#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 2.54 -0.29 1.61 0.40 -0.06 -4.72 117.98 117.45 1smk s PHE 45 Ca 0.00 -0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 55.92 1smk s PHE 45 Cb 0.00 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.22 1smk s PHE 45 CO 0.00 0.47 0.36 0.15 0.70 0.00 0.00 175.22 176.90 1smk s LYS 46 N -2.57 3.88 0.02 0.44 1.02 -1.26 -1.02 119.74 120.24 1smk s LYS 46 Ca 0.22 -0.12 0.08 0.00 0.02 0.00 0.00 55.97 56.17 1smk s LYS 46 Cb -0.09 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 1smk s LYS 46 CO 0.12 -0.35 -0.24 0.08 -0.92 0.00 0.00 175.35 174.04 1smk s VAL 47 N 2.05 2.25 -0.04 3.17 1.01 0.12 0.72 120.40 129.68 1smk s VAL 47 Ca 0.14 -1.23 0.06 0.00 0.00 0.00 0.00 61.98 60.95 1smk s VAL 47 Cb -0.16 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1smk s VAL 47 CO 0.11 0.45 -0.21 0.00 0.00 0.00 0.00 175.10 175.44 1smk s ALA 48 N -0.75 1.84 -0.32 5.51 0.00 -0.45 -0.55 121.76 127.05 1smk s ALA 48 Ca 0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1smk s ALA 48 Cb -0.10 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.53 1smk s ALA 48 CO 0.01 0.38 0.03 0.42 0.00 0.00 0.00 175.76 176.60 1smk s ILE 49 N -0.22 3.00 -0.40 0.00 1.01 0.32 -0.18 121.20 124.74 1smk s ILE 49 Ca 0.00 -1.51 -0.24 0.00 0.00 0.00 0.00 60.65 58.91 1smk s ILE 49 Cb -0.11 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.59 1smk s ILE 49 CO 0.02 -0.20 0.82 -0.76 0.00 0.00 0.00 174.94 174.81 1smk s LEU 50 N 1.22 4.13 0.00 2.97 1.43 -0.44 -1.46 118.68 126.54 1smk s LEU 50 Ca -0.03 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1smk s LEU 50 Cb -0.20 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1smk s LEU 50 CO -0.02 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.34 1smk n GLY 51 N 4.69 1.95 0.34 -3.19 0.00 0.25 -1.58 105.19 107.65 1smk n GLY 51 Ca 0.04 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.27 1smk n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk h ALA 52 N 0.00 1.09 0.00 4.61 0.00 -1.29 -2.52 119.26 121.15 1smk h ALA 52 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1smk h ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1smk h ALA 52 CO 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 179.25 178.84 1smk n ALA 53 N -2.07 2.81 -1.00 0.00 0.00 -1.26 -1.83 120.51 117.15 1smk n ALA 53 Ca -0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 1smk n ALA 53 Cb 0.12 -1.27 0.09 0.00 0.00 0.00 0.00 19.45 18.38 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 1.39 -2.64 0.26 0.00 0.00 -0.95 -4.65 105.19 98.60 1smk n GLY 54 Ca 0.05 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.32 0.96 0.76 -0.02 0.00 -1.92 -2.60 103.07 98.92 1smk h GLY 55 Ca -0.14 -0.67 -0.32 0.00 0.00 0.00 0.00 47.33 46.20 1smk h GLY 55 CO 0.09 0.62 -1.60 -2.22 0.00 0.00 0.00 176.54 173.44 1smk h ILE 56 N 0.77 0.98 -0.81 2.60 2.04 -1.91 -3.39 117.51 117.79 1smk h ILE 56 Ca 0.15 -2.46 0.17 0.00 1.00 0.00 0.00 64.86 63.72 1smk h ILE 56 Cb 0.45 2.75 -0.11 0.00 -0.74 0.00 0.00 36.82 39.18 1smk h ILE 56 CO 0.02 0.79 0.33 1.23 0.00 0.00 0.00 178.15 180.52 1smk h GLY 57 N 0.40 1.29 0.65 5.37 0.00 -1.69 -1.62 103.07 107.47 1smk h GLY 57 Ca -0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1smk h GLY 57 CO 0.13 -0.15 -0.23 1.46 0.00 0.00 0.00 176.54 177.74 1smk h GLN 58 N 0.44 -0.62 -0.61 4.80 4.20 -0.95 0.12 115.11 122.49 1smk h GLN 58 Ca 0.47 0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.28 1smk h GLN 58 Cb 0.78 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 1smk h GLN 58 CO -0.45 -0.32 0.40 -1.00 -0.67 0.00 0.00 178.83 176.79 1smk h PRO 59 N -1.00 0.58 0.01 1.46 0.13 -1.74 -0.15 132.00 131.29 1smk h PRO 59 Ca -0.07 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1smk h PRO 59 Cb 0.59 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1smk h PRO 59 CO 0.11 0.39 -0.01 1.25 -0.23 0.00 0.00 178.00 179.51 1smk h LEU 60 N 0.60 -0.01 -0.48 1.56 5.85 -1.21 -1.77 115.31 119.84 1smk h LEU 60 Ca 0.26 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1smk h LEU 60 Cb 0.26 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1smk h LEU 60 CO -0.08 0.09 0.17 0.00 -0.34 0.00 0.00 178.44 178.28 1smk h ALA 61 N 0.87 0.58 -0.49 1.25 0.00 0.58 -0.21 119.26 121.85 1smk h ALA 61 Ca -0.00 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1smk h ALA 61 Cb 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1smk h ALA 61 CO 0.00 -0.22 0.23 1.98 0.00 0.00 0.00 179.25 181.24 1smk h MET 62 N 0.34 0.44 -0.46 0.00 1.85 -0.88 -1.11 114.93 115.11 1smk h MET 62 Ca 0.23 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 59.22 1smk h MET 62 Cb 0.24 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.15 1smk h MET 62 CO -0.24 0.29 -0.02 -0.07 -0.40 0.00 0.00 176.91 176.48 1smk h LEU 63 N 0.45 0.74 -0.73 3.39 3.38 -0.48 -2.77 115.31 119.29 1smk h LEU 63 Ca 0.22 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1smk h LEU 63 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1smk h LEU 63 CO -0.17 0.82 -0.08 0.24 0.09 0.00 0.00 178.44 179.34 1smk h MET 64 N 0.72 0.89 -0.08 1.13 2.86 -0.49 -1.89 114.93 118.07 1smk h MET 64 Ca 0.14 -0.30 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1smk h MET 64 Cb 0.46 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1smk h MET 64 CO 0.02 0.94 0.06 -0.22 1.06 0.00 0.00 176.91 178.77 1smk h LYS 65 N 0.81 0.00 0.00 1.72 1.63 -0.95 -0.11 116.57 119.66 1smk h LYS 65 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1smk h LYS 65 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1smk h LYS 65 CO 0.04 0.00 -0.06 0.52 -3.45 0.00 0.00 179.45 176.49 1smk h MET 66 N 0.00 0.00 -6.29 1.90 2.86 -1.11 -3.40 114.93 108.89 1smk h MET 66 Ca 0.04 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.11 1smk h MET 66 Cb 0.16 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1smk h MET 66 CO -0.00 0.00 1.09 1.21 1.06 0.00 0.00 176.91 180.27 1smk s ASN 67 N -6.09 6.45 0.60 1.22 3.84 -0.06 -4.89 114.94 116.02 1smk s ASN 67 Ca 0.07 1.59 0.39 0.00 0.21 0.00 0.00 52.86 55.12 1smk s ASN 67 Cb 0.06 -2.53 1.97 0.00 -0.55 0.00 0.00 41.25 40.19 1smk s ASN 67 CO 0.67 -1.20 2.19 1.55 -2.79 0.00 0.00 177.10 177.53 1smk h PRO 68 N 10.37 0.00 -0.11 0.43 0.13 -1.87 -1.27 132.00 139.68 1smk h PRO 68 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1smk h PRO 68 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1smk h PRO 68 CO 1.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.05 1smk n LEU 69 N -3.03 0.93 -4.27 1.56 4.77 -1.26 -4.71 117.00 110.98 1smk n LEU 69 Ca -0.01 -0.40 -0.34 0.00 -0.03 0.00 0.00 56.01 55.22 1smk n LEU 69 Cb 0.16 -0.07 -0.15 0.00 -2.33 0.00 0.00 43.42 41.03 1smk n LEU 69 CO 0.22 0.20 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.37 1smk s VAL 70 N -1.86 3.00 -0.26 4.08 1.01 -0.48 -0.89 120.40 125.01 1smk s VAL 70 Ca 0.27 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1smk s VAL 70 Cb 0.13 -2.34 -0.16 0.00 0.00 0.00 0.00 36.38 34.02 1smk s VAL 70 CO 0.21 0.46 -0.26 -1.54 0.00 0.00 0.00 175.10 173.97 1smk n SER 71 N 4.65 1.97 -4.26 3.32 3.41 -0.19 -2.08 113.62 120.45 1smk n SER 71 Ca -0.19 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.10 1smk n SER 71 Cb 0.51 -0.53 -0.16 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.52 2.43 -0.26 -3.33 1.01 -1.16 0.18 120.40 116.76 1smk s VAL 72 Ca -0.36 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 60.76 1smk s VAL 72 Cb 0.11 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.57 1smk s VAL 72 CO 0.57 0.54 -0.04 -0.22 0.00 0.00 0.00 175.10 175.95 1smk s LEU 73 N 0.52 3.01 -0.27 3.92 2.96 0.30 0.16 118.68 129.28 1smk s LEU 73 Ca -0.12 -1.38 -0.11 0.00 -0.22 0.00 0.00 54.13 52.30 1smk s LEU 73 Cb -0.17 -1.29 -0.05 0.00 0.50 0.00 0.00 46.19 45.19 1smk s LEU 73 CO 0.05 -0.26 0.17 -1.00 -1.32 0.00 0.00 176.35 173.99 1smk s HIS 74 N 1.29 3.24 -0.32 5.38 3.76 0.28 -1.32 115.29 127.60 1smk s HIS 74 Ca -0.03 0.12 -0.09 0.00 -0.15 0.00 0.00 55.06 54.90 1smk s HIS 74 Cb -0.19 -2.34 -0.00 0.00 1.11 0.00 0.00 32.58 31.16 1smk s HIS 74 CO -0.08 -0.11 0.15 -0.51 -0.85 0.00 0.00 174.74 173.35 1smk s LEU 75 N 1.55 4.16 0.09 0.89 1.43 -0.20 -0.52 118.68 126.08 1smk s LEU 75 Ca 0.07 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1smk s LEU 75 Cb -0.15 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1smk s LEU 75 CO 0.09 -0.22 -0.13 -0.47 0.23 0.00 0.00 176.35 175.85 1smk s TYR 76 N 1.59 2.67 -0.23 0.29 5.04 -0.53 0.05 117.35 126.24 1smk s TYR 76 Ca 0.04 -0.19 -0.33 0.00 -2.44 0.00 0.00 57.07 54.15 1smk s TYR 76 Cb -0.17 -1.43 0.16 0.00 0.35 0.00 0.00 41.96 40.86 1smk s TYR 76 CO 0.06 0.38 1.26 0.34 -1.34 0.00 0.00 175.55 176.25 1smk s ASP 77 N -1.99 -0.11 0.14 4.32 -1.08 -1.09 0.85 116.67 117.71 1smk s ASP 77 Ca 0.19 0.05 0.23 0.00 -0.52 0.00 0.00 52.55 52.50 1smk s ASP 77 Cb -0.11 0.11 0.90 0.00 -1.46 0.00 0.00 42.92 42.36 1smk s ASP 77 CO 0.11 -0.15 1.71 1.33 0.52 0.00 0.00 175.17 178.68 1smk n VAL 78 N 0.18 0.66 -3.84 1.11 0.24 -1.26 -1.86 118.33 113.57 1smk n VAL 78 Ca -0.00 0.07 -0.09 0.00 -2.04 0.00 0.00 64.34 62.28 1smk n VAL 78 Cb 0.58 -0.86 -0.07 0.00 -1.47 0.00 0.00 33.84 32.02 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 -3.13 0.13 0.00 3.34 -7.23 -1.26 -4.15 120.40 108.11 1smk s VAL 79 Ca 0.08 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1smk s VAL 79 Cb 0.12 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.77 1smk s VAL 79 CO 0.44 -0.61 0.00 0.59 -0.31 0.00 0.00 175.10 175.21 1smk n ASN 80 N -0.01 -0.95 -0.30 4.85 3.02 -1.26 -4.63 115.26 115.97 1smk n ASN 80 Ca -0.15 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.50 1smk n ASN 80 Cb 0.62 -1.15 0.27 0.00 -0.61 0.00 0.00 39.78 38.91 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 0.00 1.38 -0.62 5.41 0.00 -1.86 -2.16 119.26 121.41 1smk h ALA 81 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1smk h ALA 81 Cb 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1smk h ALA 81 CO 0.00 -0.20 0.08 -1.35 0.00 0.00 0.00 179.25 177.78 1smk h PRO 82 N 0.53 1.04 -0.58 0.00 0.11 -1.88 -0.80 132.00 130.42 1smk h PRO 82 Ca 0.52 -0.29 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 1smk h PRO 82 Cb 0.86 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1smk h PRO 82 CO -0.44 0.98 0.14 0.78 -0.21 0.00 0.00 178.00 179.25 1smk h GLY 83 N 0.95 1.01 1.37 -0.55 0.00 -1.81 0.23 103.07 104.27 1smk h GLY 83 Ca 0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1smk h GLY 83 CO 0.02 0.59 -0.31 -2.08 0.00 0.00 0.00 176.54 174.75 1smk h VAL 84 N 0.84 1.28 -0.37 4.60 2.07 -1.37 -2.11 116.25 121.20 1smk h VAL 84 Ca 0.18 -1.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.13 1smk h VAL 84 Cb 0.35 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1smk h VAL 84 CO 0.00 0.47 -0.27 0.74 0.02 0.00 0.00 177.57 178.53 1smk h THR 85 N 0.60 1.28 -0.58 2.57 2.02 -0.80 -1.32 112.91 116.67 1smk h THR 85 Ca 0.07 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.79 1smk h THR 85 Cb 0.83 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1smk h THR 85 CO 0.07 0.47 0.16 0.00 0.37 0.00 0.00 175.52 176.59 1smk h ALA 86 N 1.03 0.77 0.43 6.16 0.00 -0.79 -0.08 119.26 126.76 1smk h ALA 86 Ca 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1smk h ALA 86 Cb 0.80 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1smk h ALA 86 CO 0.07 0.45 -0.21 0.22 0.00 0.00 0.00 179.25 179.78 1smk h ASP 87 N 0.83 -0.50 0.87 0.00 1.82 -1.15 -2.87 116.42 115.42 1smk h ASP 87 Ca 0.19 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1smk h ASP 87 Cb 0.31 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1smk h ASP 87 CO -0.00 -0.35 0.00 0.40 -1.61 0.00 0.00 179.24 177.68 1smk h ILE 88 N -0.58 0.00 0.00 2.25 2.04 -1.16 -2.94 117.51 117.12 1smk h ILE 88 Ca -0.06 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1smk h ILE 88 Cb 0.45 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1smk h ILE 88 CO 0.09 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.01 1smk h SER 89 N 0.00 0.00 1.92 1.72 4.64 -0.77 -2.94 113.55 118.12 1smk h SER 89 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1smk h SER 89 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1smk h SER 89 CO 0.00 0.00 0.00 0.45 -0.87 0.00 0.00 176.83 176.41 1smk h HIS 90 N 0.00 0.00 -2.53 4.77 3.86 -1.55 -3.45 115.15 116.25 1smk h HIS 90 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 1smk h HIS 90 Cb 0.55 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.04 1smk h HIS 90 CO 0.00 0.00 1.12 -1.64 0.86 0.00 0.00 177.93 178.27 1smk s MET 91 N -3.25 4.16 -1.15 2.45 1.00 -1.11 -4.88 119.30 116.52 1smk s MET 91 Ca 0.07 2.46 -0.07 0.00 0.00 0.00 0.00 55.69 58.14 1smk s MET 91 Cb 0.05 -3.87 -0.07 0.00 0.00 0.00 0.00 34.83 30.95 1smk s MET 91 CO 0.66 -0.86 2.47 -0.40 0.00 0.00 0.00 175.02 176.89 1smk n ASP 92 N 6.58 6.38 -4.58 3.03 5.75 -1.26 -4.86 116.55 127.59 1smk n ASP 92 Ca 0.18 -2.41 -0.29 0.00 -0.01 0.00 0.00 54.79 52.26 1smk n ASP 92 Cb 0.41 -1.27 -0.09 0.00 -1.03 0.00 0.00 41.12 39.13 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 2.85 1.33 0.00 2.12 -4.23 -1.26 -5.11 115.64 111.34 1smk s THR 93 Ca 0.52 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1smk s THR 93 Cb 0.14 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1smk s THR 93 CO -0.04 0.00 0.11 0.61 -0.54 0.00 0.00 174.62 174.76 1smk n GLY 94 N -1.05 -1.82 1.06 3.99 0.00 -1.26 -4.84 105.19 101.27 1smk n GLY 94 Ca -0.11 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1smk n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk n ALA 95 N -2.51 -1.55 -2.66 4.61 0.00 -0.88 -4.93 120.51 112.60 1smk n ALA 95 Ca 0.00 0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 1smk n ALA 95 Cb 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 1smk n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1smk s VAL 96 N -0.21 5.27 -0.15 0.00 1.01 0.49 -4.88 120.40 121.94 1smk s VAL 96 Ca 0.22 0.43 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1smk s VAL 96 Cb -0.32 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1smk s VAL 96 CO 0.17 0.28 0.01 0.54 0.00 0.00 0.00 175.10 176.10 1smk s VAL 97 N 1.30 4.30 -0.02 2.92 0.11 -1.26 -0.54 120.40 127.21 1smk s VAL 97 Ca 0.13 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 59.00 1smk s VAL 97 Cb -0.14 -2.88 -0.01 0.00 -1.53 0.00 0.00 36.38 31.82 1smk s VAL 97 CO 0.07 0.51 -0.15 -0.13 -3.33 0.00 0.00 175.10 172.07 1smk s ARG 98 N 0.03 1.40 -0.03 1.54 1.81 -0.44 -4.92 118.95 118.33 1smk s ARG 98 Ca 0.03 -0.54 0.01 0.00 -1.72 0.00 0.00 55.73 53.51 1smk s ARG 98 Cb -0.13 -1.29 -0.03 0.00 -0.45 0.00 0.00 34.95 33.05 1smk s ARG 98 CO 0.02 0.27 -0.02 0.20 -0.68 0.00 0.00 175.30 175.09 1smk s GLY 99 N -0.14 1.83 -0.07 -3.53 0.00 -1.26 -1.04 107.32 103.11 1smk s GLY 99 Ca 0.01 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.85 1smk s GLY 99 CO 0.00 -0.73 -0.14 -1.36 0.00 0.00 0.00 173.10 170.87 1smk s PHE 100 N -0.98 1.65 0.04 1.90 0.40 0.11 -4.83 117.98 116.27 1smk s PHE 100 Ca 0.16 -0.64 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1smk s PHE 100 Cb -0.11 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 1smk s PHE 100 CO 0.06 -0.32 -0.02 -1.17 0.70 0.00 0.00 175.22 174.48 1smk s LEU 101 N 0.68 3.41 0.53 -0.37 2.96 -1.26 -2.67 118.68 121.96 1smk s LEU 101 Ca -0.14 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1smk s LEU 101 Cb -0.16 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1smk s LEU 101 CO 0.04 0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.91 1smk n GLY 102 N 1.06 -2.90 0.30 7.98 0.00 -0.78 -3.89 105.19 106.96 1smk n GLY 102 Ca -0.13 -1.09 0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.39 0.00 -0.64 1.61 5.75 -1.92 -2.44 115.11 116.08 1smk h GLN 103 Ca -0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1smk h GLN 103 Cb 1.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.90 1smk h GLN 103 CO 0.06 0.04 0.00 0.00 -2.65 0.00 0.00 178.83 176.28 1smk n GLN 104 N -3.35 0.94 -0.41 1.69 0.00 -1.26 -2.89 117.38 112.10 1smk n GLN 104 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.98 1smk n GLN 104 Cb 0.17 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.09 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 -0.14 0.00 -0.02 2.61 6.02 -0.92 -4.92 117.38 120.01 1smk n GLN 105 Ca 0.00 -0.63 -0.17 0.00 -0.01 0.00 0.00 57.00 56.19 1smk n GLN 105 Cb 0.16 -0.35 -0.09 0.00 1.02 0.00 0.00 30.24 30.99 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 0.00 0.71 -0.75 1.08 5.85 -1.63 -2.97 115.31 117.60 1smk h LEU 106 Ca 0.00 -0.66 -0.03 0.00 0.84 0.00 0.00 57.88 58.03 1smk h LEU 106 Cb 1.23 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1smk h LEU 106 CO 0.00 1.25 0.34 -0.08 -0.34 0.00 0.00 178.44 179.61 1smk h GLU 107 N 0.21 1.09 -0.16 1.25 4.81 -1.91 -1.65 114.58 118.22 1smk h GLU 107 Ca -0.05 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1smk h GLU 107 Cb 1.26 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1smk h GLU 107 CO 0.12 0.87 -0.06 0.00 -0.73 0.00 0.00 179.01 179.21 1smk h ALA 108 N 1.17 0.08 -0.13 2.92 0.00 -1.93 0.92 119.26 122.29 1smk h ALA 108 Ca 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1smk h ALA 108 Cb 0.15 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1smk h ALA 108 CO -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 179.25 178.76 1smk h ALA 109 N 1.11 0.16 -0.28 0.00 0.00 -1.35 -3.27 119.26 115.64 1smk h ALA 109 Ca 0.08 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1smk h ALA 109 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1smk h ALA 109 CO -0.18 -0.23 -0.34 -0.07 0.00 0.00 0.00 179.25 178.43 1smk h LEU 110 N 0.03 0.64 -9.28 0.00 3.38 -1.15 -3.44 115.31 105.49 1smk h LEU 110 Ca 0.04 -0.26 -0.68 0.00 0.09 0.00 0.00 57.88 57.07 1smk h LEU 110 Cb 0.20 -0.18 0.05 0.00 0.09 0.00 0.00 40.66 40.82 1smk h LEU 110 CO -0.00 0.93 0.61 0.41 0.09 0.00 0.00 178.44 180.47 1smk n THR 111 N -4.06 0.08 -1.00 0.22 -1.04 0.31 -2.07 114.28 106.72 1smk n THR 111 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1smk n THR 111 Cb 0.48 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 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 3.02 0.26 3.79 3.41 0.00 -1.18 -5.00 105.19 109.48 1smk n GLY 112 Ca 0.20 0.00 -0.35 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 -0.99 4.10 -0.21 1.61 1.00 -0.88 -4.82 119.30 119.11 1smk s MET 113 Ca 0.00 1.39 -0.18 0.00 0.00 0.00 0.00 55.69 56.90 1smk s MET 113 Cb 0.00 -2.38 -0.18 0.00 0.00 0.00 0.00 34.83 32.27 1smk s MET 113 CO 0.00 -0.17 0.11 -0.25 0.00 0.00 0.00 175.02 174.70 1smk n ASP 114 N -0.37 1.91 -4.27 3.03 8.00 0.22 -4.39 116.55 120.68 1smk n ASP 114 Ca 0.06 0.37 -0.30 0.00 0.71 0.00 0.00 54.79 55.63 1smk n ASP 114 Cb 0.51 -0.91 -0.16 0.00 -0.02 0.00 0.00 41.12 40.54 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 -7.68 2.04 -0.26 0.64 2.96 -1.01 0.20 118.68 115.58 1smk s LEU 115 Ca -0.30 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 1smk s LEU 115 Cb 0.08 -1.24 0.07 0.00 0.50 0.00 0.00 46.19 45.60 1smk s LEU 115 CO 0.59 0.29 -0.02 -0.63 -1.32 0.00 0.00 176.35 175.26 1smk s ILE 116 N -0.52 1.58 -0.31 6.68 1.01 0.15 -1.34 121.20 128.46 1smk s ILE 116 Ca 0.08 -1.41 -0.18 0.00 0.00 0.00 0.00 60.65 59.13 1smk s ILE 116 Cb -0.10 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1smk s ILE 116 CO -0.01 -0.23 0.54 -0.63 0.00 0.00 0.00 174.94 174.61 1smk s ILE 117 N 1.34 5.02 -0.52 2.92 1.01 0.75 -0.15 121.20 131.57 1smk s ILE 117 Ca -0.02 0.65 -0.00 0.00 0.00 0.00 0.00 60.65 61.27 1smk s ILE 117 Cb -0.19 -3.92 0.14 0.00 0.01 0.00 0.00 42.46 38.50 1smk s ILE 117 CO -0.09 -0.09 0.31 -0.69 0.00 0.00 0.00 174.94 174.38 1smk s VAL 118 N 2.42 3.20 -2.39 2.92 1.01 0.48 -1.33 120.40 126.71 1smk s VAL 118 Ca 0.21 -2.80 0.24 0.00 0.00 0.00 0.00 61.98 59.63 1smk s VAL 118 Cb -0.15 -3.16 0.17 0.00 0.00 0.00 0.00 36.38 33.23 1smk s VAL 118 CO 0.12 -0.79 1.29 -0.81 0.00 0.00 0.00 175.10 174.91 1smk n PRO 119 N 3.70 1.61 -1.53 2.72 -0.04 -1.16 -0.49 135.00 139.81 1smk n PRO 119 Ca 0.05 -1.25 -0.49 0.00 -0.04 0.00 0.00 63.50 61.76 1smk n PRO 119 Cb 0.38 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.40 -1.51 0.00 0.55 0.00 -0.61 -4.57 120.51 114.76 1smk n ALA 120 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1smk n ALA 120 Cb 0.49 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.78 3.25 3.92 0.00 0.00 -1.26 -4.45 105.19 108.44 1smk n GLY 121 Ca 0.15 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 1smk n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smk s VAL 122 N -2.00 5.10 0.45 1.61 -7.23 -1.26 -5.04 120.40 112.03 1smk s VAL 122 Ca 0.00 -0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 59.79 1smk s VAL 122 Cb 0.00 -3.78 -0.08 0.00 0.56 0.00 0.00 36.38 33.08 1smk s VAL 122 CO 0.00 -0.36 0.88 -2.84 -0.31 0.00 0.00 175.10 172.47 1smk s PRO 123 N -3.75 3.93 -0.61 4.82 0.02 -1.26 -4.98 135.00 133.17 1smk s PRO 123 Ca 0.41 0.78 -0.28 0.00 0.02 0.00 0.00 61.00 61.94 1smk s PRO 123 Cb -0.10 -2.26 0.02 0.00 0.02 0.00 0.00 34.50 32.18 1smk s PRO 123 CO 0.32 -0.12 1.38 1.03 -0.33 0.00 0.00 177.00 179.28 1smk s ARG 124 N -3.78 3.25 0.51 5.54 0.52 -1.26 -4.99 118.95 118.74 1smk s ARG 124 Ca 0.56 0.26 -0.06 0.00 -0.52 0.00 0.00 55.73 55.97 1smk s ARG 124 Cb -0.10 -4.14 0.09 0.00 0.52 0.00 0.00 34.95 31.32 1smk s ARG 124 CO 0.28 -2.02 0.21 1.63 0.02 0.00 0.00 175.30 175.41 1smk n LYS 125 N 8.86 -0.38 0.00 3.54 5.02 -1.26 -4.49 118.16 129.44 1smk n LYS 125 Ca 0.10 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1smk n LYS 125 Cb 0.49 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 1smk n LYS 125 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1smk n PRO 126 N -0.79 0.00 -0.96 1.97 -0.04 -1.26 -4.45 135.00 129.47 1smk n PRO 126 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1smk n PRO 126 Cb 0.14 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1smk n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1smk n GLY 127 N 1.53 0.01 1.83 0.55 0.00 -1.26 -4.76 105.19 103.08 1smk n GLY 127 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1smk n GLY 127 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1smk n MET 128 N 0.69 2.95 -3.64 1.61 0.00 -1.26 -4.74 117.12 112.72 1smk n MET 128 Ca 0.00 -2.47 -0.08 0.00 0.00 0.00 0.00 57.70 55.14 1smk n MET 128 Cb 0.45 -2.02 -0.09 0.00 0.00 0.00 0.00 33.22 31.55 1smk n MET 128 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1smk s THR 129 N -2.55 -0.65 -0.03 1.12 -4.23 -1.26 -5.12 115.64 102.93 1smk s THR 129 Ca 0.45 0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 61.05 1smk s THR 129 Cb 0.36 -0.68 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 1smk s THR 129 CO 0.11 0.06 0.18 -2.11 -0.54 0.00 0.00 174.62 172.32 1smk n ARG 130 N 5.39 0.00 0.00 3.99 1.85 -1.26 -4.62 116.66 122.01 1smk n ARG 130 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1smk n ARG 130 Cb 0.49 -0.22 0.00 0.00 -1.05 0.00 0.00 32.46 31.69 1smk n ARG 130 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1smk n ASP 131 N 0.35 0.35 -2.19 2.89 8.00 -1.26 -3.03 116.55 121.66 1smk n ASP 131 Ca 0.03 -0.82 -0.29 0.00 0.71 0.00 0.00 54.79 54.42 1smk n ASP 131 Cb 0.00 -0.18 0.07 0.00 -0.02 0.00 0.00 41.12 41.00 1smk n ASP 131 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1smk n ASP 132 N 0.18 7.31 0.00 -2.24 8.00 -1.26 -4.23 116.55 124.30 1smk n ASP 132 Ca 0.00 -3.56 0.13 0.00 0.71 0.00 0.00 54.79 52.06 1smk n ASP 132 Cb 0.09 -1.00 0.72 0.00 -0.02 0.00 0.00 41.12 40.91 1smk n ASP 132 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1smk n LEU 133 N -0.53 0.00 -0.23 0.64 -0.00 -1.17 -2.89 117.00 112.83 1smk n LEU 133 Ca 0.53 0.10 0.03 0.00 -0.00 0.00 0.00 56.01 56.67 1smk n LEU 133 Cb 0.64 -0.10 0.15 0.00 -0.00 0.00 0.00 43.42 44.11 1smk n LEU 133 CO 0.67 -0.02 0.92 0.15 -0.00 0.00 0.00 177.39 179.11 1smk h PHE 134 N 0.00 0.22 -0.73 1.47 3.57 -1.90 0.21 116.94 119.78 1smk h PHE 134 Ca 0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1smk h PHE 134 Cb 0.08 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.76 1smk h PHE 134 CO 0.00 -0.07 0.40 0.87 -2.23 0.00 0.00 178.31 177.28 1smk h LYS 135 N 0.26 0.68 0.37 1.11 1.57 -1.91 1.69 116.57 120.33 1smk h LYS 135 Ca 0.37 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1smk h LYS 135 Cb 0.60 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1smk h LYS 135 CO -0.47 0.45 -0.18 0.82 -0.57 0.00 0.00 179.45 179.50 1smk h ILE 136 N 0.70 0.00 -0.85 1.86 2.04 -0.91 0.49 117.51 120.85 1smk h ILE 136 Ca 0.34 -0.04 0.11 0.00 1.00 0.00 0.00 64.86 66.27 1smk h ILE 136 Cb 0.29 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.29 1smk h ILE 136 CO -0.22 0.00 0.48 0.78 0.00 0.00 0.00 178.15 179.19 1smk h ASN 137 N -0.53 0.67 -0.68 1.72 4.21 -0.84 0.36 115.58 120.49 1smk h ASN 137 Ca -0.05 0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 1smk h ASN 137 Cb 0.38 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.47 1smk h ASN 137 CO 0.08 0.36 0.32 0.00 -1.29 0.00 0.00 177.43 176.91 1smk h ALA 138 N 1.48 0.88 0.25 -0.83 0.00 0.25 -0.20 119.26 121.10 1smk h ALA 138 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1smk h ALA 138 Cb 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1smk h ALA 138 CO -0.27 0.45 -0.14 0.78 0.00 0.00 0.00 179.25 180.07 1smk h GLY 139 N 0.95 -0.38 0.21 0.00 0.00 0.26 -0.85 103.07 103.27 1smk h GLY 139 Ca 0.23 0.15 0.11 0.00 0.00 0.00 0.00 47.33 47.82 1smk h GLY 139 CO -0.03 -0.14 0.13 -2.22 0.00 0.00 0.00 176.54 174.27 1smk h ILE 140 N -0.37 0.65 0.66 2.60 2.04 -0.12 -1.17 117.51 121.80 1smk h ILE 140 Ca -0.03 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1smk h ILE 140 Cb 0.29 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1smk h ILE 140 CO 0.04 0.05 -0.51 0.58 0.00 0.00 0.00 178.15 178.31 1smk h VAL 141 N 0.26 0.00 -0.63 1.67 2.07 -0.69 -1.40 116.25 117.54 1smk h VAL 141 Ca 0.31 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.90 1smk h VAL 141 Cb 0.45 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 1smk h VAL 141 CO -0.39 0.00 -0.54 0.50 0.02 0.00 0.00 177.57 177.16 1smk h LYS 142 N -1.12 -0.23 -0.01 1.57 3.64 -0.43 0.48 116.57 120.46 1smk h LYS 142 Ca -0.09 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1smk h LYS 142 Cb 0.94 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1smk h LYS 142 CO 0.02 -0.15 0.03 1.79 -2.27 0.00 0.00 179.45 178.87 1smk h THR 143 N -0.24 0.21 0.17 1.00 1.35 -1.14 -0.87 112.91 113.39 1smk h THR 143 Ca 0.13 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.68 1smk h THR 143 Cb 0.54 0.97 0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1smk h THR 143 CO -0.73 0.00 -1.46 -0.07 -0.25 0.00 0.00 175.52 173.01 1smk h LEU 144 N 0.00 0.58 -1.03 3.87 3.38 0.97 -3.31 115.31 119.76 1smk h LEU 144 Ca 0.01 -0.91 -0.05 0.00 0.09 0.00 0.00 57.88 57.01 1smk h LEU 144 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1smk h LEU 144 CO -0.00 1.67 0.12 0.00 0.09 0.00 0.00 178.44 180.32 1smk s GLU 146 N -5.19 3.69 0.00 0.00 2.02 -0.38 -0.74 118.70 118.10 1smk s GLU 146 Ca -0.10 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.65 1smk s GLU 146 Cb 0.15 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1smk s GLU 146 CO 0.80 -1.42 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1smk n GLY 147 N 4.87 1.66 0.10 -1.39 0.00 -1.25 -4.77 105.19 104.42 1smk n GLY 147 Ca 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1smk n GLY 147 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1smk h ILE 148 N 0.00 1.17 -0.00 -0.61 2.04 -0.60 0.38 117.51 119.89 1smk h ILE 148 Ca 0.00 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 63.17 1smk h ILE 148 Cb 0.00 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1smk h ILE 148 CO 0.00 0.66 -0.49 0.00 0.00 0.00 0.00 178.15 178.32 1smk n ALA 149 N -2.30 3.55 -0.11 1.87 0.00 -0.01 -1.95 120.51 121.57 1smk n ALA 149 Ca -0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 1smk n ALA 149 Cb 0.84 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 1smk n ALA 149 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1smk n LYS 150 N -1.35 0.75 -0.01 0.00 4.81 -1.11 -4.43 118.16 116.83 1smk n LYS 150 Ca 0.07 0.08 0.05 0.00 -0.87 0.00 0.00 58.31 57.63 1smk n LYS 150 Cb 0.34 -1.46 0.04 0.00 0.02 0.00 0.00 35.03 33.97 1smk n LYS 150 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1smk n PRO 153 N -0.20 0.17 -0.00 0.00 -0.04 -0.82 -1.00 135.00 133.11 1smk n PRO 153 Ca -0.21 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.30 1smk n PRO 153 Cb 0.68 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 1smk n PRO 153 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1smk n ARG 154 N -0.79 2.58 -2.24 0.54 5.12 -1.26 -4.84 116.66 115.77 1smk n ARG 154 Ca 0.02 -0.03 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 1smk n ARG 154 Cb 0.01 -1.08 -0.00 0.00 -1.16 0.00 0.00 32.46 30.23 1smk n ARG 154 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1smk s ALA 155 N -2.22 2.73 0.16 7.54 0.00 -0.17 -5.01 121.76 124.78 1smk s ALA 155 Ca 0.02 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 1smk s ALA 155 Cb 0.08 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1smk s ALA 155 CO 0.45 -0.71 0.95 0.42 0.00 0.00 0.00 175.76 176.87 1smk s ILE 156 N -2.05 4.33 -0.14 0.00 -1.09 0.13 -4.88 121.20 117.51 1smk s ILE 156 Ca 0.68 2.08 -0.02 0.00 -2.23 0.00 0.00 60.65 61.16 1smk s ILE 156 Cb -0.20 -4.33 -0.02 0.00 -1.58 0.00 0.00 42.46 36.34 1smk s ILE 156 CO 0.29 0.39 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.63 1smk s VAL 157 N -0.46 3.63 -0.59 2.92 1.01 0.30 0.33 120.40 127.53 1smk s VAL 157 Ca 0.45 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1smk s VAL 157 Cb -0.24 -2.56 0.15 0.00 0.00 0.00 0.00 36.38 33.73 1smk s VAL 157 CO 0.31 0.51 0.36 0.20 0.00 0.00 0.00 175.10 176.48 1smk s ASN 158 N 0.23 4.76 -0.28 3.32 0.02 0.79 -0.78 114.94 123.00 1smk s ASN 158 Ca -0.04 -3.02 -0.27 0.00 -1.02 0.00 0.00 52.86 48.50 1smk s ASN 158 Cb -0.14 -1.74 0.01 0.00 0.02 0.00 0.00 41.25 39.40 1smk s ASN 158 CO 0.04 -0.28 0.98 -0.22 0.02 0.00 0.00 177.10 177.64 1smk s LEU 159 N -0.30 4.03 -0.02 0.60 2.96 -0.14 -0.38 118.68 125.42 1smk s LEU 159 Ca 0.18 1.09 0.11 0.00 -0.22 0.00 0.00 54.13 55.29 1smk s LEU 159 Cb -0.22 -3.42 -0.18 0.00 0.50 0.00 0.00 46.19 42.88 1smk s LEU 159 CO -0.02 -0.72 0.24 -0.38 -1.32 0.00 0.00 176.35 174.15 1smk n ILE 160 N 5.55 0.05 -1.65 6.68 5.41 0.35 -1.29 119.36 134.45 1smk n ILE 160 Ca 0.10 -0.27 -0.54 0.00 1.00 0.00 0.00 62.75 63.04 1smk n ILE 160 Cb 0.47 0.18 -0.06 0.00 -0.71 0.00 0.00 39.64 39.51 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 -1.93 2.17 -4.78 4.38 7.64 -0.93 -4.72 113.62 115.44 1smk n SER 161 Ca -0.03 1.09 -0.37 0.00 1.01 0.00 0.00 58.87 60.56 1smk n SER 161 Cb 0.33 -1.20 -0.06 0.00 -1.01 0.00 0.00 64.21 62.27 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 2.05 7.35 -0.29 6.43 0.02 -1.26 -2.98 114.94 126.26 1smk s ASN 162 Ca 0.91 1.77 -0.19 0.00 -1.02 0.00 0.00 52.86 54.33 1smk s ASN 162 Cb -0.97 -2.55 -0.02 0.00 0.02 0.00 0.00 41.25 37.73 1smk s ASN 162 CO 0.55 0.00 0.55 -2.16 0.02 0.00 0.00 177.10 176.06 1smk s PRO 163 N -1.84 3.96 0.30 -0.60 0.04 -1.26 -4.75 135.00 130.85 1smk s PRO 163 Ca 0.47 0.25 0.02 0.00 0.04 0.00 0.00 61.00 61.77 1smk s PRO 163 Cb -0.20 -3.70 0.75 0.00 0.04 0.00 0.00 34.50 31.39 1smk s PRO 163 CO 0.25 -0.45 1.59 0.28 0.04 0.00 0.00 177.00 178.70 1smk h VAL 164 N 5.47 0.09 0.00 -0.36 2.07 -1.82 0.68 116.25 122.38 1smk h VAL 164 Ca -0.28 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1smk h VAL 164 Cb 1.13 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1smk h VAL 164 CO 0.75 0.01 0.11 0.78 0.02 0.00 0.00 177.57 179.23 1smk h ASN 165 N 0.05 0.00 0.00 0.57 2.35 -1.94 -1.68 115.58 114.93 1smk h ASN 165 Ca 0.59 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.21 1smk h ASN 165 Cb 1.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 1smk h ASN 165 CO -0.85 0.00 -1.47 -1.20 -1.65 0.00 0.00 177.43 172.25 1smk n SER 166 N -2.66 3.35 -0.16 5.81 7.64 0.20 -3.46 113.62 124.35 1smk n SER 166 Ca -0.02 -0.03 -0.09 0.00 1.01 0.00 0.00 58.87 59.74 1smk n SER 166 Cb 0.15 0.08 0.06 0.00 -1.01 0.00 0.00 64.21 63.49 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 1.26 -0.37 0.44 1.35 -0.32 -0.72 112.91 114.55 1smk h THR 167 Ca -0.19 -1.23 -0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1smk h THR 167 Cb 1.32 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 1smk h THR 167 CO -0.02 0.43 0.23 0.58 -0.25 0.00 0.00 175.52 176.49 1smk h VAL 168 N 0.85 1.12 -0.23 6.82 2.07 -1.55 0.18 116.25 125.50 1smk h VAL 168 Ca 0.14 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1smk h VAL 168 Cb 0.64 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1smk h VAL 168 CO 0.04 0.12 0.15 -0.65 0.02 0.00 0.00 177.57 177.25 1smk h PRO 169 N 0.49 0.29 -0.33 1.57 0.11 -1.73 -0.95 132.00 131.44 1smk h PRO 169 Ca 0.13 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.29 1smk h PRO 169 Cb -0.01 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 30.95 1smk h PRO 169 CO -0.03 0.20 -0.37 0.82 -0.21 0.00 0.00 178.00 178.41 1smk h ILE 170 N 0.30 0.19 -0.49 4.15 2.04 -0.55 -0.49 117.51 122.67 1smk h ILE 170 Ca 0.08 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.04 1smk h ILE 170 Cb -0.03 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.15 1smk h ILE 170 CO -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.08 1smk h ALA 171 N 0.52 0.40 -0.29 1.87 0.00 -0.30 -2.16 119.26 119.31 1smk h ALA 171 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1smk h ALA 171 Cb 0.57 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1smk h ALA 171 CO -0.51 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.33 1smk n ALA 172 N -2.73 -0.21 -0.42 0.00 0.00 -0.27 -1.50 120.51 115.39 1smk n ALA 172 Ca 0.05 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.85 1smk n ALA 172 Cb 0.26 0.26 0.69 0.00 0.00 0.00 0.00 19.45 20.66 1smk n ALA 172 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1smk h GLU 173 N 0.00 0.11 0.24 0.00 4.39 -1.20 0.26 114.58 118.37 1smk h GLU 173 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1smk h GLU 173 Cb 0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1smk h GLU 173 CO 0.00 0.07 -0.12 0.28 -1.16 0.00 0.00 179.01 178.08 1smk h VAL 174 N 0.11 0.79 -0.46 3.13 2.07 -0.59 -2.16 116.25 119.14 1smk h VAL 174 Ca 0.70 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.97 1smk h VAL 174 Cb 2.44 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1smk h VAL 174 CO -0.17 0.04 -0.03 -0.26 0.02 0.00 0.00 177.57 177.16 1smk h PHE 175 N -0.41 0.83 -0.45 1.57 0.04 0.25 -2.67 116.94 116.10 1smk h PHE 175 Ca -0.03 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.63 1smk h PHE 175 Cb 0.31 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1smk h PHE 175 CO -0.04 0.78 0.30 0.87 -0.60 0.00 0.00 178.31 179.62 1smk h LYS 176 N 0.72 0.56 0.00 1.51 1.57 -1.03 0.49 116.57 120.39 1smk h LYS 176 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1smk h LYS 176 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1smk h LYS 176 CO 0.02 0.37 -0.09 1.17 -0.57 0.00 0.00 179.45 180.35 1smk n LYS 177 N -4.47 0.01 0.00 3.15 4.81 -0.83 -2.76 118.16 118.07 1smk n LYS 177 Ca 0.04 0.01 0.07 0.00 -0.87 0.00 0.00 58.31 57.56 1smk n LYS 177 Cb 0.08 -1.51 -0.05 0.00 0.02 0.00 0.00 35.03 33.57 1smk n LYS 177 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1smk n ALA 178 N -1.51 3.60 -1.04 3.14 0.00 0.22 -4.98 120.51 119.94 1smk n ALA 178 Ca 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 1smk n ALA 178 Cb 0.34 -0.54 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 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 1.26 0.43 1.03 0.00 0.00 0.15 -4.87 105.19 103.18 1smk n GLY 179 Ca 0.04 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.66 2.02 -2.25 2.61 -2.24 -0.56 -4.97 114.28 106.23 1smk n THR 180 Ca -0.01 -1.57 -0.40 0.00 -2.27 0.00 0.00 64.05 59.81 1smk n THR 180 Cb 0.19 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.33 1.92 -0.42 4.78 5.04 -1.17 -4.91 117.35 120.26 1smk s TYR 181 Ca 0.41 0.45 -0.09 0.00 -2.44 0.00 0.00 57.07 55.40 1smk s TYR 181 Cb 0.30 -4.31 0.08 0.00 0.35 0.00 0.00 41.96 38.39 1smk s TYR 181 CO 0.13 -2.22 0.26 0.34 -1.34 0.00 0.00 175.55 172.73 1smk s ASP 182 N 6.31 5.62 0.00 4.32 -1.08 -1.26 -4.93 116.67 125.64 1smk s ASP 182 Ca 0.54 -1.58 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 1smk s ASP 182 Cb -0.11 -1.98 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 1smk s ASP 182 CO 0.19 -0.55 0.09 -0.81 0.52 0.00 0.00 175.17 174.60 1smk n PRO 183 N 4.90 0.17 0.00 4.34 -0.04 -1.26 -1.56 135.00 141.54 1smk n PRO 183 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1smk n PRO 183 Cb 0.43 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.32 0.87 -0.07 0.54 5.02 -1.26 -4.54 118.16 119.04 1smk n LYS 184 Ca 0.00 -0.29 0.03 0.00 -2.02 0.00 0.00 58.31 56.03 1smk n LYS 184 Cb 0.04 -0.76 0.06 0.00 -0.02 0.00 0.00 35.03 34.35 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 -0.21 2.86 -3.99 1.97 1.74 -0.60 -1.58 116.66 116.84 1smk n ARG 185 Ca 0.00 -1.77 -0.34 0.00 -0.77 0.00 0.00 57.85 54.97 1smk n ARG 185 Cb 0.04 -1.14 -0.14 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.17 3.46 -0.07 0.55 2.96 -1.25 0.11 118.68 123.27 1smk s LEU 186 Ca 0.10 -1.18 0.02 0.00 -0.22 0.00 0.00 54.13 52.85 1smk s LEU 186 Cb 0.06 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 45.14 1smk s LEU 186 CO 0.05 -0.19 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.03 1smk s LEU 187 N 1.22 1.54 -0.23 -0.68 1.02 0.04 -4.58 118.68 117.01 1smk s LEU 187 Ca -0.05 -0.28 -0.24 0.00 0.02 0.00 0.00 54.13 53.58 1smk s LEU 187 Cb -0.19 -0.78 -0.01 0.00 0.02 0.00 0.00 46.19 45.23 1smk s LEU 187 CO -0.04 0.00 0.82 -0.83 0.02 0.00 0.00 176.35 176.32 1smk s GLY 188 N 0.85 1.83 -0.54 -3.19 0.00 0.18 -0.97 107.32 105.47 1smk s GLY 188 Ca -0.11 -0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.21 1smk s GLY 188 CO 0.01 1.76 1.49 0.14 0.00 0.00 0.00 173.10 176.50 1smk s VAL 189 N 2.68 3.73 -1.11 1.40 1.01 -0.42 -1.23 120.40 126.46 1smk s VAL 189 Ca 0.35 0.62 0.10 0.00 0.00 0.00 0.00 61.98 63.05 1smk s VAL 189 Cb -0.15 -4.32 0.17 0.00 0.00 0.00 0.00 36.38 32.07 1smk s VAL 189 CO 0.08 -1.08 1.01 0.35 0.00 0.00 0.00 175.10 175.47 1smk n THR 190 N 6.94 0.44 -0.33 3.92 -2.24 -1.26 -4.73 114.28 117.02 1smk n THR 190 Ca 0.14 -0.72 0.22 0.00 -2.27 0.00 0.00 64.05 61.42 1smk n THR 190 Cb 0.49 0.90 0.44 0.00 -2.10 0.00 0.00 70.33 70.06 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 1.98 0.30 -0.49 -0.78 -1.53 -1.86 0.22 114.93 112.77 1smk h MET 191 Ca 0.00 -0.02 0.12 0.00 -3.44 0.00 0.00 59.70 56.36 1smk h MET 191 Cb 0.56 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.52 1smk h MET 191 CO 0.00 0.20 0.34 1.25 0.14 0.00 0.00 176.91 178.84 1smk h LEU 192 N 0.30 0.11 -0.66 3.39 5.85 -1.85 0.60 115.31 123.05 1smk h LEU 192 Ca 0.70 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.31 1smk h LEU 192 Cb 1.57 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1smk h LEU 192 CO -0.62 0.06 -0.21 0.44 -0.34 0.00 0.00 178.44 177.77 1smk h ASP 193 N 0.12 0.84 -0.10 1.25 3.32 -0.94 -0.69 116.42 120.22 1smk h ASP 193 Ca 0.23 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1smk h ASP 193 Cb 0.76 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1smk h ASP 193 CO -0.03 1.02 -0.03 0.58 -1.72 0.00 0.00 179.24 179.06 1smk h VAL 194 N 0.72 1.30 -0.33 -1.35 2.07 0.03 -1.13 116.25 117.55 1smk h VAL 194 Ca 0.10 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.68 1smk h VAL 194 Cb 0.74 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 1smk h VAL 194 CO 0.06 0.28 0.01 0.58 0.02 0.00 0.00 177.57 178.52 1smk h VAL 195 N -0.13 0.76 -0.11 2.57 2.07 -0.43 0.45 116.25 121.43 1smk h VAL 195 Ca 0.02 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1smk h VAL 195 Cb 0.46 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1smk h VAL 195 CO 0.01 0.02 0.07 0.03 0.02 0.00 0.00 177.57 177.72 1smk h ARG 196 N 0.11 0.15 -0.31 1.57 3.08 -1.08 -0.94 114.38 116.97 1smk h ARG 196 Ca 0.16 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.26 1smk h ARG 196 Cb 0.22 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 1smk h ARG 196 CO -0.26 0.15 -0.13 0.00 -1.07 0.00 0.00 179.97 178.66 1smk h ALA 197 N 0.99 0.12 -0.54 0.04 0.00 -0.71 0.62 119.26 119.78 1smk h ALA 197 Ca 0.04 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1smk h ALA 197 Cb 0.04 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1smk h ALA 197 CO -0.01 -0.52 0.30 -0.91 0.00 0.00 0.00 179.25 178.11 1smk h ASN 198 N -0.08 0.46 -0.15 0.00 2.35 -0.74 0.30 115.58 117.73 1smk h ASN 198 Ca 0.16 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1smk h ASN 198 Cb 0.31 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1smk h ASN 198 CO -0.36 0.31 0.03 0.74 -1.65 0.00 0.00 177.43 176.51 1smk h THR 199 N 0.58 1.20 -0.23 2.81 2.02 0.10 -1.04 112.91 118.35 1smk h THR 199 Ca 0.23 -0.64 -0.17 0.00 0.77 0.00 0.00 66.41 66.60 1smk h THR 199 Cb 0.10 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1smk h THR 199 CO -0.14 0.19 -0.53 -0.26 0.37 0.00 0.00 175.52 175.16 1smk h PHE 200 N 0.04 0.83 -0.50 3.16 0.04 0.47 -1.71 116.94 119.27 1smk h PHE 200 Ca 0.05 -0.29 -0.09 0.00 2.80 0.00 0.00 57.97 60.43 1smk h PHE 200 Cb 0.27 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1smk h PHE 200 CO 0.01 1.05 -0.06 0.28 -0.60 0.00 0.00 178.31 178.99 1smk h VAL 201 N 0.52 1.26 -0.82 -0.55 2.07 -0.42 -2.52 116.25 115.79 1smk h VAL 201 Ca 0.02 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1smk h VAL 201 Cb 1.09 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1smk h VAL 201 CO 0.11 0.41 0.38 0.00 0.02 0.00 0.00 177.57 178.48 1smk h ALA 202 N 1.10 1.12 -0.15 1.67 0.00 -1.00 -0.57 119.26 121.44 1smk h ALA 202 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1smk h ALA 202 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1smk h ALA 202 CO 0.04 0.65 0.08 0.93 0.00 0.00 0.00 179.25 180.95 1smk h GLU 203 N 1.17 0.22 -0.60 0.00 5.08 -1.00 0.16 114.58 119.60 1smk h GLU 203 Ca 0.28 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1smk h GLU 203 Cb 0.14 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1smk h GLU 203 CO -0.03 0.25 0.25 0.28 -1.00 0.00 0.00 179.01 178.76 1smk h VAL 204 N 0.13 1.21 -0.01 3.13 2.07 -1.19 -2.31 116.25 119.28 1smk h VAL 204 Ca 0.05 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1smk h VAL 204 Cb 0.10 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1smk h VAL 204 CO -0.01 0.26 -0.11 0.18 0.02 0.00 0.00 177.57 177.92 1smk n LEU 205 N -4.32 0.70 -1.15 2.57 4.77 -0.24 -4.90 117.00 114.42 1smk n LEU 205 Ca 0.05 -0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 1smk n LEU 205 Cb 0.16 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1smk n LEU 205 CO 0.39 0.13 -0.14 0.61 -1.33 0.00 0.00 177.39 177.05 1smk n GLY 206 N 1.25 0.87 4.01 -0.72 0.00 0.04 -5.00 105.19 105.63 1smk n GLY 206 Ca 0.16 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.21 3.32 -0.28 0.99 1.43 0.34 -5.02 118.68 116.25 1smk s LEU 207 Ca 0.00 -0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 52.22 1smk s LEU 207 Cb 0.00 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1smk s LEU 207 CO 0.00 -1.05 0.50 -0.62 0.23 0.00 0.00 176.35 175.41 1smk s ASP 208 N -4.48 6.39 0.53 2.29 -1.08 -1.26 -4.49 116.67 114.57 1smk s ASP 208 Ca 0.56 0.41 0.40 0.00 -0.52 0.00 0.00 52.55 53.40 1smk s ASP 208 Cb -0.07 -2.27 1.59 0.00 -1.46 0.00 0.00 42.92 40.71 1smk s ASP 208 CO 0.35 -0.31 1.70 1.55 0.52 0.00 0.00 175.17 178.98 1smk h PRO 209 N 8.11 0.03 0.00 4.34 0.13 -1.89 0.35 132.00 143.07 1smk h PRO 209 Ca -0.29 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 1smk h PRO 209 Cb 1.14 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1smk h PRO 209 CO 0.72 0.02 -0.20 0.00 -0.23 0.00 0.00 178.00 178.31 1smk h ARG 210 N 0.03 0.00 -0.38 0.86 3.08 -1.92 -2.05 114.38 114.00 1smk h ARG 210 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.78 1smk h ARG 210 Cb 2.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.87 1smk h ARG 210 CO -0.07 0.20 0.00 -0.25 -1.07 0.00 0.00 179.97 178.78 1smk n ASP 211 N -4.02 2.55 -4.49 7.04 8.00 0.12 -4.90 116.55 120.86 1smk n ASP 211 Ca -0.02 -1.91 -0.32 0.00 0.71 0.00 0.00 54.79 53.25 1smk n ASP 211 Cb 0.28 -0.25 -0.12 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.50 3.04 -0.03 2.53 1.01 -0.77 -4.08 120.40 120.61 1smk s VAL 212 Ca 0.34 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1smk s VAL 212 Cb 0.19 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1smk s VAL 212 CO 0.26 0.46 0.04 -0.62 0.00 0.00 0.00 175.10 175.24 1smk s ASP 213 N -1.12 0.05 -0.14 3.32 2.15 -0.54 -4.85 116.67 115.54 1smk s ASP 213 Ca 0.14 0.07 -0.00 0.00 0.43 0.00 0.00 52.55 53.19 1smk s ASP 213 Cb -0.11 -0.04 0.03 0.00 -0.30 0.00 0.00 42.92 42.51 1smk s ASP 213 CO 0.04 -0.13 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.14 1smk s VAL 214 N 1.09 1.12 0.24 1.11 1.01 -1.26 -1.37 120.40 122.33 1smk s VAL 214 Ca -0.09 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1smk s VAL 214 Cb -0.13 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 1smk s VAL 214 CO -0.03 0.26 1.18 -2.16 0.00 0.00 0.00 175.10 174.34 1smk s PRO 215 N 1.65 4.53 -0.15 2.72 0.04 -1.26 -4.84 135.00 137.69 1smk s PRO 215 Ca 0.03 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 1smk s PRO 215 Cb -0.14 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.24 1smk s PRO 215 CO -0.08 0.01 -0.04 0.08 0.04 0.00 0.00 177.00 177.01 1smk s VAL 216 N -0.58 0.92 0.50 -0.36 1.01 -1.26 -0.52 120.40 120.12 1smk s VAL 216 Ca 0.49 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1smk s VAL 216 Cb -0.33 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1smk s VAL 216 CO 0.40 0.15 0.08 0.68 0.00 0.00 0.00 175.10 176.42 1smk s VAL 217 N 1.72 1.41 0.00 2.92 -7.23 -0.45 -4.54 120.40 114.22 1smk s VAL 217 Ca 0.02 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1smk s VAL 217 Cb -0.15 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1smk s VAL 217 CO -0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 1smk n GLY 218 N -1.31 0.89 0.00 2.32 0.00 -0.78 -1.13 105.19 105.17 1smk n GLY 218 Ca -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 7.27 0.01 -0.02 0.00 0.15 -0.56 105.19 112.05 1smk n GLY 219 Ca 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 0.00 -3.85 1.61 -0.00 -1.26 -4.22 115.22 107.50 1smk n HIS 220 Ca 0.00 -0.50 -0.16 0.00 0.46 0.00 0.00 57.72 57.52 1smk n HIS 220 Cb 0.00 -0.06 -0.16 0.00 -0.12 0.00 0.00 29.99 29.66 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 -1.08 0.19 0.00 1.57 0.00 -1.26 -4.93 121.76 116.24 1smk s ALA 221 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1smk s ALA 221 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1smk s ALA 221 CO 0.00 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1smk n GLY 222 N 4.09 2.80 0.00 0.00 0.00 -1.25 -1.14 105.19 109.70 1smk n GLY 222 Ca -0.27 0.01 0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 0.86 0.26 1.61 0.24 -1.26 -0.95 118.33 119.09 1smk n VAL 223 Ca 0.00 0.22 0.12 0.00 -2.04 0.00 0.00 64.34 62.64 1smk n VAL 223 Cb 0.00 -1.12 0.17 0.00 -1.47 0.00 0.00 33.84 31.42 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 0.00 -3.64 3.34 1.03 -1.44 -3.33 112.91 108.87 1smk h THR 224 Ca 0.00 -0.93 -0.59 0.00 -0.01 0.00 0.00 66.41 64.87 1smk h THR 224 Cb 0.05 1.85 -0.10 0.00 -1.07 0.00 0.00 68.15 68.89 1smk h THR 224 CO 0.00 0.00 0.64 -0.63 -0.01 0.00 0.00 175.52 175.52 1smk s ILE 225 N -3.22 4.45 -0.41 0.00 1.01 -0.12 0.34 121.20 123.24 1smk s ILE 225 Ca 0.06 0.89 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 1smk s ILE 225 Cb 0.07 -4.45 0.11 0.00 0.01 0.00 0.00 42.46 38.20 1smk s ILE 225 CO 0.68 -0.81 0.21 -0.22 0.00 0.00 0.00 174.94 174.79 1smk s LEU 226 N 3.82 5.25 -0.43 2.97 2.96 -0.28 -4.75 118.68 128.22 1smk s LEU 226 Ca 0.39 -2.05 -0.28 0.00 -0.22 0.00 0.00 54.13 51.96 1smk s LEU 226 Cb -0.10 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.79 1smk s LEU 226 CO 0.26 -0.54 1.08 -2.16 -1.32 0.00 0.00 176.35 173.68 1smk s PRO 227 N 1.11 3.80 -1.20 0.98 0.04 -1.26 -1.35 135.00 137.12 1smk s PRO 227 Ca 0.08 0.65 -0.20 0.00 0.04 0.00 0.00 61.00 61.57 1smk s PRO 227 Cb -0.23 -3.86 0.02 0.00 0.04 0.00 0.00 34.50 30.48 1smk s PRO 227 CO -0.04 -1.21 1.76 -0.51 0.04 0.00 0.00 177.00 177.03 1smk s LEU 228 N 4.11 3.55 0.51 -3.56 1.43 0.33 -4.74 118.68 120.31 1smk s LEU 228 Ca 0.45 -1.99 0.34 0.00 -1.03 0.00 0.00 54.13 51.90 1smk s LEU 228 Cb -0.09 -2.58 1.55 0.00 0.03 0.00 0.00 46.19 45.10 1smk s LEU 228 CO 0.26 -1.79 2.01 -0.07 0.23 0.00 0.00 176.35 176.99 1smk h LEU 229 N 14.21 0.00 -0.68 1.79 3.38 -1.92 -2.30 115.31 129.78 1smk h LEU 229 Ca 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 1smk h LEU 229 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1smk h LEU 229 CO 1.38 0.00 -0.38 0.77 0.09 0.00 0.00 178.44 180.30 1smk h SER 230 N 0.00 0.00 -0.50 -0.43 4.64 -1.93 -3.10 113.55 112.22 1smk h SER 230 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1smk h SER 230 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1smk h SER 230 CO 0.00 0.38 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 1smk n GLN 231 N -3.40 2.90 -1.84 4.77 6.02 -0.87 -4.94 117.38 120.03 1smk n GLN 231 Ca 0.01 -2.12 -0.35 0.00 -0.01 0.00 0.00 57.00 54.52 1smk n GLN 231 Cb 0.56 -1.68 0.05 0.00 1.02 0.00 0.00 30.24 30.20 1smk n GLN 231 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1smk s VAL 232 N -1.67 2.56 -0.05 5.09 1.01 -1.18 -4.64 120.40 121.52 1smk s VAL 232 Ca 0.38 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.73 1smk s VAL 232 Cb 0.24 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 1smk s VAL 232 CO 0.20 -0.10 -0.19 -0.54 0.00 0.00 0.00 175.10 174.47 1smk s LYS 233 N -3.53 2.07 0.72 2.72 1.02 -0.47 -3.58 119.74 118.68 1smk s LYS 233 Ca 0.76 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.96 1smk s LYS 233 Cb -0.30 -1.75 0.02 0.00 -0.52 0.00 0.00 37.83 35.28 1smk s LYS 233 CO 0.37 0.25 1.07 -1.25 -0.92 0.00 0.00 175.35 174.87 1smk s PRO 234 N 0.06 2.76 -0.08 -1.68 0.04 -1.26 -1.46 135.00 133.39 1smk s PRO 234 Ca -0.06 0.95 -0.39 0.00 0.04 0.00 0.00 61.00 61.54 1smk s PRO 234 Cb -0.13 -1.97 -0.17 0.00 0.04 0.00 0.00 34.50 32.27 1smk s PRO 234 CO 0.03 -1.22 1.44 -2.30 0.04 0.00 0.00 177.00 174.99 1smk n PRO 235 N -3.21 0.88 -3.84 0.56 -0.02 -1.23 -4.95 135.00 123.18 1smk n PRO 235 Ca 0.08 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.79 1smk n PRO 235 Cb 0.54 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 32.01 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 1.52 0.10 -0.10 2.55 0.01 -1.26 -5.13 113.70 111.38 1smk s SER 236 Ca 0.91 -0.63 0.04 0.00 1.31 0.00 0.00 55.95 57.58 1smk s SER 236 Cb -1.08 0.35 -0.00 0.00 0.21 0.00 0.00 66.02 65.50 1smk s SER 236 CO 0.57 -0.74 -0.24 -0.94 0.41 0.00 0.00 173.24 172.30 1smk s SER 237 N -2.86 3.10 0.22 2.44 1.04 -1.26 -4.98 113.70 111.40 1smk s SER 237 Ca 0.05 -0.56 0.08 0.00 0.48 0.00 0.00 55.95 56.00 1smk s SER 237 Cb 0.05 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.71 1smk s SER 237 CO -0.11 0.16 -0.00 -0.36 0.98 0.00 0.00 173.24 173.91 1smk s PHE 238 N 0.34 2.77 0.50 5.02 0.08 -1.26 -5.13 117.98 120.31 1smk s PHE 238 Ca -0.19 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.62 1smk s PHE 238 Cb -0.18 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 1smk s PHE 238 CO 0.09 0.56 0.81 0.95 -0.10 0.00 0.00 175.22 177.53 1smk s THR 239 N -1.99 4.88 0.57 0.64 -4.23 -1.26 -4.89 115.64 109.35 1smk s THR 239 Ca 0.29 0.26 0.27 0.00 -1.18 0.00 0.00 61.69 61.32 1smk s THR 239 Cb -0.08 -3.86 0.37 0.00 1.34 0.00 0.00 72.50 70.27 1smk s THR 239 CO 0.19 -0.87 2.04 -0.61 -0.54 0.00 0.00 174.62 174.83 1smk h GLN 240 N 0.17 0.00 0.12 3.99 4.15 -2.00 -1.51 115.11 120.03 1smk h GLN 240 Ca -0.47 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.95 1smk h GLN 240 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1smk h GLN 240 CO 0.62 0.00 -0.06 1.49 -1.93 0.00 0.00 178.83 178.95 1smk h GLU 241 N 0.00 -0.15 -1.00 1.69 4.81 -2.00 -2.83 114.58 115.11 1smk h GLU 241 Ca 0.15 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1smk h GLU 241 Cb 0.73 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 1smk h GLU 241 CO -0.00 0.29 0.66 0.93 -0.73 0.00 0.00 179.01 180.16 1smk h GLU 242 N -0.67 1.28 -0.72 1.92 5.08 -1.68 0.23 114.58 120.02 1smk h GLU 242 Ca -0.02 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1smk h GLU 242 Cb 0.51 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1smk h GLU 242 CO 0.03 0.85 0.48 0.82 -1.00 0.00 0.00 179.01 180.18 1smk h ILE 243 N 1.32 1.18 -0.28 3.13 2.04 -1.36 0.30 117.51 123.84 1smk h ILE 243 Ca 0.38 -0.33 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 1smk h ILE 243 Cb -0.10 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1smk h ILE 243 CO -0.10 0.18 -0.35 -1.28 0.00 0.00 0.00 178.15 176.60 1smk h SER 244 N 0.97 0.79 0.94 1.72 0.87 -1.16 -1.30 113.55 116.38 1smk h SER 244 Ca 0.26 -0.49 -0.05 0.00 -1.23 0.00 0.00 61.79 60.28 1smk h SER 244 Cb -0.11 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.63 1smk h SER 244 CO -0.06 1.13 -0.45 0.22 -0.53 0.00 0.00 176.83 177.14 1smk h TYR 245 N 0.47 -1.18 -0.45 2.24 3.20 -0.58 -1.87 116.97 118.81 1smk h TYR 245 Ca 0.04 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1smk h TYR 245 Cb 0.93 0.39 -0.08 0.00 1.54 0.00 0.00 36.73 39.51 1smk h TYR 245 CO 0.08 -0.73 -0.04 -0.07 -1.64 0.00 0.00 178.16 175.75 1smk h LEU 246 N -1.34 -0.27 -0.09 2.82 3.38 -0.47 0.11 115.31 119.45 1smk h LEU 246 Ca -0.13 0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1smk h LEU 246 Cb 0.97 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1smk h LEU 246 CO 0.21 -0.09 -0.04 0.74 0.09 0.00 0.00 178.44 179.35 1smk h THR 247 N 0.07 0.86 -0.64 0.22 2.02 -1.24 0.40 112.91 114.60 1smk h THR 247 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1smk h THR 247 Cb 0.33 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1smk h THR 247 CO -0.41 0.00 0.41 -0.78 0.37 0.00 0.00 175.52 175.11 1smk h ASP 248 N -0.03 0.75 -0.21 4.18 3.58 -0.80 -2.01 116.42 121.88 1smk h ASP 248 Ca 0.05 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 1smk h ASP 248 Cb 0.11 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1smk h ASP 248 CO -0.11 0.56 -0.22 -0.09 -2.88 0.00 0.00 179.24 176.50 1smk h ARG 249 N 0.87 0.66 -0.49 0.28 2.43 -0.38 -1.88 114.38 115.87 1smk h ARG 249 Ca 0.23 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1smk h ARG 249 Cb -0.07 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1smk h ARG 249 CO -0.05 0.83 -0.15 0.82 -1.51 0.00 0.00 179.97 179.91 1smk h ILE 250 N 0.58 1.27 0.00 1.20 2.04 -0.66 0.02 117.51 121.96 1smk h ILE 250 Ca 0.08 -1.29 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 1smk h ILE 250 Cb 0.69 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1smk h ILE 250 CO 0.05 0.45 -0.34 1.56 0.00 0.00 0.00 178.15 179.87 1smk h GLN 251 N 0.83 0.00 -0.19 2.37 4.20 -1.17 -3.12 115.11 118.03 1smk h GLN 251 Ca 0.12 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1smk h GLN 251 Cb 0.69 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1smk h GLN 251 CO 0.05 0.34 -0.05 0.09 -0.67 0.00 0.00 178.83 178.59 1smk n ASN 252 N -3.47 3.03 -0.23 1.46 3.02 -0.72 -3.89 115.26 114.44 1smk n ASN 252 Ca 0.00 -3.25 -0.02 0.00 -0.03 0.00 0.00 54.58 51.28 1smk n ASN 252 Cb 0.50 -0.53 0.09 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.08 0.97 0.73 7.41 0.00 -0.93 -2.89 103.07 109.44 1smk h GLY 253 Ca 0.04 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.12 1smk h GLY 253 CO 0.18 0.20 -0.01 -1.33 0.00 0.00 0.00 176.54 175.58 1smk h GLY 254 N 0.74 0.15 0.84 4.60 0.00 -1.85 -2.25 103.07 105.30 1smk h GLY 254 Ca 0.29 0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.77 1smk h GLY 254 CO -0.15 -0.04 0.46 -0.91 0.00 0.00 0.00 176.54 175.90 1smk h THR 255 N 0.04 0.84 -0.83 4.70 1.35 -1.87 0.19 112.91 117.32 1smk h THR 255 Ca 0.08 -0.14 0.11 0.00 -0.55 0.00 0.00 66.41 65.91 1smk h THR 255 Cb 0.10 0.40 -0.06 0.00 -1.73 0.00 0.00 68.15 66.86 1smk h THR 255 CO -0.14 0.07 0.54 -0.33 -0.25 0.00 0.00 175.52 175.41 1smk h GLU 256 N 0.41 0.70 0.05 4.72 5.08 -1.26 0.56 114.58 124.83 1smk h GLU 256 Ca 0.33 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.43 1smk h GLU 256 Cb 0.72 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.83 1smk h GLU 256 CO -0.10 0.46 -0.86 0.28 -1.00 0.00 0.00 179.01 177.80 1smk h VAL 257 N 0.72 1.38 -0.91 3.13 2.07 -0.67 -2.43 116.25 119.54 1smk h VAL 257 Ca 0.40 -2.26 0.05 0.00 0.82 0.00 0.00 66.70 65.70 1smk h VAL 257 Cb 0.55 2.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.94 1smk h VAL 257 CO -0.16 0.67 0.58 0.58 0.02 0.00 0.00 177.57 179.26 1smk h VAL 258 N 0.03 1.11 -0.71 2.57 2.07 -0.37 -1.66 116.25 119.30 1smk h VAL 258 Ca -0.12 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1smk h VAL 258 Cb 1.57 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1smk h VAL 258 CO 0.17 0.20 0.35 -0.08 0.02 0.00 0.00 177.57 178.22 1smk h GLU 259 N 1.10 1.02 0.00 1.57 4.22 0.09 0.47 114.58 123.05 1smk h GLU 259 Ca 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.67 1smk h GLU 259 Cb 0.07 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1smk h GLU 259 CO -0.14 0.80 0.00 0.00 -2.18 0.00 0.00 179.01 177.49 1smk n ALA 260 N -2.37 1.85 -0.70 2.92 0.00 -0.71 -2.28 120.51 119.21 1smk n ALA 260 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.61 1smk n ALA 260 Cb 0.13 -1.40 0.27 0.00 0.00 0.00 0.00 19.45 18.45 1smk n ALA 260 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1smk n LYS 261 N -2.14 3.31 -3.80 0.00 5.02 -0.72 -4.95 118.16 114.88 1smk n LYS 261 Ca 0.03 -2.70 -0.28 0.00 -2.02 0.00 0.00 58.31 53.35 1smk n LYS 261 Cb 0.28 -1.76 0.04 0.00 -0.02 0.00 0.00 35.03 33.57 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 0.22 -1.32 -0.87 7.82 0.00 -0.95 -1.73 120.51 123.69 1smk n ALA 262 Ca 0.21 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1smk n ALA 262 Cb 0.81 -4.75 0.00 0.00 0.00 0.00 0.00 19.45 15.51 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 -1.79 0.11 2.90 0.00 0.00 0.16 -4.87 105.19 101.69 1smk n GLY 263 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1smk n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk n ALA 264 N 1.00 6.49 0.00 4.61 0.00 -0.71 -4.94 120.51 126.96 1smk n ALA 264 Ca 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1smk n ALA 264 Cb 0.28 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1smk n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 265 N -0.50 4.40 1.40 0.00 0.00 -1.26 -5.04 105.19 104.20 1smk n GLY 265 Ca 0.53 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1smk n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1smk n SER 266 N 0.00 1.76 -4.70 1.61 3.41 -1.26 -4.21 113.62 110.24 1smk n SER 266 Ca 0.00 -1.72 -0.43 0.00 -0.26 0.00 0.00 58.87 56.46 1smk n SER 266 Cb 0.00 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1smk n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smk n ALA 267 N -2.55 1.29 0.06 7.33 0.00 -1.26 -4.90 120.51 120.48 1smk n ALA 267 Ca -0.07 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1smk n ALA 267 Cb 0.23 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1smk n ALA 267 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1smk n THR 268 N 0.52 0.41 0.05 0.00 -1.04 -1.26 -4.70 114.28 108.26 1smk n THR 268 Ca 0.05 0.13 -0.13 0.00 -2.04 0.00 0.00 64.05 62.07 1smk n THR 268 Cb 0.36 -1.06 -0.09 0.00 -1.82 0.00 0.00 70.33 67.72 1smk n THR 268 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1smk h LEU 269 N 0.00 -0.13 -1.78 -4.42 3.38 -1.90 0.10 115.31 110.56 1smk h LEU 269 Ca 0.00 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.70 1smk h LEU 269 Cb 0.20 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1smk h LEU 269 CO 0.00 0.28 0.26 0.77 0.09 0.00 0.00 178.44 179.85 1smk h SER 270 N -0.57 0.24 0.00 -0.43 4.64 -1.99 0.20 113.55 115.64 1smk h SER 270 Ca -0.02 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 1smk h SER 270 Cb 0.45 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1smk h SER 270 CO 0.03 0.16 -0.86 -0.03 -0.87 0.00 0.00 176.83 175.25 1smk h MET 271 N 0.27 0.67 0.10 4.77 1.85 -1.81 -0.77 114.93 120.02 1smk h MET 271 Ca 0.17 -0.61 -0.00 0.00 -0.61 0.00 0.00 59.70 58.65 1smk h MET 271 Cb 0.34 0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.52 1smk h MET 271 CO -0.03 1.22 -0.05 0.00 -0.40 0.00 0.00 176.91 177.64 1smk h ALA 272 N 0.59 -0.13 -0.06 0.39 0.00 0.51 0.59 119.26 121.15 1smk h ALA 272 Ca -0.07 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1smk h ALA 272 Cb 1.49 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1smk h ALA 272 CO 0.17 -0.53 -0.26 -0.92 0.00 0.00 0.00 179.25 177.72 1smk h TYR 273 N -0.23 -0.69 -0.39 0.00 5.03 -0.64 0.60 116.97 120.64 1smk h TYR 273 Ca -0.01 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 1smk h TYR 273 Cb 0.19 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 1smk h TYR 273 CO -0.04 -0.34 0.17 0.00 -1.32 0.00 0.00 178.16 176.62 1smk h ALA 274 N 0.51 1.56 -0.17 1.82 0.00 -1.02 -0.83 119.26 121.13 1smk h ALA 274 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1smk h ALA 274 Cb 0.48 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1smk h ALA 274 CO -0.27 0.35 -0.05 0.00 0.00 0.00 0.00 179.25 179.28 1smk h ALA 275 N 1.63 0.23 -0.59 0.00 0.00 -0.06 -0.82 119.26 119.66 1smk h ALA 275 Ca 0.14 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1smk h ALA 275 Cb 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1smk h ALA 275 CO -0.02 0.00 0.37 0.28 0.00 0.00 0.00 179.25 179.89 1smk h VAL 276 N 0.02 1.10 -0.81 0.00 2.07 -0.51 0.32 116.25 118.44 1smk h VAL 276 Ca 0.04 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1smk h VAL 276 Cb 0.49 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1smk h VAL 276 CO 0.02 0.14 0.42 0.50 0.02 0.00 0.00 177.57 178.67 1smk h LYS 277 N 0.74 1.14 -0.10 1.57 3.64 -1.05 0.30 116.57 122.81 1smk h LYS 277 Ca 0.23 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1smk h LYS 277 Cb -0.02 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1smk h LYS 277 CO -0.08 0.85 -0.29 0.35 -2.27 0.00 0.00 179.45 178.01 1smk h PHE 278 N 1.14 0.49 -0.22 1.91 3.57 -0.53 -2.93 116.94 120.37 1smk h PHE 278 Ca 0.28 -0.19 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1smk h PHE 278 Cb 0.06 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 1smk h PHE 278 CO 0.01 0.91 -0.13 0.00 -2.23 0.00 0.00 178.31 176.87 1smk h ALA 279 N 0.49 0.04 -0.79 2.41 0.00 0.01 -0.20 119.26 121.22 1smk h ALA 279 Ca -0.01 0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1smk h ALA 279 Cb 0.91 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1smk h ALA 279 CO 0.06 -0.55 0.53 0.22 0.00 0.00 0.00 179.25 179.52 1smk h ASP 280 N -0.11 0.36 0.22 0.00 3.58 -0.44 0.52 116.42 120.55 1smk h ASP 280 Ca 0.12 0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.45 1smk h ASP 280 Cb 0.29 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1smk h ASP 280 CO -0.28 0.17 -0.54 0.00 -2.88 0.00 0.00 179.24 175.71 1smk h ALA 281 N 1.64 0.85 -0.39 -0.78 0.00 -0.87 -1.39 119.26 118.32 1smk h ALA 281 Ca 0.39 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1smk h ALA 281 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1smk h ALA 281 CO -0.12 0.69 -0.32 0.00 0.00 0.00 0.00 179.25 179.49 1smk h LEU 283 N 0.72 -0.26 -1.36 0.00 3.38 -1.12 1.00 115.31 117.66 1smk h LEU 283 Ca 0.07 -0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.06 1smk h LEU 283 Cb 0.91 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 1smk h LEU 283 CO 0.08 -0.02 0.57 0.03 0.09 0.00 0.00 178.44 179.19 1smk h ARG 284 N -0.50 0.59 0.12 1.13 3.08 -1.26 0.86 114.38 118.40 1smk h ARG 284 Ca -0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1smk h ARG 284 Cb 0.38 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1smk h ARG 284 CO 0.05 0.39 -0.06 0.78 -1.07 0.00 0.00 179.97 180.06 1smk h GLY 285 N 0.61 -0.17 0.70 0.04 0.00 -0.50 -1.84 103.07 101.92 1smk h GLY 285 Ca 0.44 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.91 1smk h GLY 285 CO -0.19 -0.06 0.63 1.41 0.00 0.00 0.00 176.54 178.32 1smk h LEU 286 N -0.17 0.99 -2.67 3.11 3.38 0.22 -0.71 115.31 119.47 1smk h LEU 286 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1smk h LEU 286 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1smk h LEU 286 CO 0.03 0.62 0.03 -0.09 0.09 0.00 0.00 178.44 179.12 1smk h ARG 287 N 1.12 0.00 0.00 1.13 2.43 0.13 -3.41 114.38 115.78 1smk h ARG 287 Ca 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1smk h ARG 287 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1smk h ARG 287 CO -0.18 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.69 1smk n GLY 288 N -1.21 1.95 3.39 2.80 0.00 -0.31 -5.06 105.19 106.76 1smk n GLY 288 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.79 -4.76 1.61 9.92 -0.88 -4.93 116.55 115.72 1smk n ASP 289 Ca 0.00 0.78 -0.22 0.00 -0.53 0.00 0.00 54.79 54.82 1smk n ASP 289 Cb 0.00 -1.05 -0.06 0.00 -0.64 0.00 0.00 41.12 39.38 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 -1.70 3.56 0.00 2.24 0.00 -1.26 -4.62 121.76 119.99 1smk s ALA 290 Ca 0.63 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1smk s ALA 290 Cb -0.53 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1smk s ALA 290 CO 0.59 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.83 1smk n GLY 291 N -1.18 1.11 3.56 0.00 0.00 -1.26 -4.95 105.19 102.47 1smk n GLY 291 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.31 3.16 -0.13 1.61 1.01 -1.26 -4.93 120.40 116.55 1smk s VAL 292 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1smk s VAL 292 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1smk s VAL 292 CO 0.00 -0.36 -0.12 -0.63 0.00 0.00 0.00 175.10 173.98 1smk s ILE 293 N 10.46 1.38 0.03 2.22 1.01 -1.26 -0.50 121.20 134.54 1smk s ILE 293 Ca 0.86 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1smk s ILE 293 Cb -0.17 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1smk s ILE 293 CO 0.25 0.42 -0.04 -1.61 0.00 0.00 0.00 174.94 173.97 1smk s GLU 294 N 1.41 0.39 0.37 2.79 0.41 -0.86 -4.92 118.70 118.28 1smk s GLU 294 Ca 0.02 -0.73 -0.24 0.00 -0.41 0.00 0.00 54.97 53.61 1smk s GLU 294 Cb -0.13 0.07 -0.10 0.00 -1.78 0.00 0.00 34.13 32.19 1smk s GLU 294 CO -0.07 -0.05 0.96 0.00 -0.49 0.00 0.00 175.26 175.61 1smk s ALA 296 N -1.82 -1.79 -0.49 0.00 0.00 -0.68 -4.50 121.76 112.48 1smk s ALA 296 Ca 0.55 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 53.42 1smk s ALA 296 Cb -0.15 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.14 1smk s ALA 296 CO 0.20 -0.54 0.77 0.12 0.00 0.00 0.00 175.76 176.32 1smk s PHE 297 N -2.29 2.96 0.34 0.00 5.36 -0.36 -2.37 117.98 121.62 1smk s PHE 297 Ca -0.01 -0.07 0.06 0.00 -0.96 0.00 0.00 56.93 55.94 1smk s PHE 297 Cb -0.01 -3.70 -0.02 0.00 -0.34 0.00 0.00 43.02 38.95 1smk s PHE 297 CO -0.03 -1.08 0.22 1.33 -1.46 0.00 0.00 175.22 174.20 1smk n VAL 298 N 6.00 0.00 -2.35 3.12 0.24 -0.13 0.48 118.33 125.68 1smk n VAL 298 Ca -0.00 -2.31 -0.43 0.00 -2.04 0.00 0.00 64.34 59.56 1smk n VAL 298 Cb 0.47 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 33.86 1smk n VAL 298 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1smk s SER 299 N -3.29 6.54 0.20 -1.34 0.15 -1.26 -0.47 113.70 114.24 1smk s SER 299 Ca 0.32 1.18 0.01 0.00 0.70 0.00 0.00 55.95 58.16 1smk s SER 299 Cb 0.02 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 1smk s SER 299 CO 0.22 -1.20 0.05 -0.94 1.20 0.00 0.00 173.24 172.57 1smk s SER 300 N 3.32 1.09 -0.05 5.45 1.04 -0.98 -4.93 113.70 118.63 1smk s SER 300 Ca 0.60 -1.27 0.08 0.00 0.48 0.00 0.00 55.95 55.84 1smk s SER 300 Cb -0.17 0.16 0.12 0.00 0.10 0.00 0.00 66.02 66.23 1smk s SER 300 CO 0.26 -0.65 1.07 0.00 0.98 0.00 0.00 173.24 174.89 1smk n GLN 301 N -0.32 2.32 0.05 4.02 1.13 -1.26 -4.35 117.38 118.98 1smk n GLN 301 Ca -0.03 -1.94 0.14 0.00 -1.94 0.00 0.00 57.00 53.22 1smk n GLN 301 Cb 0.65 -1.21 0.61 0.00 0.11 0.00 0.00 30.24 30.40 1smk n GLN 301 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1smk h VAL 302 N 0.04 0.87 -3.89 5.09 2.07 -1.91 -3.44 116.25 115.09 1smk h VAL 302 Ca 0.00 -0.05 -0.32 0.00 0.82 0.00 0.00 66.70 67.16 1smk h VAL 302 Cb 0.71 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 1smk h VAL 302 CO 0.00 0.03 -0.31 0.35 0.02 0.00 0.00 177.57 177.66 1smk n THR 303 N -4.46 0.00 1.29 2.57 -2.24 -1.26 -4.94 114.28 105.24 1smk n THR 303 Ca 0.06 -1.60 0.03 0.00 -2.27 0.00 0.00 64.05 60.27 1smk n THR 303 Cb 0.37 0.80 0.19 0.00 -2.10 0.00 0.00 70.33 69.58 1smk n THR 303 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1smk n GLU 304 N -0.42 0.64 -4.09 -0.78 -0.58 -1.26 -4.69 120.64 109.46 1smk n GLU 304 Ca 0.05 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.44 1smk n GLU 304 Cb 0.40 -1.16 -0.09 0.00 -0.57 0.00 0.00 31.44 30.02 1smk n GLU 304 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1smk s LEU 305 N -1.31 3.84 0.64 -4.62 1.02 -1.26 -5.00 118.68 111.98 1smk s LEU 305 Ca 0.10 0.16 0.42 0.00 0.02 0.00 0.00 54.13 54.83 1smk s LEU 305 Cb 0.04 -1.94 2.18 0.00 0.02 0.00 0.00 46.19 46.49 1smk s LEU 305 CO 0.07 0.27 2.28 1.55 0.02 0.00 0.00 176.35 180.54 1smk h PRO 306 N 6.00 0.00 -3.92 1.29 0.13 -1.84 -3.42 132.00 130.24 1smk h PRO 306 Ca -0.43 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.44 1smk h PRO 306 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 1smk h PRO 306 CO 0.64 0.00 -0.73 -0.06 -0.23 0.00 0.00 178.00 177.62 1smk s PHE 307 N -4.03 0.15 0.08 1.56 0.40 -1.26 -2.33 117.98 112.56 1smk s PHE 307 Ca -0.03 -0.05 -0.26 0.00 -0.60 0.00 0.00 56.93 55.98 1smk s PHE 307 Cb 0.12 -0.10 0.08 0.00 0.51 0.00 0.00 43.02 43.63 1smk s PHE 307 CO 0.44 -0.01 0.79 0.12 0.70 0.00 0.00 175.22 177.26 1smk s PHE 308 N -0.12 -0.38 -0.12 0.36 5.36 0.38 -4.86 117.98 118.61 1smk s PHE 308 Ca -0.00 0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 56.11 1smk s PHE 308 Cb -0.01 0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 43.20 1smk s PHE 308 CO -0.00 -0.71 0.04 0.00 -1.46 0.00 0.00 175.22 173.09 1smk s ALA 309 N -3.39 3.41 0.21 11.12 0.00 0.28 -0.96 121.76 132.44 1smk s ALA 309 Ca 0.05 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 1smk s ALA 309 Cb -0.01 -1.70 0.07 0.00 0.00 0.00 0.00 23.12 21.48 1smk s ALA 309 CO -0.08 0.45 0.91 -1.13 0.00 0.00 0.00 175.76 175.91 1smk n SER 310 N 2.60 -1.73 -4.76 0.00 3.41 -1.00 -1.87 113.62 110.27 1smk n SER 310 Ca -0.18 -1.98 -0.40 0.00 -0.26 0.00 0.00 58.87 56.04 1smk n SER 310 Cb 0.53 2.83 -0.04 0.00 -0.26 0.00 0.00 64.21 67.28 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 -2.05 4.55 -0.01 4.33 1.02 -1.26 -1.68 119.74 124.63 1smk s LYS 311 Ca 0.20 1.91 -0.01 0.00 0.02 0.00 0.00 55.97 58.09 1smk s LYS 311 Cb -0.03 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1smk s LYS 311 CO 0.06 0.08 0.03 0.14 -0.92 0.00 0.00 175.35 174.74 1smk s VAL 312 N -1.02 -0.01 -0.01 3.17 -7.23 -0.35 -1.95 120.40 112.99 1smk s VAL 312 Ca 0.47 0.04 -0.20 0.00 -1.81 0.00 0.00 61.98 60.47 1smk s VAL 312 Cb -0.34 -0.05 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 1smk s VAL 312 CO 0.43 0.02 0.58 -0.60 -0.31 0.00 0.00 175.10 175.22 1smk s ARG 313 N 0.21 4.30 -0.19 4.82 3.52 -0.81 -2.03 118.95 128.77 1smk s ARG 313 Ca -0.02 0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 56.22 1smk s ARG 313 Cb -0.02 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 1smk s ARG 313 CO -0.01 0.37 0.04 -0.51 -0.81 0.00 0.00 175.30 174.38 1smk s LEU 314 N -0.18 3.58 0.00 -0.88 1.43 0.35 -1.47 118.68 121.51 1smk s LEU 314 Ca 0.30 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1smk s LEU 314 Cb -0.18 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1smk s LEU 314 CO 0.16 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1smk n GLY 315 N 3.82 5.74 0.24 -3.19 0.00 0.18 -4.35 105.19 107.63 1smk n GLY 315 Ca -0.17 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.24 1.61 3.08 -1.70 -2.47 114.38 114.65 1smk h ARG 316 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1smk h ARG 316 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1smk h ARG 316 CO 0.00 0.19 0.00 0.09 -1.07 0.00 0.00 179.97 179.18 1smk n ASN 317 N -3.81 3.18 0.00 7.04 3.02 -1.26 -4.78 115.26 118.65 1smk n ASN 317 Ca -0.02 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 1smk n ASN 317 Cb 0.29 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.19 1.14 3.58 7.41 0.00 -0.96 -4.62 105.19 111.55 1smk n GLY 318 Ca 0.15 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 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 3.27 -0.09 -0.61 1.01 -0.62 0.50 121.20 124.67 1smk s ILE 319 Ca 0.00 0.24 0.15 0.00 0.00 0.00 0.00 60.65 61.04 1smk s ILE 319 Cb 0.00 -3.46 -0.14 0.00 0.01 0.00 0.00 42.46 38.88 1smk s ILE 319 CO 0.00 -0.35 0.92 -0.33 0.00 0.00 0.00 174.94 175.17 1smk h GLU 320 N 14.91 0.00 -1.70 2.79 4.39 -1.59 -3.47 114.58 129.90 1smk h GLU 320 Ca -0.32 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.41 1smk h GLU 320 Cb 1.20 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.61 1smk h GLU 320 CO 1.07 0.43 0.39 -2.00 -1.16 0.00 0.00 179.01 177.74 1smk s GLU 321 N -2.84 0.64 -0.36 2.33 2.12 -1.25 -4.99 118.70 114.36 1smk s GLU 321 Ca -0.02 0.54 -0.04 0.00 0.36 0.00 0.00 54.97 55.81 1smk s GLU 321 Cb 0.08 0.31 0.07 0.00 0.26 0.00 0.00 34.13 34.85 1smk s GLU 321 CO 0.81 -0.12 0.11 0.08 -0.54 0.00 0.00 175.26 175.60 1smk s VAL 322 N -0.17 3.34 0.94 3.70 1.01 -1.26 -1.92 120.40 126.04 1smk s VAL 322 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 1smk s VAL 322 Cb -0.04 -3.06 0.16 0.00 0.00 0.00 0.00 36.38 33.44 1smk s VAL 322 CO -0.02 -0.36 1.09 -0.31 0.00 0.00 0.00 175.10 175.50 1smk s TYR 323 N 1.25 2.06 0.28 5.22 2.02 -0.82 -4.98 117.35 122.38 1smk s TYR 323 Ca 0.01 1.33 -0.00 0.00 -0.37 0.00 0.00 57.07 58.04 1smk s TYR 323 Cb -0.21 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.14 1smk s TYR 323 CO -0.01 -2.69 0.48 -1.54 -1.57 0.00 0.00 175.55 170.21 1smk s SER 324 N -3.16 6.35 0.40 2.29 1.04 -1.26 -4.67 113.70 114.69 1smk s SER 324 Ca 0.65 0.43 0.16 0.00 0.48 0.00 0.00 55.95 57.66 1smk s SER 324 Cb -0.20 -2.02 1.03 0.00 0.10 0.00 0.00 66.02 64.93 1smk s SER 324 CO 0.58 -0.18 1.85 -0.07 0.98 0.00 0.00 173.24 176.41 1smk h LEU 325 N 1.32 0.46 0.00 2.42 3.38 -1.96 -3.46 115.31 117.47 1smk h LEU 325 Ca -0.49 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1smk h LEU 325 Cb 1.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1smk h LEU 325 CO 0.64 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1smk n GLY 326 N -1.49 -1.76 3.64 0.83 0.00 -1.26 -4.87 105.19 100.27 1smk n GLY 326 Ca 0.19 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 4.00 -0.00 1.61 0.04 -1.26 -5.02 135.00 134.36 1smk s PRO 327 Ca 0.00 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.67 1smk s PRO 327 Cb 0.00 -3.90 -0.02 0.00 0.04 0.00 0.00 34.50 30.62 1smk s PRO 327 CO 0.00 -1.02 -0.24 -0.51 0.04 0.00 0.00 177.00 175.26 1smk s LEU 328 N 4.31 2.19 0.89 -3.56 1.02 -1.26 -4.81 118.68 117.46 1smk s LEU 328 Ca 0.61 -0.47 -0.12 0.00 0.02 0.00 0.00 54.13 54.17 1smk s LEU 328 Cb -0.22 -1.36 0.17 0.00 0.02 0.00 0.00 46.19 44.80 1smk s LEU 328 CO 0.23 0.30 1.23 0.54 0.02 0.00 0.00 176.35 178.67 1smk s ASN 329 N -0.85 3.54 0.15 2.29 2.20 -1.26 -4.77 114.94 116.24 1smk s ASN 329 Ca 0.11 0.15 -0.21 0.00 -0.94 0.00 0.00 52.86 51.97 1smk s ASN 329 Cb -0.10 -0.32 0.03 0.00 -2.00 0.00 0.00 41.25 38.85 1smk s ASN 329 CO 0.00 -2.44 1.65 -0.08 -2.94 0.00 0.00 177.10 173.29 1smk h GLU 330 N -1.31 -0.17 -0.26 3.55 4.22 -2.01 -0.48 114.58 118.13 1smk h GLU 330 Ca -0.43 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.09 1smk h GLU 330 Cb 1.25 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.47 1smk h GLU 330 CO 0.41 -0.11 -0.22 -0.92 -2.18 0.00 0.00 179.01 175.99 1smk h TYR 331 N -0.17 -0.57 -0.41 0.92 3.20 -1.99 -1.79 116.97 116.16 1smk h TYR 331 Ca 0.13 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1smk h TYR 331 Cb 0.38 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1smk h TYR 331 CO -0.34 -0.30 -0.05 0.93 -1.64 0.00 0.00 178.16 176.76 1smk h GLU 332 N -0.21 0.68 0.00 1.82 5.08 -1.82 -0.59 114.58 119.54 1smk h GLU 332 Ca 0.14 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1smk h GLU 332 Cb 0.43 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1smk h GLU 332 CO -0.38 0.73 -0.37 0.00 -1.00 0.00 0.00 179.01 177.99 1smk h ARG 333 N 0.63 0.00 0.02 2.33 3.08 -0.63 0.26 114.38 120.07 1smk h ARG 333 Ca 0.12 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.95 1smk h ARG 333 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1smk h ARG 333 CO 0.02 0.37 -0.96 0.82 -1.07 0.00 0.00 179.97 179.15 1smk h ILE 334 N 0.00 1.47 -0.20 2.04 1.08 -0.90 -2.13 117.51 118.88 1smk h ILE 334 Ca -0.00 -2.66 -0.05 0.00 -0.39 0.00 0.00 64.86 61.75 1smk h ILE 334 Cb 0.69 2.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 1smk h ILE 334 CO 0.05 0.78 -0.08 1.23 -0.69 0.00 0.00 178.15 179.44 1smk h GLY 335 N 1.64 0.44 0.67 5.37 0.00 -0.43 -2.10 103.07 108.65 1smk h GLY 335 Ca -0.07 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 46.95 1smk h GLY 335 CO 0.16 0.35 0.57 -2.00 0.00 0.00 0.00 176.54 175.61 1smk h LEU 336 N 0.10 0.88 -0.27 3.11 5.85 -0.52 0.22 115.31 124.68 1smk h LEU 336 Ca 0.04 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1smk h LEU 336 Cb 0.56 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1smk h LEU 336 CO 0.03 0.54 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.51 1smk h GLU 337 N 1.01 -0.02 -0.29 1.25 4.57 -1.05 0.10 114.58 120.15 1smk h GLU 337 Ca 0.41 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.56 1smk h GLU 337 Cb 0.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1smk h GLU 337 CO -0.20 -0.01 0.06 0.87 -1.18 0.00 0.00 179.01 178.55 1smk h LYS 338 N -0.02 0.47 0.11 1.92 1.57 -0.60 -2.75 116.57 117.27 1smk h LYS 338 Ca 0.13 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1smk h LYS 338 Cb 0.22 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1smk h LYS 338 CO -0.29 0.56 -0.45 0.00 -0.57 0.00 0.00 179.45 178.71 1smk h ALA 339 N 0.89 -0.80 -0.85 3.86 0.00 -0.01 -1.62 119.26 120.72 1smk h ALA 339 Ca 0.09 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1smk h ALA 339 Cb 0.31 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 1smk h ALA 339 CO 0.00 -1.02 0.42 0.87 0.00 0.00 0.00 179.25 179.52 1smk h LYS 340 N -0.68 0.54 0.37 0.00 1.57 -0.82 0.34 116.57 117.90 1smk h LYS 340 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1smk h LYS 340 Cb 0.70 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1smk h LYS 340 CO -0.26 0.36 -0.47 0.87 -0.57 0.00 0.00 179.45 179.38 1smk h LYS 341 N 0.56 -0.83 -0.43 3.15 1.57 -1.00 -0.55 116.57 119.04 1smk h LYS 341 Ca 0.48 0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 59.18 1smk h LYS 341 Cb 0.74 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1smk h LYS 341 CO -0.40 -0.55 -0.28 1.49 -0.57 0.00 0.00 179.45 179.13 1smk h GLU 342 N -0.86 0.95 -0.80 3.15 4.81 -1.06 -3.16 114.58 117.61 1smk h GLU 342 Ca -0.04 -0.44 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1smk h GLU 342 Cb 0.77 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1smk h GLU 342 CO -0.11 1.10 0.52 1.25 -0.73 0.00 0.00 179.01 181.04 1smk h LEU 343 N 0.80 0.72 -0.26 1.64 5.85 -0.18 -2.10 115.31 121.77 1smk h LEU 343 Ca 0.09 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1smk h LEU 343 Cb 0.86 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1smk h LEU 343 CO 0.08 0.45 0.11 0.00 -0.34 0.00 0.00 178.44 178.74 1smk h ALA 344 N 1.58 0.31 -0.33 1.25 0.00 -1.06 -1.43 119.26 119.58 1smk h ALA 344 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1smk h ALA 344 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1smk h ALA 344 CO -0.13 -0.29 0.22 0.78 0.00 0.00 0.00 179.25 179.83 1smk h GLY 345 N 0.24 0.47 0.71 0.00 0.00 -1.48 -1.70 103.07 101.31 1smk h GLY 345 Ca 0.11 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1smk h GLY 345 CO -0.10 0.17 0.20 1.76 0.00 0.00 0.00 176.54 178.57 1smk h SER 346 N 0.45 0.26 0.20 0.19 0.02 -1.18 0.13 113.55 113.62 1smk h SER 346 Ca 0.12 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1smk h SER 346 Cb -0.05 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1smk h SER 346 CO -0.03 0.19 -0.10 0.40 -1.14 0.00 0.00 176.83 176.16 1smk h ILE 347 N 0.39 0.82 -0.98 3.27 2.04 -1.05 -2.48 117.51 119.53 1smk h ILE 347 Ca 0.19 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.98 1smk h ILE 347 Cb 0.13 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1smk h ILE 347 CO -0.16 0.02 0.65 -0.08 0.00 0.00 0.00 178.15 178.58 1smk h GLU 348 N -0.31 1.26 -0.73 2.37 4.57 -1.12 0.26 114.58 120.87 1smk h GLU 348 Ca -0.03 -0.08 0.13 0.00 -1.18 0.00 0.00 59.36 58.21 1smk h GLU 348 Cb 0.24 -0.29 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 1smk h GLU 348 CO 0.05 0.84 0.49 -0.22 -1.18 0.00 0.00 179.01 178.98 1smk h LYS 349 N 1.30 0.45 0.12 1.92 3.64 -0.38 0.58 116.57 124.19 1smk h LYS 349 Ca 0.37 -0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 59.39 1smk h LYS 349 Cb -0.10 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1smk h LYS 349 CO -0.09 0.30 -1.81 0.78 -2.27 0.00 0.00 179.45 176.35 1smk h GLY 350 N 0.46 0.29 0.86 5.01 0.00 -0.79 -2.90 103.07 106.00 1smk h GLY 350 Ca 0.35 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1smk h GLY 350 CO -0.12 0.64 0.00 -0.62 0.00 0.00 0.00 176.54 176.44 1smk n VAL 351 N -3.67 0.00 -0.10 4.60 0.31 0.79 -2.49 118.33 117.78 1smk n VAL 351 Ca -0.30 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.83 1smk n VAL 351 Cb 0.99 -0.70 -0.07 0.00 -0.91 0.00 0.00 33.84 33.15 1smk n VAL 351 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1smk n SER 352 N -0.93 1.45 -0.52 4.52 2.88 0.16 -4.02 113.62 117.15 1smk n SER 352 Ca 0.09 0.25 0.43 0.00 -1.33 0.00 0.00 58.87 58.32 1smk n SER 352 Cb 0.04 -0.60 0.75 0.00 -0.75 0.00 0.00 64.21 63.66 1smk n SER 352 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1smk h PHE 353 N -0.72 0.15 0.01 0.66 3.57 -1.26 -1.85 116.94 117.50 1smk h PHE 353 Ca -0.46 0.01 -0.32 0.00 3.53 0.00 0.00 57.97 60.73 1smk h PHE 353 Cb 1.37 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.03 1smk h PHE 353 CO -0.09 -0.05 -1.76 -0.89 -2.23 0.00 0.00 178.31 173.29 1smk n ILE 354 N -4.21 1.56 -0.26 1.41 2.08 -1.22 -4.32 119.36 114.40 1smk n ILE 354 Ca 0.37 -0.22 0.22 0.00 0.56 0.00 0.00 62.75 63.68 1smk n ILE 354 Cb 1.62 -1.94 0.55 0.00 -0.75 0.00 0.00 39.64 39.12 1smk n ILE 354 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1smk h ARG 355 N -0.85 0.32 -0.01 0.38 2.47 -1.52 -3.51 114.38 111.66 1smk h ARG 355 Ca -0.47 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1smk h ARG 355 Cb 1.49 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1smk h ARG 355 CO -0.24 0.21 0.00 0.43 0.56 0.00 0.00 179.97 180.93