#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk n ILE 3 N 0.00 0.00 0.69 2.12 3.06 -1.26 -3.82 119.36 120.15 3nnk n ILE 3 Ca 0.00 -0.03 0.07 0.00 -2.50 0.00 0.00 62.75 60.29 3nnk n ILE 3 Cb 0.00 -0.19 0.37 0.00 0.54 0.00 0.00 39.64 40.37 3nnk n ILE 3 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3nnk n THR 4 N -1.16 0.63 -0.93 9.51 -2.24 -1.26 -1.17 114.28 117.66 3nnk n THR 4 Ca 0.12 0.16 0.03 0.00 -2.27 0.00 0.00 64.05 62.08 3nnk n THR 4 Cb 0.29 -0.90 0.37 0.00 -2.10 0.00 0.00 70.33 67.99 3nnk n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nnk n GLN 5 N -1.32 4.51 -3.98 -0.78 10.64 -1.25 -4.71 117.38 120.50 3nnk n GLN 5 Ca 0.07 -3.11 -0.32 0.00 -1.83 0.00 0.00 57.00 51.81 3nnk n GLN 5 Cb 0.13 -2.25 -0.14 0.00 -0.86 0.00 0.00 30.24 27.11 3nnk n GLN 5 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3nnk s PHE 6 N -2.82 3.69 0.59 2.61 0.40 -0.32 -5.12 117.98 117.01 3nnk s PHE 6 Ca 0.54 -2.96 0.04 0.00 -0.60 0.00 0.00 56.93 53.96 3nnk s PHE 6 Cb 0.42 -2.96 0.08 0.00 0.51 0.00 0.00 43.02 41.07 3nnk s PHE 6 CO 0.15 -0.93 0.82 -1.54 0.70 0.00 0.00 175.22 174.42 3nnk s SER 7 N 0.88 4.98 0.69 1.36 1.04 -1.26 -5.06 113.70 116.32 3nnk s SER 7 Ca 0.11 -0.44 -0.16 0.00 0.48 0.00 0.00 55.95 55.94 3nnk s SER 7 Cb -0.20 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.69 3nnk s SER 7 CO -0.07 -1.38 0.79 0.00 0.98 0.00 0.00 173.24 173.56 3nnk n GLN 8 N -2.40 0.50 -1.69 4.02 10.64 -1.26 -4.87 117.38 122.32 3nnk n GLN 8 Ca 0.13 0.22 -0.44 0.00 -1.83 0.00 0.00 57.00 55.07 3nnk n GLN 8 Cb 0.60 -2.05 -0.04 0.00 -0.86 0.00 0.00 30.24 27.90 3nnk n GLN 8 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3nnk n LEU 9 N -0.93 3.68 -3.07 2.61 -0.00 -1.26 -4.95 117.00 113.08 3nnk n LEU 9 Ca 0.12 1.04 -0.17 0.00 -0.00 0.00 0.00 56.01 57.01 3nnk n LEU 9 Cb 0.49 -1.51 -0.04 0.00 -0.00 0.00 0.00 43.42 42.37 3nnk n LEU 9 CO 0.49 0.01 -0.11 -3.20 -0.00 0.00 0.00 177.39 174.59 3nnk n ASN 10 N 4.40 -1.61 -4.74 1.96 4.05 -1.26 -5.14 115.26 112.91 3nnk n ASN 10 Ca 0.17 -2.73 -0.40 0.00 0.45 0.00 0.00 54.58 52.07 3nnk n ASN 10 Cb 0.33 0.47 -0.05 0.00 1.23 0.00 0.00 39.78 41.76 3nnk n ASN 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3nnk s PRO 11 N 0.17 4.76 0.51 1.20 0.04 -1.26 -5.00 135.00 135.42 3nnk s PRO 11 Ca 0.32 1.55 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 3nnk s PRO 11 Cb 0.08 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 3nnk s PRO 11 CO -0.15 0.35 1.36 -1.25 0.04 0.00 0.00 177.00 177.36 3nnk s PRO 12 N -0.81 3.32 0.09 0.56 0.04 -1.26 -4.92 135.00 132.02 3nnk s PRO 12 Ca 0.44 2.25 -0.31 0.00 0.04 0.00 0.00 61.00 63.42 3nnk s PRO 12 Cb -0.26 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 31.81 3nnk s PRO 12 CO 0.33 -1.05 1.72 0.45 0.04 0.00 0.00 177.00 178.49 3nnk s SER 13 N -0.87 6.54 -0.00 6.66 0.15 -1.26 -5.00 113.70 119.92 3nnk s SER 13 Ca 0.68 2.58 0.01 0.00 0.70 0.00 0.00 55.95 59.93 3nnk s SER 13 Cb -0.40 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.34 3nnk s SER 13 CO 0.49 -0.93 -0.05 -0.13 1.20 0.00 0.00 173.24 173.82 3nnk s ARG 14 N 2.71 0.39 -0.49 5.44 1.81 -1.26 -4.84 118.95 122.70 3nnk s ARG 14 Ca 0.77 -0.17 -0.16 0.00 -1.72 0.00 0.00 55.73 54.45 3nnk s ARG 14 Cb -0.42 -0.37 0.08 0.00 -0.45 0.00 0.00 34.95 33.79 3nnk s ARG 14 CO 0.34 0.10 0.43 -1.17 -0.68 0.00 0.00 175.30 174.32 3nnk s LEU 15 N -0.11 5.68 -0.64 2.53 2.96 0.47 -4.94 118.68 124.63 3nnk s LEU 15 Ca 0.02 -1.38 -0.25 0.00 -0.22 0.00 0.00 54.13 52.30 3nnk s LEU 15 Cb -0.02 -2.20 0.05 0.00 0.50 0.00 0.00 46.19 44.52 3nnk s LEU 15 CO -0.00 -0.70 1.06 -0.76 -1.32 0.00 0.00 176.35 174.63 3nnk s LEU 16 N 1.70 3.89 -0.32 -0.68 1.43 -1.26 -1.50 118.68 121.95 3nnk s LEU 16 Ca 0.05 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.67 3nnk s LEU 16 Cb -0.25 -2.66 0.46 0.00 0.03 0.00 0.00 46.19 43.77 3nnk s LEU 16 CO 0.06 -1.48 1.29 0.23 0.23 0.00 0.00 176.35 176.69 3nnk n MET 17 N 8.12 3.14 -0.09 1.70 2.81 -0.27 -4.34 117.12 128.20 3nnk n MET 17 Ca 0.01 -3.91 0.00 0.00 -1.81 0.00 0.00 57.70 51.99 3nnk n MET 17 Cb 0.47 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 3nnk n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nnk n GLY 18 N -0.81 2.48 0.27 3.03 0.00 -1.06 -0.34 105.19 108.76 3nnk n GLY 18 Ca 0.42 -2.05 0.17 0.00 0.00 0.00 0.00 46.02 44.56 3nnk n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 19 N 0.00 0.00 0.00 1.61 0.13 -1.93 -3.16 132.00 128.65 3nnk h PRO 19 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3nnk h PRO 19 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3nnk h PRO 19 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 3nnk n GLY 20 N 0.10 4.27 3.78 1.56 0.00 -1.26 -4.91 105.19 108.74 3nnk n GLY 20 Ca 0.01 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3nnk n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 21 N -3.40 2.91 0.35 1.61 0.04 -1.26 -5.15 135.00 130.10 3nnk s PRO 21 Ca 0.00 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.39 3nnk s PRO 21 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3nnk s PRO 21 CO 0.00 -1.14 0.18 0.96 0.04 0.00 0.00 177.00 177.03 3nnk s ILE 22 N -2.50 3.02 0.19 0.56 -5.25 -0.88 -4.81 121.20 111.53 3nnk s ILE 22 Ca 0.64 -1.63 -0.33 0.00 -0.99 0.00 0.00 60.65 58.35 3nnk s ILE 22 Cb -0.18 -3.01 -0.15 0.00 2.95 0.00 0.00 42.46 42.07 3nnk s ILE 22 CO 0.43 -0.16 1.28 0.59 -1.79 0.00 0.00 174.94 175.29 3nnk n ASN 23 N -1.21 1.92 -4.78 4.36 4.13 -1.26 -4.85 115.26 113.57 3nnk n ASN 23 Ca -0.02 1.14 -0.38 0.00 1.68 0.00 0.00 54.58 57.00 3nnk n ASN 23 Cb 0.61 -1.30 -0.06 0.00 -1.54 0.00 0.00 39.78 37.50 3nnk n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk s ALA 24 N -0.06 3.33 0.10 5.41 0.00 -1.26 -4.44 121.76 124.84 3nnk s ALA 24 Ca 0.72 0.43 -0.35 0.00 0.00 0.00 0.00 51.96 52.77 3nnk s ALA 24 Cb -0.78 -3.06 -0.14 0.00 0.00 0.00 0.00 23.12 19.13 3nnk s ALA 24 CO 0.50 0.24 1.57 -3.47 0.00 0.00 0.00 175.76 174.60 3nnk n ASP 25 N 0.98 2.80 -0.28 0.00 -0.08 -0.40 -4.88 116.55 114.69 3nnk n ASP 25 Ca -0.01 1.08 0.13 0.00 -1.51 0.00 0.00 54.79 54.47 3nnk n ASP 25 Cb 0.49 -1.36 0.39 0.00 2.34 0.00 0.00 41.12 42.98 3nnk n ASP 25 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3nnk h PRO 26 N 6.07 0.65 -0.86 -0.67 0.11 -1.95 -1.36 132.00 133.99 3nnk h PRO 26 Ca -0.46 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3nnk h PRO 26 Cb 1.28 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3nnk h PRO 26 CO 0.87 0.43 0.56 0.00 -0.21 0.00 0.00 178.00 179.65 3nnk h ARG 27 N 0.67 1.14 -0.56 1.05 -0.00 -1.95 -0.35 114.38 114.38 3nnk h ARG 27 Ca 0.47 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.98 59.81 3nnk h ARG 27 Cb 0.80 -0.25 -0.02 0.00 0.00 0.00 0.00 29.97 30.49 3nnk h ARG 27 CO -0.22 0.77 0.09 0.28 0.00 0.00 0.00 179.97 180.88 3nnk h VAL 28 N 1.17 1.24 -0.43 2.04 2.07 -1.56 -1.32 116.25 119.46 3nnk h VAL 28 Ca 0.32 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 3nnk h VAL 28 Cb -0.12 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3nnk h VAL 28 CO -0.07 0.34 0.06 -0.07 0.02 0.00 0.00 177.57 177.85 3nnk h LEU 29 N 0.85 0.70 -0.30 2.57 3.38 -0.82 -3.07 115.31 118.62 3nnk h LEU 29 Ca 0.18 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3nnk h LEU 29 Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3nnk h LEU 29 CO 0.01 0.79 -0.07 0.03 0.09 0.00 0.00 178.44 179.29 3nnk h ARG 30 N 0.58 0.58 -0.84 1.13 3.08 -0.90 -2.90 114.38 115.11 3nnk h ARG 30 Ca 0.13 -0.22 0.23 0.00 0.07 0.00 0.00 59.98 60.18 3nnk h ARG 30 Cb 0.40 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 3nnk h ARG 30 CO 0.01 0.77 0.59 0.00 -1.07 0.00 0.00 179.97 180.27 3nnk h ALA 31 N 0.79 2.59 0.00 0.04 0.00 -1.26 0.32 119.26 121.74 3nnk h ALA 31 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3nnk h ALA 31 Cb 0.56 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3nnk h ALA 31 CO 0.03 -0.84 -0.09 0.52 0.00 0.00 0.00 179.25 178.87 3nnk h MET 32 N 0.13 0.00 -0.00 0.00 2.86 -1.41 -2.96 114.93 113.55 3nnk h MET 32 Ca 0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 3nnk h MET 32 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.09 3nnk h MET 32 CO -0.06 0.09 -0.02 -1.13 1.06 0.00 0.00 176.91 176.84 3nnk n SER 33 N -3.20 0.34 -4.75 1.22 3.41 0.10 -4.92 113.62 105.82 3nnk n SER 33 Ca 0.01 -0.87 -0.35 0.00 -0.26 0.00 0.00 58.87 57.39 3nnk n SER 33 Cb 0.38 -0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 3nnk n SER 33 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3nnk s SER 34 N -2.18 5.12 0.44 4.04 0.15 -1.12 -4.99 113.70 115.17 3nnk s SER 34 Ca 0.40 2.32 -0.25 0.00 0.70 0.00 0.00 55.95 59.12 3nnk s SER 34 Cb 0.21 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.85 3nnk s SER 34 CO 0.40 -1.64 1.31 -1.10 1.20 0.00 0.00 173.24 173.41 3nnk s GLN 35 N -3.47 3.76 0.62 5.44 -0.21 -1.26 -5.02 119.66 119.52 3nnk s GLN 35 Ca 0.75 2.15 -0.07 0.00 0.02 0.00 0.00 55.36 58.22 3nnk s GLN 35 Cb -0.28 -2.61 0.02 0.00 1.00 0.00 0.00 33.01 31.13 3nnk s GLN 35 CO 0.35 -0.66 0.94 -0.51 -2.12 0.00 0.00 175.29 173.28 3nnk s LEU 36 N -2.74 3.14 0.33 2.90 1.43 -1.26 -5.10 118.68 117.39 3nnk s LEU 36 Ca 0.61 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 3nnk s LEU 36 Cb -0.38 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 3nnk s LEU 36 CO 0.48 -1.16 0.09 0.27 0.23 0.00 0.00 176.35 176.25 3nnk s ILE 37 N -3.06 0.90 0.72 -0.59 -0.00 -1.26 -5.16 121.20 112.75 3nnk s ILE 37 Ca 0.55 -2.00 -0.12 0.00 -0.00 0.00 0.00 60.65 59.08 3nnk s ILE 37 Cb -0.11 -2.64 0.03 0.00 -0.00 0.00 0.00 42.46 39.74 3nnk s ILE 37 CO 0.46 0.00 1.10 -0.83 -0.00 0.00 0.00 174.94 175.67 3nnk s GLY 38 N -3.49 1.89 0.30 6.27 0.00 -1.26 -4.96 107.32 106.07 3nnk s GLY 38 Ca 0.33 0.39 -0.02 0.00 0.00 0.00 0.00 44.72 45.42 3nnk s GLY 38 CO 0.15 0.73 1.97 -1.61 0.00 0.00 0.00 173.10 174.34 3nnk h GLN 39 N -0.60 1.06 -0.24 2.90 4.15 -2.01 -2.90 115.11 117.47 3nnk h GLN 39 Ca -0.45 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.90 3nnk h GLN 39 Cb 1.24 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.69 3nnk h GLN 39 CO 0.53 0.71 0.00 0.66 -1.93 0.00 0.00 178.83 178.80 3nnk n TYR 40 N -4.40 0.75 -1.82 3.99 4.01 -1.26 -4.63 117.16 113.79 3nnk n TYR 40 Ca 0.09 -0.81 -0.41 0.00 -0.16 0.00 0.00 57.90 56.60 3nnk n TYR 40 Cb 0.03 -0.24 -0.02 0.00 -0.31 0.00 0.00 39.34 38.80 3nnk n TYR 40 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3nnk s ASP 41 N -1.83 6.43 0.57 7.72 -1.08 -1.10 -4.88 116.67 122.50 3nnk s ASP 41 Ca 0.37 2.89 0.31 0.00 -0.52 0.00 0.00 52.55 55.59 3nnk s ASP 41 Cb 0.29 -2.63 1.44 0.00 -1.46 0.00 0.00 42.92 40.56 3nnk s ASP 41 CO 0.09 -0.88 1.82 -0.65 0.52 0.00 0.00 175.17 176.08 3nnk h PRO 42 N 5.02 0.00 -0.24 4.34 0.11 -1.94 0.62 132.00 139.91 3nnk h PRO 42 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 3nnk h PRO 42 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3nnk h PRO 42 CO 0.80 0.00 -0.57 0.00 -0.21 0.00 0.00 178.00 178.02 3nnk h ALA 43 N 1.39 0.39 0.02 -0.75 0.00 -1.94 -2.61 119.26 115.76 3nnk h ALA 43 Ca 0.35 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3nnk h ALA 43 Cb 1.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3nnk h ALA 43 CO -0.00 0.61 -0.01 1.98 0.00 0.00 0.00 179.25 181.83 3nnk h MET 44 N 0.55 -0.03 0.00 0.00 -1.53 -1.15 -1.82 114.93 110.95 3nnk h MET 44 Ca -0.00 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.21 3nnk h MET 44 Cb 1.18 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.23 3nnk h MET 44 CO 0.12 0.07 -0.22 1.79 0.14 0.00 0.00 176.91 178.82 3nnk h THR 45 N -0.12 0.66 -0.31 -0.77 1.35 -1.59 -1.13 112.91 111.00 3nnk h THR 45 Ca -0.00 -0.97 -0.09 0.00 -0.55 0.00 0.00 66.41 64.81 3nnk h THR 45 Cb 0.11 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 3nnk h THR 45 CO 0.00 0.21 -0.14 -0.74 -0.25 0.00 0.00 175.52 174.61 3nnk h HIS 46 N 0.00 0.74 -0.13 4.73 6.17 -1.23 -2.46 115.15 122.97 3nnk h HIS 46 Ca -0.00 -0.18 -0.09 0.00 0.71 0.00 0.00 60.37 60.80 3nnk h HIS 46 Cb 0.60 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.35 3nnk h HIS 46 CO 0.00 0.86 -0.34 1.88 0.71 0.00 0.00 177.93 181.04 3nnk h TYR 47 N 0.40 0.29 -0.56 5.26 0.99 -0.79 -2.10 116.97 120.46 3nnk h TYR 47 Ca 0.07 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 3nnk h TYR 47 Cb 0.66 -0.07 -0.03 0.00 1.00 0.00 0.00 36.73 38.30 3nnk h TYR 47 CO 0.06 0.57 0.25 0.52 -0.00 0.00 0.00 178.16 179.56 3nnk h MET 48 N 0.22 0.82 -0.74 4.88 2.86 -1.19 -1.29 114.93 120.50 3nnk h MET 48 Ca 0.03 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3nnk h MET 48 Cb 0.71 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 3nnk h MET 48 CO 0.05 0.69 0.44 -0.91 1.06 0.00 0.00 176.91 178.24 3nnk h ASN 49 N 0.76 0.90 -0.59 1.22 -0.26 -1.24 -2.61 115.58 113.76 3nnk h ASN 49 Ca 0.19 -0.07 -0.08 0.00 -0.56 0.00 0.00 56.30 55.78 3nnk h ASN 49 Cb 0.15 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 3nnk h ASN 49 CO -0.02 0.70 0.08 -0.33 -1.06 0.00 0.00 177.43 176.80 3nnk h GLU 50 N 1.01 1.01 -0.45 0.81 5.08 -1.12 -1.35 114.58 119.58 3nnk h GLU 50 Ca 0.26 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3nnk h GLU 50 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3nnk h GLU 50 CO -0.05 0.95 0.29 0.28 -1.00 0.00 0.00 179.01 179.47 3nnk h VAL 51 N 0.95 1.09 0.45 3.13 2.07 -1.11 0.25 116.25 123.07 3nnk h VAL 51 Ca 0.19 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3nnk h VAL 51 Cb 0.44 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3nnk h VAL 51 CO 0.01 0.11 -0.38 0.24 0.02 0.00 0.00 177.57 177.57 3nnk h MET 52 N 0.58 -0.80 -0.61 1.57 2.86 -1.15 0.43 114.93 117.81 3nnk h MET 52 Ca 0.17 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.96 3nnk h MET 52 Cb -0.04 0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 3nnk h MET 52 CO -0.05 -0.53 0.20 0.00 1.06 0.00 0.00 176.91 177.59 3nnk h ALA 53 N -0.44 0.78 -0.49 6.32 0.00 -1.06 -1.81 119.26 122.56 3nnk h ALA 53 Ca -0.04 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3nnk h ALA 53 Cb 0.72 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3nnk h ALA 53 CO -0.03 -0.23 -0.10 -0.07 0.00 0.00 0.00 179.25 178.83 3nnk h LEU 54 N 0.36 0.93 -0.24 0.00 3.38 -0.34 -3.04 115.31 116.36 3nnk h LEU 54 Ca 0.31 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3nnk h LEU 54 Cb 0.42 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3nnk h LEU 54 CO -0.34 1.06 0.00 -1.22 0.09 0.00 0.00 178.44 178.04 3nnk n TYR 55 N -4.23 0.67 -0.15 1.13 4.01 0.12 -2.48 117.16 116.22 3nnk n TYR 55 Ca 0.00 0.22 -0.08 0.00 -0.16 0.00 0.00 57.90 57.89 3nnk n TYR 55 Cb 0.38 -0.86 0.07 0.00 -0.31 0.00 0.00 39.34 38.62 3nnk n TYR 55 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3nnk h ARG 56 N 0.00 0.93 -0.03 -0.72 3.08 -1.22 -1.55 114.38 114.87 3nnk h ARG 56 Ca 0.00 -0.31 -0.19 0.00 0.07 0.00 0.00 59.98 59.55 3nnk h ARG 56 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3nnk h ARG 56 CO 0.00 0.96 -0.79 0.78 -1.07 0.00 0.00 179.97 179.85 3nnk h GLY 57 N 0.97 0.31 0.66 0.04 0.00 -1.55 0.41 103.07 103.91 3nnk h GLY 57 Ca 0.14 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3nnk h GLY 57 CO 0.04 0.43 -0.16 -2.08 0.00 0.00 0.00 176.54 174.77 3nnk h VAL 58 N 0.18 1.39 0.00 4.60 2.07 -1.49 -2.96 116.25 120.03 3nnk h VAL 58 Ca -0.04 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.06 3nnk h VAL 58 Cb 1.38 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3nnk h VAL 58 CO 0.13 0.40 0.00 -0.26 0.02 0.00 0.00 177.57 177.86 3nnk h PHE 59 N -0.18 0.00 -5.47 1.57 0.04 -1.35 -3.46 116.94 108.09 3nnk h PHE 59 Ca 0.01 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.51 3nnk h PHE 59 Cb 0.73 0.00 0.19 0.00 2.20 0.00 0.00 35.95 39.07 3nnk h PHE 59 CO 0.10 0.00 -0.84 0.54 -0.60 0.00 0.00 178.31 177.52 3nnk n ARG 60 N -2.50 -3.02 -4.15 1.51 5.12 -0.46 -2.97 116.66 110.20 3nnk n ARG 60 Ca 0.02 0.86 -0.11 0.00 -1.93 0.00 0.00 57.85 56.69 3nnk n ARG 60 Cb 0.25 -5.82 -0.09 0.00 -1.16 0.00 0.00 32.46 25.64 3nnk n ARG 60 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3nnk s THR 61 N -3.38 0.04 -0.32 0.55 -1.32 0.13 -3.44 115.64 107.91 3nnk s THR 61 Ca 0.38 -1.88 0.03 0.00 -1.21 0.00 0.00 61.69 59.00 3nnk s THR 61 Cb -0.05 -2.25 0.02 0.00 -1.51 0.00 0.00 72.50 68.71 3nnk s THR 61 CO 0.73 -0.20 0.58 -0.62 -2.21 0.00 0.00 174.62 172.91 3nnk n GLU 62 N -0.20 -0.62 -1.65 7.08 1.02 -1.26 -4.49 120.64 120.51 3nnk n GLU 62 Ca -0.02 -0.66 -0.61 0.00 -0.02 0.00 0.00 57.16 55.85 3nnk n GLU 62 Cb 0.65 -1.05 -0.09 0.00 -0.02 0.00 0.00 31.44 30.93 3nnk n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nnk n ASN 63 N 0.14 1.78 -0.27 1.62 3.02 -1.26 -4.84 115.26 115.45 3nnk n ASN 63 Ca 0.01 1.02 0.06 0.00 -0.03 0.00 0.00 54.58 55.64 3nnk n ASN 63 Cb 0.07 -1.03 0.20 0.00 -0.61 0.00 0.00 39.78 38.40 3nnk n ASN 63 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3nnk h ARG 64 N 7.06 0.49 -3.71 3.52 2.43 -1.97 -3.29 114.38 118.92 3nnk h ARG 64 Ca -0.40 -0.03 -0.77 0.00 -0.81 0.00 0.00 59.98 57.97 3nnk h ARG 64 Cb 1.35 -0.11 -0.22 0.00 -0.42 0.00 0.00 29.97 30.57 3nnk h ARG 64 CO 0.99 0.33 1.21 0.91 -1.51 0.00 0.00 179.97 181.89 3nnk n TRP 65 N -4.95 3.83 -4.38 2.20 7.02 -1.26 -4.93 117.44 114.97 3nnk n TRP 65 Ca 0.15 -3.14 -0.34 0.00 -1.02 0.00 0.00 57.50 53.16 3nnk n TRP 65 Cb 0.42 -1.79 -0.14 0.00 -2.42 0.00 0.00 31.31 27.37 3nnk n TRP 65 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3nnk s THR 66 N -0.44 3.01 0.16 -0.99 2.01 -1.24 -1.63 115.64 116.53 3nnk s THR 66 Ca 0.36 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 3nnk s THR 66 Cb 0.01 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.23 3nnk s THR 66 CO 0.01 0.49 0.30 1.15 -0.69 0.00 0.00 174.62 175.88 3nnk n MET 67 N 4.14 0.43 -4.39 4.92 0.00 -0.77 -4.41 117.12 117.03 3nnk n MET 67 Ca -0.19 -1.03 -0.33 0.00 0.00 0.00 0.00 57.70 56.16 3nnk n MET 67 Cb 0.52 1.18 -0.10 0.00 0.00 0.00 0.00 33.22 34.82 3nnk n MET 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3nnk s LEU 68 N 0.00 3.40 -0.19 3.17 1.43 -1.26 -1.00 118.68 124.22 3nnk s LEU 68 Ca 0.08 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3nnk s LEU 68 Cb -0.02 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3nnk s LEU 68 CO 0.06 0.31 0.02 -0.69 0.23 0.00 0.00 176.35 176.28 3nnk s VAL 69 N -0.98 4.24 -1.00 -1.59 1.01 0.11 -4.95 120.40 117.24 3nnk s VAL 69 Ca 0.17 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 3nnk s VAL 69 Cb -0.11 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.42 3nnk s VAL 69 CO 0.07 0.45 1.42 -1.81 0.00 0.00 0.00 175.10 175.22 3nnk s ASP 70 N 0.65 6.49 0.00 3.32 -0.00 -1.26 -0.33 116.67 125.54 3nnk s ASP 70 Ca 0.01 -1.43 0.00 0.00 -0.00 0.00 0.00 52.55 51.12 3nnk s ASP 70 Cb -0.14 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.22 3nnk s ASP 70 CO 0.02 -1.50 0.00 0.61 -0.00 0.00 0.00 175.17 174.30 3nnk n GLY 71 N 6.71 1.90 3.47 0.21 0.00 -0.40 -4.97 105.19 112.11 3nnk n GLY 71 Ca 0.31 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 3nnk n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nnk s THR 72 N -2.00 2.00 0.27 2.61 -4.23 -1.25 -1.79 115.64 111.24 3nnk s THR 72 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 3nnk s THR 72 Cb 0.00 -2.01 0.30 0.00 1.34 0.00 0.00 72.50 72.13 3nnk s THR 72 CO 0.00 -0.00 1.64 0.28 -0.54 0.00 0.00 174.62 176.00 3nnk h SER 73 N -2.71 -0.19 0.96 3.99 0.02 -1.81 0.10 113.55 113.90 3nnk h SER 73 Ca -0.62 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3nnk h SER 73 Cb 1.33 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.18 3nnk h SER 73 CO 0.49 -0.17 0.00 0.08 -1.14 0.00 0.00 176.83 176.10 3nnk h ARG 74 N 0.15 0.00 -0.60 3.45 -0.00 -1.89 -1.69 114.38 113.80 3nnk h ARG 74 Ca 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.40 3nnk h ARG 74 Cb 0.90 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.84 3nnk h ARG 74 CO -0.66 0.00 0.17 0.00 -0.00 0.00 0.00 179.97 179.47 3nnk h ALA 75 N 2.31 1.15 -0.37 0.08 0.00 -1.27 -0.25 119.26 120.92 3nnk h ALA 75 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3nnk h ALA 75 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3nnk h ALA 75 CO 0.00 0.58 -0.29 0.78 0.00 0.00 0.00 179.25 180.32 3nnk h GLY 76 N 1.02 0.85 0.91 0.00 0.00 -1.34 -0.46 103.07 104.05 3nnk h GLY 76 Ca 0.20 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3nnk h GLY 76 CO -0.00 0.70 -0.12 -2.22 0.00 0.00 0.00 176.54 174.90 3nnk h ILE 77 N 0.66 0.79 -0.40 2.60 2.04 -1.32 -2.76 117.51 119.13 3nnk h ILE 77 Ca 0.08 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.77 3nnk h ILE 77 Cb 0.81 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3nnk h ILE 77 CO 0.07 0.04 0.23 -0.08 0.00 0.00 0.00 178.15 178.41 3nnk h GLU 78 N -0.42 0.45 -0.49 2.37 4.81 -0.97 0.05 114.58 120.39 3nnk h GLU 78 Ca -0.03 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.27 3nnk h GLU 78 Cb 0.32 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.51 3nnk h GLU 78 CO 0.05 0.30 -0.05 0.00 -0.73 0.00 0.00 179.01 178.58 3nnk h ALA 79 N 1.18 0.40 -0.52 2.92 0.00 -1.08 0.42 119.26 122.58 3nnk h ALA 79 Ca 0.16 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3nnk h ALA 79 Cb 0.01 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3nnk h ALA 79 CO -0.07 -0.41 -0.14 0.82 0.00 0.00 0.00 179.25 179.44 3nnk h ILE 80 N 0.06 1.27 -0.26 0.00 2.04 -1.23 -2.92 117.51 116.47 3nnk h ILE 80 Ca 0.24 -1.30 -0.13 0.00 1.00 0.00 0.00 64.86 64.67 3nnk h ILE 80 Cb 0.37 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3nnk h ILE 80 CO -0.45 0.45 -0.36 -0.07 0.00 0.00 0.00 178.15 177.73 3nnk h LEU 81 N 0.87 0.77 -1.23 1.44 3.38 0.26 -0.92 115.31 119.88 3nnk h LEU 81 Ca 0.13 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 3nnk h LEU 81 Cb 0.71 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3nnk h LEU 81 CO 0.05 1.12 -0.20 0.58 0.09 0.00 0.00 178.44 180.09 3nnk h VAL 82 N 0.44 0.53 0.00 1.22 2.07 -0.31 -1.94 116.25 118.26 3nnk h VAL 82 Ca 0.03 -1.02 -0.21 0.00 0.82 0.00 0.00 66.70 66.32 3nnk h VAL 82 Cb 0.95 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 3nnk h VAL 82 CO 0.08 0.20 -1.33 0.28 0.02 0.00 0.00 177.57 176.82 3nnk h SER 83 N 0.00 0.00 0.39 0.57 0.02 -1.39 -3.38 113.55 109.76 3nnk h SER 83 Ca -0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 3nnk h SER 83 Cb 0.68 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 3nnk h SER 83 CO 0.03 0.80 -1.80 0.00 -1.14 0.00 0.00 176.83 174.72 3nnk n ALA 84 N -2.42 1.34 -2.71 3.77 0.00 -0.36 -4.57 120.51 115.56 3nnk n ALA 84 Ca -0.09 -0.73 -0.39 0.00 0.00 0.00 0.00 53.44 52.23 3nnk n ALA 84 Cb 0.92 -0.80 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 3nnk n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nnk s ILE 85 N -2.59 4.95 0.31 0.00 1.01 -0.74 -5.01 121.20 119.15 3nnk s ILE 85 Ca -0.09 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 3nnk s ILE 85 Cb 0.08 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.96 3nnk s ILE 85 CO 0.81 0.08 0.70 -0.13 0.00 0.00 0.00 174.94 176.40 3nnk s ARG 86 N 1.68 3.94 0.12 2.79 3.00 -1.26 -4.79 118.95 124.43 3nnk s ARG 86 Ca 0.06 0.57 -0.35 0.00 0.00 0.00 0.00 55.73 56.01 3nnk s ARG 86 Cb -0.17 -2.47 -0.17 0.00 0.00 0.00 0.00 34.95 32.15 3nnk s ARG 86 CO 0.08 0.17 1.19 -2.30 0.00 0.00 0.00 175.30 174.44 3nnk n PRO 87 N -0.40 0.96 -0.18 3.54 -0.02 -1.26 -2.08 135.00 135.55 3nnk n PRO 87 Ca 0.03 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3nnk n PRO 87 Cb 0.53 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3nnk n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nnk n GLY 88 N 2.13 1.27 3.77 -1.23 0.00 0.13 -5.00 105.19 106.25 3nnk n GLY 88 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3nnk n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nnk s ASP 89 N -3.02 6.13 0.20 1.61 1.01 -0.88 -4.45 116.67 117.26 3nnk s ASP 89 Ca 0.00 2.50 -0.27 0.00 0.71 0.00 0.00 52.55 55.49 3nnk s ASP 89 Cb 0.00 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 3nnk s ASP 89 CO 0.00 -0.96 0.84 -0.54 0.21 0.00 0.00 175.17 174.71 3nnk s LYS 90 N -2.52 4.66 -0.03 8.23 1.02 -1.26 -1.09 119.74 128.74 3nnk s LYS 90 Ca 0.62 1.27 -0.00 0.00 0.02 0.00 0.00 55.97 57.87 3nnk s LYS 90 Cb -0.34 -3.24 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 3nnk s LYS 90 CO 0.42 0.54 0.02 0.08 -0.92 0.00 0.00 175.35 175.49 3nnk s VAL 91 N -1.19 0.07 -0.22 3.17 1.01 -0.32 -1.97 120.40 120.96 3nnk s VAL 91 Ca 0.38 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 3nnk s VAL 91 Cb -0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3nnk s VAL 91 CO 0.28 0.15 0.07 -0.22 0.00 0.00 0.00 175.10 175.38 3nnk s LEU 92 N 1.40 3.66 -0.21 3.92 2.96 -0.43 0.75 118.68 130.73 3nnk s LEU 92 Ca -0.05 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3nnk s LEU 92 Cb -0.13 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.65 3nnk s LEU 92 CO -0.03 0.07 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.30 3nnk s VAL 93 N 1.01 1.56 -0.53 1.68 1.01 -0.17 -0.44 120.40 124.52 3nnk s VAL 93 Ca 0.04 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 3nnk s VAL 93 Cb -0.14 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.56 3nnk s VAL 93 CO 0.03 0.07 1.09 -2.84 0.00 0.00 0.00 175.10 173.45 3nnk s PRO 94 N 1.41 3.53 -0.24 2.72 0.02 -1.24 -2.88 135.00 138.31 3nnk s PRO 94 Ca -0.03 0.21 -0.15 0.00 0.02 0.00 0.00 61.00 61.05 3nnk s PRO 94 Cb -0.17 -3.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.33 3nnk s PRO 94 CO -0.07 -1.51 0.37 0.08 -0.33 0.00 0.00 177.00 175.54 3nnk s VAL 95 N 4.47 5.19 0.00 3.83 1.01 -0.43 -4.69 120.40 129.79 3nnk s VAL 95 Ca 0.41 0.61 0.00 0.00 0.00 0.00 0.00 61.98 63.00 3nnk s VAL 95 Cb -0.09 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3nnk s VAL 95 CO 0.26 0.21 0.63 2.22 0.00 0.00 0.00 175.10 178.42 3nnk n PHE 96 N 4.91 0.00 -3.84 5.22 1.16 -1.26 -2.91 117.46 120.74 3nnk n PHE 96 Ca -0.09 -0.18 -0.00 0.00 -1.87 0.00 0.00 57.45 55.31 3nnk n PHE 96 Cb 0.51 -0.02 0.01 0.00 -1.61 0.00 0.00 39.48 38.37 3nnk n PHE 96 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3nnk n GLY 97 N -0.18 0.62 0.32 4.97 0.00 -1.26 -4.48 105.19 105.17 3nnk n GLY 97 Ca 0.00 -1.03 0.10 0.00 0.00 0.00 0.00 46.02 45.08 3nnk n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3nnk h ARG 98 N 0.00 0.63 0.00 1.61 1.12 -1.95 -1.87 114.38 113.92 3nnk h ARG 98 Ca -0.17 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 3nnk h ARG 98 Cb 0.80 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.62 3nnk h ARG 98 CO 0.23 0.41 0.00 1.19 -3.11 0.00 0.00 179.97 178.69 3nnk n PHE 99 N -4.86 0.58 -0.12 2.20 3.72 -1.26 -2.25 117.46 115.48 3nnk n PHE 99 Ca 0.20 0.18 -0.10 0.00 -0.05 0.00 0.00 57.45 57.67 3nnk n PHE 99 Cb 0.50 -0.79 0.03 0.00 -0.94 0.00 0.00 39.48 38.28 3nnk n PHE 99 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3nnk h GLY 100 N 4.13 0.96 1.69 1.37 0.00 -1.69 -2.93 103.07 106.60 3nnk h GLY 100 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 47.33 46.37 3nnk h GLY 100 CO 0.00 0.80 -0.21 0.45 0.00 0.00 0.00 176.54 177.58 3nnk h HIS 101 N 0.75 0.40 -0.55 5.60 3.86 -1.47 -2.67 115.15 121.07 3nnk h HIS 101 Ca 0.09 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3nnk h HIS 101 Cb 0.83 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 3nnk h HIS 101 CO 0.05 0.56 0.35 1.25 0.86 0.00 0.00 177.93 180.99 3nnk h LEU 102 N 0.33 0.58 -1.05 2.43 5.85 -1.42 -1.63 115.31 120.41 3nnk h LEU 102 Ca 0.06 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3nnk h LEU 102 Cb 0.56 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3nnk h LEU 102 CO 0.04 0.42 0.03 -0.07 -0.34 0.00 0.00 178.44 178.51 3nnk h LEU 103 N 0.70 0.66 -0.98 2.25 3.38 -1.33 -1.31 115.31 118.67 3nnk h LEU 103 Ca 0.21 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3nnk h LEU 103 Cb -0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3nnk h LEU 103 CO -0.07 0.72 0.25 0.00 0.09 0.00 0.00 178.44 179.43 3nnk h GLU 105 N 0.97 0.16 -0.05 0.00 4.39 -0.87 -0.84 114.58 118.34 3nnk h GLU 105 Ca 0.22 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3nnk h GLU 105 Cb 0.20 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3nnk h GLU 105 CO -0.02 0.74 -0.10 0.82 -1.16 0.00 0.00 179.01 179.29 3nnk h ILE 106 N -0.39 0.73 -0.66 3.13 2.04 -1.26 -0.88 117.51 120.22 3nnk h ILE 106 Ca -0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3nnk h ILE 106 Cb 0.76 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 3nnk h ILE 106 CO 0.03 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.46 3nnk h ALA 107 N 0.86 0.88 -0.45 1.87 0.00 -1.40 -1.58 119.26 119.45 3nnk h ALA 107 Ca 0.05 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3nnk h ALA 107 Cb 0.23 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3nnk h ALA 107 CO -0.14 -0.13 -0.01 -0.09 0.00 0.00 0.00 179.25 178.88 3nnk h ARG 108 N 0.49 0.09 0.00 0.00 2.43 -0.45 -1.30 114.38 115.65 3nnk h ARG 108 Ca 0.33 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3nnk h ARG 108 Cb 0.39 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3nnk h ARG 108 CO -0.29 0.06 0.00 0.54 -1.51 0.00 0.00 179.97 178.77 3nnk n ARG 109 N -5.23 0.73 -0.24 0.20 1.74 -0.40 -1.03 116.66 112.43 3nnk n ARG 109 Ca 0.04 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.21 3nnk n ARG 109 Cb 0.24 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.42 3nnk n ARG 109 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk n ARG 111 N 0.97 -7.03 -4.13 0.00 1.74 -0.20 -4.19 116.66 103.83 3nnk n ARG 111 Ca 0.17 0.82 -0.33 0.00 -0.77 0.00 0.00 57.85 57.74 3nnk n ARG 111 Cb 0.43 -5.83 -0.07 0.00 -1.02 0.00 0.00 32.46 25.98 3nnk n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk s ALA 112 N -3.36 3.53 -0.48 7.54 0.00 -0.94 0.20 121.76 128.26 3nnk s ALA 112 Ca 0.26 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 3nnk s ALA 112 Cb -0.11 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.48 3nnk s ALA 112 CO 0.74 0.68 1.44 -2.00 0.00 0.00 0.00 175.76 176.62 3nnk s GLU 113 N -1.72 3.42 -0.26 0.00 2.12 -0.25 -4.54 118.70 117.47 3nnk s GLU 113 Ca 0.22 0.74 -0.17 0.00 0.36 0.00 0.00 54.97 56.12 3nnk s GLU 113 Cb -0.12 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.16 3nnk s GLU 113 CO 0.13 -1.77 0.46 0.08 -0.54 0.00 0.00 175.26 173.63 3nnk s VAL 114 N 5.87 5.11 0.03 3.70 1.01 -1.26 -1.17 120.40 133.69 3nnk s VAL 114 Ca 0.58 0.78 0.04 0.00 0.00 0.00 0.00 61.98 63.38 3nnk s VAL 114 Cb -0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3nnk s VAL 114 CO 0.29 0.12 -0.06 -1.00 0.00 0.00 0.00 175.10 174.46 3nnk s HIS 115 N 2.12 2.89 0.03 5.22 3.76 0.23 -4.96 115.29 124.58 3nnk s HIS 115 Ca 0.19 -0.05 0.01 0.00 -0.15 0.00 0.00 55.06 55.06 3nnk s HIS 115 Cb -0.16 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 3nnk s HIS 115 CO 0.09 0.40 -0.05 0.95 -0.85 0.00 0.00 174.74 175.28 3nnk s THR 116 N -1.07 0.30 0.10 1.30 -4.23 -1.26 -1.00 115.64 109.78 3nnk s THR 116 Ca 0.19 -0.94 0.09 0.00 -1.18 0.00 0.00 61.69 59.85 3nnk s THR 116 Cb -0.11 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 3nnk s THR 116 CO 0.10 -0.42 -0.18 0.27 -0.54 0.00 0.00 174.62 173.85 3nnk s ILE 117 N -1.35 2.81 -0.03 2.99 -4.36 -1.14 -4.97 121.20 115.15 3nnk s ILE 117 Ca -0.12 -1.46 0.04 0.00 -0.26 0.00 0.00 60.65 58.84 3nnk s ILE 117 Cb -0.10 -2.27 -0.00 0.00 1.25 0.00 0.00 42.46 41.35 3nnk s ILE 117 CO -0.00 0.14 -0.14 -1.61 0.24 0.00 0.00 174.94 173.57 3nnk s GLU 118 N -2.02 1.43 0.25 0.37 2.02 -1.26 -1.31 118.70 118.17 3nnk s GLU 118 Ca 0.17 -0.49 0.11 0.00 0.02 0.00 0.00 54.97 54.79 3nnk s GLU 118 Cb -0.11 -1.28 -0.05 0.00 0.10 0.00 0.00 34.13 32.80 3nnk s GLU 118 CO 0.09 0.20 -0.20 0.14 0.02 0.00 0.00 175.26 175.51 3nnk s VAL 119 N 0.07 2.33 0.60 2.63 -7.23 -1.15 -5.03 120.40 112.63 3nnk s VAL 119 Ca -0.03 -2.28 -0.13 0.00 -1.81 0.00 0.00 61.98 57.74 3nnk s VAL 119 Cb -0.10 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 3nnk s VAL 119 CO 0.01 -0.36 1.03 -2.16 -0.31 0.00 0.00 175.10 173.31 3nnk s PRO 120 N -3.30 3.54 0.11 4.82 0.04 -1.26 -4.59 135.00 134.36 3nnk s PRO 120 Ca 0.26 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 3nnk s PRO 120 Cb -0.05 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 3nnk s PRO 120 CO 0.12 -0.61 1.39 -1.58 0.04 0.00 0.00 177.00 176.37 3nnk s TRP 121 N -2.96 3.24 -0.55 0.56 0.52 -1.26 -0.13 118.94 118.35 3nnk s TRP 121 Ca 0.57 0.94 0.04 0.00 0.02 0.00 0.00 56.10 57.67 3nnk s TRP 121 Cb -0.12 -3.69 0.14 0.00 -1.15 0.00 0.00 33.47 28.65 3nnk s TRP 121 CO 0.47 -2.41 0.31 0.20 0.02 0.00 0.00 176.95 175.54 3nnk s GLY 122 N 1.11 2.52 0.45 0.98 0.00 -1.26 -4.99 107.32 106.14 3nnk s GLY 122 Ca 0.65 -3.36 0.05 0.00 0.00 0.00 0.00 44.72 42.06 3nnk s GLY 122 CO 0.30 1.03 0.03 -0.54 0.00 0.00 0.00 173.10 173.91 3nnk s GLU 123 N -0.45 2.07 0.20 2.90 2.02 0.81 -2.57 118.70 123.68 3nnk s GLU 123 Ca 0.18 -2.20 0.09 0.00 0.02 0.00 0.00 54.97 53.07 3nnk s GLU 123 Cb -0.23 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 3nnk s GLU 123 CO -0.02 -0.18 -0.18 0.54 0.02 0.00 0.00 175.26 175.44 3nnk s VAL 124 N -2.76 1.95 0.74 2.63 0.11 -1.26 -4.85 120.40 116.96 3nnk s VAL 124 Ca 0.25 -2.11 -0.11 0.00 -2.93 0.00 0.00 61.98 57.07 3nnk s VAL 124 Cb 0.06 -2.01 0.04 0.00 -1.53 0.00 0.00 36.38 32.94 3nnk s VAL 124 CO 0.13 -0.41 1.09 -0.36 -3.33 0.00 0.00 175.10 172.22 3nnk s PHE 125 N -2.42 3.10 -0.04 1.54 0.08 -1.26 -5.03 117.98 113.96 3nnk s PHE 125 Ca 0.21 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.40 3nnk s PHE 125 Cb -0.04 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 39.31 3nnk s PHE 125 CO 0.08 -1.43 -0.05 0.99 -0.10 0.00 0.00 175.22 174.72 3nnk s THR 126 N -3.24 3.80 0.26 0.64 2.01 -1.26 -4.86 115.64 112.98 3nnk s THR 126 Ca 0.59 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 3nnk s THR 126 Cb -0.13 -2.61 0.26 0.00 0.01 0.00 0.00 72.50 70.03 3nnk s THR 126 CO 0.53 0.50 1.67 -0.65 -0.69 0.00 0.00 174.62 175.98 3nnk h PRO 127 N 4.87 0.23 -0.82 4.92 0.11 -1.96 -0.42 132.00 138.93 3nnk h PRO 127 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3nnk h PRO 127 Cb 1.17 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3nnk h PRO 127 CO 0.54 0.15 0.46 -0.44 -0.21 0.00 0.00 178.00 178.50 3nnk h ASP 128 N 0.23 1.00 -0.37 -2.05 3.32 -1.98 -2.65 116.42 113.93 3nnk h ASP 128 Ca 0.45 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3nnk h ASP 128 Cb 0.81 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3nnk h ASP 128 CO -0.57 0.79 0.24 1.56 -1.72 0.00 0.00 179.24 179.54 3nnk h GLN 129 N 1.14 0.48 -0.04 3.56 4.20 -1.49 -0.92 115.11 122.04 3nnk h GLN 129 Ca 0.29 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.82 3nnk h GLN 129 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3nnk h GLN 129 CO -0.05 0.32 -0.65 -0.39 -0.67 0.00 0.00 178.83 177.38 3nnk h VAL 130 N 0.49 1.42 -0.18 -0.54 -1.51 -1.41 -2.72 116.25 111.81 3nnk h VAL 130 Ca 0.14 -2.12 -0.04 0.00 -1.23 0.00 0.00 66.70 63.45 3nnk h VAL 130 Cb -0.05 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 3nnk h VAL 130 CO -0.03 0.62 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.82 3nnk h GLU 131 N 0.12 0.33 -0.97 5.19 4.81 -1.27 0.24 114.58 123.04 3nnk h GLU 131 Ca -0.01 -0.12 0.16 0.00 -0.13 0.00 0.00 59.36 59.25 3nnk h GLU 131 Cb 1.17 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.43 3nnk h GLU 131 CO 0.10 0.58 0.58 -0.44 -0.73 0.00 0.00 179.01 179.10 3nnk h ASP 132 N 0.06 0.78 -0.16 1.04 3.45 -1.16 0.29 116.42 120.71 3nnk h ASP 132 Ca 0.05 0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.51 3nnk h ASP 132 Cb 0.45 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3nnk h ASP 132 CO 0.01 0.34 -0.18 0.00 -1.57 0.00 0.00 179.24 177.85 3nnk h ALA 133 N 1.59 0.24 -0.41 3.45 0.00 -1.23 -1.99 119.26 120.91 3nnk h ALA 133 Ca 0.52 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3nnk h ALA 133 Cb 0.70 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3nnk h ALA 133 CO -0.34 0.15 0.20 0.28 0.00 0.00 0.00 179.25 179.55 3nnk h VAL 134 N 0.05 0.97 -0.82 0.00 2.07 0.50 -1.36 116.25 117.66 3nnk h VAL 134 Ca 0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3nnk h VAL 134 Cb 0.72 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3nnk h VAL 134 CO 0.04 0.07 0.51 0.11 0.02 0.00 0.00 177.57 178.33 3nnk h LYS 135 N 0.41 1.09 0.28 1.57 1.57 -0.52 0.70 116.57 121.67 3nnk h LYS 135 Ca 0.17 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3nnk h LYS 135 Cb 0.08 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3nnk h LYS 135 CO -0.12 0.75 -0.13 0.00 -0.57 0.00 0.00 179.45 179.38 3nnk h ARG 136 N 1.11 -0.36 -0.01 3.15 3.08 -0.58 -3.35 114.38 117.43 3nnk h ARG 136 Ca 0.30 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3nnk h ARG 136 Cb -0.08 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3nnk h ARG 136 CO -0.06 -0.17 -0.27 0.44 -1.07 0.00 0.00 179.97 178.84 3nnk n ILE 137 N -5.21 0.00 -3.61 2.04 -0.00 -0.58 -5.05 119.36 106.95 3nnk n ILE 137 Ca -0.10 -0.37 -0.20 0.00 -0.00 0.00 0.00 62.75 62.09 3nnk n ILE 137 Cb 0.20 1.10 0.00 0.00 -0.00 0.00 0.00 39.64 40.94 3nnk n ILE 137 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3nnk n ARG 138 N -0.45 -1.39 -1.55 6.28 3.00 0.24 -4.95 116.66 117.84 3nnk n ARG 138 Ca 0.04 0.89 -0.31 0.00 -0.01 0.00 0.00 57.85 58.46 3nnk n ARG 138 Cb 0.21 -3.37 0.06 0.00 0.00 0.00 0.00 32.46 29.35 3nnk n ARG 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3nnk s PRO 139 N -4.65 2.75 0.02 5.56 0.04 -1.26 -4.95 135.00 132.50 3nnk s PRO 139 Ca 0.07 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 61.98 3nnk s PRO 139 Cb -0.03 -1.97 -0.28 0.00 0.04 0.00 0.00 34.50 32.26 3nnk s PRO 139 CO 0.86 -1.22 0.91 -0.09 0.04 0.00 0.00 177.00 177.50 3nnk h ARG 140 N -0.81 0.26 -5.20 4.56 2.43 -1.76 -3.44 114.38 110.42 3nnk h ARG 140 Ca -0.44 -0.44 -0.57 0.00 -0.81 0.00 0.00 59.98 57.72 3nnk h ARG 140 Cb 1.22 0.17 -0.32 0.00 -0.42 0.00 0.00 29.97 30.62 3nnk h ARG 140 CO 0.57 1.14 -0.84 -0.51 -1.51 0.00 0.00 179.97 178.82 3nnk s LEU 141 N -7.02 1.89 -0.43 3.80 2.01 -1.23 -0.98 118.68 116.72 3nnk s LEU 141 Ca -0.08 -0.36 -0.14 0.00 0.01 0.00 0.00 54.13 53.55 3nnk s LEU 141 Cb 0.07 -0.99 0.04 0.00 0.01 0.00 0.00 46.19 45.32 3nnk s LEU 141 CO 0.86 0.14 0.32 -0.22 1.01 0.00 0.00 176.35 178.46 3nnk s LEU 142 N 0.16 5.27 -0.33 1.79 2.96 0.76 -1.31 118.68 127.96 3nnk s LEU 142 Ca -0.07 -1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 52.63 3nnk s LEU 142 Cb -0.13 -2.15 -0.00 0.00 0.50 0.00 0.00 46.19 44.42 3nnk s LEU 142 CO 0.03 -0.52 0.18 -0.76 -1.32 0.00 0.00 176.35 173.96 3nnk s LEU 143 N 1.64 4.34 0.18 -0.68 1.43 0.42 -1.70 118.68 124.31 3nnk s LEU 143 Ca 0.04 -0.62 0.10 0.00 -1.03 0.00 0.00 54.13 52.61 3nnk s LEU 143 Cb -0.21 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3nnk s LEU 143 CO 0.08 -0.25 -0.20 0.42 0.23 0.00 0.00 176.35 176.62 3nnk s THR 144 N 1.62 2.02 -0.11 5.49 -4.23 -0.66 -3.74 115.64 116.04 3nnk s THR 144 Ca 0.04 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 58.54 3nnk s THR 144 Cb -0.18 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 3nnk s THR 144 CO 0.07 -0.24 0.11 -0.69 -0.54 0.00 0.00 174.62 173.33 3nnk s VAL 145 N -1.89 5.21 -0.04 2.29 1.01 -1.26 -0.01 120.40 125.70 3nnk s VAL 145 Ca 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 3nnk s VAL 145 Cb -0.07 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3nnk s VAL 145 CO 0.08 0.60 -0.03 -0.61 0.00 0.00 0.00 175.10 175.13 3nnk h GLN 146 N 4.96 0.00 -4.73 2.72 4.15 -1.36 -3.41 115.11 117.44 3nnk h GLN 146 Ca -0.54 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.19 3nnk h GLN 146 Cb 1.22 0.00 -0.31 0.00 0.21 0.00 0.00 27.48 28.60 3nnk h GLN 146 CO 0.58 0.00 -0.66 0.20 -1.93 0.00 0.00 178.83 177.02 3nnk s GLY 147 N -2.85 1.79 -0.43 2.39 0.00 -1.26 0.54 107.32 107.50 3nnk s GLY 147 Ca -0.03 -1.75 -0.20 0.00 0.00 0.00 0.00 44.72 42.75 3nnk s GLY 147 CO 0.04 0.73 0.58 -0.35 0.00 0.00 0.00 173.10 174.10 3nnk s ASP 148 N 1.32 6.29 0.51 1.64 -1.08 -0.83 -4.59 116.67 119.93 3nnk s ASP 148 Ca -0.04 -0.41 0.33 0.00 -0.52 0.00 0.00 52.55 51.91 3nnk s ASP 148 Cb -0.20 -2.29 1.46 0.00 -1.46 0.00 0.00 42.92 40.43 3nnk s ASP 148 CO 0.01 -0.71 1.98 0.71 0.52 0.00 0.00 175.17 177.68 3nnk h THR 149 N 5.82 0.00 0.00 1.71 1.35 -1.94 -0.53 112.91 119.32 3nnk h THR 149 Ca -0.26 -0.36 -0.03 0.00 -0.55 0.00 0.00 66.41 65.22 3nnk h THR 149 Cb 1.10 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3nnk h THR 149 CO 0.86 0.00 -0.12 0.77 -0.25 0.00 0.00 175.52 176.78 3nnk h SER 150 N 0.00 0.00 0.00 5.36 4.64 -1.97 -3.23 113.55 118.36 3nnk h SER 150 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nnk h SER 150 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3nnk h SER 150 CO 0.00 0.12 0.00 0.35 -0.87 0.00 0.00 176.83 176.43 3nnk n THR 151 N -3.36 0.00 -1.05 2.95 -2.24 -0.94 -4.96 114.28 104.68 3nnk n THR 151 Ca -0.00 -0.45 -0.02 0.00 -2.27 0.00 0.00 64.05 61.31 3nnk n THR 151 Cb 0.32 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 3nnk n THR 151 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3nnk n THR 152 N -0.76 0.00 -3.21 4.28 -2.24 -0.25 -4.81 114.28 107.29 3nnk n THR 152 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 3nnk n THR 152 Cb 0.00 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.36 3nnk n THR 152 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 153 N -1.65 4.25 -0.28 -0.78 -1.94 -1.19 -0.30 119.30 117.41 3nnk s MET 153 Ca 0.00 0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 54.78 3nnk s MET 153 Cb 0.00 -3.17 0.05 0.00 2.01 0.00 0.00 34.83 33.72 3nnk s MET 153 CO 0.00 0.59 -0.04 -1.17 -0.01 0.00 0.00 175.02 174.39 3nnk s LEU 154 N -1.30 3.68 -0.11 -0.03 1.98 0.18 -1.97 118.68 121.12 3nnk s LEU 154 Ca 0.33 -1.25 -0.30 0.00 -2.89 0.00 0.00 54.13 50.03 3nnk s LEU 154 Cb -0.19 -1.67 -0.03 0.00 0.66 0.00 0.00 46.19 44.97 3nnk s LEU 154 CO 0.21 -0.22 1.28 -1.58 -1.89 0.00 0.00 176.35 174.14 3nnk s GLN 155 N 1.23 4.27 0.20 1.98 2.00 0.19 -4.82 119.66 124.70 3nnk s GLN 155 Ca -0.05 1.72 -0.31 0.00 -2.00 0.00 0.00 55.36 54.72 3nnk s GLN 155 Cb -0.19 -3.70 -0.09 0.00 0.80 0.00 0.00 33.01 29.82 3nnk s GLN 155 CO -0.02 -0.62 1.44 -2.14 -0.50 0.00 0.00 175.29 173.45 3nnk s PRO 156 N 3.04 4.28 -0.00 1.67 0.02 -1.26 -4.82 135.00 137.93 3nnk s PRO 156 Ca 0.57 2.24 0.02 0.00 0.02 0.00 0.00 61.00 63.85 3nnk s PRO 156 Cb -0.24 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.09 3nnk s PRO 156 CO 0.19 -0.45 0.07 1.28 -0.33 0.00 0.00 177.00 177.76 3nnk n LEU 157 N 3.06 0.04 -0.01 -5.54 4.32 -1.26 -4.76 117.00 112.85 3nnk n LEU 157 Ca 0.09 -0.18 -0.09 0.00 -0.02 0.00 0.00 56.01 55.81 3nnk n LEU 157 Cb 0.40 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.18 3nnk n LEU 157 CO 0.60 0.01 0.73 0.00 -1.22 0.00 0.00 177.39 177.51 3nnk h ALA 158 N 0.24 -0.12 0.00 -1.18 0.00 -1.91 -1.75 119.26 114.54 3nnk h ALA 158 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 158 Cb 0.08 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3nnk h ALA 158 CO 0.00 -0.64 0.00 0.39 0.00 0.00 0.00 179.25 179.00 3nnk n GLU 159 N -5.34 0.20 0.07 0.00 1.02 -1.26 -3.25 120.64 112.08 3nnk n GLU 159 Ca -0.02 0.33 -0.07 0.00 -0.02 0.00 0.00 57.16 57.37 3nnk n GLU 159 Cb 0.25 -1.81 -0.09 0.00 -0.02 0.00 0.00 31.44 29.77 3nnk n GLU 159 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3nnk h LEU 160 N 0.00 0.04 -1.40 -4.62 4.07 -1.62 -3.30 115.31 108.48 3nnk h LEU 160 Ca 0.00 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 3nnk h LEU 160 Cb 0.48 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 3nnk h LEU 160 CO 0.00 0.98 -0.20 1.23 -1.08 0.00 0.00 178.44 179.37 3nnk h GLY 161 N 2.73 0.16 1.96 0.83 0.00 -1.50 -2.20 103.07 105.04 3nnk h GLY 161 Ca -0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 3nnk h GLY 161 CO 0.13 0.10 -0.75 0.83 0.00 0.00 0.00 176.54 176.84 3nnk h GLU 162 N 0.14 0.04 -0.41 4.80 4.39 -1.74 -2.36 114.58 119.44 3nnk h GLU 162 Ca 0.03 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 3nnk h GLU 162 Cb 0.44 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3nnk h GLU 162 CO 0.03 0.77 -0.29 0.82 -1.16 0.00 0.00 179.01 179.19 3nnk h ILE 163 N 0.02 1.27 -0.04 3.13 2.04 -1.54 -2.14 117.51 120.25 3nnk h ILE 163 Ca -0.01 -1.44 -0.12 0.00 1.00 0.00 0.00 64.86 64.29 3nnk h ILE 163 Cb 1.33 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3nnk h ILE 163 CO 0.10 0.49 -0.52 0.00 0.00 0.00 0.00 178.15 178.22 3nnk h ARG 165 N 0.09 0.64 -0.32 0.00 3.08 -1.31 0.58 114.38 117.15 3nnk h ARG 165 Ca 0.00 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.63 3nnk h ARG 165 Cb 0.95 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3nnk h ARG 165 CO 0.07 0.89 -0.31 0.00 -1.07 0.00 0.00 179.97 179.56 3nnk h ARG 166 N 0.54 0.68 -0.38 0.04 3.08 -1.23 -3.29 114.38 113.82 3nnk h ARG 166 Ca 0.06 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3nnk h ARG 166 Cb 0.84 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3nnk h ARG 166 CO 0.07 0.90 0.00 0.66 -1.07 0.00 0.00 179.97 180.53 3nnk n TYR 167 N -4.08 0.67 -3.76 3.04 4.01 -1.06 -4.98 117.16 111.00 3nnk n TYR 167 Ca -0.01 -0.58 -0.26 0.00 -0.16 0.00 0.00 57.90 56.90 3nnk n TYR 167 Cb 0.47 -0.10 0.04 0.00 -0.31 0.00 0.00 39.34 39.45 3nnk n TYR 167 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3nnk n ASP 168 N 0.44 -3.80 -4.71 7.72 4.64 -0.70 -4.99 116.55 115.15 3nnk n ASP 168 Ca 0.15 -0.74 -0.35 0.00 -1.38 0.00 0.00 54.79 52.47 3nnk n ASP 168 Cb 0.56 -4.23 -0.09 0.00 -1.04 0.00 0.00 41.12 36.33 3nnk n ASP 168 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3nnk s ALA 169 N -3.42 3.45 0.06 -1.67 0.00 0.11 -4.95 121.76 115.34 3nnk s ALA 169 Ca 0.41 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 3nnk s ALA 169 Cb -0.20 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 3nnk s ALA 169 CO 0.80 0.45 1.17 -0.51 0.00 0.00 0.00 175.76 177.67 3nnk s LEU 170 N -0.47 4.38 -0.31 0.00 1.43 -0.16 -4.58 118.68 118.97 3nnk s LEU 170 Ca 0.10 1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 55.11 3nnk s LEU 170 Cb -0.12 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.55 3nnk s LEU 170 CO 0.02 -0.43 0.08 0.12 0.23 0.00 0.00 176.35 176.37 3nnk s PHE 171 N 0.97 3.19 0.09 0.29 5.36 -1.26 -0.17 117.98 126.45 3nnk s PHE 171 Ca 0.57 -1.21 0.09 0.00 -0.96 0.00 0.00 56.93 55.43 3nnk s PHE 171 Cb -0.29 -2.25 -0.04 0.00 -0.34 0.00 0.00 43.02 40.11 3nnk s PHE 171 CO 0.29 -0.65 -0.22 -0.47 -1.46 0.00 0.00 175.22 172.71 3nnk s TYR 172 N 1.45 2.44 0.02 10.12 6.14 -0.69 0.39 117.35 137.22 3nnk s TYR 172 Ca 0.01 -0.32 0.00 0.00 0.64 0.00 0.00 57.07 57.40 3nnk s TYR 172 Cb -0.18 -1.35 -0.02 0.00 0.42 0.00 0.00 41.96 40.83 3nnk s TYR 172 CO 0.02 0.30 -0.03 -0.08 0.64 0.00 0.00 175.55 176.40 3nnk s THR 173 N -1.01 0.14 -0.35 4.34 -1.32 -0.90 -1.65 115.64 114.88 3nnk s THR 173 Ca 0.15 -0.69 -0.17 0.00 -1.21 0.00 0.00 61.69 59.77 3nnk s THR 173 Cb -0.10 -0.24 -0.00 0.00 -1.51 0.00 0.00 72.50 70.64 3nnk s THR 173 CO 0.06 -0.35 0.48 -0.62 -2.21 0.00 0.00 174.62 171.98 3nnk s ASP 174 N -1.08 6.29 -0.12 8.08 2.15 0.99 -3.03 116.67 129.95 3nnk s ASP 174 Ca -0.11 -0.08 0.14 0.00 0.43 0.00 0.00 52.55 52.93 3nnk s ASP 174 Cb -0.07 -2.25 0.31 0.00 -0.30 0.00 0.00 42.92 40.60 3nnk s ASP 174 CO -0.01 -0.45 1.15 0.00 -0.17 0.00 0.00 175.17 175.70 3nnk n ALA 175 N 5.66 2.70 0.23 3.66 0.00 -0.69 -0.94 120.51 131.14 3nnk n ALA 175 Ca -0.06 -2.58 0.07 0.00 0.00 0.00 0.00 53.44 50.87 3nnk n ALA 175 Cb 0.49 -0.43 0.54 0.00 0.00 0.00 0.00 19.45 20.04 3nnk n ALA 175 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3nnk h THR 176 N 2.28 1.02 0.00 0.00 1.35 -1.86 -1.28 112.91 114.42 3nnk h THR 176 Ca -0.03 -0.69 -0.18 0.00 -0.55 0.00 0.00 66.41 64.97 3nnk h THR 176 Cb 1.18 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 3nnk h THR 176 CO 0.01 0.19 -1.60 0.00 -0.25 0.00 0.00 175.52 173.88 3nnk n ALA 177 N -2.45 1.96 -0.08 6.62 0.00 -1.26 -4.23 120.51 121.07 3nnk n ALA 177 Ca -0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 3nnk n ALA 177 Cb 0.26 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 3nnk n ALA 177 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3nnk n SER 178 N -2.81 1.40 -4.69 0.00 3.41 -1.12 -4.63 113.62 105.18 3nnk n SER 178 Ca -0.12 -0.03 -0.44 0.00 -0.26 0.00 0.00 58.87 58.02 3nnk n SER 178 Cb 0.85 0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 65.36 3nnk n SER 178 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3nnk n LEU 179 N -2.72 3.49 0.00 1.04 7.94 -0.50 -0.18 117.00 126.07 3nnk n LEU 179 Ca -0.29 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.72 3nnk n LEU 179 Cb 0.99 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 43.45 3nnk n LEU 179 CO 0.31 -0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 3nnk n GLY 180 N 3.02 2.48 0.00 -3.96 0.00 -1.26 -4.47 105.19 101.00 3nnk n GLY 180 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3nnk n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 181 N -2.00 0.87 3.10 -0.02 0.00 -0.50 -4.20 105.19 102.44 3nnk n GLY 181 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3nnk n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nnk s ASN 182 N -0.94 0.13 0.31 1.61 0.01 0.75 -4.62 114.94 112.19 3nnk s ASN 182 Ca 0.00 -0.40 -0.30 0.00 -0.71 0.00 0.00 52.86 51.45 3nnk s ASN 182 Cb 0.00 0.20 -0.12 0.00 0.41 0.00 0.00 41.25 41.75 3nnk s ASN 182 CO 0.00 -0.43 1.54 -2.65 -1.51 0.00 0.00 177.10 174.05 3nnk n PRO 183 N 1.12 2.63 -3.35 -0.60 -0.02 -1.26 -4.57 135.00 128.93 3nnk n PRO 183 Ca -0.21 0.93 -0.11 0.00 -2.02 0.00 0.00 63.50 62.09 3nnk n PRO 183 Cb 0.57 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 3nnk n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3nnk s LEU 184 N -0.84 -0.57 -0.91 2.45 2.96 -1.26 -4.99 118.68 115.53 3nnk s LEU 184 Ca 0.61 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 54.22 3nnk s LEU 184 Cb -0.50 0.94 0.23 0.00 0.50 0.00 0.00 46.19 47.36 3nnk s LEU 184 CO 0.53 -0.34 0.85 -1.61 -1.32 0.00 0.00 176.35 174.46 3nnk s GLU 185 N 2.49 3.67 0.17 1.98 0.41 -1.26 -4.48 118.70 121.68 3nnk s GLU 185 Ca 0.11 -2.78 -0.19 0.00 -0.41 0.00 0.00 54.97 51.69 3nnk s GLU 185 Cb -0.14 -4.36 0.08 0.00 -1.78 0.00 0.00 34.13 27.93 3nnk s GLU 185 CO -0.24 -1.26 1.64 1.15 -0.49 0.00 0.00 175.26 176.06 3nnk h THR 186 N 4.41 0.45 0.09 3.63 2.02 -1.56 0.13 112.91 122.08 3nnk h THR 186 Ca 0.12 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.16 3nnk h THR 186 Cb 0.96 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3nnk h THR 186 CO 0.84 0.00 -0.67 0.44 0.37 0.00 0.00 175.52 176.49 3nnk h ASP 187 N -0.13 0.31 -0.92 4.18 5.19 -1.84 -0.74 116.42 122.47 3nnk h ASP 187 Ca 0.18 -0.94 0.03 0.00 -0.62 0.00 0.00 57.03 55.69 3nnk h ASP 187 Cb 0.41 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 3nnk h ASP 187 CO -0.45 1.31 0.61 -0.37 -3.12 0.00 0.00 179.24 177.22 3nnk h VAL 188 N -0.56 1.17 -0.01 -1.35 -1.51 -1.83 -1.87 116.25 110.28 3nnk h VAL 188 Ca -0.13 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3nnk h VAL 188 Cb 1.47 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 3nnk h VAL 188 CO 0.08 0.21 -0.03 0.79 -1.23 0.00 0.00 177.57 177.40 3nnk n TRP 189 N -4.44 0.00 -1.41 5.19 8.01 0.46 -4.93 117.44 120.32 3nnk n TRP 189 Ca 0.12 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.24 3nnk n TRP 189 Cb 0.09 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.31 29.32 3nnk n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3nnk n GLY 190 N 1.14 0.72 3.72 6.99 0.00 -0.70 -3.74 105.19 113.31 3nnk n GLY 190 Ca 0.20 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3nnk n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nnk s LEU 191 N -1.65 4.37 0.04 0.99 1.43 -0.30 -4.76 118.68 118.81 3nnk s LEU 191 Ca 0.00 2.25 0.05 0.00 -1.03 0.00 0.00 54.13 55.41 3nnk s LEU 191 Cb 0.00 -3.59 -0.24 0.00 0.03 0.00 0.00 46.19 42.40 3nnk s LEU 191 CO 0.00 -0.59 0.99 0.44 0.23 0.00 0.00 176.35 177.41 3nnk h ASP 192 N 6.67 0.12 -3.74 2.29 3.32 -0.37 -3.43 116.42 121.28 3nnk h ASP 192 Ca -0.42 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.33 3nnk h ASP 192 Cb 1.21 -0.04 -0.25 0.00 0.22 0.00 0.00 39.33 40.47 3nnk h ASP 192 CO 0.84 1.14 -0.30 0.00 -1.72 0.00 0.00 179.24 179.20 3nnk s ALA 193 N -2.65 -0.90 -0.03 3.45 0.00 -0.90 0.46 121.76 121.19 3nnk s ALA 193 Ca -0.04 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.03 3nnk s ALA 193 Cb 0.08 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.57 3nnk s ALA 193 CO 0.83 -0.19 -0.03 0.08 0.00 0.00 0.00 175.76 176.45 3nnk s VAL 194 N 0.43 0.39 0.17 0.00 1.01 -0.57 -2.13 120.40 119.71 3nnk s VAL 194 Ca -0.02 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 61.95 3nnk s VAL 194 Cb -0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3nnk s VAL 194 CO -0.02 0.16 -0.10 -0.94 0.00 0.00 0.00 175.10 174.20 3nnk s SER 195 N 0.57 4.23 0.00 3.32 1.04 -1.17 -0.86 113.70 120.83 3nnk s SER 195 Ca -0.07 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3nnk s SER 195 Cb -0.10 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.31 3nnk s SER 195 CO -0.00 0.11 0.00 0.00 0.98 0.00 0.00 173.24 174.33 3nnk n ALA 196 N 0.14 0.00 -2.92 5.32 0.00 0.28 -1.70 120.51 121.63 3nnk n ALA 196 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 3nnk n ALA 196 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 3nnk n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nnk s GLY 197 N -0.99 0.18 -0.09 0.00 0.00 -1.26 -3.82 107.32 101.35 3nnk s GLY 197 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 44.72 44.05 3nnk s GLY 197 CO 0.00 -0.59 0.52 -0.33 0.00 0.00 0.00 173.10 172.70 3nnk h MET 198 N 2.43 0.31 -1.84 2.90 0.00 -1.81 -3.43 114.93 113.50 3nnk h MET 198 Ca -0.31 -0.54 0.00 0.00 0.00 0.00 0.00 59.70 58.85 3nnk h MET 198 Cb 1.24 0.20 0.00 0.00 0.00 0.00 0.00 31.60 33.04 3nnk h MET 198 CO 0.45 1.26 0.00 0.00 0.00 0.00 0.00 176.91 178.62 3nnk n GLN 199 N -3.62 0.68 0.00 1.72 0.00 -1.20 -1.72 117.38 113.23 3nnk n GLN 199 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.72 3nnk n GLN 199 Cb 1.03 -1.16 0.00 0.00 0.00 0.00 0.00 30.24 30.11 3nnk n GLN 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3nnk h LEU 202 N 0.00 0.20 -2.77 0.00 4.07 -1.79 -3.33 115.31 111.69 3nnk h LEU 202 Ca 0.00 -0.39 -0.10 0.00 0.08 0.00 0.00 57.88 57.47 3nnk h LEU 202 Cb 0.17 -0.07 0.08 0.00 1.08 0.00 0.00 40.66 41.93 3nnk h LEU 202 CO 0.00 1.35 -0.33 0.61 -1.08 0.00 0.00 178.44 178.98 3nnk n GLY 203 N 1.70 0.02 0.00 0.83 0.00 -0.70 -4.74 105.19 102.30 3nnk n GLY 203 Ca -0.21 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -1.38 0.37 3.83 -0.02 0.00 -1.26 -1.27 105.19 105.45 3nnk n GLY 204 Ca -0.03 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 3nnk n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 205 N 0.00 4.15 0.63 1.61 0.04 -1.26 -3.26 135.00 136.91 3nnk s PRO 205 Ca 0.00 0.80 -0.17 0.00 0.04 0.00 0.00 61.00 61.67 3nnk s PRO 205 Cb 0.00 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 3nnk s PRO 205 CO 0.00 0.26 1.17 -1.54 0.04 0.00 0.00 177.00 176.94 3nnk s SER 206 N -1.96 5.04 0.00 6.66 1.04 -1.26 -4.26 113.70 118.96 3nnk s SER 206 Ca 0.49 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.18 3nnk s SER 206 Cb -0.13 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3nnk s SER 206 CO 0.19 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.33 3nnk n GLY 207 N 0.20 -0.08 2.98 7.32 0.00 -1.26 -4.96 105.19 109.40 3nnk n GLY 207 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 3nnk n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nnk s THR 208 N -0.04 0.18 -0.26 2.61 2.01 -0.74 -1.28 115.64 118.12 3nnk s THR 208 Ca 0.00 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.15 3nnk s THR 208 Cb 0.00 -0.30 0.07 0.00 0.01 0.00 0.00 72.50 72.28 3nnk s THR 208 CO 0.00 -0.43 -0.00 -0.55 -0.69 0.00 0.00 174.62 172.95 3nnk s SER 209 N -1.34 3.95 0.07 3.53 0.15 0.55 -3.93 113.70 116.69 3nnk s SER 209 Ca -0.13 -1.39 -0.31 0.00 0.70 0.00 0.00 55.95 54.82 3nnk s SER 209 Cb -0.09 -1.14 -0.07 0.00 -1.71 0.00 0.00 66.02 63.01 3nnk s SER 209 CO -0.01 -0.30 1.44 -2.84 1.20 0.00 0.00 173.24 172.73 3nnk s PRO 210 N 1.40 4.29 0.22 5.44 0.02 -1.25 0.04 135.00 145.16 3nnk s PRO 210 Ca 0.00 2.09 0.07 0.00 0.02 0.00 0.00 61.00 63.18 3nnk s PRO 210 Cb -0.18 -3.40 -0.05 0.00 0.02 0.00 0.00 34.50 30.89 3nnk s PRO 210 CO -0.10 -0.53 -0.12 0.96 -0.33 0.00 0.00 177.00 176.88 3nnk s ILE 211 N 1.73 1.69 -0.08 2.83 -4.36 -0.17 -0.56 121.20 122.27 3nnk s ILE 211 Ca 0.66 -2.18 -0.07 0.00 -0.26 0.00 0.00 60.65 58.79 3nnk s ILE 211 Cb -0.36 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.22 3nnk s ILE 211 CO 0.29 -0.51 0.21 0.28 0.24 0.00 0.00 174.94 175.45 3nnk s THR 212 N -3.00 0.00 -0.09 8.37 -1.32 -0.04 -1.85 115.64 117.70 3nnk s THR 212 Ca 0.24 -0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.73 3nnk s THR 212 Cb 0.01 -0.30 0.02 0.00 -1.51 0.00 0.00 72.50 70.71 3nnk s THR 212 CO 0.08 -0.00 -0.13 -0.76 -2.21 0.00 0.00 174.62 171.60 3nnk s LEU 213 N 0.10 1.60 0.68 9.08 1.43 -0.64 -1.51 118.68 129.42 3nnk s LEU 213 Ca -0.00 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 3nnk s LEU 213 Cb -0.02 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.27 3nnk s LEU 213 CO 0.00 0.00 1.12 -0.94 0.23 0.00 0.00 176.35 176.77 3nnk s SER 214 N 0.97 4.90 0.60 2.29 1.04 0.17 -4.34 113.70 119.33 3nnk s SER 214 Ca -0.08 2.05 0.29 0.00 0.48 0.00 0.00 55.95 58.68 3nnk s SER 214 Cb -0.15 -2.56 1.50 0.00 0.10 0.00 0.00 66.02 64.92 3nnk s SER 214 CO -0.00 -1.77 1.91 0.00 0.98 0.00 0.00 173.24 174.35 3nnk h ALA 215 N -0.11 2.03 0.01 5.32 0.00 -1.96 0.95 119.26 125.50 3nnk h ALA 215 Ca -0.47 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 3nnk h ALA 215 Cb 1.25 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.09 3nnk h ALA 215 CO 0.53 -0.63 -0.98 -0.09 0.00 0.00 0.00 179.25 178.08 3nnk h ARG 216 N 0.00 0.65 -0.17 0.00 2.43 -1.93 -3.09 114.38 112.28 3nnk h ARG 216 Ca 0.17 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3nnk h ARG 216 Cb 1.06 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3nnk h ARG 216 CO -0.00 1.30 0.10 0.52 -1.51 0.00 0.00 179.97 180.38 3nnk h MET 217 N 0.30 0.22 0.00 0.20 2.86 -1.10 -2.29 114.93 115.12 3nnk h MET 217 Ca -0.13 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 3nnk h MET 217 Cb 1.65 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 3nnk h MET 217 CO 0.19 0.17 -0.24 1.05 1.06 0.00 0.00 176.91 179.14 3nnk h GLU 218 N 0.21 0.00 -0.15 1.72 4.11 -1.54 0.40 114.58 119.33 3nnk h GLU 218 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 3nnk h GLU 218 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3nnk h GLU 218 CO -0.01 0.24 0.05 1.49 0.07 0.00 0.00 179.01 180.85 3nnk h GLU 219 N 0.00 0.23 -0.79 1.06 4.81 -1.43 0.07 114.58 118.53 3nnk h GLU 219 Ca -0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3nnk h GLU 219 Cb 0.44 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3nnk h GLU 219 CO 0.03 0.34 0.35 0.00 -0.73 0.00 0.00 179.01 179.00 3nnk h ALA 220 N 0.88 1.13 -0.32 2.92 0.00 -0.76 -2.71 119.26 120.40 3nnk h ALA 220 Ca 0.05 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3nnk h ALA 220 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3nnk h ALA 220 CO -0.00 0.64 -0.42 0.82 0.00 0.00 0.00 179.25 180.29 3nnk h ILE 221 N 1.13 1.28 0.00 0.00 2.04 -0.87 -3.13 117.51 117.97 3nnk h ILE 221 Ca 0.27 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 3nnk h ILE 221 Cb 0.16 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3nnk h ILE 221 CO -0.03 0.52 -0.10 0.03 0.00 0.00 0.00 178.15 178.57 3nnk h ARG 222 N 0.65 0.00 0.00 2.37 -0.00 -0.80 -2.07 114.38 114.52 3nnk h ARG 222 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 3nnk h ARG 222 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.96 3nnk h ARG 222 CO 0.09 0.10 0.00 0.54 0.00 0.00 0.00 179.97 180.70 3nnk n ARG 223 N -3.33 0.16 -0.14 0.04 1.74 -1.04 -2.27 116.66 111.82 3nnk n ARG 223 Ca -0.01 0.42 0.11 0.00 -0.77 0.00 0.00 57.85 57.61 3nnk n ARG 223 Cb 0.30 -1.82 0.28 0.00 -1.02 0.00 0.00 32.46 30.19 3nnk n ARG 223 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3nnk n ARG 224 N -2.13 2.15 -1.22 5.56 5.12 -0.78 -2.08 116.66 123.29 3nnk n ARG 224 Ca 0.02 -1.74 -0.47 0.00 -1.93 0.00 0.00 57.85 53.72 3nnk n ARG 224 Cb 0.20 -1.45 -0.07 0.00 -1.16 0.00 0.00 32.46 29.97 3nnk n ARG 224 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3nnk n LYS 225 N 0.96 0.00 -3.15 5.56 4.01 -0.96 -4.24 118.16 120.34 3nnk n LYS 225 Ca 0.18 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 58.02 3nnk n LYS 225 Cb 0.48 -1.11 -0.00 0.00 -0.51 0.00 0.00 35.03 33.88 3nnk n LYS 225 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3nnk s VAL 227 N 2.89 4.66 0.47 0.00 1.01 -1.26 -4.92 120.40 123.25 3nnk s VAL 227 Ca 0.17 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.17 3nnk s VAL 227 Cb -0.07 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 3nnk s VAL 227 CO -0.23 0.45 1.22 1.21 0.00 0.00 0.00 175.10 177.76 3nnk n GLU 228 N 1.41 1.70 0.17 2.72 2.13 -1.26 -4.80 120.64 122.70 3nnk n GLU 228 Ca -0.07 0.61 0.13 0.00 0.66 0.00 0.00 57.16 58.49 3nnk n GLU 228 Cb 0.51 -2.36 0.49 0.00 0.27 0.00 0.00 31.44 30.34 3nnk n GLU 228 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3nnk h GLU 229 N 1.70 0.00 -0.46 5.31 -0.00 -2.02 0.10 114.58 119.22 3nnk h GLU 229 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 3nnk h GLU 229 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.06 3nnk h GLU 229 CO 0.58 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.00 3nnk n GLY 230 N 0.39 0.40 0.00 1.06 0.00 -1.26 -4.97 105.19 100.81 3nnk n GLY 230 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3nnk n GLY 230 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3nnk n ARG 232 N -0.12 0.00 -1.87 1.61 0.63 0.36 -5.15 116.66 112.12 3nnk n ARG 232 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 3nnk n ARG 232 Cb 0.11 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.14 3nnk n ARG 232 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3nnk n THR 233 N 1.03 0.00 0.18 5.15 -2.24 -1.26 -4.98 114.28 112.15 3nnk n THR 233 Ca 0.00 -1.04 0.06 0.00 -2.27 0.00 0.00 64.05 60.81 3nnk n THR 233 Cb 0.00 -1.25 0.23 0.00 -2.10 0.00 0.00 70.33 67.22 3nnk n THR 233 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3nnk n ASP 234 N -3.21 3.21 -0.95 3.42 10.43 -1.26 -3.85 116.55 124.34 3nnk n ASP 234 Ca 0.13 -2.26 0.12 0.00 2.57 0.00 0.00 54.79 55.35 3nnk n ASP 234 Cb 0.45 -0.45 0.19 0.00 1.84 0.00 0.00 41.12 43.15 3nnk n ASP 234 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3nnk n ALA 235 N 0.68 2.46 -3.55 2.24 0.00 -1.26 -4.90 120.51 116.18 3nnk n ALA 235 Ca 0.17 -0.74 -0.30 0.00 0.00 0.00 0.00 53.44 52.56 3nnk n ALA 235 Cb 0.60 -0.88 -0.17 0.00 0.00 0.00 0.00 19.45 19.01 3nnk n ALA 235 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3nnk s HIS 236 N -1.84 2.26 0.05 0.00 3.76 -1.25 -5.13 115.29 113.13 3nnk s HIS 236 Ca 0.32 -1.04 0.07 0.00 -0.15 0.00 0.00 55.06 54.26 3nnk s HIS 236 Cb 0.21 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 32.30 3nnk s HIS 236 CO 0.31 -0.49 -0.20 -0.98 -0.85 0.00 0.00 174.74 172.53 3nnk s ARG 237 N 0.77 1.30 0.94 1.40 1.70 -1.26 -4.93 118.95 118.86 3nnk s ARG 237 Ca -0.10 -0.93 -0.11 0.00 -0.47 0.00 0.00 55.73 54.12 3nnk s ARG 237 Cb -0.16 -1.41 0.16 0.00 -0.57 0.00 0.00 34.95 32.97 3nnk s ARG 237 CO 0.01 0.36 1.10 -0.51 -1.08 0.00 0.00 175.30 175.17 3nnk s ASP 238 N -1.23 2.91 0.50 -2.89 1.11 -1.26 -4.82 116.67 110.99 3nnk s ASP 238 Ca 0.06 1.82 -0.02 0.00 0.18 0.00 0.00 52.55 54.59 3nnk s ASP 238 Cb -0.09 -2.41 -0.00 0.00 1.07 0.00 0.00 42.92 41.49 3nnk s ASP 238 CO 0.02 -3.05 0.75 -0.83 1.18 0.00 0.00 175.17 173.25 3nnk s GLY 239 N -2.95 1.57 0.34 0.21 0.00 -0.46 -4.90 107.32 101.13 3nnk s GLY 239 Ca 0.65 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 44.52 3nnk s GLY 239 CO 0.59 -0.69 1.89 1.29 0.00 0.00 0.00 173.10 176.18 3nnk h ASP 240 N 0.20 0.51 -3.20 1.64 2.03 -1.90 -3.43 116.42 112.26 3nnk h ASP 240 Ca -0.46 -0.09 -0.48 0.00 -0.73 0.00 0.00 57.03 55.27 3nnk h ASP 240 Cb 1.25 -0.13 0.03 0.00 -0.83 0.00 0.00 39.33 39.65 3nnk h ASP 240 CO 0.59 0.55 -0.01 -1.61 -1.03 0.00 0.00 179.24 177.73 3nnk s GLU 241 N -5.04 3.38 1.10 4.15 2.02 -0.88 -5.08 118.70 118.35 3nnk s GLU 241 Ca -0.08 -0.10 -0.12 0.00 0.02 0.00 0.00 54.97 54.69 3nnk s GLU 241 Cb 0.16 -2.48 0.25 0.00 0.10 0.00 0.00 34.13 32.15 3nnk s GLU 241 CO 0.76 -0.16 1.06 -1.83 0.02 0.00 0.00 175.26 175.11 3nnk s GLU 242 N -4.61 -0.40 0.71 1.61 -1.05 -1.26 -4.44 118.70 109.27 3nnk s GLU 242 Ca 0.46 0.98 -0.11 0.00 -0.15 0.00 0.00 54.97 56.15 3nnk s GLU 242 Cb -0.10 -1.60 0.02 0.00 -0.44 0.00 0.00 34.13 32.00 3nnk s GLU 242 CO 0.41 -3.42 1.07 0.00 0.95 0.00 0.00 175.26 174.27 3nnk s MET 243 N -4.54 2.81 -0.00 -4.83 0.23 -1.26 -4.45 119.30 107.25 3nnk s MET 243 Ca 0.68 0.95 -0.30 0.00 -1.03 0.00 0.00 55.69 55.99 3nnk s MET 243 Cb -0.24 -1.98 -0.04 0.00 -1.53 0.00 0.00 34.83 31.04 3nnk s MET 243 CO 0.63 -1.19 1.16 0.42 -2.03 0.00 0.00 175.02 174.00 3nnk s ILE 244 N -3.04 4.28 -1.56 3.16 1.01 -1.26 -4.93 121.20 118.86 3nnk s ILE 244 Ca 0.59 1.62 -0.09 0.00 0.00 0.00 0.00 60.65 62.76 3nnk s ILE 244 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3nnk s ILE 244 CO 0.55 0.07 2.82 -1.22 0.00 0.00 0.00 174.94 177.16 3nnk n TYR 245 N 4.49 2.50 -3.63 3.97 4.01 -1.26 -4.69 117.16 122.56 3nnk n TYR 245 Ca 0.09 -3.04 -0.05 0.00 -0.16 0.00 0.00 57.90 54.75 3nnk n TYR 245 Cb 0.47 -2.37 -0.05 0.00 -0.31 0.00 0.00 39.34 37.08 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk s SER 246 N 1.84 -0.16 -0.21 7.72 0.15 -1.26 -5.06 113.70 116.73 3nnk s SER 246 Ca 0.66 0.21 -0.18 0.00 0.70 0.00 0.00 55.95 57.34 3nnk s SER 246 Cb 0.18 0.18 -0.14 0.00 -1.71 0.00 0.00 66.02 64.53 3nnk s SER 246 CO -0.07 -0.12 0.00 -3.20 1.20 0.00 0.00 173.24 171.06 3nnk n ASN 247 N 0.89 1.87 0.03 5.45 5.15 -1.26 -4.06 115.26 123.34 3nnk n ASN 247 Ca -0.05 0.45 -0.03 0.00 -0.60 0.00 0.00 54.58 54.35 3nnk n ASN 247 Cb 0.58 -0.91 0.23 0.00 -0.53 0.00 0.00 39.78 39.15 3nnk n ASN 247 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3nnk h TYR 248 N -1.00 0.49 -0.65 1.20 3.20 -1.98 -2.97 116.97 115.27 3nnk h TYR 248 Ca -0.32 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3nnk h TYR 248 Cb 1.18 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.33 3nnk h TYR 248 CO -0.03 0.65 0.00 1.19 -1.64 0.00 0.00 178.16 178.33 3nnk n PHE 249 N -4.14 1.62 -2.53 -3.82 3.72 -1.26 -4.86 117.46 106.20 3nnk n PHE 249 Ca -0.00 -0.63 -0.41 0.00 -0.05 0.00 0.00 57.45 56.36 3nnk n PHE 249 Cb 0.39 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3nnk n PHE 249 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3nnk s ASP 250 N -0.88 6.20 0.56 4.37 -1.08 -1.12 -4.62 116.67 120.09 3nnk s ASP 250 Ca 0.53 -0.68 0.34 0.00 -0.52 0.00 0.00 52.55 52.21 3nnk s ASP 250 Cb 0.35 -2.56 1.64 0.00 -1.46 0.00 0.00 42.92 40.89 3nnk s ASP 250 CO 0.24 -1.79 2.10 -0.07 0.52 0.00 0.00 175.17 176.17 3nnk h LEU 251 N 13.18 0.00 -0.55 -1.34 3.38 -1.89 -0.73 115.31 127.35 3nnk h LEU 251 Ca -0.15 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3nnk h LEU 251 Cb 1.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 3nnk h LEU 251 CO 1.32 0.06 0.29 1.23 0.09 0.00 0.00 178.44 181.43 3nnk h GLY 252 N 1.10 0.79 1.96 0.83 0.00 -1.89 0.99 103.07 106.86 3nnk h GLY 252 Ca -0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 3nnk h GLY 252 CO 0.01 0.13 -0.55 -0.33 0.00 0.00 0.00 176.54 175.80 3nnk h MET 253 N 0.56 0.00 -0.10 4.80 2.86 -1.54 -3.03 114.93 118.48 3nnk h MET 253 Ca 0.24 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.69 3nnk h MET 253 Cb 0.14 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3nnk h MET 253 CO -0.16 0.50 -0.72 0.28 1.06 0.00 0.00 176.91 177.87 3nnk h VAL 254 N 0.00 1.35 -0.10 -2.22 2.07 -0.98 -2.93 116.25 113.44 3nnk h VAL 254 Ca -0.01 -2.07 -0.11 0.00 0.82 0.00 0.00 66.70 65.33 3nnk h VAL 254 Cb 1.40 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 3nnk h VAL 254 CO 0.07 0.63 -0.42 0.24 0.02 0.00 0.00 177.57 178.11 3nnk h MET 255 N 0.34 0.22 0.00 1.57 2.86 -0.82 -2.61 114.93 116.49 3nnk h MET 255 Ca -0.03 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3nnk h MET 255 Cb 1.30 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 3nnk h MET 255 CO 0.13 0.60 0.00 -0.25 1.06 0.00 0.00 176.91 178.45 3nnk n ASP 256 N -4.02 0.69 0.02 1.22 8.00 -1.15 -1.54 116.55 119.76 3nnk n ASP 256 Ca -0.02 0.59 -0.13 0.00 0.71 0.00 0.00 54.79 55.94 3nnk n ASP 256 Cb 0.48 -0.76 -0.14 0.00 -0.02 0.00 0.00 41.12 40.68 3nnk n ASP 256 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3nnk h TYR 257 N 0.00 0.22 0.00 1.24 3.20 -1.28 0.04 116.97 120.38 3nnk h TYR 257 Ca 0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3nnk h TYR 257 Cb 0.62 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3nnk h TYR 257 CO 0.00 1.24 -1.09 0.91 -1.64 0.00 0.00 178.16 177.58 3nnk n TRP 258 N -3.28 0.38 -1.94 -3.82 7.02 -1.02 -4.33 117.44 110.46 3nnk n TRP 258 Ca -0.17 0.11 -0.20 0.00 -1.02 0.00 0.00 57.50 56.22 3nnk n TRP 258 Cb 1.04 -0.54 0.13 0.00 -2.42 0.00 0.00 31.31 29.51 3nnk n TRP 258 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3nnk n GLY 259 N 1.32 -0.75 0.40 6.99 0.00 -0.59 -4.90 105.19 107.66 3nnk n GLY 259 Ca 0.01 -1.80 0.22 0.00 0.00 0.00 0.00 46.02 44.45 3nnk n GLY 259 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 260 N 0.00 0.00 -0.09 1.61 0.13 -1.88 -2.56 132.00 129.21 3nnk h PRO 260 Ca -0.29 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.70 3nnk h PRO 260 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3nnk h PRO 260 CO 0.23 0.00 -0.54 0.93 -0.23 0.00 0.00 178.00 178.39 3nnk h GLU 261 N 0.00 0.25 -3.69 0.86 3.07 -1.93 -3.47 114.58 109.68 3nnk h GLU 261 Ca 0.24 -0.16 -0.41 0.00 -0.50 0.00 0.00 59.36 58.53 3nnk h GLU 261 Cb 1.16 0.02 0.02 0.00 -0.84 0.00 0.00 28.75 29.10 3nnk h GLU 261 CO -0.00 0.73 -0.57 0.54 -1.40 0.00 0.00 179.01 178.31 3nnk n ARG 262 N -3.92 -3.18 -1.69 2.33 5.12 -0.97 -4.92 116.66 109.43 3nnk n ARG 262 Ca -0.02 0.97 -0.44 0.00 -1.93 0.00 0.00 57.85 56.43 3nnk n ARG 262 Cb 0.57 -5.73 -0.04 0.00 -1.16 0.00 0.00 32.46 26.10 3nnk n ARG 262 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3nnk n LEU 263 N -3.49 3.58 -4.56 0.55 -0.00 -0.03 -4.87 117.00 108.18 3nnk n LEU 263 Ca -0.19 1.06 -0.40 0.00 -0.00 0.00 0.00 56.01 56.48 3nnk n LEU 263 Cb 0.66 -1.50 -0.03 0.00 -0.00 0.00 0.00 43.42 42.55 3nnk n LEU 263 CO 0.38 -0.04 1.47 0.21 -0.00 0.00 0.00 177.39 179.41 3nnk s ASN 264 N 1.36 5.60 -0.14 1.96 3.84 -1.26 -4.00 114.94 122.30 3nnk s ASN 264 Ca 0.78 0.28 -0.01 0.00 0.21 0.00 0.00 52.86 54.12 3nnk s ASN 264 Cb -0.59 -2.54 -0.08 0.00 -0.55 0.00 0.00 41.25 37.50 3nnk s ASN 264 CO 0.36 -2.13 -0.14 1.57 -2.79 0.00 0.00 177.10 173.98 3nnk n HIS 265 N 11.49 0.00 -3.48 0.43 -0.00 -1.26 -5.07 115.22 117.33 3nnk n HIS 265 Ca 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.77 3nnk n HIS 265 Cb 0.51 -0.51 -0.03 0.00 -0.00 0.00 0.00 29.99 29.95 3nnk n HIS 265 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 3nnk s HIS 266 N -2.27 -0.49 -0.56 1.57 -3.43 -1.26 -5.02 115.29 103.83 3nnk s HIS 266 Ca -0.19 0.48 -0.28 0.00 -0.80 0.00 0.00 55.06 54.27 3nnk s HIS 266 Cb 0.06 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.72 3nnk s HIS 266 CO 0.29 -0.66 1.53 0.99 -2.00 0.00 0.00 174.74 174.89 3nnk s THR 267 N -2.80 3.67 0.18 -5.38 2.01 -1.26 -4.95 115.64 107.10 3nnk s THR 267 Ca -0.00 0.54 -0.33 0.00 0.31 0.00 0.00 61.69 62.21 3nnk s THR 267 Cb -0.01 -4.30 -0.14 0.00 0.01 0.00 0.00 72.50 68.06 3nnk s THR 267 CO -0.06 -1.10 1.42 1.21 -0.69 0.00 0.00 174.62 175.41 3nnk n GLU 268 N 8.79 1.81 -1.72 4.92 4.07 -1.26 -4.80 120.64 132.46 3nnk n GLU 268 Ca 0.14 0.65 -0.24 0.00 -0.06 0.00 0.00 57.16 57.65 3nnk n GLU 268 Cb 0.50 -2.32 -0.05 0.00 -0.06 0.00 0.00 31.44 29.50 3nnk n GLU 268 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3nnk s ALA 269 N 0.36 1.28 0.12 4.31 0.00 -1.26 -4.84 121.76 121.73 3nnk s ALA 269 Ca 0.75 -0.73 -0.27 0.00 0.00 0.00 0.00 51.96 51.71 3nnk s ALA 269 Cb -0.74 -4.49 -0.06 0.00 0.00 0.00 0.00 23.12 17.83 3nnk s ALA 269 CO 0.45 -5.12 1.62 1.15 0.00 0.00 0.00 175.76 173.86 3nnk h THR 270 N 7.51 0.32 -0.46 0.00 2.02 -1.97 0.23 112.91 120.56 3nnk h THR 270 Ca -0.07 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 3nnk h THR 270 Cb 1.09 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3nnk h THR 270 CO 1.11 0.00 -0.01 0.74 0.37 0.00 0.00 175.52 177.73 3nnk h THR 271 N -0.48 1.26 -0.59 3.16 2.02 -1.91 -2.16 112.91 114.20 3nnk h THR 271 Ca 0.05 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3nnk h THR 271 Cb 0.55 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 3nnk h THR 271 CO -0.24 0.37 0.38 0.00 0.37 0.00 0.00 175.52 176.40 3nnk h ALA 272 N 0.91 1.56 -0.45 6.16 0.00 -1.90 -1.29 119.26 124.25 3nnk h ALA 272 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3nnk h ALA 272 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3nnk h ALA 272 CO 0.03 0.40 0.10 1.25 0.00 0.00 0.00 179.25 181.03 3nnk h LEU 273 N 0.81 0.68 -0.50 0.00 6.46 -0.56 0.18 115.31 122.37 3nnk h LEU 273 Ca 0.22 -0.24 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 3nnk h LEU 273 Cb -0.08 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.63 3nnk h LEU 273 CO -0.05 0.74 0.26 -0.26 -0.62 0.00 0.00 178.44 178.51 3nnk h PHE 274 N 0.59 0.48 -0.31 1.25 0.04 -0.87 0.18 116.94 118.30 3nnk h PHE 274 Ca 0.14 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3nnk h PHE 274 Cb 0.33 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 3nnk h PHE 274 CO 0.02 0.24 0.14 0.78 -0.60 0.00 0.00 178.31 178.89 3nnk h GLY 275 N 0.51 0.48 1.23 -1.45 0.00 -1.01 -2.54 103.07 100.29 3nnk h GLY 275 Ca 0.22 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3nnk h GLY 275 CO -0.15 0.23 0.12 0.00 0.00 0.00 0.00 176.54 176.75 3nnk h ALA 276 N 1.00 1.08 -0.25 3.60 0.00 -0.33 -2.56 119.26 121.80 3nnk h ALA 276 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 276 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3nnk h ALA 276 CO -0.01 0.60 0.10 -0.09 0.00 0.00 0.00 179.25 179.85 3nnk h ARG 277 N 0.91 0.37 -0.42 0.00 2.43 -0.58 -2.98 114.38 114.11 3nnk h ARG 277 Ca 0.19 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3nnk h ARG 277 Cb 0.36 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3nnk h ARG 277 CO 0.00 0.42 0.06 0.93 -1.51 0.00 0.00 179.97 179.87 3nnk h GLU 278 N 0.25 0.65 0.27 0.20 4.39 -1.35 -0.31 114.58 118.67 3nnk h GLU 278 Ca 0.08 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.66 3nnk h GLU 278 Cb 0.18 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3nnk h GLU 278 CO -0.01 0.63 -0.35 0.00 -1.16 0.00 0.00 179.01 178.12 3nnk h ALA 280 N -0.15 0.84 -0.53 0.00 0.00 -1.35 -2.25 119.26 115.81 3nnk h ALA 280 Ca -0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 280 Cb 0.64 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3nnk h ALA 280 CO -0.12 0.46 0.28 -0.09 0.00 0.00 0.00 179.25 179.79 3nnk h ARG 281 N 0.91 0.53 -0.05 0.00 2.43 -0.92 -1.86 114.38 115.41 3nnk h ARG 281 Ca 0.21 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 3nnk h ARG 281 Cb 0.21 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3nnk h ARG 281 CO -0.02 0.35 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.22 3nnk h LEU 282 N 0.55 0.14 -0.18 3.80 3.38 -0.99 -1.58 115.31 120.43 3nnk h LEU 282 Ca 0.23 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3nnk h LEU 282 Cb 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3nnk h LEU 282 CO -0.15 0.62 -0.46 0.40 0.09 0.00 0.00 178.44 178.94 3nnk h ILE 283 N 0.10 1.33 0.00 1.22 2.04 -0.97 -2.33 117.51 118.91 3nnk h ILE 283 Ca 0.00 -1.70 -0.09 0.00 1.00 0.00 0.00 64.86 64.06 3nnk h ILE 283 Cb 0.92 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 3nnk h ILE 283 CO 0.07 0.53 -0.45 -0.07 0.00 0.00 0.00 178.15 178.23 3nnk h LEU 284 N 0.31 0.00 0.04 1.44 3.38 -1.36 0.34 115.31 119.46 3nnk h LEU 284 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3nnk h LEU 284 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3nnk h LEU 284 CO 0.10 0.45 -0.02 1.56 0.09 0.00 0.00 178.44 180.62 3nnk h GLN 285 N 0.00 -0.06 -0.36 1.13 4.20 -1.19 -2.85 115.11 115.99 3nnk h GLN 285 Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3nnk h GLN 285 Cb 0.96 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3nnk h GLN 285 CO 0.06 0.10 -0.21 1.49 -0.67 0.00 0.00 178.83 179.61 3nnk h GLU 286 N -0.20 0.69 0.00 1.46 4.81 -1.42 -3.50 114.58 116.42 3nnk h GLU 286 Ca -0.01 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3nnk h GLU 286 Cb 0.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3nnk h GLU 286 CO 0.01 0.85 0.00 0.41 -0.73 0.00 0.00 179.01 179.55 3nnk n GLY 287 N -0.32 1.47 0.09 1.92 0.00 0.11 -4.71 105.19 103.74 3nnk n GLY 287 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 3nnk n GLY 287 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3nnk h LEU 288 N 0.00 0.17 -0.58 0.99 5.85 -1.84 -0.82 115.31 119.08 3nnk h LEU 288 Ca 0.00 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3nnk h LEU 288 Cb 0.00 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3nnk h LEU 288 CO 0.00 0.21 0.35 0.44 -0.34 0.00 0.00 178.44 179.10 3nnk h ASP 289 N 0.12 0.57 -0.41 1.25 3.45 -1.92 0.18 116.42 119.65 3nnk h ASP 289 Ca 0.05 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.54 3nnk h ASP 289 Cb 0.08 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 3nnk h ASP 289 CO -0.01 0.40 0.21 1.88 -1.57 0.00 0.00 179.24 180.16 3nnk h TYR 290 N 0.69 0.40 -0.28 4.55 0.05 -1.80 0.28 116.97 120.86 3nnk h TYR 290 Ca 0.23 0.02 0.03 0.00 0.05 0.00 0.00 58.73 59.06 3nnk h TYR 290 Cb 0.02 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 3nnk h TYR 290 CO -0.06 0.22 0.09 0.78 -1.05 0.00 0.00 178.16 178.14 3nnk h GLY 291 N 0.44 0.34 0.98 3.88 0.00 -0.52 0.22 103.07 108.40 3nnk h GLY 291 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3nnk h GLY 291 CO -0.11 0.03 0.24 -2.22 0.00 0.00 0.00 176.54 174.48 3nnk h ILE 292 N 0.22 1.20 -0.84 2.60 2.04 -0.39 -1.50 117.51 120.84 3nnk h ILE 292 Ca 0.12 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3nnk h ILE 292 Cb 0.09 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3nnk h ILE 292 CO -0.13 0.23 0.41 0.00 0.00 0.00 0.00 178.15 178.66 3nnk h ALA 293 N 1.08 1.08 -0.94 1.87 0.00 -0.16 -1.81 119.26 120.38 3nnk h ALA 293 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3nnk h ALA 293 Cb 0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3nnk h ALA 293 CO -0.02 0.64 0.59 -0.09 0.00 0.00 0.00 179.25 180.37 3nnk h ARG 294 N 1.19 1.26 -0.51 0.00 2.43 -0.30 -1.23 114.38 117.21 3nnk h ARG 294 Ca 0.29 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3nnk h ARG 294 Cb 0.11 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3nnk h ARG 294 CO -0.04 0.86 0.14 0.45 -1.51 0.00 0.00 179.97 179.87 3nnk h HIS 295 N 1.29 0.85 -0.62 2.20 3.86 -0.78 -2.98 115.15 118.98 3nnk h HIS 295 Ca 0.34 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.38 3nnk h HIS 295 Cb -0.09 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.11 3nnk h HIS 295 CO 0.00 0.75 0.08 -0.22 0.86 0.00 0.00 177.93 179.40 3nnk h LYS 296 N 0.71 1.02 -0.24 2.45 3.64 -1.05 -1.69 116.57 121.42 3nnk h LYS 296 Ca 0.16 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3nnk h LYS 296 Cb 0.32 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3nnk h LYS 296 CO -0.00 0.96 0.04 1.25 -2.27 0.00 0.00 179.45 179.43 3nnk h LEU 297 N 0.96 0.01 0.00 5.20 5.85 -1.12 -1.61 115.31 124.60 3nnk h LEU 297 Ca 0.19 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 3nnk h LEU 297 Cb 0.45 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3nnk h LEU 297 CO 0.01 0.04 -0.97 0.45 -0.34 0.00 0.00 178.44 177.63 3nnk h HIS 298 N 0.14 0.00 -0.35 1.25 3.86 -1.53 -2.81 115.15 115.71 3nnk h HIS 298 Ca 0.11 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3nnk h HIS 298 Cb 0.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3nnk h HIS 298 CO -0.16 0.51 0.10 0.78 0.86 0.00 0.00 177.93 180.02 3nnk h GLY 299 N 3.63 0.58 1.73 2.45 0.00 -1.24 -2.35 103.07 107.88 3nnk h GLY 299 Ca -0.08 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 3nnk h GLY 299 CO 0.05 0.33 -0.61 -0.55 0.00 0.00 0.00 176.54 175.76 3nnk h ASP 300 N 0.41 0.32 -0.31 0.19 3.32 -1.35 -2.59 116.42 116.40 3nnk h ASP 300 Ca 0.11 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3nnk h ASP 300 Cb 0.26 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3nnk h ASP 300 CO -0.00 0.85 -0.16 0.00 -1.72 0.00 0.00 179.24 178.20 3nnk h ALA 301 N 1.15 0.95 -0.42 3.45 0.00 -1.51 -2.01 119.26 120.87 3nnk h ALA 301 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3nnk h ALA 301 Cb 1.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3nnk h ALA 301 CO 0.10 0.61 0.21 1.25 0.00 0.00 0.00 179.25 181.42 3nnk h LEU 302 N 0.68 0.54 0.08 0.00 5.85 -1.29 -2.14 115.31 119.03 3nnk h LEU 302 Ca 0.11 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3nnk h LEU 302 Cb 0.65 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3nnk h LEU 302 CO 0.05 0.50 -0.16 0.58 -0.34 0.00 0.00 178.44 179.07 3nnk h VAL 303 N 0.54 0.62 -0.68 1.05 2.07 -1.22 -1.21 116.25 117.41 3nnk h VAL 303 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3nnk h VAL 303 Cb 0.10 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3nnk h VAL 303 CO -0.02 0.00 0.39 0.11 0.02 0.00 0.00 177.57 178.07 3nnk h LYS 304 N -0.31 0.94 -0.19 1.57 1.57 -1.32 0.22 116.57 119.05 3nnk h LYS 304 Ca 0.03 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3nnk h LYS 304 Cb 0.34 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3nnk h LYS 304 CO -0.10 0.68 0.07 0.78 -0.57 0.00 0.00 179.45 180.30 3nnk h GLY 305 N 0.99 0.30 0.96 3.86 0.00 -1.18 -1.69 103.07 106.31 3nnk h GLY 305 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3nnk h GLY 305 CO -0.04 0.16 0.12 -2.22 0.00 0.00 0.00 176.54 174.56 3nnk h ILE 306 N 0.14 1.10 -0.60 2.60 1.08 -0.46 -0.87 117.51 120.48 3nnk h ILE 306 Ca 0.06 -0.25 0.07 0.00 -0.39 0.00 0.00 64.86 64.35 3nnk h ILE 306 Cb 0.20 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 34.79 3nnk h ILE 306 CO -0.00 0.09 0.30 1.56 -0.69 0.00 0.00 178.15 179.41 3nnk h GLN 307 N 0.23 0.53 0.00 2.37 4.20 -0.60 -2.10 115.11 119.74 3nnk h GLN 307 Ca 0.07 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3nnk h GLN 307 Cb 0.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3nnk h GLN 307 CO -0.01 0.35 -0.25 0.00 -0.67 0.00 0.00 178.83 178.25 3nnk h ALA 308 N 1.35 1.00 0.00 3.87 0.00 -1.10 -2.66 119.26 121.72 3nnk h ALA 308 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3nnk h ALA 308 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3nnk h ALA 308 CO -0.21 0.31 0.00 1.98 0.00 0.00 0.00 179.25 181.33 3nnk h MET 309 N 0.00 0.00 0.00 0.00 -1.53 -0.48 -3.37 114.93 109.54 3nnk h MET 309 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3nnk h MET 309 Cb 0.79 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.84 3nnk h MET 309 CO 0.03 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.49 3nnk n GLY 310 N 0.17 0.99 3.73 1.39 0.00 -1.00 -4.71 105.19 105.77 3nnk n GLY 310 Ca 0.02 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3nnk n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nnk s LEU 311 N 0.00 3.77 0.46 0.99 1.43 -1.01 -5.05 118.68 119.27 3nnk s LEU 311 Ca 0.00 0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.10 3nnk s LEU 311 Cb 0.00 -1.92 -0.10 0.00 0.03 0.00 0.00 46.19 44.21 3nnk s LEU 311 CO 0.00 0.37 0.99 -1.61 0.23 0.00 0.00 176.35 176.33 3nnk s GLU 312 N -1.02 4.02 0.22 1.70 2.02 -1.26 -4.24 118.70 120.13 3nnk s GLU 312 Ca 0.15 1.19 0.08 0.00 0.02 0.00 0.00 54.97 56.41 3nnk s GLU 312 Cb -0.12 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 3nnk s GLU 312 CO 0.04 -0.22 0.01 0.95 0.02 0.00 0.00 175.26 176.05 3nnk s THR 313 N -2.16 3.63 -0.16 3.63 -4.23 -1.26 -0.43 115.64 114.66 3nnk s THR 313 Ca 0.64 -1.64 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 3nnk s THR 313 Cb -0.12 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 3nnk s THR 313 CO 0.18 -0.24 0.13 0.12 -0.54 0.00 0.00 174.62 174.27 3nnk s PHE 314 N -2.01 3.48 0.00 3.99 5.36 0.33 -4.80 117.98 124.34 3nnk s PHE 314 Ca 0.29 0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 3nnk s PHE 314 Cb -0.08 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 3nnk s PHE 314 CO 0.19 0.51 0.00 0.41 -1.46 0.00 0.00 175.22 174.87 3nnk n GLY 315 N 2.72 -1.86 3.53 13.12 0.00 -1.26 -4.62 105.19 116.81 3nnk n GLY 315 Ca -0.18 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3nnk n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nnk s ASP 316 N -4.00 6.30 0.30 1.61 2.15 -1.06 -4.95 116.67 117.02 3nnk s ASP 316 Ca 0.00 -0.26 0.26 0.00 0.43 0.00 0.00 52.55 52.98 3nnk s ASP 316 Cb 0.00 -2.28 0.99 0.00 -0.30 0.00 0.00 42.92 41.32 3nnk s ASP 316 CO 0.00 -0.61 1.76 -0.07 -0.17 0.00 0.00 175.17 176.08 3nnk h LEU 317 N 9.32 0.00 -1.44 -1.34 3.38 -1.93 -2.70 115.31 120.60 3nnk h LEU 317 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3nnk h LEU 317 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3nnk h LEU 317 CO 0.82 0.00 -0.23 0.11 0.09 0.00 0.00 178.44 179.23 3nnk h LYS 318 N 0.00 0.07 -0.05 1.13 1.57 -2.01 -3.11 116.57 114.18 3nnk h LYS 318 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3nnk h LYS 318 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3nnk h LYS 318 CO 0.00 0.31 -0.34 0.72 -0.57 0.00 0.00 179.45 179.57 3nnk n HIS 319 N -4.23 0.15 -2.30 -1.35 8.25 -1.03 -5.05 115.22 109.66 3nnk n HIS 319 Ca -0.02 -1.40 -0.39 0.00 -0.26 0.00 0.00 57.72 55.65 3nnk n HIS 319 Cb 0.31 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 3nnk n HIS 319 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3nnk s LYS 320 N -3.16 4.29 0.33 -0.41 2.20 -1.17 0.48 119.74 122.31 3nnk s LYS 320 Ca 0.38 1.92 -0.29 0.00 -0.36 0.00 0.00 55.97 57.62 3nnk s LYS 320 Cb 0.36 -2.91 -0.11 0.00 -1.51 0.00 0.00 37.83 33.66 3nnk s LYS 320 CO -0.04 -0.14 1.44 -1.64 -0.36 0.00 0.00 175.35 174.61 3nnk s MET 321 N -1.95 4.21 0.46 4.03 -1.94 0.59 -4.70 119.30 119.99 3nnk s MET 321 Ca 0.52 2.43 0.14 0.00 -1.71 0.00 0.00 55.69 57.07 3nnk s MET 321 Cb -0.33 -3.03 1.08 0.00 2.01 0.00 0.00 34.83 34.56 3nnk s MET 321 CO 0.43 -0.43 2.03 -0.91 -0.01 0.00 0.00 175.02 176.13 3nnk h ASN 322 N 3.64 0.28 -0.32 3.03 2.35 -1.89 -3.19 115.58 119.49 3nnk h ASN 322 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3nnk h ASN 322 Cb 1.23 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3nnk h ASN 322 CO 0.68 0.18 0.00 -0.46 -1.65 0.00 0.00 177.43 176.19 3nnk n ASN 323 N -4.47 3.09 -3.93 5.81 6.94 -1.26 -3.90 115.26 117.53 3nnk n ASN 323 Ca 0.06 -1.90 -0.10 0.00 -0.02 0.00 0.00 54.58 52.63 3nnk n ASN 323 Cb 0.29 -0.21 -0.11 0.00 -2.36 0.00 0.00 39.78 37.39 3nnk n ASN 323 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3nnk s VAL 324 N -1.27 0.09 -0.04 3.53 1.01 -1.21 -1.23 120.40 121.29 3nnk s VAL 324 Ca 0.31 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 3nnk s VAL 324 Cb 0.18 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.29 3nnk s VAL 324 CO 0.25 -0.41 0.09 -0.22 0.00 0.00 0.00 175.10 174.81 3nnk s LEU 325 N -1.29 1.08 -0.30 3.92 0.20 -1.03 -4.46 118.68 116.81 3nnk s LEU 325 Ca -0.14 0.18 -0.18 0.00 0.69 0.00 0.00 54.13 54.68 3nnk s LEU 325 Cb -0.08 0.20 -0.02 0.00 -0.43 0.00 0.00 46.19 45.86 3nnk s LEU 325 CO -0.00 -0.11 0.51 -0.83 -0.29 0.00 0.00 176.35 175.63 3nnk s GLY 326 N 0.86 1.83 -0.22 7.98 0.00 -1.26 -1.25 107.32 115.26 3nnk s GLY 326 Ca -0.07 -0.78 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 3nnk s GLY 326 CO -0.04 1.25 0.05 0.14 0.00 0.00 0.00 173.10 174.50 3nnk s VAL 327 N 2.36 4.33 -0.09 1.40 1.01 0.83 -0.51 120.40 129.73 3nnk s VAL 327 Ca 0.20 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3nnk s VAL 327 Cb -0.15 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3nnk s VAL 327 CO 0.11 0.39 1.29 -0.69 0.00 0.00 0.00 175.10 176.20 3nnk s VAL 328 N 1.12 4.13 -0.06 2.92 1.01 0.43 -0.34 120.40 129.60 3nnk s VAL 328 Ca 0.04 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.15 3nnk s VAL 328 Cb -0.14 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3nnk s VAL 328 CO 0.03 -0.06 1.43 -0.63 0.00 0.00 0.00 175.10 175.87 3nnk s ILE 329 N 2.85 3.84 0.36 2.22 1.01 0.03 -4.41 121.20 127.10 3nnk s ILE 329 Ca 0.58 1.11 -0.28 0.00 0.00 0.00 0.00 60.65 62.06 3nnk s ILE 329 Cb -0.25 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 3nnk s ILE 329 CO 0.20 -0.06 1.50 -2.84 0.00 0.00 0.00 174.94 173.75 3nnk s PRO 330 N 3.18 4.11 0.40 2.79 0.02 -1.26 -4.95 135.00 139.28 3nnk s PRO 330 Ca 0.64 2.57 -0.27 0.00 0.02 0.00 0.00 61.00 63.96 3nnk s PRO 330 Cb -0.29 -2.98 -0.09 0.00 0.02 0.00 0.00 34.50 31.16 3nnk s PRO 330 CO 0.24 -0.55 1.38 1.14 -0.33 0.00 0.00 177.00 178.88 3nnk s GLN 331 N -1.82 4.01 0.00 5.54 0.00 -1.26 -2.82 119.66 123.31 3nnk s GLN 331 Ca 0.54 2.34 0.00 0.00 -0.00 0.00 0.00 55.36 58.24 3nnk s GLN 331 Cb -0.47 -2.85 0.00 0.00 0.00 0.00 0.00 33.01 29.70 3nnk s GLN 331 CO 0.61 -0.52 0.00 0.41 0.00 0.00 0.00 175.29 175.78 3nnk n GLY 332 N 0.62 0.46 2.81 2.60 0.00 -1.26 -5.05 105.19 105.36 3nnk n GLY 332 Ca 0.03 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nnk s ILE 333 N -2.00 0.31 -0.33 -0.61 -5.25 -1.13 -5.04 121.20 107.16 3nnk s ILE 333 Ca 0.00 0.08 -0.29 0.00 -0.99 0.00 0.00 60.65 59.45 3nnk s ILE 333 Cb 0.00 -0.43 0.01 0.00 2.95 0.00 0.00 42.46 44.99 3nnk s ILE 333 CO 0.00 0.21 1.21 0.21 -1.79 0.00 0.00 174.94 174.78 3nnk s ASN 334 N 1.44 6.75 0.24 4.36 3.84 -1.26 -4.80 114.94 125.51 3nnk s ASN 334 Ca -0.03 1.07 -0.04 0.00 0.21 0.00 0.00 52.86 54.06 3nnk s ASN 334 Cb -0.13 -2.54 0.25 0.00 -0.55 0.00 0.00 41.25 38.28 3nnk s ASN 334 CO -0.03 -1.04 1.74 1.23 -2.79 0.00 0.00 177.10 176.22 3nnk h GLY 335 N 10.66 1.00 1.86 1.21 0.00 -1.94 -2.17 103.07 113.70 3nnk h GLY 335 Ca -0.24 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.34 3nnk h GLY 335 CO 1.04 0.60 -0.40 1.29 0.00 0.00 0.00 176.54 179.08 3nnk h ASP 336 N 0.88 0.16 -0.36 0.19 2.03 -1.96 -2.21 116.42 115.14 3nnk h ASP 336 Ca 0.18 -0.06 -0.11 0.00 -0.73 0.00 0.00 57.03 56.30 3nnk h ASP 336 Cb 0.42 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 3nnk h ASP 336 CO 0.01 0.55 -0.20 -0.61 -1.03 0.00 0.00 179.24 177.97 3nnk h GLN 337 N 0.13 0.78 -0.51 4.15 4.15 -1.86 -1.74 115.11 120.20 3nnk h GLN 337 Ca 0.01 -0.35 -0.08 0.00 0.77 0.00 0.00 58.65 59.01 3nnk h GLN 337 Cb 0.77 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 3nnk h GLN 337 CO 0.06 0.97 0.00 0.00 -1.93 0.00 0.00 178.83 177.93 3nnk h ALA 338 N 0.79 1.04 -0.70 3.38 0.00 -1.32 -1.98 119.26 120.48 3nnk h ALA 338 Ca 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3nnk h ALA 338 Cb 0.75 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3nnk h ALA 338 CO 0.06 0.60 0.30 0.00 0.00 0.00 0.00 179.25 180.20 3nnk h ARG 339 N 0.80 1.03 -0.72 0.00 3.08 -1.30 0.52 114.38 117.78 3nnk h ARG 339 Ca 0.15 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3nnk h ARG 339 Cb 0.47 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3nnk h ARG 339 CO 0.02 0.84 0.21 -0.22 -1.07 0.00 0.00 179.97 179.76 3nnk h LYS 340 N 0.99 1.13 -0.20 0.04 3.64 -1.08 -1.80 116.57 119.29 3nnk h LYS 340 Ca 0.23 -0.25 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 3nnk h LYS 340 Cb 0.18 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3nnk h LYS 340 CO -0.02 0.97 -0.68 -0.07 -2.27 0.00 0.00 179.45 177.38 3nnk h LEU 341 N 1.07 0.92 -1.12 5.20 3.38 -1.12 0.34 115.31 123.98 3nnk h LEU 341 Ca 0.23 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3nnk h LEU 341 Cb 0.32 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3nnk h LEU 341 CO -0.01 1.35 0.47 0.24 0.09 0.00 0.00 178.44 180.58 3nnk h MET 342 N 0.57 1.07 0.00 1.13 2.86 -0.83 -2.27 114.93 117.46 3nnk h MET 342 Ca -0.02 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3nnk h MET 342 Cb 1.30 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 3nnk h MET 342 CO 0.14 0.75 -0.03 1.25 1.06 0.00 0.00 176.91 180.08 3nnk h LEU 343 N 1.09 0.00 -0.43 1.22 5.85 -0.91 -0.23 115.31 121.91 3nnk h LEU 343 Ca 0.28 -0.60 -0.18 0.00 0.84 0.00 0.00 57.88 58.22 3nnk h LEU 343 Cb -0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3nnk h LEU 343 CO -0.05 0.82 -0.77 -0.33 -0.34 0.00 0.00 178.44 177.77 3nnk h GLU 344 N -1.00 0.22 0.00 1.25 5.08 -1.01 -2.16 114.58 116.96 3nnk h GLU 344 Ca -0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3nnk h GLU 344 Cb 0.63 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3nnk h GLU 344 CO -0.00 0.88 -1.52 -0.25 -1.00 0.00 0.00 179.01 177.11 3nnk n ASP 345 N -3.74 1.42 0.00 1.42 8.00 -0.86 -4.64 116.55 118.16 3nnk n ASP 345 Ca -0.03 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3nnk n ASP 345 Cb 0.73 1.58 0.00 0.00 -0.02 0.00 0.00 41.12 43.41 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3nnk n PHE 346 N -1.91 0.00 -1.19 1.24 3.72 -1.15 -5.02 117.46 113.14 3nnk n PHE 346 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 3nnk n PHE 346 Cb 0.36 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 3nnk n PHE 346 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3nnk n GLY 347 N 2.04 0.76 3.39 1.37 0.00 -0.81 -4.94 105.19 107.00 3nnk n GLY 347 Ca 0.00 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 3nnk n GLY 347 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nnk s ILE 348 N -2.20 3.04 -0.31 -0.61 1.01 -0.15 -0.40 121.20 121.59 3nnk s ILE 348 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 3nnk s ILE 348 Cb 0.00 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 3nnk s ILE 348 CO 0.00 0.54 0.17 -0.70 0.00 0.00 0.00 174.94 174.94 3nnk s GLU 349 N 0.18 3.42 0.13 2.79 2.12 -0.56 -2.31 118.70 124.47 3nnk s GLU 349 Ca -0.08 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.60 3nnk s GLU 349 Cb -0.15 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 3nnk s GLU 349 CO 0.05 -0.40 0.26 0.96 -0.54 0.00 0.00 175.26 175.60 3nnk s ILE 350 N 1.64 5.31 0.02 -3.70 -4.36 -1.26 -1.11 121.20 117.74 3nnk s ILE 350 Ca 0.05 -0.64 -0.16 0.00 -0.26 0.00 0.00 60.65 59.64 3nnk s ILE 350 Cb -0.17 -3.71 -0.06 0.00 1.25 0.00 0.00 42.46 39.78 3nnk s ILE 350 CO 0.07 -0.05 0.46 -0.83 0.24 0.00 0.00 174.94 174.84 3nnk s GLY 351 N -3.08 2.54 0.65 6.27 0.00 -0.21 -4.86 107.32 108.62 3nnk s GLY 351 Ca 0.34 -0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.85 3nnk s GLY 351 CO 0.28 0.27 0.98 -1.08 0.00 0.00 0.00 173.10 173.56 3nnk s THR 352 N -1.01 3.25 0.12 0.90 -1.32 -1.26 -0.41 115.64 115.91 3nnk s THR 352 Ca 0.25 0.06 0.04 0.00 -1.21 0.00 0.00 61.69 60.83 3nnk s THR 352 Cb -0.18 -3.34 -0.04 0.00 -1.51 0.00 0.00 72.50 67.43 3nnk s THR 352 CO 0.15 -0.39 0.12 -0.44 -2.21 0.00 0.00 174.62 171.85 3nnk s SER 353 N -4.37 5.59 0.14 8.08 0.01 -1.22 -4.68 113.70 117.24 3nnk s SER 353 Ca 0.57 -0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.86 3nnk s SER 353 Cb -0.11 -1.50 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 3nnk s SER 353 CO 0.47 0.12 -0.10 -0.36 0.41 0.00 0.00 173.24 173.78 3nnk s PHE 354 N -1.57 2.69 0.00 2.43 0.08 -1.26 -3.89 117.98 116.46 3nnk s PHE 354 Ca 0.30 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.16 3nnk s PHE 354 Cb -0.11 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 3nnk s PHE 354 CO 0.23 0.46 0.00 0.41 -0.10 0.00 0.00 175.22 176.22 3nnk n GLY 355 N 0.39 -0.68 0.00 4.36 0.00 -1.26 -4.18 105.19 103.82 3nnk n GLY 355 Ca -0.12 -1.27 0.01 0.00 0.00 0.00 0.00 46.02 44.64 3nnk n GLY 355 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 356 N 0.00 0.15 0.00 1.61 -0.04 -1.26 -1.05 135.00 134.41 3nnk n PRO 356 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 3nnk n PRO 356 Cb 0.00 -1.24 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 3nnk n PRO 356 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3nnk n LEU 357 N -0.74 1.57 -4.75 1.53 4.77 -1.26 -4.95 117.00 113.17 3nnk n LEU 357 Ca 0.02 -0.97 -0.41 0.00 -0.03 0.00 0.00 56.01 54.62 3nnk n LEU 357 Cb 0.01 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3nnk n LEU 357 CO 0.01 0.32 1.05 -2.28 -1.33 0.00 0.00 177.39 175.16 3nnk s HIS 358 N -0.71 3.04 0.00 -1.77 2.46 -0.21 -1.87 115.29 116.24 3nnk s HIS 358 Ca 0.09 1.17 0.00 0.00 0.47 0.00 0.00 55.06 56.79 3nnk s HIS 358 Cb 0.06 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.76 3nnk s HIS 358 CO 0.11 -2.34 0.00 0.41 -2.47 0.00 0.00 174.74 170.45 3nnk n GLY 359 N 1.74 0.35 0.03 1.59 0.00 -1.26 -4.75 105.19 102.90 3nnk n GLY 359 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 3nnk n GLY 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nnk n LYS 360 N -1.48 1.43 -4.05 1.61 4.76 -0.86 -4.81 118.16 114.75 3nnk n LYS 360 Ca 0.00 0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.29 3nnk n LYS 360 Cb 0.12 -1.15 -0.16 0.00 -1.84 0.00 0.00 35.03 32.00 3nnk n LYS 360 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3nnk s VAL 361 N -2.15 0.33 0.09 -0.18 1.01 -0.78 -0.79 120.40 117.93 3nnk s VAL 361 Ca -0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 3nnk s VAL 361 Cb 0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 3nnk s VAL 361 CO 0.21 0.15 0.45 0.26 0.00 0.00 0.00 175.10 176.17 3nnk s TRP 362 N 0.67 3.61 -0.28 5.22 0.51 0.53 -3.46 118.94 125.74 3nnk s TRP 362 Ca -0.07 0.90 -0.02 0.00 -2.12 0.00 0.00 56.10 54.79 3nnk s TRP 362 Cb -0.11 -2.24 0.04 0.00 -0.81 0.00 0.00 33.47 30.35 3nnk s TRP 362 CO -0.01 0.51 -0.02 1.03 -0.51 0.00 0.00 176.95 177.95 3nnk s ARG 363 N -1.81 2.57 -0.31 4.98 0.52 0.45 -0.12 118.95 125.24 3nnk s ARG 363 Ca 0.33 -1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 54.34 3nnk s ARG 363 Cb -0.15 -3.12 0.04 0.00 0.52 0.00 0.00 34.95 32.25 3nnk s ARG 363 CO 0.18 -0.54 0.04 0.42 0.02 0.00 0.00 175.30 175.41 3nnk s ILE 364 N 1.28 3.35 -0.09 1.52 1.01 -0.38 -1.05 121.20 126.85 3nnk s ILE 364 Ca -0.03 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 3nnk s ILE 364 Cb -0.19 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3nnk s ILE 364 CO -0.02 -0.08 0.17 -0.83 0.00 0.00 0.00 174.94 174.18 3nnk s GLY 365 N 1.34 2.19 -0.54 6.18 0.00 0.54 -2.45 107.32 114.58 3nnk s GLY 365 Ca -0.03 -0.62 0.04 0.00 0.00 0.00 0.00 44.72 44.12 3nnk s GLY 365 CO 0.00 -0.37 0.32 -0.51 0.00 0.00 0.00 173.10 172.54 3nnk s THR 366 N -1.08 2.26 0.13 0.90 -4.23 -0.36 -4.39 115.64 108.86 3nnk s THR 366 Ca 0.18 -3.35 0.06 0.00 -1.18 0.00 0.00 61.69 57.41 3nnk s THR 366 Cb -0.13 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 3nnk s THR 366 CO 0.07 -0.90 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.07 3nnk s MET 367 N -0.41 1.07 4.50 3.99 -1.94 -1.26 -4.45 119.30 120.79 3nnk s MET 367 Ca 0.20 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.91 3nnk s MET 367 Cb -0.19 -0.97 0.00 0.00 2.01 0.00 0.00 34.83 35.68 3nnk s MET 367 CO -0.05 0.19 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 3nnk n GLY 368 N 0.47 3.36 0.23 -0.03 0.00 -1.25 -0.55 105.19 107.42 3nnk n GLY 368 Ca -0.15 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.13 3nnk n GLY 368 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3nnk h TYR 369 N 0.00 0.00 -0.14 1.61 3.20 -1.84 -2.77 116.97 117.04 3nnk h TYR 369 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3nnk h TYR 369 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3nnk h TYR 369 CO 0.00 0.17 0.00 0.09 -1.64 0.00 0.00 178.16 176.78 3nnk n ASN 370 N -4.23 1.74 -4.57 -2.11 4.13 0.28 -4.53 115.26 105.97 3nnk n ASN 370 Ca -0.02 -1.68 -0.39 0.00 1.68 0.00 0.00 54.58 54.17 3nnk n ASN 370 Cb 0.24 -0.09 -0.02 0.00 -1.54 0.00 0.00 39.78 38.38 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk n ALA 371 N 0.37 3.07 -2.18 5.41 0.00 -0.97 -4.33 120.51 121.89 3nnk n ALA 371 Ca 0.17 -3.62 -0.09 0.00 0.00 0.00 0.00 53.44 49.91 3nnk n ALA 371 Cb 0.35 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 16.14 3nnk n ALA 371 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nnk s ARG 372 N 4.85 0.83 0.12 0.00 0.52 -1.26 -4.87 118.95 119.15 3nnk s ARG 372 Ca 0.58 -1.33 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 3nnk s ARG 372 Cb 0.03 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 3nnk s ARG 372 CO 0.10 -0.22 1.49 -0.22 0.02 0.00 0.00 175.30 176.47 3nnk h LYS 373 N 2.93 0.77 0.00 3.54 3.64 -1.98 -3.08 116.57 122.40 3nnk h LYS 373 Ca -0.34 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 58.62 3nnk h LYS 373 Cb 1.18 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3nnk h LYS 373 CO 0.61 0.96 -0.37 0.38 -2.27 0.00 0.00 179.45 178.75 3nnk h ASP 374 N 0.57 0.00 -0.20 4.20 2.03 -1.97 -1.11 116.42 119.93 3nnk h ASP 374 Ca 0.08 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.27 3nnk h ASP 374 Cb 0.73 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.23 3nnk h ASP 374 CO 0.05 0.37 -0.30 0.00 -1.03 0.00 0.00 179.24 178.33 3nnk h VAL 376 N 0.24 1.15 -0.62 0.00 2.07 -1.43 -1.23 116.25 116.42 3nnk h VAL 376 Ca 0.02 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.13 3nnk h VAL 376 Cb 0.88 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 3nnk h VAL 376 CO 0.07 0.12 0.38 0.24 0.02 0.00 0.00 177.57 178.40 3nnk h MET 377 N -0.13 0.74 -0.56 1.57 2.07 -1.26 0.33 114.93 117.68 3nnk h MET 377 Ca 0.01 -0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 57.53 3nnk h MET 377 Cb 0.18 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.72 3nnk h MET 377 CO -0.00 0.49 0.11 1.15 1.07 0.00 0.00 176.91 179.73 3nnk h THR 378 N 0.76 1.25 -0.05 2.22 2.02 -1.21 -2.72 112.91 115.19 3nnk h THR 378 Ca 0.25 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3nnk h THR 378 Cb 0.01 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3nnk h THR 378 CO -0.10 0.34 -0.00 0.74 0.37 0.00 0.00 175.52 176.87 3nnk h THR 379 N 0.82 1.25 -0.18 3.16 2.02 -0.75 -2.24 112.91 116.99 3nnk h THR 379 Ca 0.17 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3nnk h THR 379 Cb 0.38 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 3nnk h THR 379 CO 0.01 0.21 0.09 -0.07 0.37 0.00 0.00 175.52 176.13 3nnk h LEU 380 N -0.22 0.14 -1.07 2.58 3.38 -1.00 -1.11 115.31 118.01 3nnk h LEU 380 Ca 0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3nnk h LEU 380 Cb 0.33 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3nnk h LEU 380 CO 0.00 0.11 0.10 0.77 0.09 0.00 0.00 178.44 179.50 3nnk h SER 381 N 0.19 0.71 -0.30 -0.43 4.64 -1.51 -0.95 113.55 115.91 3nnk h SER 381 Ca 0.07 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 3nnk h SER 381 Cb 0.02 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 3nnk h SER 381 CO -0.05 0.72 -0.07 0.00 -0.87 0.00 0.00 176.83 176.56 3nnk h ALA 382 N 1.38 0.41 -0.33 5.18 0.00 -1.22 -1.88 119.26 122.79 3nnk h ALA 382 Ca 0.16 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3nnk h ALA 382 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3nnk h ALA 382 CO 0.00 0.23 0.19 1.25 0.00 0.00 0.00 179.25 180.92 3nnk h LEU 383 N 0.34 0.30 -0.63 0.00 6.46 -0.80 -0.67 115.31 120.31 3nnk h LEU 383 Ca 0.08 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 3nnk h LEU 383 Cb 0.55 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 3nnk h LEU 383 CO 0.03 0.22 0.24 -0.08 -0.62 0.00 0.00 178.44 178.23 3nnk h GLU 384 N 0.39 0.95 -0.74 1.25 4.81 -1.20 -0.83 114.58 119.20 3nnk h GLU 384 Ca 0.13 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3nnk h GLU 384 Cb 0.01 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3nnk h GLU 384 CO -0.07 0.81 0.33 0.00 -0.73 0.00 0.00 179.01 179.34 3nnk h ALA 385 N 1.10 1.18 -0.13 2.92 0.00 -1.00 -2.02 119.26 121.31 3nnk h ALA 385 Ca 0.21 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3nnk h ALA 385 Cb 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3nnk h ALA 385 CO -0.02 0.61 -0.37 0.28 0.00 0.00 0.00 179.25 179.75 3nnk h VAL 386 N 1.06 1.36 -0.45 0.00 2.07 -0.93 -2.97 116.25 116.40 3nnk h VAL 386 Ca 0.25 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 3nnk h VAL 386 Cb 0.15 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3nnk h VAL 386 CO -0.03 0.50 0.20 -0.07 0.02 0.00 0.00 177.57 178.19 3nnk h LEU 387 N 0.10 0.60 -1.07 2.57 3.38 -1.03 -0.33 115.31 119.53 3nnk h LEU 387 Ca -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3nnk h LEU 387 Cb 0.99 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3nnk h LEU 387 CO 0.08 0.57 0.40 0.78 0.09 0.00 0.00 178.44 180.37 3nnk h ASN 388 N 0.58 0.95 -0.68 -0.43 2.35 -1.40 0.20 115.58 117.15 3nnk h ASN 388 Ca 0.15 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 3nnk h ASN 388 Cb 0.15 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3nnk h ASN 388 CO -0.02 0.77 0.13 0.22 -1.65 0.00 0.00 177.43 176.89 3nnk h TYR 389 N 1.06 1.18 -0.28 1.19 5.03 -1.31 -2.66 116.97 121.18 3nnk h TYR 389 Ca 0.27 -0.15 -0.07 0.00 2.58 0.00 0.00 58.73 61.35 3nnk h TYR 389 Cb 0.04 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 37.95 3nnk h TYR 389 CO 0.01 0.97 0.09 1.28 -1.32 0.00 0.00 178.16 179.19 3nnk n LEU 390 N -4.22 3.43 -0.55 2.82 4.32 -0.16 -4.88 117.00 117.76 3nnk n LEU 390 Ca 0.05 -1.76 -0.07 0.00 -0.02 0.00 0.00 56.01 54.21 3nnk n LEU 390 Cb 0.28 -0.59 -0.03 0.00 -1.62 0.00 0.00 43.42 41.45 3nnk n LEU 390 CO 0.43 0.51 -0.07 0.29 -1.22 0.00 0.00 177.39 177.33 3nnk n LYS 391 N 0.11 -0.61 -3.19 3.23 5.02 -0.97 -4.99 118.16 116.76 3nnk n LYS 391 Ca 0.15 0.71 -0.44 0.00 -2.02 0.00 0.00 58.31 56.71 3nnk n LYS 391 Cb 0.74 -4.52 -0.07 0.00 -0.02 0.00 0.00 35.03 31.16 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3nnk s PHE 392 N -2.20 3.08 0.12 2.13 5.36 0.67 -4.99 117.98 122.14 3nnk s PHE 392 Ca 0.00 -0.48 -0.30 0.00 -0.96 0.00 0.00 56.93 55.19 3nnk s PHE 392 Cb 0.00 -3.40 -0.07 0.00 -0.34 0.00 0.00 43.02 39.21 3nnk s PHE 392 CO 0.00 -0.95 1.14 -2.14 -1.46 0.00 0.00 175.22 171.80 3nnk s PRO 393 N 2.52 4.52 0.14 10.12 0.02 -1.26 -3.46 135.00 147.60 3nnk s PRO 393 Ca 0.15 1.73 0.06 0.00 0.02 0.00 0.00 61.00 62.95 3nnk s PRO 393 Cb -0.19 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 3nnk s PRO 393 CO 0.13 -0.07 -0.13 0.95 -0.33 0.00 0.00 177.00 177.55 3nnk s THR 394 N 0.36 1.31 0.01 0.99 -4.23 -1.26 -5.04 115.64 107.78 3nnk s THR 394 Ca 0.53 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.87 3nnk s THR 394 Cb -0.29 -1.68 -0.06 0.00 1.34 0.00 0.00 72.50 71.82 3nnk s THR 394 CO 0.32 -0.54 1.36 -0.89 -0.54 0.00 0.00 174.62 174.33 3nnk s THR 395 N -2.61 3.76 0.06 3.99 2.01 -1.26 -4.95 115.64 116.64 3nnk s THR 395 Ca 0.13 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.99 3nnk s THR 395 Cb -0.02 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 3nnk s THR 395 CO 0.03 0.02 1.82 -1.58 -0.69 0.00 0.00 174.62 174.21 3nnk s GLN 396 N 2.10 4.16 0.00 4.92 0.74 -1.26 -2.86 119.66 127.45 3nnk s GLN 396 Ca 0.62 2.49 0.00 0.00 0.05 0.00 0.00 55.36 58.52 3nnk s GLN 396 Cb -0.31 -3.86 0.00 0.00 1.10 0.00 0.00 33.01 29.94 3nnk s GLN 396 CO 0.27 -0.86 0.00 0.41 -0.55 0.00 0.00 175.29 174.55 3nnk n GLY 397 N 4.28 1.75 0.19 2.59 0.00 -1.26 -4.92 105.19 107.82 3nnk n GLY 397 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 3nnk n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nnk h ALA 398 N 0.00 0.30 -0.57 4.61 0.00 -1.85 -2.03 119.26 119.72 3nnk h ALA 398 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3nnk h ALA 398 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3nnk h ALA 398 CO 0.00 0.46 0.05 0.00 0.00 0.00 0.00 179.25 179.76 3nnk h ALA 399 N 0.57 0.76 -0.08 0.00 0.00 -1.79 -2.57 119.26 116.15 3nnk h ALA 399 Ca -0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 3nnk h ALA 399 Cb 1.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3nnk h ALA 399 CO 0.10 0.54 -0.76 0.52 0.00 0.00 0.00 179.25 179.65 3nnk h MET 400 N 0.86 0.46 -0.51 0.00 2.86 -1.87 -3.17 114.93 113.54 3nnk h MET 400 Ca 0.17 -0.39 0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3nnk h MET 400 Cb 0.47 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 3nnk h MET 400 CO 0.02 1.02 0.29 0.37 1.06 0.00 0.00 176.91 179.67 3nnk h GLN 401 N 0.30 0.55 -0.45 1.72 5.75 -1.26 -1.34 115.11 120.38 3nnk h GLN 401 Ca -0.04 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3nnk h GLN 401 Cb 1.35 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 3nnk h GLN 401 CO 0.13 0.36 0.27 0.00 -2.65 0.00 0.00 178.83 176.94 3nnk h ALA 402 N 1.25 0.57 0.06 3.38 0.00 -1.48 0.16 119.26 123.21 3nnk h ALA 402 Ca 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3nnk h ALA 402 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3nnk h ALA 402 CO -0.12 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.16 3nnk h ALA 403 N 1.12 -0.09 -0.79 0.00 0.00 -1.49 -0.52 119.26 117.49 3nnk h ALA 403 Ca 0.16 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3nnk h ALA 403 Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 3nnk h ALA 403 CO -0.03 -0.50 0.44 -1.49 0.00 0.00 0.00 179.25 177.66 3nnk h TRP 404 N -0.17 0.79 0.00 0.00 6.55 -1.07 -0.53 115.95 121.52 3nnk h TRP 404 Ca -0.01 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.76 3nnk h TRP 404 Cb 0.15 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.20 3nnk h TRP 404 CO -0.04 0.31 -0.49 -0.44 -1.05 0.00 0.00 178.44 176.73 3nnk h ASP 405 N 0.73 0.00 -0.12 -3.49 3.32 -0.47 -0.23 116.42 116.16 3nnk h ASP 405 Ca 0.38 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.30 3nnk h ASP 405 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3nnk h ASP 405 CO -0.25 0.49 -0.44 -0.74 -1.72 0.00 0.00 179.24 176.58 3nnk h HIS 406 N 0.00 0.68 -0.49 4.55 2.76 -0.52 -2.27 115.15 119.86 3nnk h HIS 406 Ca -0.00 -0.28 -0.09 0.00 -2.20 0.00 0.00 60.37 57.79 3nnk h HIS 406 Cb 0.87 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 3nnk h HIS 406 CO 0.00 1.04 -0.06 1.88 -1.30 0.00 0.00 177.93 179.49 3nnk h TYR 407 N 0.12 0.95 -0.35 5.26 0.05 -0.98 -0.95 116.97 121.07 3nnk h TYR 407 Ca -0.02 -0.17 -0.13 0.00 0.05 0.00 0.00 58.73 58.46 3nnk h TYR 407 Cb 1.07 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 3nnk h TYR 407 CO 0.11 0.90 -0.32 0.00 -1.05 0.00 0.00 178.16 177.79 3nnk h ARG 408 N 0.80 0.78 -0.41 4.88 -0.00 -1.11 -2.96 114.38 116.35 3nnk h ARG 408 Ca 0.14 -0.37 -0.15 0.00 -0.50 0.00 0.00 59.98 59.11 3nnk h ARG 408 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.52 3nnk h ARG 408 CO 0.03 0.99 -0.31 0.77 0.00 0.00 0.00 179.97 181.45 3nnk h SER 409 N 0.65 0.97 0.94 7.04 0.02 -1.25 -3.20 113.55 118.73 3nnk h SER 409 Ca 0.07 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3nnk h SER 409 Cb 0.86 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3nnk h SER 409 CO 0.08 1.20 0.00 -0.62 -1.14 0.00 0.00 176.83 176.34 3nnk n GLU 410 N -4.08 0.19 0.00 3.45 1.02 -0.38 -5.10 120.64 115.74 3nnk n GLU 410 Ca -0.01 0.32 0.14 0.00 -0.02 0.00 0.00 57.16 57.59 3nnk n GLU 410 Cb 0.50 -1.80 0.44 0.00 -0.02 0.00 0.00 31.44 30.57 3nnk n GLU 410 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20