#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smk s PHE 45 N 0.00 2.91 -0.25 1.61 0.08 0.81 -4.61 117.98 118.53 1smk s PHE 45 Ca 0.00 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 1smk s PHE 45 Cb 0.00 -1.31 -0.05 0.00 -0.57 0.00 0.00 43.02 41.09 1smk s PHE 45 CO 0.00 0.57 0.19 0.15 -0.10 0.00 0.00 175.22 176.03 1smk s LYS 46 N -3.68 4.04 -0.02 0.44 1.02 -1.26 -0.95 119.74 119.32 1smk s LYS 46 Ca 0.32 -0.24 0.07 0.00 0.02 0.00 0.00 55.97 56.14 1smk s LYS 46 Cb -0.07 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.63 1smk s LYS 46 CO 0.22 -0.04 -0.23 0.08 -0.92 0.00 0.00 175.35 174.46 1smk s VAL 47 N 1.34 2.29 -0.04 3.17 1.01 0.27 0.43 120.40 128.88 1smk s VAL 47 Ca 0.08 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.07 1smk s VAL 47 Cb -0.14 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1smk s VAL 47 CO 0.07 0.55 -0.25 0.00 0.00 0.00 0.00 175.10 175.48 1smk s ALA 48 N -0.67 2.08 -0.21 5.51 0.00 0.15 -0.67 121.76 127.96 1smk s ALA 48 Ca 0.11 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1smk s ALA 48 Cb -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1smk s ALA 48 CO -0.00 0.46 -0.13 0.42 0.00 0.00 0.00 175.76 176.51 1smk s ILE 49 N -0.38 2.51 -0.37 0.00 1.01 -0.11 0.10 121.20 123.96 1smk s ILE 49 Ca 0.03 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 1smk s ILE 49 Cb -0.11 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1smk s ILE 49 CO 0.01 0.38 0.36 -0.76 0.00 0.00 0.00 174.94 174.92 1smk s LEU 50 N 1.31 4.67 0.00 2.97 1.43 0.08 -1.30 118.68 127.84 1smk s LEU 50 Ca 0.03 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1smk s LEU 50 Cb -0.15 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1smk s LEU 50 CO -0.08 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.70 1smk n GLY 51 N 5.05 1.20 0.00 -3.19 0.00 0.23 -1.78 105.19 106.70 1smk n GLY 51 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1smk n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk n ALA 52 N -0.19 1.64 0.84 4.61 0.00 -0.17 -2.96 120.51 124.26 1smk n ALA 52 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1smk n ALA 52 Cb 0.00 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.32 1smk n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smk n ALA 53 N -1.48 2.46 -1.96 0.00 0.00 -1.26 -2.18 120.51 116.09 1smk n ALA 53 Ca 0.04 -0.67 -0.21 0.00 0.00 0.00 0.00 53.44 52.60 1smk n ALA 53 Cb 0.15 -0.69 0.19 0.00 0.00 0.00 0.00 19.45 19.10 1smk n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 54 N 1.15 -1.23 0.25 0.00 0.00 -1.16 -4.69 105.19 99.52 1smk n GLY 54 Ca 0.12 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.40 1smk n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1smk h GLY 55 N -1.53 0.98 0.94 -0.02 0.00 -1.94 -1.87 103.07 99.63 1smk h GLY 55 Ca -0.40 -0.19 -0.30 0.00 0.00 0.00 0.00 47.33 46.44 1smk h GLY 55 CO 0.29 0.03 -1.41 -2.22 0.00 0.00 0.00 176.54 173.23 1smk h ILE 56 N 0.53 1.20 -0.39 2.60 2.04 -1.91 -3.39 117.51 118.19 1smk h ILE 56 Ca 0.33 -2.57 0.08 0.00 1.00 0.00 0.00 64.86 63.70 1smk h ILE 56 Cb 0.36 2.95 -0.08 0.00 -0.74 0.00 0.00 36.82 39.32 1smk h ILE 56 CO -0.28 0.79 -0.12 1.23 0.00 0.00 0.00 178.15 179.77 1smk h GLY 57 N 0.17 0.24 0.86 5.37 0.00 -1.61 -2.29 103.07 105.81 1smk h GLY 57 Ca -0.27 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1smk h GLY 57 CO 0.19 -0.16 -0.45 1.46 0.00 0.00 0.00 176.54 177.58 1smk h GLN 58 N -0.03 -1.10 -0.02 4.80 4.20 -0.84 0.41 115.11 122.53 1smk h GLN 58 Ca 0.19 0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.98 1smk h GLN 58 Cb 0.32 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 1smk h GLN 58 CO -0.42 -0.73 0.02 -1.00 -0.67 0.00 0.00 178.83 176.03 1smk h PRO 59 N -1.14 0.00 -0.29 1.46 0.13 -1.74 -0.46 132.00 129.95 1smk h PRO 59 Ca -0.10 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.91 1smk h PRO 59 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1smk h PRO 59 CO 0.12 0.00 -0.28 1.25 -0.23 0.00 0.00 178.00 178.86 1smk h LEU 60 N 0.00 0.75 -0.78 1.56 5.85 -0.77 -2.36 115.31 119.56 1smk h LEU 60 Ca 0.01 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 1smk h LEU 60 Cb 0.05 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1smk h LEU 60 CO -0.00 1.06 -0.20 0.00 -0.34 0.00 0.00 178.44 178.96 1smk h ALA 61 N 0.71 0.96 -0.71 1.25 0.00 0.13 -1.33 119.26 120.27 1smk h ALA 61 Ca 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1smk h ALA 61 Cb 0.85 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1smk h ALA 61 CO 0.07 0.61 0.37 1.98 0.00 0.00 0.00 179.25 182.28 1smk h MET 62 N 0.62 1.01 -0.06 0.00 1.85 -1.09 -0.77 114.93 116.50 1smk h MET 62 Ca 0.09 -0.13 -0.13 0.00 -0.61 0.00 0.00 59.70 58.92 1smk h MET 62 Cb 0.68 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.51 1smk h MET 62 CO 0.05 0.77 -0.57 -0.07 -0.40 0.00 0.00 176.91 176.69 1smk h LEU 63 N 0.99 0.20 -0.43 3.39 3.38 -1.12 -2.94 115.31 118.78 1smk h LEU 63 Ca 0.25 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 1smk h LEU 63 Cb 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1smk h LEU 63 CO -0.04 0.73 -0.65 0.24 0.09 0.00 0.00 178.44 178.81 1smk h MET 64 N 0.14 0.51 0.00 1.13 2.86 -0.91 -2.54 114.93 116.12 1smk h MET 64 Ca -0.00 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1smk h MET 64 Cb 1.05 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1smk h MET 64 CO 0.09 0.99 -0.04 -0.22 1.06 0.00 0.00 176.91 178.78 1smk h LYS 65 N 0.37 0.00 0.00 1.72 1.63 -1.04 -0.78 116.57 118.47 1smk h LYS 65 Ca -0.02 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1smk h LYS 65 Cb 1.22 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1smk h LYS 65 CO 0.12 0.04 -0.68 0.52 -3.45 0.00 0.00 179.45 176.00 1smk h MET 66 N 0.00 0.00 -6.26 1.90 2.86 -1.29 -3.39 114.93 108.76 1smk h MET 66 Ca -0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1smk h MET 66 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1smk h MET 66 CO 0.01 0.01 1.15 1.21 1.06 0.00 0.00 176.91 180.34 1smk s ASN 67 N -5.64 6.40 0.18 1.22 3.84 -0.30 -4.88 114.94 115.76 1smk s ASN 67 Ca 0.02 1.87 0.17 0.00 0.21 0.00 0.00 52.86 55.13 1smk s ASN 67 Cb 0.08 -2.53 0.78 0.00 -0.55 0.00 0.00 41.25 39.03 1smk s ASN 67 CO 0.75 -1.20 1.51 -0.81 -2.79 0.00 0.00 177.10 174.56 1smk n PRO 68 N 7.57 0.10 0.00 0.43 -0.04 -1.26 -1.68 135.00 140.13 1smk n PRO 68 Ca 0.19 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.26 1smk n PRO 68 Cb 0.44 -1.76 0.39 0.00 -0.04 0.00 0.00 33.50 32.53 1smk n PRO 68 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1smk n LEU 69 N -1.97 0.57 -4.56 1.53 4.77 -1.26 -4.78 117.00 111.30 1smk n LEU 69 Ca 0.01 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1smk n LEU 69 Cb 0.11 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1smk n LEU 69 CO 0.11 0.12 0.06 -0.69 -1.33 0.00 0.00 177.39 175.67 1smk s VAL 70 N -2.78 5.15 -0.14 4.08 1.01 -0.68 -0.13 120.40 126.91 1smk s VAL 70 Ca 0.18 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 1smk s VAL 70 Cb 0.19 -3.80 -0.24 0.00 0.00 0.00 0.00 36.38 32.52 1smk s VAL 70 CO 0.59 -0.04 0.32 -1.54 0.00 0.00 0.00 175.10 174.43 1smk n SER 71 N 5.41 2.06 -4.14 3.32 3.41 -0.13 -3.04 113.62 120.51 1smk n SER 71 Ca -0.08 0.26 -0.26 0.00 -0.26 0.00 0.00 58.87 58.53 1smk n SER 71 Cb 0.50 -0.89 -0.16 0.00 -0.26 0.00 0.00 64.21 63.40 1smk n SER 71 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1smk s VAL 72 N -2.51 1.46 -0.13 -3.33 1.01 -1.18 -0.43 120.40 115.29 1smk s VAL 72 Ca -0.24 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1smk s VAL 72 Cb 0.06 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1smk s VAL 72 CO 0.72 0.42 -0.06 -0.22 0.00 0.00 0.00 175.10 175.96 1smk s LEU 73 N 0.07 1.24 -0.26 3.92 2.96 0.10 -0.57 118.68 126.14 1smk s LEU 73 Ca -0.05 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 1smk s LEU 73 Cb -0.12 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 1smk s LEU 73 CO 0.03 -0.15 0.05 -1.00 -1.32 0.00 0.00 176.35 173.95 1smk s HIS 74 N 1.72 3.09 -0.23 5.38 3.76 0.16 -0.98 115.29 128.19 1smk s HIS 74 Ca 0.04 -0.79 -0.13 0.00 -0.15 0.00 0.00 55.06 54.02 1smk s HIS 74 Cb -0.13 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 1smk s HIS 74 CO -0.08 -0.50 0.28 -0.51 -0.85 0.00 0.00 174.74 173.08 1smk s LEU 75 N 1.53 4.13 0.04 0.89 1.43 0.10 -0.93 118.68 125.87 1smk s LEU 75 Ca 0.04 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.50 1smk s LEU 75 Cb -0.16 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1smk s LEU 75 CO 0.02 -0.02 -0.16 -0.47 0.23 0.00 0.00 176.35 175.94 1smk s TYR 76 N 1.26 1.44 0.05 0.29 5.04 -0.42 -0.55 117.35 124.46 1smk s TYR 76 Ca 0.13 -0.36 -0.28 0.00 -2.44 0.00 0.00 57.07 54.12 1smk s TYR 76 Cb -0.14 -0.85 0.10 0.00 0.35 0.00 0.00 41.96 41.42 1smk s TYR 76 CO 0.07 0.06 1.17 0.34 -1.34 0.00 0.00 175.55 175.84 1smk s ASP 77 N -1.18 -0.09 0.00 4.32 -1.08 -1.06 0.76 116.67 118.34 1smk s ASP 77 Ca 0.04 -0.25 0.24 0.00 -0.52 0.00 0.00 52.55 52.06 1smk s ASP 77 Cb -0.08 0.28 0.39 0.00 -1.46 0.00 0.00 42.92 42.05 1smk s ASP 77 CO 0.02 -0.53 1.33 1.33 0.52 0.00 0.00 175.17 177.84 1smk n VAL 78 N -0.51 0.01 -3.81 1.11 0.24 -1.26 -2.01 118.33 112.09 1smk n VAL 78 Ca -0.07 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 1smk n VAL 78 Cb 0.62 0.34 -0.07 0.00 -1.47 0.00 0.00 33.84 33.26 1smk n VAL 78 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1smk s VAL 79 N -3.01 0.12 -0.08 3.34 -7.23 -1.26 -4.48 120.40 107.81 1smk s VAL 79 Ca 0.10 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1smk s VAL 79 Cb 0.17 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1smk s VAL 79 CO 0.73 -0.56 0.00 0.59 -0.31 0.00 0.00 175.10 175.54 1smk n ASN 80 N 0.01 -1.87 -0.30 4.85 3.02 -1.26 -4.70 115.26 115.02 1smk n ASN 80 Ca -0.16 0.02 0.03 0.00 -0.03 0.00 0.00 54.58 54.44 1smk n ASN 80 Cb 0.62 -1.49 0.18 0.00 -0.61 0.00 0.00 39.78 38.48 1smk n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1smk h ALA 81 N 0.15 1.20 -0.74 5.41 0.00 -1.87 -2.63 119.26 120.78 1smk h ALA 81 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1smk h ALA 81 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1smk h ALA 81 CO 0.02 0.10 0.34 -1.35 0.00 0.00 0.00 179.25 178.35 1smk h PRO 82 N 0.80 1.08 -0.35 0.00 0.11 -1.90 -1.09 132.00 130.65 1smk h PRO 82 Ca 0.41 -0.17 -0.12 0.00 0.11 0.00 0.00 66.00 66.22 1smk h PRO 82 Cb 0.39 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1smk h PRO 82 CO -0.26 0.86 -0.29 0.78 -0.21 0.00 0.00 178.00 178.89 1smk h GLY 83 N 1.05 0.79 1.01 -0.55 0.00 -1.90 0.15 103.07 103.62 1smk h GLY 83 Ca 0.25 -0.71 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 1smk h GLY 83 CO -0.03 0.65 -0.31 -2.08 0.00 0.00 0.00 176.54 174.77 1smk h VAL 84 N 0.62 1.29 -0.12 4.60 2.07 -1.34 -2.60 116.25 120.77 1smk h VAL 84 Ca 0.08 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.13 1smk h VAL 84 Cb 0.80 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1smk h VAL 84 CO 0.07 0.48 0.06 0.74 0.02 0.00 0.00 177.57 178.93 1smk h THR 85 N 0.53 1.00 0.02 2.57 2.02 -1.05 -0.95 112.91 117.05 1smk h THR 85 Ca 0.05 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1smk h THR 85 Cb 0.88 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 1smk h THR 85 CO 0.08 0.02 -0.45 0.00 0.37 0.00 0.00 175.52 175.54 1smk h ALA 86 N 1.06 -0.76 -0.30 6.16 0.00 -0.89 0.26 119.26 124.79 1smk h ALA 86 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1smk h ALA 86 Cb 0.01 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1smk h ALA 86 CO -0.03 -1.01 -0.45 0.22 0.00 0.00 0.00 179.25 177.98 1smk h ASP 87 N -0.62 -1.45 -0.01 0.00 1.82 -1.30 -1.57 116.42 113.28 1smk h ASP 87 Ca 0.03 0.21 -0.03 0.00 -0.39 0.00 0.00 57.03 56.85 1smk h ASP 87 Cb 0.68 0.61 -0.01 0.00 0.68 0.00 0.00 39.33 41.30 1smk h ASP 87 CO -0.32 -0.40 -0.05 0.40 -1.61 0.00 0.00 179.24 177.26 1smk h ILE 88 N -0.41 1.11 0.00 2.25 2.04 -0.76 -2.76 117.51 118.99 1smk h ILE 88 Ca 0.10 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1smk h ILE 88 Cb 0.61 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1smk h ILE 88 CO -0.51 0.15 -0.05 0.77 0.00 0.00 0.00 178.15 178.51 1smk h SER 89 N 0.17 0.00 1.25 1.72 4.64 0.56 -2.22 113.55 119.66 1smk h SER 89 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1smk h SER 89 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1smk h SER 89 CO 0.01 0.05 0.00 0.45 -0.87 0.00 0.00 176.83 176.47 1smk h HIS 90 N 0.00 0.00 -2.78 4.77 3.86 -1.45 -3.44 115.15 116.11 1smk h HIS 90 Ca -0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1smk h HIS 90 Cb 0.14 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.62 1smk h HIS 90 CO 0.00 0.00 0.93 -1.64 0.86 0.00 0.00 177.93 178.08 1smk s MET 91 N -3.36 4.23 -1.40 2.45 1.00 -0.84 -4.88 119.30 116.51 1smk s MET 91 Ca 0.05 2.18 -0.11 0.00 0.00 0.00 0.00 55.69 57.81 1smk s MET 91 Cb 0.09 -3.60 -0.06 0.00 0.00 0.00 0.00 34.83 31.26 1smk s MET 91 CO 0.54 -0.67 2.57 -0.40 0.00 0.00 0.00 175.02 177.05 1smk n ASP 92 N 5.56 6.48 -4.66 3.03 5.75 -1.26 -4.88 116.55 126.57 1smk n ASP 92 Ca 0.15 -2.60 -0.29 0.00 -0.01 0.00 0.00 54.79 52.04 1smk n ASP 92 Cb 0.42 -1.47 -0.10 0.00 -1.03 0.00 0.00 41.12 38.94 1smk n ASP 92 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1smk s THR 93 N 2.84 1.77 0.19 2.12 -4.23 -1.26 -5.07 115.64 112.00 1smk s THR 93 Ca 0.58 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.98 1smk s THR 93 Cb 0.15 -2.76 0.11 0.00 1.34 0.00 0.00 72.50 71.35 1smk s THR 93 CO -0.05 0.00 1.84 1.23 -0.54 0.00 0.00 174.62 177.10 1smk h GLY 94 N 1.64 0.94 -4.11 3.99 0.00 -1.89 -3.44 103.07 100.20 1smk h GLY 94 Ca -0.44 -0.38 -0.53 0.00 0.00 0.00 0.00 47.33 45.98 1smk h GLY 94 CO 0.79 0.37 0.72 0.00 0.00 0.00 0.00 176.54 178.41 1smk s ALA 95 N -6.03 3.58 -0.14 3.60 0.00 -1.17 -4.89 121.76 116.71 1smk s ALA 95 Ca -0.13 1.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 1smk s ALA 95 Cb 0.14 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1smk s ALA 95 CO 0.77 -0.72 0.34 0.08 0.00 0.00 0.00 175.76 176.24 1smk s VAL 96 N -0.41 5.26 0.07 0.00 1.01 0.43 -4.90 120.40 121.85 1smk s VAL 96 Ca 0.56 0.66 0.06 0.00 0.00 0.00 0.00 61.98 63.26 1smk s VAL 96 Cb -0.41 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1smk s VAL 96 CO 0.47 0.39 -0.08 0.54 0.00 0.00 0.00 175.10 176.42 1smk s VAL 97 N 0.36 3.52 0.03 2.92 0.11 -1.26 0.01 120.40 126.09 1smk s VAL 97 Ca 0.19 -1.10 -0.04 0.00 -2.93 0.00 0.00 61.98 58.11 1smk s VAL 97 Cb -0.14 -2.62 -0.02 0.00 -1.53 0.00 0.00 36.38 32.08 1smk s VAL 97 CO 0.06 0.19 0.05 -0.13 -3.33 0.00 0.00 175.10 171.94 1smk s ARG 98 N -2.00 0.50 0.18 1.54 0.52 -0.15 -4.95 118.95 114.59 1smk s ARG 98 Ca 0.21 -0.74 0.08 0.00 -0.52 0.00 0.00 55.73 54.76 1smk s ARG 98 Cb -0.11 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 1smk s ARG 98 CO 0.13 -0.11 -0.07 0.20 0.02 0.00 0.00 175.30 175.46 1smk s GLY 99 N -1.97 1.73 -0.03 -3.53 0.00 -1.26 -0.72 107.32 101.53 1smk s GLY 99 Ca -0.07 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.20 1smk s GLY 99 CO -0.04 -1.46 0.06 -1.36 0.00 0.00 0.00 173.10 170.30 1smk s PHE 100 N -1.70 -0.02 -0.10 1.90 0.40 0.29 -4.92 117.98 113.82 1smk s PHE 100 Ca 0.25 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.84 1smk s PHE 100 Cb -0.09 -0.19 0.01 0.00 0.51 0.00 0.00 43.02 43.25 1smk s PHE 100 CO 0.16 -0.11 -0.21 -1.17 0.70 0.00 0.00 175.22 174.59 1smk s LEU 101 N 1.07 2.00 0.08 -0.37 2.96 -1.26 -2.58 118.68 120.59 1smk s LEU 101 Ca -0.09 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1smk s LEU 101 Cb -0.12 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.26 1smk s LEU 101 CO -0.04 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 1smk n GLY 102 N 3.74 -2.59 0.36 7.98 0.00 -0.85 -4.14 105.19 109.70 1smk n GLY 102 Ca -0.20 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1smk n GLY 102 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1smk h GLN 103 N -0.20 0.71 0.00 1.61 5.75 -1.96 -0.31 115.11 120.72 1smk h GLN 103 Ca -0.02 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1smk h GLN 103 Cb 0.19 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.58 1smk h GLN 103 CO 0.01 0.47 0.00 0.00 -2.65 0.00 0.00 178.83 176.66 1smk n GLN 104 N -4.72 0.01 0.00 1.69 0.00 -1.26 -1.88 117.38 111.22 1smk n GLN 104 Ca 0.23 0.51 0.01 0.00 0.00 0.00 0.00 57.00 57.75 1smk n GLN 104 Cb 0.58 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.28 1smk n GLN 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1smk n GLN 105 N -1.57 2.30 -0.27 2.61 6.02 -0.13 -4.70 117.38 121.65 1smk n GLN 105 Ca -0.00 -0.36 0.01 0.00 -0.01 0.00 0.00 57.00 56.64 1smk n GLN 105 Cb 0.00 -0.85 0.14 0.00 1.02 0.00 0.00 30.24 30.55 1smk n GLN 105 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1smk h LEU 106 N 0.25 0.59 -0.68 1.08 5.85 -1.30 0.34 115.31 121.45 1smk h LEU 106 Ca 0.00 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1smk h LEU 106 Cb 0.07 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1smk h LEU 106 CO 0.00 0.35 0.40 -0.08 -0.34 0.00 0.00 178.44 178.77 1smk h GLU 107 N 0.72 0.74 -0.33 1.25 4.81 -1.84 0.44 114.58 120.37 1smk h GLU 107 Ca 0.36 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1smk h GLU 107 Cb 0.31 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1smk h GLU 107 CO -0.23 0.49 -0.21 0.00 -0.73 0.00 0.00 179.01 178.32 1smk h ALA 108 N 1.32 1.03 -0.37 2.92 0.00 -1.49 -1.03 119.26 121.63 1smk h ALA 108 Ca 0.29 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1smk h ALA 108 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1smk h ALA 108 CO -0.15 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.39 1smk h ALA 109 N 1.22 0.54 0.24 0.00 0.00 -0.14 -3.35 119.26 117.78 1smk h ALA 109 Ca 0.08 -0.41 -0.33 0.00 0.00 0.00 0.00 54.91 54.25 1smk h ALA 109 Cb 0.66 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.36 1smk h ALA 109 CO 0.05 0.58 -1.48 -0.07 0.00 0.00 0.00 179.25 178.33 1smk h LEU 110 N 0.66 0.80 -9.22 0.00 3.38 -0.80 -3.45 115.31 106.68 1smk h LEU 110 Ca 0.07 -0.87 -0.70 0.00 0.09 0.00 0.00 57.88 56.48 1smk h LEU 110 Cb 0.88 -0.26 0.03 0.00 0.09 0.00 0.00 40.66 41.40 1smk h LEU 110 CO 0.08 1.68 0.75 0.41 0.09 0.00 0.00 178.44 181.45 1smk n THR 111 N -3.69 0.20 -0.18 0.22 -1.04 -0.40 -1.68 114.28 107.71 1smk n THR 111 Ca -0.16 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1smk n THR 111 Cb 1.10 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 1smk n THR 111 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1smk n GLY 112 N 3.55 1.50 3.77 3.41 0.00 -1.26 -5.02 105.19 111.15 1smk n GLY 112 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1smk n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1smk s MET 113 N -0.40 3.75 -0.15 1.61 1.00 -0.68 -4.81 119.30 119.63 1smk s MET 113 Ca 0.00 1.84 0.17 0.00 0.00 0.00 0.00 55.69 57.70 1smk s MET 113 Cb 0.00 -2.44 -0.25 0.00 0.00 0.00 0.00 34.83 32.14 1smk s MET 113 CO 0.00 -0.57 0.24 -0.25 0.00 0.00 0.00 175.02 174.44 1smk n ASP 114 N -0.44 0.21 -3.78 3.03 8.00 0.17 -4.43 116.55 119.31 1smk n ASP 114 Ca 0.07 0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 1smk n ASP 114 Cb 0.47 0.80 -0.15 0.00 -0.02 0.00 0.00 41.12 42.23 1smk n ASP 114 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1smk s LEU 115 N -5.57 1.10 -0.23 0.64 2.96 -0.80 -0.90 118.68 115.87 1smk s LEU 115 Ca -0.09 0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1smk s LEU 115 Cb 0.07 0.19 0.03 0.00 0.50 0.00 0.00 46.19 46.98 1smk s LEU 115 CO 0.83 -0.11 -0.11 -0.63 -1.32 0.00 0.00 176.35 175.01 1smk s ILE 116 N 0.84 2.52 -0.23 6.68 -1.09 0.75 -0.67 121.20 130.00 1smk s ILE 116 Ca -0.07 -1.08 -0.10 0.00 -2.23 0.00 0.00 60.65 57.17 1smk s ILE 116 Cb -0.09 -2.24 -0.05 0.00 -1.58 0.00 0.00 42.46 38.50 1smk s ILE 116 CO -0.03 0.28 0.15 -0.63 -1.23 0.00 0.00 174.94 173.47 1smk s ILE 117 N 1.28 5.34 -0.57 2.92 1.01 0.11 0.02 121.20 131.33 1smk s ILE 117 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1smk s ILE 117 Cb -0.16 -3.48 0.15 0.00 0.01 0.00 0.00 42.46 38.98 1smk s ILE 117 CO -0.07 0.37 0.35 -0.69 0.00 0.00 0.00 174.94 174.90 1smk s VAL 118 N 0.86 2.33 -2.42 2.92 1.01 0.11 -0.74 120.40 124.47 1smk s VAL 118 Ca 0.07 -3.49 0.23 0.00 0.00 0.00 0.00 61.98 58.80 1smk s VAL 118 Cb -0.13 -2.58 0.46 0.00 0.00 0.00 0.00 36.38 34.13 1smk s VAL 118 CO 0.03 -0.92 1.56 -0.81 0.00 0.00 0.00 175.10 174.96 1smk n PRO 119 N 2.75 1.84 -1.55 2.72 -0.04 -1.15 -1.16 135.00 138.41 1smk n PRO 119 Ca 0.13 -1.26 -0.53 0.00 -0.04 0.00 0.00 63.50 61.81 1smk n PRO 119 Cb 0.35 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1smk n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1smk n ALA 120 N 0.49 -1.77 0.00 0.55 0.00 -0.73 -4.57 120.51 114.48 1smk n ALA 120 Ca 0.17 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1smk n ALA 120 Cb 0.39 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1smk n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 121 N 2.06 3.13 3.74 0.00 0.00 -1.26 -4.44 105.19 108.41 1smk n GLY 121 Ca 0.18 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1smk n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smk s VAL 122 N -1.11 3.98 1.13 1.61 1.01 -1.26 -5.04 120.40 120.72 1smk s VAL 122 Ca 0.00 1.85 -0.15 0.00 0.00 0.00 0.00 61.98 63.68 1smk s VAL 122 Cb 0.00 -4.18 0.25 0.00 0.00 0.00 0.00 36.38 32.46 1smk s VAL 122 CO 0.00 0.38 1.07 -2.84 0.00 0.00 0.00 175.10 173.71 1smk s PRO 123 N -0.80 -0.63 -0.47 2.72 0.02 -1.26 -4.97 135.00 129.62 1smk s PRO 123 Ca 0.45 0.37 -0.11 0.00 0.02 0.00 0.00 61.00 61.73 1smk s PRO 123 Cb -0.28 -1.63 0.10 0.00 0.02 0.00 0.00 34.50 32.72 1smk s PRO 123 CO 0.34 -3.41 0.35 1.03 -0.33 0.00 0.00 177.00 174.98 1smk s ARG 124 N -4.99 2.69 0.04 5.54 0.52 -1.26 -4.93 118.95 116.56 1smk s ARG 124 Ca 0.68 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 1smk s ARG 124 Cb -0.17 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.32 1smk s ARG 124 CO 0.59 -1.11 0.00 1.63 0.02 0.00 0.00 175.30 176.43 1smk n LYS 125 N 5.02 0.00 -0.84 3.54 5.02 -1.26 -4.76 118.16 124.88 1smk n LYS 125 Ca -0.10 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.84 1smk n LYS 125 Cb 0.42 -0.19 -0.05 0.00 -0.02 0.00 0.00 35.03 35.18 1smk n LYS 125 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1smk n PRO 126 N -2.89 1.24 -3.76 1.97 -0.02 -1.26 -4.17 135.00 126.11 1smk n PRO 126 Ca 0.00 -1.49 -0.27 0.00 -2.02 0.00 0.00 63.50 59.72 1smk n PRO 126 Cb 0.00 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 30.85 1smk n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smk n GLY 127 N 4.38 -0.59 0.00 -1.23 0.00 -1.26 -4.95 105.19 101.54 1smk n GLY 127 Ca 0.43 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1smk n GLY 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1smk n MET 128 N -4.25 1.06 -0.84 1.61 2.81 -1.26 -4.45 117.12 111.81 1smk n MET 128 Ca -0.21 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 1smk n MET 128 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.15 1smk n MET 128 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1smk n THR 129 N -0.70 0.00 0.00 2.03 5.66 -1.26 -4.87 114.28 115.14 1smk n THR 129 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1smk n THR 129 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1smk n THR 129 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1smk n ARG 130 N -2.06 0.00 0.00 1.09 0.63 -1.26 -4.69 116.66 110.38 1smk n ARG 130 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1smk n ARG 130 Cb 0.00 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1smk n ARG 130 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1smk n ASP 131 N -0.63 0.00 0.28 6.15 2.03 -1.26 -4.36 116.55 118.76 1smk n ASP 131 Ca 0.00 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.48 1smk n ASP 131 Cb 0.00 -0.21 0.77 0.00 -0.72 0.00 0.00 41.12 40.97 1smk n ASP 131 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1smk h ASP 132 N 0.00 0.00 0.59 1.67 3.58 -2.00 -2.47 116.42 117.80 1smk h ASP 132 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1smk h ASP 132 Cb 0.00 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.06 1smk h ASP 132 CO 0.00 0.04 -0.28 0.25 -2.88 0.00 0.00 179.24 176.36 1smk h LEU 133 N 0.00 -0.67 -1.10 2.28 5.85 -1.90 -2.99 115.31 116.77 1smk h LEU 133 Ca -0.00 0.02 0.39 0.00 0.84 0.00 0.00 57.88 59.13 1smk h LEU 133 Cb 0.42 0.17 -0.16 0.00 0.37 0.00 0.00 40.66 41.46 1smk h LEU 133 CO 0.01 -0.35 0.63 0.15 -0.34 0.00 0.00 178.44 178.54 1smk h PHE 134 N -1.06 0.79 -0.53 1.25 3.57 -1.81 0.89 116.94 120.03 1smk h PHE 134 Ca -0.08 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 1smk h PHE 134 Cb 0.61 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1smk h PHE 134 CO 0.02 -0.31 0.02 0.87 -2.23 0.00 0.00 178.31 176.69 1smk h LYS 135 N 0.13 0.89 0.26 1.11 1.57 -1.45 0.11 116.57 119.19 1smk h LYS 135 Ca 0.80 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 59.33 1smk h LYS 135 Cb 2.14 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.35 1smk h LYS 135 CO -0.62 0.87 -0.12 0.82 -0.57 0.00 0.00 179.45 179.82 1smk h ILE 136 N 0.83 0.79 -0.79 1.86 2.04 0.91 -0.85 117.51 122.30 1smk h ILE 136 Ca 0.16 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1smk h ILE 136 Cb 0.46 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1smk h ILE 136 CO 0.02 0.12 0.52 0.78 0.00 0.00 0.00 178.15 179.59 1smk h ASN 137 N -0.65 0.91 -0.53 1.72 4.21 -1.20 0.13 115.58 120.16 1smk h ASN 137 Ca -0.04 -0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.42 1smk h ASN 137 Cb 0.46 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 1smk h ASN 137 CO 0.06 0.65 0.22 0.00 -1.29 0.00 0.00 177.43 177.07 1smk h ALA 138 N 1.29 0.69 -0.47 -0.83 0.00 -0.79 0.16 119.26 119.31 1smk h ALA 138 Ca 0.29 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1smk h ALA 138 Cb -0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1smk h ALA 138 CO -0.07 0.30 0.24 0.78 0.00 0.00 0.00 179.25 180.50 1smk h GLY 139 N 0.72 0.65 0.93 0.00 0.00 -0.28 0.29 103.07 105.37 1smk h GLY 139 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1smk h GLY 139 CO -0.02 0.12 -0.01 -2.22 0.00 0.00 0.00 176.54 174.41 1smk h ILE 140 N 0.48 1.03 -0.15 2.60 2.04 -0.17 -2.06 117.51 121.28 1smk h ILE 140 Ca 0.20 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1smk h ILE 140 Cb 0.09 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1smk h ILE 140 CO -0.13 0.04 0.10 0.58 0.00 0.00 0.00 178.15 178.74 1smk h VAL 141 N -0.11 1.03 0.65 1.67 2.07 -0.44 -2.35 116.25 118.77 1smk h VAL 141 Ca -0.00 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1smk h VAL 141 Cb 0.10 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1smk h VAL 141 CO 0.01 0.03 -0.31 0.50 0.02 0.00 0.00 177.57 177.82 1smk h LYS 142 N 0.19 -0.84 -0.39 1.57 3.64 -0.27 -1.52 116.57 118.95 1smk h LYS 142 Ca 0.06 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1smk h LYS 142 Cb -0.01 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1smk h LYS 142 CO -0.01 -0.53 0.17 1.79 -2.27 0.00 0.00 179.45 178.60 1smk h THR 143 N -1.00 1.18 -0.68 1.00 1.35 -1.22 -0.32 112.91 113.22 1smk h THR 143 Ca -0.09 -0.55 0.06 0.00 -0.55 0.00 0.00 66.41 65.29 1smk h THR 143 Cb 0.70 0.83 -0.06 0.00 -1.73 0.00 0.00 68.15 67.89 1smk h THR 143 CO 0.15 0.20 0.38 -0.07 -0.25 0.00 0.00 175.52 175.92 1smk h LEU 144 N 0.48 0.56 -1.11 3.87 3.38 -1.47 0.60 115.31 121.63 1smk h LEU 144 Ca 0.13 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1smk h LEU 144 Cb 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1smk h LEU 144 CO -0.01 0.36 -0.18 0.00 0.09 0.00 0.00 178.44 178.70 1smk h GLU 146 N 0.38 1.16 -0.48 0.00 5.08 0.62 0.18 114.58 121.53 1smk h GLU 146 Ca 0.07 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1smk h GLU 146 Cb 0.54 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1smk h GLU 146 CO 0.03 0.97 -0.07 0.78 -1.00 0.00 0.00 179.01 179.72 1smk h GLY 147 N 1.13 0.96 0.93 -3.84 0.00 -0.12 -1.54 103.07 100.59 1smk h GLY 147 Ca 0.25 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1smk h GLY 147 CO -0.01 0.70 0.11 -2.22 0.00 0.00 0.00 176.54 175.12 1smk h ILE 148 N 0.74 1.14 -0.50 2.60 2.04 -0.33 0.47 117.51 123.65 1smk h ILE 148 Ca 0.13 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1smk h ILE 148 Cb 0.61 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1smk h ILE 148 CO 0.04 0.14 0.34 0.00 0.00 0.00 0.00 178.15 178.66 1smk h ALA 149 N 0.98 1.88 0.14 1.87 0.00 -0.49 0.26 119.26 123.89 1smk h ALA 149 Ca 0.08 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 1smk h ALA 149 Cb 0.11 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1smk h ALA 149 CO -0.01 0.04 -1.24 -0.22 0.00 0.00 0.00 179.25 177.83 1smk h LYS 150 N 0.47 0.30 0.02 0.00 3.64 -0.67 -3.37 116.57 116.96 1smk h LYS 150 Ca 0.22 -0.51 -0.34 0.00 -1.27 0.00 0.00 60.65 58.75 1smk h LYS 150 Cb 0.26 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1smk h LYS 150 CO -0.06 1.24 -2.10 0.00 -2.27 0.00 0.00 179.45 176.27 1smk h PRO 153 N 2.97 0.00 -0.02 0.00 0.13 -1.62 -0.02 132.00 133.44 1smk h PRO 153 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1smk h PRO 153 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1smk h PRO 153 CO 0.45 0.00 -0.43 0.54 -0.23 0.00 0.00 178.00 178.32 1smk n ARG 154 N -2.73 1.34 -2.19 0.86 1.74 -1.26 -4.89 116.66 109.53 1smk n ARG 154 Ca -0.02 -1.00 -0.37 0.00 -0.77 0.00 0.00 57.85 55.69 1smk n ARG 154 Cb 0.38 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1smk n ARG 154 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1smk s ALA 155 N -2.35 2.91 0.25 7.54 0.00 -0.02 -4.99 121.76 125.09 1smk s ALA 155 Ca 0.18 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 1smk s ALA 155 Cb 0.17 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 1smk s ALA 155 CO 0.53 -0.78 1.09 0.42 0.00 0.00 0.00 175.76 177.02 1smk s ILE 156 N -1.54 3.64 -0.17 0.00 -1.09 -0.08 -4.89 121.20 117.08 1smk s ILE 156 Ca 0.66 1.58 -0.00 0.00 -2.23 0.00 0.00 60.65 60.66 1smk s ILE 156 Cb -0.30 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1smk s ILE 156 CO 0.35 0.35 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.57 1smk s VAL 157 N -0.90 2.62 -0.55 2.92 1.01 0.78 -0.18 120.40 126.09 1smk s VAL 157 Ca 0.46 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1smk s VAL 157 Cb -0.31 -2.12 0.14 0.00 0.00 0.00 0.00 36.38 34.10 1smk s VAL 157 CO 0.38 0.51 0.38 0.20 0.00 0.00 0.00 175.10 176.57 1smk s ASN 158 N 0.99 5.39 -0.26 3.32 0.02 0.10 -0.55 114.94 123.95 1smk s ASN 158 Ca -0.02 -2.49 -0.24 0.00 -1.02 0.00 0.00 52.86 49.09 1smk s ASN 158 Cb -0.15 -1.89 -0.00 0.00 0.02 0.00 0.00 41.25 39.23 1smk s ASN 158 CO -0.03 -0.47 0.83 -0.22 0.02 0.00 0.00 177.10 177.22 1smk s LEU 159 N 0.48 4.08 -0.05 0.60 2.96 0.28 -0.71 118.68 126.32 1smk s LEU 159 Ca 0.13 0.97 0.13 0.00 -0.22 0.00 0.00 54.13 55.13 1smk s LEU 159 Cb -0.21 -3.17 -0.19 0.00 0.50 0.00 0.00 46.19 43.11 1smk s LEU 159 CO -0.04 -0.54 0.22 -0.38 -1.32 0.00 0.00 176.35 174.29 1smk n ILE 160 N 5.32 0.24 -1.70 6.68 5.41 -0.31 -0.86 119.36 134.14 1smk n ILE 160 Ca 0.05 -0.37 -0.59 0.00 1.00 0.00 0.00 62.75 62.85 1smk n ILE 160 Cb 0.48 -0.06 -0.08 0.00 -0.71 0.00 0.00 39.64 39.27 1smk n ILE 160 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1smk n SER 161 N -2.10 2.19 -4.92 4.38 7.64 -0.67 -4.72 113.62 115.41 1smk n SER 161 Ca -0.08 1.06 -0.27 0.00 1.01 0.00 0.00 58.87 60.60 1smk n SER 161 Cb 0.51 -1.10 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 1smk n SER 161 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1smk s ASN 162 N 3.69 6.38 -0.12 6.43 0.01 -1.26 -3.45 114.94 126.62 1smk s ASN 162 Ca 1.00 0.53 -0.29 0.00 -0.71 0.00 0.00 52.86 53.39 1smk s ASN 162 Cb -1.14 -2.07 -0.02 0.00 0.41 0.00 0.00 41.25 38.44 1smk s ASN 162 CO 0.68 -0.18 1.27 -2.16 -1.51 0.00 0.00 177.10 175.20 1smk s PRO 163 N -3.71 4.26 0.37 -0.60 0.04 -1.26 -4.87 135.00 129.23 1smk s PRO 163 Ca 0.41 1.70 0.10 0.00 0.04 0.00 0.00 61.00 63.25 1smk s PRO 163 Cb -0.10 -3.71 0.85 0.00 0.04 0.00 0.00 34.50 31.58 1smk s PRO 163 CO 0.31 -0.64 1.90 0.28 0.04 0.00 0.00 177.00 178.90 1smk h VAL 164 N 5.34 0.87 0.00 -0.36 2.07 -1.84 -0.34 116.25 121.98 1smk h VAL 164 Ca -0.30 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1smk h VAL 164 Cb 1.13 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1smk h VAL 164 CO 0.94 0.12 0.02 0.78 0.02 0.00 0.00 177.57 179.44 1smk h ASN 165 N 0.64 0.00 0.00 0.57 2.35 -1.93 -2.54 115.58 114.67 1smk h ASN 165 Ca 0.39 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.98 1smk h ASN 165 Cb 0.63 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 1smk h ASN 165 CO -0.16 0.00 -1.62 -1.20 -1.65 0.00 0.00 177.43 172.80 1smk n SER 166 N -2.95 3.00 0.18 5.81 7.64 -0.29 -3.79 113.62 123.22 1smk n SER 166 Ca -0.03 -0.03 0.02 0.00 1.01 0.00 0.00 58.87 59.85 1smk n SER 166 Cb 0.08 0.24 0.32 0.00 -1.01 0.00 0.00 64.21 63.84 1smk n SER 166 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1smk h THR 167 N 0.00 1.21 -0.17 0.44 1.35 -1.05 -1.56 112.91 113.12 1smk h THR 167 Ca -0.24 -1.54 -0.03 0.00 -0.55 0.00 0.00 66.41 64.05 1smk h THR 167 Cb 1.46 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.72 1smk h THR 167 CO -0.01 0.42 -0.01 0.58 -0.25 0.00 0.00 175.52 176.25 1smk h VAL 168 N 0.00 1.26 -0.90 6.82 2.07 -1.71 0.83 116.25 124.63 1smk h VAL 168 Ca -0.00 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1smk h VAL 168 Cb 0.82 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1smk h VAL 168 CO 0.06 0.27 0.56 -0.65 0.02 0.00 0.00 177.57 177.82 1smk h PRO 169 N 0.05 1.21 -0.28 1.57 0.11 -1.75 0.34 132.00 133.25 1smk h PRO 169 Ca 0.05 -0.10 0.05 0.00 0.11 0.00 0.00 66.00 66.11 1smk h PRO 169 Cb 0.41 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 1smk h PRO 169 CO 0.01 0.83 -0.00 0.82 -0.21 0.00 0.00 178.00 179.45 1smk h ILE 170 N 1.23 0.80 0.19 4.15 2.04 -0.96 0.10 117.51 125.06 1smk h ILE 170 Ca 0.32 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.15 1smk h ILE 170 Cb -0.08 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1smk h ILE 170 CO -0.06 0.01 -0.13 0.00 0.00 0.00 0.00 178.15 177.97 1smk h ALA 171 N 1.24 -0.31 -0.57 1.87 0.00 -0.09 -0.91 119.26 120.49 1smk h ALA 171 Ca 0.13 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1smk h ALA 171 Cb 0.18 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1smk h ALA 171 CO -0.23 -0.68 0.09 0.00 0.00 0.00 0.00 179.25 178.44 1smk h ALA 172 N 0.47 0.64 -0.35 0.00 0.00 -0.41 -0.14 119.26 119.48 1smk h ALA 172 Ca -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1smk h ALA 172 Cb 0.28 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1smk h ALA 172 CO 0.01 -0.33 0.20 0.93 0.00 0.00 0.00 179.25 180.06 1smk h GLU 173 N 0.22 0.48 -0.97 0.00 4.39 -0.47 0.82 114.58 119.05 1smk h GLU 173 Ca 0.29 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.97 1smk h GLU 173 Cb 0.44 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 1smk h GLU 173 CO -0.40 0.38 0.63 0.28 -1.16 0.00 0.00 179.01 178.74 1smk h VAL 174 N 0.44 1.19 -0.42 3.13 2.07 -0.31 0.68 116.25 123.04 1smk h VAL 174 Ca 0.12 -0.43 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1smk h VAL 174 Cb 0.03 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.63 1smk h VAL 174 CO -0.02 0.23 -0.30 -0.26 0.02 0.00 0.00 177.57 177.23 1smk h PHE 175 N 1.25 1.11 -0.19 1.57 0.04 -0.67 -2.33 116.94 117.72 1smk h PHE 175 Ca 0.38 -0.30 0.02 0.00 2.80 0.00 0.00 57.97 60.86 1smk h PHE 175 Cb -0.05 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 1smk h PHE 175 CO -0.01 1.13 0.05 0.87 -0.60 0.00 0.00 178.31 179.75 1smk h LYS 176 N 0.77 0.13 0.00 1.51 1.57 -0.09 0.98 116.57 121.45 1smk h LYS 176 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1smk h LYS 176 Cb 0.89 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1smk h LYS 176 CO 0.08 0.09 0.00 -0.22 -0.57 0.00 0.00 179.45 178.83 1smk h LYS 177 N 0.14 0.00 0.00 3.15 3.64 -0.76 -1.36 116.57 121.38 1smk h LYS 177 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1smk h LYS 177 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1smk h LYS 177 CO -0.10 0.00 -1.11 0.00 -2.27 0.00 0.00 179.45 175.97 1smk n ALA 178 N -2.07 4.17 -2.70 5.00 0.00 -0.24 -4.99 120.51 119.69 1smk n ALA 178 Ca -0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 53.44 52.82 1smk n ALA 178 Cb 0.11 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 18.76 1smk n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 179 N 1.45 0.41 0.16 0.00 0.00 0.17 -4.94 105.19 102.43 1smk n GLY 179 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1smk n GLY 179 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1smk n THR 180 N -2.82 0.00 -2.43 2.61 -2.24 -0.89 -5.05 114.28 103.45 1smk n THR 180 Ca -0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 1smk n THR 180 Cb 0.53 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1smk n THR 180 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1smk s TYR 181 N 0.00 2.74 -0.33 4.78 5.04 -1.21 -4.92 117.35 123.45 1smk s TYR 181 Ca 0.00 0.91 0.03 0.00 -2.44 0.00 0.00 57.07 55.57 1smk s TYR 181 Cb 0.00 -3.83 0.10 0.00 0.35 0.00 0.00 41.96 38.58 1smk s TYR 181 CO 0.00 -1.66 0.05 0.34 -1.34 0.00 0.00 175.55 172.94 1smk s ASP 182 N 2.60 4.60 0.00 4.32 -1.08 -1.26 -4.97 116.67 120.88 1smk s ASP 182 Ca 0.55 -2.01 0.00 0.00 -0.52 0.00 0.00 52.55 50.58 1smk s ASP 182 Cb -0.17 -1.47 0.00 0.00 -1.46 0.00 0.00 42.92 39.82 1smk s ASP 182 CO 0.21 -0.38 0.78 -0.81 0.52 0.00 0.00 175.17 175.49 1smk n PRO 183 N 4.38 0.00 0.00 4.34 -0.04 -1.26 -0.61 135.00 141.80 1smk n PRO 183 Ca 0.02 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 1smk n PRO 183 Cb 0.42 -1.57 0.32 0.00 -0.04 0.00 0.00 33.50 32.63 1smk n PRO 183 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1smk n LYS 184 N -1.28 0.00 -0.08 0.54 5.02 -1.26 -4.07 118.16 117.03 1smk n LYS 184 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1smk n LYS 184 Cb 0.07 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.66 1smk n LYS 184 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1smk n ARG 185 N -1.51 2.14 -3.98 1.97 1.74 0.21 0.49 116.66 117.73 1smk n ARG 185 Ca 0.06 -1.61 -0.34 0.00 -0.77 0.00 0.00 57.85 55.19 1smk n ARG 185 Cb 0.34 -1.16 -0.15 0.00 -1.02 0.00 0.00 32.46 30.47 1smk n ARG 185 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1smk s LEU 186 N -0.89 2.90 -0.05 0.55 2.96 -1.24 -0.16 118.68 122.75 1smk s LEU 186 Ca 0.13 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1smk s LEU 186 Cb 0.07 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 45.14 1smk s LEU 186 CO 0.10 -0.08 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.23 1smk s LEU 187 N 1.35 1.41 -0.18 -0.68 1.02 0.29 -4.58 118.68 117.31 1smk s LEU 187 Ca 0.02 -0.18 -0.24 0.00 0.02 0.00 0.00 54.13 53.75 1smk s LEU 187 Cb -0.15 -0.57 -0.02 0.00 0.02 0.00 0.00 46.19 45.47 1smk s LEU 187 CO -0.06 -0.03 0.76 -0.83 0.02 0.00 0.00 176.35 176.21 1smk s GLY 188 N 0.88 2.08 -0.51 -3.19 0.00 0.31 -0.55 107.32 106.34 1smk s GLY 188 Ca -0.11 -0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.25 1smk s GLY 188 CO 0.01 1.55 1.43 0.14 0.00 0.00 0.00 173.10 176.23 1smk s VAL 189 N 2.07 3.81 -1.31 1.40 1.01 -0.04 -0.93 120.40 126.41 1smk s VAL 189 Ca 0.35 0.74 0.12 0.00 0.00 0.00 0.00 61.98 63.19 1smk s VAL 189 Cb -0.16 -4.33 0.19 0.00 0.00 0.00 0.00 36.38 32.09 1smk s VAL 189 CO 0.12 -1.00 1.05 0.35 0.00 0.00 0.00 175.10 175.61 1smk n THR 190 N 6.96 0.41 -0.33 3.92 -2.24 -1.26 -4.70 114.28 117.04 1smk n THR 190 Ca 0.14 -0.71 0.20 0.00 -2.27 0.00 0.00 64.05 61.42 1smk n THR 190 Cb 0.49 0.94 0.45 0.00 -2.10 0.00 0.00 70.33 70.12 1smk n THR 190 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1smk h MET 191 N 2.32 0.47 0.00 -0.78 -1.53 -1.86 -0.08 114.93 113.47 1smk h MET 191 Ca 0.00 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1smk h MET 191 Cb 0.61 -0.11 -0.00 0.00 -0.55 0.00 0.00 31.60 31.55 1smk h MET 191 CO 0.00 0.31 -0.05 1.25 0.14 0.00 0.00 176.91 178.56 1smk h LEU 192 N 0.48 0.00 -0.47 3.39 5.85 -1.88 -0.00 115.31 122.68 1smk h LEU 192 Ca 0.61 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 59.18 1smk h LEU 192 Cb 1.37 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1smk h LEU 192 CO -0.36 0.05 -0.33 0.44 -0.34 0.00 0.00 178.44 177.90 1smk h ASP 193 N 0.00 0.95 -0.52 1.25 3.32 -1.38 -1.05 116.42 119.00 1smk h ASP 193 Ca -0.00 -0.41 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 1smk h ASP 193 Cb 0.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1smk h ASP 193 CO 0.01 1.19 -0.05 0.58 -1.72 0.00 0.00 179.24 179.24 1smk h VAL 194 N 0.75 1.26 -0.17 -1.35 2.07 -1.19 0.48 116.25 118.11 1smk h VAL 194 Ca 0.07 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1smk h VAL 194 Cb 0.91 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1smk h VAL 194 CO 0.08 0.42 0.09 0.58 0.02 0.00 0.00 177.57 178.76 1smk h VAL 195 N 0.89 1.11 -0.07 2.57 2.07 -0.90 0.14 116.25 122.07 1smk h VAL 195 Ca 0.15 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1smk h VAL 195 Cb 0.59 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1smk h VAL 195 CO 0.04 0.11 0.04 0.03 0.02 0.00 0.00 177.57 177.80 1smk h ARG 196 N 0.16 0.10 -0.26 1.57 3.08 -1.04 -0.73 114.38 117.25 1smk h ARG 196 Ca 0.06 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1smk h ARG 196 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1smk h ARG 196 CO -0.01 0.13 -0.00 0.00 -1.07 0.00 0.00 179.97 179.02 1smk h ALA 197 N 0.96 0.23 -0.52 0.04 0.00 -0.71 0.36 119.26 119.62 1smk h ALA 197 Ca 0.02 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1smk h ALA 197 Cb 0.06 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1smk h ALA 197 CO -0.00 -0.42 0.25 -0.91 0.00 0.00 0.00 179.25 178.17 1smk h ASN 198 N 0.08 0.34 0.28 0.00 2.35 -0.50 0.18 115.58 118.31 1smk h ASN 198 Ca 0.12 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1smk h ASN 198 Cb 0.16 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1smk h ASN 198 CO -0.21 0.23 -0.14 0.74 -1.65 0.00 0.00 177.43 176.41 1smk h THR 199 N 0.48 0.76 -0.40 2.81 2.02 -0.49 -0.38 112.91 117.71 1smk h THR 199 Ca 0.23 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1smk h THR 199 Cb 0.17 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1smk h THR 199 CO -0.18 0.08 -0.02 -0.26 0.37 0.00 0.00 175.52 175.51 1smk h PHE 200 N -0.58 0.69 -0.37 3.16 0.04 -0.07 -1.19 116.94 118.62 1smk h PHE 200 Ca -0.04 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.57 1smk h PHE 200 Cb 0.42 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1smk h PHE 200 CO -0.01 0.67 -0.05 0.28 -0.60 0.00 0.00 178.31 178.60 1smk h VAL 201 N 0.62 1.27 -0.87 -0.55 2.07 -0.61 -2.12 116.25 116.06 1smk h VAL 201 Ca 0.12 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1smk h VAL 201 Cb 0.41 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1smk h VAL 201 CO 0.02 0.36 0.57 0.00 0.02 0.00 0.00 177.57 178.54 1smk h ALA 202 N 0.84 1.38 -0.59 1.67 0.00 -0.64 -0.07 119.26 121.85 1smk h ALA 202 Ca 0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1smk h ALA 202 Cb 0.54 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1smk h ALA 202 CO 0.03 0.58 0.15 0.93 0.00 0.00 0.00 179.25 180.93 1smk h GLU 203 N 1.18 0.94 -0.33 0.00 5.08 -0.96 0.39 114.58 120.88 1smk h GLU 203 Ca 0.32 -0.22 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 1smk h GLU 203 Cb -0.13 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1smk h GLU 203 CO -0.07 0.87 -0.47 0.28 -1.00 0.00 0.00 179.01 178.62 1smk h VAL 204 N 0.85 1.28 -0.00 3.13 2.07 -0.84 -3.04 116.25 119.70 1smk h VAL 204 Ca 0.19 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1smk h VAL 204 Cb 0.34 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1smk h VAL 204 CO 0.00 0.54 -0.09 0.18 0.02 0.00 0.00 177.57 178.22 1smk n LEU 205 N -4.03 0.34 -2.68 2.57 4.77 -0.09 -4.92 117.00 112.96 1smk n LEU 205 Ca -0.03 0.09 -0.18 0.00 -0.03 0.00 0.00 56.01 55.87 1smk n LEU 205 Cb 0.58 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1smk n LEU 205 CO 0.49 0.06 0.14 0.61 -1.33 0.00 0.00 177.39 177.36 1smk n GLY 206 N 1.30 -0.18 3.79 -0.72 0.00 0.10 -5.01 105.19 104.46 1smk n GLY 206 Ca 0.14 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1smk n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smk s LEU 207 N -5.56 2.66 -0.09 0.99 1.43 0.72 -5.03 118.68 113.81 1smk s LEU 207 Ca 0.38 -1.37 -0.24 0.00 -1.03 0.00 0.00 54.13 51.87 1smk s LEU 207 Cb -0.17 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1smk s LEU 207 CO 0.47 -0.82 0.76 -0.62 0.23 0.00 0.00 176.35 176.37 1smk s ASP 208 N -3.99 7.01 0.53 2.29 -1.08 -1.26 -4.52 116.67 115.65 1smk s ASP 208 Ca 0.25 1.22 0.27 0.00 -0.52 0.00 0.00 52.55 53.77 1smk s ASP 208 Cb 0.02 -2.44 1.42 0.00 -1.46 0.00 0.00 42.92 40.46 1smk s ASP 208 CO 0.14 -0.21 1.97 -0.65 0.52 0.00 0.00 175.17 176.95 1smk h PRO 209 N 6.94 0.00 0.00 4.34 0.11 -1.90 0.15 132.00 141.63 1smk h PRO 209 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1smk h PRO 209 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1smk h PRO 209 CO 0.77 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1smk h ARG 210 N 0.00 0.00 -0.48 1.05 3.08 -1.92 -2.77 114.38 113.34 1smk h ARG 210 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1smk h ARG 210 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1smk h ARG 210 CO -0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 1smk n ASP 211 N -2.57 4.63 -4.26 7.04 8.00 0.51 -4.95 116.55 124.94 1smk n ASP 211 Ca 0.01 -2.73 -0.29 0.00 0.71 0.00 0.00 54.79 52.49 1smk n ASP 211 Cb 0.25 -0.57 -0.16 0.00 -0.02 0.00 0.00 41.12 40.63 1smk n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1smk s VAL 212 N -2.36 1.83 -0.10 2.53 1.01 -1.05 -4.01 120.40 118.26 1smk s VAL 212 Ca 0.47 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1smk s VAL 212 Cb 0.34 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 35.23 1smk s VAL 212 CO 0.16 0.51 -0.05 -0.62 0.00 0.00 0.00 175.10 175.10 1smk s ASP 213 N -0.57 1.94 -0.23 3.32 2.15 0.32 -4.85 116.67 118.75 1smk s ASP 213 Ca 0.09 -0.23 0.01 0.00 0.43 0.00 0.00 52.55 52.86 1smk s ASP 213 Cb -0.09 -0.70 0.04 0.00 -0.30 0.00 0.00 42.92 41.87 1smk s ASP 213 CO -0.01 -0.14 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.04 1smk s VAL 214 N 1.74 2.29 0.28 1.11 1.01 -1.26 -0.96 120.40 124.60 1smk s VAL 214 Ca 0.04 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1smk s VAL 214 Cb -0.13 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 1smk s VAL 214 CO -0.07 0.21 1.29 -2.84 0.00 0.00 0.00 175.10 173.70 1smk s PRO 215 N 1.21 4.40 -0.09 2.72 0.02 -1.26 -4.84 135.00 137.16 1smk s PRO 215 Ca -0.02 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.12 1smk s PRO 215 Cb -0.17 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.24 1smk s PRO 215 CO -0.08 -0.17 -0.10 0.08 -0.33 0.00 0.00 177.00 176.40 1smk s VAL 216 N -0.67 1.10 0.44 3.83 1.01 -1.26 -0.11 120.40 124.74 1smk s VAL 216 Ca 0.51 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1smk s VAL 216 Cb -0.38 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1smk s VAL 216 CO 0.46 0.37 0.02 0.68 0.00 0.00 0.00 175.10 176.63 1smk s VAL 217 N 1.24 1.46 0.00 2.92 -7.23 0.12 -4.41 120.40 114.50 1smk s VAL 217 Ca -0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1smk s VAL 217 Cb -0.14 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1smk s VAL 217 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1smk n GLY 218 N -1.04 0.98 0.33 2.32 0.00 -0.19 -1.00 105.19 106.58 1smk n GLY 218 Ca -0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 1smk n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smk n GLY 219 N 0.00 4.06 0.69 -0.02 0.00 0.49 -0.34 105.19 110.07 1smk n GLY 219 Ca 0.00 -2.03 0.06 0.00 0.00 0.00 0.00 46.02 44.06 1smk n GLY 219 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1smk n HIS 220 N -0.10 0.46 -4.04 1.61 -0.00 -1.26 -3.93 115.22 107.96 1smk n HIS 220 Ca -0.01 -0.44 -0.19 0.00 0.46 0.00 0.00 57.72 57.55 1smk n HIS 220 Cb 0.06 -0.02 -0.16 0.00 -0.12 0.00 0.00 29.99 29.75 1smk n HIS 220 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1smk s ALA 221 N -1.01 0.52 0.00 1.57 0.00 -1.26 -4.92 121.76 116.66 1smk s ALA 221 Ca 0.25 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1smk s ALA 221 Cb 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1smk s ALA 221 CO 0.17 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1smk n GLY 222 N 4.14 2.40 0.00 0.00 0.00 -1.24 -1.31 105.19 109.17 1smk n GLY 222 Ca -0.25 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.60 1smk n GLY 222 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1smk n VAL 223 N 0.00 0.19 0.16 1.61 0.24 -1.26 -0.18 118.33 119.10 1smk n VAL 223 Ca 0.00 0.05 0.09 0.00 -2.04 0.00 0.00 64.34 62.43 1smk n VAL 223 Cb 0.00 -0.98 0.08 0.00 -1.47 0.00 0.00 33.84 31.46 1smk n VAL 223 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1smk h THR 224 N 0.00 0.24 -3.15 3.34 1.03 -1.49 -3.30 112.91 109.58 1smk h THR 224 Ca 0.00 -1.37 -0.58 0.00 -0.01 0.00 0.00 66.41 64.44 1smk h THR 224 Cb 0.01 1.99 -0.07 0.00 -1.07 0.00 0.00 68.15 69.01 1smk h THR 224 CO 0.00 0.14 0.69 -0.63 -0.01 0.00 0.00 175.52 175.71 1smk s ILE 225 N -3.16 4.73 -0.34 0.00 1.01 0.75 -0.38 121.20 123.81 1smk s ILE 225 Ca 0.04 1.88 0.02 0.00 0.00 0.00 0.00 60.65 62.58 1smk s ILE 225 Cb 0.07 -4.25 0.10 0.00 0.01 0.00 0.00 42.46 38.40 1smk s ILE 225 CO 0.73 -0.14 0.09 -0.22 0.00 0.00 0.00 174.94 175.40 1smk s LEU 226 N 3.07 3.54 -0.10 2.97 2.96 -0.17 -4.76 118.68 126.19 1smk s LEU 226 Ca 0.41 -2.01 -0.28 0.00 -0.22 0.00 0.00 54.13 52.03 1smk s LEU 226 Cb -0.15 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 1smk s LEU 226 CO 0.06 -0.38 0.94 -2.16 -1.32 0.00 0.00 176.35 173.49 1smk s PRO 227 N 1.11 4.42 -1.23 0.98 0.04 -1.26 0.15 135.00 139.22 1smk s PRO 227 Ca 0.11 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.28 1smk s PRO 227 Cb -0.19 -3.53 0.16 0.00 0.04 0.00 0.00 34.50 30.98 1smk s PRO 227 CO -0.14 -0.25 1.49 1.28 0.04 0.00 0.00 177.00 179.42 1smk n LEU 228 N 4.78 5.21 0.20 -3.56 4.77 0.85 -4.81 117.00 124.44 1smk n LEU 228 Ca 0.07 -4.39 0.14 0.00 -0.03 0.00 0.00 56.01 51.80 1smk n LEU 228 Cb 0.49 -1.64 0.73 0.00 -2.33 0.00 0.00 43.42 40.68 1smk n LEU 228 CO 0.51 0.66 1.12 -0.07 -1.33 0.00 0.00 177.39 178.27 1smk h LEU 229 N 10.09 0.00 0.00 2.23 3.38 -1.93 0.11 115.31 129.19 1smk h LEU 229 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1smk h LEU 229 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1smk h LEU 229 CO 1.28 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.27 1smk n SER 230 N -4.24 0.00 -0.06 -0.43 3.41 -1.26 -2.55 113.62 108.48 1smk n SER 230 Ca 0.01 0.05 0.06 0.00 -0.26 0.00 0.00 58.87 58.73 1smk n SER 230 Cb 0.25 -0.30 0.08 0.00 -0.26 0.00 0.00 64.21 63.98 1smk n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smk n GLN 231 N -1.30 1.80 -1.82 4.33 6.02 0.36 -5.05 117.38 121.73 1smk n GLN 231 Ca 0.08 -2.10 -0.33 0.00 -0.01 0.00 0.00 57.00 54.65 1smk n GLN 231 Cb 0.15 -1.26 0.04 0.00 1.02 0.00 0.00 30.24 30.19 1smk n GLN 231 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1smk s VAL 232 N -2.05 3.28 -0.02 5.09 0.11 -1.06 -4.58 120.40 121.18 1smk s VAL 232 Ca 0.19 0.61 0.05 0.00 -2.93 0.00 0.00 61.98 59.90 1smk s VAL 232 Cb 0.17 -3.14 -0.01 0.00 -1.53 0.00 0.00 36.38 31.87 1smk s VAL 232 CO 0.02 -0.35 -0.16 -0.54 -3.33 0.00 0.00 175.10 170.73 1smk s LYS 233 N -4.03 1.38 0.88 1.54 1.02 -0.14 -3.99 119.74 116.40 1smk s LYS 233 Ca 0.67 -0.59 -0.12 0.00 0.02 0.00 0.00 55.97 55.96 1smk s LYS 233 Cb -0.20 -1.31 0.12 0.00 -0.52 0.00 0.00 37.83 35.91 1smk s LYS 233 CO 0.40 0.34 1.10 -1.25 -0.92 0.00 0.00 175.35 175.02 1smk s PRO 234 N -0.34 1.42 0.12 -1.68 0.04 -1.26 -0.52 135.00 132.77 1smk s PRO 234 Ca 0.05 0.65 -0.35 0.00 0.04 0.00 0.00 61.00 61.39 1smk s PRO 234 Cb -0.07 -1.84 -0.16 0.00 0.04 0.00 0.00 34.50 32.47 1smk s PRO 234 CO -0.00 -2.09 1.28 -2.30 0.04 0.00 0.00 177.00 173.93 1smk n PRO 235 N -3.75 1.15 -3.78 0.56 -0.02 -1.26 -4.94 135.00 122.96 1smk n PRO 235 Ca 0.07 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1smk n PRO 235 Cb 0.56 -2.01 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1smk n PRO 235 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1smk s SER 236 N 0.31 -0.13 0.02 2.55 0.01 -1.26 -5.14 113.70 110.06 1smk s SER 236 Ca 0.80 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 57.57 1smk s SER 236 Cb -0.92 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 1smk s SER 236 CO 0.49 -0.93 -0.20 -0.94 0.41 0.00 0.00 173.24 172.08 1smk s SER 237 N -2.88 2.32 0.05 2.44 1.04 -1.26 -4.99 113.70 110.42 1smk s SER 237 Ca 0.09 -0.44 0.09 0.00 0.48 0.00 0.00 55.95 56.17 1smk s SER 237 Cb 0.01 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 1smk s SER 237 CO -0.05 0.19 -0.24 -0.36 0.98 0.00 0.00 173.24 173.75 1smk s PHE 238 N -0.65 2.14 0.76 5.02 0.08 -1.26 -5.12 117.98 118.95 1smk s PHE 238 Ca 0.07 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.61 1smk s PHE 238 Cb -0.08 -1.28 0.05 0.00 -0.57 0.00 0.00 43.02 41.14 1smk s PHE 238 CO 0.01 0.12 1.08 0.95 -0.10 0.00 0.00 175.22 177.28 1smk s THR 239 N -0.81 3.39 0.22 0.64 -4.23 -1.26 -4.83 115.64 108.76 1smk s THR 239 Ca 0.10 0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 60.99 1smk s THR 239 Cb -0.10 -3.20 0.18 0.00 1.34 0.00 0.00 72.50 70.72 1smk s THR 239 CO 0.02 -0.59 1.86 -0.61 -0.54 0.00 0.00 174.62 174.76 1smk h GLN 240 N -0.96 0.92 -0.53 3.99 4.15 -2.00 -1.77 115.11 118.92 1smk h GLN 240 Ca -0.46 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 58.97 1smk h GLN 240 Cb 1.25 -0.21 -0.06 0.00 0.21 0.00 0.00 27.48 28.67 1smk h GLN 240 CO 0.59 0.61 0.21 1.49 -1.93 0.00 0.00 178.83 179.80 1smk h GLU 241 N 0.95 0.40 -0.33 1.69 4.22 -2.00 -2.46 114.58 117.05 1smk h GLU 241 Ca 0.32 -0.02 -0.16 0.00 0.08 0.00 0.00 59.36 59.58 1smk h GLU 241 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1smk h GLU 241 CO -0.13 0.26 -0.43 0.93 -2.18 0.00 0.00 179.01 177.46 1smk h GLU 242 N 0.41 0.83 -0.72 1.92 5.08 -1.80 -2.06 114.58 118.24 1smk h GLU 242 Ca 0.25 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1smk h GLU 242 Cb 0.25 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1smk h GLU 242 CO -0.23 1.09 0.46 0.82 -1.00 0.00 0.00 179.01 180.14 1smk h ILE 243 N 0.67 1.11 -0.06 3.13 2.04 -1.00 0.11 117.51 123.51 1smk h ILE 243 Ca 0.05 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.46 1smk h ILE 243 Cb 1.01 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1smk h ILE 243 CO 0.10 0.16 -0.51 -1.28 0.00 0.00 0.00 178.15 176.62 1smk h SER 244 N 0.90 0.56 0.19 1.72 0.87 -1.44 -1.94 113.55 114.41 1smk h SER 244 Ca 0.29 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1smk h SER 244 Cb 0.00 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1smk h SER 244 CO -0.10 1.16 -0.17 0.22 -0.53 0.00 0.00 176.83 177.40 1smk h TYR 245 N -0.00 -0.45 0.18 2.24 3.20 -1.21 -1.44 116.97 119.49 1smk h TYR 245 Ca -0.05 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1smk h TYR 245 Cb 1.18 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 1smk h TYR 245 CO 0.13 -0.26 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.10 1smk h LEU 246 N -0.39 -0.58 -0.38 2.82 3.38 -0.84 -0.25 115.31 119.08 1smk h LEU 246 Ca -0.00 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1smk h LEU 246 Cb 0.36 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1smk h LEU 246 CO -0.03 -0.31 0.14 0.74 0.09 0.00 0.00 178.44 179.07 1smk h THR 247 N -0.44 0.91 -0.62 0.22 2.02 -1.30 0.11 112.91 113.80 1smk h THR 247 Ca 0.01 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1smk h THR 247 Cb 0.43 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1smk h THR 247 CO -0.07 0.06 0.19 0.44 0.37 0.00 0.00 175.52 176.51 1smk h ASP 248 N 0.31 0.88 -0.29 4.18 3.32 -1.12 -1.24 116.42 122.45 1smk h ASP 248 Ca 0.17 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1smk h ASP 248 Cb 0.13 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1smk h ASP 248 CO -0.16 0.83 -0.09 -0.09 -1.72 0.00 0.00 179.24 178.00 1smk h ARG 249 N 0.92 0.58 -0.41 3.56 2.43 -0.24 -2.44 114.38 118.78 1smk h ARG 249 Ca 0.21 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1smk h ARG 249 Cb 0.26 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1smk h ARG 249 CO -0.01 0.78 0.23 0.82 -1.51 0.00 0.00 179.97 180.29 1smk h ILE 250 N 0.33 1.14 0.00 1.20 2.04 -0.59 0.21 117.51 121.84 1smk h ILE 250 Ca 0.07 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1smk h ILE 250 Cb 0.58 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1smk h ILE 250 CO 0.03 0.15 -0.01 1.56 0.00 0.00 0.00 178.15 179.88 1smk h GLN 251 N 0.53 0.00 -0.15 2.37 4.20 -1.14 -2.92 115.11 118.00 1smk h GLN 251 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1smk h GLN 251 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1smk h GLN 251 CO -0.02 0.01 0.00 0.09 -0.67 0.00 0.00 178.83 178.24 1smk n ASN 252 N -4.41 2.50 -0.28 1.46 3.02 -0.93 -3.72 115.26 112.89 1smk n ASN 252 Ca -0.03 -2.15 0.32 0.00 -0.03 0.00 0.00 54.58 52.69 1smk n ASN 252 Cb 0.10 -0.16 0.71 0.00 -0.61 0.00 0.00 39.78 39.83 1smk n ASN 252 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1smk h GLY 253 N 0.89 0.16 0.64 7.41 0.00 -0.40 -1.34 103.07 110.43 1smk h GLY 253 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.33 1smk h GLY 253 CO 0.01 -0.02 -0.09 -1.33 0.00 0.00 0.00 176.54 175.12 1smk h GLY 254 N 0.05 -0.01 2.00 4.60 0.00 -1.83 -2.01 103.07 105.87 1smk h GLY 254 Ca 0.53 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1smk h GLY 254 CO -0.04 -0.10 0.00 -0.91 0.00 0.00 0.00 176.54 175.48 1smk h THR 255 N -0.11 0.00 -0.65 4.70 1.35 -1.62 -2.27 112.91 114.32 1smk h THR 255 Ca 0.07 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1smk h THR 255 Cb 0.21 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 1smk h THR 255 CO -0.16 0.00 0.41 -0.33 -0.25 0.00 0.00 175.52 175.18 1smk h GLU 256 N 0.00 0.87 -0.00 4.72 5.08 -1.32 0.71 114.58 124.63 1smk h GLU 256 Ca 0.00 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 1smk h GLU 256 Cb 0.32 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1smk h GLU 256 CO 0.00 0.60 -0.98 0.28 -1.00 0.00 0.00 179.01 177.91 1smk h VAL 257 N 0.88 1.35 -0.65 3.13 2.07 -1.45 -2.20 116.25 119.38 1smk h VAL 257 Ca 0.23 -2.36 -0.04 0.00 0.82 0.00 0.00 66.70 65.35 1smk h VAL 257 Cb -0.06 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1smk h VAL 257 CO -0.05 0.72 0.22 0.58 0.02 0.00 0.00 177.57 179.06 1smk h VAL 258 N 0.30 1.23 -0.24 2.57 2.07 -1.27 -1.80 116.25 119.12 1smk h VAL 258 Ca -0.10 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1smk h VAL 258 Cb 1.63 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1smk h VAL 258 CO 0.18 0.31 0.05 -0.08 0.02 0.00 0.00 177.57 178.04 1smk h GLU 259 N 0.94 0.39 0.00 1.57 4.22 -0.80 0.22 114.58 121.13 1smk h GLU 259 Ca 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1smk h GLU 259 Cb 0.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1smk h GLU 259 CO -0.01 0.51 0.00 0.00 -2.18 0.00 0.00 179.01 177.33 1smk h ALA 260 N 0.86 1.00 -0.53 2.92 0.00 -0.99 -1.42 119.26 121.10 1smk h ALA 260 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 1smk h ALA 260 Cb 0.30 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.92 1smk h ALA 260 CO 0.00 0.00 0.05 1.63 0.00 0.00 0.00 179.25 180.93 1smk n LYS 261 N -3.06 2.08 -3.18 0.00 5.02 -0.71 -4.95 118.16 113.36 1smk n LYS 261 Ca -0.02 -3.24 -0.17 0.00 -2.02 0.00 0.00 58.31 52.85 1smk n LYS 261 Cb 0.10 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.15 1smk n LYS 261 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1smk n ALA 262 N -1.09 -1.04 -1.04 7.82 0.00 -0.54 -0.13 120.51 124.49 1smk n ALA 262 Ca 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 1smk n ALA 262 Cb 1.12 -1.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1smk n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 263 N -0.85 0.40 0.07 0.00 0.00 0.72 -4.88 105.19 100.65 1smk n GLY 263 Ca 0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1smk n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk h ALA 264 N 0.00 0.58 -3.16 4.61 0.00 -0.74 -3.49 119.26 117.05 1smk h ALA 264 Ca -0.03 -1.23 -0.09 0.00 0.00 0.00 0.00 54.91 53.56 1smk h ALA 264 Cb 0.49 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1smk h ALA 264 CO 0.04 1.43 -0.07 0.41 0.00 0.00 0.00 179.25 181.06 1smk n GLY 265 N 1.48 3.18 3.37 0.00 0.00 -1.25 -4.92 105.19 107.05 1smk n GLY 265 Ca -0.10 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 1smk n GLY 265 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1smk s SER 266 N -1.60 1.42 0.19 1.61 1.04 -1.26 -4.22 113.70 110.88 1smk s SER 266 Ca 0.09 -1.67 -0.33 0.00 0.48 0.00 0.00 55.95 54.52 1smk s SER 266 Cb 0.00 0.61 -0.13 0.00 0.10 0.00 0.00 66.02 66.60 1smk s SER 266 CO 0.06 -1.17 1.60 0.00 0.98 0.00 0.00 173.24 174.71 1smk n ALA 267 N -0.61 1.80 0.00 5.32 0.00 -1.26 -4.85 120.51 120.91 1smk n ALA 267 Ca 0.05 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1smk n ALA 267 Cb 0.62 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1smk n ALA 267 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1smk n THR 268 N 3.34 0.00 0.18 0.00 -2.24 -1.26 -4.65 114.28 109.65 1smk n THR 268 Ca 0.16 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.80 1smk n THR 268 Cb 0.31 -1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 67.45 1smk n THR 268 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1smk h LEU 269 N 0.00 -0.38 -1.56 3.22 3.38 -1.89 0.11 115.31 118.20 1smk h LEU 269 Ca 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1smk h LEU 269 Cb 0.54 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1smk h LEU 269 CO 0.00 -0.09 0.10 0.77 0.09 0.00 0.00 178.44 179.31 1smk h SER 270 N -0.67 0.35 -0.03 -0.43 4.64 -1.98 0.27 113.55 115.69 1smk h SER 270 Ca -0.05 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1smk h SER 270 Cb 0.47 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1smk h SER 270 CO 0.07 0.33 0.01 -0.03 -0.87 0.00 0.00 176.83 176.34 1smk h MET 271 N 0.39 0.04 -0.39 4.77 1.85 -1.77 0.13 114.93 119.94 1smk h MET 271 Ca 0.10 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.21 1smk h MET 271 Cb 0.10 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.09 1smk h MET 271 CO -0.01 0.26 0.19 0.00 -0.40 0.00 0.00 176.91 176.95 1smk h ALA 272 N 0.78 0.49 -0.51 0.39 0.00 0.13 0.19 119.26 120.73 1smk h ALA 272 Ca 0.01 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1smk h ALA 272 Cb 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1smk h ALA 272 CO 0.00 -0.18 0.25 -0.92 0.00 0.00 0.00 179.25 178.40 1smk h TYR 273 N 0.38 0.46 -0.23 0.00 3.20 -0.29 -1.39 116.97 119.09 1smk h TYR 273 Ca 0.17 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1smk h TYR 273 Cb 0.09 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1smk h TYR 273 CO -0.11 0.21 0.02 0.00 -1.64 0.00 0.00 178.16 176.64 1smk h ALA 274 N 1.28 0.31 -0.86 1.82 0.00 0.15 -1.53 119.26 120.44 1smk h ALA 274 Ca 0.23 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1smk h ALA 274 Cb 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1smk h ALA 274 CO -0.17 0.02 0.55 0.00 0.00 0.00 0.00 179.25 179.65 1smk h ALA 275 N 0.82 1.13 -0.40 0.00 0.00 -0.46 -0.05 119.26 120.30 1smk h ALA 275 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1smk h ALA 275 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1smk h ALA 275 CO 0.01 0.40 -0.22 0.28 0.00 0.00 0.00 179.25 179.71 1smk h VAL 276 N 1.08 1.27 -0.71 0.00 2.07 -1.14 0.62 116.25 119.43 1smk h VAL 276 Ca 0.34 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1smk h VAL 276 Cb -0.00 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1smk h VAL 276 CO -0.11 0.45 0.28 0.50 0.02 0.00 0.00 177.57 178.70 1smk h LYS 277 N 0.69 1.06 -0.15 1.57 3.64 -0.49 0.27 116.57 123.16 1smk h LYS 277 Ca 0.10 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 1smk h LYS 277 Cb 0.74 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1smk h LYS 277 CO 0.06 0.87 -0.29 0.35 -2.27 0.00 0.00 179.45 178.16 1smk h PHE 278 N 1.04 0.59 -0.71 1.91 3.57 -0.52 -2.44 116.94 120.38 1smk h PHE 278 Ca 0.24 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1smk h PHE 278 Cb 0.21 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1smk h PHE 278 CO 0.02 0.92 0.45 0.00 -2.23 0.00 0.00 178.31 177.47 1smk h ALA 279 N 0.56 0.90 -0.64 2.41 0.00 0.51 -0.38 119.26 122.62 1smk h ALA 279 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1smk h ALA 279 Cb 0.88 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1smk h ALA 279 CO 0.07 0.35 0.42 0.22 0.00 0.00 0.00 179.25 180.30 1smk h ASP 280 N 0.96 0.64 -0.41 0.00 3.58 -0.44 0.41 116.42 121.16 1smk h ASP 280 Ca 0.26 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.63 1smk h ASP 280 Cb -0.07 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 1smk h ASP 280 CO -0.05 0.44 -0.02 0.00 -2.88 0.00 0.00 179.24 176.72 1smk h ALA 281 N 1.63 0.55 -0.73 -0.78 0.00 -0.61 -0.29 119.26 119.03 1smk h ALA 281 Ca 0.26 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1smk h ALA 281 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1smk h ALA 281 CO -0.07 0.36 0.32 0.00 0.00 0.00 0.00 179.25 179.86 1smk h LEU 283 N 1.04 0.70 -2.05 0.00 3.38 -0.69 0.33 115.31 118.03 1smk h LEU 283 Ca 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1smk h LEU 283 Cb 0.17 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1smk h LEU 283 CO -0.03 0.69 -0.08 0.03 0.09 0.00 0.00 178.44 179.14 1smk h ARG 284 N 0.67 0.00 -0.05 1.13 3.08 -0.76 -0.29 114.38 118.17 1smk h ARG 284 Ca 0.17 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 1smk h ARG 284 Cb 0.22 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1smk h ARG 284 CO -0.01 0.08 -0.43 0.78 -1.07 0.00 0.00 179.97 179.32 1smk h GLY 285 N 0.76 0.42 2.00 0.04 0.00 0.21 -1.91 103.07 104.59 1smk h GLY 285 Ca -0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1smk h GLY 285 CO 0.01 0.57 -0.21 1.41 0.00 0.00 0.00 176.54 178.32 1smk h LEU 286 N -0.11 0.00 -1.22 3.11 3.38 -0.14 -1.41 115.31 118.91 1smk h LEU 286 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1smk h LEU 286 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1smk h LEU 286 CO 0.09 0.21 -0.27 -0.09 0.09 0.00 0.00 178.44 178.47 1smk h ARG 287 N 0.00 0.00 0.00 1.13 2.43 -1.02 -3.43 114.38 113.49 1smk h ARG 287 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1smk h ARG 287 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1smk h ARG 287 CO 0.03 0.27 0.00 0.41 -1.51 0.00 0.00 179.97 179.17 1smk n GLY 288 N -0.04 0.92 3.65 2.80 0.00 -0.56 -5.07 105.19 106.90 1smk n GLY 288 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1smk n GLY 288 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smk n ASP 289 N 0.00 1.43 -4.93 1.61 9.92 -0.73 -4.99 116.55 118.87 1smk n ASP 289 Ca 0.00 0.90 -0.27 0.00 -0.53 0.00 0.00 54.79 54.90 1smk n ASP 289 Cb 0.00 -1.44 -0.03 0.00 -0.64 0.00 0.00 41.12 39.01 1smk n ASP 289 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1smk s ALA 290 N -1.40 3.78 -1.50 2.24 0.00 -1.26 -4.48 121.76 119.13 1smk s ALA 290 Ca 0.72 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.80 1smk s ALA 290 Cb -0.44 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.65 1smk s ALA 290 CO 0.50 0.32 0.65 0.41 0.00 0.00 0.00 175.76 177.63 1smk n GLY 291 N -0.93 -0.52 3.51 0.00 0.00 -1.26 -4.92 105.19 101.06 1smk n GLY 291 Ca -0.04 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1smk n GLY 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smk s VAL 292 N -3.16 4.29 -0.08 1.61 1.01 -1.26 -4.99 120.40 117.82 1smk s VAL 292 Ca 0.35 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1smk s VAL 292 Cb -0.16 -4.63 -0.00 0.00 0.00 0.00 0.00 36.38 31.59 1smk s VAL 292 CO 0.43 -1.29 -0.24 -0.63 0.00 0.00 0.00 175.10 173.37 1smk s ILE 293 N 4.20 2.06 0.12 2.22 1.01 -1.26 -0.21 121.20 129.34 1smk s ILE 293 Ca 0.29 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1smk s ILE 293 Cb -0.13 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.61 1smk s ILE 293 CO 0.17 0.56 0.39 -1.61 0.00 0.00 0.00 174.94 174.45 1smk s GLU 294 N 0.14 1.05 0.05 2.79 0.41 -0.39 -4.95 118.70 117.80 1smk s GLU 294 Ca -0.13 -0.72 -0.19 0.00 -0.41 0.00 0.00 54.97 53.52 1smk s GLU 294 Cb -0.16 0.46 -0.06 0.00 -1.78 0.00 0.00 34.13 32.58 1smk s GLU 294 CO 0.07 -0.40 0.56 0.00 -0.49 0.00 0.00 175.26 174.99 1smk s ALA 296 N -0.90 -0.92 -0.50 0.00 0.00 -0.98 -4.32 121.76 114.13 1smk s ALA 296 Ca 0.29 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 1smk s ALA 296 Cb -0.19 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.72 1smk s ALA 296 CO 0.18 -0.68 0.69 0.12 0.00 0.00 0.00 175.76 176.07 1smk s PHE 297 N -3.82 3.00 0.26 0.00 5.36 -0.10 -2.50 117.98 120.18 1smk s PHE 297 Ca 0.05 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.68 1smk s PHE 297 Cb 0.01 -3.61 -0.05 0.00 -0.34 0.00 0.00 43.02 39.03 1smk s PHE 297 CO -0.10 -1.07 0.07 0.14 -1.46 0.00 0.00 175.22 172.81 1smk s VAL 298 N 2.92 0.74 0.05 3.12 -7.23 -0.49 -0.53 120.40 118.98 1smk s VAL 298 Ca 0.19 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 1smk s VAL 298 Cb -0.17 -2.59 -0.08 0.00 0.56 0.00 0.00 36.38 34.10 1smk s VAL 298 CO 0.15 -0.08 1.64 -0.55 -0.31 0.00 0.00 175.10 175.95 1smk s SER 299 N -3.33 6.62 0.25 4.85 0.15 -1.26 -0.93 113.70 120.05 1smk s SER 299 Ca 0.35 2.45 -0.12 0.00 0.70 0.00 0.00 55.95 59.33 1smk s SER 299 Cb 0.08 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1smk s SER 299 CO 0.13 -0.88 0.45 -0.94 1.20 0.00 0.00 173.24 173.20 1smk s SER 300 N 2.48 -0.04 -0.08 5.45 1.04 -0.48 -4.89 113.70 117.18 1smk s SER 300 Ca 0.73 -0.99 0.12 0.00 0.48 0.00 0.00 55.95 56.30 1smk s SER 300 Cb -0.39 0.58 0.18 0.00 0.10 0.00 0.00 66.02 66.49 1smk s SER 300 CO 0.32 -1.13 1.09 0.00 0.98 0.00 0.00 173.24 174.50 1smk n GLN 301 N -0.38 0.90 0.14 4.02 3.00 -1.26 -4.31 117.38 119.49 1smk n GLN 301 Ca -0.01 -2.00 0.12 0.00 -0.01 0.00 0.00 57.00 55.10 1smk n GLN 301 Cb 0.62 -1.15 0.50 0.00 0.00 0.00 0.00 30.24 30.21 1smk n GLN 301 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1smk n VAL 302 N -0.92 0.80 -4.04 5.09 0.31 -1.26 -4.79 118.33 113.51 1smk n VAL 302 Ca 0.10 0.19 -0.14 0.00 -0.01 0.00 0.00 64.34 64.48 1smk n VAL 302 Cb 0.64 -1.13 -0.03 0.00 -0.91 0.00 0.00 33.84 32.42 1smk n VAL 302 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1smk n THR 303 N -2.29 0.00 0.49 2.52 -2.24 -1.26 -4.71 114.28 106.79 1smk n THR 303 Ca 0.02 -1.75 0.08 0.00 -2.27 0.00 0.00 64.05 60.14 1smk n THR 303 Cb 0.25 1.11 0.35 0.00 -2.10 0.00 0.00 70.33 69.94 1smk n THR 303 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1smk n GLU 304 N -0.59 0.03 -3.03 -0.78 0.28 -1.26 -4.73 120.64 110.57 1smk n GLU 304 Ca -0.00 0.27 -0.39 0.00 -0.16 0.00 0.00 57.16 56.88 1smk n GLU 304 Cb 0.60 -1.57 -0.06 0.00 1.43 0.00 0.00 31.44 31.85 1smk n GLU 304 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1smk s LEU 305 N -3.26 4.57 0.54 -1.84 1.43 -1.26 -4.97 118.68 113.89 1smk s LEU 305 Ca 0.07 1.56 0.29 0.00 -1.03 0.00 0.00 54.13 55.02 1smk s LEU 305 Cb 0.10 -3.22 1.56 0.00 0.03 0.00 0.00 46.19 44.65 1smk s LEU 305 CO 0.29 0.20 2.11 1.55 0.23 0.00 0.00 176.35 180.74 1smk h PRO 306 N 4.52 0.00 -3.88 1.29 0.13 -1.85 -3.42 132.00 128.79 1smk h PRO 306 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 1smk h PRO 306 Cb 1.21 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.00 1smk h PRO 306 CO 0.66 0.09 -0.76 -0.06 -0.23 0.00 0.00 178.00 177.70 1smk s PHE 307 N -4.25 0.54 0.07 1.56 0.40 -1.26 -1.38 117.98 113.66 1smk s PHE 307 Ca -0.03 -0.11 -0.15 0.00 -0.60 0.00 0.00 56.93 56.03 1smk s PHE 307 Cb 0.13 -0.54 0.03 0.00 0.51 0.00 0.00 43.02 43.15 1smk s PHE 307 CO 0.57 -0.16 0.36 0.12 0.70 0.00 0.00 175.22 176.81 1smk s PHE 308 N 0.96 -0.17 -0.19 0.36 5.36 -0.11 -4.90 117.98 119.30 1smk s PHE 308 Ca -0.11 -0.01 -0.11 0.00 -0.96 0.00 0.00 56.93 55.74 1smk s PHE 308 Cb -0.14 0.17 -0.05 0.00 -0.34 0.00 0.00 43.02 42.66 1smk s PHE 308 CO -0.01 -0.58 0.19 0.00 -1.46 0.00 0.00 175.22 173.36 1smk s ALA 309 N -2.97 3.65 0.16 11.12 0.00 0.54 -1.40 121.76 132.86 1smk s ALA 309 Ca -0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1smk s ALA 309 Cb 0.00 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 20.89 1smk s ALA 309 CO -0.06 0.14 0.30 -1.13 0.00 0.00 0.00 175.76 175.00 1smk n SER 310 N 3.54 -0.86 -4.73 0.00 3.41 -1.04 -1.03 113.62 112.91 1smk n SER 310 Ca -0.14 -1.69 -0.41 0.00 -0.26 0.00 0.00 58.87 56.36 1smk n SER 310 Cb 0.52 1.46 -0.04 0.00 -0.26 0.00 0.00 64.21 65.89 1smk n SER 310 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1smk s LYS 311 N -2.11 4.54 0.09 4.33 -0.14 -1.26 -2.33 119.74 122.86 1smk s LYS 311 Ca 0.08 1.75 0.06 0.00 -1.36 0.00 0.00 55.97 56.50 1smk s LYS 311 Cb -0.02 -3.29 -0.03 0.00 -1.68 0.00 0.00 37.83 32.82 1smk s LYS 311 CO 0.06 -0.02 -0.14 0.14 -0.76 0.00 0.00 175.35 174.62 1smk s VAL 312 N 0.05 1.22 -0.16 3.17 -7.23 0.13 -0.25 120.40 117.33 1smk s VAL 312 Ca 0.52 -1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 59.16 1smk s VAL 312 Cb -0.30 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1smk s VAL 312 CO 0.34 -0.28 0.08 -0.60 -0.31 0.00 0.00 175.10 174.33 1smk s ARG 313 N -2.07 3.81 -0.14 4.82 3.52 0.15 -1.26 118.95 127.78 1smk s ARG 313 Ca 0.02 -0.29 -0.04 0.00 -0.13 0.00 0.00 55.73 55.28 1smk s ARG 313 Cb -0.08 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 1smk s ARG 313 CO 0.03 0.41 0.01 -0.51 -0.81 0.00 0.00 175.30 174.43 1smk s LEU 314 N -0.02 3.57 0.00 -0.88 1.43 0.70 -0.58 118.68 122.91 1smk s LEU 314 Ca 0.07 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1smk s LEU 314 Cb -0.12 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1smk s LEU 314 CO 0.01 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1smk n GLY 315 N 3.05 5.59 0.31 -3.19 0.00 0.20 -4.40 105.19 106.75 1smk n GLY 315 Ca -0.18 -1.46 0.20 0.00 0.00 0.00 0.00 46.02 44.58 1smk n GLY 315 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1smk h ARG 316 N 0.00 0.00 0.00 1.61 3.08 -1.77 -2.82 114.38 114.49 1smk h ARG 316 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1smk h ARG 316 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1smk h ARG 316 CO 0.00 0.02 -0.54 0.09 -1.07 0.00 0.00 179.97 178.47 1smk n ASN 317 N -3.20 1.56 0.00 7.04 3.02 -1.26 -4.81 115.26 117.60 1smk n ASN 317 Ca -0.02 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 1smk n ASN 317 Cb 0.16 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1smk n ASN 317 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1smk n GLY 318 N -0.75 0.92 3.66 7.41 0.00 -1.07 -4.52 105.19 110.85 1smk n GLY 318 Ca 0.15 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1smk n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1smk s ILE 319 N 0.00 3.77 -0.06 -0.61 1.01 0.18 0.61 121.20 126.10 1smk s ILE 319 Ca 0.00 0.96 0.22 0.00 0.00 0.00 0.00 60.65 61.83 1smk s ILE 319 Cb 0.00 -3.62 -0.31 0.00 0.01 0.00 0.00 42.46 38.54 1smk s ILE 319 CO 0.00 -0.08 0.47 -0.62 0.00 0.00 0.00 174.94 174.71 1smk n GLU 320 N 6.78 0.66 -3.64 2.79 -0.58 0.26 -4.84 120.64 122.07 1smk n GLU 320 Ca 0.16 -0.16 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1smk n GLU 320 Cb 0.43 -1.54 -0.07 0.00 -0.57 0.00 0.00 31.44 29.70 1smk n GLU 320 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1smk s GLU 321 N -3.40 0.54 -0.29 3.49 2.12 -1.22 -4.95 118.70 114.98 1smk s GLU 321 Ca -0.08 0.72 -0.07 0.00 0.36 0.00 0.00 54.97 55.90 1smk s GLU 321 Cb 0.13 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.74 1smk s GLU 321 CO 0.90 -0.08 0.08 0.08 -0.54 0.00 0.00 175.26 175.70 1smk s VAL 322 N 0.61 4.00 0.28 3.70 1.01 -1.26 -0.68 120.40 128.06 1smk s VAL 322 Ca -0.01 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1smk s VAL 322 Cb -0.05 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 1smk s VAL 322 CO -0.08 0.11 1.03 -0.31 0.00 0.00 0.00 175.10 175.85 1smk s TYR 323 N 1.51 3.71 0.72 5.22 2.02 0.66 -5.01 117.35 126.18 1smk s TYR 323 Ca 0.03 1.78 -0.11 0.00 -0.37 0.00 0.00 57.07 58.40 1smk s TYR 323 Cb -0.17 -3.15 0.02 0.00 -0.40 0.00 0.00 41.96 38.27 1smk s TYR 323 CO 0.02 -0.15 1.07 -1.54 -1.57 0.00 0.00 175.55 173.39 1smk s SER 324 N -1.07 5.06 0.17 2.29 1.04 -1.26 -4.40 113.70 115.53 1smk s SER 324 Ca 0.44 1.73 -0.10 0.00 0.48 0.00 0.00 55.95 58.50 1smk s SER 324 Cb -0.28 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.36 1smk s SER 324 CO 0.36 -1.66 1.61 -0.07 0.98 0.00 0.00 173.24 174.46 1smk h LEU 325 N -0.75 0.98 0.00 2.42 3.38 -1.96 -3.47 115.31 115.91 1smk h LEU 325 Ca -0.44 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1smk h LEU 325 Cb 1.22 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1smk h LEU 325 CO 0.55 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.76 1smk n GLY 326 N -0.35 -1.11 3.73 0.83 0.00 -1.26 -4.83 105.19 102.20 1smk n GLY 326 Ca 0.02 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1smk n GLY 326 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1smk s PRO 327 N 0.00 4.20 0.06 1.61 0.04 -1.26 -5.02 135.00 134.63 1smk s PRO 327 Ca 0.00 2.43 0.05 0.00 0.04 0.00 0.00 61.00 63.52 1smk s PRO 327 Cb 0.00 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 1smk s PRO 327 CO 0.00 -0.58 -0.15 -0.51 0.04 0.00 0.00 177.00 175.80 1smk s LEU 328 N 0.32 2.25 0.76 -3.56 1.43 -1.26 -4.95 118.68 113.66 1smk s LEU 328 Ca 0.66 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1smk s LEU 328 Cb -0.45 -0.58 0.13 0.00 0.03 0.00 0.00 46.19 45.32 1smk s LEU 328 CO 0.39 -0.03 1.05 0.54 0.23 0.00 0.00 176.35 178.53 1smk s ASN 329 N -1.57 4.20 0.13 2.29 2.20 -1.26 -4.78 114.94 116.16 1smk s ASN 329 Ca -0.00 -0.13 -0.32 0.00 -0.94 0.00 0.00 52.86 51.48 1smk s ASN 329 Cb -0.09 -0.25 -0.09 0.00 -2.00 0.00 0.00 41.25 38.82 1smk s ASN 329 CO 0.02 -1.97 1.56 -0.33 -2.94 0.00 0.00 177.10 173.44 1smk h GLU 330 N -0.73 -0.44 -0.74 3.55 5.08 -2.01 0.15 114.58 119.44 1smk h GLU 330 Ca -0.39 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1smk h GLU 330 Cb 1.27 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.51 1smk h GLU 330 CO 0.43 -0.29 0.20 -0.92 -1.00 0.00 0.00 179.01 177.43 1smk h TYR 331 N -0.46 0.33 -0.33 4.33 3.20 -2.00 -0.54 116.97 121.50 1smk h TYR 331 Ca 0.07 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 1smk h TYR 331 Cb 0.63 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1smk h TYR 331 CO -0.64 -0.06 -0.35 0.93 -1.64 0.00 0.00 178.16 176.40 1smk h GLU 332 N 0.30 0.76 0.05 1.82 5.08 -1.70 -1.85 114.58 119.04 1smk h GLU 332 Ca 0.42 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1smk h GLU 332 Cb 0.70 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1smk h GLU 332 CO -0.49 0.99 -0.02 0.00 -1.00 0.00 0.00 179.01 178.49 1smk h ARG 333 N 0.63 -0.07 -0.53 2.33 3.08 0.56 0.58 114.38 120.96 1smk h ARG 333 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1smk h ARG 333 Cb 0.89 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1smk h ARG 333 CO 0.08 0.04 0.27 0.82 -1.07 0.00 0.00 179.97 180.10 1smk h ILE 334 N -0.15 1.17 -0.13 2.04 2.04 -1.13 -1.79 117.51 119.56 1smk h ILE 334 Ca -0.01 -0.46 -0.18 0.00 1.00 0.00 0.00 64.86 65.21 1smk h ILE 334 Cb 0.13 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1smk h ILE 334 CO 0.01 0.20 -0.66 1.23 0.00 0.00 0.00 178.15 178.93 1smk h GLY 335 N 0.83 0.57 0.87 5.37 0.00 -0.87 -3.00 103.07 106.83 1smk h GLY 335 Ca 0.19 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 46.79 1smk h GLY 335 CO -0.03 0.66 0.05 -2.00 0.00 0.00 0.00 176.54 175.23 1smk h LEU 336 N 0.37 0.06 -0.77 3.11 5.85 0.96 -0.60 115.31 124.30 1smk h LEU 336 Ca -0.02 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1smk h LEU 336 Cb 1.23 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1smk h LEU 336 CO 0.12 0.06 0.50 -0.08 -0.34 0.00 0.00 178.44 178.70 1smk h GLU 337 N 0.13 0.97 -0.41 1.25 4.57 -1.40 0.13 114.58 119.82 1smk h GLU 337 Ca 0.07 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.09 1smk h GLU 337 Cb 0.04 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 1smk h GLU 337 CO -0.07 0.64 -0.17 -0.22 -1.18 0.00 0.00 179.01 178.01 1smk h LYS 338 N 1.00 0.78 0.51 1.92 3.64 -1.36 -1.51 116.57 121.55 1smk h LYS 338 Ca 0.29 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1smk h LYS 338 Cb -0.06 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1smk h LYS 338 CO -0.08 0.89 -0.24 0.00 -2.27 0.00 0.00 179.45 177.74 1smk h ALA 339 N 1.12 -0.68 -0.77 5.00 0.00 -0.12 -2.89 119.26 120.92 1smk h ALA 339 Ca 0.11 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1smk h ALA 339 Cb 0.66 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1smk h ALA 339 CO 0.05 -0.88 0.38 0.87 0.00 0.00 0.00 179.25 179.67 1smk h LYS 340 N -0.69 0.58 -0.42 0.00 1.57 -0.59 0.52 116.57 117.54 1smk h LYS 340 Ca -0.07 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1smk h LYS 340 Cb 0.53 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1smk h LYS 340 CO 0.11 0.39 0.20 0.87 -0.57 0.00 0.00 179.45 180.45 1smk h LYS 341 N 0.60 0.39 -0.13 3.15 1.57 -1.14 0.16 116.57 121.17 1smk h LYS 341 Ca 0.40 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.95 1smk h LYS 341 Cb 0.50 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1smk h LYS 341 CO -0.32 0.26 -0.75 1.49 -0.57 0.00 0.00 179.45 179.56 1smk h GLU 342 N 0.40 0.64 -0.56 3.15 4.81 -1.22 -3.23 114.58 118.57 1smk h GLU 342 Ca 0.18 -0.51 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 1smk h GLU 342 Cb 0.11 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1smk h GLU 342 CO -0.14 1.13 0.14 1.25 -0.73 0.00 0.00 179.01 180.66 1smk h LEU 343 N 0.44 0.80 -0.52 1.64 5.85 -0.47 -1.98 115.31 121.08 1smk h LEU 343 Ca -0.04 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1smk h LEU 343 Cb 1.35 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1smk h LEU 343 CO 0.14 0.78 0.27 0.00 -0.34 0.00 0.00 178.44 179.29 1smk h ALA 344 N 1.33 0.66 -0.51 1.25 0.00 -0.71 -1.09 119.26 120.18 1smk h ALA 344 Ca 0.18 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1smk h ALA 344 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1smk h ALA 344 CO -0.00 -0.08 0.04 0.78 0.00 0.00 0.00 179.25 180.00 1smk h GLY 345 N 0.52 0.95 1.36 0.00 0.00 -1.50 -2.26 103.07 102.14 1smk h GLY 345 Ca 0.23 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1smk h GLY 345 CO -0.15 0.61 0.02 1.76 0.00 0.00 0.00 176.54 178.78 1smk h SER 346 N 0.75 0.75 0.02 0.19 0.02 -1.03 -0.57 113.55 113.69 1smk h SER 346 Ca 0.15 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1smk h SER 346 Cb 0.46 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1smk h SER 346 CO 0.02 0.81 -0.01 0.40 -1.14 0.00 0.00 176.83 176.90 1smk h ILE 347 N 0.74 1.21 -0.96 3.27 2.04 -1.11 -2.51 117.51 120.19 1smk h ILE 347 Ca 0.15 -0.71 0.09 0.00 1.00 0.00 0.00 64.86 65.39 1smk h ILE 347 Cb 0.42 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.12 1smk h ILE 347 CO 0.02 0.18 0.62 -0.08 0.00 0.00 0.00 178.15 178.88 1smk h GLU 348 N -0.34 0.98 -1.00 2.37 4.57 -1.23 0.69 114.58 120.62 1smk h GLU 348 Ca -0.00 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1smk h GLU 348 Cb 0.32 -0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 28.63 1smk h GLU 348 CO 0.00 0.65 0.66 -0.22 -1.18 0.00 0.00 179.01 178.92 1smk h LYS 349 N 1.01 1.25 0.12 1.92 3.64 -0.86 0.26 116.57 123.91 1smk h LYS 349 Ca 0.45 -0.08 -0.25 0.00 -1.27 0.00 0.00 60.65 59.50 1smk h LYS 349 Cb 0.36 -0.28 0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1smk h LYS 349 CO -0.20 0.83 -1.05 0.78 -2.27 0.00 0.00 179.45 177.54 1smk h GLY 350 N 1.29 0.57 1.01 5.01 0.00 -0.74 -2.48 103.07 107.72 1smk h GLY 350 Ca 0.39 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1smk h GLY 350 CO -0.11 1.07 0.48 -2.08 0.00 0.00 0.00 176.54 175.90 1smk h VAL 351 N 0.04 1.19 -0.53 4.60 2.07 -0.72 -2.64 116.25 120.26 1smk h VAL 351 Ca -0.16 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1smk h VAL 351 Cb 1.76 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1smk h VAL 351 CO 0.20 0.19 0.27 -1.28 0.02 0.00 0.00 177.57 176.97 1smk h SER 352 N 1.00 0.68 -1.04 0.57 0.87 -0.51 -1.89 113.55 113.22 1smk h SER 352 Ca 0.27 -0.12 0.27 0.00 -1.23 0.00 0.00 61.79 60.98 1smk h SER 352 Cb -0.10 -0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 61.60 1smk h SER 352 CO -0.06 0.61 0.67 0.15 -0.53 0.00 0.00 176.83 177.67 1smk h PHE 353 N 0.71 0.61 0.04 2.24 3.57 -1.06 -2.63 116.94 120.43 1smk h PHE 353 Ca 0.18 0.02 -0.33 0.00 3.53 0.00 0.00 57.97 61.38 1smk h PHE 353 Cb 0.10 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1smk h PHE 353 CO -0.01 0.06 -1.82 -0.89 -2.23 0.00 0.00 178.31 173.42 1smk n ILE 354 N -4.59 1.62 -1.33 1.41 2.08 -1.13 -4.59 119.36 112.82 1smk n ILE 354 Ca 0.25 -0.35 -0.40 0.00 0.56 0.00 0.00 62.75 62.81 1smk n ILE 354 Cb 0.89 -1.85 -0.03 0.00 -0.75 0.00 0.00 39.64 37.90 1smk n ILE 354 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1smk n ARG 355 N -3.96 2.33 0.00 0.38 1.74 -0.73 -5.09 116.66 111.34 1smk n ARG 355 Ca -0.37 -2.12 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 1smk n ARG 355 Cb 0.87 -2.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 1smk n ARG 355 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54