#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjg s LYS 2 N 0.00 4.22 0.20 2.12 1.02 -1.26 -3.27 119.74 122.76 1xjg s LYS 2 Ca 0.00 0.81 -0.16 0.00 0.02 0.00 0.00 55.97 56.64 1xjg s LYS 2 Cb 0.00 -2.91 0.20 0.00 -0.52 0.00 0.00 37.83 34.60 1xjg s LYS 2 CO 0.00 0.42 1.61 1.25 -0.92 0.00 0.00 175.35 177.71 1xjg h LEU 3 N 3.49 -0.79 -1.43 3.17 6.46 -1.84 0.26 115.31 124.63 1xjg h LEU 3 Ca -0.48 0.20 0.23 0.00 -0.12 0.00 0.00 57.88 57.72 1xjg h LEU 3 Cb 1.19 0.45 -0.08 0.00 -0.73 0.00 0.00 40.66 41.50 1xjg h LEU 3 CO 0.65 -0.25 0.64 0.77 -0.62 0.00 0.00 178.44 179.63 1xjg h SER 4 N -0.07 0.43 0.75 1.25 4.64 -1.97 0.21 113.55 118.80 1xjg h SER 4 Ca 0.28 0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.46 1xjg h SER 4 Cb 0.50 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1xjg h SER 4 CO -0.65 0.13 -0.90 0.44 -0.87 0.00 0.00 176.83 174.98 1xjg h ASP 5 N 0.41 0.12 -0.15 4.97 3.32 -1.35 -2.91 116.42 120.84 1xjg h ASP 5 Ca 0.53 -0.11 -0.21 0.00 0.02 0.00 0.00 57.03 57.27 1xjg h ASP 5 Cb 1.34 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.86 1xjg h ASP 5 CO -0.23 0.96 -0.71 0.25 -1.72 0.00 0.00 179.24 177.78 1xjg h LEU 6 N 0.04 0.88 -1.01 1.55 5.85 -0.38 -2.66 115.31 119.58 1xjg h LEU 6 Ca -0.03 -0.63 0.14 0.00 0.84 0.00 0.00 57.88 58.19 1xjg h LEU 6 Cb 1.56 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 42.24 1xjg h LEU 6 CO 0.13 1.37 0.63 0.40 -0.34 0.00 0.00 178.44 180.62 1xjg h ILE 7 N 0.45 0.87 0.00 4.05 2.04 -0.75 -1.67 117.51 122.49 1xjg h ILE 7 Ca -0.05 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 1xjg h ILE 7 Cb 1.35 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1xjg h ILE 7 CO 0.15 0.17 -0.38 0.28 0.00 0.00 0.00 178.15 178.37 1xjg h SER 8 N 0.95 0.00 1.53 1.72 0.02 -1.33 0.28 113.55 116.71 1xjg h SER 8 Ca 0.52 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 1xjg h SER 8 Cb 0.58 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 1xjg h SER 8 CO -0.29 0.38 -0.07 -0.09 -1.14 0.00 0.00 176.83 175.63 1xjg h ARG 9 N 0.00 0.00 0.00 3.45 2.43 -0.98 -3.39 114.38 115.88 1xjg h ARG 9 Ca -0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 1xjg h ARG 9 Cb 0.96 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 1xjg h ARG 9 CO 0.05 0.07 -1.73 0.91 -1.51 0.00 0.00 179.97 177.75 1xjg n TRP 10 N -3.14 0.00 -0.34 2.20 7.02 -0.74 -4.78 117.44 117.67 1xjg n TRP 10 Ca 0.02 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.66 1xjg n TRP 10 Cb 0.46 -0.51 0.38 0.00 -2.42 0.00 0.00 31.31 29.22 1xjg n TRP 10 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 1xjg h ILE 11 N 0.00 0.63 -0.32 -0.99 2.10 -0.67 0.52 117.51 118.78 1xjg h ILE 11 Ca -0.29 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1xjg h ILE 11 Cb 1.56 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 1xjg h ILE 11 CO -0.01 0.12 0.00 0.47 -1.08 0.00 0.00 178.15 177.64 1xjg n ASP 12 N -4.75 2.13 -4.65 2.19 8.00 -1.26 -4.69 116.55 113.52 1xjg n ASP 12 Ca 0.24 -1.89 -0.40 0.00 0.71 0.00 0.00 54.79 53.46 1xjg n ASP 12 Cb 0.67 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 1xjg n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xjg s VAL 13 N -1.58 5.04 0.46 2.53 1.01 0.17 -5.06 120.40 122.96 1xjg s VAL 13 Ca 0.31 1.10 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 1xjg s VAL 13 Cb 0.16 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1xjg s VAL 13 CO 0.23 0.11 0.79 -1.61 0.00 0.00 0.00 175.10 174.62 1xjg s GLU 14 N 1.99 3.64 0.72 2.72 2.02 -1.26 -4.95 118.70 123.59 1xjg s GLU 14 Ca 0.27 0.35 -0.15 0.00 0.02 0.00 0.00 54.97 55.45 1xjg s GLU 14 Cb -0.16 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.74 1xjg s GLU 14 CO 0.10 -0.16 1.20 -2.14 0.02 0.00 0.00 175.26 174.28 1xjg s PRO 15 N -4.39 2.20 1.12 0.39 0.02 -1.26 -5.00 135.00 128.08 1xjg s PRO 15 Ca 0.49 1.72 -0.19 0.00 0.02 0.00 0.00 61.00 63.05 1xjg s PRO 15 Cb -0.10 -1.84 0.28 0.00 0.02 0.00 0.00 34.50 32.85 1xjg s PRO 15 CO 0.40 -1.78 1.03 -1.13 -0.33 0.00 0.00 177.00 175.19 1xjg n SER 16 N -2.69 -1.84 0.23 2.53 3.41 -1.26 -4.80 113.62 109.20 1xjg n SER 16 Ca 0.13 -1.15 0.11 0.00 -0.26 0.00 0.00 58.87 57.70 1xjg n SER 16 Cb 0.50 -0.93 0.53 0.00 -0.26 0.00 0.00 64.21 64.06 1xjg n SER 16 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xjg h LYS 17 N 0.00 0.00 0.16 4.33 1.57 -1.99 -1.81 116.57 118.82 1xjg h LYS 17 Ca -0.38 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.19 1xjg h LYS 17 Cb 1.16 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.49 1xjg h LYS 17 CO 0.25 0.20 -0.90 -0.97 -0.57 0.00 0.00 179.45 177.46 1xjg h ASN 18 N 0.00 0.52 -0.45 0.86 -0.73 -1.98 -2.88 115.58 110.92 1xjg h ASN 18 Ca -0.00 -0.95 -0.02 0.00 1.87 0.00 0.00 56.30 57.20 1xjg h ASN 18 Cb 0.64 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 1xjg h ASN 18 CO 0.03 1.43 0.23 0.00 -0.37 0.00 0.00 177.43 178.75 1xjg h ALA 19 N 0.09 1.51 -0.54 1.57 0.00 -1.80 -3.01 119.26 117.08 1xjg h ALA 19 Ca -0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1xjg h ALA 19 Cb 1.71 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1xjg h ALA 19 CO 0.17 0.39 -0.07 1.96 0.00 0.00 0.00 179.25 181.70 1xjg h GLN 20 N 0.67 1.00 -0.41 0.00 4.20 -1.25 0.19 115.11 119.51 1xjg h GLN 20 Ca 0.17 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.56 1xjg h GLN 20 Cb 0.06 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1xjg h GLN 20 CO -0.02 1.02 0.22 0.82 -0.67 0.00 0.00 178.83 180.20 1xjg h ILE 21 N 0.90 1.00 -0.54 2.54 2.04 -1.46 0.45 117.51 122.43 1xjg h ILE 21 Ca 0.15 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1xjg h ILE 21 Cb 0.62 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1xjg h ILE 21 CO 0.04 0.08 0.31 0.40 0.00 0.00 0.00 178.15 178.98 1xjg h ILE 22 N 0.44 1.01 0.08 -0.67 2.04 -1.20 -1.83 117.51 117.39 1xjg h ILE 22 Ca 0.17 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1xjg h ILE 22 Cb 0.05 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1xjg h ILE 22 CO -0.10 0.11 -0.04 -0.07 0.00 0.00 0.00 178.15 178.05 1xjg h LEU 23 N 0.60 -0.09 -1.28 1.44 3.38 0.71 -2.80 115.31 117.27 1xjg h LEU 23 Ca 0.23 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xjg h LEU 23 Cb 0.08 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1xjg h LEU 23 CO -0.13 0.10 0.49 0.03 0.09 0.00 0.00 178.44 179.02 1xjg h ARG 24 N -0.27 0.95 0.13 1.13 3.08 -0.92 0.41 114.38 118.89 1xjg h ARG 24 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1xjg h ARG 24 Cb 0.23 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1xjg h ARG 24 CO 0.02 0.63 -0.29 -0.44 -1.07 0.00 0.00 179.97 178.82 1xjg h ASP 25 N 0.98 -0.85 0.00 7.04 3.32 -1.12 -3.41 116.42 122.38 1xjg h ASP 25 Ca 0.27 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1xjg h ASP 25 Cb -0.09 0.30 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1xjg h ASP 25 CO -0.06 -0.33 0.00 -2.11 -1.72 0.00 0.00 179.24 175.02 1xjg n ARG 26 N -4.09 -0.33 -0.05 3.56 1.85 -1.08 -4.94 116.66 111.58 1xjg n ARG 26 Ca -0.05 -0.24 -0.10 0.00 -1.00 0.00 0.00 57.85 56.45 1xjg n ARG 26 Cb 0.24 -0.73 -0.04 0.00 -1.05 0.00 0.00 32.46 30.87 1xjg n ARG 26 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1xjg n TYR 27 N -0.02 0.00 -1.81 2.89 4.02 0.02 -4.88 117.16 117.37 1xjg n TYR 27 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1xjg n TYR 27 Cb 0.12 -0.40 -0.01 0.00 -0.02 0.00 0.00 39.34 39.03 1xjg n TYR 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xjg s PHE 28 N -2.20 2.67 0.43 -0.72 0.08 -0.50 -4.79 117.98 112.95 1xjg s PHE 28 Ca -0.15 1.04 -0.22 0.00 0.12 0.00 0.00 56.93 57.72 1xjg s PHE 28 Cb 0.05 -4.02 -0.09 0.00 -0.57 0.00 0.00 43.02 38.39 1xjg s PHE 28 CO 0.21 -3.14 1.03 1.41 -0.10 0.00 0.00 175.22 174.62 1xjg s MET 29 N -1.50 4.06 -0.08 0.44 1.75 -1.26 -4.91 119.30 117.79 1xjg s MET 29 Ca 0.56 1.40 0.02 0.00 -1.25 0.00 0.00 55.69 56.42 1xjg s MET 29 Cb -0.47 -2.34 0.01 0.00 2.84 0.00 0.00 34.83 34.88 1xjg s MET 29 CO 0.57 -0.21 -0.12 0.15 -0.65 0.00 0.00 175.02 174.75 1xjg s LYS 30 N -2.83 1.81 0.64 4.11 1.02 -1.26 -1.21 119.74 122.02 1xjg s LYS 30 Ca 0.61 -0.43 -0.14 0.00 0.02 0.00 0.00 55.97 56.03 1xjg s LYS 30 Cb -0.18 -1.55 -0.01 0.00 -0.52 0.00 0.00 37.83 35.57 1xjg s LYS 30 CO 0.23 -0.03 1.06 0.16 -0.92 0.00 0.00 175.35 175.86 1xjg s ASP 31 N 0.86 5.53 0.53 2.83 1.47 -0.92 -4.85 116.67 122.12 1xjg s ASP 31 Ca -0.11 1.77 0.29 0.00 1.18 0.00 0.00 52.55 55.69 1xjg s ASP 31 Cb -0.15 -2.52 1.58 0.00 -0.34 0.00 0.00 42.92 41.49 1xjg s ASP 31 CO 0.01 -1.34 1.87 0.17 0.68 0.00 0.00 175.17 176.57 1xjg h LEU 32 N -0.02 0.00 0.00 2.11 8.10 -2.00 0.53 115.31 124.03 1xjg h LEU 32 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.53 1xjg h LEU 32 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 1xjg h LEU 32 CO 0.57 0.00 0.00 0.47 -4.11 0.00 0.00 178.44 175.37 1xjg n ASP 33 N -2.65 0.00 0.00 0.17 10.43 -1.26 -4.84 116.55 118.40 1xjg n ASP 33 Ca -0.02 -0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.07 1xjg n ASP 33 Cb 0.21 -0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.06 1xjg n ASP 33 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xjg n GLY 34 N -0.02 0.83 1.71 0.44 0.00 0.18 -5.06 105.19 103.28 1xjg n GLY 34 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1xjg n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xjg n ASN 35 N 0.00 -0.03 -4.34 1.61 5.03 -1.12 -4.78 115.26 111.61 1xjg n ASN 35 Ca 0.00 -1.19 -0.35 0.00 0.87 0.00 0.00 54.58 53.91 1xjg n ASN 35 Cb 0.00 -0.45 -0.14 0.00 -1.02 0.00 0.00 39.78 38.17 1xjg n ASN 35 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1xjg s TYR 36 N -2.28 2.97 -0.10 3.10 2.02 -1.26 -2.17 117.35 119.63 1xjg s TYR 36 Ca 0.34 -0.80 0.21 0.00 -0.37 0.00 0.00 57.07 56.44 1xjg s TYR 36 Cb -0.01 -2.09 -0.25 0.00 -0.40 0.00 0.00 41.96 39.22 1xjg s TYR 36 CO 0.24 -0.46 0.54 1.28 -1.57 0.00 0.00 175.55 175.58 1xjg n LEU 37 N 4.61 0.24 -4.12 -1.29 4.77 -0.35 -4.89 117.00 115.98 1xjg n LEU 37 Ca -0.18 0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 1xjg n LEU 37 Cb 0.51 0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.53 1xjg n LEU 37 CO 0.30 0.07 -0.49 -1.61 -1.33 0.00 0.00 177.39 174.32 1xjg s GLU 38 N -3.26 1.52 0.00 3.23 2.02 -1.21 -4.94 118.70 116.07 1xjg s GLU 38 Ca -0.07 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1xjg s GLU 38 Cb 0.11 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 32.97 1xjg s GLU 38 CO 0.87 0.25 0.12 0.25 0.02 0.00 0.00 175.26 176.76 1xjg n THR 39 N 3.04 0.00 -3.76 3.63 -2.24 -1.26 -4.55 114.28 109.14 1xjg n THR 39 Ca -0.17 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1xjg n THR 39 Cb 0.54 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 1xjg n THR 39 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xjg s LYS 40 N -0.46 0.49 0.29 -0.78 1.02 -1.26 -5.04 119.74 113.99 1xjg s LYS 40 Ca 0.00 0.22 -0.04 0.00 0.02 0.00 0.00 55.97 56.16 1xjg s LYS 40 Cb 0.00 0.23 0.57 0.00 -0.52 0.00 0.00 37.83 38.11 1xjg s LYS 40 CO 0.00 -0.10 1.57 2.35 -0.92 0.00 0.00 175.35 178.25 1xjg h TRP 41 N 4.98 -0.33 -0.87 3.18 2.91 -2.00 0.73 115.95 124.56 1xjg h TRP 41 Ca -0.28 0.08 0.18 0.00 1.13 0.00 0.00 58.89 60.00 1xjg h TRP 41 Cb 1.18 0.30 -0.16 0.00 -0.51 0.00 0.00 29.16 29.97 1xjg h TRP 41 CO 0.45 -0.43 -0.20 -1.91 -1.03 0.00 0.00 178.44 175.33 1xjg n GLU 42 N -5.57 -0.08 0.00 2.65 2.13 -1.26 -1.43 120.64 117.09 1xjg n GLU 42 Ca 0.19 1.35 -0.11 0.00 0.66 0.00 0.00 57.16 59.25 1xjg n GLU 42 Cb 0.60 -2.03 -0.05 0.00 0.27 0.00 0.00 31.44 30.23 1xjg n GLU 42 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1xjg h ASP 43 N 0.00 0.03 -0.79 4.31 3.32 -1.28 0.29 116.42 122.30 1xjg h ASP 43 Ca 0.43 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.60 1xjg h ASP 43 Cb 0.67 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.15 1xjg h ASP 43 CO -0.89 0.03 0.40 0.58 -1.72 0.00 0.00 179.24 177.65 1xjg h VAL 44 N 0.07 0.80 -0.03 -1.35 2.07 -1.31 0.22 116.25 116.72 1xjg h VAL 44 Ca 0.04 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1xjg h VAL 44 Cb 0.02 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1xjg h VAL 44 CO -0.04 0.12 0.02 0.00 0.02 0.00 0.00 177.57 177.68 1xjg h ALA 45 N 1.49 0.03 0.26 1.67 0.00 -0.38 -0.95 119.26 121.38 1xjg h ALA 45 Ca 0.41 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1xjg h ALA 45 Cb 0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1xjg h ALA 45 CO -0.31 -0.45 -0.38 -0.09 0.00 0.00 0.00 179.25 178.02 1xjg h ARG 46 N 0.00 -0.67 -0.07 0.00 9.65 -0.06 0.13 114.38 123.36 1xjg h ARG 46 Ca 0.01 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1xjg h ARG 46 Cb 0.03 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1xjg h ARG 46 CO -0.00 -0.45 -0.17 -0.09 2.80 0.00 0.00 179.97 182.06 1xjg h ARG 47 N -0.70 -0.16 -0.33 0.20 2.43 -0.43 -1.76 114.38 113.63 1xjg h ARG 47 Ca -0.00 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1xjg h ARG 47 Cb 0.67 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.18 1xjg h ARG 47 CO -0.14 -0.11 -0.15 0.28 -1.51 0.00 0.00 179.97 178.35 1xjg h VAL 48 N -0.17 0.53 0.00 0.20 2.07 -1.10 -2.26 116.25 115.52 1xjg h VAL 48 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1xjg h VAL 48 Cb 0.21 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1xjg h VAL 48 CO -0.15 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.44 1xjg n ALA 49 N -2.73 -0.25 -0.18 1.67 0.00 0.45 -1.60 120.51 117.88 1xjg n ALA 49 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 1xjg n ALA 49 Cb 0.24 0.20 0.07 0.00 0.00 0.00 0.00 19.45 19.97 1xjg n ALA 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xjg n ARG 50 N -2.22 -0.04 0.19 0.00 0.63 -0.67 -0.41 116.66 114.13 1xjg n ARG 50 Ca 0.00 0.76 0.08 0.00 -0.92 0.00 0.00 57.85 57.77 1xjg n ARG 50 Cb 0.00 -1.14 0.26 0.00 0.45 0.00 0.00 32.46 32.03 1xjg n ARG 50 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1xjg h VAL 51 N 0.00 0.56 0.06 5.15 2.07 -1.00 -2.52 116.25 120.57 1xjg h VAL 51 Ca 0.24 -1.48 -0.38 0.00 0.82 0.00 0.00 66.70 65.90 1xjg h VAL 51 Cb 0.38 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1xjg h VAL 51 CO -0.50 0.28 -2.24 0.52 0.02 0.00 0.00 177.57 175.64 1xjg n VAL 52 N -3.27 1.62 -0.34 2.57 0.31 0.45 -3.24 118.33 116.43 1xjg n VAL 52 Ca 0.01 -0.63 0.26 0.00 -0.01 0.00 0.00 64.34 63.98 1xjg n VAL 52 Cb 0.55 -1.52 0.56 0.00 -0.91 0.00 0.00 33.84 32.53 1xjg n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xjg h ALA 53 N 0.10 2.42 -0.85 3.52 0.00 -1.15 -2.57 119.26 120.73 1xjg h ALA 53 Ca -0.50 0.06 0.20 0.00 0.00 0.00 0.00 54.91 54.67 1xjg h ALA 53 Cb 1.98 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.77 1xjg h ALA 53 CO -0.00 -0.85 0.58 1.15 0.00 0.00 0.00 179.25 180.12 1xjg h THR 54 N 0.30 0.67 0.00 0.00 2.02 -1.42 -1.13 112.91 113.34 1xjg h THR 54 Ca 0.62 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.71 1xjg h THR 54 Cb 1.76 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1xjg h THR 54 CO -0.28 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.67 1xjg n ALA 55 N -2.57 1.01 0.29 6.16 0.00 -0.97 -2.52 120.51 121.92 1xjg n ALA 55 Ca 0.18 0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.82 1xjg n ALA 55 Cb 0.73 -1.05 0.83 0.00 0.00 0.00 0.00 19.45 19.96 1xjg n ALA 55 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xjg h GLU 56 N 0.00 0.00 -0.28 0.00 4.39 -1.43 -2.72 114.58 114.54 1xjg h GLU 56 Ca 0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 1xjg h GLU 56 Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 1xjg h GLU 56 CO 0.00 0.04 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.58 1xjg h LEU 57 N 0.00 -0.78 0.00 1.33 3.38 -1.74 -0.78 115.31 116.72 1xjg h LEU 57 Ca -0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xjg h LEU 57 Cb 0.35 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1xjg h LEU 57 CO 0.00 -0.27 0.00 0.18 0.09 0.00 0.00 178.44 178.44 1xjg n LEU 58 N -5.38 0.00 -4.58 1.67 4.77 -1.02 -4.65 117.00 107.80 1xjg n LEU 58 Ca -0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 1xjg n LEU 58 Cb 0.29 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1xjg n LEU 58 CO 0.13 0.00 1.06 0.21 -1.33 0.00 0.00 177.39 177.47 1xjg s ASN 59 N -1.97 6.49 0.16 -1.43 2.47 -0.30 -4.91 114.94 115.45 1xjg s ASN 59 Ca 0.00 0.19 0.10 0.00 0.42 0.00 0.00 52.86 53.58 1xjg s ASN 59 Cb 0.00 -2.55 0.56 0.00 -1.45 0.00 0.00 41.25 37.81 1xjg s ASN 59 CO 0.00 -1.42 1.31 -0.81 -3.72 0.00 0.00 177.10 172.46 1xjg n PRO 60 N 8.28 0.07 -0.16 0.43 -0.04 -1.26 -2.84 135.00 139.47 1xjg n PRO 60 Ca 0.09 0.56 0.09 0.00 -0.04 0.00 0.00 63.50 64.21 1xjg n PRO 60 Cb 0.49 -1.73 0.27 0.00 -0.04 0.00 0.00 33.50 32.49 1xjg n PRO 60 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xjg n SER 61 N -1.86 2.27 -0.01 3.54 7.64 -1.26 -4.65 113.62 119.30 1xjg n SER 61 Ca -0.01 -1.88 0.10 0.00 1.01 0.00 0.00 58.87 58.09 1xjg n SER 61 Cb 0.03 -0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 62.87 1xjg n SER 61 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xjg n TYR 62 N 0.72 0.00 -4.91 1.43 0.53 -1.13 -5.10 117.16 108.70 1xjg n TYR 62 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 1xjg n TYR 62 Cb 0.40 -0.30 0.00 0.00 -1.03 0.00 0.00 39.34 38.41 1xjg n TYR 62 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 1xjg n LYS 63 N -1.94 0.00 -2.62 -0.72 4.76 -1.26 -4.22 118.16 112.15 1xjg n LYS 63 Ca -0.01 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.36 1xjg n LYS 63 Cb 0.45 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.62 1xjg n LYS 63 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xjg n LYS 64 N -0.23 1.55 0.00 1.97 5.02 -1.26 -4.44 118.16 120.77 1xjg n LYS 64 Ca 0.00 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.43 1xjg n LYS 64 Cb 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 1xjg n LYS 64 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xjg n ASN 65 N -1.23 0.00 0.08 4.39 3.02 -1.26 -4.48 115.26 115.78 1xjg n ASN 65 Ca -0.04 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.36 1xjg n ASN 65 Cb 0.15 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.24 1xjg n ASN 65 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1xjg h GLU 66 N 0.00 0.39 -0.92 3.52 4.81 -1.85 -3.39 114.58 117.14 1xjg h GLU 66 Ca 0.00 -0.48 0.18 0.00 -0.13 0.00 0.00 59.36 58.92 1xjg h GLU 66 Cb 0.00 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 1xjg h GLU 66 CO 0.00 1.16 0.59 0.87 -0.73 0.00 0.00 179.01 180.90 1xjg h LYS 67 N 0.19 0.57 0.00 1.92 1.57 -1.78 -3.33 116.57 115.72 1xjg h LYS 67 Ca -0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1xjg h LYS 67 Cb 1.71 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.89 1xjg h LYS 67 CO 0.18 0.38 0.00 -0.11 -0.57 0.00 0.00 179.45 179.33 1xjg n LEU 68 N -4.58 1.06 -4.54 2.94 7.94 -1.26 -2.74 117.00 115.82 1xjg n LEU 68 Ca 0.19 0.16 -0.37 0.00 -1.11 0.00 0.00 56.01 54.89 1xjg n LEU 68 Cb 0.58 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.48 1xjg n LEU 68 CO 0.28 0.00 2.06 -0.90 -1.11 0.00 0.00 177.39 177.72 1xjg n ASP 69 N -0.34 2.03 0.00 1.96 5.75 -1.25 -0.91 116.55 123.79 1xjg n ASP 69 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.37 1xjg n ASP 69 Cb 0.00 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 38.60 1xjg n ASP 69 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1xjg n ARG 70 N 8.93 0.00 0.17 0.11 3.00 -1.26 -4.80 116.66 122.81 1xjg n ARG 70 Ca 0.41 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 58.28 1xjg n ARG 70 Cb 0.47 0.00 0.32 0.00 0.00 0.00 0.00 32.46 33.25 1xjg n ARG 70 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1xjg h ILE 71 N 0.00 1.29 0.00 5.15 2.04 -0.83 -2.46 117.51 122.71 1xjg h ILE 71 Ca 0.00 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1xjg h ILE 71 Cb 0.00 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1xjg h ILE 71 CO 0.00 0.40 0.00 0.29 0.00 0.00 0.00 178.15 178.84 1xjg n LYS 72 N -4.05 0.41 -0.09 2.37 5.02 -0.66 -1.19 118.16 119.97 1xjg n LYS 72 Ca -0.02 0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 1xjg n LYS 72 Cb 0.44 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 1xjg n LYS 72 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xjg n GLU 73 N -1.27 0.51 -0.33 1.97 1.02 -1.02 -3.95 120.64 117.58 1xjg n GLU 73 Ca 0.13 0.49 0.01 0.00 -0.02 0.00 0.00 57.16 57.78 1xjg n GLU 73 Cb 0.21 -1.67 0.15 0.00 -0.02 0.00 0.00 31.44 30.11 1xjg n GLU 73 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1xjg h TRP 74 N -1.00 1.07 -0.73 -0.32 -0.00 -1.46 -1.52 115.95 111.99 1xjg h TRP 74 Ca -0.19 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.74 1xjg h TRP 74 Cb 0.95 -0.35 -0.04 0.00 -0.00 0.00 0.00 29.16 29.73 1xjg h TRP 74 CO -0.11 0.55 0.48 1.49 -0.00 0.00 0.00 178.44 180.86 1xjg h GLU 75 N 1.05 0.94 -0.24 0.49 4.81 -1.37 -0.85 114.58 119.42 1xjg h GLU 75 Ca 0.39 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1xjg h GLU 75 Cb 0.15 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1xjg h GLU 75 CO -0.17 0.62 -0.39 0.22 -0.73 0.00 0.00 179.01 178.57 1xjg h ASP 76 N 0.97 0.58 0.17 1.04 3.58 -1.43 0.20 116.42 121.54 1xjg h ASP 76 Ca 0.27 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1xjg h ASP 76 Cb -0.08 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.81 1xjg h ASP 76 CO -0.06 0.91 -0.08 0.40 -2.88 0.00 0.00 179.24 177.52 1xjg h ILE 77 N 0.46 0.16 -0.70 2.25 2.04 -0.96 0.27 117.51 121.02 1xjg h ILE 77 Ca 0.04 -0.92 0.12 0.00 1.00 0.00 0.00 64.86 65.11 1xjg h ILE 77 Cb 0.88 0.29 -0.13 0.00 -0.74 0.00 0.00 36.82 37.12 1xjg h ILE 77 CO 0.08 0.05 -0.32 -0.26 0.00 0.00 0.00 178.15 177.70 1xjg h PHE 78 N -1.04 -0.85 -0.00 1.37 -1.00 -1.28 0.37 116.94 114.50 1xjg h PHE 78 Ca -0.02 0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.85 1xjg h PHE 78 Cb 0.26 0.48 -0.03 0.00 3.61 0.00 0.00 35.95 40.27 1xjg h PHE 78 CO 0.02 -0.38 -0.29 0.35 -1.61 0.00 0.00 178.31 176.40 1xjg h PHE 79 N -0.10 -0.86 -0.80 -0.55 3.57 -0.93 -1.11 116.94 116.16 1xjg h PHE 79 Ca 0.28 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.99 1xjg h PHE 79 Cb 0.56 0.37 -0.12 0.00 2.79 0.00 0.00 35.95 39.56 1xjg h PHE 79 CO -0.68 -0.31 0.25 0.00 -2.23 0.00 0.00 178.31 175.35 1xjg h ARG 80 N -0.36 0.31 -0.52 1.11 3.08 0.29 0.12 114.38 118.41 1xjg h ARG 80 Ca 0.01 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1xjg h ARG 80 Cb 0.39 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1xjg h ARG 80 CO -0.19 0.21 -0.09 0.28 -1.07 0.00 0.00 179.97 179.11 1xjg h VAL 81 N 0.32 1.26 0.00 2.04 2.07 -0.02 -1.78 116.25 120.14 1xjg h VAL 81 Ca 0.47 -1.21 -0.19 0.00 0.82 0.00 0.00 66.70 66.58 1xjg h VAL 81 Cb 0.83 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1xjg h VAL 81 CO -0.52 0.43 -1.00 -0.07 0.02 0.00 0.00 177.57 176.43 1xjg h LEU 82 N 0.85 0.00 -0.73 2.57 3.38 -0.80 -1.93 115.31 118.65 1xjg h LEU 82 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1xjg h LEU 82 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1xjg h LEU 82 CO 0.04 0.86 0.21 0.50 0.09 0.00 0.00 178.44 180.14 1xjg h LYS 83 N 0.00 1.14 0.00 1.13 3.64 -0.64 -2.52 116.57 119.32 1xjg h LYS 83 Ca -0.05 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1xjg h LYS 83 Cb 1.70 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1xjg h LYS 83 CO 0.10 0.98 -0.14 0.00 -2.27 0.00 0.00 179.45 178.13 1xjg h ALA 84 N 1.11 1.10 -3.83 5.00 0.00 -1.41 -3.45 119.26 117.79 1xjg h ALA 84 Ca 0.23 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 1xjg h ALA 84 Cb 0.33 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 18.18 1xjg h ALA 84 CO -0.00 0.18 -0.41 0.54 0.00 0.00 0.00 179.25 179.55 1xjg n ARG 85 N -3.41 -4.65 0.04 0.00 1.74 -0.95 -4.68 116.66 104.75 1xjg n ARG 85 Ca -0.01 0.52 -0.02 0.00 -0.77 0.00 0.00 57.85 57.58 1xjg n ARG 85 Cb 0.33 -4.61 -0.08 0.00 -1.02 0.00 0.00 32.46 27.08 1xjg n ARG 85 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xjg h LEU 86 N -1.55 0.00 -7.50 0.55 3.38 -1.62 -3.44 115.31 105.13 1xjg h LEU 86 Ca -0.35 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.41 1xjg h LEU 86 Cb 1.23 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.69 1xjg h LEU 86 CO 0.35 0.68 -0.56 0.12 0.09 0.00 0.00 178.44 179.11 1xjg s PHE 87 N -2.85 -0.18 -0.03 1.13 5.36 -1.21 -2.13 117.98 118.07 1xjg s PHE 87 Ca -0.02 0.47 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 1xjg s PHE 87 Cb 0.08 -0.00 0.03 0.00 -0.34 0.00 0.00 43.02 42.79 1xjg s PHE 87 CO 0.80 -0.13 0.01 0.42 -1.46 0.00 0.00 175.22 174.86 1xjg s ILE 88 N 0.63 0.16 0.71 3.12 1.01 -0.50 -4.24 121.20 122.09 1xjg s ILE 88 Ca -0.05 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 1xjg s ILE 88 Cb -0.06 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.16 1xjg s ILE 88 CO -0.03 0.15 1.07 -2.16 0.00 0.00 0.00 174.94 173.97 1xjg s PRO 89 N 1.16 2.75 0.33 2.79 0.04 -1.26 -0.54 135.00 140.26 1xjg s PRO 89 Ca -0.08 1.07 -0.27 0.00 0.04 0.00 0.00 61.00 61.76 1xjg s PRO 89 Cb -0.13 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 1xjg s PRO 89 CO -0.02 -1.25 0.99 0.27 0.04 0.00 0.00 177.00 177.03 1xjg n ASN 90 N -3.11 1.23 -0.25 6.66 2.04 0.12 -4.79 115.26 117.16 1xjg n ASN 90 Ca 0.08 1.14 0.03 0.00 -0.44 0.00 0.00 54.58 55.39 1xjg n ASN 90 Cb 0.53 -1.30 0.08 0.00 -2.53 0.00 0.00 39.78 36.56 1xjg n ASN 90 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1xjg n SER 91 N 1.06 -0.29 -0.15 0.53 7.64 -1.26 -1.18 113.62 119.96 1xjg n SER 91 Ca 0.09 1.16 -0.07 0.00 1.01 0.00 0.00 58.87 61.06 1xjg n SER 91 Cb 0.34 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1xjg n SER 91 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1xjg h PRO 92 N 0.00 -0.23 -1.39 1.43 0.11 -1.87 1.02 132.00 131.07 1xjg h PRO 92 Ca 0.30 0.02 0.45 0.00 0.11 0.00 0.00 66.00 66.88 1xjg h PRO 92 Cb 0.47 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 31.51 1xjg h PRO 92 CO -0.69 -0.15 0.91 1.15 -0.21 0.00 0.00 178.00 179.01 1xjg h THR 93 N -0.24 0.10 0.11 -1.15 2.02 -0.73 0.02 112.91 113.04 1xjg h THR 93 Ca 0.18 -0.02 -0.34 0.00 0.77 0.00 0.00 66.41 67.00 1xjg h THR 93 Cb 0.55 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1xjg h THR 93 CO -0.60 0.01 -1.83 -0.07 0.37 0.00 0.00 175.52 173.40 1xjg h LEU 94 N 0.06 0.37 0.09 2.58 3.38 0.91 -3.14 115.31 119.57 1xjg h LEU 94 Ca 0.83 -0.71 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xjg h LEU 94 Cb 2.72 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.35 1xjg h LEU 94 CO -0.38 1.62 -0.04 -0.26 0.09 0.00 0.00 178.44 179.47 1xjg h PHE 95 N 0.06 -0.12 -0.02 1.13 0.04 0.53 -3.38 116.94 115.19 1xjg h PHE 95 Ca -0.36 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.41 1xjg h PHE 95 Cb 2.04 0.04 0.00 0.00 2.20 0.00 0.00 35.95 40.23 1xjg h PHE 95 CO 0.06 -0.07 0.00 0.09 -0.60 0.00 0.00 178.31 177.79 1xjg n ASN 96 N -2.37 0.37 -4.73 2.17 3.02 -0.13 -4.86 115.26 108.72 1xjg n ASN 96 Ca -0.02 -1.29 -0.42 0.00 -0.03 0.00 0.00 54.58 52.83 1xjg n ASN 96 Cb 0.05 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 1xjg n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjg s ALA 97 N -1.98 3.57 -1.68 5.41 0.00 -1.19 -2.61 121.76 123.29 1xjg s ALA 97 Ca 0.38 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1xjg s ALA 97 Cb 0.18 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1xjg s ALA 97 CO 0.30 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1xjg n GLY 98 N 2.61 1.03 3.74 0.00 0.00 -1.26 -4.90 105.19 106.41 1xjg n GLY 98 Ca 0.08 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1xjg n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjg s LEU 99 N -4.19 4.45 0.00 0.99 1.43 -1.07 -2.67 118.68 117.62 1xjg s LEU 99 Ca 0.00 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1xjg s LEU 99 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1xjg s LEU 99 CO 0.00 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 1xjg n GLY 100 N 2.07 2.65 3.79 -3.19 0.00 -1.26 -2.68 105.19 106.58 1xjg n GLY 100 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1xjg n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjg s VAL 101 N -2.70 4.21 0.17 1.61 1.01 -1.09 -4.73 120.40 118.89 1xjg s VAL 101 Ca 0.00 1.68 -0.34 0.00 0.00 0.00 0.00 61.98 63.33 1xjg s VAL 101 Cb 0.00 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 32.38 1xjg s VAL 101 CO 0.00 -0.00 1.52 1.17 0.00 0.00 0.00 175.10 177.79 1xjg n LYS 102 N 0.16 2.03 0.00 2.72 3.00 -1.26 -4.89 118.16 119.92 1xjg n LYS 102 Ca 0.04 0.73 0.02 0.00 -0.00 0.00 0.00 58.31 59.10 1xjg n LYS 102 Cb 0.51 -2.46 0.10 0.00 0.00 0.00 0.00 35.03 33.18 1xjg n LYS 102 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1xjg n HIS 103 N 2.99 0.00 0.72 5.64 8.25 -1.26 -2.01 115.22 129.55 1xjg n HIS 103 Ca 0.16 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.71 1xjg n HIS 103 Cb 0.28 -0.33 -0.11 0.00 1.12 0.00 0.00 29.99 30.95 1xjg n HIS 103 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1xjg n ASP 104 N -1.33 0.83 -0.04 0.41 5.68 -1.26 -4.45 116.55 116.38 1xjg n ASP 104 Ca 0.02 -0.77 -0.12 0.00 -0.50 0.00 0.00 54.79 53.42 1xjg n ASP 104 Cb 0.04 1.16 -0.10 0.00 -1.14 0.00 0.00 41.12 41.07 1xjg n ASP 104 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1xjg h LEU 105 N 0.00 -0.02 -0.98 -2.12 3.38 -1.79 -3.30 115.31 110.48 1xjg h LEU 105 Ca 0.00 -0.73 0.27 0.00 0.09 0.00 0.00 57.88 57.51 1xjg h LEU 105 Cb 0.52 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.15 1xjg h LEU 105 CO 0.00 0.78 0.53 -0.07 0.09 0.00 0.00 178.44 179.76 1xjg h LEU 106 N -0.89 0.51 -1.12 1.67 3.38 -1.78 -3.00 115.31 114.09 1xjg h LEU 106 Ca -0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xjg h LEU 106 Cb 0.75 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1xjg h LEU 106 CO 0.00 -0.01 -0.04 0.79 0.09 0.00 0.00 178.44 179.27 1xjg n TRP 107 N -4.99 0.00 -2.01 1.13 8.01 -1.26 -4.01 117.44 114.31 1xjg n TRP 107 Ca 0.27 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 56.07 1xjg n TRP 107 Cb 0.81 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.11 1xjg n TRP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1xjg s LYS 108 N -0.74 3.87 0.20 -0.99 -2.85 -1.14 -4.85 119.74 113.26 1xjg s LYS 108 Ca 0.08 2.18 -0.32 0.00 -1.00 0.00 0.00 55.97 56.91 1xjg s LYS 108 Cb 0.06 -2.70 -0.14 0.00 -2.06 0.00 0.00 37.83 32.99 1xjg s LYS 108 CO 0.11 -0.58 1.40 -2.30 0.10 0.00 0.00 175.35 174.08 1xjg n PRO 109 N -0.01 1.86 -0.38 1.78 -0.02 -1.26 -4.81 135.00 132.16 1xjg n PRO 109 Ca 0.04 0.66 0.30 0.00 -2.02 0.00 0.00 63.50 62.49 1xjg n PRO 109 Cb 0.44 -2.32 0.56 0.00 -0.02 0.00 0.00 33.50 32.16 1xjg n PRO 109 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xjg h ILE 110 N 3.13 0.25 -0.27 4.25 2.10 -1.98 -0.01 117.51 124.97 1xjg h ILE 110 Ca -0.45 -0.07 -0.05 0.00 1.08 0.00 0.00 64.86 65.37 1xjg h ILE 110 Cb 1.29 0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 37.00 1xjg h ILE 110 CO 0.78 0.04 0.06 -0.90 -1.08 0.00 0.00 178.15 177.04 1xjg n ASP 111 N -4.83 3.03 -0.26 2.19 5.68 -1.26 -1.35 116.55 119.74 1xjg n ASP 111 Ca 0.33 -2.44 0.03 0.00 -0.50 0.00 0.00 54.79 52.21 1xjg n ASP 111 Cb 1.17 -0.59 0.03 0.00 -1.14 0.00 0.00 41.12 40.59 1xjg n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xjg n GLN 112 N 0.16 -0.07 -2.65 0.11 6.02 -0.02 -5.03 117.38 115.90 1xjg n GLN 112 Ca 0.14 -0.90 -0.41 0.00 -0.01 0.00 0.00 57.00 55.83 1xjg n GLN 112 Cb 0.71 -1.13 -0.05 0.00 1.02 0.00 0.00 30.24 30.80 1xjg n GLN 112 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1xjg s MET 113 N -0.55 4.70 0.27 -1.09 -1.94 -0.46 -5.04 119.30 115.19 1xjg s MET 113 Ca 0.08 1.57 0.12 0.00 -1.71 0.00 0.00 55.69 55.74 1xjg s MET 113 Cb 0.06 -3.31 -0.05 0.00 2.01 0.00 0.00 34.83 33.53 1xjg s MET 113 CO 0.08 0.24 -0.20 0.95 -0.01 0.00 0.00 175.02 176.09 1xjg s THR 114 N -0.41 2.42 0.40 2.05 -4.23 -1.26 -5.03 115.64 109.57 1xjg s THR 114 Ca 0.46 -2.39 0.12 0.00 -1.18 0.00 0.00 61.69 58.70 1xjg s THR 114 Cb -0.26 -2.28 0.34 0.00 1.34 0.00 0.00 72.50 71.63 1xjg s THR 114 CO 0.33 -0.41 1.91 0.25 -0.54 0.00 0.00 174.62 176.16 1xjg h LEU 115 N 2.31 0.51 -0.37 4.79 7.12 -1.98 -1.60 115.31 126.09 1xjg h LEU 115 Ca -0.40 0.02 -0.11 0.00 0.13 0.00 0.00 57.88 57.53 1xjg h LEU 115 Cb 1.26 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.29 1xjg h LEU 115 CO 0.60 0.27 -0.52 -0.33 -0.13 0.00 0.00 178.44 178.33 1xjg h GLU 116 N 0.55 0.00 -0.49 1.25 3.07 -2.00 -2.78 114.58 114.18 1xjg h GLU 116 Ca 0.38 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.32 1xjg h GLU 116 Cb 0.72 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.56 1xjg h GLU 116 CO -0.14 0.52 0.13 -0.44 -1.40 0.00 0.00 179.01 177.68 1xjg h ASP 117 N 0.00 0.08 0.91 1.42 3.32 -1.70 -1.95 116.42 118.50 1xjg h ASP 117 Ca -0.01 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1xjg h ASP 117 Cb 1.25 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 1xjg h ASP 117 CO 0.07 0.07 -0.39 1.88 -1.72 0.00 0.00 179.24 179.15 1xjg h TYR 118 N 0.28 0.00 0.00 4.55 -1.99 -1.46 -1.60 116.97 116.76 1xjg h TYR 118 Ca 0.24 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.83 1xjg h TYR 118 Cb 0.30 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 1xjg h TYR 118 CO -0.20 0.39 -0.65 0.93 -0.00 0.00 0.00 178.16 178.63 1xjg h GLU 119 N 0.00 0.00 -0.09 4.88 5.08 -1.36 -2.44 114.58 120.65 1xjg h GLU 119 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1xjg h GLU 119 Cb 0.94 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1xjg h GLU 119 CO 0.05 0.65 -0.84 1.49 -1.00 0.00 0.00 179.01 179.36 1xjg h GLU 120 N 0.00 0.72 -0.25 2.33 4.81 -0.54 -1.66 114.58 119.99 1xjg h GLU 120 Ca -0.01 -0.66 0.04 0.00 -0.13 0.00 0.00 59.36 58.60 1xjg h GLU 120 Cb 1.21 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.71 1xjg h GLU 120 CO 0.08 1.26 0.00 0.82 -0.73 0.00 0.00 179.01 180.45 1xjg h ILE 121 N 0.42 0.82 -0.27 2.32 2.04 -1.38 0.10 117.51 121.57 1xjg h ILE 121 Ca -0.08 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1xjg h ILE 121 Cb 1.49 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 1xjg h ILE 121 CO 0.17 0.01 -0.15 0.22 0.00 0.00 0.00 178.15 178.41 1xjg h TYR 122 N 0.08 -0.36 -0.02 1.37 3.20 -1.17 -2.95 116.97 117.13 1xjg h TYR 122 Ca 0.12 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 1xjg h TYR 122 Cb 0.15 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1xjg h TYR 122 CO -0.20 -0.22 -0.73 0.00 -1.64 0.00 0.00 178.16 175.38 1xjg h ARG 123 N -0.11 0.12 0.00 1.82 3.08 -0.83 -3.27 114.38 115.19 1xjg h ARG 123 Ca 0.14 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1xjg h ARG 123 Cb 0.33 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1xjg h ARG 123 CO -0.34 0.79 0.00 -1.13 -1.07 0.00 0.00 179.97 178.22 1xjg n SER 124 N -3.73 0.00 -4.61 7.04 3.41 0.31 -4.82 113.62 111.21 1xjg n SER 124 Ca -0.02 -1.61 -0.43 0.00 -0.26 0.00 0.00 58.87 56.55 1xjg n SER 124 Cb 0.70 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 1xjg n SER 124 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xjg s ARG 125 N -2.00 3.74 0.76 4.33 0.52 -1.23 -3.23 118.95 121.84 1xjg s ARG 125 Ca 0.16 1.03 -0.12 0.00 -0.52 0.00 0.00 55.73 56.29 1xjg s ARG 125 Cb 0.07 -3.95 0.17 0.00 0.52 0.00 0.00 34.95 31.77 1xjg s ARG 125 CO 0.13 -1.35 1.03 0.27 0.02 0.00 0.00 175.30 175.40 1xjg n ASN 126 N 8.19 0.18 0.00 0.23 2.04 -1.09 -4.92 115.26 119.88 1xjg n ASN 126 Ca 0.15 -1.43 0.04 0.00 -0.44 0.00 0.00 54.58 52.90 1xjg n ASN 126 Cb 0.47 -0.78 0.23 0.00 -2.53 0.00 0.00 39.78 37.17 1xjg n ASN 126 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1xjg n HIS 127 N -3.37 0.00 -1.14 -2.53 1.44 -1.26 -2.13 115.22 106.22 1xjg n HIS 127 Ca 0.13 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.94 1xjg n HIS 127 Cb 0.46 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.70 1xjg n HIS 127 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xjg n LEU 128 N -0.67 2.22 -3.05 2.39 4.77 -1.26 -4.78 117.00 116.62 1xjg n LEU 128 Ca 0.06 -2.99 -0.37 0.00 -0.03 0.00 0.00 56.01 52.68 1xjg n LEU 128 Cb 0.03 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1xjg n LEU 128 CO 0.04 0.70 1.66 1.57 -1.33 0.00 0.00 177.39 180.04 1xjg n HIS 129 N -1.34 2.51 -3.25 -1.77 -0.00 -0.91 -4.78 115.22 105.68 1xjg n HIS 129 Ca 0.15 -2.35 -0.42 0.00 0.46 0.00 0.00 57.72 55.57 1xjg n HIS 129 Cb 0.65 -1.34 -0.08 0.00 -0.12 0.00 0.00 29.99 29.10 1xjg n HIS 129 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1xjg s MET 130 N -3.07 3.53 0.00 1.57 0.00 -1.24 -1.88 119.30 118.20 1xjg s MET 130 Ca 0.51 -0.27 0.13 0.00 0.00 0.00 0.00 55.69 56.07 1xjg s MET 130 Cb 0.33 -3.84 0.21 0.00 0.00 0.00 0.00 34.83 31.53 1xjg s MET 130 CO -0.25 -0.69 1.08 1.28 0.00 0.00 0.00 175.02 176.43 1xjg n LEU 131 N 5.75 2.52 -4.76 4.11 4.77 -1.26 -4.53 117.00 123.59 1xjg n LEU 131 Ca -0.05 -1.40 -0.22 0.00 -0.03 0.00 0.00 56.01 54.31 1xjg n LEU 131 Cb 0.49 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1xjg n LEU 131 CO 0.46 0.55 -0.18 -0.44 -1.33 0.00 0.00 177.39 176.44 1xjg s SER 132 N -1.07 4.91 0.00 -1.43 0.01 -1.26 -2.32 113.70 112.54 1xjg s SER 132 Ca 0.21 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1xjg s SER 132 Cb 0.13 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1xjg s SER 132 CO 0.18 -0.24 0.00 0.00 0.41 0.00 0.00 173.24 173.59 1xjg n ALA 133 N -1.17 1.85 -2.31 1.44 0.00 -1.21 -4.62 120.51 114.49 1xjg n ALA 133 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 1xjg n ALA 133 Cb 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.89 1xjg n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xjg s PHE 135 N -0.62 -0.19 -0.01 0.00 0.40 -0.72 -1.75 117.98 115.09 1xjg s PHE 135 Ca 0.10 0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.60 1xjg s PHE 135 Cb -0.10 0.14 -0.00 0.00 0.51 0.00 0.00 43.02 43.57 1xjg s PHE 135 CO -0.01 -0.50 -0.04 0.08 0.70 0.00 0.00 175.22 175.45 1xjg s VAL 136 N -2.19 0.31 0.05 -0.44 1.01 -1.05 -2.31 120.40 115.79 1xjg s VAL 136 Ca -0.07 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1xjg s VAL 136 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 1xjg s VAL 136 CO -0.01 0.10 -0.14 0.68 0.00 0.00 0.00 175.10 175.73 1xjg s VAL 137 N 0.00 1.07 0.75 2.92 -7.23 -0.80 -1.72 120.40 115.39 1xjg s VAL 137 Ca 0.00 -1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 1xjg s VAL 137 Cb -0.03 -0.99 0.04 0.00 0.56 0.00 0.00 36.38 35.96 1xjg s VAL 137 CO -0.00 -0.06 1.09 -2.16 -0.31 0.00 0.00 175.10 173.66 1xjg s PRO 138 N -1.28 2.52 -0.42 4.82 0.04 -1.26 -4.32 135.00 135.10 1xjg s PRO 138 Ca 0.00 0.59 0.05 0.00 0.04 0.00 0.00 61.00 61.69 1xjg s PRO 138 Cb -0.08 -1.97 0.20 0.00 0.04 0.00 0.00 34.50 32.68 1xjg s PRO 138 CO 0.01 -1.30 0.41 0.28 0.04 0.00 0.00 177.00 176.44 1xjg n VAL 139 N -3.21 -0.89 -0.55 -0.36 0.31 -1.26 -4.77 118.33 107.61 1xjg n VAL 139 Ca 0.07 -3.70 -0.29 0.00 -0.01 0.00 0.00 64.34 60.41 1xjg n VAL 139 Cb 0.56 -1.78 0.21 0.00 -0.91 0.00 0.00 33.84 31.93 1xjg n VAL 139 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xjg n GLY 140 N 2.32 -2.58 2.30 2.92 0.00 -1.26 -4.49 105.19 104.41 1xjg n GLY 140 Ca 0.27 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 1xjg n GLY 140 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xjg n ASP 141 N -2.96 7.44 0.00 1.61 2.03 -1.26 -4.19 116.55 119.22 1xjg n ASP 141 Ca 0.03 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.56 1xjg n ASP 141 Cb 0.57 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1xjg n ASP 141 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xjg n SER 142 N 2.49 0.00 0.00 1.67 3.41 -1.26 -4.93 113.62 114.99 1xjg n SER 142 Ca 0.62 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1xjg n SER 142 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1xjg n SER 142 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1xjg n ILE 143 N 0.00 0.00 -0.13 -1.33 2.08 -1.26 -4.47 119.36 114.24 1xjg n ILE 143 Ca 0.00 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.25 1xjg n ILE 143 Cb 0.05 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 38.94 1xjg n ILE 143 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1xjg h GLU 144 N 0.00 -0.19 0.01 0.38 4.22 -1.97 0.17 114.58 117.20 1xjg h GLU 144 Ca 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1xjg h GLU 144 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xjg h GLU 144 CO 0.00 -0.13 -0.01 0.93 -2.18 0.00 0.00 179.01 177.63 1xjg h GLU 145 N -0.20 -0.02 -0.48 1.92 5.08 -1.88 -0.64 114.58 118.37 1xjg h GLU 145 Ca 0.20 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 1xjg h GLU 145 Cb 0.51 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 1xjg h GLU 145 CO -0.55 0.36 -0.38 0.82 -1.00 0.00 0.00 179.01 178.26 1xjg h ILE 146 N -0.39 0.16 0.00 3.13 2.04 -1.67 0.14 117.51 120.92 1xjg h ILE 146 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1xjg h ILE 146 Cb 0.38 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1xjg h ILE 146 CO 0.00 0.00 -0.27 -0.26 0.00 0.00 0.00 178.15 177.62 1xjg h PHE 147 N -0.25 0.00 -0.56 1.37 0.04 -0.73 -1.60 116.94 115.21 1xjg h PHE 147 Ca 0.18 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.86 1xjg h PHE 147 Cb 0.56 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1xjg h PHE 147 CO -0.62 0.27 -0.00 1.49 -0.60 0.00 0.00 178.31 178.85 1xjg h GLU 148 N 0.00 0.97 -0.39 1.51 4.57 -0.40 -2.45 114.58 118.40 1xjg h GLU 148 Ca -0.00 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 1xjg h GLU 148 Cb 0.97 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 1xjg h GLU 148 CO 0.04 0.96 0.17 0.00 -1.18 0.00 0.00 179.01 178.99 1xjg h ALA 149 N 1.09 0.50 -0.35 2.92 0.00 0.00 -0.72 119.26 122.71 1xjg h ALA 149 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1xjg h ALA 149 Cb 0.52 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1xjg h ALA 149 CO 0.03 0.09 0.01 0.28 0.00 0.00 0.00 179.25 179.66 1xjg h VAL 150 N 0.48 0.76 -0.92 0.00 2.07 -1.32 0.37 116.25 117.68 1xjg h VAL 150 Ca 0.13 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.75 1xjg h VAL 150 Cb 0.16 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 1xjg h VAL 150 CO -0.01 0.02 0.59 0.50 0.02 0.00 0.00 177.57 178.69 1xjg h LYS 151 N 0.12 0.76 -0.21 1.57 3.64 -1.24 -1.80 116.57 119.41 1xjg h LYS 151 Ca 0.17 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 1xjg h LYS 151 Cb 0.23 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1xjg h LYS 151 CO -0.27 0.50 -0.32 0.93 -2.27 0.00 0.00 179.45 178.02 1xjg h GLU 152 N 0.78 0.58 0.25 1.90 5.08 0.55 -1.84 114.58 121.88 1xjg h GLU 152 Ca 0.46 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1xjg h GLU 152 Cb 0.65 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1xjg h GLU 152 CO -0.23 0.96 -0.40 1.88 -1.00 0.00 0.00 179.01 180.22 1xjg h TYR 153 N 0.26 -1.11 -0.74 4.33 -1.99 -0.05 -0.61 116.97 117.07 1xjg h TYR 153 Ca 0.02 0.02 0.14 0.00 2.00 0.00 0.00 58.73 60.91 1xjg h TYR 153 Cb 0.91 0.45 -0.14 0.00 2.00 0.00 0.00 36.73 39.95 1xjg h TYR 153 CO 0.09 -0.53 -0.23 0.00 -0.00 0.00 0.00 178.16 177.49 1xjg h ALA 154 N -0.28 0.37 -0.23 3.88 0.00 -1.27 0.20 119.26 121.93 1xjg h ALA 154 Ca -0.00 0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 1xjg h ALA 154 Cb 0.69 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xjg h ALA 154 CO -0.15 -0.48 -0.64 -0.07 0.00 0.00 0.00 179.25 177.91 1xjg h LEU 155 N -0.04 0.96 -0.43 0.00 3.38 -0.91 0.25 115.31 118.53 1xjg h LEU 155 Ca 0.34 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1xjg h LEU 155 Cb 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1xjg h LEU 155 CO -0.77 1.36 0.21 0.40 0.09 0.00 0.00 178.44 179.73 1xjg h ILE 156 N 0.60 1.17 -0.30 1.22 2.04 -0.58 -2.57 117.51 119.09 1xjg h ILE 156 Ca -0.01 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1xjg h ILE 156 Cb 1.26 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1xjg h ILE 156 CO 0.14 0.18 0.18 0.74 0.00 0.00 0.00 178.15 179.39 1xjg h THR 157 N 0.55 1.11 -0.99 -0.27 2.02 -0.36 -1.94 112.91 113.03 1xjg h THR 157 Ca 0.15 -0.25 0.20 0.00 0.77 0.00 0.00 66.41 67.28 1xjg h THR 157 Cb 0.10 0.73 -0.19 0.00 -1.74 0.00 0.00 68.15 67.05 1xjg h THR 157 CO -0.02 0.10 -0.24 1.17 0.37 0.00 0.00 175.52 176.90 1xjg n LYS 158 N -4.84 -0.09 0.00 6.66 4.81 0.86 -1.40 118.16 124.16 1xjg n LYS 158 Ca -0.02 1.54 0.13 0.00 -0.87 0.00 0.00 58.31 59.10 1xjg n LYS 158 Cb 0.05 -2.30 0.53 0.00 0.02 0.00 0.00 35.03 33.33 1xjg n LYS 158 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1xjg n VAL 159 N -5.61 0.01 0.00 3.15 0.24 -0.78 -4.89 118.33 110.45 1xjg n VAL 159 Ca 0.16 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1xjg n VAL 159 Cb 0.50 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1xjg n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xjg n GLY 160 N 1.50 1.86 3.83 7.63 0.00 -0.49 -4.74 105.19 114.77 1xjg n GLY 160 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1xjg n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xjg s GLY 161 N -2.00 1.47 0.07 -0.02 0.00 -0.91 -4.80 107.32 101.14 1xjg s GLY 161 Ca 0.00 -1.46 0.07 0.00 0.00 0.00 0.00 44.72 43.33 1xjg s GLY 161 CO 0.00 -1.48 -0.14 -0.32 0.00 0.00 0.00 173.10 171.16 1xjg s GLY 162 N -3.87 1.69 0.03 0.20 0.00 -0.33 -4.22 107.32 100.82 1xjg s GLY 162 Ca 0.34 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 43.84 1xjg s GLY 162 CO 0.25 -1.15 -0.03 0.54 0.00 0.00 0.00 173.10 172.71 1xjg s VAL 163 N -1.07 0.15 0.32 1.40 0.11 -1.26 -1.76 120.40 118.30 1xjg s VAL 163 Ca 0.18 -1.13 0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1xjg s VAL 163 Cb -0.11 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1xjg s VAL 163 CO 0.09 -0.61 0.33 -0.83 -3.33 0.00 0.00 175.10 170.74 1xjg s GLY 164 N -1.81 2.00 -0.06 6.54 0.00 -0.98 -2.19 107.32 110.83 1xjg s GLY 164 Ca -0.10 -1.88 -0.18 0.00 0.00 0.00 0.00 44.72 42.56 1xjg s GLY 164 CO -0.03 -1.32 0.41 -0.56 0.00 0.00 0.00 173.10 171.60 1xjg s SER 165 N -3.31 -0.35 -0.02 1.64 0.01 -0.59 -1.90 113.70 109.18 1xjg s SER 165 Ca 0.38 0.41 -0.23 0.00 1.31 0.00 0.00 55.95 57.81 1xjg s SER 165 Cb 0.02 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 1xjg s SER 165 CO 0.24 -0.40 0.71 0.21 0.41 0.00 0.00 173.24 174.41 1xjg s ASN 166 N -0.89 7.06 0.00 2.44 3.84 -1.26 -1.06 114.94 125.07 1xjg s ASN 166 Ca -0.09 1.27 0.21 0.00 0.21 0.00 0.00 52.86 54.45 1xjg s ASN 166 Cb -0.04 -2.42 0.58 0.00 -0.55 0.00 0.00 41.25 38.82 1xjg s ASN 166 CO 0.04 -0.04 1.48 0.49 -2.79 0.00 0.00 177.10 176.28 1xjg n PHE 167 N 3.32 0.87 0.24 0.43 3.01 0.16 -4.37 117.46 121.12 1xjg n PHE 167 Ca -0.02 -0.49 0.09 0.00 1.01 0.00 0.00 57.45 58.04 1xjg n PHE 167 Cb 0.51 -0.01 0.62 0.00 -0.01 0.00 0.00 39.48 40.59 1xjg n PHE 167 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1xjg h SER 168 N 3.91 0.00 -0.84 4.37 0.02 -1.92 -1.61 113.55 117.49 1xjg h SER 168 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1xjg h SER 168 Cb 0.95 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 1xjg h SER 168 CO 0.00 0.17 0.55 -0.33 -1.14 0.00 0.00 176.83 176.07 1xjg h GLU 169 N 0.00 0.85 -6.18 3.45 4.39 -1.84 -3.42 114.58 111.83 1xjg h GLU 169 Ca -0.00 -0.05 -0.62 0.00 0.34 0.00 0.00 59.36 59.03 1xjg h GLU 169 Cb 0.37 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1xjg h GLU 169 CO 0.02 0.56 1.22 1.28 -1.16 0.00 0.00 179.01 180.93 1xjg n LEU 170 N -4.50 3.22 -4.74 1.33 4.77 -0.61 -4.59 117.00 111.88 1xjg n LEU 170 Ca 0.13 0.76 -0.38 0.00 -0.03 0.00 0.00 56.01 56.50 1xjg n LEU 170 Cb 0.26 -1.38 0.05 0.00 -2.33 0.00 0.00 43.42 40.01 1xjg n LEU 170 CO 0.32 -0.26 0.94 0.00 -1.33 0.00 0.00 177.39 177.07 1xjg s ARG 171 N 4.82 2.92 0.61 3.23 1.70 -1.26 -4.60 118.95 126.37 1xjg s ARG 171 Ca 0.97 2.14 -0.18 0.00 -0.47 0.00 0.00 55.73 58.19 1xjg s ARG 171 Cb -0.66 -2.08 -0.04 0.00 -0.57 0.00 0.00 34.95 31.60 1xjg s ARG 171 CO 0.49 -1.34 1.02 -2.30 -1.08 0.00 0.00 175.30 172.09 1xjg n PRO 172 N -1.38 0.92 -1.30 3.89 -0.02 -1.26 -4.18 135.00 131.67 1xjg n PRO 172 Ca 0.13 0.36 -0.49 0.00 -2.02 0.00 0.00 63.50 61.48 1xjg n PRO 172 Cb 0.46 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1xjg n PRO 172 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1xjg n LYS 173 N -1.20 0.00 0.00 -0.52 4.81 -1.26 -1.96 118.16 118.03 1xjg n LYS 173 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1xjg n LYS 173 Cb 0.48 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.35 1xjg n LYS 173 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xjg n GLY 174 N 1.49 0.69 3.71 3.14 0.00 -0.74 -4.91 105.19 108.57 1xjg n GLY 174 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1xjg n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjg s SER 175 N -2.23 3.90 0.24 1.61 0.01 -0.83 -4.70 113.70 111.70 1xjg s SER 175 Ca 0.00 2.33 -0.30 0.00 1.31 0.00 0.00 55.95 59.29 1xjg s SER 175 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 1xjg s SER 175 CO 0.00 -2.46 1.25 0.12 0.41 0.00 0.00 173.24 172.56 1xjg s PHE 176 N -2.12 3.30 -0.02 2.43 5.36 -1.26 -2.28 117.98 123.39 1xjg s PHE 176 Ca 0.73 1.38 0.03 0.00 -0.96 0.00 0.00 56.93 58.11 1xjg s PHE 176 Cb -0.28 -3.54 -0.00 0.00 -0.34 0.00 0.00 43.02 38.86 1xjg s PHE 176 CO 0.48 -1.53 -0.10 0.08 -1.46 0.00 0.00 175.22 172.70 1xjg s VAL 177 N -0.41 0.80 -0.29 3.12 1.01 -1.26 -4.84 120.40 118.52 1xjg s VAL 177 Ca 0.52 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1xjg s VAL 177 Cb -0.36 -0.69 0.19 0.00 0.00 0.00 0.00 36.38 35.52 1xjg s VAL 177 CO 0.42 0.24 0.57 0.00 0.00 0.00 0.00 175.10 176.33 1xjg s ALA 178 N 0.02 -2.18 0.00 5.51 0.00 -1.26 -2.40 121.76 121.46 1xjg s ALA 178 Ca -0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1xjg s ALA 178 Cb -0.07 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1xjg s ALA 178 CO 0.00 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.61 1xjg n GLY 179 N 5.42 0.89 0.00 0.00 0.00 -1.26 -4.97 105.19 105.26 1xjg n GLY 179 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1xjg n GLY 179 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xjg n THR 180 N 0.00 0.00 -3.69 2.61 -1.04 -1.26 -5.06 114.28 105.84 1xjg n THR 180 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1xjg n THR 180 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1xjg n THR 180 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1xjg n HIS 181 N -0.93 -2.11 -0.00 -1.42 -0.00 -1.01 -4.99 115.22 104.76 1xjg n HIS 181 Ca 0.00 0.75 0.00 0.00 0.46 0.00 0.00 57.72 58.93 1xjg n HIS 181 Cb 0.00 -3.08 0.00 0.00 -0.12 0.00 0.00 29.99 26.79 1xjg n HIS 181 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xjg n GLY 182 N -1.73 1.00 0.00 1.57 0.00 -1.26 -5.07 105.19 99.70 1xjg n GLY 182 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1xjg n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xjg n LYS 183 N -0.87 0.00 -2.27 1.61 5.02 -1.26 -5.00 118.16 115.39 1xjg n LYS 183 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1xjg n LYS 183 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1xjg n LYS 183 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xjg s ALA 184 N -1.38 3.50 0.25 7.82 0.00 -0.97 -4.90 121.76 126.08 1xjg s ALA 184 Ca 0.00 1.06 0.19 0.00 0.00 0.00 0.00 51.96 53.21 1xjg s ALA 184 Cb 0.00 -3.46 0.83 0.00 0.00 0.00 0.00 23.12 20.48 1xjg s ALA 184 CO 0.00 -0.49 1.81 0.77 0.00 0.00 0.00 175.76 177.85 1xjg h SER 185 N 5.33 0.00 -4.65 0.00 0.02 -1.88 -1.98 113.55 110.38 1xjg h SER 185 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1xjg h SER 185 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1xjg h SER 185 CO 0.76 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 177.39 1xjg n GLY 186 N -0.07 0.55 0.26 -3.77 0.00 -1.26 -4.35 105.19 96.56 1xjg n GLY 186 Ca -0.01 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 1xjg n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjg h PRO 187 N 0.00 0.81 -0.43 1.61 0.13 -1.81 -2.34 132.00 129.98 1xjg h PRO 187 Ca 0.00 -0.36 0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1xjg h PRO 187 Cb 0.00 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.08 1xjg h PRO 187 CO 0.00 0.99 0.25 0.28 -0.23 0.00 0.00 178.00 179.29 1xjg h VAL 188 N 0.69 1.04 0.06 1.56 2.07 -1.95 0.01 116.25 119.73 1xjg h VAL 188 Ca 0.08 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1xjg h VAL 188 Cb 0.82 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1xjg h VAL 188 CO 0.07 0.09 -0.24 0.28 0.02 0.00 0.00 177.57 177.79 1xjg h SER 189 N 0.51 -0.69 0.45 0.57 0.02 -1.77 -2.96 113.55 109.67 1xjg h SER 189 Ca 0.17 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1xjg h SER 189 Cb 0.01 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1xjg h SER 189 CO -0.08 -0.32 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.02 1xjg h PHE 190 N -0.41 0.00 0.00 3.45 0.04 -0.83 0.56 116.94 119.76 1xjg h PHE 190 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1xjg h PHE 190 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1xjg h PHE 190 CO -0.25 0.01 0.00 0.52 -0.60 0.00 0.00 178.31 177.99 1xjg h MET 191 N 0.00 0.00 -0.03 1.51 2.86 -0.83 -2.25 114.93 116.18 1xjg h MET 191 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1xjg h MET 191 Cb 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1xjg h MET 191 CO 0.00 0.00 -0.28 0.45 1.06 0.00 0.00 176.91 178.14 1xjg h HIS 192 N 0.00 0.06 -0.04 -0.22 3.86 -0.94 0.12 115.15 117.99 1xjg h HIS 192 Ca 0.00 -0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 58.96 1xjg h HIS 192 Cb 0.53 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.99 1xjg h HIS 192 CO 0.00 0.33 -0.93 0.28 0.86 0.00 0.00 177.93 178.47 1xjg h VAL 193 N 0.05 1.33 -0.08 2.45 2.07 -1.53 0.22 116.25 120.75 1xjg h VAL 193 Ca 0.01 -2.24 0.01 0.00 0.82 0.00 0.00 66.70 65.29 1xjg h VAL 193 Cb 0.52 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1xjg h VAL 193 CO 0.04 0.69 0.03 -0.26 0.02 0.00 0.00 177.57 178.09 1xjg h PHE 194 N 0.36 0.06 -0.26 1.57 0.04 -1.46 0.18 116.94 117.44 1xjg h PHE 194 Ca -0.09 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.71 1xjg h PHE 194 Cb 1.56 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.67 1xjg h PHE 194 CO 0.08 0.03 0.09 -0.97 -0.60 0.00 0.00 178.31 176.95 1xjg h ASN 195 N 0.08 0.11 -0.61 2.17 -1.24 -0.53 -2.43 115.58 113.12 1xjg h ASN 195 Ca 0.03 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 1xjg h ASN 195 Cb 0.01 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 1xjg h ASN 195 CO -0.03 0.09 0.24 -1.28 -1.29 0.00 0.00 177.43 175.17 1xjg h SER 196 N 0.21 0.87 -0.62 1.15 0.87 -0.48 -1.99 113.55 113.56 1xjg h SER 196 Ca 0.11 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1xjg h SER 196 Cb 0.08 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 1xjg h SER 196 CO -0.11 0.79 0.39 0.00 -0.53 0.00 0.00 176.83 177.37 1xjg h ALA 197 N 1.34 0.81 0.00 6.23 0.00 -0.47 -2.79 119.26 124.38 1xjg h ALA 197 Ca 0.22 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1xjg h ALA 197 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xjg h ALA 197 CO -0.02 0.16 -0.78 0.82 0.00 0.00 0.00 179.25 179.43 1xjg h ILE 198 N 0.78 1.35 0.00 0.00 1.08 -1.32 -1.04 117.51 118.37 1xjg h ILE 198 Ca 0.24 -2.87 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 1xjg h ILE 198 Cb -0.01 2.64 0.00 0.00 -3.07 0.00 0.00 36.82 36.38 1xjg h ILE 198 CO -0.09 0.76 0.08 0.77 -0.69 0.00 0.00 178.15 178.99 1xjg h SER 199 N 0.00 0.00 0.00 1.72 4.64 -1.07 -2.73 113.55 116.11 1xjg h SER 199 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xjg h SER 199 Cb 1.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1xjg h SER 199 CO 0.10 0.00 -1.01 0.52 -0.87 0.00 0.00 176.83 175.57 1xjg n VAL 200 N -2.41 0.01 -3.15 0.95 0.31 -0.93 -4.69 118.33 108.42 1xjg n VAL 200 Ca -0.02 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 63.86 1xjg n VAL 200 Cb 0.12 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1xjg n VAL 200 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xjg n VAL 201 N -1.77 4.48 -3.38 2.52 0.31 -0.44 -5.12 118.33 114.92 1xjg n VAL 201 Ca -0.00 -5.14 -0.38 0.00 -0.01 0.00 0.00 64.34 58.81 1xjg n VAL 201 Cb 0.27 -2.52 -0.08 0.00 -0.91 0.00 0.00 33.84 30.61 1xjg n VAL 201 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1xjg s LYS 202 N -0.24 4.14 0.36 5.55 0.00 -1.25 -4.81 119.74 123.50 1xjg s LYS 202 Ca 0.36 0.17 -0.24 0.00 0.00 0.00 0.00 55.97 56.26 1xjg s LYS 202 Cb -0.06 -3.56 -0.10 0.00 0.00 0.00 0.00 37.83 34.10 1xjg s LYS 202 CO -0.04 -0.09 0.94 0.00 0.00 0.00 0.00 175.35 176.15 1xjg s ALA 210 N 1.49 3.15 0.09 0.59 0.00 -1.26 -5.05 121.76 120.76 1xjg s ALA 210 Ca 0.18 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1xjg s ALA 210 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1xjg s ALA 210 CO 0.08 0.16 -0.08 -0.51 0.00 0.00 0.00 175.76 175.42 1xjg s LEU 211 N -2.53 2.43 -0.20 0.00 1.43 -0.95 -4.44 118.68 114.42 1xjg s LEU 211 Ca 0.55 -0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1xjg s LEU 211 Cb -0.14 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 1xjg s LEU 211 CO 0.19 -0.35 0.07 -0.32 0.23 0.00 0.00 176.35 176.17 1xjg s MET 212 N -3.10 3.89 -0.23 1.70 -2.45 -0.93 -0.59 119.30 117.59 1xjg s MET 212 Ca 0.06 -0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.14 1xjg s MET 212 Cb -0.00 -3.25 0.05 0.00 1.25 0.00 0.00 34.83 32.88 1xjg s MET 212 CO -0.02 0.15 -0.14 0.20 1.05 0.00 0.00 175.02 176.26 1xjg s GLY 213 N 0.71 1.55 -0.06 2.11 0.00 -0.03 -1.54 107.32 110.07 1xjg s GLY 213 Ca 0.03 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.23 1xjg s GLY 213 CO 0.02 0.52 -0.18 -0.42 0.00 0.00 0.00 173.10 173.04 1xjg s ILE 214 N 1.18 2.71 0.06 0.90 1.01 -0.22 -2.05 121.20 124.78 1xjg s ILE 214 Ca -0.04 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.84 1xjg s ILE 214 Cb -0.18 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1xjg s ILE 214 CO -0.08 0.58 -0.21 -0.22 0.00 0.00 0.00 174.94 175.00 1xjg s LEU 215 N -0.45 2.19 0.54 2.97 2.96 -1.19 0.37 118.68 126.07 1xjg s LEU 215 Ca 0.05 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 1xjg s LEU 215 Cb -0.12 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 1xjg s LEU 215 CO 0.02 0.15 0.92 0.20 -1.32 0.00 0.00 176.35 176.32 1xjg s ASN 216 N -1.33 6.32 0.53 3.68 0.01 -1.26 0.49 114.94 123.38 1xjg s ASN 216 Ca 0.08 1.25 0.31 0.00 -0.71 0.00 0.00 52.86 53.79 1xjg s ASN 216 Cb -0.09 -2.39 1.25 0.00 0.41 0.00 0.00 41.25 40.43 1xjg s ASN 216 CO 0.02 -0.69 1.94 -0.29 -1.51 0.00 0.00 177.10 176.58 1xjg h ILE 217 N 0.15 0.13 -0.04 0.60 6.09 -1.38 -2.71 117.51 120.36 1xjg h ILE 217 Ca -0.46 -0.65 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 1xjg h ILE 217 Cb 1.19 1.57 0.00 0.00 0.47 0.00 0.00 36.82 40.06 1xjg h ILE 217 CO 0.62 0.05 0.00 -0.46 -3.07 0.00 0.00 178.15 175.29 1xjg n ASN 218 N -3.17 2.93 -4.77 2.19 6.94 -1.26 -4.90 115.26 113.23 1xjg n ASN 218 Ca 0.01 -1.96 -0.41 0.00 -0.02 0.00 0.00 54.58 52.19 1xjg n ASN 218 Cb 0.34 -0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 37.74 1xjg n ASN 218 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1xjg s HIS 219 N -1.91 2.63 0.53 -2.53 2.46 -1.02 -0.84 115.29 114.61 1xjg s HIS 219 Ca 0.27 0.97 0.42 0.00 0.47 0.00 0.00 55.06 57.19 1xjg s HIS 219 Cb 0.19 -4.07 2.18 0.00 -0.13 0.00 0.00 32.58 30.75 1xjg s HIS 219 CO 0.29 -3.36 2.28 -1.35 -2.47 0.00 0.00 174.74 170.13 1xjg h PRO 220 N 3.81 0.00 -0.46 2.88 0.11 -1.83 -2.71 132.00 133.80 1xjg h PRO 220 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xjg h PRO 220 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xjg h PRO 220 CO 0.71 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.25 1xjg n ASP 221 N -3.09 3.05 -0.29 -2.05 8.00 -1.26 -4.51 116.55 116.40 1xjg n ASP 221 Ca -0.02 -1.95 0.06 0.00 0.71 0.00 0.00 54.79 53.59 1xjg n ASP 221 Cb 0.13 -0.30 0.28 0.00 -0.02 0.00 0.00 41.12 41.21 1xjg n ASP 221 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xjg h ILE 222 N 3.63 1.00 -0.05 0.53 6.09 -1.78 0.06 117.51 127.00 1xjg h ILE 222 Ca 0.00 -0.32 -0.06 0.00 -1.37 0.00 0.00 64.86 63.11 1xjg h ILE 222 Cb 0.81 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.09 1xjg h ILE 222 CO 0.00 0.17 -0.26 -0.33 -3.07 0.00 0.00 178.15 174.66 1xjg h GLU 223 N 0.93 0.08 0.05 2.19 5.08 -1.85 -0.88 114.58 120.18 1xjg h GLU 223 Ca 0.40 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.50 1xjg h GLU 223 Cb 0.33 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1xjg h GLU 223 CO -0.16 0.34 -1.08 1.49 -1.00 0.00 0.00 179.01 178.59 1xjg h GLU 224 N 0.08 0.10 0.38 2.33 4.81 -1.35 -3.23 114.58 117.69 1xjg h GLU 224 Ca 0.01 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1xjg h GLU 224 Cb 0.50 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1xjg h GLU 224 CO 0.04 1.08 -0.18 0.35 -0.73 0.00 0.00 179.01 179.56 1xjg h PHE 225 N 0.03 -0.47 -1.42 0.92 3.57 -0.53 -1.74 116.94 117.31 1xjg h PHE 225 Ca -0.06 -0.01 0.45 0.00 3.53 0.00 0.00 57.97 61.88 1xjg h PHE 225 Cb 1.83 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 40.63 1xjg h PHE 225 CO 0.02 -0.14 0.96 -0.89 -2.23 0.00 0.00 178.31 176.03 1xjg n ILE 226 N -5.17 -0.13 1.06 1.41 5.41 -0.44 -0.34 119.36 121.15 1xjg n ILE 226 Ca -0.10 1.46 0.11 0.00 1.00 0.00 0.00 62.75 65.23 1xjg n ILE 226 Cb 0.28 -2.40 0.08 0.00 -0.71 0.00 0.00 39.64 36.89 1xjg n ILE 226 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1xjg n ASP 227 N -4.13 1.65 -0.46 4.38 9.92 -1.00 -4.56 116.55 122.37 1xjg n ASP 227 Ca 0.37 -1.28 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 1xjg n ASP 227 Cb 1.53 0.44 0.00 0.00 -0.64 0.00 0.00 41.12 42.45 1xjg n ASP 227 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xjg n ALA 228 N -0.35 1.81 -3.05 2.24 0.00 0.54 -2.94 120.51 118.76 1xjg n ALA 228 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 1xjg n ALA 228 Cb 0.42 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 1xjg n ALA 228 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xjg n LYS 229 N 0.17 0.70 -0.21 0.00 5.02 -1.26 -4.13 118.16 118.45 1xjg n LYS 229 Ca 0.00 -2.71 0.04 0.00 -2.02 0.00 0.00 58.31 53.62 1xjg n LYS 229 Cb 0.12 -1.32 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 1xjg n LYS 229 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xjg n LYS 230 N 1.60 0.86 0.00 1.97 5.02 -1.15 -5.07 118.16 121.39 1xjg n LYS 230 Ca 0.18 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 54.89 1xjg n LYS 230 Cb 0.56 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 1xjg n LYS 230 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1xjg n VAL 237 N -0.59 0.00 -2.28 -0.18 0.24 -1.26 -5.21 118.33 109.05 1xjg n VAL 237 Ca 0.06 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.00 1xjg n VAL 237 Cb 0.59 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.98 1xjg n VAL 237 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xjg n LEU 238 N 0.00 6.57 0.22 1.34 4.77 -1.26 -4.88 117.00 123.76 1xjg n LEU 238 Ca 0.00 -5.11 0.15 0.00 -0.03 0.00 0.00 56.01 51.02 1xjg n LEU 238 Cb 0.00 -0.90 0.58 0.00 -2.33 0.00 0.00 43.42 40.77 1xjg n LEU 238 CO 0.00 1.98 0.94 -0.55 -1.33 0.00 0.00 177.39 178.43 1xjg h ASN 239 N 3.13 0.00 -0.06 -1.43 7.08 -1.96 -1.18 115.58 121.17 1xjg h ASN 239 Ca 0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.68 1xjg h ASN 239 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.57 1xjg h ASN 239 CO 1.20 0.00 0.00 0.49 -2.08 0.00 0.00 177.43 177.04 1xjg n PHE 240 N -2.81 0.07 -3.64 4.14 3.01 -1.26 -4.89 117.46 112.09 1xjg n PHE 240 Ca 0.02 -0.03 -0.37 0.00 1.01 0.00 0.00 57.45 58.07 1xjg n PHE 240 Cb 0.31 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.71 1xjg n PHE 240 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1xjg s PHE 241 N -1.93 3.57 0.02 1.38 0.40 -0.45 -2.25 117.98 118.72 1xjg s PHE 241 Ca 0.37 0.67 -0.20 0.00 -0.60 0.00 0.00 56.93 57.16 1xjg s PHE 241 Cb 0.20 -2.20 -0.06 0.00 0.51 0.00 0.00 43.02 41.47 1xjg s PHE 241 CO 0.31 0.49 0.60 -0.80 0.70 0.00 0.00 175.22 176.52 1xjg s ASN 242 N -0.37 7.01 -0.08 1.36 0.01 0.25 -4.92 114.94 118.20 1xjg s ASN 242 Ca 0.17 1.20 0.04 0.00 -0.71 0.00 0.00 52.86 53.57 1xjg s ASN 242 Cb -0.14 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.15 1xjg s ASN 242 CO 0.06 0.14 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.82 1xjg s LEU 243 N -0.43 2.28 0.09 0.60 1.43 -1.26 -0.85 118.68 120.54 1xjg s LEU 243 Ca 0.31 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 1xjg s LEU 243 Cb -0.19 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1xjg s LEU 243 CO 0.18 0.22 -0.19 -0.44 0.23 0.00 0.00 176.35 176.35 1xjg s SER 244 N -0.01 2.26 -0.06 2.29 0.01 -0.87 0.42 113.70 117.75 1xjg s SER 244 Ca -0.07 -0.67 -0.25 0.00 1.31 0.00 0.00 55.95 56.27 1xjg s SER 244 Cb -0.15 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 1xjg s SER 244 CO 0.05 0.01 0.78 -0.69 0.41 0.00 0.00 173.24 173.81 1xjg s VAL 245 N -1.20 4.99 -0.11 3.43 1.01 0.13 -3.18 120.40 125.47 1xjg s VAL 245 Ca 0.04 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 63.46 1xjg s VAL 245 Cb -0.10 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1xjg s VAL 245 CO 0.04 0.21 0.47 -0.83 0.00 0.00 0.00 175.10 174.99 1xjg s GLY 246 N 0.88 2.40 -0.48 4.51 0.00 0.18 -0.63 107.32 114.18 1xjg s GLY 246 Ca 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1xjg s GLY 246 CO 0.20 0.72 0.25 -1.36 0.00 0.00 0.00 173.10 172.92 1xjg s PHE 247 N 0.49 3.48 -0.01 1.90 0.08 0.40 -0.92 117.98 123.40 1xjg s PHE 247 Ca 0.26 -2.82 0.11 0.00 0.12 0.00 0.00 56.93 54.60 1xjg s PHE 247 Cb -0.15 -3.06 -0.12 0.00 -0.57 0.00 0.00 43.02 39.12 1xjg s PHE 247 CO 0.10 -0.87 1.21 -1.00 -0.10 0.00 0.00 175.22 174.56 1xjg h PRO 248 N 7.29 0.00 -7.20 0.24 0.13 -1.92 0.54 132.00 131.08 1xjg h PRO 248 Ca -0.07 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.64 1xjg h PRO 248 Cb 0.98 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.30 1xjg h PRO 248 CO 0.66 0.72 0.04 0.00 -0.23 0.00 0.00 178.00 179.19 1xjg s MET 249 N -2.79 -1.01 0.35 0.86 0.23 -1.26 -3.14 119.30 112.54 1xjg s MET 249 Ca 0.01 0.55 -0.28 0.00 -1.03 0.00 0.00 55.69 54.94 1xjg s MET 249 Cb 0.09 -1.57 -0.10 0.00 -1.53 0.00 0.00 34.83 31.73 1xjg s MET 249 CO 0.80 -3.71 1.28 0.34 -2.03 0.00 0.00 175.02 171.70 1xjg s ASP 250 N -2.95 6.65 0.24 -1.18 -1.08 -1.26 -4.12 116.67 112.97 1xjg s ASP 250 Ca 0.68 2.62 -0.07 0.00 -0.52 0.00 0.00 52.55 55.26 1xjg s ASP 250 Cb -0.21 -2.64 0.42 0.00 -1.46 0.00 0.00 42.92 39.03 1xjg s ASP 250 CO 0.61 -0.61 1.64 0.11 0.52 0.00 0.00 175.17 177.44 1xjg h LYS 251 N 3.14 0.10 -0.91 4.34 1.57 -1.93 -1.70 116.57 121.19 1xjg h LYS 251 Ca -0.49 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1xjg h LYS 251 Cb 1.23 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 1xjg h LYS 251 CO 0.64 0.07 0.59 0.87 -0.57 0.00 0.00 179.45 181.06 1xjg h LYS 252 N 0.11 1.21 -0.63 3.15 1.57 -1.92 0.64 116.57 120.69 1xjg h LYS 252 Ca 0.40 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 1xjg h LYS 252 Cb 0.70 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1xjg h LYS 252 CO -0.65 0.81 0.35 1.49 -0.57 0.00 0.00 179.45 180.88 1xjg h GLU 253 N 1.24 0.65 -0.15 3.15 4.81 -1.70 -1.01 114.58 121.57 1xjg h GLU 253 Ca 0.33 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.33 1xjg h GLU 253 Cb -0.13 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.12 1xjg h GLU 253 CO -0.07 0.43 -0.66 0.82 -0.73 0.00 0.00 179.01 178.80 1xjg h ILE 254 N 0.67 1.30 -0.84 2.32 1.08 -0.96 -2.50 117.51 118.58 1xjg h ILE 254 Ca 0.28 -1.89 0.01 0.00 -0.39 0.00 0.00 64.86 62.87 1xjg h ILE 254 Cb 0.14 2.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.86 1xjg h ILE 254 CO -0.16 0.59 0.55 0.25 -0.69 0.00 0.00 178.15 178.68 1xjg h LEU 255 N 0.42 0.98 0.72 1.44 5.85 -0.69 -1.60 115.31 122.44 1xjg h LEU 255 Ca -0.04 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1xjg h LEU 255 Cb 1.29 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1xjg h LEU 255 CO 0.14 0.72 -0.45 0.50 -0.34 0.00 0.00 178.44 179.00 1xjg h LYS 256 N 1.14 -1.06 -0.95 1.25 3.64 -1.08 -1.66 116.57 117.85 1xjg h LYS 256 Ca 0.31 0.07 0.29 0.00 -1.27 0.00 0.00 60.65 60.04 1xjg h LYS 256 Cb -0.11 0.24 -0.15 0.00 -0.41 0.00 0.00 32.23 31.80 1xjg h LYS 256 CO -0.06 -0.71 0.43 1.25 -2.27 0.00 0.00 179.45 178.09 1xjg h LEU 257 N -1.10 0.30 0.07 5.20 5.85 -1.38 -1.30 115.31 122.95 1xjg h LEU 257 Ca -0.10 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1xjg h LEU 257 Cb 0.89 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1xjg h LEU 257 CO 0.09 -0.14 -0.04 0.22 -0.34 0.00 0.00 178.44 178.23 1xjg h TYR 258 N 0.28 -0.09 0.00 1.25 5.03 -1.06 0.31 116.97 122.68 1xjg h TYR 258 Ca 0.66 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.97 1xjg h TYR 258 Cb 1.44 0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.75 1xjg h TYR 258 CO -0.12 0.19 0.00 1.05 -1.32 0.00 0.00 178.16 177.96 1xjg h GLU 259 N -0.38 0.00 -0.00 1.82 4.11 -0.35 -0.74 114.58 119.04 1xjg h GLU 259 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1xjg h GLU 259 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1xjg h GLU 259 CO 0.02 0.00 -0.18 0.39 0.07 0.00 0.00 179.01 179.31 1xjg n GLU 260 N -3.05 0.34 -2.42 1.06 1.02 -0.58 -4.95 120.64 112.06 1xjg n GLU 260 Ca 0.01 -0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 56.85 1xjg n GLU 260 Cb 0.34 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1xjg n GLU 260 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xjg n ASP 261 N -1.22 -5.17 -3.31 1.62 4.64 -0.28 -4.99 116.55 107.84 1xjg n ASP 261 Ca 0.10 -0.05 -0.25 0.00 -1.38 0.00 0.00 54.79 53.21 1xjg n ASP 261 Cb 0.31 -4.21 0.22 0.00 -1.04 0.00 0.00 41.12 36.40 1xjg n ASP 261 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xjg n GLY 262 N -1.08 -3.16 3.32 0.27 0.00 0.11 -4.83 105.19 99.81 1xjg n GLY 262 Ca -0.19 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 1xjg n GLY 262 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xjg s GLU 263 N -4.95 1.29 -0.11 1.61 2.02 -1.26 -2.33 118.70 114.97 1xjg s GLU 263 Ca 0.58 -1.19 0.01 0.00 0.02 0.00 0.00 54.97 54.39 1xjg s GLU 263 Cb -0.07 -1.61 -0.01 0.00 0.10 0.00 0.00 34.13 32.53 1xjg s GLU 263 CO 0.46 0.38 -0.15 -1.17 0.02 0.00 0.00 175.26 174.81 1xjg s LEU 264 N -1.81 2.63 -0.30 1.80 2.96 0.18 -4.88 118.68 119.26 1xjg s LEU 264 Ca 0.09 -0.34 -0.28 0.00 -0.22 0.00 0.00 54.13 53.38 1xjg s LEU 264 Cb -0.10 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.03 1xjg s LEU 264 CO 0.04 0.19 1.03 -0.70 -1.32 0.00 0.00 176.35 175.59 1xjg s GLU 265 N 0.17 4.10 -0.23 1.98 2.56 -1.26 -1.59 118.70 124.42 1xjg s GLU 265 Ca -0.08 1.07 -0.11 0.00 0.00 0.00 0.00 54.97 55.85 1xjg s GLU 265 Cb -0.15 -3.71 -0.05 0.00 2.00 0.00 0.00 34.13 32.21 1xjg s GLU 265 CO 0.05 -0.81 0.16 -0.51 -0.56 0.00 0.00 175.26 173.59 1xjg s LEU 266 N 3.45 4.13 0.16 2.70 1.43 0.86 -4.81 118.68 126.60 1xjg s LEU 266 Ca 0.43 0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 53.43 1xjg s LEU 266 Cb -0.13 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.04 1xjg s LEU 266 CO 0.13 0.08 0.83 -0.94 0.23 0.00 0.00 176.35 176.68 1xjg s SER 267 N 0.93 -0.30 -0.02 2.29 1.04 -0.02 -0.78 113.70 116.84 1xjg s SER 267 Ca 0.08 -0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 1xjg s SER 267 Cb -0.13 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1xjg s SER 267 CO 0.03 -0.97 0.06 -2.28 0.98 0.00 0.00 173.24 171.06 1xjg s HIS 268 N -3.49 -0.04 0.18 5.02 2.46 -1.26 -4.36 115.29 113.81 1xjg s HIS 268 Ca 0.09 0.10 -0.17 0.00 0.47 0.00 0.00 55.06 55.54 1xjg s HIS 268 Cb -0.02 0.00 0.14 0.00 -0.13 0.00 0.00 32.58 32.57 1xjg s HIS 268 CO -0.01 -0.05 1.63 -1.35 -2.47 0.00 0.00 174.74 172.49 1xjg h PRO 269 N 5.87 -0.07 -1.63 2.88 0.11 -1.96 -3.02 132.00 134.19 1xjg h PRO 269 Ca -0.25 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.16 1xjg h PRO 269 Cb 1.21 0.02 -0.32 0.00 0.11 0.00 0.00 31.00 32.01 1xjg h PRO 269 CO 0.46 -0.04 0.53 0.54 -0.21 0.00 0.00 178.00 179.28 1xjg n ARG 270 N -5.38 2.94 -3.71 1.05 1.74 -1.26 -4.91 116.66 107.13 1xjg n ARG 270 Ca 0.04 -3.73 -0.08 0.00 -0.77 0.00 0.00 57.85 53.31 1xjg n ARG 270 Cb 0.29 -2.27 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 1xjg n ARG 270 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xjg s SER 271 N -1.90 -0.33 0.00 0.55 0.15 -1.14 -4.86 113.70 106.17 1xjg s SER 271 Ca 0.53 -0.38 0.14 0.00 0.70 0.00 0.00 55.95 56.94 1xjg s SER 271 Cb 0.44 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 65.38 1xjg s SER 271 CO -0.27 -1.14 0.78 0.35 1.20 0.00 0.00 173.24 174.16 1xjg n THR 272 N -0.43 0.00 -1.76 6.45 -2.24 -1.26 -4.63 114.28 110.41 1xjg n THR 272 Ca -0.08 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 1xjg n THR 272 Cb 0.61 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.97 1xjg n THR 272 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xjg s ILE 273 N -1.73 2.69 -0.01 2.28 1.09 -1.26 -5.01 121.20 119.25 1xjg s ILE 273 Ca 0.12 0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.83 1xjg s ILE 273 Cb 0.11 -3.10 0.00 0.00 -1.06 0.00 0.00 42.46 38.42 1xjg s ILE 273 CO 0.36 -0.00 -0.04 -0.13 -0.10 0.00 0.00 174.94 175.03 1xjg s ARG 274 N 2.85 0.41 0.07 2.79 0.52 -1.26 -4.25 118.95 120.07 1xjg s ARG 274 Ca 0.80 -0.13 -0.06 0.00 -0.52 0.00 0.00 55.73 55.81 1xjg s ARG 274 Cb -0.44 -0.42 -0.01 0.00 0.52 0.00 0.00 34.95 34.59 1xjg s ARG 274 CO 0.36 0.05 0.12 0.21 0.02 0.00 0.00 175.30 176.06 1xjg s LYS 275 N 0.13 0.75 -0.07 3.54 2.20 0.04 -5.00 119.74 121.34 1xjg s LYS 275 Ca -0.01 -1.01 0.03 0.00 -0.36 0.00 0.00 55.97 54.63 1xjg s LYS 275 Cb -0.04 0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1xjg s LYS 275 CO -0.00 -0.21 -0.16 0.15 -0.36 0.00 0.00 175.35 174.76 1xjg s LYS 276 N -3.74 2.05 0.03 4.03 1.02 -1.26 -0.10 119.74 121.77 1xjg s LYS 276 Ca 0.04 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.48 1xjg s LYS 276 Cb 0.05 -1.66 -0.02 0.00 -0.52 0.00 0.00 37.83 35.68 1xjg s LYS 276 CO -0.10 0.12 -0.07 0.14 -0.92 0.00 0.00 175.35 174.52 1xjg s VAL 277 N 0.42 0.47 0.13 3.17 -7.23 -0.62 -4.96 120.40 111.78 1xjg s VAL 277 Ca -0.13 -0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 58.92 1xjg s VAL 277 Cb -0.15 -0.50 -0.10 0.00 0.56 0.00 0.00 36.38 36.19 1xjg s VAL 277 CO 0.05 -0.25 1.68 -0.54 -0.31 0.00 0.00 175.10 175.73 1xjg s LYS 278 N -1.14 4.18 0.34 4.82 -0.14 -1.26 0.52 119.74 127.05 1xjg s LYS 278 Ca -0.07 2.45 0.08 0.00 -1.36 0.00 0.00 55.97 57.07 1xjg s LYS 278 Cb -0.08 -3.40 0.60 0.00 -1.68 0.00 0.00 37.83 33.27 1xjg s LYS 278 CO 0.00 -0.73 1.79 0.97 -0.76 0.00 0.00 175.35 176.62 1xjg h ILE 279 N 4.42 1.26 -0.78 2.17 6.09 -1.78 -2.50 117.51 126.39 1xjg h ILE 279 Ca -0.44 -1.24 -0.03 0.00 -1.37 0.00 0.00 64.86 61.78 1xjg h ILE 279 Cb 1.21 1.53 -0.04 0.00 0.47 0.00 0.00 36.82 39.99 1xjg h ILE 279 CO 0.93 0.37 0.37 0.03 -3.07 0.00 0.00 178.15 176.79 1xjg h ARG 280 N 0.18 1.12 -0.22 2.19 3.08 -1.89 0.01 114.38 118.85 1xjg h ARG 280 Ca 0.03 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 1xjg h ARG 280 Cb 0.65 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1xjg h ARG 280 CO 0.05 0.86 -0.47 0.93 -1.07 0.00 0.00 179.97 180.26 1xjg h GLU 281 N 1.11 0.57 -0.28 0.04 5.08 -1.86 0.17 114.58 119.42 1xjg h GLU 281 Ca 0.27 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1xjg h GLU 281 Cb 0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1xjg h GLU 281 CO -0.03 0.92 0.03 1.25 -1.00 0.00 0.00 179.01 180.18 1xjg h LEU 282 N 0.46 0.46 -0.88 1.33 5.85 -1.06 -0.67 115.31 120.80 1xjg h LEU 282 Ca 0.03 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1xjg h LEU 282 Cb 1.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 1xjg h LEU 282 CO 0.09 0.62 0.52 -0.26 -0.34 0.00 0.00 178.44 179.08 1xjg h PHE 283 N 0.27 1.16 -0.61 1.25 0.04 -0.85 -1.01 116.94 117.19 1xjg h PHE 283 Ca 0.08 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 1xjg h PHE 283 Cb 0.37 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1xjg h PHE 283 CO 0.03 0.77 0.22 -0.09 -0.60 0.00 0.00 178.31 178.64 1xjg h ARG 284 N 1.21 0.94 -0.11 1.51 2.43 -0.33 0.11 114.38 120.14 1xjg h ARG 284 Ca 0.31 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1xjg h ARG 284 Cb -0.04 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1xjg h ARG 284 CO -0.06 0.82 0.03 -0.22 -1.51 0.00 0.00 179.97 179.03 1xjg h LYS 285 N 0.87 0.08 0.20 0.20 3.64 -0.79 0.57 116.57 121.33 1xjg h LYS 285 Ca 0.20 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1xjg h LYS 285 Cb 0.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1xjg h LYS 285 CO -0.01 0.05 -0.16 0.82 -2.27 0.00 0.00 179.45 177.88 1xjg h ILE 286 N 0.08 0.66 -0.60 2.00 2.04 -0.99 -2.33 117.51 118.37 1xjg h ILE 286 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 1xjg h ILE 286 Cb 0.03 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 1xjg h ILE 286 CO -0.05 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.17 1xjg h ALA 287 N 0.41 0.66 -0.19 1.87 0.00 -0.49 0.01 119.26 121.53 1xjg h ALA 287 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xjg h ALA 287 Cb 0.33 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xjg h ALA 287 CO -0.01 -0.35 0.12 1.15 0.00 0.00 0.00 179.25 180.16 1xjg h THR 288 N 0.19 1.06 -0.44 0.00 2.02 -0.80 0.44 112.91 115.38 1xjg h THR 288 Ca 0.31 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.27 1xjg h THR 288 Cb 0.49 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1xjg h THR 288 CO -0.45 0.06 -0.06 0.78 0.37 0.00 0.00 175.52 176.23 1xjg h ASN 289 N 0.24 0.73 -0.34 4.18 -0.26 -0.94 0.23 115.58 119.42 1xjg h ASN 289 Ca 0.07 -0.20 -0.11 0.00 -0.56 0.00 0.00 56.30 55.50 1xjg h ASN 289 Cb -0.00 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 1xjg h ASN 289 CO -0.01 0.84 -0.22 0.00 -1.06 0.00 0.00 177.43 176.98 1xjg h ALA 290 N 1.24 0.49 -0.93 -0.83 0.00 -0.57 -0.75 119.26 117.90 1xjg h ALA 290 Ca 0.13 -0.37 0.18 0.00 0.00 0.00 0.00 54.91 54.85 1xjg h ALA 290 Cb 0.51 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 1xjg h ALA 290 CO 0.03 0.45 0.52 2.35 0.00 0.00 0.00 179.25 182.59 1xjg h TRP 291 N 0.53 0.90 -0.02 0.00 7.01 0.34 0.12 115.95 124.83 1xjg h TRP 291 Ca 0.07 0.04 -0.19 0.00 2.11 0.00 0.00 58.89 60.91 1xjg h TRP 291 Cb 0.77 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1xjg h TRP 291 CO 0.06 0.17 -0.84 0.87 -2.79 0.00 0.00 178.44 175.92 1xjg h LYS 292 N 0.65 0.28 0.00 2.65 1.57 0.14 -3.43 116.57 118.43 1xjg h LYS 292 Ca 0.54 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1xjg h LYS 292 Cb 0.85 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1xjg h LYS 292 CO -0.40 0.96 0.00 -1.13 -0.57 0.00 0.00 179.45 178.31 1xjg n SER 293 N -3.73 0.00 0.00 0.86 3.41 -0.35 -4.47 113.62 109.34 1xjg n SER 293 Ca -0.04 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1xjg n SER 293 Cb 0.77 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1xjg n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xjg n GLY 294 N 0.00 0.93 3.17 5.00 0.00 0.38 -4.89 105.19 109.78 1xjg n GLY 294 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1xjg n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjg s ASP 295 N -3.03 1.57 0.53 1.61 1.01 -1.26 -4.58 116.67 112.53 1xjg s ASP 295 Ca 0.00 -0.71 -0.01 0.00 0.71 0.00 0.00 52.55 52.54 1xjg s ASP 295 Cb 0.00 -0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.92 1xjg s ASP 295 CO 0.00 -0.16 0.78 -2.16 0.21 0.00 0.00 175.17 173.84 1xjg s PRO 296 N -2.22 2.81 0.79 8.23 0.04 -1.26 -2.29 135.00 141.10 1xjg s PRO 296 Ca 0.01 -0.45 -0.06 0.00 0.04 0.00 0.00 61.00 60.54 1xjg s PRO 296 Cb -0.07 -2.44 0.14 0.00 0.04 0.00 0.00 34.50 32.17 1xjg s PRO 296 CO 0.01 -0.57 1.09 0.20 0.04 0.00 0.00 177.00 177.77 1xjg s GLY 297 N -4.32 1.76 -0.15 0.56 0.00 0.17 -4.74 107.32 100.59 1xjg s GLY 297 Ca 0.53 -1.45 -0.07 0.00 0.00 0.00 0.00 44.72 43.73 1xjg s GLY 297 CO 0.40 -0.85 0.09 1.08 0.00 0.00 0.00 173.10 173.83 1xjg s LEU 298 N -5.38 4.04 -0.21 0.66 1.43 -0.64 0.20 118.68 118.78 1xjg s LEU 298 Ca 0.68 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 1xjg s LEU 298 Cb -0.06 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.20 1xjg s LEU 298 CO 0.47 0.28 -0.16 0.00 0.23 0.00 0.00 176.35 177.16 1xjg s ALA 299 N -0.24 2.43 -1.19 4.21 0.00 0.20 -0.62 121.76 126.56 1xjg s ALA 299 Ca 0.09 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 1xjg s ALA 299 Cb -0.12 -1.35 0.21 0.00 0.00 0.00 0.00 23.12 21.86 1xjg s ALA 299 CO 0.01 -0.70 1.44 1.19 0.00 0.00 0.00 175.76 177.70 1xjg n PHE 300 N 4.54 4.39 -0.27 0.00 3.72 0.19 -0.46 117.46 129.58 1xjg n PHE 300 Ca -0.18 -3.32 0.05 0.00 -0.05 0.00 0.00 57.45 53.96 1xjg n PHE 300 Cb 0.47 -1.92 0.19 0.00 -0.94 0.00 0.00 39.48 37.28 1xjg n PHE 300 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xjg h LEU 301 N 8.12 0.45 -0.10 4.37 3.38 -1.50 -2.54 115.31 127.49 1xjg h LEU 301 Ca 0.28 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.39 1xjg h LEU 301 Cb 0.80 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1xjg h LEU 301 CO 1.27 0.20 -0.31 1.23 0.09 0.00 0.00 178.44 180.92 1xjg h GLY 302 N 0.57 -0.43 2.00 0.83 0.00 -0.89 -0.27 103.07 104.89 1xjg h GLY 302 Ca 0.42 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 48.11 1xjg h GLY 302 CO -0.35 -0.22 -0.07 -2.09 0.00 0.00 0.00 176.54 173.81 1xjg h GLU 303 N -0.40 0.00 -0.00 4.80 4.57 -1.72 -0.48 114.58 121.34 1xjg h GLU 303 Ca 0.09 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.01 1xjg h GLU 303 Cb 0.53 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1xjg h GLU 303 CO -0.32 0.07 -1.02 0.52 -1.18 0.00 0.00 179.01 177.07 1xjg h MET 304 N 0.00 0.65 -0.56 1.92 2.86 -0.69 -3.09 114.93 116.01 1xjg h MET 304 Ca -0.00 -0.69 -0.09 0.00 -2.06 0.00 0.00 59.70 56.86 1xjg h MET 304 Cb 0.13 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1xjg h MET 304 CO 0.01 1.28 -0.01 -0.91 1.06 0.00 0.00 176.91 178.34 1xjg h ASN 305 N 0.37 0.96 -1.08 1.22 2.35 -0.51 -2.38 115.58 116.50 1xjg h ASN 305 Ca -0.12 -0.27 0.29 0.00 -0.55 0.00 0.00 56.30 55.66 1xjg h ASN 305 Cb 1.67 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 39.70 1xjg h ASN 305 CO 0.20 1.02 0.72 0.50 -1.65 0.00 0.00 177.43 178.22 1xjg h LYS 306 N 0.90 0.26 -0.37 0.81 3.64 -1.03 0.75 116.57 121.53 1xjg h LYS 306 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1xjg h LYS 306 Cb 0.54 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1xjg h LYS 306 CO 0.03 0.17 0.00 0.66 -2.27 0.00 0.00 179.45 178.04 1xjg n TYR 307 N -4.50 0.48 -2.68 1.91 4.01 -1.02 -4.95 117.16 110.41 1xjg n TYR 307 Ca 0.25 -0.37 -0.43 0.00 -0.16 0.00 0.00 57.90 57.20 1xjg n TYR 307 Cb 0.99 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.99 1xjg n TYR 307 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1xjg s TYR 308 N -1.08 3.09 0.32 -0.72 5.04 0.25 -4.61 117.35 119.64 1xjg s TYR 308 Ca 0.29 1.02 0.10 0.00 -2.44 0.00 0.00 57.07 56.04 1xjg s TYR 308 Cb 0.16 -3.77 0.96 0.00 0.35 0.00 0.00 41.96 39.66 1xjg s TYR 308 CO 0.22 -0.85 1.66 -1.35 -1.34 0.00 0.00 175.55 173.89 1xjg h PRO 309 N 8.35 0.30 -0.17 4.97 0.11 -1.87 -1.80 132.00 141.89 1xjg h PRO 309 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1xjg h PRO 309 Cb 1.07 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1xjg h PRO 309 CO 1.03 0.20 0.00 1.28 -0.21 0.00 0.00 178.00 180.30 1xjg n LEU 310 N -5.09 2.03 -4.72 2.35 4.77 -1.26 -0.70 117.00 114.38 1xjg n LEU 310 Ca 0.28 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 1xjg n LEU 310 Cb 0.88 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 1xjg n LEU 310 CO 0.09 0.41 0.75 -0.47 -1.33 0.00 0.00 177.39 176.84 1xjg s TYR 311 N -1.78 3.60 -1.74 -1.77 5.04 -0.68 -0.23 117.35 119.79 1xjg s TYR 311 Ca 0.34 1.57 0.21 0.00 -2.44 0.00 0.00 57.07 56.75 1xjg s TYR 311 Cb 0.19 -3.22 0.66 0.00 0.35 0.00 0.00 41.96 39.94 1xjg s TYR 311 CO 0.28 -0.45 1.56 -0.35 -1.34 0.00 0.00 175.55 175.26 1xjg n PRO 312 N 3.67 3.00 0.00 4.97 -0.04 -1.26 -4.96 135.00 140.38 1xjg n PRO 312 Ca 0.06 -2.72 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1xjg n PRO 312 Cb 0.49 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1xjg n PRO 312 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1xjg n HIS 313 N 1.51 0.00 -2.40 0.54 -0.00 0.68 -4.63 115.22 110.92 1xjg n HIS 313 Ca 0.25 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 58.16 1xjg n HIS 313 Cb 0.69 -0.47 0.03 0.00 -0.12 0.00 0.00 29.99 30.12 1xjg n HIS 313 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1xjg s ARG 314 N -2.87 3.00 -0.01 1.57 0.52 -0.33 -5.12 118.95 115.71 1xjg s ARG 314 Ca 0.00 0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.27 1xjg s ARG 314 Cb 0.00 -2.27 -0.00 0.00 0.52 0.00 0.00 34.95 33.19 1xjg s ARG 314 CO 0.00 -0.65 -0.06 0.21 0.02 0.00 0.00 175.30 174.82 1xjg s LYS 315 N -4.98 0.52 -0.27 3.54 2.20 -1.26 -3.59 119.74 115.90 1xjg s LYS 315 Ca 0.53 -0.21 -0.14 0.00 -0.36 0.00 0.00 55.97 55.80 1xjg s LYS 315 Cb -0.11 -0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 35.67 1xjg s LYS 315 CO 0.45 0.12 0.31 0.42 -0.36 0.00 0.00 175.35 176.29 1xjg s ILE 316 N -0.06 5.22 -0.01 5.43 1.01 -1.26 -4.13 121.20 127.40 1xjg s ILE 316 Ca 0.01 0.45 0.05 0.00 0.00 0.00 0.00 60.65 61.17 1xjg s ILE 316 Cb -0.03 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 1xjg s ILE 316 CO -0.00 0.20 0.11 0.59 0.00 0.00 0.00 174.94 175.84 1xjg n ASN 317 N 5.13 3.77 -3.61 3.58 4.13 -1.25 -4.84 115.26 122.18 1xjg n ASN 317 Ca -0.10 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.05 1xjg n ASN 317 Cb 0.51 1.18 -0.04 0.00 -1.54 0.00 0.00 39.78 39.89 1xjg n ASN 317 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1xjg s SER 318 N -2.73 -0.29 0.36 6.41 0.15 -1.25 -4.36 113.70 111.99 1xjg s SER 318 Ca -0.02 -0.21 0.07 0.00 0.70 0.00 0.00 55.95 56.49 1xjg s SER 318 Cb 0.03 0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 64.81 1xjg s SER 318 CO 0.22 -0.84 0.35 0.42 1.20 0.00 0.00 173.24 174.60 1xjg s THR 319 N -3.57 3.39 1.12 6.45 -4.23 -1.26 -1.48 115.64 116.05 1xjg s THR 319 Ca 0.01 -1.29 -0.19 0.00 -1.18 0.00 0.00 61.69 59.05 1xjg s THR 319 Cb 0.01 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 70.96 1xjg s THR 319 CO -0.11 -0.12 0.97 -0.46 -0.54 0.00 0.00 174.62 174.36 1xjg n ASN 320 N -1.48 -2.10 -0.34 3.99 0.23 -1.12 -4.10 115.26 110.34 1xjg n ASN 320 Ca 0.00 -1.08 0.21 0.00 -0.53 0.00 0.00 54.58 53.18 1xjg n ASN 320 Cb 0.60 -0.90 0.44 0.00 -2.08 0.00 0.00 39.78 37.84 1xjg n ASN 320 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1xjg h PRO 321 N 0.00 0.44 -0.49 -0.53 0.11 -1.84 -2.46 132.00 127.24 1xjg h PRO 321 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xjg h PRO 321 Cb 1.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xjg h PRO 321 CO 0.24 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 1xjg n GLY 323 N 0.61 2.43 0.07 0.00 0.00 -0.93 -4.62 105.19 102.76 1xjg n GLY 323 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1xjg n GLY 323 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xjg n GLU 324 N -2.00 0.19 -4.09 1.61 0.00 -1.26 -4.48 120.64 110.60 1xjg n GLU 324 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 57.16 56.98 1xjg n GLU 324 Cb 0.00 -1.71 -0.16 0.00 0.00 0.00 0.00 31.44 29.58 1xjg n GLU 324 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1xjg s ILE 325 N -3.08 2.00 -0.11 3.84 -1.09 -1.26 -0.72 121.20 120.78 1xjg s ILE 325 Ca 0.11 -1.06 -0.30 0.00 -2.23 0.00 0.00 60.65 57.18 1xjg s ILE 325 Cb 0.14 -1.90 -0.02 0.00 -1.58 0.00 0.00 42.46 39.11 1xjg s ILE 325 CO 0.59 0.38 1.10 -0.83 -1.23 0.00 0.00 174.94 174.95 1xjg s GLY 326 N 1.28 2.11 0.05 6.18 0.00 -1.26 -2.80 107.32 112.87 1xjg s GLY 326 Ca 0.02 0.43 0.08 0.00 0.00 0.00 0.00 44.72 45.24 1xjg s GLY 326 CO -0.11 2.11 -0.21 1.08 0.00 0.00 0.00 173.10 175.97 1xjg s LEU 327 N 2.40 2.18 0.89 0.66 1.43 -0.55 -4.99 118.68 120.70 1xjg s LEU 327 Ca 0.51 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 1xjg s LEU 327 Cb -0.20 -0.98 0.15 0.00 0.03 0.00 0.00 46.19 45.19 1xjg s LEU 327 CO 0.17 0.15 1.25 -0.94 0.23 0.00 0.00 176.35 177.21 1xjg s SER 328 N -1.27 3.69 0.02 2.29 1.04 -1.26 -3.74 113.70 114.47 1xjg s SER 328 Ca 0.08 0.40 -0.33 0.00 0.48 0.00 0.00 55.95 56.58 1xjg s SER 328 Cb -0.09 -0.63 -0.12 0.00 0.10 0.00 0.00 66.02 65.28 1xjg s SER 328 CO 0.02 -2.38 1.82 0.47 0.98 0.00 0.00 173.24 174.15 1xjg n ASP 329 N -3.54 3.55 0.00 7.02 8.00 -1.26 -2.00 116.55 128.32 1xjg n ASP 329 Ca 0.13 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.62 1xjg n ASP 329 Cb 0.60 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1xjg n ASP 329 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1xjg n TYR 330 N 5.86 0.00 -2.55 1.24 4.01 -0.70 -4.94 117.16 120.08 1xjg n TYR 330 Ca 0.20 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.54 1xjg n TYR 330 Cb 0.32 -0.62 -0.05 0.00 -0.31 0.00 0.00 39.34 38.69 1xjg n TYR 330 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1xjg s GLU 331 N -0.48 4.67 0.48 -0.72 2.12 -0.85 -4.07 118.70 119.86 1xjg s GLU 331 Ca 0.00 1.71 0.04 0.00 0.36 0.00 0.00 54.97 57.07 1xjg s GLU 331 Cb 0.00 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 1xjg s GLU 331 CO 0.00 0.24 0.05 0.00 -0.54 0.00 0.00 175.26 175.01 1xjg s ALA 332 N -0.89 3.85 -0.27 6.30 0.00 -1.26 -2.53 121.76 126.96 1xjg s ALA 332 Ca 0.45 -1.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 1xjg s ALA 332 Cb -0.30 -0.03 0.09 0.00 0.00 0.00 0.00 23.12 22.88 1xjg s ALA 332 CO 0.37 -0.09 0.65 0.00 0.00 0.00 0.00 175.76 176.68 1xjg s ASN 334 N 1.98 6.19 0.19 0.00 4.22 -1.26 -2.66 114.94 123.60 1xjg s ASN 334 Ca -0.09 0.19 0.02 0.00 -2.14 0.00 0.00 52.86 50.84 1xjg s ASN 334 Cb -0.07 -1.85 -0.05 0.00 1.28 0.00 0.00 41.25 40.56 1xjg s ASN 334 CO -0.19 0.14 0.02 -0.76 -2.04 0.00 0.00 177.10 174.27 1xjg s LEU 335 N -2.68 2.02 -0.09 3.54 1.43 -1.26 -1.73 118.68 119.91 1xjg s LEU 335 Ca 0.34 -1.21 -0.32 0.00 -1.03 0.00 0.00 54.13 51.90 1xjg s LEU 335 Cb -0.12 -0.03 0.13 0.00 0.03 0.00 0.00 46.19 46.19 1xjg s LEU 335 CO 0.27 -0.60 1.30 -0.83 0.23 0.00 0.00 176.35 176.72 1xjg s GLY 336 N -3.19 -0.39 -0.06 -3.19 0.00 -0.86 0.15 107.32 99.77 1xjg s GLY 336 Ca 0.26 1.02 -0.08 0.00 0.00 0.00 0.00 44.72 45.93 1xjg s GLY 336 CO 0.06 0.26 0.21 -0.56 0.00 0.00 0.00 173.10 173.06 1xjg s SER 337 N -2.74 -0.18 -0.11 1.64 0.01 0.30 -0.53 113.70 112.08 1xjg s SER 337 Ca 0.13 0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.55 1xjg s SER 337 Cb 0.04 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.61 1xjg s SER 337 CO -0.04 -0.14 0.37 -0.63 0.41 0.00 0.00 173.24 173.21 1xjg s ILE 338 N -0.19 5.22 -1.28 1.44 1.01 0.57 -1.41 121.20 126.57 1xjg s ILE 338 Ca -0.03 0.73 -0.19 0.00 0.00 0.00 0.00 60.65 61.17 1xjg s ILE 338 Cb -0.03 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.79 1xjg s ILE 338 CO 0.01 0.41 1.75 -0.62 0.00 0.00 0.00 174.94 176.49 1xjg s ASP 339 N 0.17 6.64 0.63 3.58 2.15 -0.91 -1.00 116.67 127.93 1xjg s ASP 339 Ca 0.21 -2.33 0.27 0.00 0.43 0.00 0.00 52.55 51.14 1xjg s ASP 339 Cb -0.14 -2.58 1.40 0.00 -0.30 0.00 0.00 42.92 41.30 1xjg s ASP 339 CO 0.08 -1.38 1.81 -0.37 -0.17 0.00 0.00 175.17 175.14 1xjg h VAL 340 N 5.69 0.17 -0.75 1.11 -1.51 -1.73 -1.47 116.25 117.76 1xjg h VAL 340 Ca 0.42 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 66.07 1xjg h VAL 340 Cb 0.88 0.56 -0.04 0.00 -2.13 0.00 0.00 31.29 30.56 1xjg h VAL 340 CO 1.43 0.00 0.52 0.00 -1.23 0.00 0.00 177.57 178.29 1xjg h ALA 341 N 1.25 2.44 -0.18 5.19 0.00 -1.71 -2.29 119.26 123.97 1xjg h ALA 341 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xjg h ALA 341 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xjg h ALA 341 CO -0.00 -0.66 0.00 1.63 0.00 0.00 0.00 179.25 180.22 1xjg n LYS 342 N -4.40 1.60 -0.44 0.00 5.02 -0.55 -3.45 118.16 115.93 1xjg n LYS 342 Ca 0.15 -0.92 0.09 0.00 -2.02 0.00 0.00 58.31 55.61 1xjg n LYS 342 Cb 0.70 -1.32 0.30 0.00 -0.02 0.00 0.00 35.03 34.69 1xjg n LYS 342 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xjg n PHE 343 N 0.17 1.09 -2.48 2.13 3.01 -0.86 -4.91 117.46 115.62 1xjg n PHE 343 Ca 0.14 -0.58 -0.43 0.00 1.01 0.00 0.00 57.45 57.59 1xjg n PHE 343 Cb 0.26 -0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 39.58 1xjg n PHE 343 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1xjg s TYR 344 N -1.51 2.74 -0.26 1.38 5.04 -1.22 -1.37 117.35 122.15 1xjg s TYR 344 Ca 0.44 0.86 0.02 0.00 -2.44 0.00 0.00 57.07 55.95 1xjg s TYR 344 Cb 0.27 -4.04 0.07 0.00 0.35 0.00 0.00 41.96 38.60 1xjg s TYR 344 CO 0.24 -1.52 -0.05 1.21 -1.34 0.00 0.00 175.55 174.10 1xjg s ASN 345 N 2.74 4.11 -1.15 4.32 3.04 0.11 -4.94 114.94 123.17 1xjg s ASN 345 Ca 0.54 -1.37 -0.29 0.00 0.04 0.00 0.00 52.86 51.78 1xjg s ASN 345 Cb -0.14 -1.30 0.04 0.00 -1.54 0.00 0.00 41.25 38.31 1xjg s ASN 345 CO 0.25 -0.25 0.67 0.59 -3.04 0.00 0.00 177.10 175.32 1xjg n ASN 346 N 4.58 -4.30 0.00 -4.21 4.13 -1.26 -0.86 115.26 113.34 1xjg n ASN 346 Ca -0.10 -1.24 0.00 0.00 1.68 0.00 0.00 54.58 54.92 1xjg n ASN 346 Cb 0.43 -1.70 0.00 0.00 -1.54 0.00 0.00 39.78 36.97 1xjg n ASN 346 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xjg n GLY 347 N -2.02 0.48 3.02 7.41 0.00 -1.26 -5.03 105.19 107.80 1xjg n GLY 347 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1xjg n GLY 347 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xjg s PHE 348 N -2.06 0.43 -0.21 1.61 0.40 -0.04 -5.03 117.98 113.07 1xjg s PHE 348 Ca 0.00 -0.59 -0.29 0.00 -0.60 0.00 0.00 56.93 55.44 1xjg s PHE 348 Cb 0.00 -0.28 -0.00 0.00 0.51 0.00 0.00 43.02 43.24 1xjg s PHE 348 CO 0.00 -0.18 1.19 0.14 0.70 0.00 0.00 175.22 177.07 1xjg s VAL 349 N -1.79 4.39 -0.75 -0.44 -7.23 -1.26 -0.71 120.40 112.62 1xjg s VAL 349 Ca -0.11 1.67 -0.26 0.00 -1.81 0.00 0.00 61.98 61.47 1xjg s VAL 349 Cb -0.07 -4.14 -0.05 0.00 0.56 0.00 0.00 36.38 32.67 1xjg s VAL 349 CO -0.02 -0.22 2.02 -0.62 -0.31 0.00 0.00 175.10 175.95 1xjg s ASP 350 N 1.84 4.96 0.49 4.85 2.15 -0.47 -4.81 116.67 125.68 1xjg s ASP 350 Ca 0.51 -0.09 0.22 0.00 0.43 0.00 0.00 52.55 53.63 1xjg s ASP 350 Cb -0.18 -2.54 1.26 0.00 -0.30 0.00 0.00 42.92 41.16 1xjg s ASP 350 CO 0.13 -2.78 2.03 -0.07 -0.17 0.00 0.00 175.17 174.32 1xjg h LEU 351 N 18.14 0.00 -0.81 -1.34 3.38 -1.92 -2.32 115.31 130.43 1xjg h LEU 351 Ca -0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1xjg h LEU 351 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1xjg h LEU 351 CO 1.18 0.15 -0.54 -0.08 0.09 0.00 0.00 178.44 179.25 1xjg h GLU 352 N 0.00 0.14 0.00 1.13 4.81 -1.87 -1.67 114.58 117.11 1xjg h GLU 352 Ca -0.00 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 1xjg h GLU 352 Cb 0.35 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1xjg h GLU 352 CO 0.02 0.65 -1.39 0.00 -0.73 0.00 0.00 179.01 177.55 1xjg n ALA 353 N -2.46 2.11 -0.01 2.92 0.00 -1.12 -3.59 120.51 118.37 1xjg n ALA 353 Ca -0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 1xjg n ALA 353 Cb 0.56 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 1xjg n ALA 353 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xjg h LEU 354 N 0.00 0.76 0.42 0.00 5.85 -1.33 -2.74 115.31 118.27 1xjg h LEU 354 Ca -0.13 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 1xjg h LEU 354 Cb 1.44 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1xjg h LEU 354 CO 0.03 1.22 -0.20 -0.61 -0.34 0.00 0.00 178.44 178.54 1xjg h GLN 355 N 0.48 -0.55 -0.49 1.25 4.15 -1.42 -1.54 115.11 116.98 1xjg h GLN 355 Ca -0.02 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.53 1xjg h GLN 355 Cb 1.26 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 29.00 1xjg h GLN 355 CO 0.13 -0.28 0.08 0.93 -1.93 0.00 0.00 178.83 177.75 1xjg h GLU 356 N -0.73 0.20 -0.04 1.69 5.08 -1.61 -0.30 114.58 118.87 1xjg h GLU 356 Ca -0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1xjg h GLU 356 Cb 0.52 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xjg h GLU 356 CO 0.10 0.13 -0.08 1.25 -1.00 0.00 0.00 179.01 179.41 1xjg h LEU 357 N 0.21 0.05 -0.16 1.33 5.85 -1.37 0.31 115.31 121.52 1xjg h LEU 357 Ca 0.25 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1xjg h LEU 357 Cb 0.34 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1xjg h LEU 357 CO -0.34 0.14 -0.08 0.58 -0.34 0.00 0.00 178.44 178.40 1xjg h VAL 358 N 0.06 1.31 -0.37 1.05 2.07 -0.04 0.57 116.25 120.90 1xjg h VAL 358 Ca 0.01 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1xjg h VAL 358 Cb 0.18 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 1xjg h VAL 358 CO 0.01 0.33 -0.49 1.56 0.02 0.00 0.00 177.57 179.00 1xjg h GLN 359 N 0.02 -0.33 -0.76 1.57 4.20 -0.12 0.84 115.11 120.53 1xjg h GLN 359 Ca 0.04 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.83 1xjg h GLN 359 Cb 0.55 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 1xjg h GLN 359 CO 0.02 -0.22 0.44 0.82 -0.67 0.00 0.00 178.83 179.23 1xjg h ILE 360 N -0.35 0.99 -0.41 2.54 2.04 -0.26 -2.89 117.51 119.17 1xjg h ILE 360 Ca 0.06 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 1xjg h ILE 360 Cb 0.52 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1xjg h ILE 360 CO -0.53 0.15 -0.28 0.00 0.00 0.00 0.00 178.15 177.49 1xjg h ALA 361 N 1.38 0.59 0.00 1.87 0.00 0.11 -1.31 119.26 121.90 1xjg h ALA 361 Ca 0.34 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1xjg h ALA 361 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xjg h ALA 361 CO -0.19 0.61 -0.37 0.28 0.00 0.00 0.00 179.25 179.59 1xjg h VAL 362 N 0.73 1.13 0.10 0.00 2.07 -0.84 -0.50 116.25 118.95 1xjg h VAL 362 Ca 0.08 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1xjg h VAL 362 Cb 0.86 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1xjg h VAL 362 CO 0.08 0.36 -0.05 -0.09 0.02 0.00 0.00 177.57 177.89 1xjg h ARG 363 N 0.00 -0.12 -0.97 1.57 2.43 -1.26 -1.31 114.38 114.71 1xjg h ARG 363 Ca -0.00 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 1xjg h ARG 363 Cb 0.70 0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 30.12 1xjg h ARG 363 CO 0.05 0.40 -0.35 0.34 -1.51 0.00 0.00 179.97 178.90 1xjg n PHE 364 N -4.85 0.11 0.07 2.20 -0.00 -0.52 0.58 117.46 115.04 1xjg n PHE 364 Ca -0.08 1.20 -0.04 0.00 -0.00 0.00 0.00 57.45 58.53 1xjg n PHE 364 Cb 0.29 -0.91 0.18 0.00 -0.00 0.00 0.00 39.48 39.03 1xjg n PHE 364 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1xjg h LEU 365 N 0.00 0.34 -0.35 -2.13 3.38 -1.14 -0.78 115.31 114.64 1xjg h LEU 365 Ca 0.37 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1xjg h LEU 365 Cb 0.61 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1xjg h LEU 365 CO -0.98 0.75 -0.04 -0.78 0.09 0.00 0.00 178.44 177.48 1xjg h ASP 366 N 0.26 0.63 -0.76 -0.43 3.58 0.44 -3.15 116.42 117.00 1xjg h ASP 366 Ca 0.02 -0.34 0.09 0.00 0.42 0.00 0.00 57.03 57.23 1xjg h ASP 366 Cb 0.89 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.70 1xjg h ASP 366 CO 0.07 0.82 0.41 0.78 -2.88 0.00 0.00 179.24 178.44 1xjg h ASN 367 N 0.43 0.57 -0.85 2.28 4.21 0.62 -2.69 115.58 120.17 1xjg h ASN 367 Ca 0.09 0.05 0.15 0.00 1.21 0.00 0.00 56.30 57.80 1xjg h ASN 367 Cb 0.52 -0.05 -0.15 0.00 -1.12 0.00 0.00 38.32 37.51 1xjg h ASN 367 CO 0.03 0.33 -0.32 0.58 -1.29 0.00 0.00 177.43 176.75 1xjg h VAL 368 N 0.70 0.08 -0.95 2.81 2.07 -1.11 -0.75 116.25 119.11 1xjg h VAL 368 Ca 0.37 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.04 1xjg h VAL 368 Cb 0.35 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 1xjg h VAL 368 CO -0.25 0.00 0.56 0.40 0.02 0.00 0.00 177.57 178.30 1xjg h ILE 369 N -0.04 0.80 -0.68 4.57 2.04 -1.54 -1.19 117.51 121.46 1xjg h ILE 369 Ca 0.34 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 1xjg h ILE 369 Cb 0.60 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1xjg h ILE 369 CO -0.88 0.15 0.23 0.44 0.00 0.00 0.00 178.15 178.09 1xjg h ASP 370 N 0.81 0.98 -0.35 1.72 3.32 -1.23 -2.81 116.42 118.86 1xjg h ASP 370 Ca 0.51 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1xjg h ASP 370 Cb 0.65 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1xjg h ASP 370 CO -0.33 0.91 0.00 1.33 -1.72 0.00 0.00 179.24 179.44 1xjg n VAL 371 N -4.34 1.29 -3.56 -1.35 0.24 -0.50 -4.96 118.33 105.15 1xjg n VAL 371 Ca 0.05 -0.73 -0.30 0.00 -2.04 0.00 0.00 64.34 61.32 1xjg n VAL 371 Cb 0.21 -0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 32.34 1xjg n VAL 371 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1xjg s ASN 372 N -0.59 6.47 -0.06 -1.34 3.84 -0.92 -4.95 114.94 117.38 1xjg s ASN 372 Ca 0.30 0.62 0.02 0.00 0.21 0.00 0.00 52.86 54.01 1xjg s ASN 372 Cb 0.21 -2.10 0.02 0.00 -0.55 0.00 0.00 41.25 38.82 1xjg s ASN 372 CO 0.12 -0.05 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.59 1xjg s VAL 373 N -1.83 0.96 0.08 -5.21 1.01 -0.79 -5.01 120.40 109.61 1xjg s VAL 373 Ca 0.42 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1xjg s VAL 373 Cb -0.11 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1xjg s VAL 373 CO 0.26 0.32 0.03 -0.36 0.00 0.00 0.00 175.10 175.36 1xjg s PHE 374 N 0.81 3.07 -1.27 5.22 0.40 -1.26 -3.72 117.98 121.24 1xjg s PHE 374 Ca -0.12 0.02 0.19 0.00 -0.60 0.00 0.00 56.93 56.42 1xjg s PHE 374 Cb -0.15 -1.58 0.90 0.00 0.51 0.00 0.00 43.02 42.71 1xjg s PHE 374 CO 0.02 0.50 1.59 -0.35 0.70 0.00 0.00 175.22 177.68 1xjg n PRO 375 N 0.56 0.17 -3.28 0.24 -0.04 -1.26 -4.63 135.00 126.75 1xjg n PRO 375 Ca -0.10 0.13 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1xjg n PRO 375 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 1xjg n PRO 375 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xjg s ILE 376 N -2.73 -0.72 -1.17 0.52 1.01 -1.26 -5.05 121.20 111.81 1xjg s ILE 376 Ca 0.15 -0.12 0.18 0.00 0.00 0.00 0.00 60.65 60.86 1xjg s ILE 376 Cb 0.13 -0.92 0.22 0.00 0.01 0.00 0.00 42.46 41.90 1xjg s ILE 376 CO 0.31 -0.14 1.57 -0.90 0.00 0.00 0.00 174.94 175.77 1xjg n ASP 377 N 5.38 0.00 0.03 3.58 5.68 -1.26 0.02 116.55 129.98 1xjg n ASP 377 Ca -0.01 0.31 0.09 0.00 -0.50 0.00 0.00 54.79 54.68 1xjg n ASP 377 Cb 0.50 -0.42 0.53 0.00 -1.14 0.00 0.00 41.12 40.59 1xjg n ASP 377 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1xjg h LYS 378 N 0.00 0.31 0.04 0.11 1.57 -1.97 0.17 116.57 116.81 1xjg h LYS 378 Ca 0.00 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 1xjg h LYS 378 Cb 0.25 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.52 1xjg h LYS 378 CO 0.00 0.21 -1.07 0.82 -0.57 0.00 0.00 179.45 178.84 1xjg h ILE 379 N 0.32 1.29 -0.34 1.86 2.04 -0.55 -1.86 117.51 120.27 1xjg h ILE 379 Ca 0.17 -2.29 0.06 0.00 1.00 0.00 0.00 64.86 63.79 1xjg h ILE 379 Cb 0.25 2.50 -0.05 0.00 -0.74 0.00 0.00 36.82 38.78 1xjg h ILE 379 CO -0.04 0.70 0.03 0.74 0.00 0.00 0.00 178.15 179.59 1xjg h THR 380 N 0.31 0.79 0.30 -0.27 2.02 -1.35 -0.97 112.91 113.74 1xjg h THR 380 Ca -0.14 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1xjg h THR 380 Cb 1.73 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1xjg h THR 380 CO 0.21 0.02 -0.29 0.50 0.37 0.00 0.00 175.52 176.33 1xjg h LYS 381 N 0.13 -0.56 -0.89 6.66 3.64 -0.66 -1.06 116.57 123.83 1xjg h LYS 381 Ca 0.16 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.75 1xjg h LYS 381 Cb 0.21 0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 31.99 1xjg h LYS 381 CO -0.25 -0.37 -0.25 0.00 -2.27 0.00 0.00 179.45 176.31 1xjg n ALA 382 N -2.57 0.14 -0.10 5.00 0.00 -0.70 -1.11 120.51 121.17 1xjg n ALA 382 Ca -0.07 0.96 -0.12 0.00 0.00 0.00 0.00 53.44 54.21 1xjg n ALA 382 Cb 0.26 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 1xjg n ALA 382 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xjg h VAL 383 N 0.00 1.29 -0.03 0.00 2.07 -0.61 -2.90 116.25 116.06 1xjg h VAL 383 Ca 0.40 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1xjg h VAL 383 Cb 0.62 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1xjg h VAL 383 CO -0.91 0.39 -0.27 0.11 0.02 0.00 0.00 177.57 176.92 1xjg h LYS 384 N 0.39 0.06 -0.24 1.57 1.57 -0.21 0.23 116.57 119.94 1xjg h LYS 384 Ca 0.07 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1xjg h LYS 384 Cb 0.65 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1xjg h LYS 384 CO 0.04 0.32 -0.48 0.93 -0.57 0.00 0.00 179.45 179.70 1xjg h GLU 385 N 0.05 0.64 0.00 3.15 4.39 -0.92 -3.39 114.58 118.50 1xjg h GLU 385 Ca 0.01 -0.37 -0.20 0.00 0.34 0.00 0.00 59.36 59.14 1xjg h GLU 385 Cb 0.50 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1xjg h GLU 385 CO 0.04 0.98 -1.74 0.43 -1.16 0.00 0.00 179.01 177.55 1xjg n SER 386 N -4.00 2.98 -1.94 1.42 7.64 -1.11 -2.06 113.62 116.54 1xjg n SER 386 Ca -0.03 -0.07 -0.20 0.00 1.01 0.00 0.00 58.87 59.58 1xjg n SER 386 Cb 0.57 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 1xjg n SER 386 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xjg n ARG 387 N -2.87 -1.57 -1.67 1.43 1.74 0.79 -1.88 116.66 112.63 1xjg n ARG 387 Ca -0.23 1.09 -0.61 0.00 -0.77 0.00 0.00 57.85 57.33 1xjg n ARG 387 Cb 0.75 -5.59 -0.09 0.00 -1.02 0.00 0.00 32.46 26.51 1xjg n ARG 387 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1xjg n ARG 388 N -2.62 0.66 -3.36 5.56 0.63 -1.26 -4.58 116.66 111.69 1xjg n ARG 388 Ca -0.22 0.24 -0.20 0.00 -0.92 0.00 0.00 57.85 56.75 1xjg n ARG 388 Cb 0.67 -1.87 -0.01 0.00 0.45 0.00 0.00 32.46 31.70 1xjg n ARG 388 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1xjg s LEU 389 N 3.86 3.41 -0.41 6.15 1.43 -0.75 -4.32 118.68 128.04 1xjg s LEU 389 Ca 1.03 -0.68 0.10 0.00 -1.03 0.00 0.00 54.13 53.55 1xjg s LEU 389 Cb -1.24 -2.15 0.31 0.00 0.03 0.00 0.00 46.19 43.14 1xjg s LEU 389 CO 0.70 -0.78 0.68 0.61 0.23 0.00 0.00 176.35 177.79 1xjg n GLY 390 N -1.73 3.62 3.72 -3.19 0.00 -0.71 -3.62 105.19 103.29 1xjg n GLY 390 Ca 0.06 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1xjg n GLY 390 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xjg s LEU 391 N -2.13 4.37 0.00 0.99 0.20 0.11 -2.03 118.68 120.19 1xjg s LEU 391 Ca 0.39 2.22 0.00 0.00 0.69 0.00 0.00 54.13 57.43 1xjg s LEU 391 Cb 0.27 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.45 1xjg s LEU 391 CO -0.09 -0.58 0.00 0.61 -0.29 0.00 0.00 176.35 176.00 1xjg n GLY 392 N 3.35 4.70 3.20 7.98 0.00 0.30 -0.13 105.19 124.60 1xjg n GLY 392 Ca 0.10 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 1xjg n GLY 392 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xjg s ILE 393 N -1.41 0.95 0.28 -0.61 -4.36 -1.26 -0.31 121.20 114.48 1xjg s ILE 393 Ca 0.00 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1xjg s ILE 393 Cb 0.00 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 1xjg s ILE 393 CO 0.00 -0.69 0.16 0.00 0.24 0.00 0.00 174.94 174.64 1xjg s MET 394 N -3.34 1.50 0.00 0.37 0.23 -0.17 -4.00 119.30 113.89 1xjg s MET 394 Ca 0.10 -1.84 0.00 0.00 -1.03 0.00 0.00 55.69 52.93 1xjg s MET 394 Cb 0.01 0.00 0.00 0.00 -1.53 0.00 0.00 34.83 33.31 1xjg s MET 394 CO -0.01 -0.43 0.00 0.41 -2.03 0.00 0.00 175.02 172.96 1xjg n GLY 395 N -0.50 1.07 0.19 3.16 0.00 -0.28 -2.10 105.19 106.72 1xjg n GLY 395 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1xjg n GLY 395 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xjg h PHE 396 N 0.00 -0.08 -0.57 1.61 3.57 -1.82 0.55 116.94 120.20 1xjg h PHE 396 Ca 0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1xjg h PHE 396 Cb 0.00 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1xjg h PHE 396 CO 0.00 -0.13 0.34 0.00 -2.23 0.00 0.00 178.31 176.30 1xjg h ALA 397 N 1.43 0.74 -0.67 2.41 0.00 -1.81 0.83 119.26 122.18 1xjg h ALA 397 Ca 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1xjg h ALA 397 Cb 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1xjg h ALA 397 CO -0.41 0.07 0.26 -0.44 0.00 0.00 0.00 179.25 178.73 1xjg h ASP 398 N 0.68 0.90 -0.65 0.00 3.32 -1.81 -0.05 116.42 118.81 1xjg h ASP 398 Ca 0.23 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1xjg h ASP 398 Cb 0.03 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.29 1xjg h ASP 398 CO -0.10 0.80 0.33 0.25 -1.72 0.00 0.00 179.24 178.81 1xjg h LEU 399 N 0.96 0.47 -0.54 1.55 5.85 -0.32 0.80 115.31 124.08 1xjg h LEU 399 Ca 0.23 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1xjg h LEU 399 Cb 0.19 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1xjg h LEU 399 CO -0.02 0.30 0.21 -0.07 -0.34 0.00 0.00 178.44 178.52 1xjg h LEU 400 N 0.61 0.23 -0.09 2.25 3.38 0.15 -0.71 115.31 121.13 1xjg h LEU 400 Ca 0.30 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.36 1xjg h LEU 400 Cb 0.24 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1xjg h LEU 400 CO -0.21 0.16 -0.53 1.88 0.09 0.00 0.00 178.44 179.82 1xjg h TYR 401 N 0.40 -1.57 -0.94 1.13 -1.99 -0.45 0.24 116.97 113.80 1xjg h TYR 401 Ca 0.26 0.06 0.17 0.00 2.00 0.00 0.00 58.73 61.22 1xjg h TYR 401 Cb 0.27 0.70 -0.08 0.00 2.00 0.00 0.00 36.73 39.62 1xjg h TYR 401 CO -0.15 -0.55 0.60 0.87 -0.00 0.00 0.00 178.16 178.92 1xjg h LYS 402 N -0.61 0.66 -0.01 4.88 1.57 -0.56 -1.38 116.57 121.11 1xjg h LYS 402 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xjg h LYS 402 Cb 0.69 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1xjg h LYS 402 CO -0.41 0.44 -0.01 1.28 -0.57 0.00 0.00 179.45 180.18 1xjg n LEU 403 N -4.61 1.29 -3.45 2.94 4.77 -0.30 -4.91 117.00 112.73 1xjg n LEU 403 Ca 0.20 -0.42 -0.24 0.00 -0.03 0.00 0.00 56.01 55.51 1xjg n LEU 403 Cb 0.54 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1xjg n LEU 403 CO 0.27 0.21 0.16 -0.62 -1.33 0.00 0.00 177.39 176.09 1xjg n GLU 404 N -0.01 -6.80 -3.80 3.23 -0.58 -0.04 -5.00 120.64 107.63 1xjg n GLU 404 Ca 0.19 0.83 -0.36 0.00 -0.42 0.00 0.00 57.16 57.40 1xjg n GLU 404 Cb 0.32 -5.81 -0.12 0.00 -0.57 0.00 0.00 31.44 25.26 1xjg n GLU 404 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xjg s ILE 405 N -3.27 4.48 0.36 -3.67 1.01 -0.52 -4.96 121.20 114.63 1xjg s ILE 405 Ca 0.51 -0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 1xjg s ILE 405 Cb -0.23 -3.08 -0.10 0.00 0.01 0.00 0.00 42.46 39.06 1xjg s ILE 405 CO 0.63 0.35 1.30 -2.84 0.00 0.00 0.00 174.94 174.38 1xjg s PRO 406 N 1.40 4.22 0.20 2.79 0.02 -1.26 -4.45 135.00 137.91 1xjg s PRO 406 Ca 0.05 2.18 -0.09 0.00 0.02 0.00 0.00 61.00 63.16 1xjg s PRO 406 Cb -0.15 -2.95 0.12 0.00 0.02 0.00 0.00 34.50 31.54 1xjg s PRO 406 CO 0.04 -0.29 1.74 -0.92 -0.33 0.00 0.00 177.00 177.24 1xjg h TYR 407 N 3.11 1.14 -1.46 6.54 5.03 -1.83 -3.25 116.97 126.25 1xjg h TYR 407 Ca -0.49 -0.11 -0.76 0.00 2.58 0.00 0.00 58.73 59.95 1xjg h TYR 407 Cb 1.23 -0.33 -0.16 0.00 1.55 0.00 0.00 36.73 39.02 1xjg h TYR 407 CO 0.55 0.90 2.04 0.27 -1.32 0.00 0.00 178.16 180.60 1xjg n ASN 408 N -4.30 6.84 0.03 -2.11 6.94 -1.26 -4.63 115.26 116.78 1xjg n ASN 408 Ca 0.05 -3.20 0.00 0.00 -0.02 0.00 0.00 54.58 51.42 1xjg n ASN 408 Cb 0.22 -1.38 0.00 0.00 -2.36 0.00 0.00 39.78 36.26 1xjg n ASN 408 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1xjg n SER 409 N 2.28 0.10 0.00 0.53 3.41 -1.23 -5.07 113.62 113.65 1xjg n SER 409 Ca 0.50 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1xjg n SER 409 Cb 0.29 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1xjg n SER 409 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1xjg n GLN 410 N -2.94 0.00 -0.23 4.33 -0.06 -1.26 -4.83 117.38 112.38 1xjg n GLN 410 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 1xjg n GLN 410 Cb 0.13 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.29 1xjg n GLN 410 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1xjg h GLU 411 N 0.00 -0.18 -0.62 3.69 4.81 -1.96 -0.38 114.58 119.94 1xjg h GLU 411 Ca 0.00 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1xjg h GLU 411 Cb 0.00 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.33 1xjg h GLU 411 CO 0.00 -0.12 0.15 0.00 -0.73 0.00 0.00 179.01 178.31 1xjg h ALA 412 N 0.72 0.76 -0.22 2.92 0.00 -1.86 0.15 119.26 121.73 1xjg h ALA 412 Ca 0.20 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1xjg h ALA 412 Cb 0.56 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xjg h ALA 412 CO -0.73 -0.29 -0.33 0.00 0.00 0.00 0.00 179.25 177.90 1xjg h ARG 413 N 0.28 0.45 0.06 0.00 3.08 -1.75 0.12 114.38 116.64 1xjg h ARG 413 Ca 0.33 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1xjg h ARG 413 Cb 0.49 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1xjg h ARG 413 CO -0.41 0.73 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.75 1xjg h ASP 414 N 0.39 -0.07 -0.37 7.04 5.19 -0.50 0.22 116.42 128.31 1xjg h ASP 414 Ca 0.05 -0.50 0.07 0.00 -0.62 0.00 0.00 57.03 56.02 1xjg h ASP 414 Cb 0.77 0.02 -0.09 0.00 0.18 0.00 0.00 39.33 40.21 1xjg h ASP 414 CO 0.06 0.50 -0.41 0.15 -3.12 0.00 0.00 179.24 176.42 1xjg h PHE 415 N -0.69 -1.19 -0.69 4.55 3.57 -0.70 0.61 116.94 122.41 1xjg h PHE 415 Ca -0.01 0.06 0.14 0.00 3.53 0.00 0.00 57.97 61.69 1xjg h PHE 415 Cb 0.57 0.57 -0.13 0.00 2.79 0.00 0.00 35.95 39.75 1xjg h PHE 415 CO 0.11 -0.44 -0.18 0.00 -2.23 0.00 0.00 178.31 175.57 1xjg h ALA 416 N 0.43 0.42 -0.44 2.41 0.00 -0.74 0.25 119.26 121.60 1xjg h ALA 416 Ca 0.13 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1xjg h ALA 416 Cb 0.58 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1xjg h ALA 416 CO -0.55 -0.43 -0.07 0.00 0.00 0.00 0.00 179.25 178.20 1xjg h ALA 417 N 1.65 1.06 -0.02 0.00 0.00 0.65 -1.40 119.26 121.19 1xjg h ALA 417 Ca 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xjg h ALA 417 Cb 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xjg h ALA 417 CO -0.71 0.58 -0.01 -0.91 0.00 0.00 0.00 179.25 178.20 1xjg h ASN 418 N 0.70 0.04 -0.13 0.00 2.35 0.16 -0.36 115.58 118.34 1xjg h ASN 418 Ca 0.13 -0.37 0.04 0.00 -0.55 0.00 0.00 56.30 55.55 1xjg h ASN 418 Cb 0.53 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.82 1xjg h ASN 418 CO 0.03 0.41 -0.39 0.25 -1.65 0.00 0.00 177.43 176.08 1xjg h LEU 419 N -0.32 -1.21 -1.21 1.61 6.46 -0.42 -0.51 115.31 119.71 1xjg h LEU 419 Ca 0.01 0.17 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1xjg h LEU 419 Cb 0.39 0.50 -0.05 0.00 -0.73 0.00 0.00 40.66 40.76 1xjg h LEU 419 CO 0.00 -0.41 0.56 -0.03 -0.62 0.00 0.00 178.44 177.94 1xjg h MET 420 N -0.46 0.94 0.23 1.25 4.05 -1.26 -1.12 114.93 118.56 1xjg h MET 420 Ca 0.08 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1xjg h MET 420 Cb 0.60 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1xjg h MET 420 CO -0.39 0.62 -0.11 0.00 0.23 0.00 0.00 176.91 177.27 1xjg h ALA 421 N 1.53 -0.30 -0.67 0.39 0.00 -0.28 0.40 119.26 120.33 1xjg h ALA 421 Ca 0.36 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1xjg h ALA 421 Cb 0.19 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 1xjg h ALA 421 CO -0.13 -0.52 -0.23 0.35 0.00 0.00 0.00 179.25 178.72 1xjg h PHE 422 N -0.60 -0.56 0.04 0.00 3.57 -0.94 0.15 116.94 118.60 1xjg h PHE 422 Ca -0.03 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xjg h PHE 422 Cb 0.44 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1xjg h PHE 422 CO 0.02 -0.33 -0.02 0.82 -2.23 0.00 0.00 178.31 176.57 1xjg h ILE 423 N -0.05 1.14 -0.74 1.41 2.04 -0.95 -1.77 117.51 118.59 1xjg h ILE 423 Ca 0.31 -0.59 0.15 0.00 1.00 0.00 0.00 64.86 65.72 1xjg h ILE 423 Cb 0.53 1.53 -0.14 0.00 -0.74 0.00 0.00 36.82 38.00 1xjg h ILE 423 CO -0.72 0.15 -0.21 0.00 0.00 0.00 0.00 178.15 177.37 1xjg h ALA 424 N 0.62 0.42 0.30 1.87 0.00 0.30 0.37 119.26 123.14 1xjg h ALA 424 Ca -0.01 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xjg h ALA 424 Cb 0.29 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1xjg h ALA 424 CO 0.01 -0.45 -0.49 1.25 0.00 0.00 0.00 179.25 179.57 1xjg h LEU 425 N -0.02 -1.40 -0.92 0.00 5.85 0.14 0.07 115.31 119.03 1xjg h LEU 425 Ca 0.35 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1xjg h LEU 425 Cb 0.55 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1xjg h LEU 425 CO -0.77 -0.58 0.00 0.45 -0.34 0.00 0.00 178.44 177.20 1xjg h HIS 426 N -0.83 0.00 -0.00 1.25 3.86 -1.23 0.37 115.15 118.57 1xjg h HIS 426 Ca -0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1xjg h HIS 426 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1xjg h HIS 426 CO -0.34 0.00 -0.00 0.00 0.86 0.00 0.00 177.93 178.45 1xjg h ALA 427 N 2.06 0.00 0.00 2.45 0.00 -0.44 -2.69 119.26 120.64 1xjg h ALA 427 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1xjg h ALA 427 Cb 0.63 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xjg h ALA 427 CO 0.00 -0.20 -0.48 0.45 0.00 0.00 0.00 179.25 179.02 1xjg h HIS 428 N -0.60 0.00 -0.12 0.00 -0.00 -0.55 -1.25 115.15 112.62 1xjg h HIS 428 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 1xjg h HIS 428 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 1xjg h HIS 428 CO 0.14 0.48 -0.20 -0.09 -0.00 0.00 0.00 177.93 178.26 1xjg h ARG 429 N 0.00 0.21 -0.02 2.45 2.43 -0.97 -0.76 114.38 117.71 1xjg h ARG 429 Ca -0.00 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 1xjg h ARG 429 Cb 0.90 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1xjg h ARG 429 CO 0.06 0.41 -0.64 1.15 -1.51 0.00 0.00 179.97 179.43 1xjg h THR 430 N 0.19 1.39 -0.77 0.20 2.02 -1.04 -1.55 112.91 113.37 1xjg h THR 430 Ca 0.04 -2.05 0.21 0.00 0.77 0.00 0.00 66.41 65.38 1xjg h THR 430 Cb 0.47 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.32 1xjg h THR 430 CO 0.03 0.61 0.54 -1.28 0.37 0.00 0.00 175.52 175.79 1xjg h SER 431 N 0.01 0.09 0.29 4.18 0.87 -0.48 -1.23 113.55 117.27 1xjg h SER 431 Ca -0.07 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1xjg h SER 431 Cb 1.33 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1xjg h SER 431 CO 0.13 0.04 -0.14 0.22 -0.53 0.00 0.00 176.83 176.55 1xjg h TYR 432 N 0.09 -0.36 -0.16 2.24 3.20 -0.83 0.14 116.97 121.29 1xjg h TYR 432 Ca 0.37 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.28 1xjg h TYR 432 Cb 1.35 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 1xjg h TYR 432 CO -0.00 -0.22 0.46 0.93 -1.64 0.00 0.00 178.16 177.69 1xjg h GLU 433 N -0.47 0.00 0.09 1.82 5.08 -0.62 -0.92 114.58 119.56 1xjg h GLU 433 Ca -0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 1xjg h GLU 433 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1xjg h GLU 433 CO 0.06 0.00 -1.87 1.28 -1.00 0.00 0.00 179.01 177.48 1xjg n LEU 434 N -3.10 2.48 0.07 1.33 4.32 -0.53 -2.23 117.00 119.34 1xjg n LEU 434 Ca 0.02 0.24 0.06 0.00 -0.02 0.00 0.00 56.01 56.31 1xjg n LEU 434 Cb 0.55 -1.08 0.30 0.00 -1.62 0.00 0.00 43.42 41.58 1xjg n LEU 434 CO 0.16 0.73 0.69 0.61 -1.22 0.00 0.00 177.39 178.37 1xjg n GLY 435 N 1.88 -0.79 0.04 -0.72 0.00 -0.39 0.32 105.19 105.53 1xjg n GLY 435 Ca -0.33 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1xjg n GLY 435 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xjg n LYS 436 N -1.84 0.27 -0.03 1.61 4.81 -0.98 -2.68 118.16 119.31 1xjg n LYS 436 Ca 0.00 0.28 0.20 0.00 -0.87 0.00 0.00 58.31 57.93 1xjg n LYS 436 Cb 0.07 -1.16 0.68 0.00 0.02 0.00 0.00 35.03 34.64 1xjg n LYS 436 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1xjg h GLU 437 N -0.55 0.03 0.00 1.64 4.81 -1.30 -3.31 114.58 115.90 1xjg h GLU 437 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xjg h GLU 437 Cb 0.40 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1xjg h GLU 437 CO 0.00 0.02 -0.03 1.63 -0.73 0.00 0.00 179.01 179.90 1xjg n LYS 438 N -4.38 4.44 0.00 1.92 5.02 0.15 -4.05 118.16 121.27 1xjg n LYS 438 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1xjg n LYS 438 Cb 0.63 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1xjg n LYS 438 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjg n GLY 439 N 0.70 2.31 3.75 0.72 0.00 -1.09 -4.84 105.19 106.73 1xjg n GLY 439 Ca 0.00 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 1xjg n GLY 439 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjg s ASN 440 N 0.00 5.12 0.17 1.61 0.01 -1.13 -4.53 114.94 116.20 1xjg s ASN 440 Ca 0.00 2.61 -0.33 0.00 -0.71 0.00 0.00 52.86 54.44 1xjg s ASN 440 Cb 0.00 -2.62 -0.12 0.00 0.41 0.00 0.00 41.25 38.92 1xjg s ASN 440 CO 0.00 -1.65 1.70 2.22 -1.51 0.00 0.00 177.10 177.85 1xjg n PHE 441 N -1.36 2.58 -0.22 2.20 -1.74 -0.50 -4.84 117.46 113.58 1xjg n PHE 441 Ca 0.12 0.08 -0.01 0.00 -0.56 0.00 0.00 57.45 57.09 1xjg n PHE 441 Cb 0.47 -2.64 0.02 0.00 1.52 0.00 0.00 39.48 38.85 1xjg n PHE 441 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 1xjg n PRO 442 N 4.09 -0.13 -0.22 3.97 -0.02 -1.22 -1.12 135.00 140.35 1xjg n PRO 442 Ca 0.17 0.87 0.02 0.00 -2.02 0.00 0.00 63.50 62.54 1xjg n PRO 442 Cb 0.33 -1.29 0.11 0.00 -0.02 0.00 0.00 33.50 32.63 1xjg n PRO 442 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xjg n LEU 443 N -4.83 2.03 -0.21 2.45 4.77 -0.88 -4.35 117.00 115.99 1xjg n LEU 443 Ca 0.06 -1.03 -0.11 0.00 -0.03 0.00 0.00 56.01 54.90 1xjg n LEU 443 Cb 0.23 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.79 1xjg n LEU 443 CO -0.08 0.34 0.52 0.25 -1.33 0.00 0.00 177.39 177.09 1xjg h LEU 444 N 1.15 -1.78 -0.75 2.23 5.85 -1.41 -2.92 115.31 117.69 1xjg h LEU 444 Ca 0.00 0.26 0.16 0.00 0.84 0.00 0.00 57.88 59.14 1xjg h LEU 444 Cb 0.76 0.76 -0.14 0.00 0.37 0.00 0.00 40.66 42.42 1xjg h LEU 444 CO 0.10 -0.35 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.45 1xjg h GLU 445 N -0.27 0.05 0.00 1.25 5.08 -1.86 0.47 114.58 119.31 1xjg h GLU 445 Ca 0.13 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xjg h GLU 445 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1xjg h GLU 445 CO -0.69 0.03 0.00 0.44 -1.00 0.00 0.00 179.01 177.80 1xjg n ILE 446 N -5.41 0.00 -3.37 3.13 -5.35 -1.10 -4.34 119.36 102.92 1xjg n ILE 446 Ca 0.12 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.31 1xjg n ILE 446 Cb 0.44 -0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.07 1xjg n ILE 446 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xjg s SER 447 N -1.47 6.46 0.47 7.28 1.04 0.17 -4.84 113.70 122.80 1xjg s SER 447 Ca 0.22 0.71 0.21 0.00 0.48 0.00 0.00 55.95 57.57 1xjg s SER 447 Cb 0.10 -2.14 1.13 0.00 0.10 0.00 0.00 66.02 65.21 1xjg s SER 447 CO 0.17 -0.17 1.58 0.03 0.98 0.00 0.00 173.24 175.83 1xjg h ARG 448 N 1.79 0.00 -0.23 4.02 3.08 -1.20 0.54 114.38 122.38 1xjg h ARG 448 Ca -0.48 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.51 1xjg h ARG 448 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1xjg h ARG 448 CO 0.67 0.00 -0.16 1.88 -1.07 0.00 0.00 179.97 181.28 1xjg h TYR 449 N 0.00 0.41 0.00 3.04 0.05 -1.86 -3.14 116.97 115.48 1xjg h TYR 449 Ca 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1xjg h TYR 449 Cb 0.59 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1xjg h TYR 449 CO 0.00 0.54 -0.41 -2.13 -1.05 0.00 0.00 178.16 175.11 1xjg n ARG 450 N -4.20 0.37 -0.13 4.88 3.00 0.18 -3.86 116.66 116.89 1xjg n ARG 450 Ca -0.00 0.48 0.03 0.00 -0.00 0.00 0.00 57.85 58.36 1xjg n ARG 450 Cb 0.33 -1.53 0.09 0.00 0.00 0.00 0.00 32.46 31.35 1xjg n ARG 450 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1xjg n THR 451 N -4.19 0.36 0.00 5.15 -2.24 -0.80 -4.64 114.28 107.92 1xjg n THR 451 Ca -0.06 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1xjg n THR 451 Cb 0.21 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1xjg n THR 451 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xjg n GLU 452 N 0.08 0.00 0.00 -0.78 -0.58 -1.19 -4.99 120.64 113.19 1xjg n GLU 452 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1xjg n GLU 452 Cb 0.24 -0.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 1xjg n GLU 452 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1xjg n ASP 453 N -2.16 0.00 -2.39 1.62 8.00 -1.26 -4.88 116.55 115.48 1xjg n ASP 453 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1xjg n ASP 453 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1xjg n ASP 453 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xjg n ASN 454 N 0.00 5.93 -4.67 -2.24 3.02 -1.26 -4.90 115.26 111.14 1xjg n ASN 454 Ca 0.00 -3.77 -0.43 0.00 -0.03 0.00 0.00 54.58 50.36 1xjg n ASN 454 Cb 0.00 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.50 1xjg n ASN 454 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xjg s PHE 455 N -3.72 3.32 -0.11 3.10 5.36 -1.26 -5.02 117.98 119.65 1xjg s PHE 455 Ca 0.53 1.44 0.02 0.00 -0.96 0.00 0.00 56.93 57.96 1xjg s PHE 455 Cb 0.43 -3.28 0.01 0.00 -0.34 0.00 0.00 43.02 39.84 1xjg s PHE 455 CO -0.12 -0.60 -0.17 0.08 -1.46 0.00 0.00 175.22 172.95 1xjg s VAL 456 N 2.84 1.63 -1.13 3.12 1.01 -1.26 -4.88 120.40 121.73 1xjg s VAL 456 Ca 0.47 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1xjg s VAL 456 Cb -0.17 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1xjg s VAL 456 CO 0.11 0.47 0.40 -0.81 0.00 0.00 0.00 175.10 175.27 1xjg n PRO 457 N 4.12 0.70 -3.83 2.72 -0.04 -1.26 -4.83 135.00 132.58 1xjg n PRO 457 Ca -0.19 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.20 1xjg n PRO 457 Cb 0.51 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1xjg n PRO 457 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xjg s PHE 458 N -1.13 -0.02 0.11 0.54 -0.12 -1.26 -4.08 117.98 112.03 1xjg s PHE 458 Ca 0.00 -0.52 0.02 0.00 -0.05 0.00 0.00 56.93 56.38 1xjg s PHE 458 Cb 0.00 0.76 -0.19 0.00 -0.63 0.00 0.00 43.02 42.96 1xjg s PHE 458 CO 0.00 -1.30 1.25 0.00 -0.05 0.00 0.00 175.22 175.12 1xjg h ALA 459 N 2.00 0.29 -0.81 1.99 0.00 -1.74 -3.49 119.26 117.51 1xjg h ALA 459 Ca -0.26 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1xjg h ALA 459 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xjg h ALA 459 CO 0.33 1.07 0.00 -1.33 0.00 0.00 0.00 179.25 179.32 1xjg n MET 460 N -3.49 0.00 -0.49 0.00 2.81 0.72 -4.95 117.12 111.72 1xjg n MET 460 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1xjg n MET 460 Cb 0.94 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.45 1xjg n MET 460 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xjg n GLY 461 N 0.00 0.71 0.89 3.03 0.00 -1.26 -4.89 105.19 103.66 1xjg n GLY 461 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.50 1xjg n GLY 461 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xjg n MET 462 N -2.46 0.00 -3.64 1.61 2.81 -1.26 -5.12 117.12 109.06 1xjg n MET 462 Ca 0.00 -1.20 -0.14 0.00 -1.81 0.00 0.00 57.70 54.54 1xjg n MET 462 Cb 0.00 -0.16 -0.07 0.00 -0.71 0.00 0.00 33.22 32.29 1xjg n MET 462 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xjg s SER 463 N -1.20 -0.37 0.45 7.83 0.15 -1.26 -4.49 113.70 114.80 1xjg s SER 463 Ca 0.11 0.22 0.17 0.00 0.70 0.00 0.00 55.95 57.16 1xjg s SER 463 Cb 0.13 0.43 1.03 0.00 -1.71 0.00 0.00 66.02 65.91 1xjg s SER 463 CO -0.06 -0.60 1.96 -0.55 1.20 0.00 0.00 173.24 175.19 1xjg h ASN 464 N 3.20 0.00 0.60 5.45 7.08 -1.97 -3.06 115.58 126.88 1xjg h ASN 464 Ca -0.30 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.92 1xjg h ASN 464 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 1xjg h ASN 464 CO 0.41 0.22 0.00 -1.22 -2.08 0.00 0.00 177.43 174.76 1xjg n TYR 465 N -4.08 0.00 -0.30 4.14 4.01 -1.26 -3.95 117.16 115.72 1xjg n TYR 465 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 1xjg n TYR 465 Cb 0.29 -0.49 0.11 0.00 -0.31 0.00 0.00 39.34 38.93 1xjg n TYR 465 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xjg h ASP 466 N 0.00 -0.79 -0.26 7.72 3.45 -1.95 -0.85 116.42 123.73 1xjg h ASP 466 Ca 0.00 0.25 -0.05 0.00 0.43 0.00 0.00 57.03 57.66 1xjg h ASP 466 Cb 0.30 0.53 -0.01 0.00 -0.56 0.00 0.00 39.33 39.59 1xjg h ASP 466 CO 0.00 -0.28 -0.04 0.44 -1.57 0.00 0.00 179.24 177.79 1xjg h ASP 467 N -0.00 0.50 -0.21 6.45 3.32 -1.87 -1.66 116.42 122.95 1xjg h ASP 467 Ca 0.40 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 57.13 1xjg h ASP 467 Cb 0.62 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1xjg h ASP 467 CO -0.87 0.73 0.14 -0.33 -1.72 0.00 0.00 179.24 177.19 1xjg h GLU 468 N 0.25 0.15 -0.11 3.56 5.08 -1.65 -2.54 114.58 119.32 1xjg h GLU 468 Ca 0.07 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1xjg h GLU 468 Cb 0.50 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xjg h GLU 468 CO 0.02 0.10 -0.02 0.82 -1.00 0.00 0.00 179.01 178.93 1xjg h ILE 469 N 0.15 1.29 -0.36 3.13 2.04 -0.50 -3.19 117.51 120.07 1xjg h ILE 469 Ca 0.09 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.09 1xjg h ILE 469 Cb 0.17 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 1xjg h ILE 469 CO -0.01 0.27 -0.20 0.03 0.00 0.00 0.00 178.15 178.23 1xjg h ARG 470 N -0.09 -0.14 -6.80 2.37 3.08 -0.93 -2.62 114.38 109.23 1xjg h ARG 470 Ca 0.03 0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.57 1xjg h ARG 470 Cb 0.43 0.03 0.05 0.00 0.08 0.00 0.00 29.97 30.56 1xjg h ARG 470 CO 0.01 -0.10 0.64 -2.00 -1.07 0.00 0.00 179.97 177.45 1xjg s GLU 471 N -6.13 4.39 0.00 0.04 2.56 -0.99 -1.49 118.70 117.07 1xjg s GLU 471 Ca -0.14 2.14 0.00 0.00 0.00 0.00 0.00 54.97 56.96 1xjg s GLU 471 Cb 0.14 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 33.15 1xjg s GLU 471 CO 0.69 -0.19 0.00 0.28 -0.56 0.00 0.00 175.26 175.49 1xjg n VAL 472 N 1.50 0.00 0.29 3.70 0.31 -1.26 -4.62 118.33 118.26 1xjg n VAL 472 Ca 0.02 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.53 1xjg n VAL 472 Cb 0.42 0.00 0.86 0.00 -0.91 0.00 0.00 33.84 34.22 1xjg n VAL 472 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1xjg h MET 473 N 0.00 0.00 0.07 5.55 2.86 -1.04 0.31 114.93 122.68 1xjg h MET 473 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xjg h MET 473 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1xjg h MET 473 CO 0.00 0.03 -0.03 0.87 1.06 0.00 0.00 176.91 178.84 1xjg h LYS 474 N 0.00 -0.09 0.00 1.72 1.57 -1.52 -3.28 116.57 114.97 1xjg h LYS 474 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xjg h LYS 474 Cb 0.32 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1xjg h LYS 474 CO 0.00 0.08 0.08 -1.33 -0.57 0.00 0.00 179.45 177.72 1xjg n MET 475 N -4.82 0.00 -0.00 3.15 2.81 -1.07 -0.78 117.12 116.41 1xjg n MET 475 Ca -0.03 0.19 0.10 0.00 -1.81 0.00 0.00 57.70 56.16 1xjg n MET 475 Cb 0.11 -1.58 -0.13 0.00 -0.71 0.00 0.00 33.22 30.91 1xjg n MET 475 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1xjg n THR 476 N -1.12 0.01 0.15 2.03 5.66 0.11 -3.58 114.28 117.53 1xjg n THR 476 Ca 0.00 -0.18 0.08 0.00 -3.05 0.00 0.00 64.05 60.90 1xjg n THR 476 Cb 0.08 0.61 0.45 0.00 -1.55 0.00 0.00 70.33 69.92 1xjg n THR 476 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1xjg n LYS 477 N -1.78 0.11 0.00 1.09 4.81 0.04 -3.76 118.16 118.66 1xjg n LYS 477 Ca 0.01 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1xjg n LYS 477 Cb 0.42 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.46 1xjg n LYS 477 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xjg n GLU 478 N -2.11 2.40 -4.21 1.64 1.02 -1.25 -4.70 120.64 113.43 1xjg n GLU 478 Ca -0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.87 1xjg n GLU 478 Cb 0.17 -0.95 -0.17 0.00 -0.02 0.00 0.00 31.44 30.48 1xjg n GLU 478 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1xjg s PHE 479 N -1.89 1.52 -0.30 -0.32 0.08 -1.24 -4.94 117.98 110.89 1xjg s PHE 479 Ca 0.00 -0.68 -0.08 0.00 0.12 0.00 0.00 56.93 56.28 1xjg s PHE 479 Cb 0.00 -1.18 0.19 0.00 -0.57 0.00 0.00 43.02 41.45 1xjg s PHE 479 CO 0.00 -0.42 0.95 0.50 -0.10 0.00 0.00 175.22 176.15 1xjg s ARG 480 N 1.23 0.25 0.38 0.44 3.52 -1.25 -4.33 118.95 119.19 1xjg s ARG 480 Ca -0.04 0.32 0.10 0.00 -0.13 0.00 0.00 55.73 55.98 1xjg s ARG 480 Cb -0.14 0.16 0.76 0.00 -1.56 0.00 0.00 34.95 34.17 1xjg s ARG 480 CO -0.03 -0.39 1.88 -0.09 -0.81 0.00 0.00 175.30 175.86 1xjg h ARG 481 N 7.65 0.17 -4.16 5.12 9.65 -1.04 -1.32 114.38 130.45 1xjg h ARG 481 Ca -0.10 -0.05 -0.46 0.00 -1.10 0.00 0.00 59.98 58.27 1xjg h ARG 481 Cb 1.18 -0.02 -0.35 0.00 -1.39 0.00 0.00 29.97 29.39 1xjg h ARG 481 CO -0.03 0.38 -0.79 -0.80 2.80 0.00 0.00 179.97 181.53 1xjg s ASN 482 N -6.90 1.49 0.32 -3.80 -0.87 -1.26 -3.53 114.94 100.39 1xjg s ASN 482 Ca -0.05 -0.20 0.10 0.00 -1.57 0.00 0.00 52.86 51.14 1xjg s ASN 482 Cb 0.15 -0.62 0.96 0.00 -0.02 0.00 0.00 41.25 41.72 1xjg s ASN 482 CO 0.73 -0.06 1.64 1.62 -2.57 0.00 0.00 177.10 178.46 1xjg h VAL 483 N 6.13 0.24 -3.73 1.60 3.04 -1.62 -3.44 116.25 118.46 1xjg h VAL 483 Ca -0.32 -0.07 -0.08 0.00 -1.01 0.00 0.00 66.70 65.22 1xjg h VAL 483 Cb 1.15 0.01 -0.10 0.00 -2.01 0.00 0.00 31.29 30.34 1xjg h VAL 483 CO 0.43 0.04 -0.18 0.00 -1.01 0.00 0.00 177.57 176.85 1xjg s ALA 484 N -5.77 -0.17 0.00 3.17 0.00 -1.26 -4.80 121.76 112.92 1xjg s ALA 484 Ca -0.11 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1xjg s ALA 484 Cb 0.29 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.43 1xjg s ALA 484 CO 0.78 -0.78 0.00 1.28 0.00 0.00 0.00 175.76 177.04 1xjg n LEU 485 N -0.33 0.00 -4.35 0.00 4.32 -1.25 -1.80 117.00 113.59 1xjg n LEU 485 Ca -0.04 -0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.72 1xjg n LEU 485 Cb 0.62 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.31 1xjg n LEU 485 CO 0.23 0.00 -0.50 -0.76 -1.22 0.00 0.00 177.39 175.14 1xjg s LEU 486 N -0.24 2.43 0.36 2.23 1.43 -1.24 0.05 118.68 123.70 1xjg s LEU 486 Ca 0.00 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.08 1xjg s LEU 486 Cb 0.00 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.36 1xjg s LEU 486 CO 0.00 0.01 0.80 0.28 0.23 0.00 0.00 176.35 177.67 1xjg s THR 487 N -1.89 0.00 -0.21 5.49 -1.32 0.82 -2.75 115.64 115.77 1xjg s THR 487 Ca 0.16 -0.98 -0.01 0.00 -1.21 0.00 0.00 61.69 59.66 1xjg s THR 487 Cb -0.07 -2.78 0.06 0.00 -1.51 0.00 0.00 72.50 68.21 1xjg s THR 487 CO 0.07 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.84 1xjg s ILE 488 N -2.49 1.07 0.68 5.08 -1.09 -1.13 -3.80 121.20 119.53 1xjg s ILE 488 Ca 0.15 -0.90 -0.11 0.00 -2.23 0.00 0.00 60.65 57.56 1xjg s ILE 488 Cb -0.05 -1.43 -0.00 0.00 -1.58 0.00 0.00 42.46 39.39 1xjg s ILE 488 CO 0.11 -0.13 1.07 0.00 -1.23 0.00 0.00 174.94 174.75 1xjg s ALA 489 N 1.61 2.90 0.19 9.38 0.00 -1.26 -1.83 121.76 132.75 1xjg s ALA 489 Ca -0.03 -0.21 0.29 0.00 0.00 0.00 0.00 51.96 52.00 1xjg s ALA 489 Cb -0.18 -3.06 1.25 0.00 0.00 0.00 0.00 23.12 21.13 1xjg s ALA 489 CO -0.07 -1.03 1.95 -1.00 0.00 0.00 0.00 175.76 175.61 1xjg h PRO 490 N -0.58 0.00 -5.00 0.00 0.14 -1.95 -3.38 132.00 121.24 1xjg h PRO 490 Ca -0.45 0.00 -0.26 0.00 0.14 0.00 0.00 66.00 65.44 1xjg h PRO 490 Cb 1.23 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 32.31 1xjg h PRO 490 CO 0.62 0.11 -0.36 0.25 0.14 0.00 0.00 178.00 178.76 1xjg n THR 491 N -3.30 -0.53 -0.35 1.56 -2.24 -1.26 -3.67 114.28 104.49 1xjg n THR 491 Ca -0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1xjg n THR 491 Cb 0.33 -1.20 0.25 0.00 -2.10 0.00 0.00 70.33 67.61 1xjg n THR 491 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xjg h GLY 492 N -0.42 1.09 0.29 3.38 0.00 -1.98 -2.08 103.07 103.36 1xjg h GLY 492 Ca -0.29 0.21 -0.37 0.00 0.00 0.00 0.00 47.33 46.89 1xjg h GLY 492 CO 0.36 -0.48 -2.12 1.44 0.00 0.00 0.00 176.54 175.75 1xjg n SER 493 N -5.54 2.04 0.20 0.19 7.64 -1.26 -4.23 113.62 112.66 1xjg n SER 493 Ca 0.21 0.13 0.08 0.00 1.01 0.00 0.00 58.87 60.30 1xjg n SER 493 Cb 0.69 -0.73 0.34 0.00 -1.01 0.00 0.00 64.21 63.50 1xjg n SER 493 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1xjg h ILE 494 N -0.17 0.64 0.00 0.44 3.07 -1.92 0.01 117.51 119.58 1xjg h ILE 494 Ca -0.49 -1.39 -0.11 0.00 1.55 0.00 0.00 64.86 64.42 1xjg h ILE 494 Cb 1.87 1.93 -0.02 0.00 -0.27 0.00 0.00 36.82 40.34 1xjg h ILE 494 CO -0.05 0.29 -0.53 0.77 -1.05 0.00 0.00 178.15 177.58 1xjg h SER 495 N 0.00 0.00 0.79 2.16 4.64 -1.61 0.22 113.55 119.75 1xjg h SER 495 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1xjg h SER 495 Cb 0.91 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1xjg h SER 495 CO 0.04 0.53 -0.38 0.78 -0.87 0.00 0.00 176.83 176.92 1xjg h ASN 496 N 0.00 -0.90 -0.91 4.97 -0.26 -1.22 -1.58 115.58 115.68 1xjg h ASN 496 Ca -0.01 0.03 0.26 0.00 -0.56 0.00 0.00 56.30 56.02 1xjg h ASN 496 Cb 1.02 0.23 -0.16 0.00 -1.06 0.00 0.00 38.32 38.35 1xjg h ASN 496 CO 0.07 -0.53 0.16 0.40 -1.06 0.00 0.00 177.43 176.47 1xjg h ILE 497 N -1.27 0.19 0.00 2.81 2.04 -1.15 0.03 117.51 120.16 1xjg h ILE 497 Ca -0.11 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1xjg h ILE 497 Cb 0.81 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1xjg h ILE 497 CO 0.18 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.35 1xjg n ALA 498 N -2.85 2.33 -3.71 1.87 0.00 0.78 -4.85 120.51 114.08 1xjg n ALA 498 Ca 0.22 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 1xjg n ALA 498 Cb 0.74 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.81 1xjg n ALA 498 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xjg n ASP 499 N -1.18 -3.57 -3.82 0.00 8.00 -0.00 -5.00 116.55 110.98 1xjg n ASP 499 Ca 0.15 -0.96 -0.10 0.00 0.71 0.00 0.00 54.79 54.59 1xjg n ASP 499 Cb 0.16 -3.57 -0.05 0.00 -0.02 0.00 0.00 41.12 37.63 1xjg n ASP 499 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xjg s THR 500 N -3.60 0.05 0.93 -3.53 -1.32 -0.75 -5.06 115.64 102.37 1xjg s THR 500 Ca 0.29 -1.01 -0.11 0.00 -1.21 0.00 0.00 61.69 59.64 1xjg s THR 500 Cb -0.09 -1.63 0.15 0.00 -1.51 0.00 0.00 72.50 69.42 1xjg s THR 500 CO 0.85 -0.23 1.09 -0.94 -2.21 0.00 0.00 174.62 173.18 1xjg s SER 501 N -2.90 3.08 -0.12 8.08 1.04 -1.26 -4.50 113.70 117.11 1xjg s SER 501 Ca 0.11 1.63 -0.16 0.00 0.48 0.00 0.00 55.95 58.01 1xjg s SER 501 Cb 0.01 -2.28 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 1xjg s SER 501 CO -0.03 -2.91 0.39 -0.44 0.98 0.00 0.00 173.24 171.23 1xjg s SER 502 N -3.16 6.59 0.25 7.02 0.01 -1.26 -1.13 113.70 122.01 1xjg s SER 502 Ca 0.65 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.60 1xjg s SER 502 Cb -0.20 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1xjg s SER 502 CO 0.58 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.93 1xjg n GLY 503 N 3.13 2.59 1.00 3.44 0.00 -1.24 -0.55 105.19 113.55 1xjg n GLY 503 Ca -0.10 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1xjg n GLY 503 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xjg n LEU 504 N 0.00 3.34 -4.78 0.99 -0.00 -1.26 -3.73 117.00 111.56 1xjg n LEU 504 Ca 0.00 -1.78 -0.36 0.00 -0.00 0.00 0.00 56.01 53.86 1xjg n LEU 504 Cb 0.00 -0.30 -0.02 0.00 -0.00 0.00 0.00 43.42 43.10 1xjg n LEU 504 CO 0.00 0.79 0.78 -1.61 -0.00 0.00 0.00 177.39 177.36 1xjg s GLU 505 N -1.12 3.81 0.70 1.47 0.41 0.28 -4.74 118.70 119.53 1xjg s GLU 505 Ca 0.35 1.63 -0.14 0.00 -0.41 0.00 0.00 54.97 56.41 1xjg s GLU 505 Cb 0.19 -2.35 0.02 0.00 -1.78 0.00 0.00 34.13 30.22 1xjg s GLU 505 CO 0.26 -0.47 1.11 -1.25 -0.49 0.00 0.00 175.26 174.42 1xjg s PRO 506 N -2.79 2.55 0.31 0.39 0.04 -1.26 -4.17 135.00 130.07 1xjg s PRO 506 Ca 0.64 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1xjg s PRO 506 Cb -0.25 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 1xjg s PRO 506 CO 0.30 -1.44 1.54 -0.80 0.04 0.00 0.00 177.00 176.64 1xjg s ASN 507 N -2.78 6.41 0.04 6.66 0.01 -1.26 -4.69 114.94 119.33 1xjg s ASN 507 Ca 0.66 2.93 -0.19 0.00 -0.71 0.00 0.00 52.86 55.55 1xjg s ASN 507 Cb -0.20 -2.64 -0.15 0.00 0.41 0.00 0.00 41.25 38.66 1xjg s ASN 507 CO 0.46 -0.86 1.29 0.15 -1.51 0.00 0.00 177.10 176.63 1xjg h PHE 508 N 4.31 0.58 -3.30 2.20 3.04 -1.95 -2.58 116.94 119.25 1xjg h PHE 508 Ca -0.48 -0.21 -0.38 0.00 3.98 0.00 0.00 57.97 60.88 1xjg h PHE 508 Cb 1.23 -0.11 -0.15 0.00 2.56 0.00 0.00 35.95 39.47 1xjg h PHE 508 CO 0.57 0.93 -0.73 -0.51 -2.02 0.00 0.00 178.31 176.55 1xjg s LEU 509 N -8.85 2.51 -0.08 0.59 1.43 -1.26 -4.16 118.68 108.86 1xjg s LEU 509 Ca -0.13 -0.96 0.14 0.00 -1.03 0.00 0.00 54.13 52.14 1xjg s LEU 509 Cb 0.06 -0.48 -0.24 0.00 0.03 0.00 0.00 46.19 45.56 1xjg s LEU 509 CO 0.79 -0.24 0.51 0.18 0.23 0.00 0.00 176.35 177.82 1xjg n LEU 510 N -0.06 0.70 -3.82 1.79 4.77 -1.26 -4.93 117.00 114.19 1xjg n LEU 510 Ca -0.11 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 1xjg n LEU 510 Cb 0.60 0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.77 1xjg n LEU 510 CO 0.32 0.42 -0.29 0.00 -1.33 0.00 0.00 177.39 176.51 1xjg s ALA 511 N -2.57 -0.14 0.34 -1.18 0.00 -1.26 0.07 121.76 117.03 1xjg s ALA 511 Ca -0.06 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 1xjg s ALA 511 Cb 0.07 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1xjg s ALA 511 CO 0.82 -0.06 0.51 1.52 0.00 0.00 0.00 175.76 178.55 1xjg s TYR 512 N 0.40 0.93 -0.34 0.00 -0.85 -0.61 -4.68 117.35 112.20 1xjg s TYR 512 Ca -0.03 -1.22 -0.04 0.00 -0.52 0.00 0.00 57.07 55.26 1xjg s TYR 512 Cb -0.04 0.03 0.06 0.00 0.38 0.00 0.00 41.96 42.39 1xjg s TYR 512 CO -0.01 -1.18 0.09 0.99 -1.52 0.00 0.00 175.55 173.92 1xjg s THR 513 N -3.01 3.40 0.40 -3.49 2.01 -1.26 -0.14 115.64 113.55 1xjg s THR 513 Ca 0.28 -1.42 -0.24 0.00 0.31 0.00 0.00 61.69 60.63 1xjg s THR 513 Cb -0.01 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.38 1xjg s THR 513 CO 0.19 -0.27 1.03 -0.13 -0.69 0.00 0.00 174.62 174.75 1xjg s ARG 514 N 1.30 4.19 -0.16 4.92 3.00 -0.72 -4.96 118.95 126.52 1xjg s ARG 514 Ca -0.01 1.45 -0.03 0.00 0.00 0.00 0.00 55.73 57.14 1xjg s ARG 514 Cb -0.20 -2.51 -0.02 0.00 0.00 0.00 0.00 34.95 32.21 1xjg s ARG 514 CO -0.00 -0.10 -0.06 -0.06 0.00 0.00 0.00 175.30 175.07 1xjg s PHE 515 N -1.72 2.95 0.26 -0.53 0.40 -1.26 -2.15 117.98 115.93 1xjg s PHE 515 Ca 0.58 -0.49 -0.02 0.00 -0.60 0.00 0.00 56.93 56.39 1xjg s PHE 515 Cb -0.20 -1.95 0.44 0.00 0.51 0.00 0.00 43.02 41.82 1xjg s PHE 515 CO 0.25 -0.17 1.84 -0.39 0.70 0.00 0.00 175.22 177.46 1xjg h VAL 516 N 5.31 0.98 -6.28 -0.44 -1.51 -1.93 -3.44 116.25 108.93 1xjg h VAL 516 Ca -0.31 -0.34 -0.31 0.00 -1.23 0.00 0.00 66.70 64.51 1xjg h VAL 516 Cb 1.19 -0.09 0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1xjg h VAL 516 CO 0.60 0.18 -1.03 0.35 -1.23 0.00 0.00 177.57 176.44 1xjg n THR 517 N -4.63 -5.53 -3.90 7.19 -2.24 -1.26 -4.97 114.28 98.94 1xjg n THR 517 Ca 0.15 0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.89 1xjg n THR 517 Cb 0.26 -4.36 -0.17 0.00 -2.10 0.00 0.00 70.33 63.96 1xjg n THR 517 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xjg s LYS 523 N -2.71 1.50 -0.07 -0.78 1.02 -1.26 -5.25 119.74 112.18 1xjg s LYS 523 Ca 0.32 -0.42 -0.08 0.00 0.02 0.00 0.00 55.97 55.80 1xjg s LYS 523 Cb -0.04 -1.86 0.02 0.00 -0.52 0.00 0.00 37.83 35.43 1xjg s LYS 523 CO 0.85 -0.36 0.23 -2.00 -0.92 0.00 0.00 175.35 173.15 1xjg s GLU 524 N 1.65 0.32 -0.78 1.68 2.12 -1.26 -5.10 118.70 117.33 1xjg s GLU 524 Ca 0.02 0.21 -0.24 0.00 0.36 0.00 0.00 54.97 55.33 1xjg s GLU 524 Cb -0.14 0.15 -0.16 0.00 0.26 0.00 0.00 34.13 34.24 1xjg s GLU 524 CO -0.08 -0.05 2.39 -2.30 -0.54 0.00 0.00 175.26 174.68 1xjg n PRO 525 N 2.68 0.53 -3.29 4.30 -0.02 -1.26 -2.92 135.00 135.01 1xjg n PRO 525 Ca -0.14 -0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 60.32 1xjg n PRO 525 Cb 0.58 -3.20 -0.07 0.00 -0.02 0.00 0.00 33.50 30.79 1xjg n PRO 525 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xjg s LEU 526 N 12.14 5.34 -0.63 2.45 1.43 -0.91 -5.05 118.68 133.44 1xjg s LEU 526 Ca 1.01 -1.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.75 1xjg s LEU 526 Cb -0.28 -2.29 0.08 0.00 0.03 0.00 0.00 46.19 43.73 1xjg s LEU 526 CO 0.19 -0.75 0.87 -0.22 0.23 0.00 0.00 176.35 176.68 1xjg s LEU 527 N 2.06 4.72 -0.07 1.79 0.20 -1.26 -1.76 118.68 124.36 1xjg s LEU 527 Ca 0.09 -1.12 -0.22 0.00 0.69 0.00 0.00 54.13 53.57 1xjg s LEU 527 Cb -0.22 -2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 43.11 1xjg s LEU 527 CO 0.09 -1.32 0.63 -0.47 -0.29 0.00 0.00 176.35 174.99 1xjg s TYR 528 N 3.58 3.57 0.03 5.38 5.04 0.80 -4.96 117.35 130.79 1xjg s TYR 528 Ca 0.19 1.14 0.07 0.00 -2.44 0.00 0.00 57.07 56.03 1xjg s TYR 528 Cb -0.19 -2.71 -0.03 0.00 0.35 0.00 0.00 41.96 39.38 1xjg s TYR 528 CO 0.09 0.14 -0.19 0.08 -1.34 0.00 0.00 175.55 174.33 1xjg s VAL 529 N 0.63 2.69 0.14 3.14 1.01 -1.26 -1.57 120.40 125.17 1xjg s VAL 529 Ca 0.34 -1.18 -0.35 0.00 0.00 0.00 0.00 61.98 60.79 1xjg s VAL 529 Cb -0.17 -2.11 -0.15 0.00 0.00 0.00 0.00 36.38 33.96 1xjg s VAL 529 CO 0.16 0.37 1.51 -3.20 0.00 0.00 0.00 175.10 173.94 1xjg n ASN 530 N 1.67 2.65 -0.10 3.32 2.85 0.11 -4.87 115.26 120.89 1xjg n ASN 530 Ca -0.16 1.09 -0.05 0.00 -0.11 0.00 0.00 54.58 55.35 1xjg n ASN 530 Cb 0.52 -1.35 0.01 0.00 1.24 0.00 0.00 39.78 40.20 1xjg n ASN 530 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1xjg h GLN 531 N 5.53 0.04 -0.71 1.20 5.75 -1.98 -1.67 115.11 123.27 1xjg h GLN 531 Ca -0.46 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 57.99 1xjg h GLN 531 Cb 1.28 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.79 1xjg h GLN 531 CO 0.85 0.03 0.25 0.28 -2.65 0.00 0.00 178.83 177.59 1xjg h VAL 532 N 0.04 1.25 -0.01 2.39 2.07 -1.96 0.23 116.25 120.26 1xjg h VAL 532 Ca 0.17 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1xjg h VAL 532 Cb 0.26 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1xjg h VAL 532 CO -0.34 0.33 -0.17 0.25 0.02 0.00 0.00 177.57 177.66 1xjg h LEU 533 N 1.04 -0.50 -0.66 2.57 5.85 -1.80 -1.83 115.31 119.97 1xjg h LEU 533 Ca 0.23 0.08 0.13 0.00 0.84 0.00 0.00 57.88 59.16 1xjg h LEU 533 Cb 0.25 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 41.37 1xjg h LEU 533 CO -0.01 -0.23 -0.17 0.03 -0.34 0.00 0.00 178.44 177.71 1xjg h ARG 534 N -0.27 -0.01 0.00 1.25 3.08 -0.75 -0.78 114.38 116.90 1xjg h ARG 534 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1xjg h ARG 534 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1xjg h ARG 534 CO -0.17 -0.01 0.00 0.39 -1.07 0.00 0.00 179.97 179.11 1xjg n GLU 535 N -5.45 0.62 0.08 0.04 1.02 0.02 -4.13 120.64 112.84 1xjg n GLU 535 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1xjg n GLU 535 Cb 0.34 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1xjg n GLU 535 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xjg n LYS 536 N -0.73 0.00 -2.39 3.49 4.76 -0.96 -5.05 118.16 117.28 1xjg n LYS 536 Ca 0.07 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.13 1xjg n LYS 536 Cb 0.03 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.19 1xjg n LYS 536 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xjg s LEU 537 N -6.03 4.23 0.14 -0.35 2.96 -0.34 -4.98 118.68 114.31 1xjg s LEU 537 Ca 0.00 2.25 -0.32 0.00 -0.22 0.00 0.00 54.13 55.84 1xjg s LEU 537 Cb 0.00 -4.01 -0.12 0.00 0.50 0.00 0.00 46.19 42.56 1xjg s LEU 537 CO 0.00 -0.54 1.74 -3.20 -1.32 0.00 0.00 176.35 173.02 1xjg n ASN 538 N 0.21 3.71 -0.10 3.68 2.85 -1.26 -4.78 115.26 119.56 1xjg n ASN 538 Ca 0.04 1.03 0.12 0.00 -0.11 0.00 0.00 54.58 55.66 1xjg n ASN 538 Cb 0.47 -1.50 0.49 0.00 1.24 0.00 0.00 39.78 40.48 1xjg n ASN 538 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1xjg h PRO 539 N 7.36 0.42 0.53 1.20 0.11 -1.94 -1.90 132.00 137.78 1xjg h PRO 539 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1xjg h PRO 539 Cb 1.23 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.25 1xjg h PRO 539 CO 0.93 0.28 -0.26 1.49 -0.21 0.00 0.00 178.00 180.24 1xjg h GLU 540 N 0.43 -0.69 -0.94 1.05 4.81 -2.01 -2.99 114.58 114.24 1xjg h GLU 540 Ca 0.29 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.69 1xjg h GLU 540 Cb 0.56 0.16 -0.13 0.00 0.63 0.00 0.00 28.75 29.96 1xjg h GLU 540 CO -0.08 -0.41 -0.45 -0.89 -0.73 0.00 0.00 179.01 176.44 1xjg n ILE 541 N -5.26 -0.56 -0.25 2.32 5.41 -1.08 -1.33 119.36 118.59 1xjg n ILE 541 Ca -0.10 2.23 0.03 0.00 1.00 0.00 0.00 62.75 65.91 1xjg n ILE 541 Cb 0.31 -2.86 0.11 0.00 -0.71 0.00 0.00 39.64 36.48 1xjg n ILE 541 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1xjg h LEU 542 N 0.00 -0.58 -0.54 1.39 7.12 -1.38 -0.71 115.31 120.60 1xjg h LEU 542 Ca 0.25 0.21 -0.12 0.00 0.13 0.00 0.00 57.88 58.35 1xjg h LEU 542 Cb 0.48 0.42 -0.02 0.00 -0.53 0.00 0.00 40.66 41.02 1xjg h LEU 542 CO -0.91 -0.23 -0.13 0.50 -0.13 0.00 0.00 178.44 177.54 1xjg h LYS 543 N 0.03 1.03 0.01 1.25 3.64 -1.06 0.59 116.57 122.07 1xjg h LYS 543 Ca 0.37 -0.40 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xjg h LYS 543 Cb 0.60 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1xjg h LYS 543 CO -0.73 1.09 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.44 1xjg h ARG 544 N 0.91 -0.02 0.00 1.90 2.43 -1.09 -3.30 114.38 115.21 1xjg h ARG 544 Ca 0.13 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1xjg h ARG 544 Cb 0.71 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1xjg h ARG 544 CO 0.05 -0.01 -0.21 -0.84 -1.51 0.00 0.00 179.97 177.45 1xjg h ILE 545 N -0.02 1.14 -0.14 1.20 3.07 -0.91 -3.38 117.51 118.48 1xjg h ILE 545 Ca -0.00 -0.74 0.01 0.00 1.55 0.00 0.00 64.86 65.68 1xjg h ILE 545 Cb 0.02 1.40 -0.02 0.00 -0.27 0.00 0.00 36.82 37.95 1xjg h ILE 545 CO -0.00 0.21 -0.08 -0.62 -1.05 0.00 0.00 178.15 176.61 1xjg n GLU 546 N -4.27 -0.06 -0.27 0.16 1.02 0.21 -0.64 120.64 116.79 1xjg n GLU 546 Ca -0.02 0.50 0.06 0.00 -0.02 0.00 0.00 57.16 57.68 1xjg n GLU 546 Cb 0.27 -0.75 0.20 0.00 -0.02 0.00 0.00 31.44 31.14 1xjg n GLU 546 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1xjg h LYS 547 N 0.00 0.48 -0.52 3.49 -0.00 -1.82 -1.22 116.57 116.99 1xjg h LYS 547 Ca 0.02 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.65 60.55 1xjg h LYS 547 Cb 0.06 -0.11 -0.02 0.00 -0.00 0.00 0.00 32.23 32.16 1xjg h LYS 547 CO -0.13 0.32 -0.05 1.49 -0.00 0.00 0.00 179.45 181.08 1xjg h GLU 548 N 0.50 0.95 -0.78 0.07 4.81 -1.15 -1.75 114.58 117.22 1xjg h GLU 548 Ca 0.43 -0.33 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1xjg h GLU 548 Cb 0.64 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 1xjg h GLU 548 CO -0.39 0.99 0.47 1.25 -0.73 0.00 0.00 179.01 180.60 1xjg h LEU 549 N 0.81 0.73 -0.90 1.64 5.85 -0.13 0.12 115.31 123.43 1xjg h LEU 549 Ca 0.14 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1xjg h LEU 549 Cb 0.59 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1xjg h LEU 549 CO 0.04 0.47 -0.11 0.40 -0.34 0.00 0.00 178.44 178.90 1xjg h ILE 550 N 0.86 0.23 0.19 4.05 2.04 -1.14 0.31 117.51 124.05 1xjg h ILE 550 Ca 0.34 -0.94 -0.34 0.00 1.00 0.00 0.00 64.86 64.92 1xjg h ILE 550 Cb 0.17 1.77 0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1xjg h ILE 550 CO -0.17 0.10 -1.67 1.05 0.00 0.00 0.00 178.15 177.46 1xjg h GLU 551 N 0.00 0.40 0.00 2.37 4.11 -0.39 -3.37 114.58 117.70 1xjg h GLU 551 Ca -0.00 -0.69 0.00 0.00 0.07 0.00 0.00 59.36 58.74 1xjg h GLU 551 Cb 0.76 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1xjg h GLU 551 CO 0.01 1.31 -1.15 1.63 0.07 0.00 0.00 179.01 180.89 1xjg n LYS 552 N -3.59 0.47 -1.25 1.06 5.02 -0.06 -4.98 118.16 114.82 1xjg n LYS 552 Ca -0.22 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.00 1xjg n LYS 552 Cb 1.08 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 34.37 1xjg n LYS 552 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjg n GLY 553 N 1.28 0.86 3.37 0.72 0.00 0.11 -4.94 105.19 106.58 1xjg n GLY 553 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1xjg n GLY 553 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xjg s SER 554 N -2.37 -0.00 0.08 1.61 0.15 -1.24 -4.73 113.70 107.20 1xjg s SER 554 Ca 0.00 -0.81 0.19 0.00 0.70 0.00 0.00 55.95 56.03 1xjg s SER 554 Cb 0.00 0.46 -0.12 0.00 -1.71 0.00 0.00 66.02 64.65 1xjg s SER 554 CO 0.00 -0.92 0.83 0.18 1.20 0.00 0.00 173.24 174.53 1xjg n LEU 555 N -0.23 0.76 0.29 3.45 4.77 -1.26 -4.67 117.00 120.12 1xjg n LEU 555 Ca -0.08 0.32 0.15 0.00 -0.03 0.00 0.00 56.01 56.38 1xjg n LEU 555 Cb 0.63 0.05 0.90 0.00 -2.33 0.00 0.00 43.42 42.67 1xjg n LEU 555 CO 0.23 0.06 1.10 0.07 -1.33 0.00 0.00 177.39 177.52 1xjg h LYS 556 N 0.00 0.00 -0.45 3.23 2.10 -1.94 -1.50 116.57 118.01 1xjg h LYS 556 Ca -0.12 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.34 1xjg h LYS 556 Cb 1.42 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.63 1xjg h LYS 556 CO 0.03 0.03 0.07 -0.25 -2.00 0.00 0.00 179.45 177.33 1xjg n ASP 557 N -3.72 3.22 -4.54 7.07 8.00 -1.26 -4.96 116.55 120.37 1xjg n ASP 557 Ca -0.03 -3.51 -0.36 0.00 0.71 0.00 0.00 54.79 51.60 1xjg n ASP 557 Cb 0.12 -0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 40.45 1xjg n ASP 557 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xjg s ILE 558 N -3.13 4.70 0.45 0.53 1.01 -0.57 -5.07 121.20 119.13 1xjg s ILE 558 Ca 0.47 -0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.83 1xjg s ILE 558 Cb 0.40 -3.18 -0.08 0.00 0.01 0.00 0.00 42.46 39.61 1xjg s ILE 558 CO 0.05 0.35 1.32 -2.16 0.00 0.00 0.00 174.94 174.50 1xjg s PRO 559 N 1.28 3.71 0.00 2.79 0.04 -1.26 -3.76 135.00 137.79 1xjg s PRO 559 Ca 0.05 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1xjg s PRO 559 Cb -0.15 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1xjg s PRO 559 CO 0.04 -0.71 0.00 -0.25 0.04 0.00 0.00 177.00 176.12 1xjg n ASP 560 N -0.27 -1.05 -4.68 6.66 8.00 -1.26 -5.01 116.55 118.94 1xjg n ASP 560 Ca 0.06 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.17 1xjg n ASP 560 Cb 0.44 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1xjg n ASP 560 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xjg s VAL 561 N -3.24 5.08 0.81 2.53 1.01 -1.25 -5.06 120.40 120.29 1xjg s VAL 561 Ca 0.00 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 1xjg s VAL 561 Cb 0.00 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.56 1xjg s VAL 561 CO 0.00 0.19 1.12 -2.84 0.00 0.00 0.00 175.10 173.57 1xjg s PRO 562 N 1.42 1.86 0.06 2.72 0.02 -1.26 -4.84 135.00 134.98 1xjg s PRO 562 Ca 0.28 1.36 -0.35 0.00 0.02 0.00 0.00 61.00 62.30 1xjg s PRO 562 Cb -0.16 -1.84 -0.20 0.00 0.02 0.00 0.00 34.50 32.33 1xjg s PRO 562 CO 0.11 -1.97 1.54 0.93 -0.33 0.00 0.00 177.00 177.28 1xjg h GLU 563 N -1.25 -1.11 -0.46 5.54 4.39 -1.99 -2.44 114.58 117.26 1xjg h GLU 563 Ca -0.44 0.08 0.18 0.00 0.34 0.00 0.00 59.36 59.51 1xjg h GLU 563 Cb 1.25 0.25 -0.08 0.00 -0.10 0.00 0.00 28.75 30.07 1xjg h GLU 563 CO 0.48 -0.73 0.19 1.63 -1.16 0.00 0.00 179.01 179.41 1xjg n LYS 564 N -5.57 -0.03 0.01 2.33 5.02 -1.26 -0.61 118.16 118.04 1xjg n LYS 564 Ca -0.15 0.65 -0.20 0.00 -2.02 0.00 0.00 58.31 56.59 1xjg n LYS 564 Cb 0.46 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 34.20 1xjg n LYS 564 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xjg h ILE 565 N 0.00 0.67 -0.45 -0.18 2.04 -1.82 -2.00 117.51 115.77 1xjg h ILE 565 Ca 0.36 -2.40 -0.08 0.00 1.00 0.00 0.00 64.86 63.74 1xjg h ILE 565 Cb 0.92 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 1xjg h ILE 565 CO -0.38 0.85 -0.05 0.11 0.00 0.00 0.00 178.15 178.69 1xjg h LYS 566 N 0.07 0.83 -0.74 2.37 1.57 -0.57 -0.39 116.57 119.70 1xjg h LYS 566 Ca -0.40 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.03 1xjg h LYS 566 Cb 2.04 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 34.25 1xjg h LYS 566 CO 0.09 0.91 0.22 0.87 -0.57 0.00 0.00 179.45 180.97 1xjg h LYS 567 N 0.67 1.15 -0.01 3.15 1.57 -0.96 -3.30 116.57 118.84 1xjg h LYS 567 Ca 0.12 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1xjg h LYS 567 Cb 0.56 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1xjg h LYS 567 CO 0.03 0.98 -0.04 0.28 -0.57 0.00 0.00 179.45 180.14 1xjg h VAL 568 N 1.10 1.50 -1.43 0.50 2.07 -1.22 -3.37 116.25 115.40 1xjg h VAL 568 Ca 0.24 -1.53 -0.70 0.00 0.82 0.00 0.00 66.70 65.53 1xjg h VAL 568 Cb 0.32 2.51 -0.18 0.00 -1.52 0.00 0.00 31.29 32.42 1xjg h VAL 568 CO -0.01 0.40 1.53 0.49 0.02 0.00 0.00 177.57 180.00 1xjg n PHE 569 N -4.74 2.42 -2.25 1.57 3.01 -0.17 -4.52 117.46 112.78 1xjg n PHE 569 Ca -0.09 -2.51 -0.37 0.00 1.01 0.00 0.00 57.45 55.49 1xjg n PHE 569 Cb 0.34 -1.54 -0.01 0.00 -0.01 0.00 0.00 39.48 38.26 1xjg n PHE 569 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1xjg s VAL 570 N -2.42 3.09 0.50 -4.37 -7.23 -1.25 -4.73 120.40 104.00 1xjg s VAL 570 Ca 0.52 0.80 0.06 0.00 -1.81 0.00 0.00 61.98 61.55 1xjg s VAL 570 Cb 0.26 -3.40 0.01 0.00 0.56 0.00 0.00 36.38 33.81 1xjg s VAL 570 CO -0.16 -0.02 0.33 0.68 -0.31 0.00 0.00 175.10 175.61 1xjg s VAL 571 N -1.56 1.89 0.15 1.32 -7.23 -1.26 -4.65 120.40 109.06 1xjg s VAL 571 Ca 0.65 -1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 59.11 1xjg s VAL 571 Cb -0.28 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.24 1xjg s VAL 571 CO 0.34 0.00 1.74 0.00 -0.31 0.00 0.00 175.10 176.88 1xjg h ALA 572 N 0.96 0.39 0.00 1.32 0.00 -1.62 0.22 119.26 120.53 1xjg h ALA 572 Ca -0.39 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1xjg h ALA 572 Cb 1.29 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xjg h ALA 572 CO 0.61 -0.29 -0.14 -0.07 0.00 0.00 0.00 179.25 179.36 1xjg h LEU 573 N 0.24 0.00 -1.06 0.00 3.38 -1.88 -0.02 115.31 115.98 1xjg h LEU 573 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xjg h LEU 573 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1xjg h LEU 573 CO -0.18 0.14 0.00 0.44 0.09 0.00 0.00 178.44 178.93 1xjg h ASP 574 N 0.00 0.00 -3.45 -0.43 3.32 -1.35 -3.43 116.42 111.07 1xjg h ASP 574 Ca -0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1xjg h ASP 574 Cb 0.56 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.91 1xjg h ASP 574 CO 0.02 0.00 -0.62 -0.63 -1.72 0.00 0.00 179.24 176.29 1xjg s ILE 575 N -3.46 4.31 0.61 0.35 1.01 -0.02 -4.92 121.20 119.09 1xjg s ILE 575 Ca 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 1xjg s ILE 575 Cb 0.09 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1xjg s ILE 575 CO 0.40 0.41 1.03 1.51 0.00 0.00 0.00 174.94 178.30 1xjg s ASP 576 N 0.95 6.12 0.22 3.58 1.47 -1.26 -4.80 116.67 122.94 1xjg s ASP 576 Ca 0.03 1.52 -0.13 0.00 1.18 0.00 0.00 52.55 55.15 1xjg s ASP 576 Cb -0.14 -2.49 0.27 0.00 -0.34 0.00 0.00 42.92 40.22 1xjg s ASP 576 CO 0.02 -0.94 1.62 -0.65 0.68 0.00 0.00 175.17 175.90 1xjg h PRO 577 N -0.09 0.01 -0.54 2.11 0.11 -1.94 -1.16 132.00 130.50 1xjg h PRO 577 Ca -0.45 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.77 1xjg h PRO 577 Cb 1.19 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1xjg h PRO 577 CO 0.61 0.01 0.37 1.98 -0.21 0.00 0.00 178.00 180.75 1xjg h MET 578 N 0.01 0.28 0.12 1.05 4.05 -1.92 0.12 114.93 118.65 1xjg h MET 578 Ca 0.32 -0.02 -0.27 0.00 -0.28 0.00 0.00 59.70 59.45 1xjg h MET 578 Cb 0.50 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1xjg h MET 578 CO -0.67 0.18 -1.24 -0.44 0.23 0.00 0.00 176.91 174.97 1xjg h ASP 579 N 0.29 0.40 0.33 1.39 3.32 -1.57 -0.46 116.42 120.12 1xjg h ASP 579 Ca 0.25 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1xjg h ASP 579 Cb 0.62 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1xjg h ASP 579 CO -0.06 1.34 -0.41 0.45 -1.72 0.00 0.00 179.24 178.84 1xjg h HIS 580 N 0.07 -1.13 -0.50 4.55 3.86 -1.15 -1.69 115.15 119.16 1xjg h HIS 580 Ca -0.13 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1xjg h HIS 580 Cb 1.97 0.45 -0.07 0.00 1.06 0.00 0.00 27.41 30.82 1xjg h HIS 580 CO 0.06 -0.55 0.10 1.25 0.86 0.00 0.00 177.93 179.65 1xjg h LEU 581 N -0.79 0.01 -1.14 2.43 5.85 -0.74 -1.72 115.31 119.22 1xjg h LEU 581 Ca -0.02 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1xjg h LEU 581 Cb 0.73 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1xjg h LEU 581 CO -0.11 0.03 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.63 1xjg h LEU 582 N 0.24 0.00 -0.46 2.25 3.38 -1.03 -1.40 115.31 118.29 1xjg h LEU 582 Ca 0.25 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 1xjg h LEU 582 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1xjg h LEU 582 CO -0.32 0.32 -0.20 -0.03 0.09 0.00 0.00 178.44 178.30 1xjg h MET 583 N 0.00 0.95 -0.08 1.13 4.05 -0.46 -2.18 114.93 118.35 1xjg h MET 583 Ca -0.00 -0.41 -0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1xjg h MET 583 Cb 0.77 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1xjg h MET 583 CO 0.04 1.07 0.05 0.37 0.23 0.00 0.00 176.91 178.67 1xjg h GLN 584 N 0.80 0.11 -0.67 0.39 4.15 -0.62 -2.05 115.11 117.22 1xjg h GLN 584 Ca 0.11 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.66 1xjg h GLN 584 Cb 0.77 -0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.32 1xjg h GLN 584 CO 0.06 0.10 0.00 0.22 -1.93 0.00 0.00 178.83 177.29 1xjg h ASP 585 N 0.08 -0.31 -0.65 -0.69 1.82 -1.20 -0.36 116.42 115.12 1xjg h ASP 585 Ca 0.03 0.17 0.07 0.00 -0.39 0.00 0.00 57.03 56.90 1xjg h ASP 585 Cb 0.02 0.30 -0.06 0.00 0.68 0.00 0.00 39.33 40.27 1xjg h ASP 585 CO -0.01 -0.14 0.34 0.00 -1.61 0.00 0.00 179.24 177.83 1xjg h ALA 586 N 1.62 0.87 -0.22 -0.78 0.00 -0.71 -1.83 119.26 118.21 1xjg h ALA 586 Ca 0.36 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 1xjg h ALA 586 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xjg h ALA 586 CO -0.58 -0.01 -0.35 0.74 0.00 0.00 0.00 179.25 179.05 1xjg h PHE 587 N 0.62 0.77 -0.09 0.00 0.04 -1.19 -3.12 116.94 113.98 1xjg h PHE 587 Ca 0.30 -0.27 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1xjg h PHE 587 Cb 0.23 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1xjg h PHE 587 CO -0.09 1.01 0.07 0.37 -0.60 0.00 0.00 178.31 179.07 1xjg h GLN 588 N 0.31 0.00 0.00 1.51 5.75 -0.37 -1.40 115.11 120.91 1xjg h GLN 588 Ca 0.02 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1xjg h GLN 588 Cb 0.94 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.49 1xjg h GLN 588 CO 0.08 0.00 -0.01 0.00 -2.65 0.00 0.00 178.83 176.25 1xjg h ARG 589 N 0.00 0.00 0.00 1.69 3.08 -1.29 -2.59 114.38 115.27 1xjg h ARG 589 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1xjg h ARG 589 Cb 0.18 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1xjg h ARG 589 CO -0.00 0.01 -0.36 0.66 -1.07 0.00 0.00 179.97 179.21 1xjg n TYR 590 N -3.43 0.00 -5.16 3.04 4.01 -0.55 -0.20 117.16 114.87 1xjg n TYR 590 Ca -0.03 -0.84 -0.32 0.00 -0.16 0.00 0.00 57.90 56.56 1xjg n TYR 590 Cb 0.11 -0.15 -0.16 0.00 -0.31 0.00 0.00 39.34 38.82 1xjg n TYR 590 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xjg s VAL 591 N -1.97 2.22 0.04 -0.72 1.01 -0.98 -4.64 120.40 115.38 1xjg s VAL 591 Ca 0.27 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1xjg s VAL 591 Cb 0.25 -1.85 -0.32 0.00 0.00 0.00 0.00 36.38 34.46 1xjg s VAL 591 CO -0.03 0.56 1.04 -2.24 0.00 0.00 0.00 175.10 174.43 1xjg h ASP 592 N 6.58 0.65 -0.17 3.32 3.04 -1.74 -3.43 116.42 124.67 1xjg h ASP 592 Ca -0.23 -0.71 0.00 0.00 -3.24 0.00 0.00 57.03 52.85 1xjg h ASP 592 Cb 1.22 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 39.30 1xjg h ASP 592 CO 0.48 1.56 0.00 0.59 -2.04 0.00 0.00 179.24 179.83 1xjg n ASN 593 N -3.63 0.00 -0.90 4.15 3.02 -1.11 -4.91 115.26 111.88 1xjg n ASN 593 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1xjg n ASN 593 Cb 1.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 1xjg n ASN 593 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xjg n ASN 594 N 0.00 0.55 -3.82 6.41 3.02 0.10 -4.94 115.26 116.59 1xjg n ASN 594 Ca 0.00 -0.45 -0.13 0.00 -0.03 0.00 0.00 54.58 53.97 1xjg n ASN 594 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1xjg n ASN 594 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xjg s ILE 595 N 1.15 -0.02 -0.26 2.41 1.01 -1.26 -2.84 121.20 121.40 1xjg s ILE 595 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 1xjg s ILE 595 Cb 0.00 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.34 1xjg s ILE 595 CO 0.00 0.03 0.36 -0.55 0.00 0.00 0.00 174.94 174.78 1xjg s SER 596 N 0.42 6.26 -0.23 3.58 0.15 -0.76 -4.66 113.70 118.47 1xjg s SER 596 Ca -0.03 0.30 -0.09 0.00 0.70 0.00 0.00 55.95 56.83 1xjg s SER 596 Cb -0.05 -2.20 0.09 0.00 -1.71 0.00 0.00 66.02 62.15 1xjg s SER 596 CO -0.01 -0.15 0.50 -0.75 1.20 0.00 0.00 173.24 174.03 1xjg s LYS 597 N 1.88 0.44 -0.15 5.44 2.47 -1.26 -4.76 119.74 123.80 1xjg s LYS 597 Ca 0.15 1.11 -0.21 0.00 -1.56 0.00 0.00 55.97 55.46 1xjg s LYS 597 Cb -0.15 0.37 -0.03 0.00 -1.46 0.00 0.00 37.83 36.55 1xjg s LYS 597 CO 0.09 -0.21 0.60 0.99 0.16 0.00 0.00 175.35 176.98 1xjg s THR 598 N 2.34 5.08 -0.68 3.43 2.01 -1.26 -4.01 115.64 122.54 1xjg s THR 598 Ca -0.05 1.17 -0.24 0.00 0.31 0.00 0.00 61.69 62.88 1xjg s THR 598 Cb -0.11 -3.93 0.06 0.00 0.01 0.00 0.00 72.50 68.54 1xjg s THR 598 CO -0.15 0.20 1.06 -0.63 -0.69 0.00 0.00 174.62 174.41 1xjg s ILE 599 N 1.30 4.14 0.15 1.82 -1.09 0.14 -4.92 121.20 122.75 1xjg s ILE 599 Ca 0.30 -0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.30 1xjg s ILE 599 Cb -0.16 -4.75 -0.07 0.00 -1.58 0.00 0.00 42.46 35.89 1xjg s ILE 599 CO 0.12 -1.57 1.14 0.20 -1.23 0.00 0.00 174.94 173.60 1xjg s ASN 600 N 3.68 7.18 0.04 3.58 -0.87 -1.26 -0.95 114.94 126.34 1xjg s ASN 600 Ca 0.26 2.11 0.07 0.00 -1.57 0.00 0.00 52.86 53.73 1xjg s ASN 600 Cb -0.14 -2.60 -0.02 0.00 -0.02 0.00 0.00 41.25 38.47 1xjg s ASN 600 CO 0.12 -0.31 -0.21 -0.04 -2.57 0.00 0.00 177.10 174.09 1xjg s MET 601 N -0.03 1.43 0.94 -0.60 -1.94 0.47 -4.00 119.30 115.56 1xjg s MET 601 Ca 0.52 -0.92 -0.11 0.00 -1.71 0.00 0.00 55.69 53.48 1xjg s MET 601 Cb -0.30 -1.52 0.16 0.00 2.01 0.00 0.00 34.83 35.17 1xjg s MET 601 CO 0.34 0.39 1.10 -1.25 -0.01 0.00 0.00 175.02 175.60 1xjg s PRO 602 N -1.09 0.84 0.33 2.03 0.04 -1.26 -0.59 135.00 135.30 1xjg s PRO 602 Ca 0.08 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.35 1xjg s PRO 602 Cb -0.09 -1.73 0.59 0.00 0.04 0.00 0.00 34.50 33.31 1xjg s PRO 602 CO 0.01 -2.64 1.97 0.37 0.04 0.00 0.00 177.00 176.75 1xjg h GLN 603 N -1.86 0.91 0.00 4.56 4.15 -1.94 -2.64 115.11 118.29 1xjg h GLN 603 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.88 1xjg h GLN 603 Cb 1.28 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1xjg h GLN 603 CO 0.47 0.60 0.00 -1.13 -1.93 0.00 0.00 178.83 176.84 1xjg n SER 604 N -4.45 0.00 -4.72 -0.69 3.41 -1.26 -4.81 113.62 101.09 1xjg n SER 604 Ca 0.09 -0.39 -0.35 0.00 -0.26 0.00 0.00 58.87 57.97 1xjg n SER 604 Cb 0.11 -0.13 0.08 0.00 -0.26 0.00 0.00 64.21 64.01 1xjg n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjg s ALA 605 N -2.26 2.20 0.47 7.33 0.00 -1.00 -5.05 121.76 123.45 1xjg s ALA 605 Ca 0.27 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.28 1xjg s ALA 605 Cb 0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1xjg s ALA 605 CO 0.29 -1.78 0.25 0.95 0.00 0.00 0.00 175.76 175.47 1xjg s THR 606 N -1.79 2.00 0.18 0.00 -4.23 -1.26 -5.00 115.64 105.53 1xjg s THR 606 Ca 0.77 -1.64 -0.13 0.00 -1.18 0.00 0.00 61.69 59.51 1xjg s THR 606 Cb -0.32 -2.63 0.09 0.00 1.34 0.00 0.00 72.50 70.98 1xjg s THR 606 CO 0.43 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 176.82 1xjg h VAL 607 N 1.17 0.78 -1.00 2.29 2.07 -1.97 -1.35 116.25 118.25 1xjg h VAL 607 Ca -0.41 -0.09 0.18 0.00 0.82 0.00 0.00 66.70 67.20 1xjg h VAL 607 Cb 1.28 0.49 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 1xjg h VAL 607 CO 0.65 0.05 0.62 0.44 0.02 0.00 0.00 177.57 179.35 1xjg h ASP 608 N 0.27 0.77 -0.44 0.57 3.32 -1.96 -1.16 116.42 117.80 1xjg h ASP 608 Ca 0.23 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1xjg h ASP 608 Cb 0.27 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1xjg h ASP 608 CO -0.27 0.30 0.21 0.44 -1.72 0.00 0.00 179.24 178.20 1xjg h ASP 609 N 0.77 0.58 -0.08 6.45 3.32 -1.65 0.04 116.42 125.84 1xjg h ASP 609 Ca 0.56 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.50 1xjg h ASP 609 Cb 0.87 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1xjg h ASP 609 CO -0.34 0.54 -0.06 0.58 -1.72 0.00 0.00 179.24 178.24 1xjg h VAL 610 N 0.57 0.82 -0.79 -1.35 2.07 -0.87 -1.60 116.25 115.11 1xjg h VAL 610 Ca 0.15 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.77 1xjg h VAL 610 Cb 0.12 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1xjg h VAL 610 CO -0.02 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.93 1xjg h LEU 611 N -0.06 0.59 -0.83 2.57 3.38 -0.87 -0.12 115.31 119.96 1xjg h LEU 611 Ca 0.05 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1xjg h LEU 611 Cb 0.14 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1xjg h LEU 611 CO -0.12 0.33 0.26 0.78 0.09 0.00 0.00 178.44 179.78 1xjg h ASN 612 N 0.71 1.05 0.40 -0.43 2.35 -0.63 0.32 115.58 119.35 1xjg h ASN 612 Ca 0.39 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1xjg h ASN 612 Cb 0.40 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1xjg h ASN 612 CO -0.27 0.95 -0.45 0.58 -1.65 0.00 0.00 177.43 176.59 1xjg h VAL 613 N 1.09 0.11 -0.76 2.81 2.07 -0.21 -0.60 116.25 120.76 1xjg h VAL 613 Ca 0.24 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.91 1xjg h VAL 613 Cb 0.26 0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 29.99 1xjg h VAL 613 CO -0.01 0.00 -0.26 1.88 0.02 0.00 0.00 177.57 179.19 1xjg h TYR 614 N -0.88 -0.66 -0.11 1.57 -1.99 -0.57 0.27 116.97 114.60 1xjg h TYR 614 Ca -0.04 0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1xjg h TYR 614 Cb 0.79 0.41 -0.00 0.00 2.00 0.00 0.00 36.73 39.92 1xjg h TYR 614 CO -0.26 -0.36 0.04 -0.07 -0.00 0.00 0.00 178.16 177.51 1xjg h LEU 615 N -0.05 0.16 -0.85 3.88 3.38 -0.18 -1.79 115.31 119.86 1xjg h LEU 615 Ca 0.33 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.25 1xjg h LEU 615 Cb 0.57 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 1xjg h LEU 615 CO -0.80 0.29 0.47 -0.08 0.09 0.00 0.00 178.44 178.41 1xjg h GLU 616 N 0.02 0.72 -0.83 1.13 4.57 0.12 0.29 114.58 120.60 1xjg h GLU 616 Ca 0.04 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 1xjg h GLU 616 Cb 0.18 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 1xjg h GLU 616 CO -0.00 0.47 0.54 0.00 -1.18 0.00 0.00 179.01 178.84 1xjg h ALA 617 N 1.50 1.78 -0.54 2.92 0.00 0.06 0.20 119.26 125.18 1xjg h ALA 617 Ca 0.43 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1xjg h ALA 617 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1xjg h ALA 617 CO -0.30 0.03 0.13 -0.07 0.00 0.00 0.00 179.25 179.05 1xjg h LEU 618 N 0.73 0.78 -0.41 0.00 3.38 0.41 -2.38 115.31 117.81 1xjg h LEU 618 Ca 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xjg h LEU 618 Cb 0.53 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xjg h LEU 618 CO -0.16 0.77 -0.04 0.54 0.09 0.00 0.00 178.44 179.64 1xjg n ARG 619 N -4.27 1.14 -0.93 1.13 1.74 0.66 -4.77 116.66 111.35 1xjg n ARG 619 Ca 0.04 -0.41 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 1xjg n ARG 619 Cb 0.23 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1xjg n ARG 619 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xjg n THR 620 N -0.57 0.00 -0.93 0.55 -2.24 -0.90 -5.04 114.28 105.16 1xjg n THR 620 Ca 0.19 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 1xjg n THR 620 Cb 0.25 -0.75 0.30 0.00 -2.10 0.00 0.00 70.33 68.03 1xjg n THR 620 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xjg n ASN 621 N -1.88 4.40 -4.77 3.42 3.02 -1.26 -4.98 115.26 113.21 1xjg n ASN 621 Ca 0.00 -2.94 -0.38 0.00 -0.03 0.00 0.00 54.58 51.23 1xjg n ASN 621 Cb 0.00 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.58 1xjg n ASN 621 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xjg s VAL 622 N -2.72 3.17 -0.04 2.41 -7.23 -1.26 -4.75 120.40 109.98 1xjg s VAL 622 Ca 0.45 0.96 0.22 0.00 -1.81 0.00 0.00 61.98 61.79 1xjg s VAL 622 Cb 0.35 -3.52 -0.33 0.00 0.56 0.00 0.00 36.38 33.44 1xjg s VAL 622 CO 0.12 0.06 0.45 0.54 -0.31 0.00 0.00 175.10 175.95 1xjg n ARG 623 N -0.06 0.66 -4.10 4.82 3.00 -1.26 -4.96 116.66 114.76 1xjg n ARG 623 Ca 0.05 -0.18 -0.15 0.00 -0.01 0.00 0.00 57.85 57.56 1xjg n ARG 623 Cb 0.47 -1.52 -0.04 0.00 0.00 0.00 0.00 32.46 31.37 1xjg n ARG 623 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1xjg s GLY 624 N -4.58 1.53 -0.08 -0.13 0.00 -1.26 -0.64 107.32 102.16 1xjg s GLY 624 Ca -0.08 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.08 1xjg s GLY 624 CO 0.90 -1.02 0.04 -0.42 0.00 0.00 0.00 173.10 172.60 1xjg s ILE 625 N -3.07 0.14 -0.16 0.90 -1.09 0.21 -4.98 121.20 113.15 1xjg s ILE 625 Ca 0.31 0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.85 1xjg s ILE 625 Cb -0.00 -0.42 -0.03 0.00 -1.58 0.00 0.00 42.46 40.43 1xjg s ILE 625 CO 0.21 0.14 0.02 -0.89 -1.23 0.00 0.00 174.94 173.19 1xjg s THR 626 N 2.06 4.40 0.03 2.92 2.01 -1.26 -1.63 115.64 124.18 1xjg s THR 626 Ca 0.04 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 61.92 1xjg s THR 626 Cb -0.13 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1xjg s THR 626 CO -0.05 0.49 -0.14 0.68 -0.69 0.00 0.00 174.62 174.91 1xjg s VAL 627 N 0.23 3.06 -0.15 3.82 -7.23 -1.26 0.27 120.40 119.14 1xjg s VAL 627 Ca 0.01 -1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 1xjg s VAL 627 Cb -0.13 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.55 1xjg s VAL 627 CO 0.01 0.36 -0.00 -0.47 -0.31 0.00 0.00 175.10 174.69 1xjg s TYR 628 N -0.95 1.13 -0.19 2.82 5.04 -0.12 -4.54 117.35 120.54 1xjg s TYR 628 Ca 0.15 -0.73 -0.24 0.00 -2.44 0.00 0.00 57.07 53.81 1xjg s TYR 628 Cb -0.11 -1.05 -0.01 0.00 0.35 0.00 0.00 41.96 41.14 1xjg s TYR 628 CO 0.06 -0.53 0.79 0.50 -1.34 0.00 0.00 175.55 175.03 1xjg s ARG 629 N 1.82 4.25 -0.09 4.97 3.52 -1.26 -0.40 118.95 131.76 1xjg s ARG 629 Ca 0.01 0.92 -0.37 0.00 -0.13 0.00 0.00 55.73 56.16 1xjg s ARG 629 Cb -0.15 -3.59 -0.15 0.00 -1.56 0.00 0.00 34.95 29.50 1xjg s ARG 629 CO -0.07 -0.36 1.65 -3.47 -0.81 0.00 0.00 175.30 172.23 1xjg n ASP 630 N 5.41 2.50 0.00 -2.12 4.64 0.24 -0.71 116.55 126.52 1xjg n ASP 630 Ca 0.04 1.07 0.00 0.00 -1.38 0.00 0.00 54.79 54.51 1xjg n ASP 630 Cb 0.49 -1.24 0.00 0.00 -1.04 0.00 0.00 41.12 39.33 1xjg n ASP 630 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xjg n GLY 631 N 3.71 0.79 0.09 0.27 0.00 -1.26 -3.92 105.19 104.87 1xjg n GLY 631 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 1xjg n GLY 631 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xjg h SER 632 N 0.00 -0.29 -0.01 1.61 0.02 -1.22 -3.52 113.55 110.14 1xjg h SER 632 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1xjg h SER 632 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1xjg h SER 632 CO 0.00 -0.11 0.00 0.18 -1.14 0.00 0.00 176.83 175.76