#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shj n PRO 56 N 0.00 0.01 -1.69 5.55 -0.02 -1.26 -4.32 135.00 133.26 1shj n PRO 56 Ca 0.00 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.02 1shj n PRO 56 Cb 0.00 -2.05 0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1shj n PRO 56 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1shj s THR 57 N -4.26 3.50 -0.84 3.45 -1.32 -1.26 -4.97 115.64 109.93 1shj s THR 57 Ca -0.03 0.62 0.16 0.00 -1.21 0.00 0.00 61.69 61.24 1shj s THR 57 Cb 0.17 -3.17 0.60 0.00 -1.51 0.00 0.00 72.50 68.59 1shj s THR 57 CO 0.56 -0.50 1.51 -1.22 -2.21 0.00 0.00 174.62 172.76 1shj n TYR 58 N -2.66 1.17 -4.20 9.09 4.02 -1.26 -4.92 117.16 118.40 1shj n TYR 58 Ca 0.09 -0.65 -0.17 0.00 -0.01 0.00 0.00 57.90 57.17 1shj n TYR 58 Cb 0.53 -0.22 -0.13 0.00 -0.02 0.00 0.00 39.34 39.49 1shj n TYR 58 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1shj s GLN 59 N -1.92 0.67 0.27 -0.72 -2.07 -1.26 0.37 119.66 115.00 1shj s GLN 59 Ca 0.43 -0.64 -0.31 0.00 -1.82 0.00 0.00 55.36 53.03 1shj s GLN 59 Cb 0.29 -0.59 -0.12 0.00 -1.09 0.00 0.00 33.01 31.50 1shj s GLN 59 CO 0.19 0.14 1.63 0.66 -1.32 0.00 0.00 175.29 176.59 1shj n TYR 60 N 1.95 2.83 -1.81 9.60 4.01 -0.47 -4.82 117.16 128.45 1shj n TYR 60 Ca -0.19 0.20 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1shj n TYR 60 Cb 0.55 -2.62 -0.03 0.00 -0.31 0.00 0.00 39.34 36.94 1shj n TYR 60 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1shj s ASN 61 N 0.68 6.51 0.00 7.72 2.47 -1.26 -4.85 114.94 126.21 1shj s ASN 61 Ca 0.67 2.61 0.06 0.00 0.42 0.00 0.00 52.86 56.62 1shj s ASN 61 Cb -0.50 -2.56 0.17 0.00 -1.45 0.00 0.00 41.25 36.92 1shj s ASN 61 CO 0.44 -0.96 1.14 0.23 -3.72 0.00 0.00 177.10 174.23 1shj n MET 62 N 5.99 2.90 -2.11 0.43 2.81 -1.26 -4.87 117.12 121.01 1shj n MET 62 Ca 0.17 -1.81 -0.42 0.00 -1.81 0.00 0.00 57.70 53.83 1shj n MET 62 Cb 0.40 -1.15 -0.00 0.00 -0.71 0.00 0.00 33.22 31.75 1shj n MET 62 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1shj n ASN 63 N 0.09 4.32 -4.35 7.83 2.85 -1.26 -4.90 115.26 119.83 1shj n ASN 63 Ca 0.07 -2.87 -0.19 0.00 -0.11 0.00 0.00 54.58 51.48 1shj n ASN 63 Cb 0.35 -1.69 -0.10 0.00 1.24 0.00 0.00 39.78 39.58 1shj n ASN 63 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1shj s PHE 64 N 3.78 1.74 0.39 1.20 0.40 -1.26 -5.02 117.98 119.19 1shj s PHE 64 Ca 0.51 -0.57 0.20 0.00 -0.60 0.00 0.00 56.93 56.47 1shj s PHE 64 Cb 0.09 -0.81 1.19 0.00 0.51 0.00 0.00 43.02 44.00 1shj s PHE 64 CO -0.01 0.37 1.68 1.49 0.70 0.00 0.00 175.22 179.46 1shj h GLU 65 N 2.54 0.27 -3.38 0.44 4.81 -1.86 -3.43 114.58 113.98 1shj h GLU 65 Ca -0.38 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.74 1shj h GLU 65 Cb 1.22 -0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.38 1shj h GLU 65 CO 0.62 0.18 -0.26 -1.59 -0.73 0.00 0.00 179.01 177.23 1shj s LYS 66 N -5.51 0.82 0.15 1.92 -2.85 -0.83 -5.06 119.74 108.38 1shj s LYS 66 Ca -0.09 -0.57 -0.13 0.00 -1.00 0.00 0.00 55.97 54.18 1shj s LYS 66 Cb 0.29 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.44 1shj s LYS 66 CO 0.80 -0.27 1.65 1.25 0.10 0.00 0.00 175.35 178.88 1shj h LEU 67 N 3.14 0.78 0.00 2.77 6.46 -1.84 -2.50 115.31 124.11 1shj h LEU 67 Ca -0.32 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 1shj h LEU 67 Cb 1.20 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1shj h LEU 67 CO 0.47 0.82 0.00 0.61 -0.62 0.00 0.00 178.44 179.72 1shj n GLY 68 N -0.58 0.95 3.83 3.75 0.00 -1.26 -1.34 105.19 110.55 1shj n GLY 68 Ca 0.01 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1shj n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1shj s LYS 69 N -1.19 4.13 -0.25 1.61 2.20 -1.25 -1.51 119.74 123.48 1shj s LYS 69 Ca 0.00 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1shj s LYS 69 Cb 0.00 -2.68 0.07 0.00 -1.51 0.00 0.00 37.83 33.71 1shj s LYS 69 CO 0.00 0.29 -0.02 0.00 -0.36 0.00 0.00 175.35 175.26 1shj s ILE 71 N 1.43 5.15 -0.18 0.00 -1.09 -0.47 -1.57 121.20 124.46 1shj s ILE 71 Ca -0.02 0.49 -0.07 0.00 -2.23 0.00 0.00 60.65 58.82 1shj s ILE 71 Cb -0.18 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1shj s ILE 71 CO -0.09 0.07 0.06 -0.63 -1.23 0.00 0.00 174.94 173.13 1shj s ILE 72 N 2.12 4.80 -0.28 2.92 1.01 0.14 0.32 121.20 132.23 1shj s ILE 72 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 1shj s ILE 72 Cb -0.16 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.18 1shj s ILE 72 CO 0.11 0.47 0.01 -0.63 0.00 0.00 0.00 174.94 174.89 1shj s ILE 73 N 0.33 3.26 -0.66 2.92 1.01 0.35 -0.83 121.20 127.58 1shj s ILE 73 Ca 0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 1shj s ILE 73 Cb -0.12 -2.74 0.17 0.00 0.01 0.00 0.00 42.46 39.78 1shj s ILE 73 CO 0.00 0.05 0.49 0.21 0.00 0.00 0.00 174.94 175.69 1shj s ASN 74 N 1.36 5.37 -0.56 3.58 3.04 0.14 -0.82 114.94 127.05 1shj s ASN 74 Ca -0.01 -2.92 -0.22 0.00 0.04 0.00 0.00 52.86 49.75 1shj s ASN 74 Cb -0.18 -1.88 0.06 0.00 -1.54 0.00 0.00 41.25 37.71 1shj s ASN 74 CO -0.01 -0.37 0.82 0.20 -3.04 0.00 0.00 177.10 174.70 1shj s ASN 75 N 0.69 6.26 -0.19 -4.21 0.01 -0.28 -1.68 114.94 115.54 1shj s ASN 75 Ca 0.18 -0.75 -0.15 0.00 -0.71 0.00 0.00 52.86 51.42 1shj s ASN 75 Cb -0.19 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.00 1shj s ASN 75 CO -0.04 -1.15 -0.11 1.17 -1.51 0.00 0.00 177.10 175.46 1shj n LYS 76 N 6.98 0.52 -4.00 -0.60 4.81 -1.26 -4.52 118.16 120.10 1shj n LYS 76 Ca -0.03 0.45 -0.36 0.00 -0.87 0.00 0.00 58.31 57.50 1shj n LYS 76 Cb 0.46 -1.64 -0.08 0.00 0.02 0.00 0.00 35.03 33.79 1shj n LYS 76 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1shj s ASN 77 N -6.42 5.93 0.05 3.14 0.01 -1.26 -2.08 114.94 114.31 1shj s ASN 77 Ca -0.26 0.28 0.08 0.00 -0.71 0.00 0.00 52.86 52.25 1shj s ASN 77 Cb 0.06 -1.91 -0.03 0.00 0.41 0.00 0.00 41.25 39.78 1shj s ASN 77 CO 0.42 0.32 -0.22 -0.36 -1.51 0.00 0.00 177.10 175.75 1shj s PHE 78 N -0.50 1.90 0.23 2.20 0.40 -1.26 -4.75 117.98 116.21 1shj s PHE 78 Ca 0.11 -0.39 -0.31 0.00 -0.60 0.00 0.00 56.93 55.74 1shj s PHE 78 Cb -0.12 -1.12 -0.14 0.00 0.51 0.00 0.00 43.02 42.16 1shj s PHE 78 CO 0.02 0.12 1.40 -0.25 0.70 0.00 0.00 175.22 177.21 1shj n ASP 79 N 1.70 2.69 -0.05 1.36 8.00 -0.40 -4.86 116.55 124.99 1shj n ASP 79 Ca -0.17 1.14 0.23 0.00 0.71 0.00 0.00 54.79 56.70 1shj n ASP 79 Cb 0.53 -1.42 0.71 0.00 -0.02 0.00 0.00 41.12 40.92 1shj n ASP 79 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1shj h LYS 80 N 4.19 0.00 -0.62 -1.24 1.79 -1.90 -1.35 116.57 117.45 1shj h LYS 80 Ca -0.45 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.05 1shj h LYS 80 Cb 1.28 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.89 1shj h LYS 80 CO 0.76 0.00 0.41 0.28 -1.08 0.00 0.00 179.45 179.81 1shj h VAL 81 N 0.00 1.09 0.00 0.50 2.07 -1.95 -1.70 116.25 116.26 1shj h VAL 81 Ca 0.30 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1shj h VAL 81 Cb 1.25 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1shj h VAL 81 CO -0.00 0.13 -0.19 0.71 0.02 0.00 0.00 177.57 178.24 1shj h THR 82 N 0.74 0.60 -0.66 2.57 1.35 -1.58 -3.47 112.91 112.46 1shj h THR 82 Ca 0.25 -0.86 -0.14 0.00 -0.55 0.00 0.00 66.41 65.11 1shj h THR 82 Cb 0.07 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.02 1shj h THR 82 CO -0.07 0.18 -0.15 0.61 -0.25 0.00 0.00 175.52 175.84 1shj n GLY 83 N -0.28 0.50 3.78 5.82 0.00 -0.64 -5.04 105.19 109.33 1shj n GLY 83 Ca -0.01 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 1shj n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1shj s MET 84 N -3.47 3.12 0.68 1.61 -1.94 -1.26 -5.12 119.30 112.92 1shj s MET 84 Ca 0.00 -0.41 -0.07 0.00 -1.71 0.00 0.00 55.69 53.51 1shj s MET 84 Cb 0.00 -2.90 0.05 0.00 2.01 0.00 0.00 34.83 33.98 1shj s MET 84 CO 0.00 0.68 0.99 0.20 -0.01 0.00 0.00 175.02 176.88 1shj s GLY 85 N -1.45 1.67 0.15 -0.03 0.00 -1.26 -4.67 107.32 101.73 1shj s GLY 85 Ca 0.20 -0.85 -0.31 0.00 0.00 0.00 0.00 44.72 43.75 1shj s GLY 85 CO 0.10 -0.48 1.75 0.14 0.00 0.00 0.00 173.10 174.61 1shj s VAL 86 N -3.20 2.40 -1.25 1.40 1.01 -1.26 -4.70 120.40 114.80 1shj s VAL 86 Ca 0.59 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.52 1shj s VAL 86 Cb -0.11 -3.07 0.13 0.00 0.00 0.00 0.00 36.38 33.33 1shj s VAL 86 CO 0.45 0.00 1.57 0.54 0.00 0.00 0.00 175.10 177.67 1shj n ARG 87 N 4.89 3.30 -2.00 2.72 1.74 -0.88 -4.99 116.66 121.43 1shj n ARG 87 Ca 0.17 -3.60 -0.41 0.00 -0.77 0.00 0.00 57.85 53.23 1shj n ARG 87 Cb 0.37 -3.24 -0.02 0.00 -1.02 0.00 0.00 32.46 28.55 1shj n ARG 87 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1shj s ASN 88 N 3.41 6.63 0.00 0.55 0.01 -1.26 -2.77 114.94 121.51 1shj s ASN 88 Ca 0.48 2.69 0.00 0.00 -0.71 0.00 0.00 52.86 55.31 1shj s ASN 88 Cb 0.00 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1shj s ASN 88 CO 0.04 -0.71 0.00 0.61 -1.51 0.00 0.00 177.10 175.52 1shj n GLY 89 N 2.18 0.73 0.12 0.66 0.00 -1.26 -4.89 105.19 102.72 1shj n GLY 89 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1shj n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shj h THR 90 N 0.00 1.07 -0.28 2.61 1.03 -1.92 -3.07 112.91 112.34 1shj h THR 90 Ca 0.00 -2.50 -0.03 0.00 -0.01 0.00 0.00 66.41 63.87 1shj h THR 90 Cb 0.00 2.52 -0.01 0.00 -1.07 0.00 0.00 68.15 69.59 1shj h THR 90 CO 0.00 0.61 0.07 0.44 -0.01 0.00 0.00 175.52 176.62 1shj h ASP 91 N 0.00 0.43 -0.76 0.00 3.32 -1.93 0.43 116.42 117.92 1shj h ASP 91 Ca -0.01 -0.23 0.11 0.00 0.02 0.00 0.00 57.03 56.92 1shj h ASP 91 Cb 1.47 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.85 1shj h ASP 91 CO 0.08 0.55 0.50 0.50 -1.72 0.00 0.00 179.24 179.15 1shj h LYS 92 N 0.29 0.58 0.04 3.56 1.63 -1.98 0.88 116.57 121.58 1shj h LYS 92 Ca 0.09 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1shj h LYS 92 Cb 0.29 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1shj h LYS 92 CO 0.00 0.38 -0.02 -0.44 -3.45 0.00 0.00 179.45 175.92 1shj h ASP 93 N 0.60 -0.05 -0.72 4.20 3.32 -1.38 -2.33 116.42 120.05 1shj h ASP 93 Ca 0.36 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 57.13 1shj h ASP 93 Cb 0.59 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 1shj h ASP 93 CO -0.13 0.31 0.43 0.00 -1.72 0.00 0.00 179.24 178.13 1shj h ALA 94 N 0.51 0.97 -0.12 3.45 0.00 0.22 -0.79 119.26 123.50 1shj h ALA 94 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1shj h ALA 94 Cb 0.38 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1shj h ALA 94 CO 0.01 0.14 -0.02 0.93 0.00 0.00 0.00 179.25 180.31 1shj h GLU 95 N 0.79 0.23 -0.53 0.00 4.39 -0.93 -1.46 114.58 117.07 1shj h GLU 95 Ca 0.31 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.95 1shj h GLU 95 Cb 0.14 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1shj h GLU 95 CO -0.16 0.51 0.33 0.00 -1.16 0.00 0.00 179.01 178.53 1shj h ALA 96 N 0.72 0.67 -0.34 3.43 0.00 -1.19 -1.67 119.26 120.88 1shj h ALA 96 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1shj h ALA 96 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1shj h ALA 96 CO 0.01 0.06 0.13 -0.07 0.00 0.00 0.00 179.25 179.39 1shj h LEU 97 N 0.67 0.47 -0.18 0.00 3.38 -1.13 0.53 115.31 119.05 1shj h LEU 97 Ca 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1shj h LEU 97 Cb -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1shj h LEU 97 CO -0.07 0.51 0.03 2.19 0.09 0.00 0.00 178.44 181.19 1shj h PHE 98 N 0.40 0.32 -0.41 1.13 -5.15 -1.10 0.35 116.94 112.48 1shj h PHE 98 Ca 0.11 -0.04 0.06 0.00 -0.20 0.00 0.00 57.97 57.90 1shj h PHE 98 Cb 0.19 -0.09 -0.05 0.00 0.22 0.00 0.00 35.95 36.22 1shj h PHE 98 CO -0.00 0.46 0.09 0.87 -2.00 0.00 0.00 178.31 177.73 1shj h LYS 99 N 0.09 0.22 0.35 6.09 1.57 -1.28 0.14 116.57 123.74 1shj h LYS 99 Ca 0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1shj h LYS 99 Cb 0.31 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1shj h LYS 99 CO 0.00 0.15 -0.20 0.00 -0.57 0.00 0.00 179.45 178.83 1shj h PHE 101 N -0.52 0.00 -0.36 0.00 -1.00 -0.19 -1.98 116.94 112.89 1shj h PHE 101 Ca -0.04 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 1shj h PHE 101 Cb 0.42 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1shj h PHE 101 CO -0.08 0.30 0.06 -0.09 -1.61 0.00 0.00 178.31 176.88 1shj h ARG 102 N 0.00 0.59 -0.41 1.51 2.43 -0.65 -1.94 114.38 115.90 1shj h ARG 102 Ca -0.00 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1shj h ARG 102 Cb 0.94 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1shj h ARG 102 CO 0.04 0.66 0.04 1.03 -1.51 0.00 0.00 179.97 180.22 1shj h SER 103 N 0.43 0.60 0.21 -3.80 0.87 -0.80 -0.57 113.55 110.48 1shj h SER 103 Ca 0.11 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1shj h SER 103 Cb 0.35 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1shj h SER 103 CO 0.01 0.64 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.74 1shj h LEU 104 N 0.61 0.00 0.00 2.23 3.38 -1.26 -3.46 115.31 116.81 1shj h LEU 104 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1shj h LEU 104 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1shj h LEU 104 CO 0.01 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1shj n GLY 105 N -0.98 1.48 3.84 0.83 0.00 -0.22 -4.99 105.19 105.15 1shj n GLY 105 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1shj n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1shj s PHE 106 N -2.00 3.42 -0.66 1.61 0.40 -0.74 -4.00 117.98 116.01 1shj s PHE 106 Ca 0.00 1.47 -0.22 0.00 -0.60 0.00 0.00 56.93 57.58 1shj s PHE 106 Cb 0.00 -2.78 0.08 0.00 0.51 0.00 0.00 43.02 40.83 1shj s PHE 106 CO 0.00 -0.30 0.92 -0.51 0.70 0.00 0.00 175.22 176.03 1shj s ASP 107 N -2.88 6.19 0.05 1.36 1.01 -0.57 -4.44 116.67 117.40 1shj s ASP 107 Ca 0.59 -1.12 -0.27 0.00 0.71 0.00 0.00 52.55 52.46 1shj s ASP 107 Cb -0.10 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 1shj s ASP 107 CO 0.27 -1.37 0.83 -0.69 0.21 0.00 0.00 175.17 174.43 1shj s VAL 108 N 3.75 4.69 -0.07 -1.27 1.01 -1.26 -2.14 120.40 125.11 1shj s VAL 108 Ca 0.20 1.78 0.04 0.00 0.00 0.00 0.00 61.98 64.01 1shj s VAL 108 Cb -0.18 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 1shj s VAL 108 CO 0.09 0.33 -0.20 -0.63 0.00 0.00 0.00 175.10 174.69 1shj s ILE 109 N 0.10 1.66 -0.25 2.22 -1.09 -0.61 -4.98 121.20 118.26 1shj s ILE 109 Ca 0.42 -0.82 -0.00 0.00 -2.23 0.00 0.00 60.65 58.02 1shj s ILE 109 Cb -0.21 -1.44 0.03 0.00 -1.58 0.00 0.00 42.46 39.26 1shj s ILE 109 CO 0.25 0.47 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.66 1shj s VAL 110 N 0.20 2.65 0.00 2.92 1.01 -1.26 -0.68 120.40 125.25 1shj s VAL 110 Ca -0.10 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 1shj s VAL 110 Cb -0.15 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1shj s VAL 110 CO 0.05 0.17 0.11 -0.31 0.00 0.00 0.00 175.10 175.12 1shj s TYR 111 N 1.27 3.35 0.03 5.22 1.51 -0.01 -5.00 117.35 123.72 1shj s TYR 111 Ca -0.01 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.31 1shj s TYR 111 Cb -0.17 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1shj s TYR 111 CO -0.05 0.57 -0.10 -0.80 -1.11 0.00 0.00 175.55 174.06 1shj s ASN 112 N -1.87 1.19 -1.19 2.29 -0.87 -1.26 0.26 114.94 113.49 1shj s ASN 112 Ca 0.25 -0.40 -0.28 0.00 -1.57 0.00 0.00 52.86 50.85 1shj s ASN 112 Cb -0.12 -0.06 0.02 0.00 -0.02 0.00 0.00 41.25 41.08 1shj s ASN 112 CO 0.16 -0.03 0.72 0.47 -2.57 0.00 0.00 177.10 175.85 1shj n ASP 113 N 2.01 -4.52 -4.81 -1.22 9.92 -0.68 -4.93 116.55 112.32 1shj n ASP 113 Ca -0.18 -1.18 -0.37 0.00 -0.53 0.00 0.00 54.79 52.52 1shj n ASP 113 Cb 0.55 -2.39 -0.06 0.00 -0.64 0.00 0.00 41.12 38.59 1shj n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1shj s SER 115 N -1.43 2.45 0.12 0.00 1.04 -1.26 0.30 113.70 114.92 1shj s SER 115 Ca 0.37 1.45 -0.16 0.00 0.48 0.00 0.00 55.95 58.09 1shj s SER 115 Cb -0.18 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 1shj s SER 115 CO 0.21 -3.28 1.62 0.00 0.98 0.00 0.00 173.24 172.78 1shj h ALA 117 N 0.93 1.58 0.30 0.00 0.00 -1.99 -0.89 119.26 119.19 1shj h ALA 117 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1shj h ALA 117 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1shj h ALA 117 CO 0.00 0.34 -0.14 0.87 0.00 0.00 0.00 179.25 180.32 1shj h LYS 118 N 0.89 -0.39 -0.86 0.00 1.79 -1.89 -0.63 116.57 115.48 1shj h LYS 118 Ca 0.29 0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.89 1shj h LYS 118 Cb 0.07 0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.73 1shj h LYS 118 CO -0.09 -0.15 0.50 0.52 -1.08 0.00 0.00 179.45 179.15 1shj h MET 119 N -0.56 0.80 0.04 3.15 2.86 -0.99 0.26 114.93 120.48 1shj h MET 119 Ca -0.04 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1shj h MET 119 Cb 0.41 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1shj h MET 119 CO 0.07 0.53 -0.02 1.96 1.06 0.00 0.00 176.91 180.51 1shj h GLN 120 N 0.82 -0.05 -0.07 1.72 1.08 -1.11 -2.78 115.11 114.73 1shj h GLN 120 Ca 0.42 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.61 1shj h GLN 120 Cb 0.40 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1shj h GLN 120 CO -0.26 0.19 -0.00 0.22 -0.95 0.00 0.00 178.83 178.03 1shj h ASP 121 N -0.29 0.12 -0.96 1.46 3.58 -0.73 -2.42 116.42 117.18 1shj h ASP 121 Ca -0.01 -0.32 0.09 0.00 0.42 0.00 0.00 57.03 57.21 1shj h ASP 121 Cb 0.27 -0.03 -0.12 0.00 1.72 0.00 0.00 39.33 41.17 1shj h ASP 121 CO 0.01 0.41 -0.57 -0.11 -2.88 0.00 0.00 179.24 176.10 1shj n LEU 122 N -4.85 -1.02 0.06 2.28 7.94 0.87 -1.14 117.00 121.14 1shj n LEU 122 Ca -0.07 1.72 -0.08 0.00 -1.11 0.00 0.00 56.01 56.47 1shj n LEU 122 Cb 0.20 -0.22 0.05 0.00 0.53 0.00 0.00 43.42 43.97 1shj n LEU 122 CO 0.35 -1.40 0.37 -0.07 -1.11 0.00 0.00 177.39 175.53 1shj h LEU 123 N 0.00 0.39 -0.69 -1.96 3.38 -1.51 -1.67 115.31 113.25 1shj h LEU 123 Ca 0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1shj h LEU 123 Cb 0.40 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1shj h LEU 123 CO -0.91 0.98 0.42 0.50 0.09 0.00 0.00 178.44 179.53 1shj h LYS 124 N 0.23 0.93 -0.07 1.13 3.64 -1.03 0.12 116.57 121.52 1shj h LYS 124 Ca -0.03 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 1shj h LYS 124 Cb 1.28 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1shj h LYS 124 CO 0.12 0.66 -0.54 0.87 -2.27 0.00 0.00 179.45 178.28 1shj h LYS 125 N 0.94 0.20 -0.68 1.90 1.57 -1.03 -1.54 116.57 117.94 1shj h LYS 125 Ca 0.25 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1shj h LYS 125 Cb -0.04 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1shj h LYS 125 CO -0.05 0.69 0.13 0.00 -0.57 0.00 0.00 179.45 179.66 1shj h ALA 126 N 1.28 0.96 0.00 3.86 0.00 -0.83 -2.69 119.26 121.84 1shj h ALA 126 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1shj h ALA 126 Cb 1.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1shj h ALA 126 CO 0.08 0.66 0.00 0.66 0.00 0.00 0.00 179.25 180.65 1shj h SER 127 N 1.03 0.00 0.01 0.00 4.64 -0.26 -2.86 113.55 116.12 1shj h SER 127 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1shj h SER 127 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1shj h SER 127 CO 0.01 0.00 -0.21 -0.62 -0.87 0.00 0.00 176.83 175.14 1shj n GLU 128 N -2.42 1.66 -1.22 4.77 1.02 -0.63 -4.73 120.64 119.09 1shj n GLU 128 Ca 0.03 -1.30 -0.29 0.00 -0.02 0.00 0.00 57.16 55.58 1shj n GLU 128 Cb 0.31 -1.47 0.18 0.00 -0.02 0.00 0.00 31.44 30.44 1shj n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1shj s GLU 129 N -2.24 0.22 -0.35 3.49 2.02 -1.08 -5.01 118.70 115.76 1shj s GLU 129 Ca 0.25 0.35 -0.16 0.00 0.02 0.00 0.00 54.97 55.43 1shj s GLU 129 Cb 0.19 -1.73 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 1shj s GLU 129 CO 0.43 -2.83 0.41 0.34 0.02 0.00 0.00 175.26 173.63 1shj s ASP 130 N -3.64 6.22 -0.21 -0.19 3.68 -1.26 -4.93 116.67 116.34 1shj s ASP 130 Ca 0.66 -0.19 0.15 0.00 2.13 0.00 0.00 52.55 55.31 1shj s ASP 130 Cb -0.16 -2.22 0.66 0.00 -1.45 0.00 0.00 42.92 39.75 1shj s ASP 130 CO 0.57 -0.39 1.58 1.41 0.13 0.00 0.00 175.17 178.46 1shj n HIS 131 N 5.50 1.48 0.22 -5.34 8.25 -1.26 -4.70 115.22 119.37 1shj n HIS 131 Ca -0.08 -0.84 0.05 0.00 -0.26 0.00 0.00 57.72 56.60 1shj n HIS 131 Cb 0.49 -0.42 0.51 0.00 1.12 0.00 0.00 29.99 31.69 1shj n HIS 131 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1shj h THR 132 N 2.74 1.12 -0.54 1.59 2.02 -1.93 -2.19 112.91 115.71 1shj h THR 132 Ca 0.01 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1shj h THR 132 Cb 1.71 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1shj h THR 132 CO 0.36 0.16 0.00 -0.46 0.37 0.00 0.00 175.52 175.95 1shj n ASN 133 N -4.34 4.17 -4.42 4.18 0.23 -1.26 -4.94 115.26 108.88 1shj n ASN 133 Ca -0.02 -2.41 -0.29 0.00 -0.53 0.00 0.00 54.58 51.32 1shj n ASN 133 Cb 0.23 -0.54 -0.13 0.00 -2.08 0.00 0.00 39.78 37.26 1shj n ASN 133 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1shj s ALA 134 N -1.87 2.47 0.01 -2.53 0.00 -0.83 -1.96 121.76 117.06 1shj s ALA 134 Ca 0.43 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 1shj s ALA 134 Cb 0.28 -0.47 -0.28 0.00 0.00 0.00 0.00 23.12 22.65 1shj s ALA 134 CO 0.20 0.56 0.88 0.00 0.00 0.00 0.00 175.76 177.40 1shj h ALA 135 N 3.88 0.26 -2.52 0.00 0.00 -1.06 -3.48 119.26 116.33 1shj h ALA 135 Ca -0.50 -1.09 -0.03 0.00 0.00 0.00 0.00 54.91 53.29 1shj h ALA 135 Cb 1.17 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1shj h ALA 135 CO 0.41 1.12 0.09 0.00 0.00 0.00 0.00 179.25 180.88 1shj s PHE 137 N -5.91 -0.05 0.03 0.00 5.36 -0.94 -3.94 117.98 112.53 1shj s PHE 137 Ca 0.07 0.28 0.07 0.00 -0.96 0.00 0.00 56.93 56.39 1shj s PHE 137 Cb -0.02 -0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.46 1shj s PHE 137 CO 0.05 -0.12 -0.20 0.00 -1.46 0.00 0.00 175.22 173.49 1shj s ALA 138 N 1.12 2.49 -0.02 11.12 0.00 0.29 -0.24 121.76 136.51 1shj s ALA 138 Ca -0.09 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1shj s ALA 138 Cb -0.12 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1shj s ALA 138 CO -0.04 0.56 0.05 0.00 0.00 0.00 0.00 175.76 176.32 1shj s ILE 140 N 0.75 1.81 -0.28 0.00 1.01 0.15 -1.39 121.20 123.25 1shj s ILE 140 Ca -0.06 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 1shj s ILE 140 Cb -0.09 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.76 1shj s ILE 140 CO -0.02 0.50 0.04 -0.76 0.00 0.00 0.00 174.94 174.70 1shj s LEU 141 N 1.00 3.63 -0.30 2.97 1.43 -0.75 -0.50 118.68 126.17 1shj s LEU 141 Ca -0.04 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1shj s LEU 141 Cb -0.15 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.29 1shj s LEU 141 CO -0.04 -0.16 0.00 -0.76 0.23 0.00 0.00 176.35 175.63 1shj s LEU 142 N 1.47 3.90 0.00 1.79 1.43 -0.00 -0.83 118.68 126.44 1shj s LEU 142 Ca 0.03 -1.25 -0.08 0.00 -1.03 0.00 0.00 54.13 51.80 1shj s LEU 142 Cb -0.17 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1shj s LEU 142 CO 0.01 -0.26 0.39 -0.24 0.23 0.00 0.00 176.35 176.48 1shj n SER 143 N 4.64 -0.72 -4.82 2.29 2.88 -1.08 -1.12 113.62 115.69 1shj n SER 143 Ca -0.13 -1.40 -0.34 0.00 -1.33 0.00 0.00 58.87 55.67 1shj n SER 143 Cb 0.44 1.17 -0.07 0.00 -0.75 0.00 0.00 64.21 65.00 1shj n SER 143 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1shj s HIS 144 N -4.76 3.43 -0.28 0.66 3.76 -1.26 -1.00 115.29 115.84 1shj s HIS 144 Ca 0.09 1.56 -0.18 0.00 -0.15 0.00 0.00 55.06 56.38 1shj s HIS 144 Cb -0.01 -2.79 0.09 0.00 1.11 0.00 0.00 32.58 30.97 1shj s HIS 144 CO 0.03 0.03 0.75 0.20 -0.85 0.00 0.00 174.74 174.89 1shj s GLY 145 N -2.03 -0.52 0.00 -2.22 0.00 0.15 -0.33 107.32 102.36 1shj s GLY 145 Ca 0.57 2.45 0.00 0.00 0.00 0.00 0.00 44.72 47.74 1shj s GLY 145 CO 0.17 2.28 0.00 1.18 0.00 0.00 0.00 173.10 176.73 1shj n GLU 146 N 3.84 3.41 0.00 2.90 1.02 -0.75 -3.99 120.64 127.06 1shj n GLU 146 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1shj n GLU 146 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 1shj n GLU 146 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1shj n GLU 147 N 0.00 0.00 -0.95 3.49 4.71 -1.26 -3.70 120.64 122.93 1shj n GLU 147 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1shj n GLU 147 Cb 0.00 -0.20 0.30 0.00 -1.01 0.00 0.00 31.44 30.53 1shj n GLU 147 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1shj n ASN 148 N 0.00 4.60 -4.02 1.62 6.94 -1.26 -4.81 115.26 118.33 1shj n ASN 148 Ca 0.00 -3.24 -0.21 0.00 -0.02 0.00 0.00 54.58 51.11 1shj n ASN 148 Cb 0.00 -0.72 -0.15 0.00 -2.36 0.00 0.00 39.78 36.55 1shj n ASN 148 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1shj s VAL 149 N -3.00 0.86 0.03 3.53 1.01 -1.24 -1.08 120.40 120.51 1shj s VAL 149 Ca 0.53 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1shj s VAL 149 Cb 0.43 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1shj s VAL 149 CO 0.12 0.26 -0.04 -0.51 0.00 0.00 0.00 175.10 174.93 1shj s ILE 150 N 0.08 3.84 -0.14 2.22 1.10 0.47 -1.81 121.20 126.96 1shj s ILE 150 Ca -0.01 -0.82 -0.24 0.00 -0.51 0.00 0.00 60.65 59.07 1shj s ILE 150 Cb -0.08 -2.73 -0.02 0.00 0.15 0.00 0.00 42.46 39.78 1shj s ILE 150 CO 0.00 0.31 0.77 -0.31 -2.11 0.00 0.00 174.94 173.60 1shj s TYR 151 N -1.11 3.46 0.07 3.50 1.51 0.55 -0.84 117.35 124.49 1shj s TYR 151 Ca 0.20 1.22 -0.01 0.00 -1.01 0.00 0.00 57.07 57.46 1shj s TYR 151 Cb -0.11 -2.93 0.02 0.00 -0.11 0.00 0.00 41.96 38.82 1shj s TYR 151 CO 0.11 -0.14 0.09 0.41 -1.11 0.00 0.00 175.55 174.91 1shj n GLY 152 N 3.40 -1.39 0.08 0.71 0.00 -0.81 -4.54 105.19 102.65 1shj n GLY 152 Ca 0.02 -1.63 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 1shj n GLY 152 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1shj h LYS 153 N 0.00 0.00 -0.01 1.61 2.10 -0.42 -3.32 116.57 116.53 1shj h LYS 153 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1shj h LYS 153 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1shj h LYS 153 CO 0.02 0.87 -0.41 -0.40 -2.00 0.00 0.00 179.45 177.53 1shj n ASP 154 N -3.31 1.96 0.00 7.07 5.75 -1.26 -1.28 116.55 125.48 1shj n ASP 154 Ca -0.01 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1shj n ASP 154 Cb 0.91 0.45 0.00 0.00 -1.03 0.00 0.00 41.12 41.45 1shj n ASP 154 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1shj n GLY 155 N 1.33 -0.72 3.13 6.12 0.00 -1.25 -4.88 105.19 108.93 1shj n GLY 155 Ca 0.09 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.36 1shj n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shj s VAL 156 N -1.27 -0.91 0.11 1.61 1.01 -1.26 -1.92 120.40 117.77 1shj s VAL 156 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1shj s VAL 156 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1shj s VAL 156 CO 0.00 -0.02 -0.10 0.42 0.00 0.00 0.00 175.10 175.40 1shj s THR 157 N 2.79 3.38 -0.06 3.92 -4.23 -0.02 -4.94 115.64 116.48 1shj s THR 157 Ca 0.17 -1.28 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1shj s THR 157 Cb -0.15 -2.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 1shj s THR 157 CO -0.20 0.10 1.66 -2.16 -0.54 0.00 0.00 174.62 173.48 1shj s PRO 158 N -2.25 4.15 0.61 3.99 0.04 -1.26 -0.39 135.00 139.88 1shj s PRO 158 Ca 0.22 2.16 0.28 0.00 0.04 0.00 0.00 61.00 63.69 1shj s PRO 158 Cb -0.11 -3.99 1.33 0.00 0.04 0.00 0.00 34.50 31.77 1shj s PRO 158 CO 0.14 -0.88 1.75 0.82 0.04 0.00 0.00 177.00 178.87 1shj h ILE 159 N 5.62 0.22 -0.25 0.56 2.04 -1.42 -0.68 117.51 123.60 1shj h ILE 159 Ca -0.39 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.29 1shj h ILE 159 Cb 1.18 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1shj h ILE 159 CO 0.96 0.00 -0.56 0.50 0.00 0.00 0.00 178.15 179.05 1shj h LYS 160 N 0.00 0.82 0.00 2.37 3.64 -1.90 -2.95 116.57 118.55 1shj h LYS 160 Ca 0.24 -0.55 -0.09 0.00 -1.27 0.00 0.00 60.65 58.98 1shj h LYS 160 Cb 1.50 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 1shj h LYS 160 CO -0.00 1.17 -0.44 -0.44 -2.27 0.00 0.00 179.45 177.48 1shj h ASP 161 N 0.58 0.00 -0.39 4.20 3.32 -1.49 -0.16 116.42 122.47 1shj h ASP 161 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1shj h ASP 161 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1shj h ASP 161 CO 0.12 0.44 0.05 -0.07 -1.72 0.00 0.00 179.24 178.06 1shj h LEU 162 N 0.00 0.63 0.00 1.55 3.38 -1.51 -3.21 115.31 116.15 1shj h LEU 162 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1shj h LEU 162 Cb 0.84 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1shj h LEU 162 CO 0.06 0.75 -0.33 0.71 0.09 0.00 0.00 178.44 179.71 1shj h THR 163 N 0.50 0.00 -0.73 0.22 1.35 -1.31 -3.32 112.91 109.62 1shj h THR 163 Ca 0.12 -0.90 0.18 0.00 -0.55 0.00 0.00 66.41 65.25 1shj h THR 163 Cb 0.39 1.73 -0.04 0.00 -1.73 0.00 0.00 68.15 68.50 1shj h THR 163 CO 0.01 0.00 0.50 0.00 -0.25 0.00 0.00 175.52 175.78 1shj h ALA 164 N 2.10 2.39 0.00 6.62 0.00 -1.03 -2.23 119.26 127.11 1shj h ALA 164 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1shj h ALA 164 Cb 0.95 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1shj h ALA 164 CO 0.00 -0.60 -0.07 0.45 0.00 0.00 0.00 179.25 179.02 1shj h HIS 165 N 0.20 0.00 -0.94 0.00 3.86 -1.73 -3.15 115.15 113.39 1shj h HIS 165 Ca 0.35 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.03 1shj h HIS 165 Cb 1.11 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.29 1shj h HIS 165 CO -0.00 0.07 0.68 1.19 0.86 0.00 0.00 177.93 180.74 1shj n PHE 166 N -3.26 2.95 -3.55 2.45 3.72 -0.84 -4.15 117.46 114.78 1shj n PHE 166 Ca -0.00 -2.10 -0.34 0.00 -0.05 0.00 0.00 57.45 54.96 1shj n PHE 166 Cb 0.30 -1.05 -0.05 0.00 -0.94 0.00 0.00 39.48 37.73 1shj n PHE 166 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1shj s ARG 167 N -3.25 3.77 0.19 -1.08 0.52 -1.19 -4.81 118.95 113.09 1shj s ARG 167 Ca 0.56 0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 55.80 1shj s ARG 167 Cb 0.46 -2.97 0.17 0.00 0.52 0.00 0.00 34.95 33.13 1shj s ARG 167 CO 0.07 0.54 1.30 0.41 0.02 0.00 0.00 175.30 177.64 1shj n GLY 168 N 0.81 -1.79 0.42 -3.53 0.00 -1.26 0.46 105.19 100.30 1shj n GLY 168 Ca -0.07 0.95 -0.10 0.00 0.00 0.00 0.00 46.02 46.80 1shj n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shj h ALA 169 N 1.07 -0.49 -0.53 4.61 0.00 -1.97 -3.21 119.26 118.73 1shj h ALA 169 Ca 0.27 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1shj h ALA 169 Cb 0.48 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1shj h ALA 169 CO -0.83 -0.92 0.00 2.89 0.00 0.00 0.00 179.25 180.39 1shj n ARG 170 N -5.36 3.04 -2.98 0.00 1.85 0.11 -4.61 116.66 108.71 1shj n ARG 170 Ca 0.01 -2.52 -0.15 0.00 -1.00 0.00 0.00 57.85 54.19 1shj n ARG 170 Cb 0.33 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 1shj n ARG 170 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1shj h LYS 172 N 3.53 0.00 -0.00 0.00 1.57 -1.79 -1.51 116.57 118.38 1shj h LYS 172 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1shj h LYS 172 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1shj h LYS 172 CO 0.37 0.01 -0.00 0.25 -0.57 0.00 0.00 179.45 179.50 1shj n THR 173 N -3.38 0.00 -1.65 -0.16 -2.24 -1.26 -3.09 114.28 102.49 1shj n THR 173 Ca -0.03 -0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1shj n THR 173 Cb 0.09 -0.50 0.20 0.00 -2.10 0.00 0.00 70.33 68.02 1shj n THR 173 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1shj n LEU 174 N -1.25 2.65 -4.75 3.22 4.77 -0.57 -4.15 117.00 116.92 1shj n LEU 174 Ca 0.15 -3.82 -0.41 0.00 -0.03 0.00 0.00 56.01 51.91 1shj n LEU 174 Cb 0.23 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1shj n LEU 174 CO 0.23 1.37 0.74 -0.76 -1.33 0.00 0.00 177.39 177.64 1shj s LEU 175 N -3.07 4.55 -2.03 2.23 1.43 -1.18 -3.17 118.68 117.43 1shj s LEU 175 Ca 0.38 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1shj s LEU 175 Cb 0.37 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1shj s LEU 175 CO -0.07 -0.09 0.00 -0.62 0.23 0.00 0.00 176.35 175.80 1shj n GLU 176 N 1.86 -1.48 -5.02 1.70 1.02 -1.26 -4.98 120.64 112.48 1shj n GLU 176 Ca 0.00 1.16 -0.32 0.00 -0.02 0.00 0.00 57.16 57.98 1shj n GLU 176 Cb 0.46 -5.54 -0.15 0.00 -0.02 0.00 0.00 31.44 26.20 1shj n GLU 176 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1shj s LYS 177 N -3.62 2.74 0.20 3.49 1.02 -1.19 -4.92 119.74 117.46 1shj s LYS 177 Ca 0.00 -0.78 -0.31 0.00 0.02 0.00 0.00 55.97 54.90 1shj s LYS 177 Cb 0.00 -2.35 -0.10 0.00 -0.52 0.00 0.00 37.83 34.86 1shj s LYS 177 CO 0.00 0.42 1.50 -1.25 -0.92 0.00 0.00 175.35 175.09 1shj s PRO 178 N -0.22 4.25 -0.27 -1.68 0.04 -1.26 -4.88 135.00 130.98 1shj s PRO 178 Ca -0.01 2.31 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 1shj s PRO 178 Cb -0.13 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.29 1shj s PRO 178 CO 0.03 -0.51 -0.01 0.15 0.04 0.00 0.00 177.00 176.70 1shj s LYS 179 N 0.48 2.83 -0.25 4.56 1.02 0.10 -2.21 119.74 126.27 1shj s LYS 179 Ca 0.65 -1.00 -0.04 0.00 0.02 0.00 0.00 55.97 55.60 1shj s LYS 179 Cb -0.42 -3.12 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1shj s LYS 179 CO 0.36 -0.45 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.82 1shj s LEU 180 N 1.36 3.26 -0.26 3.17 1.02 0.67 -1.77 118.68 126.13 1shj s LEU 180 Ca -0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 54.13 53.50 1shj s LEU 180 Cb -0.17 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.29 1shj s LEU 180 CO -0.02 -0.10 -0.02 -0.36 0.02 0.00 0.00 176.35 175.87 1shj s PHE 181 N 1.44 3.08 -0.37 0.29 0.40 -0.25 -0.42 117.98 122.15 1shj s PHE 181 Ca 0.03 -1.35 -0.10 0.00 -0.60 0.00 0.00 56.93 54.91 1shj s PHE 181 Cb -0.16 -2.12 0.03 0.00 0.51 0.00 0.00 43.02 41.29 1shj s PHE 181 CO -0.02 -0.67 0.19 -0.06 0.70 0.00 0.00 175.22 175.36 1shj s PHE 182 N 1.38 3.25 -0.22 0.36 0.40 -0.48 -0.94 117.98 121.73 1shj s PHE 182 Ca 0.01 -1.08 -0.07 0.00 -0.60 0.00 0.00 56.93 55.19 1shj s PHE 182 Cb -0.17 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 40.89 1shj s PHE 182 CO -0.02 -0.68 0.06 0.42 0.70 0.00 0.00 175.22 175.70 1shj s ILE 183 N 1.52 4.48 -0.81 0.64 1.01 0.08 -1.80 121.20 126.32 1shj s ILE 183 Ca 0.01 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1shj s ILE 183 Cb -0.19 -3.06 0.20 0.00 0.01 0.00 0.00 42.46 39.41 1shj s ILE 183 CO 0.06 0.39 0.67 1.67 0.00 0.00 0.00 174.94 177.72 1shj n GLN 184 N 4.36 2.31 -3.37 2.79 -0.06 -0.01 -1.26 117.38 122.14 1shj n GLN 184 Ca -0.16 -4.50 -0.41 0.00 -2.00 0.00 0.00 57.00 49.93 1shj n GLN 184 Cb 0.52 -2.35 -0.09 0.00 -4.06 0.00 0.00 30.24 24.25 1shj n GLN 184 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1shj s ALA 185 N -1.48 3.50 0.23 1.69 0.00 -1.15 -2.62 121.76 121.92 1shj s ALA 185 Ca 0.27 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1shj s ALA 185 Cb -0.05 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 1shj s ALA 185 CO -0.14 -1.08 1.03 0.00 0.00 0.00 0.00 175.76 175.57 1shj n ARG 187 N 1.66 0.00 0.00 0.00 5.12 -1.26 0.30 116.66 122.49 1shj n ARG 187 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1shj n ARG 187 Cb 0.46 -0.45 0.00 0.00 -1.16 0.00 0.00 32.46 31.31 1shj n ARG 187 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1shj n GLY 188 N 1.42 2.05 0.00 -0.13 0.00 -1.26 -4.41 105.19 102.86 1shj n GLY 188 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1shj n GLY 188 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1shj n PRO 209 N -2.00 0.00 -4.11 1.61 -0.02 -1.26 -5.09 135.00 124.14 1shj n PRO 209 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1shj n PRO 209 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 1shj n PRO 209 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1shj s ARG 210 N -2.19 2.68 0.45 -0.52 3.00 -1.26 -4.87 118.95 116.23 1shj s ARG 210 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 55.73 54.93 1shj s ARG 210 Cb 0.00 -2.59 -0.03 0.00 0.00 0.00 0.00 34.95 32.33 1shj s ARG 210 CO 0.00 0.53 0.05 1.52 0.00 0.00 0.00 175.30 177.40 1shj s TYR 211 N -1.44 1.93 -0.24 -0.53 -0.85 -1.26 -4.40 117.35 110.56 1shj s TYR 211 Ca 0.28 -1.03 -0.04 0.00 -0.52 0.00 0.00 57.07 55.76 1shj s TYR 211 Cb -0.11 -1.45 0.09 0.00 0.38 0.00 0.00 41.96 40.87 1shj s TYR 211 CO 0.20 0.06 0.16 0.21 -1.52 0.00 0.00 175.55 174.66 1shj s LYS 212 N -3.80 0.17 -0.06 -3.49 2.36 -1.26 -5.01 119.74 108.65 1shj s LYS 212 Ca 0.18 -0.20 -0.29 0.00 -2.55 0.00 0.00 55.97 53.12 1shj s LYS 212 Cb 0.04 -1.30 -0.02 0.00 -1.05 0.00 0.00 37.83 35.50 1shj s LYS 212 CO 0.10 -0.85 0.94 0.42 1.55 0.00 0.00 175.35 177.52 1shj s ILE 213 N 2.19 4.86 0.26 5.43 1.01 -1.26 -4.92 121.20 128.78 1shj s ILE 213 Ca 0.07 1.95 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 1shj s ILE 213 Cb -0.16 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 37.94 1shj s ILE 213 CO -0.23 0.11 1.41 -2.16 0.00 0.00 0.00 174.94 174.07 1shj s PRO 214 N 1.42 4.28 -0.65 2.79 0.04 -1.26 -4.99 135.00 136.63 1shj s PRO 214 Ca 0.48 2.28 -0.03 0.00 0.04 0.00 0.00 61.00 63.77 1shj s PRO 214 Cb -0.19 -3.11 0.17 0.00 0.04 0.00 0.00 34.50 31.40 1shj s PRO 214 CO 0.22 -0.38 0.47 0.08 0.04 0.00 0.00 177.00 177.43 1shj s VAL 215 N -0.15 3.77 0.02 -0.36 1.01 -1.26 -5.05 120.40 118.39 1shj s VAL 215 Ca 0.58 -3.07 0.03 0.00 0.00 0.00 0.00 61.98 59.52 1shj s VAL 215 Cb -0.41 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1shj s VAL 215 CO 0.44 -0.90 -0.09 -0.70 0.00 0.00 0.00 175.10 173.85 1shj s GLU 216 N -0.21 0.63 0.53 2.72 2.12 -1.26 -5.14 118.70 118.10 1shj s GLU 216 Ca 0.18 -0.54 -0.22 0.00 0.36 0.00 0.00 54.97 54.75 1shj s GLU 216 Cb -0.19 -0.55 -0.06 0.00 0.26 0.00 0.00 34.13 33.58 1shj s GLU 216 CO -0.04 0.14 1.24 0.00 -0.54 0.00 0.00 175.26 176.05 1shj n ALA 217 N 2.18 1.15 -1.53 6.30 0.00 -1.26 -2.91 120.51 124.44 1shj n ALA 217 Ca -0.17 0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 1shj n ALA 217 Cb 0.56 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.67 1shj n ALA 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1shj n ASP 218 N -0.63 -5.01 -4.93 0.00 8.00 0.08 -4.94 116.55 109.12 1shj n ASP 218 Ca 0.10 0.39 -0.25 0.00 0.71 0.00 0.00 54.79 55.74 1shj n ASP 218 Cb 0.44 -3.99 -0.02 0.00 -0.02 0.00 0.00 41.12 37.53 1shj n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1shj s PHE 219 N -2.63 3.49 -0.19 1.24 0.08 -1.15 0.02 117.98 118.85 1shj s PHE 219 Ca 0.00 0.42 -0.10 0.00 0.12 0.00 0.00 56.93 57.37 1shj s PHE 219 Cb 0.00 -1.94 0.06 0.00 -0.57 0.00 0.00 43.02 40.57 1shj s PHE 219 CO 0.00 0.16 0.46 -1.17 -0.10 0.00 0.00 175.22 174.56 1shj s LEU 220 N -4.03 -0.22 -0.05 -0.37 0.20 -0.73 -1.25 118.68 112.23 1shj s LEU 220 Ca 0.41 0.99 0.04 0.00 0.69 0.00 0.00 54.13 56.26 1shj s LEU 220 Cb -0.10 1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 47.15 1shj s LEU 220 CO 0.34 -0.20 -0.16 -0.36 -0.29 0.00 0.00 176.35 175.68 1shj s PHE 221 N 1.41 2.66 -0.42 5.38 0.08 0.32 -1.09 117.98 126.31 1shj s PHE 221 Ca -0.09 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.71 1shj s PHE 221 Cb -0.08 -1.63 0.13 0.00 -0.57 0.00 0.00 43.02 40.87 1shj s PHE 221 CO -0.14 0.10 0.21 0.00 -0.10 0.00 0.00 175.22 175.30 1shj s ALA 222 N -0.58 2.24 -0.32 5.36 0.00 -0.12 -0.95 121.76 127.39 1shj s ALA 222 Ca 0.08 -2.53 -0.12 0.00 0.00 0.00 0.00 51.96 49.39 1shj s ALA 222 Cb -0.11 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 1shj s ALA 222 CO 0.01 -1.98 0.22 -0.47 0.00 0.00 0.00 175.76 173.54 1shj s TYR 223 N 0.51 3.22 0.14 0.00 6.14 -1.00 -0.74 117.35 125.62 1shj s TYR 223 Ca 0.16 -0.17 0.09 0.00 0.64 0.00 0.00 57.07 57.78 1shj s TYR 223 Cb -0.23 -2.44 -0.04 0.00 0.42 0.00 0.00 41.96 39.66 1shj s TYR 223 CO -0.04 -0.32 -0.14 0.45 0.64 0.00 0.00 175.55 176.14 1shj s SER 224 N 1.72 4.08 0.00 4.32 0.15 -0.39 -1.90 113.70 121.68 1shj s SER 224 Ca 0.06 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1shj s SER 224 Cb -0.17 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1shj s SER 224 CO 0.10 0.15 0.00 0.35 1.20 0.00 0.00 173.24 175.04 1shj n THR 225 N 0.49 0.00 -1.67 6.45 -2.24 -1.26 -2.96 114.28 113.09 1shj n THR 225 Ca -0.13 0.00 -0.60 0.00 -2.27 0.00 0.00 64.05 61.05 1shj n THR 225 Cb 0.54 -0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 1shj n THR 225 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1shj n VAL 226 N -2.22 0.12 -3.09 2.28 0.31 -1.26 -4.54 118.33 109.93 1shj n VAL 226 Ca 0.00 -0.02 -0.39 0.00 -0.01 0.00 0.00 64.34 63.92 1shj n VAL 226 Cb 0.47 -0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 32.57 1shj n VAL 226 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1shj s PRO 227 N 2.29 4.42 0.09 5.55 0.05 -1.26 -4.76 135.00 141.39 1shj s PRO 227 Ca 0.96 0.97 -0.03 0.00 0.05 0.00 0.00 61.00 62.95 1shj s PRO 227 Cb -1.19 -3.29 -0.03 0.00 0.05 0.00 0.00 34.50 30.04 1shj s PRO 227 CO 0.65 0.48 -0.03 0.41 0.05 0.00 0.00 177.00 178.57 1shj n GLY 238 N 1.96 -0.56 3.77 0.56 0.00 -1.26 -4.08 105.19 105.58 1shj n GLY 238 Ca -0.06 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1shj n GLY 238 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1shj s SER 239 N -0.17 6.62 0.16 1.61 0.15 -1.26 -4.89 113.70 115.92 1shj s SER 239 Ca 0.09 2.80 -0.16 0.00 0.70 0.00 0.00 55.95 59.39 1shj s SER 239 Cb -0.08 -2.65 0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1shj s SER 239 CO 0.11 -0.67 1.82 -0.50 1.20 0.00 0.00 173.24 175.21 1shj h TRP 240 N 3.52 0.54 0.79 3.44 6.55 -1.86 0.74 115.95 129.67 1shj h TRP 240 Ca -0.49 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.33 1shj h TRP 240 Cb 1.23 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 1shj h TRP 240 CO 0.56 0.33 -0.41 0.35 -1.05 0.00 0.00 178.44 178.22 1shj h PHE 241 N 0.58 -1.08 -0.20 0.49 3.57 -1.88 -1.86 116.94 116.55 1shj h PHE 241 Ca 0.16 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1shj h PHE 241 Cb -0.06 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1shj h PHE 241 CO -0.05 -0.65 -0.03 0.28 -2.23 0.00 0.00 178.31 175.64 1shj h VAL 242 N -1.10 0.83 -0.54 1.41 2.07 -1.91 0.17 116.25 117.18 1shj h VAL 242 Ca -0.11 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.48 1shj h VAL 242 Cb 0.86 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1shj h VAL 242 CO 0.15 0.01 0.19 1.56 0.02 0.00 0.00 177.57 179.49 1shj h GLN 243 N 0.03 0.35 -0.47 1.57 1.08 -0.92 -1.83 115.11 114.92 1shj h GLN 243 Ca 0.10 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1shj h GLN 243 Cb 0.13 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1shj h GLN 243 CO -0.18 0.23 -0.06 0.00 -0.95 0.00 0.00 178.83 177.87 1shj h ALA 244 N 1.37 0.64 -0.01 3.87 0.00 -0.54 -1.87 119.26 122.72 1shj h ALA 244 Ca 0.27 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1shj h ALA 244 Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1shj h ALA 244 CO -0.28 0.49 -0.14 1.25 0.00 0.00 0.00 179.25 180.57 1shj h LEU 245 N 0.72 -0.42 -0.25 0.00 5.85 -0.20 -1.59 115.31 119.42 1shj h LEU 245 Ca 0.13 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1shj h LEU 245 Cb 0.59 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1shj h LEU 245 CO 0.04 -0.20 0.16 0.00 -0.34 0.00 0.00 178.44 178.10 1shj h SER 247 N 0.33 0.50 -0.48 0.00 0.87 -1.11 0.31 113.55 113.97 1shj h SER 247 Ca 0.09 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 1shj h SER 247 Cb -0.03 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1shj h SER 247 CO -0.02 0.41 -0.15 0.40 -0.53 0.00 0.00 176.83 176.93 1shj h ILE 248 N 0.55 1.27 -0.23 2.23 1.08 -1.25 -2.94 117.51 118.22 1shj h ILE 248 Ca 0.15 -1.30 -0.11 0.00 -0.39 0.00 0.00 64.86 63.21 1shj h ILE 248 Cb 0.00 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1shj h ILE 248 CO -0.03 0.45 -0.33 0.25 -0.69 0.00 0.00 178.15 177.80 1shj h LEU 249 N 0.79 0.49 -0.36 1.44 5.85 -0.46 0.24 115.31 123.30 1shj h LEU 249 Ca 0.12 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.52 1shj h LEU 249 Cb 0.72 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1shj h LEU 249 CO 0.05 0.79 -0.26 1.05 -0.34 0.00 0.00 178.44 179.73 1shj h GLU 250 N 0.41 0.82 0.15 1.25 4.11 -0.42 0.28 114.58 121.18 1shj h GLU 250 Ca 0.05 -0.40 -0.31 0.00 0.07 0.00 0.00 59.36 58.77 1shj h GLU 250 Cb 0.78 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1shj h GLU 250 CO 0.06 1.03 -1.51 1.49 0.07 0.00 0.00 179.01 180.15 1shj h GLU 251 N 0.62 0.32 -0.07 1.06 4.81 -1.33 -3.38 114.58 116.61 1shj h GLU 251 Ca 0.07 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1shj h GLU 251 Cb 0.83 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1shj h GLU 251 CO 0.07 1.22 0.00 0.72 -0.73 0.00 0.00 179.01 180.29 1shj n HIS 252 N -3.53 0.09 -0.25 0.92 8.25 0.83 -4.79 115.22 116.74 1shj n HIS 252 Ca -0.17 -0.23 0.32 0.00 -0.26 0.00 0.00 57.72 57.38 1shj n HIS 252 Cb 1.06 -0.02 0.74 0.00 1.12 0.00 0.00 29.99 32.88 1shj n HIS 252 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1shj h GLY 253 N 0.87 0.00 -1.40 -1.41 0.00 -0.96 -1.48 103.07 98.69 1shj h GLY 253 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1shj h GLY 253 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1shj n LYS 254 N -4.17 2.89 0.00 4.80 5.02 -1.26 -4.25 118.16 121.20 1shj n LYS 254 Ca 0.22 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 1shj n LYS 254 Cb 1.13 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 1shj n LYS 254 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1shj n ASP 255 N 0.47 2.40 -4.95 4.39 5.75 -0.65 -4.57 116.55 119.39 1shj n ASP 255 Ca 0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.69 1shj n ASP 255 Cb 0.49 0.29 0.01 0.00 -1.03 0.00 0.00 41.12 40.88 1shj n ASP 255 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1shj s LEU 256 N -2.25 3.65 0.17 -2.12 1.43 -0.67 -5.09 118.68 113.80 1shj s LEU 256 Ca 0.00 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1shj s LEU 256 Cb 0.00 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 1shj s LEU 256 CO 0.00 -0.70 0.38 -0.70 0.23 0.00 0.00 176.35 175.56 1shj s GLU 257 N -4.55 3.55 0.27 1.70 -6.30 -1.26 -4.62 118.70 107.49 1shj s GLU 257 Ca 0.48 -0.24 -0.00 0.00 -2.50 0.00 0.00 54.97 52.71 1shj s GLU 257 Cb -0.10 -2.85 0.54 0.00 0.00 0.00 0.00 34.13 31.72 1shj s GLU 257 CO 0.38 0.43 1.78 -0.84 0.02 0.00 0.00 175.26 177.03 1shj h ILE 258 N 1.76 0.79 -0.08 -3.70 -0.00 -1.90 0.35 117.51 114.74 1shj h ILE 258 Ca -0.47 -0.25 -0.02 0.00 -0.00 0.00 0.00 64.86 64.12 1shj h ILE 258 Cb 1.18 -0.01 -0.01 0.00 -0.00 0.00 0.00 36.82 37.98 1shj h ILE 258 CO 0.70 0.13 -0.03 0.24 -0.00 0.00 0.00 178.15 179.19 1shj h MET 259 N 0.73 0.11 0.13 0.16 2.86 -1.95 0.34 114.93 117.31 1shj h MET 259 Ca 0.48 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.10 1shj h MET 259 Cb 0.61 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1shj h MET 259 CO -0.33 0.15 -0.06 1.96 1.06 0.00 0.00 176.91 179.69 1shj h GLN 260 N 0.11 -0.16 -0.34 1.72 4.20 -0.77 -1.80 115.11 118.06 1shj h GLN 260 Ca 0.03 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.82 1shj h GLN 260 Cb 0.14 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.87 1shj h GLN 260 CO 0.01 0.29 -0.38 0.82 -0.67 0.00 0.00 178.83 178.90 1shj h ILE 261 N -0.71 0.18 0.00 2.54 1.08 -0.24 -1.36 117.51 119.00 1shj h ILE 261 Ca -0.02 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.33 1shj h ILE 261 Cb 0.52 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1shj h ILE 261 CO 0.03 0.00 -0.60 -0.07 -0.69 0.00 0.00 178.15 176.81 1shj h LEU 262 N -0.33 0.00 -0.49 1.44 3.38 -0.46 -0.35 115.31 118.51 1shj h LEU 262 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1shj h LEU 262 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1shj h LEU 262 CO -0.52 0.60 0.27 0.74 0.09 0.00 0.00 178.44 179.63 1shj h THR 263 N 0.00 1.16 -0.36 0.22 2.02 -0.97 0.51 112.91 115.49 1shj h THR 263 Ca -0.01 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1shj h THR 263 Cb 1.12 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1shj h THR 263 CO 0.08 0.17 -0.03 0.03 0.37 0.00 0.00 175.52 176.14 1shj h ARG 264 N 0.65 0.58 0.84 6.66 3.08 -0.60 -2.13 114.38 123.46 1shj h ARG 264 Ca 0.17 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1shj h ARG 264 Cb 0.03 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.02 1shj h ARG 264 CO -0.03 0.63 -0.40 0.28 -1.07 0.00 0.00 179.97 179.38 1shj h VAL 265 N 0.55 0.00 -0.90 2.04 2.07 -0.60 -2.68 116.25 116.73 1shj h VAL 265 Ca 0.11 -0.12 0.17 0.00 0.82 0.00 0.00 66.70 67.68 1shj h VAL 265 Cb 0.40 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.01 1shj h VAL 265 CO 0.02 0.00 -0.26 0.59 0.02 0.00 0.00 177.57 177.94 1shj n ASN 266 N -5.37 -0.40 -0.19 0.57 3.02 0.13 -0.92 115.26 112.10 1shj n ASN 266 Ca -0.14 1.56 -0.01 0.00 -0.03 0.00 0.00 54.58 55.96 1shj n ASN 266 Cb 0.45 -0.44 0.09 0.00 -0.61 0.00 0.00 39.78 39.27 1shj n ASN 266 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1shj h ASP 267 N 0.00 0.20 -0.19 6.41 3.58 -1.23 -0.80 116.42 124.39 1shj h ASP 267 Ca 0.40 0.07 -0.19 0.00 0.42 0.00 0.00 57.03 57.73 1shj h ASP 267 Cb 0.63 0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.74 1shj h ASP 267 CO -0.92 0.13 -0.64 0.03 -2.88 0.00 0.00 179.24 174.95 1shj h ARG 268 N 0.38 0.76 -0.32 0.28 3.08 -0.69 0.69 114.38 118.57 1shj h ARG 268 Ca 0.29 -0.57 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 1shj h ARG 268 Cb 0.34 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1shj h ARG 268 CO -0.29 1.19 0.04 -0.39 -1.07 0.00 0.00 179.97 179.45 1shj h VAL 269 N 0.49 1.17 -0.52 2.04 -1.51 -1.37 -0.54 116.25 116.01 1shj h VAL 269 Ca -0.03 -0.64 -0.07 0.00 -1.23 0.00 0.00 66.70 64.74 1shj h VAL 269 Cb 1.27 0.89 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 1shj h VAL 269 CO 0.14 0.22 0.05 0.00 -1.23 0.00 0.00 177.57 176.75 1shj h ALA 270 N 1.59 1.12 0.00 5.19 0.00 -0.97 -2.93 119.26 123.26 1shj h ALA 270 Ca 0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1shj h ALA 270 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1shj h ALA 270 CO 0.00 0.57 -0.48 0.00 0.00 0.00 0.00 179.25 179.34 1shj h ARG 271 N 0.79 0.00 0.00 0.00 3.08 0.35 -2.48 114.38 116.12 1shj h ARG 271 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1shj h ARG 271 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1shj h ARG 271 CO 0.01 0.48 0.03 0.72 -1.07 0.00 0.00 179.97 180.15 1shj n HIS 272 N -3.81 0.00 -3.40 3.04 8.25 -0.33 -3.86 115.22 115.11 1shj n HIS 272 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.19 1shj n HIS 272 Cb 0.52 -0.40 -0.08 0.00 1.12 0.00 0.00 29.99 31.15 1shj n HIS 272 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1shj n PHE 273 N -1.39 1.56 -3.82 4.41 3.01 -0.93 -4.76 117.46 115.53 1shj n PHE 273 Ca 0.00 -3.85 -0.29 0.00 1.01 0.00 0.00 57.45 54.31 1shj n PHE 273 Cb 0.03 -0.39 -0.11 0.00 -0.01 0.00 0.00 39.48 39.01 1shj n PHE 273 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1shj n GLU 274 N 1.45 2.05 -0.51 -1.08 1.02 -1.25 -5.02 120.64 117.30 1shj n GLU 274 Ca 0.25 -4.51 -0.13 0.00 -0.02 0.00 0.00 57.16 52.76 1shj n GLU 274 Cb 0.45 -2.31 0.01 0.00 -0.02 0.00 0.00 31.44 29.57 1shj n GLU 274 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1shj n SER 275 N 1.93 -1.47 -3.64 1.62 3.41 -1.26 -5.18 113.62 109.02 1shj n SER 275 Ca 0.21 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.75 1shj n SER 275 Cb 0.36 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 1shj n SER 275 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1shj s LYS 286 N -1.14 0.52 0.21 4.33 1.02 -1.26 -5.07 119.74 118.36 1shj s LYS 286 Ca 0.12 0.75 0.03 0.00 0.02 0.00 0.00 55.97 56.89 1shj s LYS 286 Cb 0.04 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.52 1shj s LYS 286 CO 0.22 -0.08 0.11 1.04 -0.92 0.00 0.00 175.35 175.71 1shj n GLN 287 N 3.13 0.54 -3.55 1.68 6.02 -1.26 -5.15 117.38 118.80 1shj n GLN 287 Ca -0.16 -1.92 -0.15 0.00 -0.01 0.00 0.00 57.00 54.76 1shj n GLN 287 Cb 0.57 1.23 -0.06 0.00 1.02 0.00 0.00 30.24 33.01 1shj n GLN 287 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1shj s ILE 288 N -2.54 0.00 0.64 5.09 2.07 -1.26 -4.62 121.20 120.58 1shj s ILE 288 Ca 0.16 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.26 1shj s ILE 288 Cb 0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 1shj s ILE 288 CO 0.11 0.00 1.06 -2.84 -1.91 0.00 0.00 174.94 171.36 1shj s PRO 289 N -1.07 3.11 -0.01 3.50 0.02 -1.26 -4.72 135.00 134.57 1shj s PRO 289 Ca -0.07 1.15 0.07 0.00 0.02 0.00 0.00 61.00 62.17 1shj s PRO 289 Cb -0.00 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 1shj s PRO 289 CO 0.06 -0.98 -0.22 0.00 -0.33 0.00 0.00 177.00 175.54 1shj s VAL 291 N -0.53 3.69 -0.28 0.00 1.01 -1.26 -2.37 120.40 120.66 1shj s VAL 291 Ca 0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1shj s VAL 291 Cb -0.08 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1shj s VAL 291 CO -0.01 0.44 0.07 -0.69 0.00 0.00 0.00 175.10 174.92 1shj s VAL 292 N 1.01 4.00 -0.14 2.92 1.01 -0.12 -4.98 120.40 124.10 1shj s VAL 292 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1shj s VAL 292 Cb -0.15 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1shj s VAL 292 CO 0.01 0.14 -0.15 -0.55 0.00 0.00 0.00 175.10 174.56 1shj s SER 293 N 1.52 3.81 -0.03 3.32 0.15 -1.26 -0.53 113.70 120.68 1shj s SER 293 Ca 0.03 -0.40 0.05 0.00 0.70 0.00 0.00 55.95 56.33 1shj s SER 293 Cb -0.17 -1.58 0.09 0.00 -1.71 0.00 0.00 66.02 62.65 1shj s SER 293 CO 0.02 0.13 1.05 0.23 1.20 0.00 0.00 173.24 175.87 1shj n MET 294 N 3.77 2.60 -1.72 5.44 2.81 -0.38 -5.02 117.12 124.62 1shj n MET 294 Ca -0.19 -1.79 -0.38 0.00 -1.81 0.00 0.00 57.70 53.53 1shj n MET 294 Cb 0.52 -1.14 0.06 0.00 -0.71 0.00 0.00 33.22 31.95 1shj n MET 294 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1shj n LEU 295 N -0.67 5.59 -0.16 4.03 4.77 -1.11 -0.74 117.00 128.71 1shj n LEU 295 Ca 0.05 0.89 0.04 0.00 -0.03 0.00 0.00 56.01 56.95 1shj n LEU 295 Cb 0.36 -1.55 -0.01 0.00 -2.33 0.00 0.00 43.42 39.89 1shj n LEU 295 CO 0.01 -0.93 0.17 0.35 -1.33 0.00 0.00 177.39 175.66 1shj n THR 296 N -1.55 0.00 -4.14 -5.08 -2.24 -1.26 -4.78 114.28 95.23 1shj n THR 296 Ca 0.14 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1shj n THR 296 Cb 0.47 1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 69.71 1shj n THR 296 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1shj s LYS 297 N -1.25 1.53 0.29 -0.78 -0.14 -1.26 -4.97 119.74 113.16 1shj s LYS 297 Ca 0.06 -1.64 -0.28 0.00 -1.36 0.00 0.00 55.97 52.75 1shj s LYS 297 Cb 0.06 0.36 -0.09 0.00 -1.68 0.00 0.00 37.83 36.48 1shj s LYS 297 CO 0.22 -0.58 1.02 -1.21 -0.76 0.00 0.00 175.35 174.04 1shj s GLU 298 N -3.77 4.61 -0.25 1.68 2.02 0.16 -4.77 118.70 118.39 1shj s GLU 298 Ca 0.34 1.60 -0.04 0.00 0.02 0.00 0.00 54.97 56.89 1shj s GLU 298 Cb 0.03 -3.05 0.01 0.00 0.10 0.00 0.00 34.13 31.22 1shj s GLU 298 CO 0.16 0.25 -0.01 -1.17 0.02 0.00 0.00 175.26 174.50 1shj s LEU 299 N -1.66 3.27 -0.09 1.80 2.96 -1.26 -1.37 118.68 122.32 1shj s LEU 299 Ca 0.47 -0.64 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1shj s LEU 299 Cb -0.27 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1shj s LEU 299 CO 0.34 -0.10 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.82 1shj s TYR 300 N 1.44 2.77 -0.87 5.38 2.02 -1.26 -2.45 117.35 124.38 1shj s TYR 300 Ca 0.03 -0.41 0.27 0.00 -0.37 0.00 0.00 57.07 56.59 1shj s TYR 300 Cb -0.16 -1.75 0.95 0.00 -0.40 0.00 0.00 41.96 40.61 1shj s TYR 300 CO -0.02 -0.02 1.79 1.19 -1.57 0.00 0.00 175.55 176.92 1shj n PHE 301 N 2.96 0.41 -0.41 2.71 3.72 -1.26 -4.84 117.46 120.75 1shj n PHE 301 Ca -0.18 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1shj n PHE 301 Cb 0.52 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 1shj n PHE 301 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1shj n SER 302 N -1.85 -0.02 0.00 4.37 3.41 -1.26 -5.02 113.62 113.25 1shj n SER 302 Ca 0.06 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1shj n SER 302 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1shj n SER 302 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88