#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 3.30 -0.19 1.61 0.08 0.17 -4.62 117.98 118.32 1smk s PHE 45 Ca 0.00 0.09 -0.11 0.00 0.12 0.00 0.00 56.93 57.03 1smk s PHE 45 Cb 0.00 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.78 1smk s PHE 45 CO 0.00 0.53 0.18 0.15 -0.10 0.00 0.00 175.22 175.99 1smk s LYS 46 N -2.77 4.21 -0.04 0.44 1.02 -1.26 -0.39 119.74 120.96 1smk s LYS 46 Ca 0.32 -0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.22 1smk s LYS 46 Cb -0.12 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1smk s LYS 46 CO 0.25 0.28 -0.11 0.08 -0.92 0.00 0.00 175.35 174.92 1smk s VAL 47 N 0.40 0.98 -0.04 3.17 1.01 0.35 -0.36 120.40 125.93 1smk s VAL 47 Ca 0.11 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1smk s VAL 47 Cb -0.12 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1smk s VAL 47 CO -0.00 0.30 -0.24 0.00 0.00 0.00 0.00 175.10 175.16 1smk s ALA 48 N 0.27 2.02 -0.21 5.51 0.00 -0.23 0.30 121.76 129.42 1smk s ALA 48 Ca -0.06 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 1smk s ALA 48 Cb -0.11 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1smk s ALA 48 CO 0.01 0.45 -0.09 0.42 0.00 0.00 0.00 175.76 176.55 1smk s ILE 49 N -0.36 2.93 -0.40 0.00 1.01 0.67 -1.21 121.20 123.84 1smk s ILE 49 Ca 0.03 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 1smk s ILE 49 Cb -0.11 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1smk s ILE 49 CO 0.01 0.44 0.47 -0.76 0.00 0.00 0.00 174.94 175.09 1smk s LEU 50 N 1.41 4.65 0.00 2.97 1.43 -0.25 -1.52 118.68 127.37 1smk s LEU 50 Ca 0.05 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1smk s LEU 50 Cb -0.14 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1smk s LEU 50 CO -0.06 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1smk n GLY 51 N 5.02 1.03 0.01 -3.19 0.00 0.34 -1.56 105.19 106.84 1smk n GLY 51 Ca -0.06 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.37 1.73 1.27 4.61 0.00 -0.31 -3.11 120.51 124.34 1smk n ALA 52 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1smk n ALA 52 Cb 0.07 -1.27 0.36 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.52 2.97 -1.75 0.00 0.00 -1.26 -1.41 120.51 117.54 1smk n ALA 53 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1smk n ALA 53 Cb 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.31 0.03 0.11 0.00 0.00 -1.18 -4.69 105.19 100.76 1smk n GLY 54 Ca 0.14 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 0.26 0.44 -0.02 0.00 -1.93 -1.88 103.07 99.94 1smk h GLY 55 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 1smk h GLY 55 CO 0.00 0.02 -0.38 -2.22 0.00 0.00 0.00 176.54 173.97 1smk h ILE 56 N 0.17 1.58 -0.69 2.60 2.04 -1.90 -3.38 117.51 117.93 1smk h ILE 56 Ca 0.09 -2.21 0.13 0.00 1.00 0.00 0.00 64.86 63.88 1smk h ILE 56 Cb 0.07 3.01 -0.09 0.00 -0.74 0.00 0.00 36.82 39.06 1smk h ILE 56 CO -0.10 0.61 0.21 1.23 0.00 0.00 0.00 178.15 180.10 1smk h GLY 57 N -0.54 0.98 0.90 5.37 0.00 -1.65 -1.25 103.07 106.87 1smk h GLY 57 Ca -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1smk h GLY 57 CO 0.07 -0.13 -0.30 1.46 0.00 0.00 0.00 176.54 177.65 1smk h GLN 58 N 0.34 -0.80 -0.31 4.80 4.20 -0.38 0.30 115.11 123.25 1smk h GLN 58 Ca 0.38 0.05 -0.05 0.00 0.06 0.00 0.00 58.65 59.10 1smk h GLN 58 Cb 0.59 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1smk h GLN 58 CO -0.43 -0.50 -0.01 -1.00 -0.67 0.00 0.00 178.83 176.22 1smk h PRO 59 N -0.95 0.48 -0.43 1.46 0.13 -1.72 -1.17 132.00 129.80 1smk h PRO 59 Ca -0.09 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 64.90 1smk h PRO 59 Cb 0.68 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1smk h PRO 59 CO 0.14 0.52 0.07 1.25 -0.23 0.00 0.00 178.00 179.74 1smk h LEU 60 N 0.46 0.61 -0.49 1.56 5.85 -1.04 -1.22 115.31 121.04 1smk h LEU 60 Ca 0.10 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1smk h LEU 60 Cb 0.32 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1smk h LEU 60 CO 0.01 0.64 -0.39 0.00 -0.34 0.00 0.00 178.44 178.36 1smk h ALA 61 N 1.44 0.67 -0.49 1.25 0.00 0.56 -1.28 119.26 121.41 1smk h ALA 61 Ca 0.14 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1smk h ALA 61 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1smk h ALA 61 CO 0.00 0.67 0.12 1.98 0.00 0.00 0.00 179.25 182.02 1smk h MET 62 N 0.67 0.79 -0.36 0.00 1.85 -0.77 -1.24 114.93 115.87 1smk h MET 62 Ca 0.06 -0.19 -0.11 0.00 -0.61 0.00 0.00 59.70 58.85 1smk h MET 62 Cb 0.95 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.86 1smk h MET 62 CO 0.09 0.76 -0.23 -0.07 -0.40 0.00 0.00 176.91 177.07 1smk h LEU 63 N 0.67 0.71 -0.68 3.39 3.38 -1.13 -2.62 115.31 119.04 1smk h LEU 63 Ca 0.15 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1smk h LEU 63 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1smk h LEU 63 CO 0.00 0.92 -0.35 0.24 0.09 0.00 0.00 178.44 179.34 1smk h MET 64 N 0.62 0.63 -0.16 1.13 2.86 -1.01 -1.88 114.93 117.12 1smk h MET 64 Ca 0.09 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1smk h MET 64 Cb 0.71 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1smk h MET 64 CO 0.05 0.89 0.12 -0.22 1.06 0.00 0.00 176.91 178.82 1smk h LYS 65 N 0.53 0.00 0.00 1.72 1.63 -0.96 -0.22 116.57 119.28 1smk h LYS 65 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1smk h LYS 65 Cb 0.85 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1smk h LYS 65 CO 0.07 0.00 -0.23 0.52 -3.45 0.00 0.00 179.45 176.36 1smk h MET 66 N 0.00 0.00 -6.43 1.90 2.86 -0.99 -3.39 114.93 108.89 1smk h MET 66 Ca 0.08 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.15 1smk h MET 66 Cb 0.32 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1smk h MET 66 CO -0.00 0.00 0.98 1.21 1.06 0.00 0.00 176.91 180.16 1smk s ASN 67 N -4.81 6.61 0.65 1.22 3.84 -0.10 -4.91 114.94 117.45 1smk s ASN 67 Ca 0.08 1.03 0.36 0.00 0.21 0.00 0.00 52.86 54.55 1smk s ASN 67 Cb 0.11 -2.54 2.01 0.00 -0.55 0.00 0.00 41.25 40.28 1smk s ASN 67 CO 0.66 -1.17 2.18 1.55 -2.79 0.00 0.00 177.10 177.53 1smk h PRO 68 N 9.52 0.00 0.00 0.43 0.13 -1.87 -0.48 132.00 139.73 1smk h PRO 68 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1smk h PRO 68 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1smk h PRO 68 CO 1.06 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.11 1smk n LEU 69 N -3.20 0.51 -4.58 1.56 4.77 -1.26 -4.67 117.00 110.14 1smk n LEU 69 Ca -0.02 0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 56.11 1smk n LEU 69 Cb 0.22 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1smk n LEU 69 CO 0.20 -0.19 0.42 -0.69 -1.33 0.00 0.00 177.39 175.79 1smk s VAL 70 N -3.10 4.87 -0.16 4.08 1.01 -0.19 0.42 120.40 127.34 1smk s VAL 70 Ca 0.10 0.70 -0.14 0.00 0.00 0.00 0.00 61.98 62.64 1smk s VAL 70 Cb 0.13 -4.09 -0.23 0.00 0.00 0.00 0.00 36.38 32.20 1smk s VAL 70 CO 0.52 -0.30 0.32 0.77 0.00 0.00 0.00 175.10 176.41 1smk h SER 71 N 8.41 0.23 -4.23 3.32 4.64 -0.98 -2.86 113.55 122.08 1smk h SER 71 Ca -0.26 -0.75 -0.61 0.00 -0.47 0.00 0.00 61.79 59.71 1smk h SER 71 Cb 1.11 -0.07 -0.30 0.00 -0.31 0.00 0.00 62.40 62.82 1smk h SER 71 CO 0.84 1.67 -0.86 -0.69 -0.87 0.00 0.00 176.83 176.93 1smk s VAL 72 N -2.46 1.65 -0.11 0.95 1.01 -1.14 -0.38 120.40 119.92 1smk s VAL 72 Ca -0.25 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1smk s VAL 72 Cb 0.06 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1smk s VAL 72 CO 0.69 0.47 -0.06 -0.22 0.00 0.00 0.00 175.10 175.98 1smk s LEU 73 N -0.30 1.08 -0.23 3.92 2.96 0.44 -0.49 118.68 126.05 1smk s LEU 73 Ca 0.03 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 1smk s LEU 73 Cb -0.10 -0.77 -0.02 0.00 0.50 0.00 0.00 46.19 45.80 1smk s LEU 73 CO 0.01 -0.13 0.02 -1.00 -1.32 0.00 0.00 176.35 173.92 1smk s HIS 74 N 1.76 3.04 -0.37 5.38 3.76 0.15 -1.57 115.29 127.43 1smk s HIS 74 Ca 0.05 -0.58 -0.12 0.00 -0.15 0.00 0.00 55.06 54.25 1smk s HIS 74 Cb -0.13 -2.17 0.01 0.00 1.11 0.00 0.00 32.58 31.41 1smk s HIS 74 CO -0.08 -0.39 0.23 -0.51 -0.85 0.00 0.00 174.74 173.15 1smk s LEU 75 N 1.45 4.74 0.15 0.89 1.43 -0.42 -0.24 118.68 126.68 1smk s LEU 75 Ca 0.05 -0.82 0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1smk s LEU 75 Cb -0.15 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1smk s LEU 75 CO 0.01 -0.36 -0.10 -0.47 0.23 0.00 0.00 176.35 175.66 1smk s TYR 76 N 1.63 2.67 0.00 0.29 6.14 -0.57 -1.04 117.35 126.47 1smk s TYR 76 Ca 0.04 -0.20 0.00 0.00 0.64 0.00 0.00 57.07 57.55 1smk s TYR 76 Cb -0.19 -1.34 0.00 0.00 0.42 0.00 0.00 41.96 40.85 1smk s TYR 76 CO 0.08 0.47 0.00 -3.47 0.64 0.00 0.00 175.55 173.28 1smk n ASP 77 N 0.30 0.00 0.05 4.32 -0.08 -1.08 -0.51 116.55 119.55 1smk n ASP 77 Ca -0.12 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.28 1smk n ASP 77 Cb 0.54 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.24 1smk n ASP 77 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1smk n VAL 78 N -0.04 0.29 -3.82 5.18 0.24 -1.26 -1.76 118.33 117.16 1smk n VAL 78 Ca 0.00 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 1smk n VAL 78 Cb 0.00 -0.12 -0.09 0.00 -1.47 0.00 0.00 33.84 32.15 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 -3.12 0.07 0.00 3.34 -7.23 -1.26 -4.30 120.40 107.90 1smk s VAL 79 Ca 0.08 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1smk s VAL 79 Cb 0.14 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.56 1smk s VAL 79 CO 0.69 -0.31 0.00 0.59 -0.31 0.00 0.00 175.10 175.76 1smk n ASN 80 N 1.39 -4.33 -0.26 4.85 3.02 -1.26 -4.69 115.26 113.98 1smk n ASN 80 Ca -0.22 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.34 1smk n ASN 80 Cb 0.56 -3.01 0.14 0.00 -0.61 0.00 0.00 39.78 36.86 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 1.03 -0.44 5.41 0.00 -1.86 -2.41 119.26 121.00 1smk h ALA 81 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1smk h ALA 81 Cb 0.72 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1smk h ALA 81 CO 0.00 0.04 0.18 -1.35 0.00 0.00 0.00 179.25 178.12 1smk h PRO 82 N 0.70 0.36 0.16 0.00 0.11 -1.88 -1.38 132.00 130.07 1smk h PRO 82 Ca 0.35 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1smk h PRO 82 Cb 0.31 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1smk h PRO 82 CO -0.24 0.24 -0.09 0.78 -0.21 0.00 0.00 178.00 178.48 1smk h GLY 83 N 0.37 -0.23 0.83 -0.55 0.00 -1.85 -0.75 103.07 100.88 1smk h GLY 83 Ca 0.20 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.66 1smk h GLY 83 CO -0.19 -0.09 0.29 -2.08 0.00 0.00 0.00 176.54 174.48 1smk h VAL 84 N -0.23 1.02 -0.57 4.60 2.07 -1.40 -1.15 116.25 120.59 1smk h VAL 84 Ca -0.02 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1smk h VAL 84 Cb 0.19 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1smk h VAL 84 CO 0.03 0.11 0.35 0.74 0.02 0.00 0.00 177.57 178.81 1smk h THR 85 N 0.58 1.07 -0.63 2.57 2.02 -1.05 0.17 112.91 117.64 1smk h THR 85 Ca 0.21 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1smk h THR 85 Cb 0.06 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1smk h THR 85 CO -0.11 0.13 0.28 0.00 0.37 0.00 0.00 175.52 176.18 1smk h ALA 86 N 1.25 0.81 0.42 6.16 0.00 -0.70 0.77 119.26 127.97 1smk h ALA 86 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1smk h ALA 86 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1smk h ALA 86 CO -0.09 0.40 -0.33 0.22 0.00 0.00 0.00 179.25 179.44 1smk h ASP 87 N 0.87 -0.87 -0.48 0.00 1.82 -0.53 -3.07 116.42 114.17 1smk h ASP 87 Ca 0.21 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.85 1smk h ASP 87 Cb 0.15 0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 1smk h ASP 87 CO -0.02 -0.49 0.03 0.40 -1.61 0.00 0.00 179.24 177.55 1smk h ILE 88 N -0.75 1.25 0.00 2.25 2.04 -0.37 -3.00 117.51 118.93 1smk h ILE 88 Ca -0.04 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1smk h ILE 88 Cb 0.65 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1smk h ILE 88 CO -0.01 0.36 0.17 0.77 0.00 0.00 0.00 178.15 179.44 1smk h SER 89 N 0.82 0.00 1.06 1.72 4.64 0.65 -0.39 113.55 122.06 1smk h SER 89 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1smk h SER 89 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1smk h SER 89 CO 0.02 0.00 -0.03 1.41 -0.87 0.00 0.00 176.83 177.36 1smk n HIS 90 N -2.95 0.16 -2.24 4.77 8.25 -1.13 -4.82 115.22 117.26 1smk n HIS 90 Ca -0.02 0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1smk n HIS 90 Cb 0.23 -0.57 -0.03 0.00 1.12 0.00 0.00 29.99 30.74 1smk n HIS 90 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1smk s MET 91 N -3.02 4.30 -1.39 -0.41 1.00 -0.16 -4.91 119.30 114.71 1smk s MET 91 Ca 0.13 1.95 -0.13 0.00 0.00 0.00 0.00 55.69 57.64 1smk s MET 91 Cb 0.18 -3.54 -0.02 0.00 0.00 0.00 0.00 34.83 31.45 1smk s MET 91 CO 0.55 -0.54 2.37 -0.40 0.00 0.00 0.00 175.02 177.00 1smk n ASP 92 N 5.18 5.02 -4.36 3.03 5.75 -1.26 -4.86 116.55 125.05 1smk n ASP 92 Ca 0.13 -2.72 -0.21 0.00 -0.01 0.00 0.00 54.79 51.97 1smk n ASP 92 Cb 0.44 -1.54 -0.10 0.00 -1.03 0.00 0.00 41.12 38.89 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 3.16 0.93 0.07 2.12 -4.23 -1.26 -5.09 115.64 111.34 1smk s THR 93 Ca 0.54 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.78 1smk s THR 93 Cb 0.15 -2.68 -0.17 0.00 1.34 0.00 0.00 72.50 71.14 1smk s THR 93 CO -0.05 0.00 1.60 1.23 -0.54 0.00 0.00 174.62 176.86 1smk h GLY 94 N 2.13 -0.36 -5.10 3.99 0.00 -1.88 -3.44 103.07 98.41 1smk h GLY 94 Ca -0.39 0.13 -0.65 0.00 0.00 0.00 0.00 47.33 46.42 1smk h GLY 94 CO 0.65 -0.13 0.28 0.00 0.00 0.00 0.00 176.54 177.35 1smk n ALA 95 N -2.28 -0.84 -2.71 3.60 0.00 -1.08 -4.90 120.51 112.29 1smk n ALA 95 Ca -0.10 0.47 -0.37 0.00 0.00 0.00 0.00 53.44 53.45 1smk n ALA 95 Cb 0.18 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 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 -0.12 5.30 -0.02 0.00 1.01 0.49 -4.91 120.40 122.14 1smk s VAL 96 Ca 0.75 0.50 0.07 0.00 0.00 0.00 0.00 61.98 63.30 1smk s VAL 96 Cb -0.87 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1smk s VAL 96 CO 0.52 0.53 -0.23 0.54 0.00 0.00 0.00 175.10 176.45 1smk s VAL 97 N -0.49 1.84 0.08 2.92 0.11 -1.26 -0.42 120.40 123.18 1smk s VAL 97 Ca 0.18 -0.99 0.05 0.00 -2.93 0.00 0.00 61.98 58.29 1smk s VAL 97 Cb -0.14 -1.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.15 1smk s VAL 97 CO 0.06 0.52 -0.15 -0.13 -3.33 0.00 0.00 175.10 172.08 1smk s ARG 98 N -0.52 0.88 0.14 1.54 0.52 -0.61 -4.90 118.95 116.00 1smk s ARG 98 Ca 0.08 -1.03 0.07 0.00 -0.52 0.00 0.00 55.73 54.33 1smk s ARG 98 Cb -0.09 -0.88 -0.04 0.00 0.52 0.00 0.00 34.95 34.46 1smk s ARG 98 CO -0.01 0.19 -0.01 0.20 0.02 0.00 0.00 175.30 175.69 1smk s GLY 99 N -1.90 1.78 -0.06 -3.53 0.00 -1.26 -1.30 107.32 101.05 1smk s GLY 99 Ca 0.01 -1.29 -0.02 0.00 0.00 0.00 0.00 44.72 43.42 1smk s GLY 99 CO 0.02 -1.29 0.12 -1.36 0.00 0.00 0.00 173.10 170.60 1smk s PHE 100 N -1.56 -0.11 -0.06 1.90 0.40 -0.21 -4.93 117.98 113.41 1smk s PHE 100 Ca 0.26 0.42 0.05 0.00 -0.60 0.00 0.00 56.93 57.06 1smk s PHE 100 Cb -0.10 -0.19 -0.02 0.00 0.51 0.00 0.00 43.02 43.22 1smk s PHE 100 CO 0.18 -0.18 -0.20 -1.17 0.70 0.00 0.00 175.22 174.55 1smk s LEU 101 N 1.52 2.34 0.33 -0.37 2.96 -1.26 -2.62 118.68 121.58 1smk s LEU 101 Ca -0.05 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1smk s LEU 101 Cb -0.12 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.12 1smk s LEU 101 CO -0.05 0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.85 1smk n GLY 102 N 2.84 -2.89 0.35 7.98 0.00 -0.73 -3.77 105.19 108.98 1smk n GLY 102 Ca -0.17 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.79 0.69 0.00 1.61 5.75 -1.94 0.12 115.11 120.55 1smk h GLN 103 Ca -0.10 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1smk h GLN 103 Cb 0.77 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1smk h GLN 103 CO 0.04 0.46 0.00 1.04 -2.65 0.00 0.00 178.83 177.72 1smk n GLN 104 N -4.81 0.14 -0.00 1.69 6.02 -1.26 -2.12 117.38 117.04 1smk n GLN 104 Ca 0.23 0.62 0.02 0.00 -0.01 0.00 0.00 57.00 57.87 1smk n GLN 104 Cb 0.59 -1.94 0.02 0.00 1.02 0.00 0.00 30.24 29.93 1smk n GLN 104 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1smk n GLN 105 N -2.23 -0.26 -0.04 -1.09 6.02 0.02 -4.68 117.38 115.12 1smk n GLN 105 Ca -0.01 -0.80 0.01 0.00 -0.01 0.00 0.00 57.00 56.19 1smk n GLN 105 Cb 0.04 -1.08 0.31 0.00 1.02 0.00 0.00 30.24 30.53 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 0.84 0.57 -0.63 1.08 5.85 -1.28 -2.58 115.31 119.17 1smk h LEU 106 Ca 0.00 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 1smk h LEU 106 Cb 0.20 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1smk h LEU 106 CO 0.00 0.54 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.16 1smk h GLU 107 N 0.62 0.93 -0.26 1.25 5.08 -1.83 -1.55 114.58 118.82 1smk h GLU 107 Ca 0.15 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 1smk h GLU 107 Cb 0.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1smk h GLU 107 CO -0.01 1.01 -0.20 0.00 -1.00 0.00 0.00 179.01 178.80 1smk h ALA 108 N 1.01 1.18 -0.27 3.43 0.00 -1.82 -0.66 119.26 122.12 1smk h ALA 108 Ca 0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1smk h ALA 108 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1smk h ALA 108 CO 0.05 0.52 -0.23 0.00 0.00 0.00 0.00 179.25 179.60 1smk h ALA 109 N 1.37 0.39 -0.09 0.00 0.00 -1.16 -3.33 119.26 116.44 1smk h ALA 109 Ca 0.07 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1smk h ALA 109 Cb 0.59 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1smk h ALA 109 CO 0.04 0.36 -0.49 -0.07 0.00 0.00 0.00 179.25 179.09 1smk h LEU 110 N 0.37 0.59 -9.18 0.00 3.38 -1.07 -3.44 115.31 105.96 1smk h LEU 110 Ca 0.05 -0.65 -0.72 0.00 0.09 0.00 0.00 57.88 56.65 1smk h LEU 110 Cb 0.78 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.38 1smk h LEU 110 CO 0.06 1.14 0.80 0.41 0.09 0.00 0.00 178.44 180.94 1smk n THR 111 N -4.25 0.24 0.00 0.22 -1.04 -0.27 -1.36 114.28 107.81 1smk n THR 111 Ca -0.08 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1smk n THR 111 Cb 0.59 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 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 3.80 1.77 3.77 3.41 0.00 -1.26 -4.99 105.19 111.68 1smk n GLY 112 Ca 0.24 0.00 -0.40 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 -0.60 3.94 -0.17 1.61 1.00 -0.47 -4.79 119.30 119.82 1smk s MET 113 Ca 0.00 2.22 0.15 0.00 0.00 0.00 0.00 55.69 58.06 1smk s MET 113 Cb 0.00 -2.76 -0.24 0.00 0.00 0.00 0.00 34.83 31.83 1smk s MET 113 CO 0.00 -0.54 0.16 -0.25 0.00 0.00 0.00 175.02 174.39 1smk n ASP 114 N 0.11 0.43 -3.92 3.03 8.00 0.52 -4.48 116.55 120.23 1smk n ASP 114 Ca 0.04 0.07 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 1smk n ASP 114 Cb 0.43 0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 41.98 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 -5.75 1.90 -0.21 0.64 2.96 -0.60 -1.05 118.68 116.58 1smk s LEU 115 Ca -0.12 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1smk s LEU 115 Cb 0.07 -0.21 0.05 0.00 0.50 0.00 0.00 46.19 46.60 1smk s LEU 115 CO 0.80 0.03 -0.04 -0.63 -1.32 0.00 0.00 176.35 175.19 1smk s ILE 116 N 0.05 1.24 -0.18 6.68 1.01 -0.56 -1.07 121.20 128.38 1smk s ILE 116 Ca -0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 1smk s ILE 116 Cb -0.03 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1smk s ILE 116 CO -0.00 -0.04 0.39 -0.63 0.00 0.00 0.00 174.94 174.66 1smk s ILE 117 N 1.54 5.21 -0.60 2.92 1.01 -0.35 0.03 121.20 130.97 1smk s ILE 117 Ca -0.03 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.38 1smk s ILE 117 Cb -0.17 -3.73 0.15 0.00 0.01 0.00 0.00 42.46 38.72 1smk s ILE 117 CO -0.07 0.29 0.37 -0.69 0.00 0.00 0.00 174.94 174.83 1smk s VAL 118 N 1.07 2.61 -0.66 2.92 1.01 0.21 -1.09 120.40 126.47 1smk s VAL 118 Ca 0.20 -3.71 0.25 0.00 0.00 0.00 0.00 61.98 58.72 1smk s VAL 118 Cb -0.14 -2.76 0.13 0.00 0.00 0.00 0.00 36.38 33.60 1smk s VAL 118 CO 0.08 -0.91 1.47 1.55 0.00 0.00 0.00 175.10 177.28 1smk h PRO 119 N 5.98 0.00 -4.49 2.72 0.13 -1.81 0.08 132.00 134.60 1smk h PRO 119 Ca 0.04 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.68 1smk h PRO 119 Cb 0.83 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.06 1smk h PRO 119 CO 0.68 0.00 -0.53 0.00 -0.23 0.00 0.00 178.00 177.92 1smk n ALA 120 N -1.83 -2.48 0.00 -0.56 0.00 -0.60 -4.40 120.51 110.63 1smk n ALA 120 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1smk n ALA 120 Cb 0.44 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.61 3.88 3.83 0.00 0.00 -1.26 -4.38 105.19 108.86 1smk n GLY 121 Ca 0.11 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 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 4.47 0.86 1.61 -7.23 -1.26 -5.06 120.40 111.78 1smk s VAL 122 Ca 0.00 1.34 -0.12 0.00 -1.81 0.00 0.00 61.98 61.39 1smk s VAL 122 Cb 0.00 -3.65 0.10 0.00 0.56 0.00 0.00 36.38 33.40 1smk s VAL 122 CO 0.00 -0.45 1.10 -2.16 -0.31 0.00 0.00 175.10 173.28 1smk s PRO 123 N -3.50 1.59 -1.02 4.82 0.04 -1.26 -4.95 135.00 130.72 1smk s PRO 123 Ca 0.60 0.67 -0.23 0.00 0.04 0.00 0.00 61.00 62.08 1smk s PRO 123 Cb -0.09 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1smk s PRO 123 CO 0.20 -1.97 1.63 0.50 0.04 0.00 0.00 177.00 177.40 1smk s ARG 124 N -5.07 3.29 -0.11 4.56 6.06 -1.26 -4.95 118.95 121.46 1smk s ARG 124 Ca 0.62 -0.96 -0.29 0.00 -2.50 0.00 0.00 55.73 52.60 1smk s ARG 124 Cb -0.16 -5.29 -0.05 0.00 0.06 0.00 0.00 34.95 29.51 1smk s ARG 124 CO 0.55 -2.61 1.78 0.15 -2.50 0.00 0.00 175.30 172.67 1smk s LYS 125 N 5.55 3.90 0.11 5.12 1.02 -1.26 -4.10 119.74 130.08 1smk s LYS 125 Ca 0.54 2.07 -0.28 0.00 0.02 0.00 0.00 55.97 58.33 1smk s LYS 125 Cb -0.02 -4.09 -0.09 0.00 -0.52 0.00 0.00 37.83 33.12 1smk s LYS 125 CO -0.05 -1.19 1.63 -1.00 -0.92 0.00 0.00 175.35 173.83 1smk h PRO 126 N 10.88 -0.49 0.12 -1.68 0.13 -1.93 -3.28 132.00 135.75 1smk h PRO 126 Ca -0.40 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1smk h PRO 126 Cb 1.19 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1smk h PRO 126 CO 0.97 -0.33 -0.14 0.78 -0.23 0.00 0.00 178.00 179.05 1smk h GLY 127 N -0.51 -0.91 -7.43 1.56 0.00 -1.90 -3.36 103.07 90.51 1smk h GLY 127 Ca 0.02 0.41 -0.34 0.00 0.00 0.00 0.00 47.33 47.42 1smk h GLY 127 CO -0.15 -0.32 1.02 1.06 0.00 0.00 0.00 176.54 178.16 1smk s MET 128 N -3.78 2.27 0.00 4.80 -1.94 -1.24 -4.86 119.30 114.54 1smk s MET 128 Ca -0.05 0.58 0.00 0.00 -1.71 0.00 0.00 55.69 54.51 1smk s MET 128 Cb 0.01 -4.68 0.00 0.00 2.01 0.00 0.00 34.83 32.18 1smk s MET 128 CO 0.17 -3.37 0.87 -2.37 -0.01 0.00 0.00 175.02 170.31 1smk n THR 129 N 7.88 0.00 -2.85 2.05 5.66 -1.26 -4.63 114.28 121.13 1smk n THR 129 Ca 0.34 1.32 0.01 0.00 -3.05 0.00 0.00 64.05 62.68 1smk n THR 129 Cb 0.50 -1.78 0.00 0.00 -1.55 0.00 0.00 70.33 67.51 1smk n THR 129 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1smk s ARG 130 N -2.85 0.33 -0.22 1.09 3.52 -1.26 -4.93 118.95 114.63 1smk s ARG 130 Ca 0.00 -0.13 -0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1smk s ARG 130 Cb 0.00 0.03 0.12 0.00 -1.56 0.00 0.00 34.95 33.54 1smk s ARG 130 CO 0.00 -0.47 2.15 -0.25 -0.81 0.00 0.00 175.30 175.92 1smk n ASP 131 N 3.74 6.09 -2.68 -2.12 9.92 -1.26 -4.83 116.55 125.40 1smk n ASP 131 Ca 0.07 -2.86 -0.01 0.00 -0.53 0.00 0.00 54.79 51.47 1smk n ASP 131 Cb 0.62 -1.11 -0.01 0.00 -0.64 0.00 0.00 41.12 39.98 1smk n ASP 131 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1smk n ASP 132 N 0.83 -4.72 0.23 -2.24 5.68 -1.26 -4.79 116.55 110.27 1smk n ASP 132 Ca 0.23 1.11 0.11 0.00 -0.50 0.00 0.00 54.79 55.74 1smk n ASP 132 Cb 0.57 -2.44 0.67 0.00 -1.14 0.00 0.00 41.12 38.78 1smk n ASP 132 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 1smk h LEU 133 N 4.60 0.00 -0.36 -2.12 -0.00 -1.96 -3.13 115.31 112.34 1smk h LEU 133 Ca -0.10 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.82 1smk h LEU 133 Cb 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 1smk h LEU 133 CO 0.00 0.00 -0.21 0.33 -0.00 0.00 0.00 178.44 178.56 1smk n PHE 134 N -4.44 -0.16 -0.31 0.17 7.35 -1.26 0.05 117.46 118.86 1smk n PHE 134 Ca -0.01 0.46 -0.01 0.00 -0.76 0.00 0.00 57.45 57.12 1smk n PHE 134 Cb 0.17 -0.45 0.05 0.00 0.35 0.00 0.00 39.48 39.60 1smk n PHE 134 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1smk h LYS 135 N 0.00 -0.05 0.43 -4.13 1.57 -1.86 0.44 116.57 112.98 1smk h LYS 135 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1smk h LYS 135 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1smk h LYS 135 CO -0.34 -0.03 -0.21 0.82 -0.57 0.00 0.00 179.45 179.12 1smk h ILE 136 N -0.05 0.00 -0.57 1.86 2.04 -0.59 -1.76 117.51 118.44 1smk h ILE 136 Ca 0.33 -0.05 0.12 0.00 1.00 0.00 0.00 64.86 66.26 1smk h ILE 136 Cb 0.59 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.58 1smk h ILE 136 CO -0.87 0.00 -0.01 0.78 0.00 0.00 0.00 178.15 178.05 1smk h ASN 137 N -0.63 -0.27 -0.73 1.72 4.21 -0.88 0.13 115.58 119.14 1smk h ASN 137 Ca -0.06 0.14 0.08 0.00 1.21 0.00 0.00 56.30 57.67 1smk h ASN 137 Cb 0.45 0.25 -0.07 0.00 -1.12 0.00 0.00 38.32 37.84 1smk h ASN 137 CO 0.10 -0.10 0.39 0.00 -1.29 0.00 0.00 177.43 176.53 1smk h ALA 138 N 1.52 1.00 0.14 -0.83 0.00 -0.17 0.50 119.26 121.42 1smk h ALA 138 Ca 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1smk h ALA 138 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1smk h ALA 138 CO -0.49 0.03 -0.07 0.78 0.00 0.00 0.00 179.25 179.50 1smk h GLY 139 N 0.68 -0.19 0.43 0.00 0.00 0.09 -0.65 103.07 103.44 1smk h GLY 139 Ca 0.35 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.81 1smk h GLY 139 CO -0.23 -0.07 -0.05 -2.22 0.00 0.00 0.00 176.54 173.97 1smk h ILE 140 N -0.21 0.72 -0.60 2.60 2.04 0.42 -2.05 117.51 120.43 1smk h ILE 140 Ca -0.02 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1smk h ILE 140 Cb 0.16 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1smk h ILE 140 CO 0.03 0.01 0.29 0.58 0.00 0.00 0.00 178.15 179.05 1smk h VAL 141 N 0.03 0.88 0.28 1.67 2.07 0.22 -1.38 116.25 120.03 1smk h VAL 141 Ca 0.15 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1smk h VAL 141 Cb 0.22 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1smk h VAL 141 CO -0.29 0.10 -0.20 0.50 0.02 0.00 0.00 177.57 177.69 1smk h LYS 142 N 0.52 -0.46 -0.72 1.57 3.64 -0.46 0.19 116.57 120.86 1smk h LYS 142 Ca 0.28 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1smk h LYS 142 Cb 0.25 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1smk h LYS 142 CO -0.22 -0.31 0.46 1.79 -2.27 0.00 0.00 179.45 178.89 1smk h THR 143 N -0.48 1.19 -0.41 1.00 1.35 -1.18 0.14 112.91 114.52 1smk h THR 143 Ca -0.02 -0.39 -0.02 0.00 -0.55 0.00 0.00 66.41 65.43 1smk h THR 143 Cb 0.42 0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 1smk h THR 143 CO 0.00 0.19 0.19 -0.07 -0.25 0.00 0.00 175.52 175.59 1smk h LEU 144 N 0.97 0.55 -1.15 3.87 3.38 -1.06 -1.23 115.31 120.64 1smk h LEU 144 Ca 0.26 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1smk h LEU 144 Cb -0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1smk h LEU 144 CO -0.05 0.53 -0.01 0.00 0.09 0.00 0.00 178.44 178.99 1smk h GLU 146 N 0.54 0.14 -0.37 0.00 5.08 -0.30 0.22 114.58 119.89 1smk h GLU 146 Ca 0.11 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1smk h GLU 146 Cb 0.37 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1smk h GLU 146 CO 0.01 0.16 0.00 0.78 -1.00 0.00 0.00 179.01 178.97 1smk h GLY 147 N 0.08 0.37 1.09 -3.84 0.00 -0.49 -0.99 103.07 99.28 1smk h GLY 147 Ca 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1smk h GLY 147 CO -0.01 -0.09 0.56 -2.22 0.00 0.00 0.00 176.54 174.79 1smk h ILE 148 N 0.10 1.24 0.00 2.60 2.04 -0.20 0.33 117.51 123.62 1smk h ILE 148 Ca 0.18 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 1smk h ILE 148 Cb 0.25 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1smk h ILE 148 CO -0.30 0.25 -0.32 0.00 0.00 0.00 0.00 178.15 177.78 1smk h ALA 149 N 1.38 1.33 0.10 1.87 0.00 0.18 -0.58 119.26 123.54 1smk h ALA 149 Ca 0.33 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 1smk h ALA 149 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1smk h ALA 149 CO -0.06 0.40 -1.59 -0.22 0.00 0.00 0.00 179.25 177.78 1smk h LYS 150 N 0.00 0.22 0.06 0.00 3.64 -0.30 -3.36 116.57 116.83 1smk h LYS 150 Ca -0.00 -0.37 -0.33 0.00 -1.27 0.00 0.00 60.65 58.67 1smk h LYS 150 Cb 0.62 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1smk h LYS 150 CO 0.04 1.18 -1.91 0.00 -2.27 0.00 0.00 179.45 176.49 1smk h PRO 153 N 3.10 0.00 -0.17 0.00 0.13 -1.56 0.12 132.00 133.63 1smk h PRO 153 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1smk h PRO 153 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1smk h PRO 153 CO 0.44 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.75 1smk n ARG 154 N -4.13 1.97 -2.31 0.86 1.74 -1.26 -4.93 116.66 108.60 1smk n ARG 154 Ca 0.18 -1.44 -0.39 0.00 -0.77 0.00 0.00 57.85 55.43 1smk n ARG 154 Cb 0.98 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.94 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 -1.80 3.31 0.39 7.54 0.00 0.43 -5.00 121.76 126.64 1smk s ALA 155 Ca 0.34 1.01 -0.25 0.00 0.00 0.00 0.00 51.96 53.07 1smk s ALA 155 Cb 0.20 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1smk s ALA 155 CO 0.29 -0.44 1.08 0.42 0.00 0.00 0.00 175.76 177.11 1smk s ILE 156 N -1.28 3.59 -0.08 0.00 1.01 -0.21 -4.89 121.20 119.34 1smk s ILE 156 Ca 0.51 1.26 0.04 0.00 0.00 0.00 0.00 60.65 62.46 1smk s ILE 156 Cb -0.33 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1smk s ILE 156 CO 0.42 0.05 -0.20 -0.69 0.00 0.00 0.00 174.94 174.53 1smk s VAL 157 N -1.58 1.70 -0.49 2.92 1.01 0.13 -1.49 120.40 122.60 1smk s VAL 157 Ca 0.57 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1smk s VAL 157 Cb -0.24 -1.48 0.13 0.00 0.00 0.00 0.00 36.38 34.78 1smk s VAL 157 CO 0.30 0.48 0.26 0.20 0.00 0.00 0.00 175.10 176.35 1smk s ASN 158 N 0.33 4.94 -0.22 3.32 0.02 0.10 -0.51 114.94 122.93 1smk s ASN 158 Ca -0.14 -2.54 -0.20 0.00 -1.02 0.00 0.00 52.86 48.96 1smk s ASN 158 Cb -0.16 -1.76 -0.03 0.00 0.02 0.00 0.00 41.25 39.33 1smk s ASN 158 CO 0.06 -0.39 0.59 -0.22 0.02 0.00 0.00 177.10 177.16 1smk s LEU 159 N 0.39 4.12 -0.02 0.60 2.96 -0.06 0.68 118.68 127.34 1smk s LEU 159 Ca 0.13 0.73 0.10 0.00 -0.22 0.00 0.00 54.13 54.87 1smk s LEU 159 Cb -0.22 -2.81 -0.15 0.00 0.50 0.00 0.00 46.19 43.51 1smk s LEU 159 CO -0.04 -0.27 0.19 -0.38 -1.32 0.00 0.00 176.35 174.53 1smk n ILE 160 N 4.82 0.09 -1.72 6.68 5.41 -0.08 -1.11 119.36 133.46 1smk n ILE 160 Ca -0.02 -0.25 -0.65 0.00 1.00 0.00 0.00 62.75 62.82 1smk n ILE 160 Cb 0.50 0.13 -0.09 0.00 -0.71 0.00 0.00 39.64 39.46 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 -1.92 1.29 -4.74 4.38 7.64 -0.66 -4.64 113.62 114.97 1smk n SER 161 Ca -0.04 1.17 -0.40 0.00 1.01 0.00 0.00 58.87 60.61 1smk n SER 161 Cb 0.34 -0.93 -0.05 0.00 -1.01 0.00 0.00 64.21 62.56 1smk n SER 161 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1smk s ASN 162 N 2.78 7.52 -0.31 6.43 3.84 -1.26 -2.66 114.94 131.27 1smk s ASN 162 Ca 1.02 1.81 -0.19 0.00 0.21 0.00 0.00 52.86 55.71 1smk s ASN 162 Cb -1.40 -2.58 -0.01 0.00 -0.55 0.00 0.00 41.25 36.71 1smk s ASN 162 CO 0.77 0.05 0.57 -2.16 -2.79 0.00 0.00 177.10 173.54 1smk s PRO 163 N -0.56 3.83 0.36 0.43 0.04 -1.26 -4.82 135.00 133.03 1smk s PRO 163 Ca 0.43 0.15 0.17 0.00 0.04 0.00 0.00 61.00 61.78 1smk s PRO 163 Cb -0.24 -3.74 1.12 0.00 0.04 0.00 0.00 34.50 31.67 1smk s PRO 163 CO 0.30 -0.56 1.69 0.28 0.04 0.00 0.00 177.00 178.74 1smk h VAL 164 N 5.55 0.35 -0.33 -0.36 2.07 -1.77 0.37 116.25 122.14 1smk h VAL 164 Ca -0.27 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.22 1smk h VAL 164 Cb 1.12 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1smk h VAL 164 CO 0.78 0.06 0.35 0.78 0.02 0.00 0.00 177.57 179.56 1smk h ASN 165 N 0.34 0.00 0.00 0.57 2.35 -1.92 -2.71 115.58 114.21 1smk h ASN 165 Ca 0.71 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.27 1smk h ASN 165 Cb 1.72 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 40.06 1smk h ASN 165 CO -0.50 0.00 -1.65 -1.20 -1.65 0.00 0.00 177.43 172.43 1smk n SER 166 N -3.75 1.79 -0.34 5.81 7.64 0.11 -3.71 113.62 121.18 1smk n SER 166 Ca 0.05 0.06 0.09 0.00 1.01 0.00 0.00 58.87 60.08 1smk n SER 166 Cb 0.51 -0.28 0.28 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.25 0.89 -0.03 0.44 1.35 -1.03 -0.77 112.91 113.50 1smk h THR 167 Ca -0.28 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1smk h THR 167 Cb 1.32 -0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1smk h THR 167 CO -0.12 0.16 0.02 0.58 -0.25 0.00 0.00 175.52 175.91 1smk h VAL 168 N 0.90 1.10 0.00 6.82 2.07 -1.73 0.15 116.25 125.55 1smk h VAL 168 Ca 0.49 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1smk h VAL 168 Cb 0.57 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1smk h VAL 168 CO -0.25 0.08 -0.09 -0.65 0.02 0.00 0.00 177.57 176.68 1smk h PRO 169 N -0.06 0.00 -0.03 1.57 0.11 -1.60 0.41 132.00 132.39 1smk h PRO 169 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1smk h PRO 169 Cb 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 1smk h PRO 169 CO -0.00 0.09 0.01 0.82 -0.21 0.00 0.00 178.00 178.70 1smk h ILE 170 N 0.00 1.21 -0.91 4.15 2.04 -0.47 -0.85 117.51 122.68 1smk h ILE 170 Ca -0.00 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.28 1smk h ILE 170 Cb 0.16 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1smk h ILE 170 CO 0.01 0.17 0.58 0.00 0.00 0.00 0.00 178.15 178.91 1smk h ALA 171 N 0.76 1.23 -0.59 1.87 0.00 0.21 0.50 119.26 123.24 1smk h ALA 171 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1smk h ALA 171 Cb 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1smk h ALA 171 CO 0.00 0.37 0.29 0.00 0.00 0.00 0.00 179.25 179.92 1smk h ALA 172 N 1.40 0.76 -0.06 0.00 0.00 -0.75 -0.52 119.26 120.10 1smk h ALA 172 Ca 0.38 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1smk h ALA 172 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1smk h ALA 172 CO -0.15 0.31 -0.35 0.93 0.00 0.00 0.00 179.25 179.99 1smk h GLU 173 N 0.81 0.13 -0.14 0.00 4.39 -0.22 -0.68 114.58 118.86 1smk h GLU 173 Ca 0.20 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.66 1smk h GLU 173 Cb 0.10 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1smk h GLU 173 CO -0.03 0.47 -0.71 0.28 -1.16 0.00 0.00 179.01 177.86 1smk h VAL 174 N 0.11 1.32 0.01 3.13 2.07 -0.38 -2.91 116.25 119.59 1smk h VAL 174 Ca 0.01 -2.00 -0.19 0.00 0.82 0.00 0.00 66.70 65.34 1smk h VAL 174 Cb 0.68 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1smk h VAL 174 CO 0.05 0.62 -0.87 -0.26 0.02 0.00 0.00 177.57 177.13 1smk h PHE 175 N 0.43 0.18 0.06 1.57 0.04 -0.85 -2.76 116.94 115.61 1smk h PHE 175 Ca -0.03 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 1smk h PHE 175 Cb 1.31 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1smk h PHE 175 CO 0.06 0.93 -0.03 0.87 -0.60 0.00 0.00 178.31 179.54 1smk h LYS 176 N 0.06 -0.07 -0.27 1.51 1.57 -1.14 0.33 116.57 118.56 1smk h LYS 176 Ca -0.03 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1smk h LYS 176 Cb 1.51 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 1smk h LYS 176 CO 0.13 0.04 0.09 -0.22 -0.57 0.00 0.00 179.45 178.92 1smk h LYS 177 N -0.17 0.38 0.00 3.15 3.64 -1.56 -0.47 116.57 121.54 1smk h LYS 177 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1smk h LYS 177 Cb 0.15 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1smk h LYS 177 CO 0.01 0.33 0.00 0.00 -2.27 0.00 0.00 179.45 177.53 1smk h ALA 178 N 1.73 1.00 -1.56 5.00 0.00 -1.13 -3.47 119.26 120.83 1smk h ALA 178 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1smk h ALA 178 Cb 0.11 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1smk h ALA 178 CO -0.01 0.00 -0.15 0.41 0.00 0.00 0.00 179.25 179.50 1smk n GLY 179 N 1.13 0.39 0.00 0.00 0.00 0.99 -4.93 105.19 102.77 1smk n GLY 179 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.52 0.00 -1.68 2.61 -2.24 -0.18 -5.03 114.28 104.24 1smk n THR 180 Ca -0.03 -0.30 -0.47 0.00 -2.27 0.00 0.00 64.05 60.99 1smk n THR 180 Cb 0.53 1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 70.08 1smk n THR 180 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1smk n TYR 181 N -0.06 2.35 -3.67 4.78 9.36 -1.10 -4.93 117.16 123.88 1smk n TYR 181 Ca 0.00 0.06 -0.29 0.00 3.32 0.00 0.00 57.90 60.99 1smk n TYR 181 Cb 0.09 -2.63 -0.15 0.00 -0.63 0.00 0.00 39.34 36.01 1smk n TYR 181 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1smk s ASP 182 N 2.79 3.70 0.53 2.98 -1.08 -1.26 -4.99 116.67 119.34 1smk s ASP 182 Ca 0.86 -1.40 0.23 0.00 -0.52 0.00 0.00 52.55 51.72 1smk s ASP 182 Cb -0.65 -0.66 1.26 0.00 -1.46 0.00 0.00 42.92 41.40 1smk s ASP 182 CO 0.45 -0.41 1.67 1.55 0.52 0.00 0.00 175.17 178.95 1smk h PRO 183 N 8.21 0.00 0.00 4.34 0.13 -1.95 0.37 132.00 143.10 1smk h PRO 183 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1smk h PRO 183 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1smk h PRO 183 CO 0.44 0.00 -0.06 1.63 -0.23 0.00 0.00 178.00 179.78 1smk n LYS 184 N -2.56 0.21 -0.01 0.86 5.02 -1.26 -3.91 118.16 116.51 1smk n LYS 184 Ca -0.02 0.16 0.07 0.00 -2.02 0.00 0.00 58.31 56.50 1smk n LYS 184 Cb 0.36 -1.73 0.06 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.08 1.03 -4.03 1.97 1.74 0.13 -0.92 116.66 114.50 1smk n ARG 185 Ca 0.06 -1.37 -0.35 0.00 -0.77 0.00 0.00 57.85 55.42 1smk n ARG 185 Cb 0.41 -1.27 -0.14 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.18 2.85 -0.06 0.55 2.96 -1.23 0.18 118.68 122.75 1smk s LEU 186 Ca 0.17 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1smk s LEU 186 Cb 0.12 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 45.12 1smk s LEU 186 CO 0.18 0.01 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.41 1smk s LEU 187 N 1.30 1.21 -0.10 -0.68 1.02 0.33 -4.52 118.68 117.25 1smk s LEU 187 Ca 0.04 -0.17 -0.23 0.00 0.02 0.00 0.00 54.13 53.79 1smk s LEU 187 Cb -0.14 -0.55 -0.03 0.00 0.02 0.00 0.00 46.19 45.48 1smk s LEU 187 CO -0.03 -0.08 0.68 -0.83 0.02 0.00 0.00 176.35 176.11 1smk s GLY 188 N 1.18 2.45 -0.61 -3.19 0.00 0.17 -0.88 107.32 106.45 1smk s GLY 188 Ca -0.06 0.02 -0.28 0.00 0.00 0.00 0.00 44.72 44.40 1smk s GLY 188 CO -0.01 1.21 1.19 0.14 0.00 0.00 0.00 173.10 175.62 1smk s VAL 189 N 1.11 4.00 -1.34 1.40 1.01 -0.26 -1.29 120.40 125.02 1smk s VAL 189 Ca 0.35 0.75 0.13 0.00 0.00 0.00 0.00 61.98 63.21 1smk s VAL 189 Cb -0.17 -4.75 0.29 0.00 0.00 0.00 0.00 36.38 31.75 1smk s VAL 189 CO 0.15 -1.42 1.19 0.35 0.00 0.00 0.00 175.10 175.38 1smk n THR 190 N 6.57 0.68 -0.29 3.92 -2.24 -1.26 -4.66 114.28 116.99 1smk n THR 190 Ca 0.07 -0.84 0.24 0.00 -2.27 0.00 0.00 64.05 61.24 1smk n THR 190 Cb 0.49 0.75 0.55 0.00 -2.10 0.00 0.00 70.33 70.02 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 2.58 0.32 0.00 -0.78 -1.53 -1.87 0.13 114.93 113.78 1smk h MET 191 Ca 0.00 -0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.22 1smk h MET 191 Cb 0.72 -0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 31.69 1smk h MET 191 CO 0.00 0.21 -0.10 1.25 0.14 0.00 0.00 176.91 178.41 1smk h LEU 192 N 0.33 0.00 -0.50 3.39 5.85 -1.87 -0.61 115.31 121.91 1smk h LEU 192 Ca 0.55 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 59.10 1smk h LEU 192 Cb 1.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1smk h LEU 192 CO -0.22 0.10 -0.62 0.44 -0.34 0.00 0.00 178.44 177.81 1smk h ASP 193 N 0.00 0.53 -0.12 1.25 3.32 -1.11 -2.16 116.42 118.13 1smk h ASP 193 Ca -0.00 -0.31 -0.22 0.00 0.02 0.00 0.00 57.03 56.53 1smk h ASP 193 Cb 0.49 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.89 1smk h ASP 193 CO 0.01 1.02 -0.75 0.58 -1.72 0.00 0.00 179.24 178.38 1smk h VAL 194 N 0.35 1.28 0.01 -1.35 2.07 -1.34 -2.23 116.25 115.04 1smk h VAL 194 Ca -0.01 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.55 1smk h VAL 194 Cb 1.16 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1smk h VAL 194 CO 0.11 0.62 -0.00 0.58 0.02 0.00 0.00 177.57 178.90 1smk h VAL 195 N 0.53 1.03 -0.18 2.57 2.07 -1.11 -0.38 116.25 120.78 1smk h VAL 195 Ca -0.04 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1smk h VAL 195 Cb 1.37 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1smk h VAL 195 CO 0.15 0.03 0.07 0.03 0.02 0.00 0.00 177.57 177.87 1smk h ARG 196 N -0.05 0.16 -0.15 1.57 3.08 -1.42 -1.75 114.38 115.82 1smk h ARG 196 Ca -0.00 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1smk h ARG 196 Cb 0.05 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1smk h ARG 196 CO 0.00 0.11 -0.17 0.00 -1.07 0.00 0.00 179.97 178.84 1smk h ALA 197 N 1.10 -0.08 -0.60 0.04 0.00 -1.21 0.34 119.26 118.84 1smk h ALA 197 Ca 0.07 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1smk h ALA 197 Cb 0.03 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1smk h ALA 197 CO -0.06 -0.61 0.24 -0.91 0.00 0.00 0.00 179.25 177.91 1smk h ASN 198 N -0.20 0.27 0.53 0.00 2.35 -0.83 0.29 115.58 117.99 1smk h ASN 198 Ca 0.10 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1smk h ASN 198 Cb 0.35 0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.76 1smk h ASN 198 CO -0.27 0.16 -0.25 0.74 -1.65 0.00 0.00 177.43 176.16 1smk h THR 199 N 0.44 0.46 -0.64 2.81 2.02 -0.40 0.15 112.91 117.74 1smk h THR 199 Ca 0.30 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1smk h THR 199 Cb 0.34 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1smk h THR 199 CO -0.28 0.03 0.39 -0.26 0.37 0.00 0.00 175.52 175.77 1smk h PHE 200 N -0.82 0.84 -0.39 3.16 0.04 -0.03 0.03 116.94 119.77 1smk h PHE 200 Ca -0.07 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 1smk h PHE 200 Cb 0.59 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1smk h PHE 200 CO -0.02 0.57 0.07 0.28 -0.60 0.00 0.00 178.31 178.61 1smk h VAL 201 N 0.87 1.24 -0.54 -0.55 2.07 -0.41 -2.11 116.25 116.82 1smk h VAL 201 Ca 0.23 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1smk h VAL 201 Cb -0.03 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1smk h VAL 201 CO -0.04 0.29 0.21 0.00 0.02 0.00 0.00 177.57 178.05 1smk h ALA 202 N 0.93 1.35 0.25 1.67 0.00 -0.31 -0.47 119.26 122.69 1smk h ALA 202 Ca 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1smk h ALA 202 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1smk h ALA 202 CO 0.01 0.48 -0.21 0.93 0.00 0.00 0.00 179.25 180.46 1smk h GLU 203 N 0.78 -0.45 -0.28 0.00 5.08 -0.66 0.60 114.58 119.64 1smk h GLU 203 Ca 0.19 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 1smk h GLU 203 Cb 0.16 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1smk h GLU 203 CO -0.02 -0.30 -0.11 0.28 -1.00 0.00 0.00 179.01 177.86 1smk h VAL 204 N -0.47 0.62 0.00 3.13 2.07 -0.86 -0.71 116.25 120.03 1smk h VAL 204 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1smk h VAL 204 Cb 0.42 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1smk h VAL 204 CO -0.02 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.75 1smk n LEU 205 N -5.29 0.00 -2.77 2.57 4.77 -0.23 -4.90 117.00 111.15 1smk n LEU 205 Ca -0.00 0.43 -0.14 0.00 -0.03 0.00 0.00 56.01 56.27 1smk n LEU 205 Cb 0.20 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1smk n LEU 205 CO 0.18 -0.12 0.12 0.61 -1.33 0.00 0.00 177.39 176.85 1smk n GLY 206 N 0.65 -0.14 3.52 -0.72 0.00 0.18 -5.02 105.19 103.64 1smk n GLY 206 Ca 0.07 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.33 2.31 -0.22 0.99 1.43 0.72 -5.02 118.68 113.56 1smk s LEU 207 Ca 0.15 -1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 51.53 1smk s LEU 207 Cb -0.06 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.68 1smk s LEU 207 CO 0.53 -0.64 0.98 -0.62 0.23 0.00 0.00 176.35 176.84 1smk s ASP 208 N -3.58 7.05 0.65 2.29 -1.08 -1.26 -4.44 116.67 116.30 1smk s ASP 208 Ca 0.32 1.31 0.24 0.00 -0.52 0.00 0.00 52.55 53.91 1smk s ASP 208 Cb 0.08 -2.52 1.27 0.00 -1.46 0.00 0.00 42.92 40.29 1smk s ASP 208 CO 0.15 -0.61 1.72 1.55 0.52 0.00 0.00 175.17 178.50 1smk h PRO 209 N 7.46 0.00 0.00 4.34 0.13 -1.90 0.20 132.00 142.23 1smk h PRO 209 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1smk h PRO 209 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1smk h PRO 209 CO 0.94 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 1smk h ARG 210 N 0.00 0.00 -0.64 0.86 3.08 -1.92 -2.68 114.38 113.08 1smk h ARG 210 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1smk h ARG 210 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 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 -2.98 4.91 -4.22 7.04 8.00 0.71 -4.93 116.55 125.08 1smk n ASP 211 Ca 0.01 -2.52 -0.29 0.00 0.71 0.00 0.00 54.79 52.71 1smk n ASP 211 Cb 0.31 -0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 40.66 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 -1.97 1.77 -0.09 2.53 1.01 -1.01 -4.18 120.40 118.46 1smk s VAL 212 Ca 0.52 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1smk s VAL 212 Cb 0.34 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1smk s VAL 212 CO 0.24 0.50 -0.11 -0.62 0.00 0.00 0.00 175.10 175.11 1smk s ASP 213 N -0.24 1.96 -0.22 3.32 2.15 -0.18 -4.83 116.67 118.63 1smk s ASP 213 Ca 0.01 -0.31 -0.00 0.00 0.43 0.00 0.00 52.55 52.68 1smk s ASP 213 Cb -0.11 -0.85 0.06 0.00 -0.30 0.00 0.00 42.92 41.71 1smk s ASP 213 CO 0.02 -0.02 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.27 1smk s VAL 214 N 1.07 1.26 0.33 1.11 1.01 -1.26 -1.78 120.40 122.13 1smk s VAL 214 Ca -0.07 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.63 1smk s VAL 214 Cb -0.15 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 1smk s VAL 214 CO -0.01 -0.10 1.18 -2.16 0.00 0.00 0.00 175.10 174.01 1smk s PRO 215 N 1.53 4.37 -0.09 2.72 0.04 -1.26 -4.81 135.00 137.49 1smk s PRO 215 Ca -0.04 1.92 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1smk s PRO 215 Cb -0.18 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.39 1smk s PRO 215 CO -0.07 -0.07 -0.12 0.08 0.04 0.00 0.00 177.00 176.86 1smk s VAL 216 N -1.25 1.21 0.49 -0.36 1.01 -1.26 -1.05 120.40 119.20 1smk s VAL 216 Ca 0.50 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1smk s VAL 216 Cb -0.33 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1smk s VAL 216 CO 0.43 0.38 0.04 0.68 0.00 0.00 0.00 175.10 176.64 1smk s VAL 217 N 1.00 0.91 0.00 2.92 -7.23 -0.06 -4.54 120.40 113.40 1smk s VAL 217 Ca -0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1smk s VAL 217 Cb -0.15 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1smk s VAL 217 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1smk n GLY 218 N -1.19 0.95 0.38 2.32 0.00 -0.39 -0.23 105.19 107.03 1smk n GLY 218 Ca -0.16 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 4.05 1.01 -0.02 0.00 0.26 -0.86 105.19 109.64 1smk n GLY 219 Ca 0.00 -2.04 0.07 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 -0.11 1.08 -3.80 1.61 -0.00 -1.26 -3.47 115.22 109.27 1smk n HIS 220 Ca -0.01 -0.92 -0.12 0.00 0.46 0.00 0.00 57.72 57.12 1smk n HIS 220 Cb 0.07 -0.35 -0.11 0.00 -0.12 0.00 0.00 29.99 29.47 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 -2.86 -0.55 0.00 1.57 0.00 -1.26 -4.92 121.76 113.74 1smk s ALA 221 Ca 0.44 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1smk s ALA 221 Cb 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1smk s ALA 221 CO 0.09 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1smk n GLY 222 N 2.68 2.06 0.00 0.00 0.00 -1.24 -0.14 105.19 108.56 1smk n GLY 222 Ca -0.14 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 0.63 0.19 1.61 0.24 -1.26 -1.76 118.33 117.98 1smk n VAL 223 Ca 0.00 0.16 0.10 0.00 -2.04 0.00 0.00 64.34 62.56 1smk n VAL 223 Cb 0.00 -1.03 0.12 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 0.15 -3.13 3.34 1.03 -0.82 -3.32 112.91 110.16 1smk h THR 224 Ca 0.00 -1.21 -0.56 0.00 -0.01 0.00 0.00 66.41 64.62 1smk h THR 224 Cb 0.06 2.00 -0.04 0.00 -1.07 0.00 0.00 68.15 69.10 1smk h THR 224 CO 0.00 0.08 0.70 -0.63 -0.01 0.00 0.00 175.52 175.66 1smk s ILE 225 N -3.18 4.54 -0.33 0.00 1.01 -0.72 0.93 121.20 123.44 1smk s ILE 225 Ca 0.05 1.84 0.01 0.00 0.00 0.00 0.00 60.65 62.56 1smk s ILE 225 Cb 0.06 -4.18 0.10 0.00 0.01 0.00 0.00 42.46 38.45 1smk s ILE 225 CO 0.70 -0.05 0.08 -0.22 0.00 0.00 0.00 174.94 175.45 1smk s LEU 226 N 2.49 3.41 -0.39 2.97 2.96 0.68 -4.84 118.68 125.97 1smk s LEU 226 Ca 0.51 -1.91 -0.29 0.00 -0.22 0.00 0.00 54.13 52.21 1smk s LEU 226 Cb -0.20 -1.22 0.02 0.00 0.50 0.00 0.00 46.19 45.29 1smk s LEU 226 CO 0.16 -0.39 1.10 -2.16 -1.32 0.00 0.00 176.35 173.74 1smk s PRO 227 N 1.24 3.92 -1.22 0.98 0.04 -1.26 -0.88 135.00 137.82 1smk s PRO 227 Ca 0.11 0.85 -0.18 0.00 0.04 0.00 0.00 61.00 61.81 1smk s PRO 227 Cb -0.18 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.53 1smk s PRO 227 CO -0.17 -1.11 1.96 1.28 0.04 0.00 0.00 177.00 179.01 1smk n LEU 228 N 7.29 5.02 0.27 -3.56 4.77 -0.21 -4.77 117.00 125.81 1smk n LEU 228 Ca 0.12 -3.64 0.18 0.00 -0.03 0.00 0.00 56.01 52.63 1smk n LEU 228 Cb 0.48 -1.59 0.93 0.00 -2.33 0.00 0.00 43.42 40.91 1smk n LEU 228 CO 0.65 -0.02 1.15 -0.07 -1.33 0.00 0.00 177.39 177.77 1smk h LEU 229 N 12.97 0.00 -0.12 2.23 3.38 -1.93 -0.29 115.31 131.56 1smk h LEU 229 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1smk h LEU 229 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1smk h LEU 229 CO 1.65 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.64 1smk n SER 230 N -3.54 0.33 -0.90 -0.43 3.41 -1.26 -2.65 113.62 108.58 1smk n SER 230 Ca -0.01 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 1smk n SER 230 Cb 0.23 -0.63 0.19 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.83 2.46 -1.69 4.33 6.02 -0.12 -4.98 117.38 121.57 1smk n GLN 231 Ca 0.05 -2.14 -0.40 0.00 -0.01 0.00 0.00 57.00 54.50 1smk n GLN 231 Cb 0.31 -1.39 0.03 0.00 1.02 0.00 0.00 30.24 30.21 1smk n GLN 231 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1smk n VAL 232 N 1.03 3.04 -4.95 5.09 0.31 -1.08 -4.76 118.33 117.00 1smk n VAL 232 Ca 0.16 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.70 1smk n VAL 232 Cb 0.50 -1.48 -0.17 0.00 -0.91 0.00 0.00 33.84 31.78 1smk n VAL 232 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1smk s LYS 233 N -2.44 2.28 0.82 5.55 1.02 -0.73 -3.57 119.74 122.66 1smk s LYS 233 Ca 0.66 -0.68 -0.11 0.00 0.02 0.00 0.00 55.97 55.86 1smk s LYS 233 Cb -0.48 -1.84 0.08 0.00 -0.52 0.00 0.00 37.83 35.08 1smk s LYS 233 CO 0.54 0.18 1.10 -1.25 -0.92 0.00 0.00 175.35 175.00 1smk s PRO 234 N 0.29 1.88 0.12 -1.68 0.04 -1.26 -1.02 135.00 133.37 1smk s PRO 234 Ca -0.12 1.16 -0.33 0.00 0.04 0.00 0.00 61.00 61.75 1smk s PRO 234 Cb -0.15 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 1smk s PRO 234 CO 0.05 -1.91 1.67 -0.35 0.04 0.00 0.00 177.00 176.50 1smk n PRO 235 N -3.70 2.29 -4.17 0.56 -0.04 -1.23 -4.94 135.00 123.76 1smk n PRO 235 Ca 0.09 0.83 -0.11 0.00 -0.04 0.00 0.00 63.50 64.27 1smk n PRO 235 Cb 0.53 -2.63 -0.10 0.00 -0.04 0.00 0.00 33.50 31.26 1smk n PRO 235 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1smk s SER 236 N 1.63 0.19 0.02 3.54 0.01 -1.26 -5.13 113.70 112.71 1smk s SER 236 Ca 0.81 -1.30 0.06 0.00 1.31 0.00 0.00 55.95 56.84 1smk s SER 236 Cb -0.64 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 1smk s SER 236 CO 0.39 -0.82 -0.19 -0.94 0.41 0.00 0.00 173.24 172.10 1smk s SER 237 N -3.11 2.26 0.14 2.44 1.04 -1.26 -4.99 113.70 110.21 1smk s SER 237 Ca 0.33 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.40 1smk s SER 237 Cb 0.07 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 1smk s SER 237 CO 0.08 0.18 -0.18 -0.36 0.98 0.00 0.00 173.24 173.94 1smk s PHE 238 N -0.65 1.72 0.44 5.02 0.08 -1.26 -5.10 117.98 118.23 1smk s PHE 238 Ca 0.07 -0.47 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 1smk s PHE 238 Cb -0.08 -0.89 -0.07 0.00 -0.57 0.00 0.00 43.02 41.42 1smk s PHE 238 CO 0.01 0.26 0.83 0.95 -0.10 0.00 0.00 175.22 177.17 1smk s THR 239 N -1.85 4.73 0.42 0.64 -4.23 -1.26 -4.86 115.64 109.23 1smk s THR 239 Ca 0.12 0.75 0.16 0.00 -1.18 0.00 0.00 61.69 61.54 1smk s THR 239 Cb -0.07 -3.74 0.37 0.00 1.34 0.00 0.00 72.50 70.40 1smk s THR 239 CO 0.05 -0.60 1.87 1.56 -0.54 0.00 0.00 174.62 176.97 1smk h GLN 240 N 1.07 0.42 0.06 3.99 1.08 -2.00 0.45 115.11 120.17 1smk h GLN 240 Ca -0.47 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1smk h GLN 240 Cb 1.19 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1smk h GLN 240 CO 0.63 0.28 -0.03 0.93 -0.95 0.00 0.00 178.83 179.69 1smk h GLU 241 N 0.43 -0.07 -0.63 1.46 5.08 -1.99 -0.75 114.58 118.10 1smk h GLU 241 Ca 0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1smk h GLU 241 Cb 1.04 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1smk h GLU 241 CO -0.16 0.13 0.38 0.93 -1.00 0.00 0.00 179.01 179.30 1smk h GLU 242 N -0.27 0.86 -0.85 2.33 5.08 -1.49 0.41 114.58 120.64 1smk h GLU 242 Ca -0.01 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1smk h GLU 242 Cb 0.24 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 1smk h GLU 242 CO 0.01 0.61 0.53 0.82 -1.00 0.00 0.00 179.01 179.98 1smk h ILE 243 N 0.86 1.06 0.18 3.13 2.04 -0.86 0.45 117.51 124.36 1smk h ILE 243 Ca 0.23 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1smk h ILE 243 Cb -0.03 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.05 1smk h ILE 243 CO -0.04 0.18 -0.09 -1.28 0.00 0.00 0.00 178.15 176.92 1smk h SER 244 N 0.98 -0.21 0.20 1.72 0.87 -0.19 -1.54 113.55 115.38 1smk h SER 244 Ca 0.36 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1smk h SER 244 Cb 0.13 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1smk h SER 244 CO -0.16 0.12 -0.20 0.22 -0.53 0.00 0.00 176.83 176.28 1smk h TYR 245 N -0.55 -0.53 -0.23 2.24 3.20 0.24 -1.31 116.97 120.02 1smk h TYR 245 Ca -0.03 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1smk h TYR 245 Cb 0.42 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1smk h TYR 245 CO 0.02 -0.30 0.00 -0.07 -1.64 0.00 0.00 178.16 176.18 1smk h LEU 246 N -0.43 -0.08 -0.48 2.82 3.38 -0.17 0.25 115.31 120.60 1smk h LEU 246 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1smk h LEU 246 Cb 0.41 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1smk h LEU 246 CO -0.05 -0.01 0.30 0.74 0.09 0.00 0.00 178.44 179.51 1smk h THR 247 N 0.08 1.14 -0.02 0.22 2.02 -1.23 -0.76 112.91 114.36 1smk h THR 247 Ca 0.11 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1smk h THR 247 Cb 0.14 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1smk h THR 247 CO -0.18 0.14 0.01 -0.78 0.37 0.00 0.00 175.52 175.08 1smk h ASP 248 N 0.64 0.04 -0.65 4.18 3.58 -0.87 -2.15 116.42 121.19 1smk h ASP 248 Ca 0.17 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 1smk h ASP 248 Cb -0.03 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1smk h ASP 248 CO -0.03 0.25 0.24 -0.09 -2.88 0.00 0.00 179.24 176.72 1smk h ARG 249 N -0.17 1.01 -0.51 0.28 2.43 -0.36 -1.63 114.38 115.43 1smk h ARG 249 Ca 0.01 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 1smk h ARG 249 Cb 0.22 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1smk h ARG 249 CO -0.00 0.85 -0.10 0.82 -1.51 0.00 0.00 179.97 180.02 1smk h ILE 250 N 0.98 1.26 0.00 1.20 2.04 -1.12 -0.26 117.51 121.62 1smk h ILE 250 Ca 0.22 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 1smk h ILE 250 Cb 0.24 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1smk h ILE 250 CO -0.01 0.43 -0.17 1.56 0.00 0.00 0.00 178.15 179.95 1smk h GLN 251 N 0.84 0.00 -0.13 2.37 4.20 -1.01 -3.10 115.11 118.28 1smk h GLN 251 Ca 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1smk h GLN 251 Cb 0.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1smk h GLN 251 CO 0.04 0.17 -0.02 0.09 -0.67 0.00 0.00 178.83 178.45 1smk n ASN 252 N -3.32 2.99 -0.11 1.46 3.02 -0.65 -3.74 115.26 114.92 1smk n ASN 252 Ca 0.00 -3.12 -0.06 0.00 -0.03 0.00 0.00 54.58 51.38 1smk n ASN 252 Cb 0.41 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.85 0.09 0.46 7.41 0.00 -0.97 -1.80 103.07 109.10 1smk h GLY 253 Ca 0.01 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.63 1smk h GLY 253 CO 0.11 -0.19 -0.08 -1.33 0.00 0.00 0.00 176.54 175.06 1smk h GLY 254 N -0.12 0.17 0.40 4.60 0.00 -1.86 -1.89 103.07 104.36 1smk h GLY 254 Ca 0.19 0.10 0.11 0.00 0.00 0.00 0.00 47.33 47.72 1smk h GLY 254 CO -0.46 -0.11 0.36 -0.84 0.00 0.00 0.00 176.54 175.50 1smk h THR 255 N -0.02 0.81 -0.97 4.70 2.02 -1.81 -0.58 112.91 117.06 1smk h THR 255 Ca 0.13 -0.20 0.21 0.00 0.77 0.00 0.00 66.41 67.32 1smk h THR 255 Cb 0.21 0.17 -0.11 0.00 -1.74 0.00 0.00 68.15 66.67 1smk h THR 255 CO -0.28 0.11 0.56 -0.08 0.37 0.00 0.00 175.52 176.20 1smk h GLU 256 N 0.59 0.62 0.00 6.66 4.81 -0.50 -0.26 114.58 126.49 1smk h GLU 256 Ca 0.37 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.44 1smk h GLU 256 Cb 0.44 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.69 1smk h GLU 256 CO -0.30 0.41 -0.50 0.28 -0.73 0.00 0.00 179.01 178.17 1smk h VAL 257 N 0.64 1.47 -0.48 0.32 2.07 -0.98 -2.78 116.25 116.50 1smk h VAL 257 Ca 0.59 -2.06 0.06 0.00 0.82 0.00 0.00 66.70 66.12 1smk h VAL 257 Cb 1.02 2.67 -0.05 0.00 -1.52 0.00 0.00 31.29 33.40 1smk h VAL 257 CO -0.43 0.59 0.17 0.58 0.02 0.00 0.00 177.57 178.49 1smk h VAL 258 N -0.24 0.84 -0.33 2.57 2.07 -0.74 0.15 116.25 120.56 1smk h VAL 258 Ca -0.06 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1smk h VAL 258 Cb 1.23 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1smk h VAL 258 CO 0.10 0.06 0.05 -0.33 0.02 0.00 0.00 177.57 177.47 1smk h GLU 259 N 0.34 0.15 -0.81 1.57 5.08 -1.12 -1.96 114.58 117.83 1smk h GLU 259 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1smk h GLU 259 Cb 0.24 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1smk h GLU 259 CO -0.24 0.10 0.51 0.00 -1.00 0.00 0.00 179.01 178.38 1smk h ALA 260 N 1.26 1.38 -0.08 3.43 0.00 -1.00 -2.00 119.26 122.25 1smk h ALA 260 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1smk h ALA 260 Cb 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1smk h ALA 260 CO -0.23 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.21 1smk n LYS 261 N -4.39 1.45 -3.49 0.00 5.02 0.42 -4.89 118.16 112.28 1smk n LYS 261 Ca 0.09 -0.40 -0.20 0.00 -2.02 0.00 0.00 58.31 55.78 1smk n LYS 261 Cb 0.05 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 0.02 -2.59 0.00 7.82 0.00 -0.75 -2.93 120.51 122.08 1smk n ALA 262 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1smk n ALA 262 Cb 0.31 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.89 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 -1.66 0.00 2.48 0.00 0.00 -0.82 -4.70 105.19 100.50 1smk n GLY 263 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 0.39 6.70 0.00 4.61 0.00 -1.15 -3.83 120.51 127.23 1smk n ALA 264 Ca 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.64 1smk n ALA 264 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 16.87 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 1.45 3.74 3.31 0.00 0.00 -1.26 -5.01 105.19 107.41 1smk n GLY 265 Ca 0.58 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 1.09 -0.20 1.61 1.04 -1.26 -4.19 113.70 111.80 1smk s SER 266 Ca 0.00 -1.59 -0.39 0.00 0.48 0.00 0.00 55.95 54.45 1smk s SER 266 Cb 0.00 0.53 -0.16 0.00 0.10 0.00 0.00 66.02 66.49 1smk s SER 266 CO 0.00 -1.05 1.68 0.00 0.98 0.00 0.00 173.24 174.85 1smk n ALA 267 N -0.51 -0.25 0.03 5.32 0.00 -1.26 -4.83 120.51 119.00 1smk n ALA 267 Ca 0.05 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.88 1smk n ALA 267 Cb 0.63 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 4.23 1.00 0.39 0.00 -2.24 -1.26 -4.62 114.28 111.78 1smk n THR 268 Ca 0.25 0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 62.15 1smk n THR 268 Cb 0.15 -1.61 -0.09 0.00 -2.10 0.00 0.00 70.33 66.68 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 -0.06 -0.99 -2.10 3.22 3.38 -1.88 0.16 115.31 117.05 1smk h LEU 269 Ca -0.01 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1smk h LEU 269 Cb 0.27 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1smk h LEU 269 CO -0.01 -0.64 0.11 0.77 0.09 0.00 0.00 178.44 178.76 1smk h SER 270 N -1.03 0.00 -0.14 -0.43 4.64 -1.98 0.15 113.55 114.77 1smk h SER 270 Ca -0.09 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.04 1smk h SER 270 Cb 0.82 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1smk h SER 270 CO 0.11 0.00 -0.64 -0.03 -0.87 0.00 0.00 176.83 175.41 1smk h MET 271 N 0.00 0.68 -0.71 4.77 1.85 -1.71 -0.29 114.93 119.52 1smk h MET 271 Ca 0.06 -0.54 -0.05 0.00 -0.61 0.00 0.00 59.70 58.56 1smk h MET 271 Cb 0.27 0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.38 1smk h MET 271 CO -0.00 1.16 0.26 0.00 -0.40 0.00 0.00 176.91 177.93 1smk h ALA 272 N 0.52 0.93 0.25 0.39 0.00 0.10 0.30 119.26 121.76 1smk h ALA 272 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1smk h ALA 272 Cb 1.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1smk h ALA 272 CO 0.13 0.57 -0.12 -0.92 0.00 0.00 0.00 179.25 178.91 1smk h TYR 273 N 1.03 -0.32 -0.55 0.00 3.20 -0.70 -0.03 116.97 119.60 1smk h TYR 273 Ca 0.23 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 1smk h TYR 273 Cb 0.25 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1smk h TYR 273 CO 0.02 -0.17 0.12 0.00 -1.64 0.00 0.00 178.16 176.49 1smk h ALA 274 N 0.37 1.19 -0.39 1.82 0.00 -0.75 -1.52 119.26 119.98 1smk h ALA 274 Ca -0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1smk h ALA 274 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1smk h ALA 274 CO 0.06 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 1smk h ALA 275 N 1.32 1.04 -0.28 0.00 0.00 -0.17 -0.81 119.26 120.36 1smk h ALA 275 Ca 0.18 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1smk h ALA 275 Cb 0.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1smk h ALA 275 CO 0.00 0.58 -0.53 0.28 0.00 0.00 0.00 179.25 179.58 1smk h VAL 276 N 0.63 1.28 -0.69 0.00 2.07 -0.65 0.20 116.25 119.09 1smk h VAL 276 Ca 0.11 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.85 1smk h VAL 276 Cb 0.59 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1smk h VAL 276 CO 0.04 0.56 0.23 0.11 0.02 0.00 0.00 177.57 178.53 1smk h LYS 277 N 0.63 1.05 -0.21 1.57 1.57 -1.02 0.23 116.57 120.39 1smk h LYS 277 Ca 0.02 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1smk h LYS 277 Cb 1.13 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 1smk h LYS 277 CO 0.12 0.89 -0.25 0.35 -0.57 0.00 0.00 179.45 179.98 1smk h PHE 278 N 1.02 0.66 -0.73 -1.35 3.57 -0.93 -2.26 116.94 116.92 1smk h PHE 278 Ca 0.23 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1smk h PHE 278 Cb 0.26 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1smk h PHE 278 CO 0.02 0.91 0.45 0.00 -2.23 0.00 0.00 178.31 177.46 1smk h ALA 279 N 0.64 0.93 -0.68 2.41 0.00 -0.29 -2.01 119.26 120.26 1smk h ALA 279 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1smk h ALA 279 Cb 0.82 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1smk h ALA 279 CO 0.06 0.39 0.31 0.22 0.00 0.00 0.00 179.25 180.24 1smk h ASP 280 N 1.00 0.88 -0.46 0.00 3.58 -0.50 -1.28 116.42 119.63 1smk h ASP 280 Ca 0.26 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1smk h ASP 280 Cb -0.05 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 1smk h ASP 280 CO -0.05 0.75 0.30 0.00 -2.88 0.00 0.00 179.24 177.36 1smk h ALA 281 N 1.38 0.59 -0.57 -0.78 0.00 -0.76 0.04 119.26 119.17 1smk h ALA 281 Ca 0.23 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1smk h ALA 281 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1smk h ALA 281 CO -0.03 0.05 0.36 0.00 0.00 0.00 0.00 179.25 179.63 1smk h LEU 283 N 0.72 0.73 -1.67 0.00 3.38 -0.71 0.46 115.31 118.22 1smk h LEU 283 Ca 0.22 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1smk h LEU 283 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1smk h LEU 283 CO -0.08 0.60 -0.17 0.03 0.09 0.00 0.00 178.44 178.92 1smk h ARG 284 N 0.80 0.00 -0.07 1.13 3.08 -0.49 0.96 114.38 119.78 1smk h ARG 284 Ca 0.21 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1smk h ARG 284 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1smk h ARG 284 CO -0.04 0.17 -0.04 0.78 -1.07 0.00 0.00 179.97 179.78 1smk h GLY 285 N 0.50 0.16 1.97 0.04 0.00 0.11 -1.78 103.07 104.07 1smk h GLY 285 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1smk h GLY 285 CO 0.02 0.13 0.01 1.41 0.00 0.00 0.00 176.54 178.12 1smk h LEU 286 N -0.23 0.00 -1.07 3.11 3.38 0.85 -0.86 115.31 120.49 1smk h LEU 286 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1smk h LEU 286 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1smk h LEU 286 CO 0.01 0.00 -0.33 -0.09 0.09 0.00 0.00 178.44 178.13 1smk h ARG 287 N 0.00 0.00 0.00 1.13 2.43 -0.59 -3.43 114.38 113.92 1smk h ARG 287 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1smk h ARG 287 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1smk h ARG 287 CO -0.00 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.19 1smk n GLY 288 N 0.09 1.04 3.69 2.80 0.00 -0.36 -5.05 105.19 107.41 1smk n GLY 288 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 1.63 -4.93 1.61 9.92 -0.69 -4.98 116.55 119.10 1smk n ASP 289 Ca 0.00 0.81 -0.27 0.00 -0.53 0.00 0.00 54.79 54.80 1smk n ASP 289 Cb 0.00 -1.51 -0.03 0.00 -0.64 0.00 0.00 41.12 38.94 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 -1.45 3.89 -1.22 2.24 0.00 -1.26 -4.55 121.76 119.40 1smk s ALA 290 Ca 0.81 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1smk s ALA 290 Cb -0.39 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1smk s ALA 290 CO 0.42 0.49 0.07 0.41 0.00 0.00 0.00 175.76 177.16 1smk n GLY 291 N -0.58 -0.22 3.42 0.00 0.00 -1.26 -4.96 105.19 101.59 1smk n GLY 291 Ca -0.06 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.77 4.57 -0.12 1.61 1.01 -1.26 -5.00 120.40 118.45 1smk s VAL 292 Ca 0.04 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1smk s VAL 292 Cb -0.02 -4.62 -0.00 0.00 0.00 0.00 0.00 36.38 31.75 1smk s VAL 292 CO 0.04 -1.33 -0.21 -0.63 0.00 0.00 0.00 175.10 172.98 1smk s ILE 293 N 3.34 2.33 0.06 2.22 1.01 -1.26 0.68 121.20 129.58 1smk s ILE 293 Ca 0.19 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 1smk s ILE 293 Cb -0.18 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1smk s ILE 293 CO 0.06 0.55 0.25 -1.61 0.00 0.00 0.00 174.94 174.19 1smk s GLU 294 N 0.44 0.80 0.20 2.79 0.41 -0.73 -4.92 118.70 117.69 1smk s GLU 294 Ca -0.15 -0.68 -0.20 0.00 -0.41 0.00 0.00 54.97 53.53 1smk s GLU 294 Cb -0.17 0.34 -0.08 0.00 -1.78 0.00 0.00 34.13 32.44 1smk s GLU 294 CO 0.06 -0.25 0.72 0.00 -0.49 0.00 0.00 175.26 175.29 1smk s ALA 296 N -1.44 -1.84 -0.53 0.00 0.00 -1.01 -4.42 121.76 112.52 1smk s ALA 296 Ca 0.41 1.46 -0.26 0.00 0.00 0.00 0.00 51.96 53.56 1smk s ALA 296 Cb -0.18 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1smk s ALA 296 CO 0.22 -0.34 1.05 0.12 0.00 0.00 0.00 175.76 176.80 1smk s PHE 297 N -1.10 2.76 0.33 0.00 5.36 -0.41 -2.84 117.98 122.08 1smk s PHE 297 Ca -0.07 0.30 0.04 0.00 -0.96 0.00 0.00 56.93 56.25 1smk s PHE 297 Cb -0.00 -4.25 -0.01 0.00 -0.34 0.00 0.00 43.02 38.41 1smk s PHE 297 CO 0.06 -1.37 0.14 1.33 -1.46 0.00 0.00 175.22 173.92 1smk n VAL 298 N 6.49 0.00 -2.68 3.12 0.24 -0.82 0.45 118.33 125.13 1smk n VAL 298 Ca 0.06 -1.98 -0.42 0.00 -2.04 0.00 0.00 64.34 59.96 1smk n VAL 298 Cb 0.48 0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 33.59 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 -3.04 7.28 0.25 -1.34 0.15 -1.26 -1.08 113.70 114.65 1smk s SER 299 Ca 0.20 1.60 -0.19 0.00 0.70 0.00 0.00 55.95 58.26 1smk s SER 299 Cb 0.01 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.78 1smk s SER 299 CO 0.14 -0.39 0.64 -0.94 1.20 0.00 0.00 173.24 173.89 1smk s SER 300 N 1.08 -0.27 -0.25 5.45 1.04 -0.76 -4.89 113.70 115.09 1smk s SER 300 Ca 0.50 -0.58 0.11 0.00 0.48 0.00 0.00 55.95 56.47 1smk s SER 300 Cb -0.20 0.67 0.46 0.00 0.10 0.00 0.00 66.02 67.05 1smk s SER 300 CO 0.22 -1.23 1.18 0.00 0.98 0.00 0.00 173.24 174.39 1smk n GLN 301 N -0.42 2.74 0.13 4.02 3.00 -1.26 -4.30 117.38 121.28 1smk n GLN 301 Ca -0.06 -3.79 0.01 0.00 -0.01 0.00 0.00 57.00 53.15 1smk n GLN 301 Cb 0.61 -1.93 0.07 0.00 0.00 0.00 0.00 30.24 28.99 1smk n GLN 301 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1smk h VAL 302 N 2.79 1.10 -4.68 5.09 2.07 -1.94 -3.46 116.25 117.22 1smk h VAL 302 Ca 0.18 -2.35 -0.46 0.00 0.82 0.00 0.00 66.70 64.89 1smk h VAL 302 Cb 1.41 2.40 -0.12 0.00 -1.52 0.00 0.00 31.29 33.47 1smk h VAL 302 CO 0.49 0.59 -0.43 0.35 0.02 0.00 0.00 177.57 178.58 1smk n THR 303 N -3.35 0.00 0.21 2.57 -2.24 -1.26 -4.89 114.28 105.31 1smk n THR 303 Ca 0.01 -2.25 0.05 0.00 -2.27 0.00 0.00 64.05 59.60 1smk n THR 303 Cb 0.73 1.04 0.46 0.00 -2.10 0.00 0.00 70.33 70.46 1smk n THR 303 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1smk h GLU 304 N 0.00 0.00 -7.08 -0.78 9.09 -1.92 -3.44 114.58 110.44 1smk h GLU 304 Ca -0.24 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.65 1smk h GLU 304 Cb 1.12 0.00 0.10 0.00 -1.65 0.00 0.00 28.75 28.31 1smk h GLU 304 CO 0.36 0.27 0.47 -0.51 0.05 0.00 0.00 179.01 179.64 1smk s LEU 305 N -8.13 3.73 0.50 3.06 1.02 -1.26 -4.93 118.68 112.67 1smk s LEU 305 Ca -0.03 2.33 0.29 0.00 0.02 0.00 0.00 54.13 56.74 1smk s LEU 305 Cb 0.14 -4.55 1.14 0.00 0.02 0.00 0.00 46.19 42.94 1smk s LEU 305 CO 0.69 -1.42 1.91 1.55 0.02 0.00 0.00 176.35 179.10 1smk h PRO 306 N 1.10 0.00 -4.63 1.29 0.13 -1.86 -3.42 132.00 124.61 1smk h PRO 306 Ca -0.50 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.28 1smk h PRO 306 Cb 1.28 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.15 1smk h PRO 306 CO 0.56 0.09 -0.76 -0.06 -0.23 0.00 0.00 178.00 177.60 1smk s PHE 307 N -3.65 0.72 -0.09 1.56 0.08 -1.26 -1.83 117.98 113.51 1smk s PHE 307 Ca 0.01 -0.24 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 1smk s PHE 307 Cb 0.09 -0.45 0.10 0.00 -0.57 0.00 0.00 43.02 42.20 1smk s PHE 307 CO 0.59 -0.02 0.84 0.12 -0.10 0.00 0.00 175.22 176.65 1smk s PHE 308 N -0.55 -0.49 -0.19 0.36 5.36 -0.24 -4.88 117.98 117.34 1smk s PHE 308 Ca -0.01 0.80 -0.12 0.00 -0.96 0.00 0.00 56.93 56.64 1smk s PHE 308 Cb -0.05 0.44 -0.05 0.00 -0.34 0.00 0.00 43.02 43.02 1smk s PHE 308 CO 0.00 -0.48 0.24 0.00 -1.46 0.00 0.00 175.22 173.51 1smk s ALA 309 N -1.37 3.62 0.36 11.12 0.00 -0.04 -1.95 121.76 133.51 1smk s ALA 309 Ca -0.05 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1smk s ALA 309 Cb -0.00 -2.35 0.05 0.00 0.00 0.00 0.00 23.12 20.82 1smk s ALA 309 CO 0.04 0.01 0.77 -1.54 0.00 0.00 0.00 175.76 175.04 1smk s SER 310 N 0.61 -0.05 0.47 0.00 1.04 -1.13 -1.26 113.70 113.38 1smk s SER 310 Ca 0.13 -1.03 -0.23 0.00 0.48 0.00 0.00 55.95 55.30 1smk s SER 310 Cb -0.13 0.82 -0.07 0.00 0.10 0.00 0.00 66.02 66.75 1smk s SER 310 CO 0.03 -1.61 1.19 -0.54 0.98 0.00 0.00 173.24 173.29 1smk s LYS 311 N -2.68 3.69 0.04 4.02 -0.14 -1.26 -2.39 119.74 121.03 1smk s LYS 311 Ca 0.15 1.85 -0.02 0.00 -1.36 0.00 0.00 55.97 56.58 1smk s LYS 311 Cb -0.05 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.66 1smk s LYS 311 CO 0.10 -0.63 0.01 0.14 -0.76 0.00 0.00 175.35 174.22 1smk s VAL 312 N -1.50 0.17 -0.16 3.17 -7.23 -0.19 -1.02 120.40 113.63 1smk s VAL 312 Ca 0.64 -1.40 -0.05 0.00 -1.81 0.00 0.00 61.98 59.37 1smk s VAL 312 Cb -0.30 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 1smk s VAL 312 CO 0.37 -0.77 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.77 1smk s ARG 313 N -3.05 3.74 -0.22 4.82 3.52 -0.03 -1.77 118.95 125.95 1smk s ARG 313 Ca -0.01 -0.48 -0.14 0.00 -0.13 0.00 0.00 55.73 54.97 1smk s ARG 313 Cb 0.02 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1smk s ARG 313 CO -0.07 0.24 0.31 -0.51 -0.81 0.00 0.00 175.30 174.46 1smk s LEU 314 N 0.38 4.13 0.00 -0.88 1.43 0.21 0.83 118.68 124.79 1smk s LEU 314 Ca -0.02 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1smk s LEU 314 Cb -0.14 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1smk s LEU 314 CO 0.02 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1smk n GLY 315 N 4.13 4.49 0.36 -3.19 0.00 0.39 -4.46 105.19 106.90 1smk n GLY 315 Ca -0.11 -1.99 0.18 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.19 1.61 3.08 -1.74 -1.15 114.38 116.00 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 0.00 -0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1smk n ASN 317 N -3.50 3.46 0.00 7.04 3.02 -1.26 -4.74 115.26 119.28 1smk n ASN 317 Ca 0.03 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1smk n ASN 317 Cb 0.46 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.77 0.81 3.61 7.41 0.00 -0.44 -4.52 105.19 111.30 1smk n GLY 318 Ca 0.20 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 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 4.11 -2.46 -0.61 1.01 -0.09 0.15 121.20 123.30 1smk s ILE 319 Ca 0.00 1.20 0.27 0.00 0.00 0.00 0.00 60.65 62.12 1smk s ILE 319 Cb 0.00 -4.30 0.44 0.00 0.01 0.00 0.00 42.46 38.61 1smk s ILE 319 CO 0.00 -0.69 1.63 -0.62 0.00 0.00 0.00 174.94 175.25 1smk n GLU 320 N 7.65 1.64 0.00 2.79 -0.58 0.24 -4.84 120.64 127.55 1smk n GLU 320 Ca 0.14 -1.05 0.00 0.00 -0.42 0.00 0.00 57.16 55.83 1smk n GLU 320 Cb 0.48 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1smk n GLU 320 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1smk n GLU 321 N 0.24 0.00 -3.77 3.49 2.13 -1.21 -4.92 120.64 116.61 1smk n GLU 321 Ca 0.17 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.62 1smk n GLU 321 Cb 0.39 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.98 1smk n GLU 321 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1smk s VAL 322 N -0.76 4.02 0.29 6.31 1.01 -1.26 -0.85 120.40 129.16 1smk s VAL 322 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1smk s VAL 322 Cb 0.00 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 1smk s VAL 322 CO 0.00 0.16 0.81 -0.31 0.00 0.00 0.00 175.10 175.76 1smk s TYR 323 N 1.53 3.58 0.91 5.22 2.02 -0.19 -5.01 117.35 125.40 1smk s TYR 323 Ca 0.04 1.48 -0.12 0.00 -0.37 0.00 0.00 57.07 58.09 1smk s TYR 323 Cb -0.16 -2.70 0.14 0.00 -0.40 0.00 0.00 41.96 38.83 1smk s TYR 323 CO 0.02 0.22 1.14 -1.54 -1.57 0.00 0.00 175.55 173.82 1smk s SER 324 N -1.81 3.54 0.48 2.29 1.04 -1.26 -4.26 113.70 113.72 1smk s SER 324 Ca 0.49 0.93 0.23 0.00 0.48 0.00 0.00 55.95 58.07 1smk s SER 324 Cb -0.15 -1.47 1.23 0.00 0.10 0.00 0.00 66.02 65.72 1smk s SER 324 CO 0.20 -2.53 2.01 -0.07 0.98 0.00 0.00 173.24 173.83 1smk h LEU 325 N -1.48 0.00 0.00 2.42 3.38 -1.97 -3.45 115.31 114.21 1smk h LEU 325 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1smk h LEU 325 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1smk h LEU 325 CO 0.61 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1smk n GLY 326 N -0.66 -0.89 3.73 0.83 0.00 -1.26 -4.86 105.19 102.08 1smk n GLY 326 Ca -0.02 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 4.47 -0.03 1.61 0.04 -1.26 -5.04 135.00 134.79 1smk s PRO 327 Ca 0.00 1.89 0.02 0.00 0.04 0.00 0.00 61.00 62.95 1smk s PRO 327 Cb 0.00 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1smk s PRO 327 CO 0.00 -0.14 -0.06 -0.51 0.04 0.00 0.00 177.00 176.33 1smk s LEU 328 N -0.06 1.65 0.99 -3.56 1.43 -1.26 -4.82 118.68 113.05 1smk s LEU 328 Ca 0.54 -0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.34 1smk s LEU 328 Cb -0.33 -0.43 0.21 0.00 0.03 0.00 0.00 46.19 45.67 1smk s LEU 328 CO 0.36 0.02 1.31 0.54 0.23 0.00 0.00 176.35 178.80 1smk s ASN 329 N 0.41 2.83 0.22 2.29 2.20 -1.26 -4.77 114.94 116.86 1smk s ASN 329 Ca -0.05 0.29 -0.09 0.00 -0.94 0.00 0.00 52.86 52.07 1smk s ASN 329 Cb -0.09 -0.34 0.19 0.00 -2.00 0.00 0.00 41.25 39.00 1smk s ASN 329 CO 0.00 -2.91 1.87 -0.08 -2.94 0.00 0.00 177.10 173.04 1smk h GLU 330 N -1.76 1.12 -0.38 3.55 4.81 -2.01 -0.62 114.58 119.30 1smk h GLU 330 Ca -0.44 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 58.74 1smk h GLU 330 Cb 1.24 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 1smk h GLU 330 CO 0.37 0.78 0.10 -0.92 -0.73 0.00 0.00 179.01 178.60 1smk h TYR 331 N 1.14 0.16 -0.12 0.92 3.20 -1.99 0.25 116.97 120.54 1smk h TYR 331 Ca 0.30 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.07 1smk h TYR 331 Cb -0.07 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1smk h TYR 331 CO -0.01 0.04 -0.48 0.93 -1.64 0.00 0.00 178.16 177.01 1smk h GLU 332 N 0.23 0.31 -0.33 1.82 5.08 -1.84 -0.30 114.58 119.55 1smk h GLU 332 Ca 0.18 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1smk h GLU 332 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1smk h GLU 332 CO -0.21 0.73 -0.22 0.00 -1.00 0.00 0.00 179.01 178.30 1smk h ARG 333 N 0.25 0.64 -0.29 2.33 3.08 -0.50 1.08 114.38 120.97 1smk h ARG 333 Ca 0.01 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 1smk h ARG 333 Cb 0.94 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1smk h ARG 333 CO 0.08 0.81 -0.03 0.82 -1.07 0.00 0.00 179.97 180.58 1smk h ILE 334 N 0.57 1.27 -0.37 2.04 2.04 -0.74 -2.19 117.51 120.13 1smk h ILE 334 Ca 0.08 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1smk h ILE 334 Cb 0.68 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1smk h ILE 334 CO 0.05 0.32 0.17 1.23 0.00 0.00 0.00 178.15 179.93 1smk h GLY 335 N 0.30 0.54 1.00 5.37 0.00 -0.30 -2.02 103.07 107.96 1smk h GLY 335 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1smk h GLY 335 CO 0.02 0.23 0.35 -2.00 0.00 0.00 0.00 176.54 175.14 1smk h LEU 336 N 0.51 0.77 -0.39 3.11 5.85 0.17 -1.27 115.31 124.06 1smk h LEU 336 Ca 0.13 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1smk h LEU 336 Cb 0.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1smk h LEU 336 CO -0.02 0.63 0.18 -0.33 -0.34 0.00 0.00 178.44 178.56 1smk h GLU 337 N 0.85 0.57 -0.39 1.25 4.39 -0.78 -0.80 114.58 119.67 1smk h GLU 337 Ca 0.22 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1smk h GLU 337 Cb 0.02 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1smk h GLU 337 CO -0.04 0.51 0.19 0.87 -1.16 0.00 0.00 179.01 179.38 1smk h LYS 338 N 0.49 0.56 0.18 2.33 1.57 -1.34 -0.70 116.57 119.66 1smk h LYS 338 Ca 0.13 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1smk h LYS 338 Cb 0.14 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1smk h LYS 338 CO -0.02 0.49 -0.47 0.00 -0.57 0.00 0.00 179.45 178.89 1smk h ALA 339 N 1.04 -0.99 -0.91 3.86 0.00 -0.95 -1.80 119.26 119.51 1smk h ALA 339 Ca 0.13 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1smk h ALA 339 Cb 0.12 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1smk h ALA 339 CO -0.02 -1.08 0.51 0.87 0.00 0.00 0.00 179.25 179.53 1smk h LYS 340 N -0.72 0.71 0.18 0.00 1.57 -1.06 0.11 116.57 117.37 1smk h LYS 340 Ca -0.02 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1smk h LYS 340 Cb 0.70 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1smk h LYS 340 CO -0.21 0.47 -0.49 -0.22 -0.57 0.00 0.00 179.45 178.42 1smk h LYS 341 N 0.73 -0.73 0.00 3.15 3.64 -0.33 -0.05 116.57 122.98 1smk h LYS 341 Ca 0.49 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.80 1smk h LYS 341 Cb 0.66 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1smk h LYS 341 CO -0.34 -0.49 -0.55 1.49 -2.27 0.00 0.00 179.45 177.29 1smk h GLU 342 N -0.76 0.00 -0.54 1.90 4.81 -1.09 -3.25 114.58 115.66 1smk h GLU 342 Ca -0.02 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1smk h GLU 342 Cb 0.74 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1smk h GLU 342 CO -0.23 0.55 -0.12 1.25 -0.73 0.00 0.00 179.01 179.73 1smk h LEU 343 N 0.00 1.04 -0.47 1.64 5.85 -0.44 -2.88 115.31 120.05 1smk h LEU 343 Ca -0.01 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.45 1smk h LEU 343 Cb 1.12 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.79 1smk h LEU 343 CO 0.07 1.16 -0.00 0.00 -0.34 0.00 0.00 178.44 179.33 1smk h ALA 344 N 0.93 0.44 0.18 1.25 0.00 -1.04 -1.03 119.26 119.99 1smk h ALA 344 Ca 0.14 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1smk h ALA 344 Cb 0.70 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1smk h ALA 344 CO 0.05 -0.39 -0.09 0.78 0.00 0.00 0.00 179.25 179.61 1smk h GLY 345 N 0.11 -0.25 -0.06 0.00 0.00 -1.67 -2.34 103.07 98.87 1smk h GLY 345 Ca 0.24 0.09 0.10 0.00 0.00 0.00 0.00 47.33 47.76 1smk h GLY 345 CO -0.39 -0.09 -0.18 1.76 0.00 0.00 0.00 176.54 177.64 1smk h SER 346 N -0.32 -0.63 -0.67 0.19 0.02 -1.22 0.40 113.55 111.33 1smk h SER 346 Ca -0.02 0.16 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 1smk h SER 346 Cb 0.24 0.36 -0.07 0.00 0.14 0.00 0.00 62.40 63.08 1smk h SER 346 CO 0.04 -0.21 0.29 0.40 -1.14 0.00 0.00 176.83 176.21 1smk h ILE 347 N -0.07 0.79 -0.38 3.27 2.04 -1.07 -1.56 117.51 120.54 1smk h ILE 347 Ca 0.23 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 1smk h ILE 347 Cb 0.42 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1smk h ILE 347 CO -0.53 0.09 -0.11 -0.08 0.00 0.00 0.00 178.15 177.53 1smk h GLU 348 N 0.50 0.74 -0.79 2.37 4.57 -0.50 -0.50 114.58 120.96 1smk h GLU 348 Ca 0.34 -0.29 0.17 0.00 -1.18 0.00 0.00 59.36 58.40 1smk h GLU 348 Cb 0.40 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 1smk h GLU 348 CO -0.30 0.89 0.53 -0.22 -1.18 0.00 0.00 179.01 178.73 1smk h LYS 349 N 0.54 0.34 0.14 1.92 3.64 0.65 0.30 116.57 124.09 1smk h LYS 349 Ca 0.09 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.22 1smk h LYS 349 Cb 0.63 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1smk h LYS 349 CO 0.04 0.22 -1.12 0.78 -2.27 0.00 0.00 179.45 177.11 1smk h GLY 350 N 0.35 0.34 1.27 5.01 0.00 -0.98 -3.23 103.07 105.82 1smk h GLY 350 Ca 0.40 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1smk h GLY 350 CO -0.12 0.75 0.22 -2.08 0.00 0.00 0.00 176.54 175.31 1smk h VAL 351 N -0.31 1.23 0.00 4.60 2.07 -0.24 -1.79 116.25 121.81 1smk h VAL 351 Ca -0.22 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1smk h VAL 351 Cb 1.73 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1smk h VAL 351 CO 0.12 0.29 0.00 -1.54 0.02 0.00 0.00 177.57 176.47 1smk n SER 352 N -4.30 0.57 0.18 0.57 3.41 0.97 -1.02 113.62 113.99 1smk n SER 352 Ca 0.05 0.62 0.04 0.00 -0.26 0.00 0.00 58.87 59.32 1smk n SER 352 Cb 0.19 -0.75 0.29 0.00 -0.26 0.00 0.00 64.21 63.69 1smk n SER 352 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1smk h PHE 353 N 0.00 0.00 0.00 7.33 3.57 -1.34 -2.58 116.94 123.92 1smk h PHE 353 Ca 0.00 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.14 1smk h PHE 353 Cb 0.41 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1smk h PHE 353 CO 0.00 0.42 -2.27 -0.89 -2.23 0.00 0.00 178.31 173.35 1smk n ILE 354 N -3.57 1.26 -0.03 1.41 2.08 -0.95 -4.67 119.36 114.89 1smk n ILE 354 Ca -0.00 -0.39 -0.11 0.00 0.56 0.00 0.00 62.75 62.81 1smk n ILE 354 Cb 0.54 -1.57 -0.05 0.00 -0.75 0.00 0.00 39.64 37.80 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 -0.47 0.20 0.00 0.38 2.47 -1.20 -3.51 114.38 112.25 1smk h ARG 355 Ca -0.54 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 1smk h ARG 355 Cb 1.62 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.90 1smk h ARG 355 CO -0.23 0.28 0.00 0.43 0.56 0.00 0.00 179.97 181.01