 151 CO -0.26 0.24 0.64 0.93 -2.27 0.00 0.00 179.45 178.73 1xje h GLU 152 N 0.37 1.09 -0.64 1.90 5.08 -0.53 -1.06 114.58 120.80 1xje h GLU 152 Ca 0.13 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1xje h GLU 152 Cb 0.02 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1xje h GLU 152 CO -0.07 0.72 0.25 1.88 -1.00 0.00 0.00 179.01 180.79 1xje h TYR 153 N 1.13 0.95 -0.21 4.33 -1.99 -0.54 -1.69 116.97 118.94 1xje h TYR 153 Ca 0.45 -0.06 -0.10 0.00 2.00 0.00 0.00 58.73 61.02 1xje h TYR 153 Cb 0.25 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 1xje h TYR 153 CO -0.00 0.73 -0.25 0.00 -0.00 0.00 0.00 178.16 178.64 1xje h ALA 154 N 1.35 0.31 -0.82 3.88 0.00 -0.67 -1.11 119.26 122.21 1xje h ALA 154 Ca 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xje h ALA 154 Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1xje h ALA 154 CO -0.02 0.29 0.46 -0.07 0.00 0.00 0.00 179.25 179.91 1xje h LEU 155 N 0.22 1.01 -0.21 0.00 3.38 -1.12 -1.03 115.31 117.57 1xje h LEU 155 Ca 0.03 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1xje h LEU 155 Cb 0.81 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xje h LEU 155 CO 0.06 0.81 -0.23 0.40 0.09 0.00 0.00 178.44 179.58 1xje h ILE 156 N 1.13 1.33 -0.57 1.22 2.04 -1.28 -3.14 117.51 118.24 1xje h ILE 156 Ca 0.29 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1xje h ILE 156 Cb 0.02 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1xje h ILE 156 CO -0.05 0.43 0.37 0.74 0.00 0.00 0.00 178.15 179.64 1xje h THR 157 N 0.20 1.15 -0.36 -0.27 2.02 -1.07 -1.11 112.91 113.47 1xje h THR 157 Ca 0.03 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1xje h THR 157 Cb 0.78 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1xje h THR 157 CO 0.06 0.15 0.17 0.50 0.37 0.00 0.00 175.52 176.77 1xje h LYS 158 N 0.78 0.35 -0.00 6.66 3.64 -1.15 -2.58 116.57 124.27 1xje h LYS 158 Ca 0.21 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1xje h LYS 158 Cb -0.08 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1xje h LYS 158 CO -0.04 0.23 -0.00 1.33 -2.27 0.00 0.00 179.45 178.70 1xje n VAL 159 N -4.95 0.00 -0.30 2.00 0.24 -1.16 -4.14 118.33 110.03 1xje n VAL 159 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1xje n VAL 159 Cb 0.09 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 1.04 0.82 3.86 7.63 0.00 -0.97 -4.81 105.19 112.75 1xje n GLY 160 Ca 0.23 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.22 1.99 -0.17 -0.02 0.00 -0.45 -4.86 107.32 101.60 1xje s GLY 161 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 44.72 44.58 1xje s GLY 161 CO 0.00 0.16 0.11 -0.32 0.00 0.00 0.00 173.10 173.05 1xje s GLY 162 N -3.11 2.04 0.02 0.20 0.00 -0.56 -4.22 107.32 101.68 1xje s GLY 162 Ca 0.54 -0.69 0.05 0.00 0.00 0.00 0.00 44.72 44.62 1xje s GLY 162 CO 0.31 -0.07 -0.15 0.54 0.00 0.00 0.00 173.10 173.73 1xje s VAL 163 N -0.12 1.20 0.19 1.40 0.11 -0.98 -0.53 120.40 121.68 1xje s VAL 163 Ca 0.09 -0.86 0.07 0.00 -2.93 0.00 0.00 61.98 58.35 1xje s VAL 163 Cb -0.12 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.64 1xje s VAL 163 CO 0.00 0.17 -0.14 -0.83 -3.33 0.00 0.00 175.10 170.98 1xje s GLY 164 N -0.79 1.35 0.04 6.54 0.00 -0.54 -1.23 107.32 112.68 1xje s GLY 164 Ca 0.04 -1.61 -0.09 0.00 0.00 0.00 0.00 44.72 43.06 1xje s GLY 164 CO 0.01 -1.71 0.18 -0.56 0.00 0.00 0.00 173.10 171.02 1xje s SER 165 N -3.24 0.06 -0.23 1.64 0.01 -0.60 -1.92 113.70 109.41 1xje s SER 165 Ca 0.21 -0.40 -0.19 0.00 1.31 0.00 0.00 55.95 56.88 1xje s SER 165 Cb -0.00 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 1xje s SER 165 CO 0.06 -0.55 0.56 0.21 0.41 0.00 0.00 173.24 173.92 1xje s ASN 166 N -2.10 6.54 -0.02 2.44 3.84 -1.26 -1.50 114.94 122.87 1xje s ASN 166 Ca -0.05 0.66 0.18 0.00 0.21 0.00 0.00 52.86 53.86 1xje s ASN 166 Cb -0.01 -2.31 0.56 0.00 -0.55 0.00 0.00 41.25 38.94 1xje s ASN 166 CO -0.04 -0.27 1.46 0.49 -2.79 0.00 0.00 177.10 175.95 1xje n PHE 167 N 5.27 0.93 0.34 0.43 3.01 0.24 -4.44 117.46 123.24 1xje n PHE 167 Ca -0.03 -0.43 0.14 0.00 1.01 0.00 0.00 57.45 58.14 1xje n PHE 167 Cb 0.50 -0.05 0.59 0.00 -0.01 0.00 0.00 39.48 40.50 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 3.55 0.00 0.72 4.37 0.02 -1.90 -2.26 113.55 118.04 1xje h SER 168 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1xje h SER 168 Cb 0.93 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1xje h SER 168 CO 0.05 0.00 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.21 1xje h GLU 169 N 0.00 0.00 -6.46 3.45 4.39 -1.80 -3.43 114.58 110.72 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 0.36 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1xje h GLU 169 CO 0.00 0.20 0.88 -0.51 -1.16 0.00 0.00 179.01 178.42 1xje s LEU 170 N -6.97 4.35 0.49 1.33 1.43 -0.85 -4.48 118.68 113.98 1xje s LEU 170 Ca -0.01 2.35 -0.22 0.00 -1.03 0.00 0.00 54.13 55.22 1xje s LEU 170 Cb 0.11 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 1xje s LEU 170 CO 0.62 -0.78 1.19 0.00 0.23 0.00 0.00 176.35 177.61 1xje s ARG 171 N 2.13 3.56 0.82 1.70 1.70 -1.26 -4.54 118.95 123.07 1xje s ARG 171 Ca 0.68 1.82 -0.11 0.00 -0.47 0.00 0.00 55.73 57.66 1xje s ARG 171 Cb -0.37 -2.30 0.09 0.00 -0.57 0.00 0.00 34.95 31.80 1xje s ARG 171 CO 0.30 -0.73 1.12 -1.25 -1.08 0.00 0.00 175.30 173.66 1xje s PRO 172 N -2.85 1.76 0.30 3.89 0.04 -1.26 -3.90 135.00 132.98 1xje s PRO 172 Ca 0.67 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 1xje s PRO 172 Cb -0.30 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 1xje s PRO 172 CO 0.35 -2.05 1.14 1.17 0.04 0.00 0.00 177.00 177.66 1xje n LYS 173 N -3.74 1.67 -0.60 4.56 4.81 -1.26 -1.48 118.16 122.11 1xje n LYS 173 Ca 0.10 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1xje n LYS 173 Cb 0.52 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.52 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 1.16 1.73 3.77 3.14 0.00 0.04 -4.91 105.19 110.12 1xje n GLY 174 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.35 5.46 0.27 1.61 0.01 -0.55 -4.50 113.70 112.65 1xje s SER 175 Ca 0.00 2.23 -0.30 0.00 1.31 0.00 0.00 55.95 59.20 1xje s SER 175 Cb 0.00 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.54 1xje s SER 175 CO 0.00 -1.40 1.41 0.12 0.41 0.00 0.00 173.24 173.79 1xje s PHE 176 N -1.77 3.00 -0.37 2.43 5.99 -1.26 -0.22 117.98 125.78 1xje s PHE 176 Ca 0.74 1.12 -0.05 0.00 0.00 0.00 0.00 56.93 58.73 1xje s PHE 176 Cb -0.26 -3.80 0.07 0.00 0.00 0.00 0.00 43.02 39.03 1xje s PHE 176 CO 0.31 -2.51 0.15 0.08 -0.00 0.00 0.00 175.22 173.24 1xje s VAL 177 N -0.31 3.61 0.25 3.12 1.01 -0.32 -4.80 120.40 122.96 1xje s VAL 177 Ca 0.57 -1.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1xje s VAL 177 Cb -0.42 -3.20 0.08 0.00 0.00 0.00 0.00 36.38 32.84 1xje s VAL 177 CO 0.47 -0.38 1.71 0.00 0.00 0.00 0.00 175.10 176.90 1xje h ALA 178 N 8.18 1.02 0.00 5.51 0.00 -1.95 0.62 119.26 132.65 1xje h ALA 178 Ca -0.20 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xje h ALA 178 Cb 1.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xje h ALA 178 CO 0.65 0.59 0.00 0.78 0.00 0.00 0.00 179.25 181.27 1xje h GLY 179 N 0.97 0.00 0.00 0.00 0.00 -1.98 -3.10 103.07 98.96 1xje h GLY 179 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1xje h GLY 179 CO 0.04 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.28 1xje n THR 180 N -2.93 0.01 -3.30 4.70 -2.24 -1.10 -5.00 114.28 104.41 1xje n THR 180 Ca -0.01 -0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 61.22 1xje n THR 180 Cb 0.18 1.36 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.00 -1.88 -2.94 4.78 -0.00 0.16 -4.98 115.22 110.36 1xje n HIS 181 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 57.72 58.23 1xje n HIS 181 Cb 0.10 -3.47 0.00 0.00 -0.00 0.00 0.00 29.99 26.62 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 -1.31 3.85 3.19 -1.41 0.00 -0.89 -4.87 105.19 103.75 1xje n GLY 182 Ca -0.04 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 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 0.12 2.24 0.45 1.61 1.02 -1.26 -1.17 119.74 122.74 1xje s LYS 183 Ca 0.00 -0.75 -0.24 0.00 0.02 0.00 0.00 55.97 55.00 1xje s LYS 183 Cb 0.00 -1.88 -0.08 0.00 -0.52 0.00 0.00 37.83 35.35 1xje s LYS 183 CO 0.00 0.28 1.20 0.00 -0.92 0.00 0.00 175.35 175.91 1xje s ALA 184 N 0.01 3.04 0.26 5.17 0.00 0.69 -4.76 121.76 126.18 1xje s ALA 184 Ca -0.06 1.01 0.10 0.00 0.00 0.00 0.00 51.96 53.01 1xje s ALA 184 Cb -0.13 -3.41 0.33 0.00 0.00 0.00 0.00 23.12 19.90 1xje s ALA 184 CO 0.04 -0.71 1.60 0.77 0.00 0.00 0.00 175.76 177.45 1xje h SER 185 N 2.22 0.03 -4.55 0.00 0.02 -1.88 0.16 113.55 109.55 1xje h SER 185 Ca -0.49 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1xje h SER 185 Cb 1.25 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1xje h SER 185 CO 0.61 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.56 1xje n GLY 186 N 0.28 0.03 0.32 -3.77 0.00 -1.25 -4.41 105.19 96.38 1xje n GLY 186 Ca -0.01 -1.67 0.01 0.00 0.00 0.00 0.00 46.02 44.35 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 0.90 -0.77 1.61 0.13 -1.80 -2.81 132.00 129.27 1xje h PRO 187 Ca 0.00 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1xje h PRO 187 Cb 0.00 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 30.89 1xje h PRO 187 CO 0.00 0.60 0.30 0.28 -0.23 0.00 0.00 178.00 178.95 1xje h VAL 188 N 0.93 1.26 -0.61 1.56 2.07 -1.96 0.14 116.25 119.64 1xje h VAL 188 Ca 0.37 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1xje h VAL 188 Cb 0.20 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1xje h VAL 188 CO -0.18 0.33 0.14 0.28 0.02 0.00 0.00 177.57 178.16 1xje h SER 189 N 1.12 0.92 -0.45 0.57 0.02 -1.73 -2.51 113.55 111.49 1xje h SER 189 Ca 0.26 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1xje h SER 189 Cb 0.21 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1xje h SER 189 CO -0.02 0.92 -0.04 -0.26 -1.14 0.00 0.00 176.83 176.29 1xje h PHE 190 N 0.88 0.96 -0.35 3.45 0.04 -1.22 -2.95 116.94 117.75 1xje h PHE 190 Ca 0.19 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1xje h PHE 190 Cb 0.36 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1xje h PHE 190 CO 0.03 0.89 0.22 0.52 -0.60 0.00 0.00 178.31 179.37 1xje h MET 191 N 0.81 0.47 -0.73 1.51 2.86 -0.39 0.52 114.93 119.98 1xje h MET 191 Ca 0.15 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.84 1xje h MET 191 Cb 0.54 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1xje h MET 191 CO 0.03 0.32 0.48 0.45 1.06 0.00 0.00 176.91 179.25 1xje h HIS 192 N 0.48 0.70 -0.27 -0.22 3.86 -1.28 -1.38 115.15 117.04 1xje h HIS 192 Ca 0.13 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1xje h HIS 192 Cb -0.03 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.20 1xje h HIS 192 CO 0.00 0.34 -0.28 0.28 0.86 0.00 0.00 177.93 179.14 1xje h VAL 193 N 0.67 1.31 -0.91 2.45 2.07 -0.93 -1.65 116.25 119.25 1xje h VAL 193 Ca 0.33 -1.45 0.08 0.00 0.82 0.00 0.00 66.70 66.48 1xje h VAL 193 Cb 0.41 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1xje h VAL 193 CO -0.12 0.46 0.57 -0.26 0.02 0.00 0.00 177.57 178.24 1xje h PHE 194 N 0.39 1.05 -0.34 1.57 0.04 -1.11 -1.60 116.94 116.94 1xje h PHE 194 Ca 0.04 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1xje h PHE 194 Cb 0.84 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1xje h PHE 194 CO 0.07 0.50 0.08 -0.97 -0.60 0.00 0.00 178.31 177.39 1xje h ASN 195 N 1.00 0.52 -0.61 2.17 -1.24 -1.10 -2.53 115.58 113.79 1xje h ASN 195 Ca 0.41 -0.24 0.12 0.00 0.71 0.00 0.00 56.30 57.30 1xje h ASN 195 Cb 0.24 -0.14 -0.09 0.00 0.73 0.00 0.00 38.32 39.06 1xje h ASN 195 CO -0.20 0.63 0.11 0.28 -1.29 0.00 0.00 177.43 176.96 1xje h SER 196 N 0.39 -0.04 -0.51 1.15 0.02 -1.07 -0.10 113.55 113.40 1xje h SER 196 Ca 0.11 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.26 1xje h SER 196 Cb 0.31 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 1xje h SER 196 CO 0.00 -0.01 0.12 0.00 -1.14 0.00 0.00 176.83 175.79 1xje h ALA 197 N 1.50 0.59 0.00 3.77 0.00 -1.15 -2.95 119.26 121.02 1xje h ALA 197 Ca 0.32 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1xje h ALA 197 Cb 0.50 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1xje h ALA 197 CO -0.43 -0.29 -0.19 0.82 0.00 0.00 0.00 179.25 179.16 1xje h ILE 198 N 0.26 0.06 -0.12 0.00 1.08 -1.12 -2.73 117.51 114.95 1xje h ILE 198 Ca 0.26 -1.09 0.03 0.00 -0.39 0.00 0.00 64.86 63.67 1xje h ILE 198 Cb 0.34 1.96 -0.00 0.00 -3.07 0.00 0.00 36.82 36.05 1xje h ILE 198 CO -0.32 0.04 0.28 0.77 -0.69 0.00 0.00 178.15 178.23 1xje h SER 199 N 0.00 0.00 -0.21 1.72 4.64 -0.83 -2.91 113.55 115.95 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 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 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 -3.27 1.24 -4.53 0.95 0.24 -1.03 -4.99 118.33 106.93 1xje n VAL 200 Ca 0.00 -1.21 -0.22 0.00 -2.04 0.00 0.00 64.34 60.88 1xje n VAL 200 Cb 0.37 0.34 -0.15 0.00 -1.47 0.00 0.00 33.84 32.93 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 -1.39 0.97 0.18 3.34 1.01 -1.10 -5.13 120.40 118.28 1xje s VAL 201 Ca 0.20 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 1xje s VAL 201 Cb 0.13 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 35.73 1xje s VAL 201 CO 0.09 0.29 0.78 -1.59 0.00 0.00 0.00 175.10 174.67 1xje s LYS 202 N -0.06 1.37 -1.28 2.72 -2.85 -1.26 -4.28 119.74 114.10 1xje s LYS 202 Ca 0.00 -0.68 -0.11 0.00 -1.00 0.00 0.00 55.97 54.18 1xje s LYS 202 Cb -0.07 0.52 0.15 0.00 -2.06 0.00 0.00 37.83 36.37 1xje s LYS 202 CO 0.00 -0.62 1.79 0.94 0.10 0.00 0.00 175.35 177.56 1xje n GLN 203 N -0.41 3.47 0.00 1.78 7.27 -0.37 -4.61 117.38 124.51 1xje n GLN 203 Ca -0.08 -3.52 0.00 0.00 0.07 0.00 0.00 57.00 53.47 1xje n GLN 203 Cb 0.61 -3.01 0.00 0.00 2.41 0.00 0.00 30.24 30.25 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 3.37 2.38 0.20 1.69 0.00 -1.26 -1.97 105.19 109.60 1xje n GLY 204 Ca 0.41 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1xje n GLY 204 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xje h SER 205 N 4.12 0.00 -0.92 1.61 4.64 -1.98 -3.36 113.55 117.66 1xje h SER 205 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1xje h SER 205 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1xje h SER 205 CO 0.00 0.00 0.59 0.03 -0.87 0.00 0.00 176.83 176.58 1xje h ARG 206 N 0.00 1.10 -0.88 4.77 -0.00 -1.75 -3.46 114.38 114.17 1xje h ARG 206 Ca 0.00 -0.07 0.15 0.00 -0.50 0.00 0.00 59.98 59.57 1xje h ARG 206 Cb 0.83 -0.25 -0.21 0.00 0.00 0.00 0.00 29.97 30.34 1xje h ARG 206 CO 0.00 0.73 -0.04 0.50 0.00 0.00 0.00 179.97 181.16 1xje s ARG 207 N -6.08 0.40 0.86 0.04 3.52 -1.13 -5.03 118.95 111.53 1xje s ARG 207 Ca -0.13 0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 56.13 1xje s ARG 207 Cb 0.18 0.45 0.11 0.00 -1.56 0.00 0.00 34.95 34.13 1xje s ARG 207 CO 0.80 -0.35 1.14 -0.98 -0.81 0.00 0.00 175.30 175.10 1xje s ARG 208 N 2.83 1.55 0.57 5.12 1.70 -1.26 -1.23 118.95 128.22 1xje s ARG 208 Ca 0.07 0.31 -0.21 0.00 -0.47 0.00 0.00 55.73 55.43 1xje s ARG 208 Cb -0.12 -1.89 -0.04 0.00 -0.57 0.00 0.00 34.95 32.34 1xje s ARG 208 CO -0.17 -1.92 1.31 0.41 -1.08 0.00 0.00 175.30 173.85 1xje n GLY 209 N -2.49 0.62 2.66 3.88 0.00 -1.26 -4.85 105.19 103.74 1xje n GLY 209 Ca 0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1xje n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xje s ALA 210 N -1.32 0.26 0.11 4.61 0.00 -1.26 -4.92 121.76 119.23 1xje s ALA 210 Ca 0.74 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.86 1xje s ALA 210 Cb -0.41 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1xje s ALA 210 CO 0.48 -0.67 -0.22 -0.51 0.00 0.00 0.00 175.76 174.84 1xje s LEU 211 N 2.17 2.31 -0.10 0.00 1.43 -0.55 -2.32 118.68 121.62 1xje s LEU 211 Ca 0.04 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1xje s LEU 211 Cb -0.13 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.16 1xje s LEU 211 CO -0.05 0.07 -0.23 -0.32 0.23 0.00 0.00 176.35 176.05 1xje s MET 212 N -1.96 2.98 -0.11 1.70 -2.45 -0.37 -0.52 119.30 118.57 1xje s MET 212 Ca 0.08 -0.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.69 1xje s MET 212 Cb -0.10 -2.26 0.01 0.00 1.25 0.00 0.00 34.83 33.73 1xje s MET 212 CO 0.05 0.17 -0.21 0.20 1.05 0.00 0.00 175.02 176.28 1xje s GLY 213 N 0.37 1.22 -0.07 2.11 0.00 -0.30 -1.56 107.32 109.10 1xje s GLY 213 Ca -0.18 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 43.70 1xje s GLY 213 CO 0.08 -0.11 -0.23 -0.42 0.00 0.00 0.00 173.10 172.42 1xje s ILE 214 N 0.59 2.26 -0.01 0.90 1.01 -0.56 -1.76 121.20 123.63 1xje s ILE 214 Ca -0.14 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.58 1xje s ILE 214 Cb -0.17 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1xje s ILE 214 CO 0.04 0.57 -0.19 -0.22 0.00 0.00 0.00 174.94 175.14 1xje s LEU 215 N -0.14 2.05 0.33 2.97 0.20 -1.11 -0.59 118.68 122.39 1xje s LEU 215 Ca -0.04 -0.35 -0.21 0.00 0.69 0.00 0.00 54.13 54.22 1xje s LEU 215 Cb -0.14 -0.95 -0.10 0.00 -0.43 0.00 0.00 46.19 44.58 1xje s LEU 215 CO 0.04 0.22 0.84 0.20 -0.29 0.00 0.00 176.35 177.36 1xje s ASN 216 N -0.52 7.03 0.57 3.68 0.01 -1.26 -0.58 114.94 123.87 1xje s ASN 216 Ca 0.07 1.56 0.29 0.00 -0.71 0.00 0.00 52.86 54.07 1xje s ASN 216 Cb -0.07 -2.48 1.47 0.00 0.41 0.00 0.00 41.25 40.58 1xje s ASN 216 CO -0.00 -0.15 1.91 -0.29 -1.51 0.00 0.00 177.10 177.05 1xje h ILE 217 N 2.31 0.44 -0.46 0.60 6.09 -1.47 -0.97 117.51 124.04 1xje h ILE 217 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1xje h ILE 217 Cb 1.18 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.10 1xje h ILE 217 CO 0.64 0.00 0.00 -0.46 -3.07 0.00 0.00 178.15 175.26 1xje n ASN 218 N -3.89 3.22 -4.73 2.19 0.23 -1.26 -4.88 115.26 106.13 1xje n ASN 218 Ca 0.10 -1.96 -0.42 0.00 -0.53 0.00 0.00 54.58 51.77 1xje n ASN 218 Cb 0.71 -0.30 -0.03 0.00 -2.08 0.00 0.00 39.78 38.07 1xje n ASN 218 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1xje s HIS 219 N -1.39 3.14 0.56 -2.53 2.46 -0.37 -1.39 115.29 115.76 1xje s HIS 219 Ca 0.40 1.01 0.42 0.00 0.47 0.00 0.00 55.06 57.36 1xje s HIS 219 Cb 0.22 -3.75 2.28 0.00 -0.13 0.00 0.00 32.58 31.20 1xje s HIS 219 CO 0.30 -2.49 2.29 -1.35 -2.47 0.00 0.00 174.74 171.02 1xje h PRO 220 N 5.72 0.00 -0.59 2.88 0.11 -1.85 -1.88 132.00 136.39 1xje h PRO 220 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.81 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.35 1xje n ASP 221 N -2.99 3.14 -0.32 -2.05 8.00 -1.26 -4.63 116.55 116.43 1xje n ASP 221 Ca -0.03 -2.26 0.02 0.00 0.71 0.00 0.00 54.79 53.23 1xje n ASP 221 Cb 0.08 -0.45 0.16 0.00 -0.02 0.00 0.00 41.12 40.88 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 2.61 1.03 -0.42 0.53 6.09 -1.65 -1.57 117.51 124.12 1xje h ILE 222 Ca 0.00 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 63.14 1xje h ILE 222 Cb 0.98 -0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.20 1xje h ILE 222 CO 0.14 0.18 0.23 -0.33 -3.07 0.00 0.00 178.15 175.30 1xje h GLU 223 N 0.99 0.59 -0.48 2.19 5.08 -1.85 0.13 114.58 121.23 1xje h GLU 223 Ca 0.39 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 1xje h GLU 223 Cb 0.21 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1xje h GLU 223 CO -0.19 0.48 0.15 1.49 -1.00 0.00 0.00 179.01 179.94 1xje h GLU 224 N 0.55 0.30 -0.11 2.33 4.81 -1.80 -2.40 114.58 118.26 1xje h GLU 224 Ca 0.15 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1xje h GLU 224 Cb 0.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1xje h GLU 224 CO -0.02 0.20 0.02 0.35 -0.73 0.00 0.00 179.01 178.82 1xje h PHE 225 N 0.31 0.03 -0.81 0.92 3.57 -0.79 -0.65 116.94 119.52 1xje h PHE 225 Ca 0.23 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.82 1xje h PHE 225 Cb 0.26 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 1xje h PHE 225 CO -0.18 0.01 0.47 0.82 -2.23 0.00 0.00 178.31 177.20 1xje h ILE 226 N 0.06 0.94 -0.14 1.41 2.04 -0.59 -0.85 117.51 120.38 1xje h ILE 226 Ca 0.05 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1xje h ILE 226 Cb 0.04 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1xje h ILE 226 CO -0.07 0.15 0.00 0.47 0.00 0.00 0.00 178.15 178.70 1xje n ASP 227 N -4.73 1.39 0.27 1.72 8.00 -0.92 -4.53 116.55 117.76 1xje n ASP 227 Ca 0.13 -1.66 0.11 0.00 0.71 0.00 0.00 54.79 54.07 1xje n ASP 227 Cb 0.25 -0.09 0.74 0.00 -0.02 0.00 0.00 41.12 42.00 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 3.97 1.75 -2.12 2.24 0.00 0.39 -3.03 119.26 122.46 1xje h ALA 228 Ca 0.00 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 1xje h ALA 228 Cb 0.41 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.80 1xje h ALA 228 CO 0.00 0.03 -0.32 1.63 0.00 0.00 0.00 179.25 180.60 1xje n LYS 229 N -4.20 3.16 -0.77 0.00 5.02 -1.26 -4.90 118.16 115.21 1xje n LYS 229 Ca -0.03 -4.71 0.03 0.00 -2.02 0.00 0.00 58.31 51.58 1xje n LYS 229 Cb 0.11 -2.30 0.05 0.00 -0.02 0.00 0.00 35.03 32.87 1xje n LYS 229 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1xje n LYS 230 N 0.57 0.35 0.00 1.97 2.85 -1.15 -4.92 118.16 117.82 1xje n LYS 230 Ca 0.31 -1.79 0.00 0.00 -1.05 0.00 0.00 58.31 55.78 1xje n LYS 230 Cb 0.38 -0.60 0.00 0.00 -0.65 0.00 0.00 35.03 34.17 1xje n LYS 230 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1xje n VAL 237 N -0.16 0.00 -2.59 0.58 3.14 -1.26 -5.14 118.33 112.90 1xje n VAL 237 Ca 0.06 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.36 1xje n VAL 237 Cb 0.84 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.65 1xje n VAL 237 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1xje n LEU 238 N 0.00 2.60 0.30 6.55 4.77 -1.26 -4.75 117.00 125.21 1xje n LEU 238 Ca 0.00 -3.62 0.19 0.00 -0.03 0.00 0.00 56.01 52.54 1xje n LEU 238 Cb 0.00 0.22 0.88 0.00 -2.33 0.00 0.00 43.42 42.18 1xje n LEU 238 CO 0.00 1.41 1.06 -0.55 -1.33 0.00 0.00 177.39 177.97 1xje h ASN 239 N 2.52 0.00 0.14 -1.43 -0.00 -2.00 -1.81 115.58 113.00 1xje h ASN 239 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 1xje h ASN 239 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.65 1xje h ASN 239 CO 0.39 0.02 -0.22 0.49 -0.00 0.00 0.00 177.43 178.11 1xje n PHE 240 N -3.16 0.00 -3.79 4.14 3.01 -1.26 -4.89 117.46 111.52 1xje n PHE 240 Ca -0.01 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.09 1xje n PHE 240 Cb 0.22 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 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 -2.37 3.52 0.24 1.38 0.40 -0.68 -1.48 117.98 118.99 1xje s PHE 241 Ca 0.27 0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 56.92 1xje s PHE 241 Cb 0.19 -2.07 -0.08 0.00 0.51 0.00 0.00 43.02 41.58 1xje s PHE 241 CO 0.48 0.52 0.65 -0.80 0.70 0.00 0.00 175.22 176.77 1xje s ASN 242 N -0.38 6.80 -0.06 1.36 0.01 0.32 -4.97 114.94 118.03 1xje s ASN 242 Ca 0.13 1.17 0.05 0.00 -0.71 0.00 0.00 52.86 53.50 1xje s ASN 242 Cb -0.12 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 1xje s ASN 242 CO 0.02 -0.06 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.57 1xje s LEU 243 N -2.53 2.02 0.03 0.60 1.02 -1.26 -1.15 118.68 117.40 1xje s LEU 243 Ca 0.47 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 54.18 1xje s LEU 243 Cb -0.13 -1.25 -0.02 0.00 0.02 0.00 0.00 46.19 44.82 1xje s LEU 243 CO 0.19 0.20 -0.10 -0.44 0.02 0.00 0.00 176.35 176.23 1xje s SER 244 N -0.04 1.11 -0.09 2.29 0.01 -0.72 -0.61 113.70 115.64 1xje s SER 244 Ca -0.05 -0.38 -0.24 0.00 1.31 0.00 0.00 55.95 56.58 1xje s SER 244 Cb -0.14 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 1xje s SER 244 CO 0.04 -0.03 0.73 -0.69 0.41 0.00 0.00 173.24 173.70 1xje s VAL 245 N -0.82 5.00 0.01 3.43 1.01 0.41 -2.75 120.40 126.70 1xje s VAL 245 Ca -0.02 1.49 -0.18 0.00 0.00 0.00 0.00 61.98 63.27 1xje s VAL 245 Cb -0.07 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1xje s VAL 245 CO 0.01 0.19 0.50 -0.83 0.00 0.00 0.00 175.10 174.97 1xje s GLY 246 N 0.91 2.56 -0.50 4.51 0.00 0.25 -0.78 107.32 114.27 1xje s GLY 246 Ca 0.38 -0.09 0.04 0.00 0.00 0.00 0.00 44.72 45.04 1xje s GLY 246 CO 0.17 0.43 0.26 -1.36 0.00 0.00 0.00 173.10 172.60 1xje s PHE 247 N -0.72 2.92 -0.43 1.90 0.08 -0.28 -1.12 117.98 120.33 1xje s PHE 247 Ca 0.27 -3.01 0.26 0.00 0.12 0.00 0.00 56.93 54.57 1xje s PHE 247 Cb -0.18 -2.61 0.94 0.00 -0.57 0.00 0.00 43.02 40.60 1xje s PHE 247 CO 0.15 -0.75 1.77 -1.00 -0.10 0.00 0.00 175.22 175.30 1xje h PRO 248 N 6.54 0.00 -7.46 0.24 0.13 -1.92 -1.78 132.00 127.74 1xje h PRO 248 Ca -0.06 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.61 1xje h PRO 248 Cb 0.90 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.13 1xje h PRO 248 CO 0.64 0.00 0.29 0.00 -0.23 0.00 0.00 178.00 178.71 1xje s MET 249 N -3.32 1.68 0.24 0.86 0.23 -1.26 -3.48 119.30 114.25 1xje s MET 249 Ca 0.06 -0.36 -0.30 0.00 -1.03 0.00 0.00 55.69 54.06 1xje s MET 249 Cb 0.10 -2.07 -0.10 0.00 -1.53 0.00 0.00 34.83 31.22 1xje s MET 249 CO 0.51 -1.63 1.48 0.34 -2.03 0.00 0.00 175.02 173.69 1xje s ASP 250 N -4.66 6.60 0.30 -1.18 -1.08 -1.26 -4.15 116.67 111.25 1xje s ASP 250 Ca 0.65 2.70 0.05 0.00 -0.52 0.00 0.00 52.55 55.43 1xje s ASP 250 Cb -0.08 -2.62 0.70 0.00 -1.46 0.00 0.00 42.92 39.46 1xje s ASP 250 CO 0.47 -0.75 1.80 0.11 0.52 0.00 0.00 175.17 177.32 1xje h LYS 251 N 5.29 0.80 -0.55 4.34 1.57 -1.93 -1.12 116.57 124.97 1xje h LYS 251 Ca -0.46 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1xje h LYS 251 Cb 1.22 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1xje h LYS 251 CO 0.80 0.53 0.33 0.87 -0.57 0.00 0.00 179.45 181.40 1xje h LYS 252 N 0.82 0.73 -0.35 3.15 1.57 -1.91 -0.67 116.57 119.91 1xje h LYS 252 Ca 0.55 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 59.18 1xje h LYS 252 Cb 0.79 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1xje h LYS 252 CO -0.34 0.52 -0.15 1.49 -0.57 0.00 0.00 179.45 180.39 1xje h GLU 253 N 0.75 0.73 -0.09 3.15 4.81 -1.59 -1.05 114.58 121.29 1xje h GLU 253 Ca 0.20 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1xje h GLU 253 Cb -0.03 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1xje h GLU 253 CO -0.04 0.92 0.03 0.82 -0.73 0.00 0.00 179.01 180.01 1xje h ILE 254 N 0.51 1.15 -0.73 2.32 1.08 -1.10 -1.88 117.51 118.86 1xje h ILE 254 Ca 0.08 -0.44 0.05 0.00 -0.39 0.00 0.00 64.86 64.16 1xje h ILE 254 Cb 0.69 1.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.67 1xje h ILE 254 CO 0.05 0.13 0.44 0.25 -0.69 0.00 0.00 178.15 178.33 1xje h LEU 255 N -0.02 0.69 -0.56 1.44 5.85 -1.08 -0.88 115.31 120.76 1xje h LEU 255 Ca 0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1xje h LEU 255 Cb 0.17 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1xje h LEU 255 CO -0.00 0.46 0.31 0.50 -0.34 0.00 0.00 178.44 179.36 1xje h LYS 256 N 0.83 0.78 -0.52 1.25 3.64 -1.13 0.61 116.57 122.02 1xje h LYS 256 Ca 0.31 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1xje h LYS 256 Cb 0.12 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1xje h LYS 256 CO -0.15 0.59 0.32 1.25 -2.27 0.00 0.00 179.45 179.19 1xje h LEU 257 N 0.75 0.54 0.29 5.20 6.46 -1.04 -2.00 115.31 125.50 1xje h LEU 257 Ca 0.20 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1xje h LEU 257 Cb 0.04 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 1xje h LEU 257 CO -0.03 0.38 -0.24 0.22 -0.62 0.00 0.00 178.44 178.15 1xje h TYR 258 N 0.65 -0.64 -0.51 1.25 5.03 -0.80 0.75 116.97 122.70 1xje h TYR 258 Ca 0.20 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.60 1xje h TYR 258 Cb -0.02 0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.48 1xje h TYR 258 CO -0.05 -0.36 0.34 0.93 -1.32 0.00 0.00 178.16 177.70 1xje h GLU 259 N -0.54 0.29 -0.03 1.82 5.08 -0.74 -0.48 114.58 119.98 1xje h GLU 259 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xje h GLU 259 Cb 0.49 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1xje h GLU 259 CO -0.03 0.19 0.00 0.39 -1.00 0.00 0.00 179.01 178.57 1xje n GLU 260 N -4.46 1.37 -3.80 2.33 1.02 -0.77 -4.93 120.64 111.40 1xje n GLU 260 Ca 0.08 -0.54 -0.26 0.00 -0.02 0.00 0.00 57.16 56.42 1xje n GLU 260 Cb 0.36 -1.45 0.04 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.32 -3.66 -3.94 1.62 4.64 -0.19 -4.98 116.55 109.73 1xje n ASP 261 Ca 0.20 -0.76 -0.29 0.00 -1.38 0.00 0.00 54.79 52.55 1xje n ASP 261 Cb 0.23 -4.09 0.20 0.00 -1.04 0.00 0.00 41.12 36.42 1xje n ASP 261 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xje n GLY 262 N -1.67 -1.39 3.63 0.27 0.00 0.21 -4.90 105.19 101.33 1xje n GLY 262 Ca -0.09 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1xje n GLY 262 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xje s GLU 263 N -5.86 2.29 -0.10 1.61 2.02 -1.26 -1.97 118.70 115.43 1xje s GLU 263 Ca 0.75 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.71 1xje s GLU 263 Cb -0.02 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1xje s GLU 263 CO 0.52 0.49 -0.12 -1.17 0.02 0.00 0.00 175.26 175.01 1xje s LEU 264 N -2.51 2.81 -0.18 1.80 2.96 0.15 -4.83 118.68 118.88 1xje s LEU 264 Ca 0.24 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.72 1xje s LEU 264 Cb -0.10 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1xje s LEU 264 CO 0.16 0.24 0.56 -0.70 -1.32 0.00 0.00 176.35 175.29 1xje s GLU 265 N -0.08 4.23 -0.10 1.98 2.12 -1.26 -1.40 118.70 124.19 1xje s GLU 265 Ca -0.02 0.51 -0.17 0.00 0.36 0.00 0.00 54.97 55.66 1xje s GLU 265 Cb -0.14 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 1xje s GLU 265 CO 0.04 -0.12 0.43 -0.51 -0.54 0.00 0.00 175.26 174.56 1xje s LEU 266 N 1.52 4.31 0.20 2.70 1.43 0.14 -4.85 118.68 124.13 1xje s LEU 266 Ca 0.27 0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 53.94 1xje s LEU 266 Cb -0.16 -2.62 0.05 0.00 0.03 0.00 0.00 46.19 43.49 1xje s LEU 266 CO 0.10 0.09 0.68 -0.94 0.23 0.00 0.00 176.35 176.51 1xje s SER 267 N 0.23 -0.42 -0.04 2.29 1.04 -0.48 -2.44 113.70 113.88 1xje s SER 267 Ca 0.24 -0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 1xje s SER 267 Cb -0.15 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1xje s SER 267 CO 0.10 -1.11 0.16 -2.28 0.98 0.00 0.00 173.24 171.09 1xje s HIS 268 N -3.77 -0.10 -0.43 5.02 2.46 -1.26 -4.31 115.29 112.89 1xje s HIS 268 Ca 0.06 0.24 0.19 0.00 0.47 0.00 0.00 55.06 56.02 1xje s HIS 268 Cb -0.03 0.02 0.94 0.00 -0.13 0.00 0.00 32.58 33.38 1xje s HIS 268 CO -0.04 -0.16 1.58 -0.35 -2.47 0.00 0.00 174.74 173.30 1xje n PRO 269 N 2.42 0.13 -1.17 2.88 -0.04 -1.26 -2.56 135.00 135.40 1xje n PRO 269 Ca -0.16 0.53 -0.01 0.00 -0.04 0.00 0.00 63.50 63.82 1xje n PRO 269 Cb 0.58 -1.85 0.13 0.00 -0.04 0.00 0.00 33.50 32.32 1xje n PRO 269 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xje n ARG 270 N -2.12 1.79 -3.72 0.54 3.00 -1.26 -5.02 116.66 109.87 1xje n ARG 270 Ca 0.00 -3.30 -0.14 0.00 -0.01 0.00 0.00 57.85 54.40 1xje n ARG 270 Cb 0.10 -1.51 -0.08 0.00 0.00 0.00 0.00 32.46 30.96 1xje n ARG 270 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xje s SER 271 N -3.16 -0.29 0.01 0.55 0.15 -1.06 -4.70 113.70 105.20 1xje s SER 271 Ca 0.40 0.27 0.22 0.00 0.70 0.00 0.00 55.95 57.54 1xje s SER 271 Cb 0.38 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 65.09 1xje s SER 271 CO -0.06 -0.44 1.02 0.35 1.20 0.00 0.00 173.24 175.31 1xje n THR 272 N 1.40 0.04 -3.34 6.45 -2.24 -1.26 -4.59 114.28 110.73 1xje n THR 272 Ca -0.20 -0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 1xje n THR 272 Cb 0.56 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 1xje n THR 272 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1xje s ILE 273 N -3.07 4.94 0.07 2.28 -5.25 -1.26 -5.07 121.20 113.84 1xje s ILE 273 Ca 0.07 1.05 0.02 0.00 -0.99 0.00 0.00 60.65 60.80 1xje s ILE 273 Cb 0.16 -3.83 -0.03 0.00 2.95 0.00 0.00 42.46 41.71 1xje s ILE 273 CO 0.82 0.50 -0.08 0.00 -1.79 0.00 0.00 174.94 174.39 1xje s ARG 274 N -0.64 0.69 -0.02 0.37 1.70 -1.26 -4.54 118.95 115.25 1xje s ARG 274 Ca 0.27 -1.04 -0.08 0.00 -0.47 0.00 0.00 55.73 54.41 1xje s ARG 274 Cb -0.18 -0.29 0.01 0.00 -0.57 0.00 0.00 34.95 33.93 1xje s ARG 274 CO 0.15 0.03 0.18 0.21 -1.08 0.00 0.00 175.30 174.79 1xje s LYS 275 N -2.62 0.44 -0.14 3.89 2.20 -1.02 -5.00 119.74 117.48 1xje s LYS 275 Ca 0.01 -0.17 -0.04 0.00 -0.36 0.00 0.00 55.97 55.41 1xje s LYS 275 Cb -0.03 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 1xje s LYS 275 CO -0.02 -0.10 -0.01 0.15 -0.36 0.00 0.00 175.35 175.02 1xje s LYS 276 N -0.93 3.56 0.05 4.03 1.02 -1.26 0.23 119.74 126.44 1xje s LYS 276 Ca -0.10 -0.45 0.04 0.00 0.02 0.00 0.00 55.97 55.48 1xje s LYS 276 Cb -0.05 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 1xje s LYS 276 CO 0.02 0.37 -0.12 0.14 -0.92 0.00 0.00 175.35 174.84 1xje s VAL 277 N 0.04 0.92 0.01 3.17 -7.23 -0.50 -4.95 120.40 111.86 1xje s VAL 277 Ca 0.02 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 1xje s VAL 277 Cb -0.13 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.87 1xje s VAL 277 CO 0.02 -0.15 1.44 -0.54 -0.31 0.00 0.00 175.10 175.56 1xje s LYS 278 N -1.35 4.27 0.48 4.82 -0.14 -1.26 0.34 119.74 126.89 1xje s LYS 278 Ca -0.02 2.03 0.14 0.00 -1.36 0.00 0.00 55.97 56.76 1xje s LYS 278 Cb -0.09 -3.58 1.14 0.00 -1.68 0.00 0.00 37.83 33.63 1xje s LYS 278 CO 0.01 -0.60 2.08 0.97 -0.76 0.00 0.00 175.35 177.05 1xje h ILE 279 N 4.91 0.98 -0.42 2.17 6.09 -1.72 -2.36 117.51 127.16 1xje h ILE 279 Ca -0.39 -0.07 -0.10 0.00 -1.37 0.00 0.00 64.86 62.94 1xje h ILE 279 Cb 1.18 0.76 -0.02 0.00 0.47 0.00 0.00 36.82 39.21 1xje h ILE 279 CO 0.91 0.04 -0.14 0.03 -3.07 0.00 0.00 178.15 175.92 1xje h ARG 280 N 0.20 0.77 -0.36 2.19 3.08 -1.91 -0.77 114.38 117.59 1xje h ARG 280 Ca 0.11 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1xje h ARG 280 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1xje h ARG 280 CO -0.02 0.87 0.10 1.49 -1.07 0.00 0.00 179.97 181.34 1xje h GLU 281 N 0.69 0.57 -0.51 0.04 4.81 -1.85 -0.83 114.58 117.50 1xje h GLU 281 Ca 0.11 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1xje h GLU 281 Cb 0.63 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1xje h GLU 281 CO 0.04 0.60 0.26 1.25 -0.73 0.00 0.00 179.01 180.43 1xje h LEU 282 N 0.43 0.66 -0.98 1.64 5.85 -1.22 -2.22 115.31 119.46 1xje h LEU 282 Ca 0.11 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xje h LEU 282 Cb 0.28 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1xje h LEU 282 CO -0.00 0.59 0.59 -0.26 -0.34 0.00 0.00 178.44 179.01 1xje h PHE 283 N 0.68 1.24 -0.02 1.25 0.04 -1.02 -1.90 116.94 117.21 1xje h PHE 283 Ca 0.18 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.84 1xje h PHE 283 Cb 0.09 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 1xje h PHE 283 CO -0.01 0.81 -0.50 -0.09 -0.60 0.00 0.00 178.31 177.93 1xje h ARG 284 N 1.31 0.06 -0.15 1.51 2.43 -0.91 0.28 114.38 118.91 1xje h ARG 284 Ca 0.34 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1xje h ARG 284 Cb -0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1xje h ARG 284 CO -0.07 0.55 0.02 -0.22 -1.51 0.00 0.00 179.97 178.74 1xje h LYS 285 N 0.05 0.25 0.09 0.20 3.64 -0.99 0.19 116.57 120.00 1xje h LYS 285 Ca -0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1xje h LYS 285 Cb 0.90 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1xje h LYS 285 CO 0.07 0.44 -0.06 0.82 -2.27 0.00 0.00 179.45 178.46 1xje h ILE 286 N 0.02 0.88 -0.54 2.00 2.04 -1.15 -1.52 117.51 119.23 1xje h ILE 286 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1xje h ILE 286 Cb 0.32 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1xje h ILE 286 CO 0.00 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.42 1xje h ALA 287 N 0.77 0.70 -0.29 1.87 0.00 -0.83 -0.23 119.26 121.26 1xje h ALA 287 Ca -0.01 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1xje h ALA 287 Cb 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1xje h ALA 287 CO 0.01 0.26 0.01 1.15 0.00 0.00 0.00 179.25 180.68 1xje h THR 288 N 0.73 0.81 -0.69 0.00 2.02 -0.56 0.69 112.91 115.92 1xje h THR 288 Ca 0.19 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.27 1xje h THR 288 Cb 0.11 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1xje h THR 288 CO -0.02 0.02 0.17 -1.13 0.37 0.00 0.00 175.52 174.93 1xje h ASN 289 N 0.10 1.03 -0.77 4.18 -1.24 -0.85 -1.74 115.58 116.30 1xje h ASN 289 Ca 0.14 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 56.86 1xje h ASN 289 Cb 0.17 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 1xje h ASN 289 CO -0.22 0.99 0.26 0.00 -1.29 0.00 0.00 177.43 177.18 1xje h ALA 290 N 1.08 1.00 -0.67 1.57 0.00 -0.66 -0.41 119.26 121.17 1xje h ALA 290 Ca 0.22 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xje h ALA 290 Cb 0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1xje h ALA 290 CO 0.00 0.67 0.44 2.35 0.00 0.00 0.00 179.25 182.71 1xje h TRP 291 N 1.13 0.78 0.14 0.00 7.01 -0.54 0.17 115.95 124.65 1xje h TRP 291 Ca 0.25 0.02 -0.30 0.00 2.11 0.00 0.00 58.89 60.97 1xje h TRP 291 Cb 0.28 -0.26 0.03 0.00 -2.10 0.00 0.00 29.16 27.11 1xje h TRP 291 CO 0.02 0.47 -1.24 0.87 -2.79 0.00 0.00 178.44 175.77 1xje h LYS 292 N 0.82 0.59 0.00 2.65 1.57 -0.77 -3.43 116.57 118.00 1xje h LYS 292 Ca 0.26 -0.83 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1xje h LYS 292 Cb 0.03 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1xje h LYS 292 CO -0.07 1.38 0.00 -1.13 -0.57 0.00 0.00 179.45 179.06 1xje n SER 293 N -3.82 0.00 0.00 0.86 3.41 -0.21 -4.28 113.62 109.58 1xje n SER 293 Ca -0.14 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1xje n SER 293 Cb 0.99 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 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 0.21 1.68 3.31 5.00 0.00 0.59 -4.94 105.19 111.04 1xje n GLY 294 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.31 2.59 0.41 1.61 1.11 -1.26 -4.53 116.67 113.29 1xje s ASP 295 Ca 0.00 -0.79 -0.03 0.00 0.18 0.00 0.00 52.55 51.91 1xje s ASP 295 Cb 0.00 -0.15 -0.04 0.00 1.07 0.00 0.00 42.92 43.81 1xje s ASP 295 CO 0.00 -0.00 0.68 -2.16 1.18 0.00 0.00 175.17 174.86 1xje s PRO 296 N -2.42 3.53 0.51 8.23 0.04 -1.26 -2.37 135.00 141.25 1xje s PRO 296 Ca 0.12 -0.02 -0.09 0.00 0.04 0.00 0.00 61.00 61.05 1xje s PRO 296 Cb -0.07 -2.51 0.12 0.00 0.04 0.00 0.00 34.50 32.08 1xje s PRO 296 CO 0.05 -0.04 0.68 0.41 0.04 0.00 0.00 177.00 178.15 1xje n GLY 297 N -1.98 -1.35 3.33 0.56 0.00 0.22 -4.74 105.19 101.23 1xje n GLY 297 Ca -0.02 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 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 2.37 -0.28 0.99 1.43 -0.72 -0.44 118.68 122.03 1xje s LEU 298 Ca 0.39 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1xje s LEU 298 Cb -0.01 -1.47 0.07 0.00 0.03 0.00 0.00 46.19 44.80 1xje s LEU 298 CO 0.27 0.23 -0.07 0.00 0.23 0.00 0.00 176.35 177.01 1xje s ALA 299 N -0.08 2.65 -1.25 4.21 0.00 0.04 -1.13 121.76 126.20 1xje s ALA 299 Ca -0.04 -1.90 -0.13 0.00 0.00 0.00 0.00 51.96 49.89 1xje s ALA 299 Cb -0.14 -1.69 0.16 0.00 0.00 0.00 0.00 23.12 21.45 1xje s ALA 299 CO 0.04 -1.29 1.62 1.19 0.00 0.00 0.00 175.76 177.32 1xje n PHE 300 N 4.42 4.26 -0.33 0.00 3.72 0.15 -1.13 117.46 128.55 1xje n PHE 300 Ca -0.11 -3.13 -0.02 0.00 -0.05 0.00 0.00 57.45 54.14 1xje n PHE 300 Cb 0.42 -2.15 0.11 0.00 -0.94 0.00 0.00 39.48 36.93 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 9.29 0.97 -0.59 4.37 3.38 -1.62 -1.70 115.31 129.42 1xje h LEU 301 Ca 0.36 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.41 1xje h LEU 301 Cb 0.79 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1xje h LEU 301 CO 1.40 0.68 0.21 1.23 0.09 0.00 0.00 178.44 182.05 1xje h GLY 302 N 1.14 0.81 1.95 0.83 0.00 -1.39 -0.85 103.07 105.56 1xje h GLY 302 Ca 0.35 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 1xje h GLY 302 CO -0.11 -0.01 -0.31 -2.09 0.00 0.00 0.00 176.54 174.02 1xje h GLU 303 N 0.40 0.06 -0.18 4.80 4.57 -1.57 -0.14 114.58 122.52 1xje h GLU 303 Ca 0.29 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.34 1xje h GLU 303 Cb 0.35 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1xje h GLU 303 CO -0.30 0.36 -0.31 0.52 -1.18 0.00 0.00 179.01 178.11 1xje h MET 304 N 0.05 0.53 -0.14 1.92 2.86 -0.82 -3.01 114.93 116.32 1xje h MET 304 Ca 0.01 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.26 1xje h MET 304 Cb 0.57 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1xje h MET 304 CO 0.04 0.93 -0.18 -0.91 1.06 0.00 0.00 176.91 177.85 1xje h ASN 305 N 0.18 0.22 -0.99 1.22 2.35 -0.88 -1.68 115.58 116.00 1xje h ASN 305 Ca 0.01 -0.05 0.21 0.00 -0.55 0.00 0.00 56.30 55.92 1xje h ASN 305 Cb 0.90 -0.06 -0.11 0.00 0.05 0.00 0.00 38.32 39.10 1xje h ASN 305 CO 0.07 0.42 0.58 0.50 -1.65 0.00 0.00 177.43 177.35 1xje h LYS 306 N 0.21 0.65 -0.39 0.81 3.64 -0.89 -2.42 116.57 118.19 1xje h LYS 306 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xje h LYS 306 Cb 0.45 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1xje h LYS 306 CO 0.03 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.30 1xje n TYR 307 N -4.83 0.52 -2.60 1.91 4.01 -0.98 -4.95 117.16 110.24 1xje n TYR 307 Ca 0.24 -0.41 -0.43 0.00 -0.16 0.00 0.00 57.90 57.14 1xje n TYR 307 Cb 0.62 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.61 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 -1.05 2.99 -0.31 -0.72 5.04 -0.67 -4.70 117.35 117.93 1xje s TYR 308 Ca 0.29 1.01 0.21 0.00 -2.44 0.00 0.00 57.07 56.14 1xje s TYR 308 Cb 0.16 -3.95 1.07 0.00 0.35 0.00 0.00 41.96 39.58 1xje s TYR 308 CO 0.21 -1.03 1.64 -2.30 -1.34 0.00 0.00 175.55 172.73 1xje n PRO 309 N 7.23 0.14 -0.11 4.97 -0.02 -1.26 -2.25 135.00 143.70 1xje n PRO 309 Ca 0.12 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.27 1xje n PRO 309 Cb 0.48 -1.91 0.14 0.00 -0.02 0.00 0.00 33.50 32.19 1xje n PRO 309 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xje n LEU 310 N -2.21 2.93 -4.77 2.45 4.77 -1.26 -0.36 117.00 118.54 1xje n LEU 310 Ca -0.00 -1.37 -0.38 0.00 -0.03 0.00 0.00 56.01 54.23 1xje n LEU 310 Cb 0.08 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1xje n LEU 310 CO 0.12 0.61 0.63 -0.47 -1.33 0.00 0.00 177.39 176.94 1xje s TYR 311 N -1.35 3.79 -2.07 -1.77 5.04 -0.95 -0.85 117.35 119.18 1xje s TYR 311 Ca 0.28 1.79 0.12 0.00 -2.44 0.00 0.00 57.07 56.83 1xje s TYR 311 Cb 0.17 -2.91 0.51 0.00 0.35 0.00 0.00 41.96 40.08 1xje s TYR 311 CO 0.25 0.31 1.36 -0.35 -1.34 0.00 0.00 175.55 175.77 1xje n PRO 312 N 0.89 1.45 -0.31 4.97 -0.04 -1.26 -4.89 135.00 135.82 1xje n PRO 312 Ca 0.00 -0.69 0.02 0.00 -0.04 0.00 0.00 63.50 62.79 1xje n PRO 312 Cb 0.49 -1.25 0.21 0.00 -0.04 0.00 0.00 33.50 32.91 1xje n PRO 312 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xje h HIS 313 N 1.23 1.09 -3.36 0.54 3.86 -1.44 -3.42 115.15 113.65 1xje h HIS 313 Ca 0.00 0.03 -0.36 0.00 -1.16 0.00 0.00 60.37 58.87 1xje h HIS 313 Cb 0.28 -0.36 -0.14 0.00 1.06 0.00 0.00 27.41 28.24 1xje h HIS 313 CO 0.10 0.62 -0.67 1.03 0.86 0.00 0.00 177.93 179.87 1xje s ARG 314 N -5.95 1.26 -0.11 2.45 0.52 -0.03 -5.15 118.95 111.95 1xje s ARG 314 Ca -0.12 -1.62 -0.09 0.00 -0.52 0.00 0.00 55.73 53.39 1xje s ARG 314 Cb 0.19 -0.60 0.03 0.00 0.52 0.00 0.00 34.95 35.09 1xje s ARG 314 CO 0.80 -0.06 0.27 0.21 0.02 0.00 0.00 175.30 176.54 1xje s LYS 315 N -3.84 0.30 -0.30 3.54 2.20 -1.26 -3.52 119.74 116.86 1xje s LYS 315 Ca 0.26 0.42 -0.19 0.00 -0.36 0.00 0.00 55.97 56.10 1xje s LYS 315 Cb 0.05 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 1xje s LYS 315 CO 0.07 -0.07 0.57 0.42 -0.36 0.00 0.00 175.35 175.98 1xje s ILE 316 N 0.40 5.00 -0.39 5.43 1.01 -1.26 -4.21 121.20 127.18 1xje s ILE 316 Ca -0.02 0.79 0.13 0.00 0.00 0.00 0.00 60.65 61.55 1xje s ILE 316 Cb -0.04 -3.93 -0.17 0.00 0.01 0.00 0.00 42.46 38.34 1xje s ILE 316 CO -0.02 -0.07 0.45 0.59 0.00 0.00 0.00 174.94 175.90 1xje n ASN 317 N 5.73 1.12 -3.59 3.58 3.02 -1.24 -4.87 115.26 119.01 1xje n ASN 317 Ca -0.03 -0.50 -0.10 0.00 -0.03 0.00 0.00 54.58 53.92 1xje n ASN 317 Cb 0.49 1.23 -0.03 0.00 -0.61 0.00 0.00 39.78 40.86 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 -2.71 -0.41 0.40 6.41 0.15 -1.26 -4.45 113.70 111.83 1xje s SER 318 Ca 0.01 -0.25 0.08 0.00 0.70 0.00 0.00 55.95 56.49 1xje s SER 318 Cb 0.09 0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 65.00 1xje s SER 318 CO 0.54 -1.05 0.43 0.42 1.20 0.00 0.00 173.24 174.78 1xje s THR 319 N -3.81 2.91 1.08 6.45 -4.23 -1.26 -1.60 115.64 115.18 1xje s THR 319 Ca 0.05 -1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 1xje s THR 319 Cb -0.02 -3.04 0.24 0.00 1.34 0.00 0.00 72.50 71.02 1xje s THR 319 CO -0.07 -0.03 1.18 0.54 -0.54 0.00 0.00 174.62 175.70 1xje s ASN 320 N -4.18 2.02 0.28 3.99 4.22 -1.12 -4.05 114.94 116.10 1xje s ASN 320 Ca 0.49 0.59 -0.00 0.00 -2.14 0.00 0.00 52.86 51.80 1xje s ASN 320 Cb -0.06 -0.84 0.65 0.00 1.28 0.00 0.00 41.25 42.28 1xje s ASN 320 CO 0.29 -3.44 1.63 -0.65 -2.04 0.00 0.00 177.10 172.89 1xje h PRO 321 N -2.12 0.14 -0.58 3.55 0.11 -1.81 -2.68 132.00 128.61 1xje h PRO 321 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xje h PRO 321 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xje h PRO 321 CO 0.40 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 1xje n GLY 323 N 1.44 1.99 0.19 0.00 0.00 -1.01 -4.60 105.19 103.20 1xje n GLY 323 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 2.68 0.00 -5.03 1.61 9.09 -1.82 -3.41 114.58 117.70 1xje h GLU 324 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 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 0.21 -0.83 0.42 0.05 0.00 0.00 179.01 178.86 1xje s ILE 325 N -3.15 2.31 -0.23 -1.06 -1.09 -1.26 -0.89 121.20 115.83 1xje s ILE 325 Ca 0.05 -0.91 -0.28 0.00 -2.23 0.00 0.00 60.65 57.28 1xje s ILE 325 Cb 0.06 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.93 1xje s ILE 325 CO 0.69 0.47 0.98 -0.83 -1.23 0.00 0.00 174.94 175.02 1xje s GLY 326 N 1.31 1.75 0.02 6.18 0.00 -1.26 -2.79 107.32 112.53 1xje s GLY 326 Ca 0.04 0.10 0.09 0.00 0.00 0.00 0.00 44.72 44.94 1xje s GLY 326 CO -0.11 2.06 -0.26 1.08 0.00 0.00 0.00 173.10 175.88 1xje s LEU 327 N 3.03 2.15 0.85 0.66 1.43 -0.63 -5.00 118.68 121.18 1xje s LEU 327 Ca 0.41 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 1xje s LEU 327 Cb -0.15 -1.32 0.11 0.00 0.03 0.00 0.00 46.19 44.85 1xje s LEU 327 CO 0.07 0.29 1.20 -0.94 0.23 0.00 0.00 176.35 177.19 1xje s SER 328 N -0.99 4.10 0.13 2.29 1.04 -1.26 -3.67 113.70 115.34 1xje s SER 328 Ca 0.11 0.72 -0.33 0.00 0.48 0.00 0.00 55.95 56.93 1xje s SER 328 Cb -0.10 -1.15 -0.13 0.00 0.10 0.00 0.00 66.02 64.75 1xje s SER 328 CO 0.01 -2.16 1.71 0.47 0.98 0.00 0.00 173.24 174.25 1xje n ASP 329 N -3.47 3.53 0.00 7.02 10.43 -1.26 -1.34 116.55 131.46 1xje n ASP 329 Ca 0.09 1.04 0.00 0.00 2.57 0.00 0.00 54.79 58.49 1xje n ASP 329 Cb 0.60 -1.47 0.00 0.00 1.84 0.00 0.00 41.12 42.09 1xje n ASP 329 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1xje n TYR 330 N 4.48 0.00 -3.03 1.24 4.01 -0.44 -4.97 117.16 118.45 1xje n TYR 330 Ca 0.18 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.56 1xje n TYR 330 Cb 0.32 -1.04 -0.06 0.00 -0.31 0.00 0.00 39.34 38.25 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 -1.01 4.27 0.34 -0.72 2.12 -0.45 -4.14 118.70 119.12 1xje s GLU 331 Ca 0.00 0.94 0.03 0.00 0.36 0.00 0.00 54.97 56.30 1xje s GLU 331 Cb 0.00 -2.74 -0.05 0.00 0.26 0.00 0.00 34.13 31.60 1xje s GLU 331 CO 0.00 0.30 0.09 0.00 -0.54 0.00 0.00 175.26 175.11 1xje s ALA 332 N -1.67 2.42 -0.21 6.30 0.00 -1.26 -2.05 121.76 125.30 1xje s ALA 332 Ca 0.48 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 1xje s ALA 332 Cb -0.15 0.76 0.07 0.00 0.00 0.00 0.00 23.12 23.79 1xje s ALA 332 CO 0.20 -0.34 0.51 0.00 0.00 0.00 0.00 175.76 176.13 1xje s ASN 334 N 1.55 6.48 0.34 0.00 4.22 -1.26 -2.79 114.94 123.48 1xje s ASN 334 Ca -0.09 0.57 0.09 0.00 -2.14 0.00 0.00 52.86 51.29 1xje s ASN 334 Cb -0.07 -2.11 -0.06 0.00 1.28 0.00 0.00 41.25 40.29 1xje s ASN 334 CO -0.15 0.38 -0.02 -0.76 -2.04 0.00 0.00 177.10 174.51 1xje s LEU 335 N -1.10 2.90 -0.02 3.54 1.43 -1.26 -1.93 118.68 122.24 1xje s LEU 335 Ca 0.18 -1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 51.92 1xje s LEU 335 Cb -0.13 -1.23 0.11 0.00 0.03 0.00 0.00 46.19 44.97 1xje s LEU 335 CO 0.07 -0.23 0.92 -0.83 0.23 0.00 0.00 176.35 176.51 1xje s GLY 336 N -3.68 -0.44 0.00 -3.19 0.00 -0.87 -0.71 107.32 98.43 1xje s GLY 336 Ca 0.34 1.07 0.01 0.00 0.00 0.00 0.00 44.72 46.14 1xje s GLY 336 CO 0.18 0.35 -0.04 -0.56 0.00 0.00 0.00 173.10 173.04 1xje s SER 337 N -2.45 0.47 -0.16 1.64 0.01 -0.54 -0.89 113.70 111.78 1xje s SER 337 Ca 0.06 -0.13 -0.18 0.00 1.31 0.00 0.00 55.95 57.00 1xje s SER 337 Cb -0.01 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 1xje s SER 337 CO -0.08 0.01 0.47 -0.63 0.41 0.00 0.00 173.24 173.42 1xje s ILE 338 N -0.27 5.17 -0.94 1.44 1.01 0.04 -1.57 121.20 126.08 1xje s ILE 338 Ca -0.00 0.91 -0.24 0.00 0.00 0.00 0.00 60.65 61.31 1xje s ILE 338 Cb -0.03 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.68 1xje s ILE 338 CO -0.00 0.27 1.41 -0.62 0.00 0.00 0.00 174.94 176.00 1xje s ASP 339 N 0.85 6.38 0.34 3.58 2.15 -0.54 -0.78 116.67 128.65 1xje s ASP 339 Ca 0.24 -1.15 0.27 0.00 0.43 0.00 0.00 52.55 52.33 1xje s ASP 339 Cb -0.15 -2.57 1.09 0.00 -0.30 0.00 0.00 42.92 40.99 1xje s ASP 339 CO 0.09 -1.63 1.79 -0.37 -0.17 0.00 0.00 175.17 174.89 1xje h VAL 340 N 6.60 0.00 -0.24 1.11 -1.51 -1.62 -2.37 116.25 118.21 1xje h VAL 340 Ca 0.06 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1xje h VAL 340 Cb 1.02 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1xje h VAL 340 CO 1.38 0.00 0.16 0.00 -1.23 0.00 0.00 177.57 177.88 1xje h ALA 341 N 2.19 1.84 0.00 5.19 0.00 -1.75 -1.34 119.26 125.40 1xje h ALA 341 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xje h ALA 341 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xje h ALA 341 CO 0.00 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.03 1xje n LYS 342 N -4.50 0.07 -0.19 0.00 5.02 -0.89 -3.12 118.16 114.56 1xje n LYS 342 Ca 0.01 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1xje n LYS 342 Cb 0.08 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.44 0.49 -2.06 2.13 3.01 -0.50 -4.93 117.46 114.15 1xje n PHE 343 Ca 0.06 -0.24 -0.42 0.00 1.01 0.00 0.00 57.45 57.85 1xje n PHE 343 Cb 0.19 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.64 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 -1.51 3.11 -0.28 1.38 5.04 -1.18 -0.69 117.35 123.23 1xje s TYR 344 Ca 0.39 0.96 -0.01 0.00 -2.44 0.00 0.00 57.07 55.97 1xje s TYR 344 Cb 0.23 -3.78 0.13 0.00 0.35 0.00 0.00 41.96 38.89 1xje s TYR 344 CO 0.32 -2.63 0.29 1.21 -1.34 0.00 0.00 175.55 173.40 1xje s ASN 345 N 0.66 1.49 -1.25 4.32 3.84 0.16 -4.88 114.94 119.29 1xje s ASN 345 Ca 0.62 -0.60 -0.01 0.00 0.21 0.00 0.00 52.86 53.08 1xje s ASN 345 Cb -0.40 0.55 -0.00 0.00 -0.55 0.00 0.00 41.25 40.85 1xje s ASN 345 CO 0.37 -0.37 0.83 0.59 -2.79 0.00 0.00 177.10 175.73 1xje n ASN 346 N 5.32 -1.87 0.00 -4.21 5.03 -1.26 -2.33 115.26 115.93 1xje n ASN 346 Ca -0.03 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.68 1xje n ASN 346 Cb 0.47 -4.52 0.00 0.00 -1.02 0.00 0.00 39.78 34.71 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 -1.38 0.90 3.12 7.41 0.00 -1.26 -5.04 105.19 108.94 1xje n GLY 347 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.70 0.62 0.07 1.61 0.40 -0.99 -4.99 117.98 112.00 1xje s PHE 348 Ca 0.00 -1.09 -0.25 0.00 -0.60 0.00 0.00 56.93 54.99 1xje s PHE 348 Cb 0.00 -0.39 -0.06 0.00 0.51 0.00 0.00 43.02 43.07 1xje s PHE 348 CO 0.00 -0.45 0.75 0.08 0.70 0.00 0.00 175.22 176.30 1xje s VAL 349 N -3.96 4.66 -0.97 -0.44 1.01 -1.26 -0.66 120.40 118.77 1xje s VAL 349 Ca 0.13 1.61 -0.24 0.00 0.00 0.00 0.00 61.98 63.49 1xje s VAL 349 Cb 0.08 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.39 1xje s VAL 349 CO -0.06 0.41 1.48 -0.62 0.00 0.00 0.00 175.10 176.31 1xje s ASP 350 N -0.34 6.32 0.43 3.32 -1.08 0.14 -4.81 116.67 120.65 1xje s ASP 350 Ca 0.37 -1.25 0.23 0.00 -0.52 0.00 0.00 52.55 51.39 1xje s ASP 350 Cb -0.21 -2.57 0.82 0.00 -1.46 0.00 0.00 42.92 39.51 1xje s ASP 350 CO 0.23 -1.67 1.78 -0.07 0.52 0.00 0.00 175.17 175.97 1xje h LEU 351 N 13.33 0.00 0.16 -1.34 3.38 -1.94 -1.53 115.31 127.37 1xje h LEU 351 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xje h LEU 351 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1xje h LEU 351 CO 1.39 0.24 -0.11 -0.08 0.09 0.00 0.00 178.44 179.97 1xje h GLU 352 N 0.00 -0.27 0.03 1.13 4.81 -1.87 -1.86 114.58 116.56 1xje h GLU 352 Ca -0.00 0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.01 1xje h GLU 352 Cb 0.81 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1xje h GLU 352 CO 0.03 -0.18 -1.01 0.00 -0.73 0.00 0.00 179.01 177.12 1xje h ALA 353 N 0.55 0.31 -0.73 2.92 0.00 -1.47 -3.18 119.26 117.66 1xje h ALA 353 Ca -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 1xje h ALA 353 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xje h ALA 353 CO -0.00 0.86 0.40 1.25 0.00 0.00 0.00 179.25 181.77 1xje h LEU 354 N 0.18 0.91 -0.94 0.00 5.85 -1.28 -2.44 115.31 117.59 1xje h LEU 354 Ca -0.09 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1xje h LEU 354 Cb 1.67 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1xje h LEU 354 CO 0.17 0.74 0.32 -0.61 -0.34 0.00 0.00 178.44 178.72 1xje h GLN 355 N 1.00 1.09 -0.36 1.25 4.15 -1.35 -0.94 115.11 119.96 1xje h GLN 355 Ca 0.26 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1xje h GLN 355 Cb 0.03 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1xje h GLN 355 CO -0.04 0.87 -0.04 0.93 -1.93 0.00 0.00 178.83 178.61 1xje h GLU 356 N 1.07 0.58 0.02 1.69 5.08 -1.50 -2.36 114.58 119.16 1xje h GLU 356 Ca 0.25 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 1xje h GLU 356 Cb 0.17 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1xje h GLU 356 CO -0.03 0.64 -0.94 1.25 -1.00 0.00 0.00 179.01 178.93 1xje h LEU 357 N 0.55 0.25 -0.56 1.33 5.85 -0.96 -2.20 115.31 119.57 1xje h LEU 357 Ca 0.11 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1xje h LEU 357 Cb 0.42 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1xje h LEU 357 CO 0.02 1.06 0.36 0.58 -0.34 0.00 0.00 178.44 180.12 1xje h VAL 358 N 0.09 1.11 -0.14 1.05 2.07 -0.94 0.13 116.25 119.62 1xje h VAL 358 Ca -0.05 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1xje h VAL 358 Cb 1.60 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1xje h VAL 358 CO 0.14 0.13 0.05 1.56 0.02 0.00 0.00 177.57 179.48 1xje h GLN 359 N 0.72 0.12 -0.21 1.57 4.20 -1.30 -1.58 115.11 118.63 1xje h GLN 359 Ca 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1xje h GLN 359 Cb -0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1xje h GLN 359 CO -0.07 0.08 0.10 0.82 -0.67 0.00 0.00 178.83 179.09 1xje h ILE 360 N 0.12 1.14 -0.72 2.54 2.04 -1.08 -2.98 117.51 118.57 1xje h ILE 360 Ca 0.06 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1xje h ILE 360 Cb 0.03 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1xje h ILE 360 CO -0.05 0.14 0.46 0.00 0.00 0.00 0.00 178.15 178.70 1xje h ALA 361 N 0.96 0.91 -0.77 1.87 0.00 -0.60 0.57 119.26 122.20 1xje h ALA 361 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1xje h ALA 361 Cb 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xje h ALA 361 CO -0.01 0.35 0.26 0.28 0.00 0.00 0.00 179.25 180.13 1xje h VAL 362 N 0.97 1.26 -0.45 0.00 2.07 -1.32 -0.49 116.25 118.30 1xje h VAL 362 Ca 0.26 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1xje h VAL 362 Cb -0.09 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1xje h VAL 362 CO -0.05 0.35 0.01 -0.09 0.02 0.00 0.00 177.57 177.81 1xje h ARG 363 N 1.14 0.79 -0.14 1.57 2.43 -1.27 -0.91 114.38 117.98 1xje h ARG 363 Ca 0.25 -0.24 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1xje h ARG 363 Cb 0.28 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 1xje h ARG 363 CO -0.01 0.84 -0.31 0.35 -1.51 0.00 0.00 179.97 179.33 1xje h PHE 364 N 0.64 -0.85 -0.58 2.20 3.04 -0.74 -0.67 116.94 119.98 1xje h PHE 364 Ca 0.13 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 1xje h PHE 364 Cb 0.48 0.39 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 1xje h PHE 364 CO 0.04 -0.39 0.03 -0.07 -2.02 0.00 0.00 178.31 175.90 1xje h LEU 365 N -0.38 0.96 -0.81 0.59 3.38 -0.93 -1.89 115.31 116.22 1xje h LEU 365 Ca 0.10 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1xje h LEU 365 Cb 0.53 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1xje h LEU 365 CO -0.35 0.99 -0.09 -0.78 0.09 0.00 0.00 178.44 178.31 1xje h ASP 366 N 0.91 0.79 -0.88 -0.43 3.58 -1.02 -2.95 116.42 116.42 1xje h ASP 366 Ca 0.17 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1xje h ASP 366 Cb 0.49 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1xje h ASP 366 CO 0.02 0.91 0.51 0.78 -2.88 0.00 0.00 179.24 178.57 1xje h ASN 367 N 0.73 1.08 -0.79 2.28 4.21 -0.82 -3.00 115.58 119.27 1xje h ASN 367 Ca 0.13 -0.08 0.17 0.00 1.21 0.00 0.00 56.30 57.73 1xje h ASN 367 Cb 0.57 -0.27 -0.11 0.00 -1.12 0.00 0.00 38.32 37.38 1xje h ASN 367 CO 0.03 0.85 0.27 0.58 -1.29 0.00 0.00 177.43 177.87 1xje h VAL 368 N 1.22 0.54 -0.84 2.81 2.07 -1.17 -0.05 116.25 120.83 1xje h VAL 368 Ca 0.31 -0.12 0.18 0.00 0.82 0.00 0.00 66.70 67.89 1xje h VAL 368 Cb -0.01 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 29.81 1xje h VAL 368 CO -0.05 0.06 0.37 0.40 0.02 0.00 0.00 177.57 178.37 1xje h ILE 369 N 0.35 0.60 0.00 4.57 2.04 -1.57 -0.86 117.51 122.64 1xje h ILE 369 Ca 0.45 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 66.13 1xje h ILE 369 Cb 0.78 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1xje h ILE 369 CO -0.49 0.09 -0.10 0.44 0.00 0.00 0.00 178.15 178.09 1xje h ASP 370 N 0.47 0.00 -0.26 1.72 3.32 -1.11 -2.94 116.42 117.62 1xje h ASP 370 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1xje h ASP 370 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1xje h ASP 370 CO -0.45 0.10 0.00 1.33 -1.72 0.00 0.00 179.24 178.50 1xje n VAL 371 N -3.22 0.75 -3.00 -1.35 0.24 -0.70 -4.98 118.33 106.07 1xje n VAL 371 Ca 0.01 -0.88 -0.39 0.00 -2.04 0.00 0.00 64.34 61.04 1xje n VAL 371 Cb 0.39 0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 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 -0.98 7.33 -0.16 -1.34 3.84 -0.41 -4.94 114.94 118.28 1xje s ASN 372 Ca 0.20 1.57 0.01 0.00 0.21 0.00 0.00 52.86 54.86 1xje s ASN 372 Cb 0.11 -2.48 0.02 0.00 -0.55 0.00 0.00 41.25 38.35 1xje s ASN 372 CO 0.15 0.17 -0.19 -0.69 -2.79 0.00 0.00 177.10 173.75 1xje s VAL 373 N -0.90 1.95 0.22 -5.21 1.01 -0.31 -5.01 120.40 112.14 1xje s VAL 373 Ca 0.36 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1xje s VAL 373 Cb -0.22 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1xje s VAL 373 CO 0.25 0.52 0.38 -0.36 0.00 0.00 0.00 175.10 175.89 1xje s PHE 374 N 1.15 3.48 -1.81 5.22 0.40 -1.26 -3.75 117.98 121.40 1xje s PHE 374 Ca 0.00 0.18 0.31 0.00 -0.60 0.00 0.00 56.93 56.82 1xje s PHE 374 Cb -0.14 -1.73 1.63 0.00 0.51 0.00 0.00 43.02 43.29 1xje s PHE 374 CO -0.08 0.40 2.09 -0.35 0.70 0.00 0.00 175.22 177.97 1xje n PRO 375 N -1.00 0.83 -3.70 0.24 -0.04 -1.26 -4.81 135.00 125.26 1xje n PRO 375 Ca -0.07 -0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1xje n PRO 375 Cb 0.55 -1.50 -0.14 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 -2.24 -0.19 0.28 0.52 1.01 -1.26 -5.06 121.20 114.25 1xje s ILE 376 Ca 0.39 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 1xje s ILE 376 Cb 0.21 -0.34 0.28 0.00 0.01 0.00 0.00 42.46 42.62 1xje s ILE 376 CO 0.41 0.10 1.87 0.44 0.00 0.00 0.00 174.94 177.76 1xje h ASP 377 N 7.78 0.99 -0.15 3.58 3.32 -2.00 -1.97 116.42 127.97 1xje h ASP 377 Ca -0.28 0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.82 1xje h ASP 377 Cb 1.13 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1xje h ASP 377 CO 0.27 0.60 0.11 0.11 -1.72 0.00 0.00 179.24 178.61 1xje h LYS 378 N 1.11 0.06 -0.08 3.56 1.57 -1.97 -1.70 116.57 119.13 1xje h LYS 378 Ca 0.45 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.14 1xje h LYS 378 Cb 0.27 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1xje h LYS 378 CO -0.20 0.04 -0.30 0.82 -0.57 0.00 0.00 179.45 179.24 1xje h ILE 379 N 0.06 1.42 -0.54 1.86 2.04 -1.51 -2.34 117.51 118.50 1xje h ILE 379 Ca 0.07 -1.68 0.10 0.00 1.00 0.00 0.00 64.86 64.34 1xje h ILE 379 Cb 0.20 2.29 -0.08 0.00 -0.74 0.00 0.00 36.82 38.49 1xje h ILE 379 CO -0.01 0.48 0.10 0.74 0.00 0.00 0.00 178.15 179.47 1xje h THR 380 N -0.15 0.69 0.44 -0.27 2.02 -1.33 -1.05 112.91 113.26 1xje h THR 380 Ca -0.02 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1xje h THR 380 Cb 0.94 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1xje h THR 380 CO 0.06 0.04 -0.24 0.50 0.37 0.00 0.00 175.52 176.26 1xje h LYS 381 N 0.24 -0.61 -0.97 6.66 3.64 -1.37 -1.59 116.57 122.56 1xje h LYS 381 Ca 0.27 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.77 1xje h LYS 381 Cb 0.38 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 1xje h LYS 381 CO -0.36 -0.41 0.62 0.00 -2.27 0.00 0.00 179.45 177.03 1xje h ALA 382 N -0.09 1.37 -0.17 5.00 0.00 -0.96 -1.16 119.26 123.25 1xje h ALA 382 Ca -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1xje h ALA 382 Cb 0.51 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xje h ALA 382 CO 0.07 0.36 -0.10 0.28 0.00 0.00 0.00 179.25 179.86 1xje h VAL 383 N 1.09 1.32 -0.97 0.00 2.07 -1.18 -2.84 116.25 115.74 1xje h VAL 383 Ca 0.43 -1.18 0.15 0.00 0.82 0.00 0.00 66.70 66.92 1xje h VAL 383 Cb 0.24 1.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.66 1xje h VAL 383 CO -0.20 0.35 0.61 0.11 0.02 0.00 0.00 177.57 178.47 1xje h LYS 384 N 0.03 0.82 -0.01 1.57 1.57 -0.98 0.17 116.57 119.74 1xje h LYS 384 Ca 0.03 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1xje h LYS 384 Cb 0.59 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1xje h LYS 384 CO 0.03 0.54 -0.66 0.93 -0.57 0.00 0.00 179.45 179.72 1xje h GLU 385 N 0.85 0.06 0.00 3.15 5.08 -1.13 -3.39 114.58 119.20 1xje h GLU 385 Ca 0.50 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.63 1xje h GLU 385 Cb 0.67 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1xje h GLU 385 CO -0.28 0.70 -1.70 0.43 -1.00 0.00 0.00 179.01 177.17 1xje n SER 386 N -3.78 2.84 -3.87 1.42 7.64 -1.02 -2.50 113.62 114.35 1xje n SER 386 Ca -0.02 -0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.55 1xje n SER 386 Cb 0.65 0.19 0.02 0.00 -1.01 0.00 0.00 64.21 64.06 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 -2.66 -4.99 -2.18 1.43 1.74 0.58 -1.94 116.66 108.63 1xje n ARG 387 Ca -0.20 0.57 -0.41 0.00 -0.77 0.00 0.00 57.85 57.05 1xje n ARG 387 Cb 0.77 -5.28 -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 -6.44 4.38 0.34 5.56 3.52 -1.26 -3.94 118.95 121.12 1xje s ARG 388 Ca 0.40 2.11 0.09 0.00 -0.13 0.00 0.00 55.73 58.21 1xje s ARG 388 Cb -0.20 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 29.97 1xje s ARG 388 CO 0.84 -0.22 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.50 1xje s LEU 389 N -0.70 2.73 -0.48 -0.88 1.43 0.03 -4.35 118.68 116.47 1xje s LEU 389 Ca 0.54 -1.20 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 1xje s LEU 389 Cb -0.38 -0.99 0.23 0.00 0.03 0.00 0.00 46.19 45.09 1xje s LEU 389 CO 0.43 -0.21 0.55 0.61 0.23 0.00 0.00 176.35 177.96 1xje n GLY 390 N -0.79 3.34 3.70 -3.19 0.00 -0.81 -3.28 105.19 104.17 1xje n GLY 390 Ca -0.05 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.36 4.28 0.00 0.99 2.96 0.11 -2.05 118.68 123.62 1xje s LEU 391 Ca 0.35 1.37 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 1xje s LEU 391 Cb 0.13 -3.33 0.00 0.00 0.50 0.00 0.00 46.19 43.49 1xje s LEU 391 CO -0.10 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 1xje n GLY 392 N 3.14 4.93 3.19 7.98 0.00 -0.07 -0.68 105.19 123.69 1xje n GLY 392 Ca 0.04 -1.57 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.21 1.08 0.31 -0.61 -4.36 -1.26 -0.78 121.20 114.38 1xje s ILE 393 Ca 0.00 -1.56 0.03 0.00 -0.26 0.00 0.00 60.65 58.85 1xje s ILE 393 Cb 0.00 -1.31 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 1xje s ILE 393 CO 0.00 -0.43 0.10 0.00 0.24 0.00 0.00 174.94 174.85 1xje s MET 394 N -2.46 1.60 0.00 0.37 0.23 0.04 -4.16 119.30 114.92 1xje s MET 394 Ca 0.04 -1.90 0.00 0.00 -1.03 0.00 0.00 55.69 52.80 1xje s MET 394 Cb -0.05 -0.48 0.00 0.00 -1.53 0.00 0.00 34.83 32.77 1xje s MET 394 CO 0.01 -0.32 0.00 0.41 -2.03 0.00 0.00 175.02 173.10 1xje n GLY 395 N -0.62 0.64 0.33 3.16 0.00 -0.11 -1.75 105.19 106.83 1xje n GLY 395 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 1.19 -0.36 1.61 3.57 -1.81 -0.68 116.94 120.46 1xje h PHE 396 Ca 0.00 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 1xje h PHE 396 Cb 0.05 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 1xje h PHE 396 CO 0.03 0.91 -0.00 0.00 -2.23 0.00 0.00 178.31 177.02 1xje h ALA 397 N 1.15 0.49 -0.58 2.41 0.00 -1.81 -1.53 119.26 119.39 1xje h ALA 397 Ca 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xje h ALA 397 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1xje h ALA 397 CO -0.02 0.26 0.37 -0.44 0.00 0.00 0.00 179.25 179.42 1xje h ASP 398 N 0.45 0.68 -0.48 0.00 3.32 -1.84 -2.20 116.42 116.35 1xje h ASP 398 Ca 0.10 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1xje h ASP 398 Cb 0.47 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1xje h ASP 398 CO 0.02 0.50 0.15 0.25 -1.72 0.00 0.00 179.24 178.44 1xje h LEU 399 N 0.79 0.70 -0.80 1.55 5.85 -0.36 -2.23 115.31 120.81 1xje h LEU 399 Ca 0.21 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xje h LEU 399 Cb -0.07 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1xje h LEU 399 CO -0.04 0.73 0.47 -0.07 -0.34 0.00 0.00 178.44 179.18 1xje h LEU 400 N 0.65 0.98 -0.76 2.25 3.38 -0.98 -1.00 115.31 119.83 1xje h LEU 400 Ca 0.16 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1xje h LEU 400 Cb 0.27 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1xje h LEU 400 CO -0.00 0.77 0.43 1.88 0.09 0.00 0.00 178.44 181.61 1xje h TYR 401 N 1.11 0.78 -0.45 1.13 0.05 -1.16 0.71 116.97 119.15 1xje h TYR 401 Ca 0.29 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 59.00 1xje h TYR 401 Cb -0.02 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 1xje h TYR 401 CO -0.00 0.35 -0.10 0.87 -1.05 0.00 0.00 178.16 178.23 1xje h LYS 402 N 0.76 0.80 -0.00 4.88 1.57 -0.75 -1.63 116.57 122.21 1xje h LYS 402 Ca 0.35 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1xje h LYS 402 Cb 0.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xje h LYS 402 CO -0.21 0.87 -0.01 1.28 -0.57 0.00 0.00 179.45 180.81 1xje n LEU 403 N -4.17 0.08 -3.42 2.94 4.77 -0.45 -4.88 117.00 111.88 1xje n LEU 403 Ca 0.01 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 55.93 1xje n LEU 403 Cb 0.36 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1xje n LEU 403 CO 0.43 0.02 0.20 -0.62 -1.33 0.00 0.00 177.39 176.09 1xje n GLU 404 N -1.13 -7.30 -4.14 3.23 1.02 0.08 -5.00 120.64 107.39 1xje n GLU 404 Ca 0.18 0.80 -0.34 0.00 -0.02 0.00 0.00 57.16 57.77 1xje n GLU 404 Cb 0.21 -5.73 -0.14 0.00 -0.02 0.00 0.00 31.44 25.76 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 -3.32 3.39 0.22 -3.67 1.01 -0.27 -4.96 121.20 113.61 1xje s ILE 405 Ca 0.42 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 1xje s ILE 405 Cb -0.18 -2.51 -0.10 0.00 0.01 0.00 0.00 42.46 39.67 1xje s ILE 405 CO 0.70 0.45 1.45 -2.84 0.00 0.00 0.00 174.94 174.70 1xje s PRO 406 N 1.10 4.27 0.26 2.79 0.02 -1.26 -4.41 135.00 137.77 1xje s PRO 406 Ca 0.01 2.28 -0.04 0.00 0.02 0.00 0.00 61.00 63.27 1xje s PRO 406 Cb -0.15 -3.13 0.32 0.00 0.02 0.00 0.00 34.50 31.56 1xje s PRO 406 CO -0.01 -0.44 1.87 -0.92 -0.33 0.00 0.00 177.00 177.18 1xje h TYR 407 N 5.44 1.09 -1.19 6.54 5.03 -1.83 -3.18 116.97 128.87 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 -0.34 -0.13 0.00 1.55 0.00 0.00 36.73 39.02 1xje h TYR 407 CO 0.61 0.77 2.17 0.27 -1.32 0.00 0.00 178.16 180.66 1xje n ASN 408 N -4.33 4.86 -3.54 -2.11 6.94 -1.26 -4.73 115.26 111.09 1xje n ASN 408 Ca 0.08 -3.03 -0.16 0.00 -0.02 0.00 0.00 54.58 51.44 1xje n ASN 408 Cb 0.12 -1.54 -0.06 0.00 -2.36 0.00 0.00 39.78 35.95 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 1.71 -0.57 0.36 0.53 1.04 -1.20 -5.03 113.70 110.53 1xje s SER 409 Ca 0.42 0.51 0.07 0.00 0.48 0.00 0.00 55.95 57.43 1xje s SER 409 Cb 0.09 0.52 0.67 0.00 0.10 0.00 0.00 66.02 67.39 1xje s SER 409 CO -0.01 -0.65 1.86 -0.61 0.98 0.00 0.00 173.24 174.82 1xje h GLN 410 N 2.95 0.32 -0.51 4.02 5.75 -1.90 -2.81 115.11 122.93 1xje h GLN 410 Ca -0.28 -0.08 0.10 0.00 -0.15 0.00 0.00 58.65 58.23 1xje h GLN 410 Cb 1.17 -0.04 -0.09 0.00 1.07 0.00 0.00 27.48 29.59 1xje h GLN 410 CO 0.39 0.47 -0.07 1.49 -2.65 0.00 0.00 178.83 178.47 1xje h GLU 411 N 0.30 0.05 -0.82 1.69 4.81 -1.96 -0.64 114.58 118.02 1xje h GLU 411 Ca 0.06 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1xje h GLU 411 Cb 0.44 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1xje h GLU 411 CO 0.03 0.03 0.35 0.00 -0.73 0.00 0.00 179.01 178.69 1xje h ALA 412 N 1.49 1.09 -0.16 2.92 0.00 -1.69 -1.76 119.26 121.14 1xje h ALA 412 Ca 0.25 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1xje h ALA 412 Cb 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xje h ALA 412 CO -0.49 0.66 -0.71 0.00 0.00 0.00 0.00 179.25 178.72 1xje h ARG 413 N 1.18 0.70 -0.52 0.00 3.08 -1.29 0.37 114.38 117.90 1xje h ARG 413 Ca 0.28 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 1xje h ARG 413 Cb 0.17 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1xje h ARG 413 CO -0.03 1.16 0.25 -0.44 -1.07 0.00 0.00 179.97 179.84 1xje h ASP 414 N 0.50 0.69 -0.34 7.04 3.32 -1.06 -0.77 116.42 125.80 1xje h ASP 414 Ca -0.03 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1xje h ASP 414 Cb 1.32 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1xje h ASP 414 CO 0.14 0.63 0.18 0.15 -1.72 0.00 0.00 179.24 178.62 1xje h PHE 415 N 0.70 0.46 -0.22 4.55 3.57 -1.20 -2.37 116.94 122.43 1xje h PHE 415 Ca 0.18 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1xje h PHE 415 Cb 0.12 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1xje h PHE 415 CO -0.00 0.37 -0.06 0.00 -2.23 0.00 0.00 178.31 176.39 1xje h ALA 416 N 1.05 0.15 -0.58 2.41 0.00 -0.73 0.15 119.26 121.70 1xje h ALA 416 Ca 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xje h ALA 416 Cb 0.06 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1xje h ALA 416 CO -0.02 -0.47 0.31 0.00 0.00 0.00 0.00 179.25 179.07 1xje h ALA 417 N 1.22 0.75 -0.52 0.00 0.00 -1.10 -0.56 119.26 119.05 1xje h ALA 417 Ca 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xje h ALA 417 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1xje h ALA 417 CO -0.23 0.27 0.23 -0.91 0.00 0.00 0.00 179.25 178.61 1xje h ASN 418 N 0.79 0.69 -0.09 0.00 2.35 -1.07 0.28 115.58 118.54 1xje h ASN 418 Ca 0.20 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1xje h ASN 418 Cb 0.06 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1xje h ASN 418 CO -0.03 0.65 0.04 0.25 -1.65 0.00 0.00 177.43 176.68 1xje h LEU 419 N 0.69 0.11 -0.76 1.61 6.46 -0.53 -1.57 115.31 121.33 1xje h LEU 419 Ca 0.18 -0.14 -0.10 0.00 -0.12 0.00 0.00 57.88 57.69 1xje h LEU 419 Cb 0.15 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1xje h LEU 419 CO -0.02 0.22 -0.17 -0.03 -0.62 0.00 0.00 178.44 177.82 1xje h MET 420 N 0.00 0.76 -0.45 1.25 4.05 -1.02 -1.68 114.93 117.85 1xje h MET 420 Ca 0.03 -0.28 0.02 0.00 -0.28 0.00 0.00 59.70 59.19 1xje h MET 420 Cb 0.14 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 1xje h MET 420 CO -0.00 0.89 0.25 0.00 0.23 0.00 0.00 176.91 178.28 1xje h ALA 421 N 1.13 0.57 -0.16 0.39 0.00 -0.36 0.21 119.26 121.03 1xje h ALA 421 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xje h ALA 421 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xje h ALA 421 CO 0.05 -0.07 0.11 0.35 0.00 0.00 0.00 179.25 179.68 1xje h PHE 422 N 0.51 0.20 -0.77 0.00 3.57 -1.07 0.11 116.94 119.49 1xje h PHE 422 Ca 0.18 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1xje h PHE 422 Cb 0.04 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 1xje h PHE 422 CO -0.08 0.13 0.49 0.82 -2.23 0.00 0.00 178.31 177.45 1xje h ILE 423 N 0.22 1.12 -0.22 1.41 2.04 -1.12 -2.33 117.51 118.63 1xje h ILE 423 Ca 0.06 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1xje h ILE 423 Cb -0.02 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1xje h ILE 423 CO -0.01 0.18 0.10 0.00 0.00 0.00 0.00 178.15 178.42 1xje h ALA 424 N 1.32 0.29 -0.15 1.87 0.00 -0.71 0.25 119.26 122.13 1xje h ALA 424 Ca 0.31 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1xje h ALA 424 Cb -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1xje h ALA 424 CO -0.11 -0.14 -0.27 1.25 0.00 0.00 0.00 179.25 179.98 1xje h LEU 425 N 0.22 -0.85 -0.23 0.00 5.85 -0.83 -1.37 115.31 118.11 1xje h LEU 425 Ca 0.08 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1xje h LEU 425 Cb 0.14 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1xje h LEU 425 CO -0.01 -0.32 -0.20 0.45 -0.34 0.00 0.00 178.44 178.02 1xje h HIS 426 N -0.33 0.00 -0.15 1.25 3.86 -1.29 -1.36 115.15 117.12 1xje h HIS 426 Ca 0.10 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.27 1xje h HIS 426 Cb 0.49 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 1xje h HIS 426 CO -0.37 0.20 -0.10 0.00 0.86 0.00 0.00 177.93 178.52 1xje h ALA 427 N 1.80 0.21 -0.17 2.45 0.00 -0.70 -2.07 119.26 120.78 1xje h ALA 427 Ca -0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1xje h ALA 427 Cb 1.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xje h ALA 427 CO 0.03 0.04 -0.54 0.45 0.00 0.00 0.00 179.25 179.23 1xje h HIS 428 N -0.02 0.61 -0.67 0.00 -0.00 -1.22 -1.38 115.15 112.48 1xje h HIS 428 Ca 0.03 -0.21 0.06 0.00 -0.00 0.00 0.00 60.37 60.25 1xje h HIS 428 Cb 0.59 -0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 27.83 1xje h HIS 428 CO 0.07 0.92 0.36 0.00 -0.00 0.00 0.00 177.93 179.29 1xje h ARG 429 N 0.38 0.65 0.00 2.45 3.08 -1.30 -1.08 114.38 118.55 1xje h ARG 429 Ca 0.01 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1xje h ARG 429 Cb 1.07 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1xje h ARG 429 CO 0.10 0.43 -0.29 0.00 -1.07 0.00 0.00 179.97 179.14 1xje h THR 430 N 0.66 0.71 -0.39 2.04 1.03 -0.83 -2.04 112.91 114.10 1xje h THR 430 Ca 0.31 -1.27 -0.12 0.00 -0.01 0.00 0.00 66.41 65.32 1xje h THR 430 Cb 0.22 1.81 -0.01 0.00 -1.07 0.00 0.00 68.15 69.10 1xje h THR 430 CO -0.20 0.28 -0.24 -1.28 -0.01 0.00 0.00 175.52 174.07 1xje h SER 431 N 0.00 0.81 0.44 0.00 0.87 -0.56 -0.15 113.55 114.96 1xje h SER 431 Ca -0.00 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 1xje h SER 431 Cb 0.79 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1xje h SER 431 CO 0.04 1.01 -0.43 0.22 -0.53 0.00 0.00 176.83 177.14 1xje h TYR 432 N 0.68 -1.16 -0.71 2.24 3.20 -0.86 -0.51 116.97 119.85 1xje h TYR 432 Ca 0.09 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.07 1xje h TYR 432 Cb 0.76 0.45 -0.08 0.00 1.54 0.00 0.00 36.73 39.40 1xje h TYR 432 CO 0.04 -0.59 0.33 0.93 -1.64 0.00 0.00 178.16 177.23 1xje h GLU 433 N -0.88 0.53 -0.61 1.82 5.08 -1.16 -1.64 114.58 117.73 1xje h GLU 433 Ca -0.04 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1xje h GLU 433 Cb 0.77 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1xje h GLU 433 CO -0.06 0.35 0.11 -0.07 -1.00 0.00 0.00 179.01 178.34 1xje h LEU 434 N 0.54 0.92 -0.93 1.33 4.07 -0.94 -0.08 115.31 120.22 1xje h LEU 434 Ca 0.36 -0.20 -0.06 0.00 0.08 0.00 0.00 57.88 58.06 1xje h LEU 434 Cb 0.44 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 1xje h LEU 434 CO -0.31 0.92 0.11 1.23 -1.08 0.00 0.00 178.44 179.31 1xje h GLY 435 N 1.03 0.96 1.03 0.83 0.00 -0.23 0.21 103.07 106.90 1xje h GLY 435 Ca 0.19 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1xje h GLY 435 CO 0.01 0.54 -0.18 1.70 0.00 0.00 0.00 176.54 178.61 1xje h LYS 436 N 0.85 0.85 0.05 4.80 3.64 -1.05 -0.35 116.57 125.36 1xje h LYS 436 Ca 0.18 -0.36 -0.21 0.00 -1.27 0.00 0.00 60.65 58.98 1xje h LYS 436 Cb 0.35 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1xje h LYS 436 CO 0.00 1.00 -0.86 1.49 -2.27 0.00 0.00 179.45 178.82 1xje h GLU 437 N 0.66 0.49 0.00 1.90 4.81 -0.70 -3.39 114.58 118.35 1xje h GLU 437 Ca 0.09 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1xje h GLU 437 Cb 0.74 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1xje h GLU 437 CO 0.06 1.23 -0.79 1.63 -0.73 0.00 0.00 179.01 180.41 1xje n LYS 438 N -4.05 2.62 0.00 1.92 5.02 0.72 -4.16 118.16 120.23 1xje n LYS 438 Ca -0.12 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1xje n LYS 438 Cb 0.80 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 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 1.45 2.75 3.81 0.72 0.00 -0.14 -4.81 105.19 108.96 1xje n GLY 439 Ca 0.01 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 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 5.28 0.27 1.61 0.01 -1.22 -4.38 114.94 116.50 1xje s ASN 440 Ca 0.00 1.65 -0.30 0.00 -0.71 0.00 0.00 52.86 53.51 1xje s ASN 440 Cb 0.00 -2.50 -0.10 0.00 0.41 0.00 0.00 41.25 39.06 1xje s ASN 440 CO 0.00 -1.51 1.41 0.72 -1.51 0.00 0.00 177.10 176.20 1xje s PHE 441 N -3.00 3.01 0.41 2.20 -0.71 -0.78 -4.89 117.98 114.23 1xje s PHE 441 Ca 0.59 1.13 0.23 0.00 -1.04 0.00 0.00 56.93 57.84 1xje s PHE 441 Cb -0.14 -3.79 1.25 0.00 -1.21 0.00 0.00 43.02 39.13 1xje s PHE 441 CO 0.54 -2.46 1.70 -1.35 -1.34 0.00 0.00 175.22 172.31 1xje h PRO 442 N 4.58 0.24 -0.34 1.99 0.11 -1.77 0.03 132.00 136.84 1xje h PRO 442 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xje h PRO 442 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xje h PRO 442 CO 0.74 0.16 0.00 1.28 -0.21 0.00 0.00 178.00 179.97 1xje n LEU 443 N -4.68 1.86 -0.23 2.35 4.77 -1.04 -4.33 117.00 115.69 1xje n LEU 443 Ca 0.31 -0.92 0.02 0.00 -0.03 0.00 0.00 56.01 55.39 1xje n LEU 443 Cb 1.13 -0.23 0.11 0.00 -2.33 0.00 0.00 43.42 42.10 1xje n LEU 443 CO 0.22 0.46 0.79 0.25 -1.33 0.00 0.00 177.39 177.78 1xje h LEU 444 N 2.04 -0.43 -0.77 2.23 6.46 -1.28 -2.26 115.31 121.30 1xje h LEU 444 Ca 0.00 0.19 0.18 0.00 -0.12 0.00 0.00 57.88 58.12 1xje h LEU 444 Cb 0.47 0.35 -0.12 0.00 -0.73 0.00 0.00 40.66 40.63 1xje h LEU 444 CO 0.00 -0.18 0.19 -0.33 -0.62 0.00 0.00 178.44 177.50 1xje h GLU 445 N 0.07 0.26 -0.19 1.25 5.08 -1.83 -0.62 114.58 118.59 1xje h GLU 445 Ca 0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1xje h GLU 445 Cb 0.59 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1xje h GLU 445 CO -0.64 0.17 0.00 0.44 -1.00 0.00 0.00 179.01 177.98 1xje n ILE 446 N -5.17 0.24 -2.42 3.13 -5.35 -0.87 -4.60 119.36 104.32 1xje n ILE 446 Ca 0.16 -0.47 -0.28 0.00 -0.27 0.00 0.00 62.75 61.89 1xje n ILE 446 Cb 0.51 0.71 0.01 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.66 6.06 0.30 7.28 1.04 -0.24 -4.88 113.70 121.60 1xje s SER 447 Ca 0.34 0.97 0.25 0.00 0.48 0.00 0.00 55.95 57.99 1xje s SER 447 Cb 0.20 -2.14 1.04 0.00 0.10 0.00 0.00 66.02 65.22 1xje s SER 447 CO 0.29 -0.78 1.75 0.03 0.98 0.00 0.00 173.24 175.51 1xje h ARG 448 N -0.00 0.00 0.00 4.02 3.08 -0.99 -1.09 114.38 119.39 1xje h ARG 448 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 1xje h ARG 448 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1xje h ARG 448 CO 0.62 0.00 -0.05 1.88 -1.07 0.00 0.00 179.97 181.34 1xje h TYR 449 N 0.00 0.00 0.00 3.04 0.05 -1.86 -2.93 116.97 115.27 1xje h TYR 449 Ca 0.00 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.41 1xje h TYR 449 Cb 0.37 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.05 1xje h TYR 449 CO 0.00 0.05 -2.32 -2.13 -1.05 0.00 0.00 178.16 172.71 1xje n ARG 450 N -3.30 0.54 0.00 4.88 3.00 -0.52 -3.56 116.66 117.70 1xje n ARG 450 Ca -0.01 0.18 0.14 0.00 -0.00 0.00 0.00 57.85 58.15 1xje n ARG 450 Cb 0.22 -1.41 0.54 0.00 0.00 0.00 0.00 32.46 31.81 1xje n ARG 450 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1xje n THR 451 N -3.61 0.00 -4.57 5.15 -2.24 -0.59 -4.82 114.28 103.60 1xje n THR 451 Ca -0.44 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 1xje n THR 451 Cb 0.88 -0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.92 1xje n THR 451 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xje s GLU 452 N -2.66 1.88 -0.08 -0.78 2.02 -1.11 -5.02 118.70 112.95 1xje s GLU 452 Ca 0.23 -2.01 -0.02 0.00 0.02 0.00 0.00 54.97 53.19 1xje s GLU 452 Cb 0.19 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.71 1xje s GLU 452 CO 0.52 0.06 0.02 -0.51 0.02 0.00 0.00 175.26 175.38 1xje s ASP 453 N -3.65 5.40 -0.08 -0.19 -0.00 -1.26 -4.72 116.67 112.17 1xje s ASP 453 Ca 0.34 0.17 0.00 0.00 -0.00 0.00 0.00 52.55 53.06 1xje s ASP 453 Cb 0.05 -1.55 0.00 0.00 -0.00 0.00 0.00 42.92 41.43 1xje s ASP 453 CO 0.17 0.37 0.00 0.59 -0.00 0.00 0.00 175.17 176.30 1xje n ASN 454 N 1.98 -3.29 -4.72 0.27 4.13 -1.26 -5.00 115.26 107.37 1xje n ASN 454 Ca -0.18 0.02 -0.42 0.00 1.68 0.00 0.00 54.58 55.68 1xje n ASN 454 Cb 0.54 -0.86 -0.03 0.00 -1.54 0.00 0.00 39.78 37.89 1xje n ASN 454 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1xje s PHE 455 N -1.96 3.28 -0.04 3.10 5.36 -1.26 -5.02 117.98 121.44 1xje s PHE 455 Ca 0.00 1.06 0.01 0.00 -0.96 0.00 0.00 56.93 57.04 1xje s PHE 455 Cb 0.00 -3.62 0.02 0.00 -0.34 0.00 0.00 43.02 39.08 1xje s PHE 455 CO 0.00 -2.11 -0.06 0.08 -1.46 0.00 0.00 175.22 171.68 1xje s VAL 456 N 0.94 0.60 -0.71 3.12 1.01 -1.26 -4.84 120.40 119.26 1xje s VAL 456 Ca 0.62 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1xje s VAL 456 Cb -0.35 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1xje s VAL 456 CO 0.31 0.23 0.69 -0.81 0.00 0.00 0.00 175.10 175.53 1xje n PRO 457 N 3.89 1.16 -3.71 2.72 -0.04 -1.26 -4.81 135.00 132.96 1xje n PRO 457 Ca -0.24 -0.15 -0.07 0.00 -0.04 0.00 0.00 63.50 62.99 1xje n PRO 457 Cb 0.51 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.84 -0.26 -0.20 0.54 -0.12 -1.26 -4.31 117.98 111.53 1xje s PHE 458 Ca 0.03 -0.07 0.16 0.00 -0.05 0.00 0.00 56.93 56.99 1xje s PHE 458 Cb 0.02 0.64 0.10 0.00 -0.63 0.00 0.00 43.02 43.16 1xje s PHE 458 CO 0.01 -0.98 1.46 0.00 -0.05 0.00 0.00 175.22 175.66 1xje h ALA 459 N 2.00 0.72 -0.47 1.99 0.00 -1.75 -3.49 119.26 118.26 1xje h ALA 459 Ca -0.24 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1xje h ALA 459 Cb 1.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xje h ALA 459 CO 0.27 0.54 0.00 -1.33 0.00 0.00 0.00 179.25 178.73 1xje n MET 460 N -3.20 0.00 -0.50 0.00 2.81 0.53 -4.96 117.12 111.80 1xje n MET 460 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1xje n MET 460 Cb 0.71 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.22 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 0.73 2.03 3.03 0.00 -1.26 -4.86 105.19 104.86 1xje n GLY 461 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.50 0.74 -3.51 1.61 2.81 -1.26 -5.11 117.12 109.90 1xje n MET 462 Ca 0.00 -2.36 -0.15 0.00 -1.81 0.00 0.00 57.70 53.38 1xje n MET 462 Cb 0.00 -0.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.98 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 -2.46 -0.58 0.61 7.83 0.15 -1.26 -4.32 113.70 113.68 1xje s SER 463 Ca 0.25 0.50 0.40 0.00 0.70 0.00 0.00 55.95 57.80 1xje s SER 463 Cb 0.33 0.50 1.94 0.00 -1.71 0.00 0.00 66.02 67.08 1xje s SER 463 CO -0.10 -0.63 2.19 -0.55 1.20 0.00 0.00 173.24 175.35 1xje h ASN 464 N 2.70 0.00 0.14 5.45 -1.07 -1.97 -3.24 115.58 117.59 1xje h ASN 464 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.11 1xje h ASN 464 Cb 1.18 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 1xje h ASN 464 CO 0.37 0.00 -0.06 -1.22 0.07 0.00 0.00 177.43 176.59 1xje n TYR 465 N -3.09 0.00 -0.26 4.14 4.01 -1.26 -4.27 117.16 116.43 1xje n TYR 465 Ca -0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.68 1xje n TYR 465 Cb 0.18 -0.07 0.06 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.09 0.83 -0.51 7.72 3.45 -1.97 -1.27 116.42 125.76 1xje h ASP 466 Ca 0.00 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.42 1xje h ASP 466 Cb 0.33 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1xje h ASP 466 CO 0.00 0.60 0.25 0.44 -1.57 0.00 0.00 179.24 178.96 1xje h ASP 467 N 0.98 0.66 -0.24 6.45 3.32 -1.88 -1.33 116.42 124.39 1xje h ASP 467 Ca 0.27 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1xje h ASP 467 Cb -0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1xje h ASP 467 CO -0.06 0.60 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.66 1xje h GLU 468 N 0.68 0.61 -0.43 3.56 5.08 -1.73 -2.39 114.58 119.96 1xje h GLU 468 Ca 0.18 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1xje h GLU 468 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1xje h GLU 468 CO -0.02 0.68 0.15 0.82 -1.00 0.00 0.00 179.01 179.63 1xje h ILE 469 N 0.57 1.21 -1.00 3.13 2.04 -0.79 -1.56 117.51 121.10 1xje h ILE 469 Ca 0.11 -0.69 0.16 0.00 1.00 0.00 0.00 64.86 65.44 1xje h ILE 469 Cb 0.47 0.86 -0.10 0.00 -0.74 0.00 0.00 36.82 37.31 1xje h ILE 469 CO 0.02 0.25 0.62 0.03 0.00 0.00 0.00 178.15 179.07 1xje h ARG 470 N 0.55 0.83 0.32 2.37 3.08 -0.90 -0.69 114.38 119.94 1xje h ARG 470 Ca 0.14 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1xje h ARG 470 Cb 0.24 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1xje h ARG 470 CO -0.01 0.55 -0.15 1.49 -1.07 0.00 0.00 179.97 180.78 1xje h GLU 471 N 0.85 -0.41 -1.02 0.04 4.57 -0.90 -2.42 114.58 115.28 1xje h GLU 471 Ca 0.55 0.03 0.26 0.00 -1.18 0.00 0.00 59.36 59.02 1xje h GLU 471 Cb 0.74 0.09 -0.12 0.00 -0.16 0.00 0.00 28.75 29.31 1xje h GLU 471 CO -0.34 -0.10 0.62 0.28 -1.18 0.00 0.00 179.01 178.29 1xje h VAL 472 N -0.75 0.51 -0.13 0.32 2.07 -0.79 0.17 116.25 117.65 1xje h VAL 472 Ca -0.04 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 1xje h VAL 472 Cb 0.50 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1xje h VAL 472 CO 0.07 0.09 -0.48 0.24 0.02 0.00 0.00 177.57 177.51 1xje h MET 473 N 0.50 0.33 -0.38 1.57 2.86 -0.96 -2.20 114.93 116.64 1xje h MET 473 Ca 0.64 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 58.03 1xje h MET 473 Cb 1.37 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 1xje h MET 473 CO -0.43 0.74 -0.02 0.87 1.06 0.00 0.00 176.91 179.13 1xje h LYS 474 N 0.26 0.69 -0.26 1.72 1.57 -0.22 -2.61 116.57 117.72 1xje h LYS 474 Ca 0.01 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1xje h LYS 474 Cb 0.95 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1xje h LYS 474 CO 0.08 0.80 0.18 0.52 -0.57 0.00 0.00 179.45 180.46 1xje h MET 475 N 0.51 0.15 0.00 3.15 2.86 -1.00 -1.85 114.93 118.74 1xje h MET 475 Ca 0.11 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1xje h MET 475 Cb 0.51 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1xje h MET 475 CO 0.02 0.10 0.00 -2.37 1.06 0.00 0.00 176.91 175.72 1xje n THR 476 N -4.49 0.34 0.01 2.22 5.66 -0.85 -1.97 114.28 115.21 1xje n THR 476 Ca 0.02 0.08 0.21 0.00 -3.05 0.00 0.00 64.05 61.32 1xje n THR 476 Cb 0.23 -0.67 0.72 0.00 -1.55 0.00 0.00 70.33 69.06 1xje n THR 476 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1xje h LYS 477 N 0.00 0.00 0.01 1.09 3.64 -1.30 -3.31 116.57 116.69 1xje h LYS 477 Ca 0.00 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.98 1xje h LYS 477 Cb 0.42 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 1xje h LYS 477 CO 0.00 0.00 -2.21 0.39 -2.27 0.00 0.00 179.45 175.36 1xje n GLU 478 N -4.13 0.60 -4.60 1.90 -0.58 -0.83 -4.66 120.64 108.34 1xje n GLU 478 Ca 0.10 0.32 -0.23 0.00 -0.42 0.00 0.00 57.16 56.93 1xje n GLU 478 Cb 0.65 -1.57 -0.16 0.00 -0.57 0.00 0.00 31.44 29.79 1xje n GLU 478 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1xje s PHE 479 N -2.48 1.30 -0.30 -0.32 0.08 -1.22 -5.02 117.98 110.02 1xje s PHE 479 Ca -0.35 -0.35 -0.13 0.00 0.12 0.00 0.00 56.93 56.21 1xje s PHE 479 Cb 0.12 -0.90 0.16 0.00 -0.57 0.00 0.00 43.02 41.83 1xje s PHE 479 CO 0.55 -0.13 0.93 0.50 -0.10 0.00 0.00 175.22 176.97 1xje s ARG 480 N 0.12 0.33 0.22 0.44 3.52 -1.26 -4.20 118.95 118.13 1xje s ARG 480 Ca -0.03 0.81 0.15 0.00 -0.13 0.00 0.00 55.73 56.52 1xje s ARG 480 Cb -0.10 0.48 -0.00 0.00 -1.56 0.00 0.00 34.95 33.77 1xje s ARG 480 CO 0.01 -0.15 1.28 -0.09 -0.81 0.00 0.00 175.30 175.54 1xje h ARG 481 N 7.64 0.00 -4.15 5.12 9.65 -1.57 -2.06 114.38 129.01 1xje h ARG 481 Ca -0.16 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.40 1xje h ARG 481 Cb 1.12 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 29.41 1xje h ARG 481 CO 0.08 0.47 -0.75 -0.80 2.80 0.00 0.00 179.97 181.77 1xje s ASN 482 N -6.29 0.53 0.30 -3.80 -0.87 -1.26 -3.53 114.94 100.01 1xje s ASN 482 Ca 0.02 -0.08 0.10 0.00 -1.57 0.00 0.00 52.86 51.33 1xje s ASN 482 Cb 0.08 -0.10 0.46 0.00 -0.02 0.00 0.00 41.25 41.67 1xje s ASN 482 CO 0.77 0.03 1.68 1.62 -2.57 0.00 0.00 177.10 178.63 1xje h VAL 483 N 5.25 1.36 -2.75 1.60 3.04 -1.51 -3.45 116.25 119.79 1xje h VAL 483 Ca -0.30 -1.76 0.00 0.00 -1.01 0.00 0.00 66.70 63.63 1xje h VAL 483 Cb 1.18 1.92 -0.13 0.00 -2.01 0.00 0.00 31.29 32.25 1xje h VAL 483 CO 0.50 0.51 0.27 0.00 -1.01 0.00 0.00 177.57 177.84 1xje s ALA 484 N -3.88 -1.66 0.00 3.17 0.00 -1.26 -4.81 121.76 113.31 1xje s ALA 484 Ca -0.03 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1xje s ALA 484 Cb 0.13 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1xje s ALA 484 CO 0.76 -0.71 0.00 1.28 0.00 0.00 0.00 175.76 177.09 1xje n LEU 485 N -0.22 0.00 -4.20 0.00 4.32 -1.23 -0.79 117.00 114.88 1xje n LEU 485 Ca -0.16 -0.08 -0.24 0.00 -0.02 0.00 0.00 56.01 55.51 1xje n LEU 485 Cb 0.64 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.29 1xje n LEU 485 CO 0.13 0.00 -0.50 -0.76 -1.22 0.00 0.00 177.39 175.03 1xje s LEU 486 N -1.49 2.12 0.29 2.23 1.43 -1.20 0.08 118.68 122.14 1xje s LEU 486 Ca 0.00 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1xje s LEU 486 Cb 0.00 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.34 1xje s LEU 486 CO 0.00 0.16 0.55 0.28 0.23 0.00 0.00 176.35 177.56 1xje s THR 487 N -0.67 0.00 -0.12 5.49 -1.32 0.15 -2.51 115.64 116.65 1xje s THR 487 Ca 0.06 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 1xje s THR 487 Cb -0.08 -2.39 0.02 0.00 -1.51 0.00 0.00 72.50 68.55 1xje s THR 487 CO 0.01 0.00 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.68 1xje s ILE 488 N -3.53 1.24 0.53 5.08 -1.09 -1.22 -3.18 121.20 119.02 1xje s ILE 488 Ca 0.22 -0.43 0.05 0.00 -2.23 0.00 0.00 60.65 58.27 1xje s ILE 488 Cb -0.02 -1.20 0.05 0.00 -1.58 0.00 0.00 42.46 39.70 1xje s ILE 488 CO 0.12 0.40 0.73 0.00 -1.23 0.00 0.00 174.94 174.96 1xje s ALA 489 N 1.55 4.28 0.28 9.38 0.00 -1.26 -0.94 121.76 135.05 1xje s ALA 489 Ca 0.04 -1.68 -0.02 0.00 0.00 0.00 0.00 51.96 50.30 1xje s ALA 489 Cb -0.13 -1.77 0.39 0.00 0.00 0.00 0.00 23.12 21.61 1xje s ALA 489 CO -0.08 -0.68 1.83 -1.35 0.00 0.00 0.00 175.76 175.47 1xje h PRO 490 N 0.23 0.85 -5.51 0.00 0.11 -1.95 -3.39 132.00 122.35 1xje h PRO 490 Ca -0.38 -0.17 -0.42 0.00 0.11 0.00 0.00 66.00 65.14 1xje h PRO 490 Cb 1.28 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.27 1xje h PRO 490 CO 0.46 0.75 -0.66 0.25 -0.21 0.00 0.00 178.00 178.59 1xje n THR 491 N -4.28 -1.93 0.08 -1.15 -2.24 -1.26 -3.49 114.28 100.01 1xje n THR 491 Ca 0.04 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.87 1xje n THR 491 Cb 0.22 -2.97 0.49 0.00 -2.10 0.00 0.00 70.33 65.96 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 -1.73 0.39 0.00 3.38 0.00 -1.98 -1.54 103.07 101.58 1xje h GLY 492 Ca -0.53 -0.15 -0.34 0.00 0.00 0.00 0.00 47.33 46.31 1xje h GLY 492 CO 0.59 0.15 -2.30 1.44 0.00 0.00 0.00 176.54 176.42 1xje n SER 493 N -4.48 1.98 0.20 0.19 7.64 -1.26 -4.45 113.62 113.43 1xje n SER 493 Ca 0.01 -0.11 0.08 0.00 1.01 0.00 0.00 58.87 59.87 1xje n SER 493 Cb 0.08 -0.18 0.32 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.00 0.58 -0.02 0.44 3.07 -1.93 -2.03 117.51 117.63 1xje h ILE 494 Ca -0.51 -1.40 -0.14 0.00 1.55 0.00 0.00 64.86 64.36 1xje h ILE 494 Cb 1.84 1.96 -0.02 0.00 -0.27 0.00 0.00 36.82 40.34 1xje h ILE 494 CO -0.06 0.27 -0.64 0.77 -1.05 0.00 0.00 178.15 177.44 1xje h SER 495 N 0.00 0.08 -0.27 2.16 4.64 -1.54 -1.29 113.55 117.34 1xje h SER 495 Ca -0.00 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1xje h SER 495 Cb 0.94 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1xje h SER 495 CO 0.04 0.70 0.09 0.78 -0.87 0.00 0.00 176.83 177.57 1xje h ASN 496 N 0.05 0.39 -0.70 4.97 4.21 -1.58 -0.88 115.58 122.04 1xje h ASN 496 Ca -0.01 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.29 1xje h ASN 496 Cb 1.14 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 38.21 1xje h ASN 496 CO 0.09 0.48 0.38 0.40 -1.29 0.00 0.00 177.43 177.48 1xje h ILE 497 N 0.28 1.22 0.00 2.81 2.04 -1.12 -1.84 117.51 120.89 1xje h ILE 497 Ca 0.09 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1xje h ILE 497 Cb 0.22 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1xje h ILE 497 CO -0.00 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.39 1xje n ALA 498 N -2.35 2.07 -3.16 1.87 0.00 -0.51 -4.84 120.51 113.59 1xje n ALA 498 Ca 0.06 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1xje n ALA 498 Cb 0.09 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.38 -3.69 -3.87 0.00 8.00 -0.61 -5.01 116.55 109.99 1xje n ASP 499 Ca 0.08 -0.58 -0.09 0.00 0.71 0.00 0.00 54.79 54.91 1xje n ASP 499 Cb 0.21 -4.59 -0.06 0.00 -0.02 0.00 0.00 41.12 36.66 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 -3.33 0.05 0.81 -3.53 -1.32 -0.43 -5.05 115.64 102.85 1xje s THR 500 Ca 0.16 -1.13 -0.12 0.00 -1.21 0.00 0.00 61.69 59.39 1xje s THR 500 Cb -0.02 -1.74 0.09 0.00 -1.51 0.00 0.00 72.50 69.31 1xje s THR 500 CO 0.64 -0.21 1.16 -0.94 -2.21 0.00 0.00 174.62 173.06 1xje s SER 501 N -2.93 3.70 -0.28 8.08 1.04 -1.26 -4.48 113.70 117.57 1xje s SER 501 Ca 0.14 2.20 -0.18 0.00 0.48 0.00 0.00 55.95 58.59 1xje s SER 501 Cb 0.01 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1xje s SER 501 CO -0.01 -2.58 0.52 -0.44 0.98 0.00 0.00 173.24 171.71 1xje s SER 502 N -2.52 6.41 0.57 7.02 0.01 -1.26 -0.94 113.70 122.99 1xje s SER 502 Ca 0.69 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1xje s SER 502 Cb -0.24 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1xje s SER 502 CO 0.52 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1xje n GLY 503 N 4.48 2.26 0.66 3.44 0.00 -1.23 -1.07 105.19 113.73 1xje n GLY 503 Ca -0.04 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 1.97 -4.80 0.99 -0.00 -1.26 -3.42 117.00 110.49 1xje n LEU 504 Ca 0.00 -0.85 -0.34 0.00 -0.00 0.00 0.00 56.01 54.82 1xje n LEU 504 Cb 0.00 -0.14 -0.04 0.00 -0.00 0.00 0.00 43.42 43.23 1xje n LEU 504 CO 0.00 0.43 0.70 -1.61 -0.00 0.00 0.00 177.39 176.91 1xje s GLU 505 N -1.71 3.91 0.74 1.47 0.41 -0.23 -4.76 118.70 118.53 1xje s GLU 505 Ca 0.32 1.31 -0.11 0.00 -0.41 0.00 0.00 54.97 56.09 1xje s GLU 505 Cb 0.18 -2.13 0.04 0.00 -1.78 0.00 0.00 34.13 30.43 1xje s GLU 505 CO 0.26 -0.33 1.08 -1.25 -0.49 0.00 0.00 175.26 174.53 1xje s PRO 506 N -3.19 2.52 0.28 0.39 0.04 -1.26 -4.18 135.00 129.60 1xje s PRO 506 Ca 0.66 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1xje s PRO 506 Cb -0.15 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 1xje s PRO 506 CO 0.19 -1.44 1.60 0.09 0.04 0.00 0.00 177.00 177.47 1xje n ASN 507 N -3.30 3.78 -0.08 6.66 3.02 -1.26 -4.64 115.26 119.45 1xje n ASN 507 Ca 0.09 1.14 -0.15 0.00 -0.03 0.00 0.00 54.58 55.63 1xje n ASN 507 Cb 0.53 -1.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.07 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 4.96 1.01 -3.95 3.10 3.04 -1.94 -1.12 116.94 122.03 1xje h PHE 508 Ca -0.46 -0.36 -0.16 0.00 3.98 0.00 0.00 57.97 60.97 1xje h PHE 508 Cb 1.23 -0.19 -0.20 0.00 2.56 0.00 0.00 35.95 39.35 1xje h PHE 508 CO 0.59 1.17 -0.66 -0.51 -2.02 0.00 0.00 178.31 176.88 1xje s LEU 509 N -8.74 2.17 0.03 0.59 1.43 -1.26 -4.07 118.68 108.83 1xje s LEU 509 Ca -0.11 -0.55 0.24 0.00 -1.03 0.00 0.00 54.13 52.68 1xje s LEU 509 Cb 0.09 0.22 0.37 0.00 0.03 0.00 0.00 46.19 46.90 1xje s LEU 509 CO 0.87 -0.37 1.31 0.18 0.23 0.00 0.00 176.35 178.57 1xje n LEU 510 N 1.27 0.58 -3.62 1.79 4.77 -1.26 -4.89 117.00 115.64 1xje n LEU 510 Ca -0.22 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 1xje n LEU 510 Cb 0.56 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1xje n LEU 510 CO 0.22 0.08 0.68 0.00 -1.33 0.00 0.00 177.39 177.03 1xje s ALA 511 N -3.07 -1.92 0.24 -1.18 0.00 -1.26 0.13 121.76 114.70 1xje s ALA 511 Ca 0.09 1.81 -0.22 0.00 0.00 0.00 0.00 51.96 53.64 1xje s ALA 511 Cb 0.16 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 22.14 1xje s ALA 511 CO 0.73 -0.27 0.76 1.52 0.00 0.00 0.00 175.76 178.49 1xje s TYR 512 N -0.08 -0.21 -0.26 0.00 -0.85 -0.36 -4.68 117.35 110.91 1xje s TYR 512 Ca 0.01 -0.19 -0.24 0.00 -0.52 0.00 0.00 57.07 56.14 1xje s TYR 512 Cb -0.04 0.68 -0.01 0.00 0.38 0.00 0.00 41.96 42.97 1xje s TYR 512 CO -0.03 -1.11 0.78 0.99 -1.52 0.00 0.00 175.55 174.67 1xje s THR 513 N -3.77 4.85 0.35 -3.49 2.01 -1.26 0.58 115.64 114.91 1xje s THR 513 Ca 0.10 1.41 -0.08 0.00 0.31 0.00 0.00 61.69 63.43 1xje s THR 513 Cb -0.05 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 1xje s THR 513 CO 0.04 -0.09 0.67 -0.13 -0.69 0.00 0.00 174.62 174.42 1xje s ARG 514 N 2.81 3.73 -0.15 4.92 3.00 -1.26 -4.86 118.95 127.14 1xje s ARG 514 Ca 0.33 0.29 0.00 0.00 0.00 0.00 0.00 55.73 56.35 1xje s ARG 514 Cb -0.15 -2.50 0.02 0.00 0.00 0.00 0.00 34.95 32.32 1xje s ARG 514 CO 0.09 0.09 -0.13 -0.06 0.00 0.00 0.00 175.30 175.28 1xje s PHE 515 N -2.22 2.12 -0.18 -0.53 0.40 -1.26 -1.78 117.98 114.53 1xje s PHE 515 Ca 0.48 -1.21 -0.06 0.00 -0.60 0.00 0.00 56.93 55.55 1xje s PHE 515 Cb -0.10 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.83 1xje s PHE 515 CO 0.30 -0.66 0.02 0.08 0.70 0.00 0.00 175.22 175.65 1xje s VAL 516 N 1.50 4.30 -0.24 -0.44 1.01 -0.99 -4.94 120.40 120.61 1xje s VAL 516 Ca 0.04 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1xje s VAL 516 Cb -0.13 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1xje s VAL 516 CO -0.10 0.45 1.52 -0.89 0.00 0.00 0.00 175.10 176.08 1xje s THR 517 N 0.59 3.84 -0.03 3.92 2.01 -1.26 -2.01 115.64 122.69 1xje s THR 517 Ca 0.01 0.95 -0.11 0.00 0.31 0.00 0.00 61.69 62.84 1xje s THR 517 Cb -0.14 -3.84 -0.31 0.00 0.01 0.00 0.00 72.50 68.22 1xje s THR 517 CO 0.02 -0.33 0.72 0.50 -0.69 0.00 0.00 174.62 174.84 1xje h LYS 518 N 10.20 0.41 -2.89 4.92 3.64 -1.59 -3.47 116.57 127.80 1xje h LYS 518 Ca -0.31 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.37 1xje h LYS 518 Cb 1.14 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1xje h LYS 518 CO 1.01 1.32 -0.68 -1.91 -2.27 0.00 0.00 179.45 176.92 1xje n GLU 519 N -3.60 -3.65 0.00 1.90 2.13 -1.26 -4.86 120.64 111.30 1xje n GLU 519 Ca -0.23 2.65 0.00 0.00 0.66 0.00 0.00 57.16 60.24 1xje n GLU 519 Cb 1.08 -2.93 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1xje n GLU 519 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1xje n ASP 520 N -0.05 0.00 0.00 4.31 5.75 -1.26 -4.99 116.55 120.31 1xje n ASP 520 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1xje n ASP 520 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1xje n ASP 520 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xje n GLY 521 N 0.00 4.04 0.27 6.12 0.00 -1.26 -5.17 105.19 109.19 1xje n GLY 521 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 46.02 45.08 1xje n GLY 521 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xje n THR 522 N -1.49 -0.36 -3.22 2.61 -2.24 -1.26 -4.69 114.28 103.63 1xje n THR 522 Ca 0.00 0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.91 1xje n THR 522 Cb 0.00 -0.35 0.02 0.00 -2.10 0.00 0.00 70.33 67.90 1xje n THR 522 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1xje n LYS 523 N -2.02 -1.56 -3.16 -0.78 2.85 -0.88 -1.64 118.16 110.97 1xje n LYS 523 Ca -0.01 1.20 -0.42 0.00 -1.05 0.00 0.00 58.31 58.03 1xje n LYS 523 Cb 0.10 -5.35 -0.07 0.00 -0.65 0.00 0.00 35.03 29.06 1xje n LYS 523 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1xje s GLU 524 N -3.75 3.41 0.17 -1.58 -6.30 -0.85 -4.92 118.70 104.87 1xje s GLU 524 Ca 0.15 -0.29 -0.30 0.00 -2.50 0.00 0.00 54.97 52.03 1xje s GLU 524 Cb -0.03 -3.90 -0.08 0.00 0.00 0.00 0.00 34.13 30.13 1xje s GLU 524 CO 0.77 -0.87 1.20 -1.25 0.02 0.00 0.00 175.26 175.14 1xje s PRO 525 N 2.64 4.48 -0.13 4.30 0.04 -1.26 -2.35 135.00 142.71 1xje s PRO 525 Ca 0.21 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1xje s PRO 525 Cb -0.15 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 1xje s PRO 525 CO 0.16 -0.12 -0.14 -0.11 0.04 0.00 0.00 177.00 176.83 1xje n LEU 526 N 2.75 1.74 -0.53 -3.56 7.94 -0.73 -4.99 117.00 119.61 1xje n LEU 526 Ca 0.05 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1xje n LEU 526 Cb 0.45 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1xje n LEU 526 CO 0.56 0.44 0.00 -0.11 -1.11 0.00 0.00 177.39 177.17 1xje n LEU 527 N -3.30 -1.45 -4.53 -1.96 7.94 -1.26 -4.92 117.00 107.52 1xje n LEU 527 Ca -0.24 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.31 1xje n LEU 527 Cb 0.70 -0.73 -0.11 0.00 0.53 0.00 0.00 43.42 43.81 1xje n LEU 527 CO 0.06 0.00 -0.30 -0.47 -1.11 0.00 0.00 177.39 175.56 1xje s TYR 528 N 0.00 3.11 -0.05 1.96 5.04 0.20 -4.83 117.35 122.79 1xje s TYR 528 Ca 0.00 -0.21 0.06 0.00 -2.44 0.00 0.00 57.07 54.48 1xje s TYR 528 Cb 0.00 -2.06 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 1xje s TYR 528 CO 0.00 -0.05 -0.22 0.08 -1.34 0.00 0.00 175.55 174.02 1xje s VAL 529 N 0.65 2.38 -0.08 3.14 1.01 -1.26 -1.23 120.40 125.01 1xje s VAL 529 Ca 0.01 -0.97 -0.39 0.00 0.00 0.00 0.00 61.98 60.63 1xje s VAL 529 Cb -0.14 -1.88 -0.17 0.00 0.00 0.00 0.00 36.38 34.19 1xje s VAL 529 CO 0.02 0.58 1.46 -3.20 0.00 0.00 0.00 175.10 173.95 1xje n ASN 530 N 2.66 1.65 -0.28 3.32 2.85 0.12 -4.79 115.26 120.79 1xje n ASN 530 Ca -0.17 1.11 -0.02 0.00 -0.11 0.00 0.00 54.58 55.39 1xje n ASN 530 Cb 0.52 -1.12 0.09 0.00 1.24 0.00 0.00 39.78 40.51 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 5.25 0.95 -0.81 1.20 5.75 -1.99 -1.29 115.11 124.17 1xje h GLN 531 Ca -0.47 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 57.97 1xje h GLN 531 Cb 1.34 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.64 1xje h GLN 531 CO 0.83 0.63 0.50 0.28 -2.65 0.00 0.00 178.83 178.42 1xje h VAL 532 N 0.97 1.22 -0.31 2.39 2.07 -1.96 -1.66 116.25 118.98 1xje h VAL 532 Ca 0.31 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1xje h VAL 532 Cb 0.01 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1xje h VAL 532 CO -0.11 0.23 0.19 0.25 0.02 0.00 0.00 177.57 178.15 1xje h LEU 533 N 1.10 0.36 -0.93 2.57 5.85 -1.82 -1.56 115.31 120.89 1xje h LEU 533 Ca 0.29 -0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.18 1xje h LEU 533 Cb -0.06 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 40.77 1xje h LEU 533 CO -0.06 0.29 0.49 -0.09 -0.34 0.00 0.00 178.44 178.73 1xje h ARG 534 N 0.40 0.55 0.01 1.25 9.65 -0.46 -0.21 114.38 125.58 1xje h ARG 534 Ca 0.11 -0.03 -0.20 0.00 -1.10 0.00 0.00 59.98 58.76 1xje h ARG 534 Cb -0.01 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 1xje h ARG 534 CO -0.02 0.36 -0.93 0.93 2.80 0.00 0.00 179.97 183.11 1xje h GLU 535 N 0.57 0.07 0.08 0.20 5.08 -0.88 -3.34 114.58 116.36 1xje h GLU 535 Ca 0.56 -0.10 -0.33 0.00 -1.00 0.00 0.00 59.36 58.49 1xje h GLU 535 Cb 0.96 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1xje h GLU 535 CO -0.45 0.95 -1.81 0.87 -1.00 0.00 0.00 179.01 177.57 1xje h LYS 536 N 0.03 0.17 -6.22 2.33 1.79 -0.68 -3.46 116.57 110.53 1xje h LYS 536 Ca -0.03 -0.29 -0.55 0.00 -2.18 0.00 0.00 60.65 57.60 1xje h LYS 536 Cb 1.62 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 32.34 1xje h LYS 536 CO 0.13 0.94 0.20 -1.17 -1.08 0.00 0.00 179.45 178.47 1xje s LEU 537 N -6.69 4.36 -0.41 2.94 2.96 -0.15 -4.98 118.68 116.72 1xje s LEU 537 Ca -0.14 1.41 -0.42 0.00 -0.22 0.00 0.00 54.13 54.76 1xje s LEU 537 Cb 0.07 -3.29 -0.17 0.00 0.50 0.00 0.00 46.19 43.30 1xje s LEU 537 CO 0.80 -0.14 1.84 -3.20 -1.32 0.00 0.00 176.35 174.34 1xje n ASN 538 N 3.63 1.65 0.31 3.68 4.05 -1.26 -4.84 115.26 122.48 1xje n ASN 538 Ca 0.01 0.94 0.19 0.00 0.45 0.00 0.00 54.58 56.17 1xje n ASN 538 Cb 0.51 -1.02 1.04 0.00 1.23 0.00 0.00 39.78 41.54 1xje n ASN 538 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1xje h PRO 539 N 7.57 0.00 0.35 1.20 0.11 -1.94 -1.58 132.00 137.73 1xje h PRO 539 Ca -0.36 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1xje h PRO 539 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1xje h PRO 539 CO 1.00 0.01 -0.17 1.49 -0.21 0.00 0.00 178.00 180.13 1xje h GLU 540 N 0.00 -0.46 -0.56 1.05 4.81 -2.01 -2.53 114.58 114.89 1xje h GLU 540 Ca -0.00 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1xje h GLU 540 Cb 0.08 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.47 1xje h GLU 540 CO 0.00 -0.16 0.04 0.82 -0.73 0.00 0.00 179.01 178.98 1xje h ILE 541 N -0.76 0.59 -0.37 2.32 2.04 -1.69 -2.60 117.51 117.04 1xje h ILE 541 Ca -0.05 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1xje h ILE 541 Cb 0.51 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1xje h ILE 541 CO 0.08 0.03 0.11 0.25 0.00 0.00 0.00 178.15 178.62 1xje h LEU 542 N 0.16 0.09 -1.33 1.44 7.12 -1.39 -0.34 115.31 121.06 1xje h LEU 542 Ca 0.29 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.34 1xje h LEU 542 Cb 0.44 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 1xje h LEU 542 CO -0.44 0.09 0.38 0.50 -0.13 0.00 0.00 178.44 178.84 1xje h LYS 543 N 0.25 0.84 -0.22 1.25 3.64 -1.16 -0.90 116.57 120.27 1xje h LYS 543 Ca 0.17 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1xje h LYS 543 Cb 0.17 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1xje h LYS 543 CO -0.19 0.58 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.43 1xje h ARG 544 N 0.85 0.42 0.00 1.90 2.43 -0.88 -3.34 114.38 115.76 1xje h ARG 544 Ca 0.23 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1xje h ARG 544 Cb -0.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1xje h ARG 544 CO -0.04 0.66 -0.96 0.44 -1.51 0.00 0.00 179.97 178.55 1xje n ILE 545 N -4.60 0.33 0.25 1.20 -5.35 -0.25 -4.51 119.36 106.43 1xje n ILE 545 Ca -0.04 -0.35 0.09 0.00 -0.27 0.00 0.00 62.75 62.18 1xje n ILE 545 Cb 0.28 -0.04 0.65 0.00 -1.74 0.00 0.00 39.64 38.79 1xje n ILE 545 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 1xje h GLU 546 N 0.00 0.00 0.48 6.28 4.11 -1.30 -0.02 114.58 124.14 1xje h GLU 546 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1xje h GLU 546 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1xje h GLU 546 CO 0.00 0.12 -0.23 0.87 0.07 0.00 0.00 179.01 179.83 1xje h LYS 547 N 0.00 -0.63 -0.01 1.06 1.57 -1.82 -1.07 116.57 115.67 1xje h LYS 547 Ca -0.00 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1xje h LYS 547 Cb 0.24 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1xje h LYS 547 CO 0.02 -0.42 -0.16 1.49 -0.57 0.00 0.00 179.45 179.81 1xje h GLU 548 N -0.65 0.02 -0.16 3.15 4.81 -1.50 -2.31 114.58 117.94 1xje h GLU 548 Ca -0.07 -0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 1xje h GLU 548 Cb 0.50 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.88 1xje h GLU 548 CO 0.11 0.18 -0.69 1.25 -0.73 0.00 0.00 179.01 179.13 1xje h LEU 549 N 0.02 0.88 -0.77 1.64 5.85 -0.79 -0.21 115.31 121.92 1xje h LEU 549 Ca 0.00 -0.62 -0.05 0.00 0.84 0.00 0.00 57.88 58.05 1xje h LEU 549 Cb 0.29 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1xje h LEU 549 CO 0.02 1.35 0.28 0.40 -0.34 0.00 0.00 178.44 180.15 1xje h ILE 550 N 0.46 1.26 -0.13 4.05 2.04 -0.98 0.05 117.51 124.26 1xje h ILE 550 Ca -0.04 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 1xje h ILE 550 Cb 1.32 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1xje h ILE 550 CO 0.14 0.35 -0.13 -0.08 0.00 0.00 0.00 178.15 178.43 1xje h GLU 551 N 1.14 0.32 0.00 2.37 4.81 -1.29 -3.30 114.58 118.62 1xje h GLU 551 Ca 0.25 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1xje h GLU 551 Cb 0.26 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1xje h GLU 551 CO -0.01 0.72 -0.70 1.63 -0.73 0.00 0.00 179.01 179.91 1xje n LYS 552 N -4.58 0.10 -1.22 1.92 5.02 -0.10 -4.97 118.16 114.32 1xje n LYS 552 Ca -0.06 0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.16 1xje n LYS 552 Cb 0.35 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1xje n LYS 552 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xje n GLY 553 N 1.45 0.80 3.44 0.72 0.00 0.00 -4.93 105.19 106.67 1xje n GLY 553 Ca 0.04 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.37 -0.54 0.30 1.61 0.15 -1.25 -4.80 113.70 106.80 1xje s SER 554 Ca 0.00 0.27 0.24 0.00 0.70 0.00 0.00 55.95 57.16 1xje s SER 554 Cb 0.00 0.54 0.54 0.00 -1.71 0.00 0.00 66.02 65.39 1xje s SER 554 CO 0.00 -0.77 1.64 -0.07 1.20 0.00 0.00 173.24 175.24 1xje h LEU 555 N 2.60 0.00 -0.98 3.45 3.38 -1.91 -3.43 115.31 118.43 1xje h LEU 555 Ca -0.31 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 57.81 1xje h LEU 555 Cb 1.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 1xje h LEU 555 CO 0.40 0.01 0.59 0.07 0.09 0.00 0.00 178.44 179.59 1xje h LYS 556 N 0.00 0.78 -0.62 1.13 2.10 -1.93 -0.96 116.57 117.07 1xje h LYS 556 Ca 0.00 -0.05 -0.38 0.00 -2.00 0.00 0.00 60.65 58.22 1xje h LYS 556 Cb 0.86 -0.17 -0.23 0.00 -0.90 0.00 0.00 32.23 31.79 1xje h LYS 556 CO 0.00 0.51 0.01 -0.25 -2.00 0.00 0.00 179.45 177.72 1xje n ASP 557 N -4.75 4.02 -4.76 7.07 8.00 -1.26 -4.96 116.55 119.91 1xje n ASP 557 Ca 0.21 -3.77 -0.36 0.00 0.71 0.00 0.00 54.79 51.59 1xje n ASP 557 Cb 0.50 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.86 1xje n ASP 557 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xje s ILE 558 N -3.82 5.41 0.31 0.53 1.01 -0.37 -5.06 121.20 119.22 1xje s ILE 558 Ca 0.51 0.24 -0.27 0.00 0.00 0.00 0.00 60.65 61.12 1xje s ILE 558 Cb 0.43 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.33 1xje s ILE 558 CO 0.01 0.47 1.01 -2.16 0.00 0.00 0.00 174.94 174.27 1xje s PRO 559 N 0.12 4.57 -1.33 2.79 0.04 -1.26 -3.68 135.00 136.25 1xje s PRO 559 Ca 0.10 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1xje s PRO 559 Cb -0.11 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1xje s PRO 559 CO -0.00 0.22 0.00 -0.25 0.04 0.00 0.00 177.00 177.01 1xje n ASP 560 N 0.81 -4.47 -4.71 6.66 8.00 -1.26 -5.01 116.55 116.58 1xje n ASP 560 Ca 0.01 0.24 -0.38 0.00 0.71 0.00 0.00 54.79 55.37 1xje n ASP 560 Cb 0.48 -3.27 -0.07 0.00 -0.02 0.00 0.00 41.12 38.24 1xje n ASP 560 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xje s VAL 561 N -2.54 5.22 0.47 2.53 1.01 -1.24 -5.06 120.40 120.79 1xje s VAL 561 Ca 0.00 0.78 -0.23 0.00 0.00 0.00 0.00 61.98 62.53 1xje s VAL 561 Cb 0.00 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 1xje s VAL 561 CO 0.00 0.31 1.09 -2.65 0.00 0.00 0.00 175.10 173.86 1xje n PRO 562 N 3.93 1.43 -0.25 2.72 -0.02 -1.26 -4.79 135.00 136.76 1xje n PRO 562 Ca -0.08 0.52 -0.06 0.00 -2.02 0.00 0.00 63.50 61.85 1xje n PRO 562 Cb 0.51 -2.20 0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1xje n PRO 562 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xje h GLU 563 N 1.43 0.98 -0.90 -0.52 4.57 -1.99 -1.40 114.58 116.76 1xje h GLU 563 Ca -0.47 -0.13 0.11 0.00 -1.18 0.00 0.00 59.36 57.69 1xje h GLU 563 Cb 1.33 -0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 29.67 1xje h GLU 563 CO 0.56 0.75 0.58 0.87 -1.18 0.00 0.00 179.01 180.59 1xje h LYS 564 N 0.96 0.84 -0.26 1.92 1.57 -2.00 0.47 116.57 120.07 1xje h LYS 564 Ca 0.24 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 1xje h LYS 564 Cb 0.07 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1xje h LYS 564 CO -0.04 0.55 -0.49 0.82 -0.57 0.00 0.00 179.45 179.73 1xje h ILE 565 N 0.86 1.29 -0.92 1.86 1.08 -1.78 -2.39 117.51 117.52 1xje h ILE 565 Ca 0.42 -1.68 0.01 0.00 -0.39 0.00 0.00 64.86 63.22 1xje h ILE 565 Cb 0.46 1.70 -0.05 0.00 -3.07 0.00 0.00 36.82 35.87 1xje h ILE 565 CO -0.19 0.54 0.60 0.11 -0.69 0.00 0.00 178.15 178.52 1xje h LYS 566 N 0.54 1.22 -0.10 2.37 1.57 -0.14 -0.82 116.57 121.21 1xje h LYS 566 Ca 0.01 -0.08 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 1xje h LYS 566 Cb 1.09 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1xje h LYS 566 CO 0.11 0.81 -0.86 0.87 -0.57 0.00 0.00 179.45 179.81 1xje h LYS 567 N 1.25 0.72 0.02 3.15 1.79 -0.88 -3.32 116.57 119.30 1xje h LYS 567 Ca 0.33 -0.65 -0.11 0.00 -2.18 0.00 0.00 60.65 58.04 1xje h LYS 567 Cb -0.13 0.15 0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1xje h LYS 567 CO -0.07 1.25 -0.44 0.28 -1.08 0.00 0.00 179.45 179.39 1xje h VAL 568 N 0.47 1.51 -1.10 0.50 2.07 -1.32 -3.38 116.25 115.00 1xje h VAL 568 Ca -0.08 -2.09 -0.74 0.00 0.82 0.00 0.00 66.70 64.61 1xje h VAL 568 Cb 1.50 2.79 -0.12 0.00 -1.52 0.00 0.00 31.29 33.94 1xje h VAL 568 CO 0.17 0.59 2.47 0.49 0.02 0.00 0.00 177.57 181.31 1xje n PHE 569 N -4.35 2.65 -2.95 1.57 3.01 -0.32 -4.57 117.46 112.49 1xje n PHE 569 Ca -0.10 -2.84 -0.33 0.00 1.01 0.00 0.00 57.45 55.18 1xje n PHE 569 Cb 0.61 -1.91 -0.07 0.00 -0.01 0.00 0.00 39.48 38.10 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 -0.60 4.48 0.43 -4.37 -7.23 -1.26 -4.75 120.40 107.10 1xje s VAL 570 Ca 0.53 1.33 0.07 0.00 -1.81 0.00 0.00 61.98 62.09 1xje s VAL 570 Cb 0.17 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.39 1xje s VAL 570 CO -0.07 -0.18 0.14 0.68 -0.31 0.00 0.00 175.10 175.36 1xje s VAL 571 N -2.00 2.13 0.22 1.32 -7.23 -1.26 -4.59 120.40 108.99 1xje s VAL 571 Ca 0.56 -1.77 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 1xje s VAL 571 Cb -0.11 -2.90 0.23 0.00 0.56 0.00 0.00 36.38 34.15 1xje s VAL 571 CO 0.16 0.00 1.65 0.00 -0.31 0.00 0.00 175.10 176.60 1xje h ALA 572 N 1.46 0.62 0.00 1.32 0.00 -1.34 -0.58 119.26 120.74 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 1.26 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1xje h ALA 572 CO 0.72 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1xje n LEU 573 N -5.32 0.29 0.26 0.00 4.77 -1.26 -2.01 117.00 113.73 1xje n LEU 573 Ca 0.10 0.54 0.17 0.00 -0.03 0.00 0.00 56.01 56.78 1xje n LEU 573 Cb 0.38 -0.45 0.67 0.00 -2.33 0.00 0.00 43.42 41.68 1xje n LEU 573 CO 0.08 -0.13 0.98 0.44 -1.33 0.00 0.00 177.39 177.43 1xje h ASP 574 N 0.00 0.00 -3.43 -1.43 3.32 -1.49 -3.44 116.42 109.95 1xje h ASP 574 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1xje h ASP 574 Cb 0.52 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.91 1xje h ASP 574 CO 0.00 0.00 -0.55 -0.63 -1.72 0.00 0.00 179.24 176.34 1xje s ILE 575 N -3.63 4.97 0.67 0.35 1.01 -0.85 -4.97 121.20 118.75 1xje s ILE 575 Ca 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.59 1xje s ILE 575 Cb 0.09 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 1xje s ILE 575 CO 0.53 0.41 1.05 1.51 0.00 0.00 0.00 174.94 178.44 1xje s ASP 576 N 0.75 5.58 0.27 3.58 1.47 -1.26 -4.78 116.67 122.28 1xje s ASP 576 Ca 0.05 1.59 -0.00 0.00 1.18 0.00 0.00 52.55 55.37 1xje s ASP 576 Cb -0.13 -2.49 0.51 0.00 -0.34 0.00 0.00 42.92 40.46 1xje s ASP 576 CO 0.02 -1.31 1.83 -0.65 0.68 0.00 0.00 175.17 175.74 1xje h PRO 577 N -0.54 0.90 -0.38 2.11 0.11 -1.96 -1.08 132.00 131.16 1xje h PRO 577 Ca -0.44 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1xje h PRO 577 Cb 1.21 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1xje h PRO 577 CO 0.58 0.59 0.05 0.52 -0.21 0.00 0.00 178.00 179.53 1xje h MET 578 N 0.92 0.57 -0.06 1.05 2.86 -1.93 -0.60 114.93 117.75 1xje h MET 578 Ca 0.47 -0.11 -0.17 0.00 -2.06 0.00 0.00 59.70 57.83 1xje h MET 578 Cb 0.46 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1xje h MET 578 CO -0.26 0.56 -0.70 -0.44 1.06 0.00 0.00 176.91 177.13 1xje h ASP 579 N 0.56 0.34 0.00 1.22 3.32 -1.60 0.12 116.42 120.37 1xje h ASP 579 Ca 0.12 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1xje h ASP 579 Cb 0.28 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1xje h ASP 579 CO 0.00 0.93 -0.06 0.45 -1.72 0.00 0.00 179.24 178.84 1xje h HIS 580 N 0.20 -0.15 -0.31 4.55 3.86 -0.80 -2.68 115.15 119.81 1xje h HIS 580 Ca -0.02 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1xje h HIS 580 Cb 1.25 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 1xje h HIS 580 CO 0.03 -0.10 0.14 1.25 0.86 0.00 0.00 177.93 180.11 1xje h LEU 581 N -0.11 0.42 -1.32 2.43 5.85 -0.79 -2.41 115.31 119.38 1xje h LEU 581 Ca 0.03 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1xje h LEU 581 Cb 0.14 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1xje h LEU 581 CO -0.06 0.44 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.09 1xje h LEU 582 N 0.37 0.00 -0.45 2.25 3.38 -0.82 -1.93 115.31 118.11 1xje h LEU 582 Ca 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1xje h LEU 582 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xje h LEU 582 CO -0.01 0.32 -0.34 -0.03 0.09 0.00 0.00 178.44 178.46 1xje h MET 583 N 0.00 0.91 -0.52 1.13 4.05 -1.11 -2.32 114.93 117.07 1xje h MET 583 Ca -0.00 -0.45 0.08 0.00 -0.28 0.00 0.00 59.70 59.04 1xje h MET 583 Cb 0.64 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 1xje h MET 583 CO 0.04 1.11 0.16 0.37 0.23 0.00 0.00 176.91 178.82 1xje h GLN 584 N 0.76 0.31 -0.95 0.39 4.15 -1.03 -2.31 115.11 116.42 1xje h GLN 584 Ca 0.07 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1xje h GLN 584 Cb 0.92 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.49 1xje h GLN 584 CO 0.09 0.21 0.63 0.22 -1.93 0.00 0.00 178.83 178.04 1xje h ASP 585 N 0.32 1.06 -0.17 -0.69 1.82 -1.24 -0.32 116.42 117.21 1xje h ASP 585 Ca 0.26 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.86 1xje h ASP 585 Cb 0.31 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 1xje h ASP 585 CO -0.29 0.74 0.04 0.00 -1.61 0.00 0.00 179.24 178.12 1xje h ALA 586 N 1.43 0.22 -0.40 -0.78 0.00 -0.88 -1.65 119.26 117.20 1xje h ALA 586 Ca 0.37 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1xje h ALA 586 Cb -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xje h ALA 586 CO -0.10 -0.13 0.04 0.74 0.00 0.00 0.00 179.25 179.79 1xje h PHE 587 N 0.07 0.73 0.00 0.00 0.04 -1.36 -3.26 116.94 113.16 1xje h PHE 587 Ca 0.05 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1xje h PHE 587 Cb 0.27 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1xje h PHE 587 CO 0.01 0.73 -0.12 0.37 -0.60 0.00 0.00 178.31 178.70 1xje h GLN 588 N 0.52 0.00 0.00 1.51 5.75 -0.68 -1.37 115.11 120.83 1xje h GLN 588 Ca 0.12 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1xje h GLN 588 Cb 0.41 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 1xje h GLN 588 CO 0.01 0.12 -0.01 0.00 -2.65 0.00 0.00 178.83 176.31 1xje h ARG 589 N 0.00 0.00 0.00 1.69 3.08 -1.35 -2.99 114.38 114.81 1xje h ARG 589 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1xje h ARG 589 Cb 0.26 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.21 1xje h ARG 589 CO 0.02 0.01 -0.56 0.66 -1.07 0.00 0.00 179.97 179.02 1xje n TYR 590 N -3.34 0.00 -4.69 3.04 4.01 -0.53 -0.35 117.16 115.29 1xje n TYR 590 Ca -0.03 -1.07 -0.27 0.00 -0.16 0.00 0.00 57.90 56.37 1xje n TYR 590 Cb 0.09 -0.20 -0.17 0.00 -0.31 0.00 0.00 39.34 38.76 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 -2.15 1.39 -0.07 -0.72 1.01 -1.13 -4.67 120.40 114.07 1xje s VAL 591 Ca 0.33 -0.62 0.14 0.00 0.00 0.00 0.00 61.98 61.83 1xje s VAL 591 Cb 0.34 -1.25 -0.12 0.00 0.00 0.00 0.00 36.38 35.34 1xje s VAL 591 CO -0.08 0.41 1.00 -2.24 0.00 0.00 0.00 175.10 174.20 1xje h ASP 592 N 7.00 0.00 0.00 3.32 -0.00 -1.75 -3.44 116.42 121.56 1xje h ASP 592 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.75 1xje h ASP 592 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.53 1xje h ASP 592 CO 0.47 0.72 0.00 0.59 -0.00 0.00 0.00 179.24 181.02 1xje n ASN 593 N -3.07 0.00 -1.08 4.15 3.02 -1.04 -4.91 115.26 112.32 1xje n ASN 593 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1xje n ASN 593 Cb 0.88 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 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 0.58 -3.83 6.41 3.02 -0.07 -4.97 115.26 116.40 1xje n ASN 594 Ca 0.00 -0.54 -0.16 0.00 -0.03 0.00 0.00 54.58 53.85 1xje n ASN 594 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 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 1.01 0.13 -0.27 2.41 1.01 -1.26 -3.38 121.20 120.86 1xje s ILE 595 Ca 0.00 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.46 1xje s ILE 595 Cb 0.00 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.27 1xje s ILE 595 CO 0.00 0.11 0.90 -0.55 0.00 0.00 0.00 174.94 175.40 1xje s SER 596 N 0.75 6.86 -0.17 3.58 0.15 -0.12 -4.64 113.70 120.11 1xje s SER 596 Ca -0.07 1.02 -0.07 0.00 0.70 0.00 0.00 55.95 57.52 1xje s SER 596 Cb -0.10 -2.47 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 1xje s SER 596 CO -0.02 -0.63 0.38 -0.75 1.20 0.00 0.00 173.24 173.43 1xje s LYS 597 N 3.07 0.32 -0.18 5.44 2.47 -1.26 -4.77 119.74 124.83 1xje s LYS 597 Ca 0.38 0.85 -0.18 0.00 -1.56 0.00 0.00 55.97 55.46 1xje s LYS 597 Cb -0.14 0.10 -0.04 0.00 -1.46 0.00 0.00 37.83 36.29 1xje s LYS 597 CO 0.10 -0.21 0.47 0.99 0.16 0.00 0.00 175.35 176.86 1xje s THR 598 N 1.96 5.15 -0.74 3.43 2.01 -1.26 -4.14 115.64 122.05 1xje s THR 598 Ca -0.05 0.87 -0.24 0.00 0.31 0.00 0.00 61.69 62.58 1xje s THR 598 Cb -0.10 -3.80 0.06 0.00 0.01 0.00 0.00 72.50 68.66 1xje s THR 598 CO -0.12 0.23 1.15 -0.63 -0.69 0.00 0.00 174.62 174.57 1xje s ILE 599 N 1.33 4.05 0.20 1.82 -1.09 0.17 -4.94 121.20 122.74 1xje s ILE 599 Ca 0.23 -0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.21 1xje s ILE 599 Cb -0.15 -4.83 -0.08 0.00 -1.58 0.00 0.00 42.46 35.82 1xje s ILE 599 CO 0.09 -1.68 1.15 0.20 -1.23 0.00 0.00 174.94 173.47 1xje s ASN 600 N 3.82 7.18 0.01 3.58 0.01 -1.26 -1.86 114.94 126.41 1xje s ASN 600 Ca 0.30 2.20 0.05 0.00 -0.71 0.00 0.00 52.86 54.71 1xje s ASN 600 Cb -0.11 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 1xje s ASN 600 CO 0.09 -0.28 -0.16 -0.04 -1.51 0.00 0.00 177.10 175.21 1xje s MET 601 N -0.55 1.18 0.64 -0.60 -1.94 0.06 -4.20 119.30 113.89 1xje s MET 601 Ca 0.50 -0.66 -0.17 0.00 -1.71 0.00 0.00 55.69 53.65 1xje s MET 601 Cb -0.32 -1.17 -0.01 0.00 2.01 0.00 0.00 34.83 35.34 1xje s MET 601 CO 0.37 0.31 1.17 -1.25 -0.01 0.00 0.00 175.02 175.62 1xje s PRO 602 N -0.68 2.74 0.57 2.03 0.04 -1.26 -0.32 135.00 138.12 1xje s PRO 602 Ca 0.05 1.67 0.28 0.00 0.04 0.00 0.00 61.00 63.04 1xje s PRO 602 Cb -0.07 -1.92 1.51 0.00 0.04 0.00 0.00 34.50 34.07 1xje s PRO 602 CO 0.00 -1.35 2.00 0.37 0.04 0.00 0.00 177.00 178.06 1xje h GLN 603 N 0.38 0.00 -0.00 4.56 4.15 -1.91 0.22 115.11 122.50 1xje h GLN 603 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1xje h GLN 603 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1xje h GLN 603 CO 0.53 0.00 -0.01 -1.13 -1.93 0.00 0.00 178.83 176.30 1xje n SER 604 N -3.97 0.05 -4.75 -0.69 3.41 -1.26 -4.87 113.62 101.55 1xje n SER 604 Ca 0.06 -0.56 -0.38 0.00 -0.26 0.00 0.00 58.87 57.74 1xje n SER 604 Cb 0.53 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.37 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 -2.31 2.70 0.43 7.33 0.00 0.06 -5.04 121.76 124.93 1xje s ALA 605 Ca 0.37 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.62 1xje s ALA 605 Cb 0.21 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1xje s ALA 605 CO 0.42 -1.31 0.54 0.95 0.00 0.00 0.00 175.76 176.36 1xje s THR 606 N -1.40 2.83 0.25 0.00 -4.23 -1.26 -5.00 115.64 106.84 1xje s THR 606 Ca 0.74 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.10 1xje s THR 606 Cb -0.37 -2.92 0.25 0.00 1.34 0.00 0.00 72.50 70.80 1xje s THR 606 CO 0.42 0.00 1.92 0.58 -0.54 0.00 0.00 174.62 177.00 1xje h VAL 607 N 0.70 1.23 -0.87 2.29 2.07 -1.96 -1.89 116.25 117.82 1xje h VAL 607 Ca -0.40 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 66.78 1xje h VAL 607 Cb 1.28 -0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1xje h VAL 607 CO 0.48 0.24 0.50 0.44 0.02 0.00 0.00 177.57 179.25 1xje h ASP 608 N 1.31 0.72 -0.78 0.57 3.32 -1.96 0.45 116.42 120.05 1xje h ASP 608 Ca 0.37 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 1xje h ASP 608 Cb -0.12 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1xje h ASP 608 CO -0.09 0.40 0.46 0.44 -1.72 0.00 0.00 179.24 178.73 1xje h ASP 609 N 0.83 0.95 -0.14 6.45 3.32 -1.75 -1.05 116.42 125.02 1xje h ASP 609 Ca 0.42 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 1xje h ASP 609 Cb 0.41 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1xje h ASP 609 CO -0.26 0.73 0.03 0.58 -1.72 0.00 0.00 179.24 178.60 1xje h VAL 610 N 1.08 1.21 -0.87 -1.35 2.07 -0.72 -2.35 116.25 115.32 1xje h VAL 610 Ca 0.28 -0.66 0.12 0.00 0.82 0.00 0.00 66.70 67.26 1xje h VAL 610 Cb -0.03 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 1xje h VAL 610 CO -0.05 0.20 0.49 -0.07 0.02 0.00 0.00 177.57 178.16 1xje h LEU 611 N 0.02 0.67 -1.10 2.57 3.38 -0.67 -1.73 115.31 118.45 1xje h LEU 611 Ca 0.04 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1xje h LEU 611 Cb 0.28 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1xje h LEU 611 CO 0.00 0.34 -0.13 0.78 0.09 0.00 0.00 178.44 179.52 1xje h ASN 612 N 0.76 0.47 -0.55 -0.43 -0.26 -1.03 0.60 115.58 115.13 1xje h ASN 612 Ca 0.45 -0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 56.07 1xje h ASN 612 Cb 0.52 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.63 1xje h ASN 612 CO -0.30 0.63 0.34 0.58 -1.06 0.00 0.00 177.43 177.61 1xje h VAL 613 N 0.45 1.16 -0.49 2.81 2.07 -0.79 0.08 116.25 121.54 1xje h VAL 613 Ca 0.08 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1xje h VAL 613 Cb 0.49 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1xje h VAL 613 CO 0.03 0.16 0.06 1.88 0.02 0.00 0.00 177.57 179.72 1xje h TYR 614 N 0.74 0.88 -0.40 1.57 0.05 -0.71 0.13 116.97 119.24 1xje h TYR 614 Ca 0.20 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 1xje h TYR 614 Cb -0.03 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 1xje h TYR 614 CO -0.03 0.81 0.10 -0.07 -1.05 0.00 0.00 178.16 177.92 1xje h LEU 615 N 0.69 0.60 -1.16 3.88 3.38 -0.72 -1.91 115.31 120.07 1xje h LEU 615 Ca 0.15 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1xje h LEU 615 Cb 0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1xje h LEU 615 CO 0.01 0.68 0.08 -0.08 0.09 0.00 0.00 178.44 179.23 1xje h GLU 616 N 0.50 0.67 -0.62 1.13 4.57 -0.80 -1.99 114.58 118.04 1xje h GLU 616 Ca 0.12 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1xje h GLU 616 Cb 0.31 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1xje h GLU 616 CO 0.00 0.63 0.32 0.00 -1.18 0.00 0.00 179.01 178.78 1xje h ALA 617 N 1.45 1.41 0.00 2.92 0.00 -0.30 -1.70 119.26 123.03 1xje h ALA 617 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xje h ALA 617 Cb 0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xje h ALA 617 CO 0.00 0.48 -0.12 -0.07 0.00 0.00 0.00 179.25 179.54 1xje h LEU 618 N 0.86 0.00 0.00 0.00 3.38 -0.58 -2.81 115.31 116.16 1xje h LEU 618 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1xje h LEU 618 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xje h LEU 618 CO -0.03 0.12 -1.18 0.54 0.09 0.00 0.00 178.44 177.97 1xje n ARG 619 N -3.61 0.61 -1.10 1.13 1.74 -0.71 -4.73 116.66 109.99 1xje n ARG 619 Ca -0.02 0.13 -0.08 0.00 -0.77 0.00 0.00 57.85 57.12 1xje n ARG 619 Cb 0.24 -1.80 0.05 0.00 -1.02 0.00 0.00 32.46 29.92 1xje n ARG 619 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xje n THR 620 N -2.72 0.00 -0.68 0.55 -2.24 -0.80 -5.01 114.28 103.39 1xje n THR 620 Ca -0.03 -0.46 0.09 0.00 -2.27 0.00 0.00 64.05 61.37 1xje n THR 620 Cb 0.64 -1.37 0.37 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.04 4.94 -4.76 3.42 3.02 -1.26 -4.98 115.26 112.60 1xje n ASN 621 Ca 0.05 -2.53 -0.35 0.00 -0.03 0.00 0.00 54.58 51.72 1xje n ASN 621 Cb 0.19 -0.60 0.03 0.00 -0.61 0.00 0.00 39.78 38.79 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 -2.00 2.91 -1.70 2.41 -7.23 -1.26 -4.84 120.40 108.69 1xje s VAL 622 Ca 0.52 0.53 0.18 0.00 -1.81 0.00 0.00 61.98 61.41 1xje s VAL 622 Cb 0.35 -3.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.12 1xje s VAL 622 CO 0.23 -0.16 0.94 0.54 -0.31 0.00 0.00 175.10 176.35 1xje n ARG 623 N -1.70 1.52 -3.62 4.82 1.74 -1.26 -4.96 116.66 113.20 1xje n ARG 623 Ca 0.12 -0.90 0.01 0.00 -0.77 0.00 0.00 57.85 56.31 1xje n ARG 623 Cb 0.51 -1.35 -0.01 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.09 -0.39 -0.02 -0.13 0.00 -1.26 -0.68 107.32 102.75 1xje s GLY 624 Ca 0.15 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1xje s GLY 624 CO 0.46 0.18 -0.00 -0.42 0.00 0.00 0.00 173.10 173.31 1xje s ILE 625 N -2.45 0.14 -0.08 0.90 -1.09 -0.28 -4.98 121.20 113.36 1xje s ILE 625 Ca 0.13 0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.63 1xje s ILE 625 Cb 0.04 -0.20 0.01 0.00 -1.58 0.00 0.00 42.46 40.73 1xje s ILE 625 CO -0.04 0.10 -0.16 -0.89 -1.23 0.00 0.00 174.94 172.73 1xje s THR 626 N 0.66 1.42 0.10 2.92 2.01 -1.26 -1.75 115.64 119.73 1xje s THR 626 Ca -0.06 -0.64 0.09 0.00 0.31 0.00 0.00 61.69 61.38 1xje s THR 626 Cb -0.09 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1xje s THR 626 CO -0.01 0.42 -0.19 0.68 -0.69 0.00 0.00 174.62 174.83 1xje s VAL 627 N 0.60 2.79 -0.10 3.82 -7.23 -1.26 -0.65 120.40 118.37 1xje s VAL 627 Ca -0.15 -1.43 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1xje s VAL 627 Cb -0.16 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.58 1xje s VAL 627 CO 0.05 0.17 0.10 -0.47 -0.31 0.00 0.00 175.10 174.64 1xje s TYR 628 N -1.07 0.01 -0.21 2.82 5.04 -0.78 -4.58 117.35 118.58 1xje s TYR 628 Ca 0.17 0.19 -0.20 0.00 -2.44 0.00 0.00 57.07 54.79 1xje s TYR 628 Cb -0.10 -0.47 -0.03 0.00 0.35 0.00 0.00 41.96 41.70 1xje s TYR 628 CO 0.08 -0.32 0.58 0.50 -1.34 0.00 0.00 175.55 175.05 1xje s ARG 629 N 2.20 4.17 0.20 4.97 3.52 -1.26 -0.76 118.95 131.99 1xje s ARG 629 Ca 0.04 0.50 -0.33 0.00 -0.13 0.00 0.00 55.73 55.81 1xje s ARG 629 Cb -0.13 -3.59 -0.14 0.00 -1.56 0.00 0.00 34.95 29.52 1xje s ARG 629 CO -0.06 -0.25 1.43 -3.47 -0.81 0.00 0.00 175.30 172.14 1xje n ASP 630 N 5.12 2.63 0.00 -2.12 4.64 0.56 -1.78 116.55 125.59 1xje n ASP 630 Ca -0.03 1.12 0.00 0.00 -1.38 0.00 0.00 54.79 54.51 1xje n ASP 630 Cb 0.50 -1.39 0.00 0.00 -1.04 0.00 0.00 41.12 39.19 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 2.54 0.70 0.12 0.27 0.00 -1.26 -3.75 105.19 103.82 1xje n GLY 631 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 1xje n GLY 631 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xje h SER 632 N 0.00 0.50 -0.02 1.61 4.64 -1.65 -3.52 113.55 115.10 1xje h SER 632 Ca 0.00 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1xje h SER 632 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1xje h SER 632 CO 0.00 1.35 0.00 0.18 -0.87 0.00 0.00 176.83 177.49