#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk h ILE 3 N 0.00 1.21 0.00 5.18 6.09 -2.07 -3.06 117.51 124.86 3nnk h ILE 3 Ca 0.00 -1.01 -0.01 0.00 -1.37 0.00 0.00 64.86 62.47 3nnk h ILE 3 Cb 0.00 1.52 -0.00 0.00 0.47 0.00 0.00 36.82 38.81 3nnk h ILE 3 CO 0.00 0.29 -0.06 0.71 -3.07 0.00 0.00 178.15 176.02 3nnk h THR 4 N 0.03 0.50 -0.02 2.19 1.35 -2.10 -1.77 112.91 113.09 3nnk h THR 4 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3nnk h THR 4 Cb 0.52 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3nnk h THR 4 CO 0.04 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 3nnk n GLN 5 N -3.67 1.71 -2.90 4.72 10.64 -1.16 -4.47 117.38 122.24 3nnk n GLN 5 Ca -0.02 -1.02 -0.44 0.00 -1.83 0.00 0.00 57.00 53.69 3nnk n GLN 5 Cb 0.17 -1.48 -0.03 0.00 -0.86 0.00 0.00 30.24 28.04 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 -1.99 3.09 0.89 2.61 0.40 -0.67 -5.03 117.98 117.28 3nnk s PHE 6 Ca 0.37 -1.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.20 3nnk s PHE 6 Cb 0.21 -4.31 0.14 0.00 0.51 0.00 0.00 43.02 39.58 3nnk s PHE 6 CO 0.33 -1.51 1.25 -1.54 0.70 0.00 0.00 175.22 174.45 3nnk s SER 7 N 3.71 3.76 0.76 1.36 1.04 -1.26 -5.03 113.70 118.04 3nnk s SER 7 Ca 0.34 0.48 -0.14 0.00 0.48 0.00 0.00 55.95 57.11 3nnk s SER 7 Cb -0.04 -0.74 0.06 0.00 0.10 0.00 0.00 66.02 65.40 3nnk s SER 7 CO -0.09 -2.34 1.21 0.00 0.98 0.00 0.00 173.24 172.99 3nnk s GLN 8 N -5.73 1.93 0.20 4.02 -2.07 -1.26 -4.90 119.66 111.85 3nnk s GLN 8 Ca 0.68 1.76 -0.32 0.00 -1.82 0.00 0.00 55.36 55.66 3nnk s GLN 8 Cb -0.07 -1.81 -0.13 0.00 -1.09 0.00 0.00 33.01 29.91 3nnk s GLN 8 CO 0.51 -1.99 1.57 -0.11 -1.32 0.00 0.00 175.29 173.95 3nnk n LEU 9 N -2.96 3.42 -2.86 2.60 -0.00 -1.26 -4.97 117.00 110.97 3nnk n LEU 9 Ca 0.13 1.10 -0.10 0.00 -0.00 0.00 0.00 56.01 57.15 3nnk n LEU 9 Cb 0.50 -1.48 0.01 0.00 -0.00 0.00 0.00 43.42 42.45 3nnk n LEU 9 CO 0.48 -0.19 0.07 -3.20 -0.00 0.00 0.00 177.39 174.55 3nnk n ASN 10 N 3.09 -2.62 -4.79 1.96 4.05 -1.26 -5.15 115.26 110.55 3nnk n ASN 10 Ca 0.15 -2.99 -0.36 0.00 0.45 0.00 0.00 54.58 51.83 3nnk n ASN 10 Cb 0.31 1.33 -0.06 0.00 1.23 0.00 0.00 39.78 42.59 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 0.53 4.40 0.61 1.20 0.04 -1.26 -5.04 135.00 135.48 3nnk s PRO 11 Ca 0.32 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 3nnk s PRO 11 Cb 0.11 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3nnk s PRO 11 CO -0.15 0.11 1.10 -1.25 0.04 0.00 0.00 177.00 176.86 3nnk s PRO 12 N -2.47 3.08 0.08 0.56 0.04 -1.26 -4.96 135.00 130.07 3nnk s PRO 12 Ca 0.55 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 3nnk s PRO 12 Cb -0.16 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 3nnk s PRO 12 CO 0.21 -1.04 1.69 0.45 0.04 0.00 0.00 177.00 178.36 3nnk s SER 13 N -2.35 6.57 -0.04 6.66 0.15 -1.26 -4.99 113.70 118.43 3nnk s SER 13 Ca 0.68 2.53 0.02 0.00 0.70 0.00 0.00 55.95 59.88 3nnk s SER 13 Cb -0.21 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.56 3nnk s SER 13 CO 0.36 -0.91 -0.06 -0.13 1.20 0.00 0.00 173.24 173.69 3nnk s ARG 14 N 2.72 0.89 -0.45 5.44 1.81 -1.26 -4.82 118.95 123.27 3nnk s ARG 14 Ca 0.75 -0.18 -0.19 0.00 -1.72 0.00 0.00 55.73 54.39 3nnk s ARG 14 Cb -0.41 -0.85 0.03 0.00 -0.45 0.00 0.00 34.95 33.27 3nnk s ARG 14 CO 0.33 -0.01 0.58 -1.17 -0.68 0.00 0.00 175.30 174.35 3nnk s LEU 15 N 0.63 4.72 -0.56 2.53 2.96 0.78 -4.90 118.68 124.85 3nnk s LEU 15 Ca -0.09 -0.58 -0.21 0.00 -0.22 0.00 0.00 54.13 53.03 3nnk s LEU 15 Cb -0.12 -2.56 0.06 0.00 0.50 0.00 0.00 46.19 44.07 3nnk s LEU 15 CO 0.01 -0.75 0.78 -0.76 -1.32 0.00 0.00 176.35 174.30 3nnk s LEU 16 N 2.57 4.70 -0.23 -0.68 1.43 -1.26 -1.44 118.68 123.77 3nnk s LEU 16 Ca 0.18 -0.86 0.13 0.00 -1.03 0.00 0.00 54.13 52.55 3nnk s LEU 16 Cb -0.16 -2.52 0.45 0.00 0.03 0.00 0.00 46.19 43.99 3nnk s LEU 16 CO 0.16 -1.10 1.18 0.23 0.23 0.00 0.00 176.35 177.04 3nnk n MET 17 N 6.79 2.38 0.00 1.70 2.81 0.78 -4.49 117.12 127.08 3nnk n MET 17 Ca -0.04 -3.60 0.00 0.00 -1.81 0.00 0.00 57.70 52.24 3nnk n MET 17 Cb 0.45 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 -0.68 2.51 0.12 3.03 0.00 -0.96 -0.98 105.19 108.24 3nnk n GLY 18 Ca 0.27 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.86 132.00 128.95 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 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 178.66 3nnk n GLY 20 N 1.28 4.26 3.76 1.56 0.00 -1.26 -4.91 105.19 109.88 3nnk n GLY 20 Ca -0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.21 1.52 0.36 1.61 0.04 -1.26 -5.15 135.00 128.91 3nnk s PRO 21 Ca 0.00 0.68 0.07 0.00 0.04 0.00 0.00 61.00 61.78 3nnk s PRO 21 Cb 0.00 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 3nnk s PRO 21 CO 0.00 -2.02 -0.02 0.96 0.04 0.00 0.00 177.00 175.96 3nnk s ILE 22 N -3.06 1.85 0.08 0.56 -5.25 -0.61 -4.82 121.20 109.94 3nnk s ILE 22 Ca 0.62 -2.07 -0.35 0.00 -0.99 0.00 0.00 60.65 57.87 3nnk s ILE 22 Cb -0.16 -2.79 -0.14 0.00 2.95 0.00 0.00 42.46 42.32 3nnk s ILE 22 CO 0.56 -0.10 1.59 0.59 -1.79 0.00 0.00 174.94 175.79 3nnk n ASN 23 N -0.81 2.84 -4.78 4.36 4.13 -1.26 -4.90 115.26 114.84 3nnk n ASN 23 Ca -0.05 1.07 -0.34 0.00 1.68 0.00 0.00 54.58 56.95 3nnk n ASN 23 Cb 0.65 -1.36 0.01 0.00 -1.54 0.00 0.00 39.78 37.55 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 1.51 2.67 0.15 5.41 0.00 -1.26 -4.45 121.76 125.78 3nnk s ALA 24 Ca 0.83 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 3nnk s ALA 24 Cb -0.75 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 18.97 3nnk s ALA 24 CO 0.43 -0.85 1.55 0.34 0.00 0.00 0.00 175.76 177.23 3nnk s ASP 25 N -2.25 6.62 0.49 0.00 -1.08 0.57 -4.92 116.67 116.11 3nnk s ASP 25 Ca 0.68 2.56 0.20 0.00 -0.52 0.00 0.00 52.55 55.47 3nnk s ASP 25 Cb -0.20 -2.59 1.23 0.00 -1.46 0.00 0.00 42.92 39.90 3nnk s ASP 25 CO 0.32 -0.81 2.00 -0.65 0.52 0.00 0.00 175.17 176.56 3nnk h PRO 26 N 6.94 0.16 0.00 4.34 0.11 -1.94 -0.01 132.00 141.60 3nnk h PRO 26 Ca -0.42 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 3nnk h PRO 26 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3nnk h PRO 26 CO 0.91 0.11 -0.37 0.00 -0.21 0.00 0.00 178.00 178.43 3nnk h ARG 27 N 0.17 0.00 -0.14 1.05 -0.00 -1.95 0.24 114.38 113.75 3nnk h ARG 27 Ca 0.24 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.68 3nnk h ARG 27 Cb 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.71 3nnk h ARG 27 CO -0.04 0.37 -0.08 0.28 0.00 0.00 0.00 179.97 180.51 3nnk h VAL 28 N 0.00 1.32 -0.46 2.04 2.07 -1.31 -2.51 116.25 117.40 3nnk h VAL 28 Ca -0.00 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.42 3nnk h VAL 28 Cb 0.76 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 3nnk h VAL 28 CO 0.05 0.33 0.23 -0.07 0.02 0.00 0.00 177.57 178.13 3nnk h LEU 29 N -0.04 0.33 -0.72 2.57 3.38 -1.15 -2.96 115.31 116.72 3nnk h LEU 29 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3nnk h LEU 29 Cb 0.56 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3nnk h LEU 29 CO 0.02 0.23 0.39 0.03 0.09 0.00 0.00 178.44 179.21 3nnk h ARG 30 N 0.46 1.01 0.00 1.13 3.08 -0.96 -2.24 114.38 116.86 3nnk h ARG 30 Ca 0.20 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3nnk h ARG 30 Cb 0.11 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3nnk h ARG 30 CO -0.14 0.76 -0.00 0.00 -1.07 0.00 0.00 179.97 179.51 3nnk h ALA 31 N 1.20 1.02 0.00 0.04 0.00 -1.29 -2.23 119.26 117.99 3nnk h ALA 31 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3nnk h ALA 31 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3nnk h ALA 31 CO -0.04 0.00 -0.12 0.52 0.00 0.00 0.00 179.25 179.61 3nnk h MET 32 N 0.00 0.00 0.00 0.00 2.86 -1.28 -3.16 114.93 113.35 3nnk h MET 32 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3nnk h MET 32 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3nnk h MET 32 CO 0.00 0.00 -0.11 -1.13 1.06 0.00 0.00 176.91 176.73 3nnk n SER 33 N -2.42 0.16 -4.77 1.22 3.41 -0.84 -4.91 113.62 105.46 3nnk n SER 33 Ca 0.05 0.36 -0.40 0.00 -0.26 0.00 0.00 58.87 58.61 3nnk n SER 33 Cb 0.46 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 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 -3.11 6.40 0.80 4.04 0.15 -1.19 -4.99 113.70 115.79 3nnk s SER 34 Ca 0.13 2.69 -0.13 0.00 0.70 0.00 0.00 55.95 59.34 3nnk s SER 34 Cb 0.18 -2.64 0.08 0.00 -1.71 0.00 0.00 66.02 61.93 3nnk s SER 34 CO 0.57 -0.79 1.17 0.00 1.20 0.00 0.00 173.24 175.39 3nnk s GLN 35 N -2.14 1.78 0.43 5.44 0.00 -1.26 -4.98 119.66 118.94 3nnk s GLN 35 Ca 0.55 1.60 -0.03 0.00 -0.00 0.00 0.00 55.36 57.47 3nnk s GLN 35 Cb -0.39 -1.81 -0.04 0.00 0.00 0.00 0.00 33.01 30.78 3nnk s GLN 35 CO 0.51 -2.07 0.70 -0.51 0.00 0.00 0.00 175.29 173.92 3nnk s LEU 36 N -5.75 3.77 0.34 2.60 1.43 -1.26 -5.07 118.68 114.74 3nnk s LEU 36 Ca 0.70 0.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 3nnk s LEU 36 Cb -0.25 -3.70 -0.07 0.00 0.03 0.00 0.00 46.19 42.21 3nnk s LEU 36 CO 0.51 -0.47 0.05 0.27 0.23 0.00 0.00 176.35 176.94 3nnk s ILE 37 N -2.58 1.32 0.79 -0.59 -0.00 -1.26 -5.15 121.20 113.72 3nnk s ILE 37 Ca 0.45 -2.00 -0.12 0.00 -0.00 0.00 0.00 60.65 58.98 3nnk s ILE 37 Cb -0.10 -2.82 0.07 0.00 -0.00 0.00 0.00 42.46 39.60 3nnk s ILE 37 CO 0.41 0.00 1.13 -0.83 -0.00 0.00 0.00 174.94 175.65 3nnk s GLY 38 N -3.53 1.87 0.24 6.27 0.00 -1.26 -4.94 107.32 105.97 3nnk s GLY 38 Ca 0.36 0.50 -0.05 0.00 0.00 0.00 0.00 44.72 45.54 3nnk s GLY 38 CO 0.16 0.88 1.77 -1.61 0.00 0.00 0.00 173.10 174.30 3nnk h GLN 39 N -1.01 0.58 -0.28 2.90 4.15 -2.01 -2.79 115.11 116.65 3nnk h GLN 39 Ca -0.45 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 58.80 3nnk h GLN 39 Cb 1.25 -0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.73 3nnk h GLN 39 CO 0.49 0.39 -0.14 0.66 -1.93 0.00 0.00 178.83 178.29 3nnk n TYR 40 N -4.87 0.87 -1.97 3.99 4.01 -1.26 -4.63 117.16 113.30 3nnk n TYR 40 Ca 0.13 -1.53 -0.41 0.00 -0.16 0.00 0.00 57.90 55.93 3nnk n TYR 40 Cb 0.33 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 38.91 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 -2.62 6.60 0.59 7.72 -1.08 -1.05 -4.87 116.67 121.95 3nnk s ASP 41 Ca 0.43 2.74 0.29 0.00 -0.52 0.00 0.00 52.55 55.49 3nnk s ASP 41 Cb 0.39 -2.63 1.54 0.00 -1.46 0.00 0.00 42.92 40.77 3nnk s ASP 41 CO -0.01 -0.72 1.98 -0.65 0.52 0.00 0.00 175.17 176.28 3nnk h PRO 42 N 4.65 0.00 -0.17 4.34 0.11 -1.94 0.16 132.00 139.15 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 0.75 0.00 -0.63 0.00 -0.21 0.00 0.00 178.00 177.91 3nnk h ALA 43 N 1.58 0.56 -0.11 -0.75 0.00 -1.95 -2.17 119.26 116.43 3nnk h ALA 43 Ca 0.16 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3nnk h ALA 43 Cb 0.90 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3nnk h ALA 43 CO -0.00 0.70 -0.06 1.98 0.00 0.00 0.00 179.25 181.87 3nnk h MET 44 N 0.46 0.24 -0.74 0.00 -1.53 -0.99 -1.13 114.93 111.23 3nnk h MET 44 Ca -0.01 -0.11 -0.03 0.00 -3.44 0.00 0.00 59.70 56.11 3nnk h MET 44 Cb 1.21 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.22 3nnk h MET 44 CO 0.12 0.60 0.35 1.79 0.14 0.00 0.00 176.91 179.91 3nnk h THR 45 N -0.13 1.24 -0.65 -0.77 1.35 -1.37 -0.97 112.91 111.61 3nnk h THR 45 Ca 0.02 -0.67 -0.07 0.00 -0.55 0.00 0.00 66.41 65.14 3nnk h THR 45 Cb 0.53 0.29 -0.03 0.00 -1.73 0.00 0.00 68.15 67.21 3nnk h THR 45 CO 0.02 0.28 0.12 -0.74 -0.25 0.00 0.00 175.52 174.95 3nnk h HIS 46 N 1.06 1.11 -0.45 4.73 6.17 -1.36 -1.41 115.15 125.00 3nnk h HIS 46 Ca 0.26 -0.14 -0.10 0.00 0.71 0.00 0.00 60.37 61.09 3nnk h HIS 46 Cb 0.11 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.72 3nnk h HIS 46 CO 0.01 0.93 -0.13 1.88 0.71 0.00 0.00 177.93 181.33 3nnk h TYR 47 N 0.99 0.92 -0.69 5.26 0.99 -0.65 -1.33 116.97 122.47 3nnk h TYR 47 Ca 0.20 -0.18 -0.06 0.00 2.00 0.00 0.00 58.73 60.70 3nnk h TYR 47 Cb 0.41 -0.23 -0.03 0.00 1.00 0.00 0.00 36.73 37.88 3nnk h TYR 47 CO 0.03 0.91 0.21 0.52 -0.00 0.00 0.00 178.16 179.83 3nnk h MET 48 N 0.74 1.07 -0.97 4.88 2.86 -1.04 -0.87 114.93 121.60 3nnk h MET 48 Ca 0.12 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3nnk h MET 48 Cb 0.64 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 3nnk h MET 48 CO 0.04 0.93 0.60 -0.91 1.06 0.00 0.00 176.91 178.63 3nnk h ASN 49 N 1.01 1.14 -0.27 1.22 -0.26 -1.00 -2.34 115.58 115.08 3nnk h ASN 49 Ca 0.22 -0.06 -0.05 0.00 -0.56 0.00 0.00 56.30 55.85 3nnk h ASN 49 Cb 0.30 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 3nnk h ASN 49 CO -0.01 0.86 -0.04 -0.33 -1.06 0.00 0.00 177.43 176.85 3nnk h GLU 50 N 1.32 0.51 -0.60 0.81 5.08 -0.99 -2.68 114.58 118.04 3nnk h GLU 50 Ca 0.35 -0.19 0.11 0.00 -1.00 0.00 0.00 59.36 58.63 3nnk h GLU 50 Cb -0.09 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.04 3nnk h GLU 50 CO -0.07 0.71 0.14 0.28 -1.00 0.00 0.00 179.01 179.07 3nnk h VAL 51 N 0.27 0.66 0.33 3.13 2.07 -0.99 0.23 116.25 121.96 3nnk h VAL 51 Ca 0.07 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3nnk h VAL 51 Cb 0.50 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3nnk h VAL 51 CO 0.02 0.05 -0.31 0.24 0.02 0.00 0.00 177.57 177.59 3nnk h MET 52 N 0.28 -0.64 -0.67 1.57 2.86 -1.37 -0.73 114.93 116.24 3nnk h MET 52 Ca 0.31 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 58.05 3nnk h MET 52 Cb 0.45 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 3nnk h MET 52 CO -0.39 -0.43 0.39 0.00 1.06 0.00 0.00 176.91 177.54 3nnk h ALA 53 N -0.13 0.90 -0.41 6.32 0.00 -1.08 -1.40 119.26 123.46 3nnk h ALA 53 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3nnk h ALA 53 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3nnk h ALA 53 CO -0.05 0.09 0.14 -0.07 0.00 0.00 0.00 179.25 179.35 3nnk h LEU 54 N 0.72 0.59 -0.63 0.00 3.38 -0.37 -2.92 115.31 116.09 3nnk h LEU 54 Ca 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3nnk h LEU 54 Cb 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3nnk h LEU 54 CO -0.16 0.63 0.00 1.88 0.09 0.00 0.00 178.44 180.88 3nnk h TYR 55 N 0.52 0.00 -0.60 1.13 0.05 -0.88 -2.42 116.97 114.77 3nnk h TYR 55 Ca 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 3nnk h TYR 55 Cb 0.24 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 3nnk h TYR 55 CO 0.01 0.00 0.35 0.00 -1.05 0.00 0.00 178.16 177.46 3nnk h ARG 56 N 0.00 0.83 -0.49 4.88 3.08 -1.07 -0.48 114.38 121.13 3nnk h ARG 56 Ca 0.00 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 3nnk h ARG 56 Cb 0.70 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3nnk h ARG 56 CO 0.00 0.61 -0.10 0.78 -1.07 0.00 0.00 179.97 180.20 3nnk h GLY 57 N 0.81 0.96 0.98 0.04 0.00 -1.37 -0.42 103.07 104.08 3nnk h GLY 57 Ca 0.21 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 3nnk h GLY 57 CO -0.04 0.68 -0.12 -2.08 0.00 0.00 0.00 176.54 174.98 3nnk h VAL 58 N 0.80 1.28 0.00 4.60 2.07 -1.23 -2.86 116.25 120.90 3nnk h VAL 58 Ca 0.13 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3nnk h VAL 58 Cb 0.61 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3nnk h VAL 58 CO 0.04 0.41 0.00 0.49 0.02 0.00 0.00 177.57 178.53 3nnk n PHE 59 N -4.32 0.83 -3.27 1.57 3.72 -0.21 -4.84 117.46 110.95 3nnk n PHE 59 Ca -0.01 0.26 -0.15 0.00 -0.05 0.00 0.00 57.45 57.49 3nnk n PHE 59 Cb 0.37 -0.92 0.08 0.00 -0.94 0.00 0.00 39.48 38.07 3nnk n PHE 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3nnk n ARG 60 N -2.19 -4.25 -4.10 -1.08 5.12 -0.61 -2.80 116.66 106.74 3nnk n ARG 60 Ca 0.05 0.82 -0.09 0.00 -1.93 0.00 0.00 57.85 56.71 3nnk n ARG 60 Cb 0.39 -5.69 -0.10 0.00 -1.16 0.00 0.00 32.46 25.90 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 -3.36 0.38 -1.60 0.55 -1.32 -0.27 -3.18 115.64 106.84 3nnk s THR 61 Ca 0.22 -1.73 0.18 0.00 -1.21 0.00 0.00 61.69 59.14 3nnk s THR 61 Cb -0.03 -1.41 0.46 0.00 -1.51 0.00 0.00 72.50 70.01 3nnk s THR 61 CO 0.70 -0.88 1.38 -0.62 -2.21 0.00 0.00 174.62 172.99 3nnk n GLU 62 N 0.26 2.66 -1.68 7.08 1.02 -1.26 -4.49 120.64 124.24 3nnk n GLU 62 Ca -0.15 -2.32 -0.45 0.00 -0.02 0.00 0.00 57.16 54.22 3nnk n GLU 62 Cb 0.60 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 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 1.15 3.72 -0.21 1.62 3.02 -1.26 -4.89 115.26 118.40 3nnk n ASN 63 Ca 0.18 0.97 0.00 0.00 -0.03 0.00 0.00 54.58 55.70 3nnk n ASN 63 Cb 0.53 -1.45 0.12 0.00 -0.61 0.00 0.00 39.78 38.36 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 9.14 0.45 -3.73 3.52 2.43 -1.96 -3.29 114.38 120.94 3nnk h ARG 64 Ca -0.48 -0.03 -0.76 0.00 -0.81 0.00 0.00 59.98 57.90 3nnk h ARG 64 Cb 1.25 -0.10 -0.19 0.00 -0.42 0.00 0.00 29.97 30.51 3nnk h ARG 64 CO 0.94 0.30 1.51 0.91 -1.51 0.00 0.00 179.97 182.12 3nnk n TRP 65 N -4.96 3.55 -3.99 2.20 7.02 -1.26 -4.90 117.44 115.11 3nnk n TRP 65 Ca 0.09 -3.00 -0.34 0.00 -1.02 0.00 0.00 57.50 53.23 3nnk n TRP 65 Cb 0.27 -1.87 -0.15 0.00 -2.42 0.00 0.00 31.31 27.15 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 0.00 2.74 0.04 -0.99 2.01 -1.24 -1.59 115.64 116.61 3nnk s THR 66 Ca 0.38 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 3nnk s THR 66 Cb 0.04 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.18 3nnk s THR 66 CO 0.01 0.23 0.06 1.15 -0.69 0.00 0.00 174.62 175.38 3nnk n MET 67 N 4.65 0.08 -4.78 4.92 0.00 -0.32 -4.29 117.12 117.38 3nnk n MET 67 Ca -0.17 -0.26 -0.31 0.00 0.00 0.00 0.00 57.70 56.96 3nnk n MET 67 Cb 0.47 0.27 -0.13 0.00 0.00 0.00 0.00 33.22 33.83 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 2.59 -0.21 3.17 1.43 -1.26 -0.41 118.68 123.99 3nnk s LEU 68 Ca 0.02 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 3nnk s LEU 68 Cb -0.00 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3nnk s LEU 68 CO 0.02 0.29 0.09 -0.69 0.23 0.00 0.00 176.35 176.29 3nnk s VAL 69 N -0.84 4.84 -1.05 -1.59 1.01 -0.01 -4.95 120.40 117.80 3nnk s VAL 69 Ca 0.13 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 3nnk s VAL 69 Cb -0.10 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.10 3nnk s VAL 69 CO 0.03 0.40 1.55 -1.81 0.00 0.00 0.00 175.10 175.27 3nnk s ASP 70 N 0.85 6.39 0.00 3.32 -0.00 -1.26 -1.62 116.67 124.34 3nnk s ASP 70 Ca 0.05 -1.53 0.00 0.00 -0.00 0.00 0.00 52.55 51.07 3nnk s ASP 70 Cb -0.13 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.22 3nnk s ASP 70 CO 0.02 -1.61 0.00 0.61 -0.00 0.00 0.00 175.17 174.19 3nnk n GLY 71 N 6.64 1.88 3.55 0.21 0.00 -1.19 -4.99 105.19 111.30 3nnk n GLY 71 Ca 0.36 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 0.28 2.61 -4.23 -1.26 -2.09 115.64 110.95 3nnk s THR 72 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 3nnk s THR 72 Cb 0.00 -2.23 0.34 0.00 1.34 0.00 0.00 72.50 71.95 3nnk s THR 72 CO 0.00 -0.00 1.62 0.28 -0.54 0.00 0.00 174.62 175.98 3nnk h SER 73 N -2.40 -0.30 0.66 3.99 0.02 -1.82 0.13 113.55 113.83 3nnk h SER 73 Ca -0.60 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3nnk h SER 73 Cb 1.34 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.25 3nnk h SER 73 CO 0.54 -0.23 0.00 -2.11 -1.14 0.00 0.00 176.83 173.88 3nnk n ARG 74 N -5.36 0.01 0.06 3.45 1.85 -1.26 -2.12 116.66 113.28 3nnk n ARG 74 Ca 0.19 0.18 -0.12 0.00 -1.00 0.00 0.00 57.85 57.11 3nnk n ARG 74 Cb 0.63 -1.51 -0.01 0.00 -1.05 0.00 0.00 32.46 30.52 3nnk n ARG 74 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3nnk h ALA 75 N 2.64 0.47 -0.33 2.89 0.00 -1.04 -1.83 119.26 122.05 3nnk h ALA 75 Ca 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 3nnk h ALA 75 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3nnk h ALA 75 CO 0.00 0.79 -0.27 0.78 0.00 0.00 0.00 179.25 180.55 3nnk h GLY 76 N 1.25 0.72 0.88 0.00 0.00 -1.48 0.74 103.07 105.17 3nnk h GLY 76 Ca -0.06 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 3nnk h GLY 76 CO 0.15 0.58 0.06 -2.22 0.00 0.00 0.00 176.54 175.11 3nnk h ILE 77 N 0.58 1.16 -0.62 2.60 2.04 -1.50 -2.41 117.51 119.35 3nnk h ILE 77 Ca 0.07 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 3nnk h ILE 77 Cb 0.76 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3nnk h ILE 77 CO 0.06 0.15 0.18 -0.08 0.00 0.00 0.00 178.15 178.47 3nnk h GLU 78 N 0.11 0.98 -0.26 2.37 4.81 -1.21 -1.20 114.58 120.18 3nnk h GLU 78 Ca 0.05 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3nnk h GLU 78 Cb 0.18 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 3nnk h GLU 78 CO -0.00 0.87 0.02 0.00 -0.73 0.00 0.00 179.01 179.17 3nnk h ALA 79 N 1.06 0.25 -0.44 2.92 0.00 -0.78 0.32 119.26 122.59 3nnk h ALA 79 Ca 0.20 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3nnk h ALA 79 Cb 0.31 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3nnk h ALA 79 CO -0.00 -0.39 -0.08 0.82 0.00 0.00 0.00 179.25 179.59 3nnk h ILE 80 N 0.11 1.27 0.10 0.00 2.04 -1.36 -2.42 117.51 117.25 3nnk h ILE 80 Ca 0.12 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3nnk h ILE 80 Cb 0.14 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3nnk h ILE 80 CO -0.19 0.40 -0.05 -0.07 0.00 0.00 0.00 178.15 178.25 3nnk h LEU 81 N 0.68 -0.12 -1.45 1.44 3.38 -0.80 -0.64 115.31 117.80 3nnk h LEU 81 Ca 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3nnk h LEU 81 Cb 0.62 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3nnk h LEU 81 CO 0.04 0.18 0.29 0.58 0.09 0.00 0.00 178.44 179.62 3nnk h VAL 82 N -0.43 1.14 -0.19 1.22 2.07 -0.45 0.16 116.25 119.78 3nnk h VAL 82 Ca -0.01 -0.32 -0.21 0.00 0.82 0.00 0.00 66.70 66.97 3nnk h VAL 82 Cb 0.35 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3nnk h VAL 82 CO 0.02 0.15 -0.72 0.28 0.02 0.00 0.00 177.57 177.33 3nnk h SER 83 N 0.67 0.95 0.86 0.57 0.02 -1.34 -3.33 113.55 111.95 3nnk h SER 83 Ca 0.18 -0.59 -0.20 0.00 -0.84 0.00 0.00 61.79 60.33 3nnk h SER 83 Cb -0.02 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 3nnk h SER 83 CO -0.03 1.39 -1.23 0.00 -1.14 0.00 0.00 176.83 175.82 3nnk h ALA 84 N 0.60 0.62 -2.58 3.77 0.00 -0.80 -3.44 119.26 117.42 3nnk h ALA 84 Ca -0.03 -0.97 -0.70 0.00 0.00 0.00 0.00 54.91 53.21 3nnk h ALA 84 Cb 1.34 0.16 -0.20 0.00 0.00 0.00 0.00 17.79 19.10 3nnk h ALA 84 CO 0.15 1.15 -0.42 0.42 0.00 0.00 0.00 179.25 180.55 3nnk s ILE 85 N -2.78 5.25 0.51 0.00 1.01 0.54 -5.05 121.20 120.67 3nnk s ILE 85 Ca -0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 3nnk s ILE 85 Cb 0.09 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 3nnk s ILE 85 CO 0.81 -0.18 0.90 -0.13 0.00 0.00 0.00 174.94 176.33 3nnk s ARG 86 N 1.77 3.73 0.17 2.79 3.00 -1.26 -4.77 118.95 124.37 3nnk s ARG 86 Ca 0.07 0.62 -0.34 0.00 0.00 0.00 0.00 55.73 56.08 3nnk s ARG 86 Cb -0.18 -2.24 -0.14 0.00 0.00 0.00 0.00 34.95 32.39 3nnk s ARG 86 CO 0.11 -0.27 1.56 -2.30 0.00 0.00 0.00 175.30 174.39 3nnk n PRO 87 N -1.94 2.11 0.00 3.54 -0.02 -1.26 -2.46 135.00 134.97 3nnk n PRO 87 Ca 0.04 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3nnk n PRO 87 Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 3.28 3.16 3.75 -1.23 0.00 -0.90 -5.02 105.19 108.22 3nnk n GLY 88 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3nnk n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nnk n ASP 89 N 0.00 2.71 -4.83 1.61 8.00 -1.03 -4.31 116.55 118.69 3nnk n ASP 89 Ca 0.00 0.97 -0.36 0.00 0.71 0.00 0.00 54.79 56.11 3nnk n ASP 89 Cb 0.00 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.12 39.46 3nnk n ASP 89 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3nnk s LYS 90 N -2.94 4.07 -0.02 -1.24 1.02 -1.26 -0.84 119.74 118.53 3nnk s LYS 90 Ca 0.73 0.62 0.00 0.00 0.02 0.00 0.00 55.97 57.33 3nnk s LYS 90 Cb -0.41 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 3nnk s LYS 90 CO 0.48 0.46 0.02 0.08 -0.92 0.00 0.00 175.35 175.47 3nnk s VAL 91 N -1.47 -0.03 -0.21 3.17 1.01 -0.59 -0.89 120.40 121.38 3nnk s VAL 91 Ca 0.39 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 3nnk s VAL 91 Cb -0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 3nnk s VAL 91 CO 0.20 0.07 -0.07 -0.22 0.00 0.00 0.00 175.10 175.08 3nnk s LEU 92 N 0.81 2.75 -0.24 3.92 2.96 -0.33 -0.14 118.68 128.41 3nnk s LEU 92 Ca -0.07 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3nnk s LEU 92 Cb -0.10 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.93 3nnk s LEU 92 CO -0.02 -0.02 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.22 3nnk s VAL 93 N 1.44 2.79 -0.63 1.68 1.01 -0.06 -0.52 120.40 126.11 3nnk s VAL 93 Ca 0.06 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 3nnk s VAL 93 Cb -0.14 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.89 3nnk s VAL 93 CO -0.05 0.25 1.14 -2.84 0.00 0.00 0.00 175.10 173.60 3nnk s PRO 94 N 1.33 3.33 -0.27 2.72 0.02 -1.25 -1.77 135.00 139.12 3nnk s PRO 94 Ca 0.01 -0.12 -0.21 0.00 0.02 0.00 0.00 61.00 60.69 3nnk s PRO 94 Cb -0.16 -4.10 -0.01 0.00 0.02 0.00 0.00 34.50 30.25 3nnk s PRO 94 CO -0.05 -1.80 0.67 0.08 -0.33 0.00 0.00 177.00 175.57 3nnk s VAL 95 N 4.89 4.93 -0.05 3.83 1.01 0.37 -4.70 120.40 130.69 3nnk s VAL 95 Ca 0.36 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.54 3nnk s VAL 95 Cb -0.10 -4.00 0.10 0.00 0.00 0.00 0.00 36.38 32.39 3nnk s VAL 95 CO 0.19 -0.05 0.99 2.22 0.00 0.00 0.00 175.10 178.45 3nnk n PHE 96 N 5.84 0.00 -1.54 5.22 1.16 -1.26 -3.01 117.46 123.87 3nnk n PHE 96 Ca 0.01 -0.42 0.00 0.00 -1.87 0.00 0.00 57.45 55.17 3nnk n PHE 96 Cb 0.49 -0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 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 -0.57 -1.31 0.37 4.97 0.00 -1.26 -4.63 105.19 102.75 3nnk n GLY 97 Ca 0.06 -0.96 0.07 0.00 0.00 0.00 0.00 46.02 45.19 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 0.89 0.00 1.61 1.12 -1.95 -2.36 114.38 113.68 3nnk h ARG 98 Ca 0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 3nnk h ARG 98 Cb 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 29.76 3nnk h ARG 98 CO 0.00 0.59 0.00 1.19 -3.11 0.00 0.00 179.97 178.64 3nnk n PHE 99 N -4.53 0.95 -0.06 2.20 3.72 -1.26 -2.16 117.46 116.33 3nnk n PHE 99 Ca 0.16 0.29 -0.09 0.00 -0.05 0.00 0.00 57.45 57.75 3nnk n PHE 99 Cb 0.30 -0.98 0.06 0.00 -0.94 0.00 0.00 39.48 37.92 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 4.06 0.79 1.36 1.37 0.00 -1.77 -2.69 103.07 106.19 3nnk h GLY 100 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 3nnk h GLY 100 CO 0.00 0.71 -0.03 0.45 0.00 0.00 0.00 176.54 177.67 3nnk h HIS 101 N 0.60 0.83 -0.43 5.60 3.86 -1.43 -2.43 115.15 121.75 3nnk h HIS 101 Ca 0.05 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3nnk h HIS 101 Cb 0.92 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 3nnk h HIS 101 CO 0.05 0.78 0.28 1.25 0.86 0.00 0.00 177.93 181.14 3nnk h LEU 102 N 0.72 0.50 -0.87 2.43 5.85 -1.42 -2.11 115.31 120.40 3nnk h LEU 102 Ca 0.14 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.91 3nnk h LEU 102 Cb 0.48 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 3nnk h LEU 102 CO 0.02 0.38 0.53 -0.07 -0.34 0.00 0.00 178.44 178.96 3nnk h LEU 103 N 0.58 0.79 -0.48 2.25 3.38 -1.25 -1.85 115.31 118.73 3nnk h LEU 103 Ca 0.16 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3nnk h LEU 103 Cb -0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3nnk h LEU 103 CO -0.03 0.47 0.31 0.00 0.09 0.00 0.00 178.44 179.28 3nnk h GLU 105 N 0.64 0.22 -0.72 0.00 4.39 -0.92 -0.35 114.58 117.83 3nnk h GLU 105 Ca 0.18 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.84 3nnk h GLU 105 Cb -0.06 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 3nnk h GLU 105 CO -0.04 0.43 0.45 0.82 -1.16 0.00 0.00 179.01 179.51 3nnk h ILE 106 N -0.03 1.11 -0.96 3.13 2.04 -1.33 -0.23 117.51 121.23 3nnk h ILE 106 Ca 0.04 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.61 3nnk h ILE 106 Cb 0.33 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 3nnk h ILE 106 CO 0.00 0.16 0.63 0.00 0.00 0.00 0.00 178.15 178.95 3nnk h ALA 107 N 1.30 1.34 -0.45 1.87 0.00 -1.16 -1.51 119.26 120.65 3nnk h ALA 107 Ca 0.29 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3nnk h ALA 107 Cb 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3nnk h ALA 107 CO -0.11 0.60 -0.02 -0.09 0.00 0.00 0.00 179.25 179.64 3nnk h ARG 108 N 1.27 0.81 -0.00 0.00 2.43 0.11 -2.07 114.38 116.93 3nnk h ARG 108 Ca 0.36 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3nnk h ARG 108 Cb -0.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3nnk h ARG 108 CO -0.09 0.88 -0.25 0.00 -1.51 0.00 0.00 179.97 178.99 3nnk h ARG 109 N 0.65 0.00 0.00 0.20 2.47 -0.88 -0.72 114.38 116.10 3nnk h ARG 109 Ca 0.13 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3nnk h ARG 109 Cb 0.52 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 3nnk h ARG 109 CO 0.03 0.26 0.00 0.00 0.56 0.00 0.00 179.97 180.81 3nnk n ARG 111 N -1.17 -0.57 -1.90 0.00 1.74 -0.28 -4.29 116.66 110.19 3nnk n ARG 111 Ca 0.12 0.42 -0.31 0.00 -0.77 0.00 0.00 57.85 57.31 3nnk n ARG 111 Cb 0.12 -4.32 0.02 0.00 -1.02 0.00 0.00 32.46 27.26 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 -2.35 3.08 -0.47 7.54 0.00 -0.81 -2.13 121.76 126.62 3nnk s ALA 112 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.59 3nnk s ALA 112 Cb 0.00 -3.05 0.03 0.00 0.00 0.00 0.00 23.12 20.10 3nnk s ALA 112 CO 0.00 -0.75 0.75 -2.00 0.00 0.00 0.00 175.76 173.76 3nnk s GLU 113 N -5.20 3.33 -0.32 0.00 2.12 -0.02 -4.74 118.70 113.87 3nnk s GLU 113 Ca 0.55 -0.29 -0.14 0.00 0.36 0.00 0.00 54.97 55.45 3nnk s GLU 113 Cb -0.11 -3.98 -0.02 0.00 0.26 0.00 0.00 34.13 30.28 3nnk s GLU 113 CO 0.53 -1.16 0.31 0.08 -0.54 0.00 0.00 175.26 174.49 3nnk s VAL 114 N 3.20 5.21 -0.11 3.70 1.01 -1.26 -1.55 120.40 130.60 3nnk s VAL 114 Ca 0.26 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 3nnk s VAL 114 Cb -0.13 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3nnk s VAL 114 CO 0.20 0.03 0.00 -1.00 0.00 0.00 0.00 175.10 174.33 3nnk s HIS 115 N 1.93 3.15 0.10 5.22 3.76 0.81 -4.99 115.29 125.27 3nnk s HIS 115 Ca 0.11 0.10 0.07 0.00 -0.15 0.00 0.00 55.06 55.19 3nnk s HIS 115 Cb -0.16 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 3nnk s HIS 115 CO 0.11 0.35 -0.19 0.95 -0.85 0.00 0.00 174.74 175.11 3nnk s THR 116 N -0.53 1.57 0.02 1.30 -4.23 -1.26 -0.89 115.64 111.62 3nnk s THR 116 Ca 0.09 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 3nnk s THR 116 Cb -0.12 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 3nnk s THR 116 CO 0.02 -0.11 -0.12 0.27 -0.54 0.00 0.00 174.62 174.14 3nnk s ILE 117 N -1.22 0.95 -0.00 2.99 -4.36 -0.73 -4.95 121.20 113.88 3nnk s ILE 117 Ca 0.05 -0.78 0.06 0.00 -0.26 0.00 0.00 60.65 59.72 3nnk s ILE 117 Cb -0.10 -0.85 -0.02 0.00 1.25 0.00 0.00 42.46 42.75 3nnk s ILE 117 CO 0.04 0.07 -0.18 -1.61 0.24 0.00 0.00 174.94 173.50 3nnk s GLU 118 N -0.80 1.39 0.26 0.37 2.02 -1.26 -0.47 118.70 120.19 3nnk s GLU 118 Ca 0.02 -0.68 0.11 0.00 0.02 0.00 0.00 54.97 54.43 3nnk s GLU 118 Cb -0.06 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.75 3nnk s GLU 118 CO 0.00 0.37 -0.12 0.14 0.02 0.00 0.00 175.26 175.68 3nnk s VAL 119 N -0.50 2.92 0.64 2.63 -7.23 -1.17 -5.02 120.40 112.69 3nnk s VAL 119 Ca 0.06 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 3nnk s VAL 119 Cb -0.07 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 3nnk s VAL 119 CO -0.00 -0.33 1.06 -2.16 -0.31 0.00 0.00 175.10 173.36 3nnk s PRO 120 N -3.42 3.09 -0.01 4.82 0.04 -1.26 -4.63 135.00 133.62 3nnk s PRO 120 Ca 0.29 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 3nnk s PRO 120 Cb -0.06 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3nnk s PRO 120 CO 0.16 -0.99 1.41 -1.58 0.04 0.00 0.00 177.00 176.04 3nnk s TRP 121 N -2.67 2.79 -0.45 0.56 0.52 -1.26 0.37 118.94 118.80 3nnk s TRP 121 Ca 0.62 0.79 0.03 0.00 0.02 0.00 0.00 56.10 57.56 3nnk s TRP 121 Cb -0.16 -3.67 0.12 0.00 -1.15 0.00 0.00 33.47 28.62 3nnk s TRP 121 CO 0.44 -2.50 0.21 0.20 0.02 0.00 0.00 176.95 175.32 3nnk s GLY 122 N 1.99 2.05 0.47 0.98 0.00 -1.26 -5.03 107.32 106.52 3nnk s GLY 122 Ca 0.64 -2.85 0.06 0.00 0.00 0.00 0.00 44.72 42.56 3nnk s GLY 122 CO 0.26 1.19 0.24 -0.54 0.00 0.00 0.00 173.10 174.24 3nnk s GLU 123 N 0.22 2.25 0.17 2.90 2.02 0.16 -3.28 118.70 123.14 3nnk s GLU 123 Ca 0.16 -1.96 0.09 0.00 0.02 0.00 0.00 54.97 53.28 3nnk s GLU 123 Cb -0.24 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 3nnk s GLU 123 CO -0.03 -0.32 -0.20 0.54 0.02 0.00 0.00 175.26 175.27 3nnk s VAL 124 N -2.69 1.98 0.25 2.63 0.11 -1.26 -4.88 120.40 116.55 3nnk s VAL 124 Ca 0.34 -1.94 -0.29 0.00 -2.93 0.00 0.00 61.98 57.16 3nnk s VAL 124 Cb 0.01 -1.92 -0.09 0.00 -1.53 0.00 0.00 36.38 32.85 3nnk s VAL 124 CO 0.20 -0.24 0.95 -0.36 -3.33 0.00 0.00 175.10 172.32 3nnk s PHE 125 N -1.88 3.93 0.27 1.54 0.08 -1.26 -5.04 117.98 115.63 3nnk s PHE 125 Ca 0.17 1.89 -0.23 0.00 0.12 0.00 0.00 56.93 58.88 3nnk s PHE 125 Cb -0.07 -2.99 -0.09 0.00 -0.57 0.00 0.00 43.02 39.30 3nnk s PHE 125 CO 0.08 0.38 0.84 0.99 -0.10 0.00 0.00 175.22 177.40 3nnk s THR 126 N -1.23 4.38 0.28 0.64 2.01 -1.26 -4.83 115.64 115.63 3nnk s THR 126 Ca 0.42 1.58 0.02 0.00 0.31 0.00 0.00 61.69 64.02 3nnk s THR 126 Cb -0.25 -3.95 0.27 0.00 0.01 0.00 0.00 72.50 68.58 3nnk s THR 126 CO 0.31 0.19 1.76 -0.65 -0.69 0.00 0.00 174.62 175.54 3nnk h PRO 127 N 3.33 0.64 -0.76 4.92 0.11 -1.95 -2.22 132.00 136.06 3nnk h PRO 127 Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3nnk h PRO 127 Cb 1.19 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3nnk h PRO 127 CO 0.65 0.42 0.30 -0.44 -0.21 0.00 0.00 178.00 178.72 3nnk h ASP 128 N 0.66 1.05 -0.74 -2.05 3.32 -1.98 -1.94 116.42 114.74 3nnk h ASP 128 Ca 0.52 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.48 3nnk h ASP 128 Cb 0.79 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 3nnk h ASP 128 CO -0.39 0.93 0.41 1.56 -1.72 0.00 0.00 179.24 180.04 3nnk h GLN 129 N 1.11 0.71 0.07 3.56 4.20 -1.80 -0.65 115.11 122.31 3nnk h GLN 129 Ca 0.25 -0.04 -0.28 0.00 0.06 0.00 0.00 58.65 58.64 3nnk h GLN 129 Cb 0.22 -0.16 0.02 0.00 0.30 0.00 0.00 27.48 27.86 3nnk h GLN 129 CO -0.02 0.47 -1.15 -0.39 -0.67 0.00 0.00 178.83 177.07 3nnk h VAL 130 N 0.74 1.29 -0.64 -0.54 -1.51 -1.40 -2.72 116.25 111.47 3nnk h VAL 130 Ca 0.34 -2.39 -0.02 0.00 -1.23 0.00 0.00 66.70 63.40 3nnk h VAL 130 Cb 0.25 2.56 -0.03 0.00 -2.13 0.00 0.00 31.29 31.94 3nnk h VAL 130 CO -0.21 0.73 0.31 -0.08 -1.23 0.00 0.00 177.57 177.10 3nnk h GLU 131 N 0.32 0.91 -0.62 5.19 4.81 -1.19 0.38 114.58 124.38 3nnk h GLU 131 Ca -0.16 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3nnk h GLU 131 Cb 1.81 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.98 3nnk h GLU 131 CO 0.22 0.72 0.36 -0.44 -0.73 0.00 0.00 179.01 179.13 3nnk h ASP 132 N 0.87 0.55 -0.53 1.04 3.45 -1.19 -1.21 116.42 119.40 3nnk h ASP 132 Ca 0.22 0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.60 3nnk h ASP 132 Cb 0.10 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 3nnk h ASP 132 CO -0.03 0.37 -0.06 0.00 -1.57 0.00 0.00 179.24 177.95 3nnk h ALA 133 N 1.30 0.72 -0.85 3.45 0.00 -1.06 -2.53 119.26 120.30 3nnk h ALA 133 Ca 0.27 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3nnk h ALA 133 Cb 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3nnk h ALA 133 CO -0.15 0.60 0.55 0.28 0.00 0.00 0.00 179.25 180.53 3nnk h VAL 134 N 0.85 1.15 -0.54 0.00 2.07 0.05 -2.80 116.25 117.03 3nnk h VAL 134 Ca 0.14 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3nnk h VAL 134 Cb 0.61 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3nnk h VAL 134 CO 0.04 0.20 -0.10 0.11 0.02 0.00 0.00 177.57 177.84 3nnk h LYS 135 N 1.08 1.02 -0.22 1.57 1.57 -1.10 -2.28 116.57 118.21 3nnk h LYS 135 Ca 0.33 -0.37 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 3nnk h LYS 135 Cb -0.02 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3nnk h LYS 135 CO -0.11 1.05 -0.63 0.00 -0.57 0.00 0.00 179.45 179.20 3nnk h ARG 136 N 0.90 0.77 0.00 3.15 3.08 -1.20 -3.36 114.38 117.72 3nnk h ARG 136 Ca 0.14 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 3nnk h ARG 136 Cb 0.66 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 3nnk h ARG 136 CO 0.05 1.16 -1.57 0.44 -1.07 0.00 0.00 179.97 178.97 3nnk n ILE 137 N -3.97 0.04 -3.15 2.04 -0.00 -1.11 -5.08 119.36 108.14 3nnk n ILE 137 Ca -0.05 -0.29 -0.08 0.00 -0.00 0.00 0.00 62.75 62.32 3nnk n ILE 137 Cb 0.66 0.17 0.01 0.00 -0.00 0.00 0.00 39.64 40.48 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 -1.95 -1.66 -2.90 6.28 3.00 -0.86 -5.02 116.66 113.54 3nnk n ARG 138 Ca -0.03 1.54 -0.24 0.00 -0.01 0.00 0.00 57.85 59.11 3nnk n ARG 138 Cb 0.35 -4.98 0.01 0.00 0.00 0.00 0.00 32.46 27.84 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 -3.15 3.09 0.09 5.56 0.04 -1.26 -4.87 135.00 134.50 3nnk s PRO 139 Ca 0.09 -0.37 0.01 0.00 0.04 0.00 0.00 61.00 60.77 3nnk s PRO 139 Cb -0.02 -2.51 -0.25 0.00 0.04 0.00 0.00 34.50 31.76 3nnk s PRO 139 CO 0.79 -0.30 1.16 -0.09 0.04 0.00 0.00 177.00 178.60 3nnk h ARG 140 N 0.33 0.14 -4.84 4.56 2.43 -1.39 -3.44 114.38 112.17 3nnk h ARG 140 Ca -0.46 -0.25 -0.45 0.00 -0.81 0.00 0.00 59.98 58.01 3nnk h ARG 140 Cb 1.25 0.09 -0.30 0.00 -0.42 0.00 0.00 29.97 30.59 3nnk h ARG 140 CO 0.58 1.09 -0.80 -0.51 -1.51 0.00 0.00 179.97 178.83 3nnk s LEU 141 N -6.91 1.89 -0.39 3.80 2.01 -1.19 -1.05 118.68 116.84 3nnk s LEU 141 Ca -0.02 -0.22 -0.11 0.00 0.01 0.00 0.00 54.13 53.79 3nnk s LEU 141 Cb 0.08 -0.62 0.04 0.00 0.01 0.00 0.00 46.19 45.70 3nnk s LEU 141 CO 0.85 0.10 0.24 -0.22 1.01 0.00 0.00 176.35 178.33 3nnk s LEU 142 N 0.01 4.90 -0.42 1.79 2.96 0.80 -1.19 118.68 127.53 3nnk s LEU 142 Ca -0.00 -1.10 -0.13 0.00 -0.22 0.00 0.00 54.13 52.68 3nnk s LEU 142 Cb -0.07 -2.04 0.05 0.00 0.50 0.00 0.00 46.19 44.62 3nnk s LEU 142 CO 0.00 -0.44 0.29 -0.76 -1.32 0.00 0.00 176.35 174.12 3nnk s LEU 143 N 1.55 5.14 0.20 -0.68 1.43 0.32 -1.92 118.68 124.72 3nnk s LEU 143 Ca 0.02 -1.16 0.11 0.00 -1.03 0.00 0.00 54.13 52.07 3nnk s LEU 143 Cb -0.20 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3nnk s LEU 143 CO 0.06 -0.50 -0.18 0.42 0.23 0.00 0.00 176.35 176.38 3nnk s THR 144 N 1.58 2.67 -0.12 5.49 -4.23 -1.06 -3.78 115.64 116.19 3nnk s THR 144 Ca 0.03 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 58.54 3nnk s THR 144 Cb -0.21 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 3nnk s THR 144 CO 0.07 -0.15 0.09 -0.69 -0.54 0.00 0.00 174.62 173.39 3nnk s VAL 145 N -1.78 5.04 0.00 2.29 1.01 -1.26 -1.39 120.40 124.31 3nnk s VAL 145 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3nnk s VAL 145 Cb -0.08 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3nnk s VAL 145 CO 0.12 0.58 0.03 1.67 0.00 0.00 0.00 175.10 177.51 3nnk n GLN 146 N 2.36 0.00 -3.60 2.72 7.27 -0.85 -4.58 117.38 120.71 3nnk n GLN 146 Ca -0.19 0.38 -0.40 0.00 0.07 0.00 0.00 57.00 56.86 3nnk n GLN 146 Cb 0.54 -0.90 -0.11 0.00 2.41 0.00 0.00 30.24 32.18 3nnk n GLN 146 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3nnk s GLY 147 N -1.72 1.92 -0.44 1.69 0.00 -1.26 -0.53 107.32 106.97 3nnk s GLY 147 Ca 0.00 -1.61 -0.16 0.00 0.00 0.00 0.00 44.72 42.94 3nnk s GLY 147 CO 0.00 0.81 0.41 -0.35 0.00 0.00 0.00 173.10 173.97 3nnk s ASP 148 N 1.59 6.16 0.54 1.64 -1.08 -0.76 -4.46 116.67 120.30 3nnk s ASP 148 Ca 0.03 -0.94 0.23 0.00 -0.52 0.00 0.00 52.55 51.35 3nnk s ASP 148 Cb -0.18 -2.20 1.48 0.00 -1.46 0.00 0.00 42.92 40.55 3nnk s ASP 148 CO 0.07 -0.60 2.16 0.71 0.52 0.00 0.00 175.17 178.03 3nnk h THR 149 N 5.72 0.77 0.00 1.71 1.35 -1.94 0.78 112.91 121.30 3nnk h THR 149 Ca -0.27 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 3nnk h THR 149 Cb 1.11 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3nnk h THR 149 CO 0.82 0.04 -0.05 0.77 -0.25 0.00 0.00 175.52 176.86 3nnk h SER 150 N 0.00 0.00 0.00 5.36 4.64 -1.97 -3.03 113.55 118.55 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 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3nnk h SER 150 CO 0.01 0.05 -0.04 0.35 -0.87 0.00 0.00 176.83 176.32 3nnk n THR 151 N -3.30 0.00 -1.53 2.95 -2.24 -0.95 -4.92 114.28 104.29 3nnk n THR 151 Ca -0.01 -0.41 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 3nnk n THR 151 Cb 0.21 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.90 -0.07 -3.83 4.28 -2.24 0.23 -4.83 114.28 106.92 3nnk n THR 152 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 3nnk n THR 152 Cb 0.00 -1.65 -0.05 0.00 -2.10 0.00 0.00 70.33 66.52 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 -3.43 3.51 -0.26 -0.78 -1.94 -1.16 -1.26 119.30 113.98 3nnk s MET 153 Ca 0.00 -0.15 -0.02 0.00 -1.71 0.00 0.00 55.69 53.82 3nnk s MET 153 Cb 0.00 -3.12 0.03 0.00 2.01 0.00 0.00 34.83 33.75 3nnk s MET 153 CO 0.00 0.69 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.49 3nnk s LEU 154 N -1.60 3.34 -0.10 -0.03 1.98 0.19 -1.82 118.68 120.63 3nnk s LEU 154 Ca 0.24 -0.94 -0.30 0.00 -2.89 0.00 0.00 54.13 50.24 3nnk s LEU 154 Cb -0.13 -1.68 -0.02 0.00 0.66 0.00 0.00 46.19 45.03 3nnk s LEU 154 CO 0.14 -0.15 1.12 -1.58 -1.89 0.00 0.00 176.35 173.98 3nnk s GLN 155 N 1.32 4.36 -0.02 1.98 2.00 0.31 -4.80 119.66 124.81 3nnk s GLN 155 Ca -0.01 1.53 -0.30 0.00 -2.00 0.00 0.00 55.36 54.59 3nnk s GLN 155 Cb -0.17 -3.58 -0.05 0.00 0.80 0.00 0.00 33.01 30.01 3nnk s GLN 155 CO -0.04 -0.44 1.46 -2.14 -0.50 0.00 0.00 175.29 173.64 3nnk s PRO 156 N 2.34 4.25 -0.12 1.67 0.02 -1.26 -4.84 135.00 137.06 3nnk s PRO 156 Ca 0.52 2.02 0.19 0.00 0.02 0.00 0.00 61.00 63.74 3nnk s PRO 156 Cb -0.21 -3.66 -0.28 0.00 0.02 0.00 0.00 34.50 30.37 3nnk s PRO 156 CO 0.18 -0.65 0.24 1.28 -0.33 0.00 0.00 177.00 177.72 3nnk n LEU 157 N 5.80 0.00 -0.11 -5.54 4.32 -1.26 -4.62 117.00 115.60 3nnk n LEU 157 Ca 0.14 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.03 3nnk n LEU 157 Cb 0.43 0.27 -0.05 0.00 -1.62 0.00 0.00 43.42 42.45 3nnk n LEU 157 CO 0.59 0.27 0.57 0.00 -1.22 0.00 0.00 177.39 177.61 3nnk h ALA 158 N 1.38 -0.47 0.00 -1.18 0.00 -1.91 -1.61 119.26 115.48 3nnk h ALA 158 Ca -0.30 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3nnk h ALA 158 Cb 1.66 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 20.33 3nnk h ALA 158 CO 0.02 -0.88 -0.26 0.93 0.00 0.00 0.00 179.25 179.05 3nnk h GLU 159 N -0.35 0.00 -0.03 0.00 5.08 -1.94 -2.13 114.58 115.20 3nnk h GLU 159 Ca 0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3nnk h GLU 159 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3nnk h GLU 159 CO -0.55 0.26 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.20 3nnk h LEU 160 N 0.00 0.08 -0.27 1.33 4.07 -1.58 -2.57 115.31 116.38 3nnk h LEU 160 Ca -0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 3nnk h LEU 160 Cb 0.62 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 3nnk h LEU 160 CO 0.03 0.53 0.03 1.23 -1.08 0.00 0.00 178.44 179.18 3nnk h GLY 161 N 1.35 0.49 0.56 0.83 0.00 -0.67 0.41 103.07 106.04 3nnk h GLY 161 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.08 3nnk h GLY 161 CO 0.06 0.31 0.46 0.83 0.00 0.00 0.00 176.54 178.20 3nnk h GLU 162 N 0.25 0.76 -0.38 4.80 4.39 -1.47 -1.75 114.58 121.19 3nnk h GLU 162 Ca 0.08 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3nnk h GLU 162 Cb 0.36 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3nnk h GLU 162 CO 0.01 0.51 0.09 0.82 -1.16 0.00 0.00 179.01 179.27 3nnk h ILE 163 N 0.79 1.23 -0.47 3.13 2.04 -1.24 -2.95 117.51 120.04 3nnk h ILE 163 Ca 0.38 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3nnk h ILE 163 Cb 0.33 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3nnk h ILE 163 CO -0.23 0.27 0.26 0.00 0.00 0.00 0.00 178.15 178.44 3nnk n ARG 165 N -4.68 0.13 0.02 0.00 0.00 -0.70 -1.02 116.66 110.41 3nnk n ARG 165 Ca 0.02 0.30 -0.10 0.00 -0.00 0.00 0.00 57.85 58.06 3nnk n ARG 165 Cb 0.08 -1.71 -0.13 0.00 -0.00 0.00 0.00 32.46 30.69 3nnk n ARG 165 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3nnk h ARG 166 N 0.00 0.05 -0.16 2.89 2.43 -1.24 -3.35 114.38 115.01 3nnk h ARG 166 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3nnk h ARG 166 Cb 0.40 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3nnk h ARG 166 CO 0.00 0.77 0.00 0.66 -1.51 0.00 0.00 179.97 179.89 3nnk n TYR 167 N -3.22 0.20 -3.43 2.20 4.01 -1.06 -5.00 117.16 110.86 3nnk n TYR 167 Ca -0.13 -0.20 -0.20 0.00 -0.16 0.00 0.00 57.90 57.21 3nnk n TYR 167 Cb 1.02 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 40.11 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 0.63 -5.17 -4.90 7.72 4.64 -0.19 -5.02 116.55 114.26 3nnk n ASP 168 Ca 0.09 -0.49 -0.34 0.00 -1.38 0.00 0.00 54.79 52.67 3nnk n ASP 168 Cb 0.35 -4.52 -0.05 0.00 -1.04 0.00 0.00 41.12 35.86 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 -3.29 3.89 0.02 -1.67 0.00 -0.33 -5.00 121.76 115.38 3nnk s ALA 169 Ca 0.42 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 3nnk s ALA 169 Cb -0.19 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 3nnk s ALA 169 CO 0.64 0.70 1.07 -0.51 0.00 0.00 0.00 175.76 177.66 3nnk s LEU 170 N -1.96 4.37 -0.37 0.00 1.43 -0.21 -4.55 118.68 117.38 3nnk s LEU 170 Ca 0.29 1.80 -0.10 0.00 -1.03 0.00 0.00 54.13 55.09 3nnk s LEU 170 Cb -0.13 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.55 3nnk s LEU 170 CO 0.19 -0.35 0.20 0.12 0.23 0.00 0.00 176.35 176.73 3nnk s PHE 171 N 1.08 3.25 0.11 0.29 5.36 -1.26 -0.14 117.98 126.67 3nnk s PHE 171 Ca 0.55 -1.08 0.07 0.00 -0.96 0.00 0.00 56.93 55.51 3nnk s PHE 171 Cb -0.24 -2.44 -0.04 0.00 -0.34 0.00 0.00 43.02 39.95 3nnk s PHE 171 CO 0.28 -0.68 -0.10 -0.47 -1.46 0.00 0.00 175.22 172.79 3nnk s TYR 172 N 1.52 2.73 -0.09 10.12 6.14 -0.81 -0.25 117.35 136.72 3nnk s TYR 172 Ca 0.01 -0.16 -0.07 0.00 0.64 0.00 0.00 57.07 57.49 3nnk s TYR 172 Cb -0.19 -1.42 0.03 0.00 0.42 0.00 0.00 41.96 40.79 3nnk s TYR 172 CO 0.06 0.43 0.24 -0.08 0.64 0.00 0.00 175.55 176.84 3nnk s THR 173 N -1.25 -0.01 -0.51 4.34 -1.32 -0.89 -2.55 115.64 113.45 3nnk s THR 173 Ca 0.22 0.05 -0.22 0.00 -1.21 0.00 0.00 61.69 60.53 3nnk s THR 173 Cb -0.11 -0.35 0.04 0.00 -1.51 0.00 0.00 72.50 70.57 3nnk s THR 173 CO 0.14 0.02 0.78 -0.62 -2.21 0.00 0.00 174.62 172.73 3nnk s ASP 174 N 0.52 6.30 -0.29 8.08 -1.08 -0.49 -2.72 116.67 127.00 3nnk s ASP 174 Ca -0.03 -0.52 0.09 0.00 -0.52 0.00 0.00 52.55 51.56 3nnk s ASP 174 Cb -0.05 -2.37 0.50 0.00 -1.46 0.00 0.00 42.92 39.55 3nnk s ASP 174 CO -0.03 -1.03 1.45 0.00 0.52 0.00 0.00 175.17 176.08 3nnk n ALA 175 N 6.80 4.31 -0.21 3.66 0.00 -0.27 -2.01 120.51 132.80 3nnk n ALA 175 Ca -0.01 -3.18 -0.04 0.00 0.00 0.00 0.00 53.44 50.20 3nnk n ALA 175 Cb 0.47 -0.71 0.13 0.00 0.00 0.00 0.00 19.45 19.34 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 1.00 1.24 0.00 0.00 1.35 -1.88 -0.53 112.91 114.10 3nnk h THR 176 Ca 0.21 -0.84 -0.06 0.00 -0.55 0.00 0.00 66.41 65.18 3nnk h THR 176 Cb 1.61 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3nnk h THR 176 CO 0.37 0.33 -0.68 0.00 -0.25 0.00 0.00 175.52 175.28 3nnk h ALA 177 N 1.25 0.71 0.00 6.62 0.00 -1.85 -3.39 119.26 122.60 3nnk h ALA 177 Ca 0.22 -0.26 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 3nnk h ALA 177 Cb 0.28 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3nnk h ALA 177 CO -0.01 0.32 -2.20 -1.13 0.00 0.00 0.00 179.25 176.23 3nnk n SER 178 N -2.96 1.08 -4.70 0.00 3.41 -1.11 -4.69 113.62 104.63 3nnk n SER 178 Ca -0.00 -0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.15 3nnk n SER 178 Cb 0.64 0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 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 -2.75 3.90 0.00 1.04 7.94 -0.22 -0.66 117.00 126.24 3nnk n LEU 179 Ca -0.31 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 3nnk n LEU 179 Cb 1.03 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 43.43 3nnk n LEU 179 CO 0.33 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.35 3nnk n GLY 180 N 3.98 2.54 0.01 -3.96 0.00 -1.26 -4.45 105.19 102.05 3nnk n GLY 180 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.30 3.17 -0.02 0.00 -0.78 -3.91 105.19 101.35 3nnk n GLY 181 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.95 1.40 0.35 1.61 0.01 0.16 -4.60 114.94 110.92 3nnk s ASN 182 Ca -0.02 -0.82 -0.29 0.00 -0.71 0.00 0.00 52.86 51.01 3nnk s ASN 182 Cb 0.04 0.02 -0.11 0.00 0.41 0.00 0.00 41.25 41.60 3nnk s ASN 182 CO 0.27 -0.28 1.53 -2.84 -1.51 0.00 0.00 177.10 174.27 3nnk s PRO 183 N -2.86 4.10 -0.29 -0.60 0.02 -1.26 -4.67 135.00 129.44 3nnk s PRO 183 Ca 0.06 2.60 0.02 0.00 0.02 0.00 0.00 61.00 63.70 3nnk s PRO 183 Cb -0.02 -2.98 0.16 0.00 0.02 0.00 0.00 34.50 31.68 3nnk s PRO 183 CO -0.00 -0.59 0.42 -1.17 -0.33 0.00 0.00 177.00 175.33 3nnk s LEU 184 N -1.56 -0.80 -0.96 -5.54 2.96 -1.26 -5.01 118.68 106.51 3nnk s LEU 184 Ca 0.57 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.92 3nnk s LEU 184 Cb -0.47 1.13 0.21 0.00 0.50 0.00 0.00 46.19 47.56 3nnk s LEU 184 CO 0.58 -0.35 0.99 -1.61 -1.32 0.00 0.00 176.35 174.65 3nnk s GLU 185 N 2.50 3.80 0.12 1.98 0.41 -1.26 -4.45 118.70 121.80 3nnk s GLU 185 Ca 0.10 -2.52 -0.30 0.00 -0.41 0.00 0.00 54.97 51.84 3nnk s GLU 185 Cb -0.12 -4.62 -0.09 0.00 -1.78 0.00 0.00 34.13 27.52 3nnk s GLU 185 CO -0.29 -1.42 1.59 1.15 -0.49 0.00 0.00 175.26 175.80 3nnk h THR 186 N 4.71 0.16 -0.22 3.63 2.02 -1.53 -0.04 112.91 121.64 3nnk h THR 186 Ca 0.16 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.22 3nnk h THR 186 Cb 0.98 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3nnk h THR 186 CO 0.93 0.00 -0.32 0.44 0.37 0.00 0.00 175.52 176.94 3nnk h ASP 187 N -0.60 0.66 0.41 4.18 5.19 -1.82 -1.57 116.42 122.87 3nnk h ASP 187 Ca 0.04 -0.52 -0.05 0.00 -0.62 0.00 0.00 57.03 55.88 3nnk h ASP 187 Cb 0.66 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 3nnk h ASP 187 CO -0.29 1.05 -0.23 -0.37 -3.12 0.00 0.00 179.24 176.28 3nnk h VAL 188 N 0.29 0.87 -0.55 -1.35 -1.51 -1.80 -2.17 116.25 110.04 3nnk h VAL 188 Ca 0.02 -0.86 -0.01 0.00 -1.23 0.00 0.00 66.70 64.62 3nnk h VAL 188 Cb 0.91 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3nnk h VAL 188 CO 0.07 0.22 0.01 0.79 -1.23 0.00 0.00 177.57 177.43 3nnk n TRP 189 N -3.85 1.99 -4.08 5.19 8.01 -0.04 -4.95 117.44 119.71 3nnk n TRP 189 Ca -0.02 -0.70 -0.33 0.00 -1.31 0.00 0.00 57.50 55.15 3nnk n TRP 189 Cb 0.32 -0.50 -0.01 0.00 -2.01 0.00 0.00 31.31 29.11 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 0.57 -0.44 3.75 6.99 0.00 -0.82 -4.15 105.19 111.08 3nnk n GLY 190 Ca 0.27 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 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 -7.23 4.61 -0.13 0.99 1.43 -0.60 -4.74 118.68 113.01 3nnk s LEU 191 Ca 0.63 1.93 0.15 0.00 -1.03 0.00 0.00 54.13 55.82 3nnk s LEU 191 Cb -0.33 -3.61 -0.24 0.00 0.03 0.00 0.00 46.19 42.04 3nnk s LEU 191 CO 0.89 0.08 0.35 0.47 0.23 0.00 0.00 176.35 178.37 3nnk n ASP 192 N 1.80 0.41 -3.67 2.29 8.00 0.66 -4.62 116.55 121.42 3nnk n ASP 192 Ca -0.01 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 3nnk n ASP 192 Cb 0.47 0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 41.99 3nnk n ASP 192 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk s ALA 193 N -2.54 -1.49 -0.02 2.24 0.00 -0.92 0.20 121.76 119.23 3nnk s ALA 193 Ca -0.07 1.82 0.02 0.00 0.00 0.00 0.00 51.96 53.73 3nnk s ALA 193 Cb 0.07 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3nnk s ALA 193 CO 0.83 -0.30 -0.08 0.08 0.00 0.00 0.00 175.76 176.29 3nnk s VAL 194 N 0.80 0.65 0.08 0.00 1.01 -0.27 -2.10 120.40 120.57 3nnk s VAL 194 Ca -0.04 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3nnk s VAL 194 Cb -0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 3nnk s VAL 194 CO -0.06 0.20 -0.21 -0.94 0.00 0.00 0.00 175.10 174.09 3nnk s SER 195 N 0.05 2.57 0.34 3.32 1.04 -1.10 -0.67 113.70 119.24 3nnk s SER 195 Ca -0.00 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 55.87 3nnk s SER 195 Cb -0.06 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 3nnk s SER 195 CO -0.00 0.12 0.21 0.00 0.98 0.00 0.00 173.24 174.55 3nnk n ALA 196 N 1.45 0.61 -2.34 5.32 0.00 0.63 -1.11 120.51 125.07 3nnk n ALA 196 Ca -0.18 -1.86 -0.19 0.00 0.00 0.00 0.00 53.44 51.20 3nnk n ALA 196 Cb 0.53 1.40 -0.09 0.00 0.00 0.00 0.00 19.45 21.29 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 -3.24 2.09 -0.18 0.00 0.00 -1.26 -3.42 107.32 101.31 3nnk s GLY 197 Ca 0.30 -1.75 0.17 0.00 0.00 0.00 0.00 44.72 43.43 3nnk s GLY 197 CO 0.21 -1.59 0.13 1.03 0.00 0.00 0.00 173.10 172.88 3nnk n MET 198 N -0.59 0.68 -0.90 2.90 0.00 -1.25 -4.68 117.12 113.28 3nnk n MET 198 Ca 0.01 0.03 -0.15 0.00 0.00 0.00 0.00 57.70 57.59 3nnk n MET 198 Cb 0.65 -1.55 0.02 0.00 0.00 0.00 0.00 33.22 32.33 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3nnk n GLN 199 N -2.81 1.76 0.18 0.03 0.00 -1.20 -0.09 117.38 115.25 3nnk n GLN 199 Ca -0.32 -1.43 0.08 0.00 0.00 0.00 0.00 57.00 55.33 3nnk n GLN 199 Cb 1.14 -1.59 0.42 0.00 0.00 0.00 0.00 30.24 30.21 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 -0.12 -2.74 0.00 4.07 -1.78 -3.32 115.31 111.43 3nnk h LEU 202 Ca 0.00 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3nnk h LEU 202 Cb 0.53 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.30 3nnk h LEU 202 CO 0.00 0.51 0.00 0.61 -1.08 0.00 0.00 178.44 178.48 3nnk n GLY 203 N 1.09 0.60 0.00 0.83 0.00 0.87 -4.81 105.19 103.77 3nnk n GLY 203 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.24 0.83 3.85 -0.02 0.00 -1.26 -0.32 105.19 107.04 3nnk n GLY 204 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.35 3.96 0.73 1.61 0.04 -1.26 -3.21 135.00 136.52 3nnk s PRO 205 Ca 0.00 0.63 -0.13 0.00 0.04 0.00 0.00 61.00 61.53 3nnk s PRO 205 Cb 0.00 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 32.15 3nnk s PRO 205 CO 0.00 0.12 1.14 -1.54 0.04 0.00 0.00 177.00 176.76 3nnk s SER 206 N -2.43 4.47 0.00 6.66 1.04 -1.26 -4.46 113.70 117.73 3nnk s SER 206 Ca 0.54 2.08 0.00 0.00 0.48 0.00 0.00 55.95 59.05 3nnk s SER 206 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.46 3nnk s SER 206 CO 0.20 -2.06 0.00 0.61 0.98 0.00 0.00 173.24 172.97 3nnk n GLY 207 N -0.32 1.23 3.28 7.32 0.00 -1.26 -4.96 105.19 110.47 3nnk n GLY 207 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.68 0.00 -0.29 2.61 2.01 -0.89 -3.20 115.64 114.21 3nnk s THR 208 Ca 0.00 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 3nnk s THR 208 Cb 0.00 -0.55 0.09 0.00 0.01 0.00 0.00 72.50 72.05 3nnk s THR 208 CO 0.00 -0.01 0.07 -0.55 -0.69 0.00 0.00 174.62 173.44 3nnk s SER 209 N 0.12 3.89 0.23 3.53 0.15 -0.64 -3.85 113.70 117.14 3nnk s SER 209 Ca -0.01 -1.50 -0.30 0.00 0.70 0.00 0.00 55.95 54.84 3nnk s SER 209 Cb -0.03 -0.91 -0.09 0.00 -1.71 0.00 0.00 66.02 63.28 3nnk s SER 209 CO 0.01 -0.38 1.34 -2.84 1.20 0.00 0.00 173.24 172.57 3nnk s PRO 210 N 1.58 4.36 0.07 5.44 0.02 -1.22 -0.83 135.00 144.42 3nnk s PRO 210 Ca 0.07 2.14 0.04 0.00 0.02 0.00 0.00 61.00 63.26 3nnk s PRO 210 Cb -0.17 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.16 3nnk s PRO 210 CO -0.19 -0.28 -0.12 0.96 -0.33 0.00 0.00 177.00 177.04 3nnk s ILE 211 N -0.14 0.93 -0.04 2.83 -4.36 0.45 -0.27 121.20 120.61 3nnk s ILE 211 Ca 0.56 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 3nnk s ILE 211 Cb -0.38 -1.03 0.02 0.00 1.25 0.00 0.00 42.46 42.31 3nnk s ILE 211 CO 0.42 -0.35 -0.06 0.28 0.24 0.00 0.00 174.94 175.47 3nnk s THR 212 N -1.59 0.64 -0.10 8.37 -1.32 0.16 -1.18 115.64 120.61 3nnk s THR 212 Ca -0.02 -0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.28 3nnk s THR 212 Cb -0.08 -0.63 -0.00 0.00 -1.51 0.00 0.00 72.50 70.28 3nnk s THR 212 CO 0.01 0.24 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.68 3nnk s LEU 213 N 0.70 2.21 0.95 9.08 1.43 -0.62 -1.11 118.68 131.32 3nnk s LEU 213 Ca -0.10 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 3nnk s LEU 213 Cb -0.13 -1.45 0.16 0.00 0.03 0.00 0.00 46.19 44.80 3nnk s LEU 213 CO 0.01 0.17 1.16 -0.94 0.23 0.00 0.00 176.35 176.97 3nnk s SER 214 N 0.30 3.21 0.39 2.29 1.04 0.13 -4.35 113.70 116.71 3nnk s SER 214 Ca -0.16 0.84 0.13 0.00 0.48 0.00 0.00 55.95 57.24 3nnk s SER 214 Cb -0.17 -1.32 0.96 0.00 0.10 0.00 0.00 66.02 65.59 3nnk s SER 214 CO 0.08 -2.72 1.88 0.00 0.98 0.00 0.00 173.24 173.45 3nnk h ALA 215 N -1.62 2.01 -0.07 5.32 0.00 -1.93 -2.07 119.26 120.90 3nnk h ALA 215 Ca -0.49 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 3nnk h ALA 215 Cb 1.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3nnk h ALA 215 CO 0.56 -0.26 -0.71 0.07 0.00 0.00 0.00 179.25 178.92 3nnk h ARG 216 N 0.53 0.34 -0.37 0.00 -0.00 -1.92 -3.25 114.38 109.71 3nnk h ARG 216 Ca 0.43 -0.27 -0.13 0.00 -0.00 0.00 0.00 59.98 60.01 3nnk h ARG 216 Cb 0.88 0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.90 3nnk h ARG 216 CO -0.17 0.91 -0.28 0.52 -0.00 0.00 0.00 179.97 180.95 3nnk h MET 217 N 0.23 0.83 -0.10 0.08 2.07 -1.62 -3.20 114.93 113.23 3nnk h MET 217 Ca -0.02 -0.41 -0.05 0.00 -2.07 0.00 0.00 59.70 57.15 3nnk h MET 217 Cb 1.27 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.99 3nnk h MET 217 CO 0.12 1.05 -0.16 1.05 1.07 0.00 0.00 176.91 180.03 3nnk h GLU 218 N 0.63 0.15 -0.16 1.72 4.11 -1.48 -1.89 114.58 117.66 3nnk h GLU 218 Ca 0.07 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 3nnk h GLU 218 Cb 0.85 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3nnk h GLU 218 CO 0.07 0.32 -0.04 1.49 0.07 0.00 0.00 179.01 180.92 3nnk h GLU 219 N 0.15 0.31 -0.96 1.06 4.81 -1.60 0.46 114.58 118.81 3nnk h GLU 219 Ca 0.03 -0.12 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3nnk h GLU 219 Cb 0.38 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 3nnk h GLU 219 CO 0.02 0.59 0.62 0.00 -0.73 0.00 0.00 179.01 179.51 3nnk h ALA 220 N 0.72 1.50 0.07 2.92 0.00 -1.44 0.85 119.26 123.88 3nnk h ALA 220 Ca 0.04 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 3nnk h ALA 220 Cb 0.47 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3nnk h ALA 220 CO 0.02 0.32 -1.09 0.82 0.00 0.00 0.00 179.25 179.31 3nnk h ILE 221 N 1.04 1.50 0.00 0.00 2.04 -1.32 -3.22 117.51 117.56 3nnk h ILE 221 Ca 0.44 -2.90 -0.06 0.00 1.00 0.00 0.00 64.86 63.33 3nnk h ILE 221 Cb 0.30 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 3nnk h ILE 221 CO -0.19 0.85 -0.30 0.03 0.00 0.00 0.00 178.15 178.54 3nnk h ARG 222 N 0.10 0.00 0.00 2.37 -0.00 -0.20 -2.09 114.38 114.57 3nnk h ARG 222 Ca -0.09 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.34 3nnk h ARG 222 Cb 1.79 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.75 3nnk h ARG 222 CO 0.18 0.30 -0.23 0.00 0.00 0.00 0.00 179.97 180.21 3nnk h ARG 223 N 0.00 0.00 -0.00 0.04 3.08 -0.87 -2.82 114.38 113.81 3nnk h ARG 223 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nnk h ARG 223 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3nnk h ARG 223 CO 0.04 0.23 -0.06 0.54 -1.07 0.00 0.00 179.97 179.65 3nnk n ARG 224 N -4.21 0.04 -1.40 0.04 5.12 -0.79 -1.59 116.66 113.87 3nnk n ARG 224 Ca -0.02 -0.00 -0.54 0.00 -1.93 0.00 0.00 57.85 55.35 3nnk n ARG 224 Cb 0.29 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.01 3nnk n ARG 224 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3nnk n LYS 225 N -1.47 0.00 -3.57 5.56 4.81 -1.06 -4.22 118.16 118.20 3nnk n LYS 225 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.40 3nnk n LYS 225 Cb 0.33 -1.20 -0.11 0.00 0.02 0.00 0.00 35.03 34.07 3nnk n LYS 225 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3nnk s VAL 227 N 2.50 5.27 0.18 0.00 1.01 -1.26 -4.90 120.40 123.19 3nnk s VAL 227 Ca 0.03 0.65 -0.33 0.00 0.00 0.00 0.00 61.98 62.33 3nnk s VAL 227 Cb -0.13 -3.68 -0.15 0.00 0.00 0.00 0.00 36.38 32.41 3nnk s VAL 227 CO -0.12 0.35 1.26 1.21 0.00 0.00 0.00 175.10 177.80 3nnk n GLU 228 N 3.77 1.41 -0.30 2.72 0.00 -1.26 -4.76 120.64 122.22 3nnk n GLU 228 Ca -0.10 0.51 0.07 0.00 0.00 0.00 0.00 57.16 57.64 3nnk n GLU 228 Cb 0.52 -2.07 0.23 0.00 0.00 0.00 0.00 31.44 30.12 3nnk n GLU 228 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3nnk h GLU 229 N 3.83 0.65 0.00 5.31 4.81 -1.96 -2.27 114.58 124.95 3nnk h GLU 229 Ca -0.44 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3nnk h GLU 229 Cb 1.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3nnk h GLU 229 CO 0.73 0.43 0.00 0.41 -0.73 0.00 0.00 179.01 179.85 3nnk n GLY 230 N -1.33 -1.28 0.14 1.92 0.00 -1.26 -2.94 105.19 100.44 3nnk n GLY 230 Ca 0.18 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3nnk n GLY 230 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3nnk n ILE 231 N -1.96 0.86 -3.18 -0.61 -5.35 -0.92 -5.04 119.36 103.17 3nnk n ILE 231 Ca 0.03 -0.98 -0.40 0.00 -0.27 0.00 0.00 62.75 61.14 3nnk n ILE 231 Cb 0.25 0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 38.45 3nnk n ILE 231 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3nnk s ARG 232 N -1.17 4.23 0.54 6.28 3.52 -0.90 -4.94 118.95 126.51 3nnk s ARG 232 Ca 0.10 0.55 0.08 0.00 -0.13 0.00 0.00 55.73 56.33 3nnk s ARG 232 Cb 0.09 -3.55 0.08 0.00 -1.56 0.00 0.00 34.95 30.01 3nnk s ARG 232 CO 0.01 -0.15 0.67 0.25 -0.81 0.00 0.00 175.30 175.27 3nnk n THR 233 N 4.49 0.00 0.19 4.11 -2.24 -1.26 -5.01 114.28 114.56 3nnk n THR 233 Ca -0.03 -1.88 0.03 0.00 -2.27 0.00 0.00 64.05 59.90 3nnk n THR 233 Cb 0.50 -0.43 0.38 0.00 -2.10 0.00 0.00 70.33 68.69 3nnk n THR 233 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3nnk h ASP 234 N 0.21 0.00 0.75 3.42 3.32 -2.03 -2.76 116.42 119.34 3nnk h ASP 234 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3nnk h ASP 234 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3nnk h ASP 234 CO 0.40 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 178.26 3nnk n ALA 235 N -2.47 1.71 -1.83 3.45 0.00 -1.26 -4.78 120.51 115.33 3nnk n ALA 235 Ca -0.02 0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 3nnk n ALA 235 Cb 0.38 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.25 3.79 -0.14 0.00 3.76 -1.04 -5.07 115.29 113.33 3nnk s HIS 236 Ca 0.05 1.76 -0.13 0.00 -0.15 0.00 0.00 55.06 56.60 3nnk s HIS 236 Cb 0.10 -2.89 0.04 0.00 1.11 0.00 0.00 32.58 30.94 3nnk s HIS 236 CO 0.39 0.32 0.37 -0.98 -0.85 0.00 0.00 174.74 173.99 3nnk s ARG 237 N -1.73 0.43 0.94 1.40 1.70 -1.26 -4.94 118.95 115.48 3nnk s ARG 237 Ca 0.46 0.54 -0.11 0.00 -0.47 0.00 0.00 55.73 56.15 3nnk s ARG 237 Cb -0.21 0.19 0.16 0.00 -0.57 0.00 0.00 34.95 34.52 3nnk s ARG 237 CO 0.26 -0.06 1.11 -0.51 -1.08 0.00 0.00 175.30 175.02 3nnk s ASP 238 N 0.32 2.81 0.94 -2.89 1.01 -1.26 -4.85 116.67 112.75 3nnk s ASP 238 Ca -0.01 1.98 -0.08 0.00 0.71 0.00 0.00 52.55 55.14 3nnk s ASP 238 Cb -0.03 -2.49 0.13 0.00 1.01 0.00 0.00 42.92 41.53 3nnk s ASP 238 CO -0.01 -3.13 0.76 0.61 0.21 0.00 0.00 175.17 173.61 3nnk n GLY 239 N 0.03 -1.05 0.20 0.21 0.00 0.91 -4.92 105.19 100.57 3nnk n GLY 239 Ca 0.10 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.50 3nnk n GLY 239 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3nnk n ASP 240 N -3.43 0.95 -4.66 1.61 5.75 -0.69 -4.84 116.55 111.24 3nnk n ASP 240 Ca 0.10 -0.79 -0.24 0.00 -0.01 0.00 0.00 54.79 53.85 3nnk n ASP 240 Cb 0.34 0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 40.53 3nnk n ASP 240 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3nnk s GLU 241 N -2.60 2.24 0.66 0.11 2.02 -0.62 -5.05 118.70 115.46 3nnk s GLU 241 Ca 0.22 -1.57 -0.17 0.00 0.02 0.00 0.00 54.97 53.46 3nnk s GLU 241 Cb 0.19 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 3nnk s GLU 241 CO 0.56 0.21 1.04 -0.85 0.02 0.00 0.00 175.26 176.24 3nnk n GLU 242 N -0.99 0.77 -1.11 1.61 0.28 -1.26 -4.52 120.64 115.41 3nnk n GLU 242 Ca -0.05 0.31 -0.33 0.00 -0.16 0.00 0.00 57.16 56.94 3nnk n GLU 242 Cb 0.61 -2.27 0.12 0.00 1.43 0.00 0.00 31.44 31.33 3nnk n GLU 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3nnk s MET 243 N -3.14 1.67 0.07 3.44 0.23 -1.26 -4.66 119.30 115.65 3nnk s MET 243 Ca 0.77 1.66 -0.31 0.00 -1.03 0.00 0.00 55.69 56.78 3nnk s MET 243 Cb -0.38 -1.79 -0.06 0.00 -1.53 0.00 0.00 34.83 31.07 3nnk s MET 243 CO 0.47 -2.17 1.31 0.42 -2.03 0.00 0.00 175.02 173.01 3nnk s ILE 244 N -2.28 3.69 -0.31 3.16 1.01 -1.26 -4.91 121.20 120.30 3nnk s ILE 244 Ca 0.71 1.20 -0.06 0.00 0.00 0.00 0.00 60.65 62.49 3nnk s ILE 244 Cb -0.26 -3.77 -0.18 0.00 0.01 0.00 0.00 42.46 38.26 3nnk s ILE 244 CO 0.51 0.08 3.36 -1.22 0.00 0.00 0.00 174.94 177.67 3nnk n TYR 245 N 4.17 0.65 -3.63 3.97 4.01 -1.26 -4.66 117.16 120.40 3nnk n TYR 245 Ca 0.11 -1.80 -0.08 0.00 -0.16 0.00 0.00 57.90 55.97 3nnk n TYR 245 Cb 0.44 -1.67 -0.07 0.00 -0.31 0.00 0.00 39.34 37.74 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 1.66 -0.34 -0.14 7.72 0.15 -1.26 -5.07 113.70 116.42 3nnk s SER 246 Ca 0.65 0.62 -0.18 0.00 0.70 0.00 0.00 55.95 57.75 3nnk s SER 246 Cb 0.31 0.62 -0.15 0.00 -1.71 0.00 0.00 66.02 65.09 3nnk s SER 246 CO -0.05 -0.13 0.36 -1.13 1.20 0.00 0.00 173.24 173.48 3nnk h ASN 247 N 3.74 0.00 0.11 5.45 -1.24 -1.98 -3.28 115.58 118.38 3nnk h ASN 247 Ca -0.26 -0.53 -0.05 0.00 0.71 0.00 0.00 56.30 56.16 3nnk h ASN 247 Cb 1.18 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.22 3nnk h ASN 247 CO 0.15 0.93 -0.18 0.22 -1.29 0.00 0.00 177.43 177.26 3nnk h TYR 248 N -1.00 0.14 -0.65 0.67 3.20 -1.98 -2.95 116.97 114.41 3nnk h TYR 248 Ca -0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3nnk h TYR 248 Cb 0.74 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3nnk h TYR 248 CO 0.12 0.31 0.00 1.19 -1.64 0.00 0.00 178.16 178.14 3nnk n PHE 249 N -4.27 1.02 -2.29 -3.82 3.72 -1.26 -4.86 117.46 105.70 3nnk n PHE 249 Ca -0.01 -0.54 -0.37 0.00 -0.05 0.00 0.00 57.45 56.48 3nnk n PHE 249 Cb 0.28 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.00 5.75 0.16 4.37 -1.08 -1.12 -4.58 116.67 119.16 3nnk s ASP 250 Ca 0.45 -0.55 0.19 0.00 -0.52 0.00 0.00 52.55 52.12 3nnk s ASP 250 Cb 0.25 -2.55 0.80 0.00 -1.46 0.00 0.00 42.92 39.96 3nnk s ASP 250 CO 0.28 -2.13 1.57 0.18 0.52 0.00 0.00 175.17 175.59 3nnk n LEU 251 N 11.33 0.38 -0.10 -1.34 4.77 -1.26 -1.69 117.00 129.09 3nnk n LEU 251 Ca 0.24 0.60 -0.11 0.00 -0.03 0.00 0.00 56.01 56.72 3nnk n LEU 251 Cb 0.50 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3nnk n LEU 251 CO 0.67 -0.48 0.77 1.23 -1.33 0.00 0.00 177.39 178.25 3nnk h GLY 252 N 2.00 0.56 1.60 -0.72 0.00 -1.88 -1.42 103.07 103.21 3nnk h GLY 252 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 3nnk h GLY 252 CO 0.00 0.38 -0.57 -0.33 0.00 0.00 0.00 176.54 176.02 3nnk h MET 253 N 0.31 0.41 -0.39 4.80 2.86 -1.67 -2.44 114.93 118.82 3nnk h MET 253 Ca 0.08 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3nnk h MET 253 Cb 0.43 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3nnk h MET 253 CO 0.02 0.87 0.11 0.28 1.06 0.00 0.00 176.91 179.24 3nnk h VAL 254 N 0.32 1.22 -0.51 -2.22 2.07 -1.45 -1.73 116.25 113.95 3nnk h VAL 254 Ca 0.00 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.84 3nnk h VAL 254 Cb 1.09 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 3nnk h VAL 254 CO 0.10 0.26 0.25 0.24 0.02 0.00 0.00 177.57 178.43 3nnk h MET 255 N 0.48 0.47 0.00 1.57 2.86 -1.20 -0.31 114.93 118.80 3nnk h MET 255 Ca 0.12 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3nnk h MET 255 Cb 0.28 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3nnk h MET 255 CO -0.00 0.31 -0.06 -0.44 1.06 0.00 0.00 176.91 177.78 3nnk h ASP 256 N 0.49 0.00 0.18 1.22 3.32 -1.18 0.41 116.42 120.86 3nnk h ASP 256 Ca 0.23 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.02 3nnk h ASP 256 Cb 0.15 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.72 3nnk h ASP 256 CO -0.17 0.06 -1.20 0.22 -1.72 0.00 0.00 179.24 176.44 3nnk h TYR 257 N 0.00 0.69 0.00 4.55 3.20 -0.46 -0.29 116.97 124.66 3nnk h TYR 257 Ca -0.00 -0.50 0.00 0.00 3.14 0.00 0.00 58.73 61.37 3nnk h TYR 257 Cb 0.18 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3nnk h TYR 257 CO 0.00 1.46 0.00 0.91 -1.64 0.00 0.00 178.16 178.89 3nnk n TRP 258 N -3.92 0.76 -2.72 -3.82 7.02 -0.21 -4.29 117.44 110.26 3nnk n TRP 258 Ca -0.18 0.23 -0.13 0.00 -1.02 0.00 0.00 57.50 56.40 3nnk n TRP 258 Cb 0.95 -0.87 0.06 0.00 -2.42 0.00 0.00 31.31 29.02 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 1.20 1.27 0.37 6.99 0.00 0.14 -4.94 105.19 110.23 3nnk n GLY 259 Ca 0.05 -2.09 0.16 0.00 0.00 0.00 0.00 46.02 44.15 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 0.30 -0.05 1.61 0.13 -1.86 -1.71 132.00 130.42 3nnk h PRO 260 Ca -0.18 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 3nnk h PRO 260 Cb 0.75 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3nnk h PRO 260 CO 0.22 0.20 -0.18 0.93 -0.23 0.00 0.00 178.00 178.95 3nnk h GLU 261 N 0.31 0.08 -6.12 0.86 3.07 -1.93 -3.47 114.58 107.39 3nnk h GLU 261 Ca 0.32 -0.02 -0.44 0.00 -0.50 0.00 0.00 59.36 58.73 3nnk h GLU 261 Cb 0.82 -0.01 0.03 0.00 -0.84 0.00 0.00 28.75 28.76 3nnk h GLU 261 CO -0.08 0.26 -0.76 0.54 -1.40 0.00 0.00 179.01 177.57 3nnk n ARG 262 N -4.29 -5.97 -1.77 2.33 5.12 -0.64 -4.90 116.66 106.54 3nnk n ARG 262 Ca -0.02 0.67 -0.42 0.00 -1.93 0.00 0.00 57.85 56.15 3nnk n ARG 262 Cb 0.26 -5.52 -0.03 0.00 -1.16 0.00 0.00 32.46 26.01 3nnk n ARG 262 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3nnk s LEU 263 N -7.09 4.39 -1.30 0.55 1.98 -0.19 -4.86 118.68 112.15 3nnk s LEU 263 Ca 0.45 2.73 -0.18 0.00 -2.89 0.00 0.00 54.13 54.24 3nnk s LEU 263 Cb -0.22 -3.58 0.03 0.00 0.66 0.00 0.00 46.19 43.08 3nnk s LEU 263 CO 0.80 -0.96 1.93 -3.20 -1.89 0.00 0.00 176.35 173.02 3nnk n ASN 264 N 5.15 4.25 -0.02 3.68 2.85 -1.26 -3.93 115.26 125.97 3nnk n ASN 264 Ca 0.17 -2.86 -0.19 0.00 -0.11 0.00 0.00 54.58 51.60 3nnk n ASN 264 Cb 0.38 -1.68 -0.13 0.00 1.24 0.00 0.00 39.78 39.59 3nnk n ASN 264 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3nnk h HIS 265 N 7.33 0.26 -3.43 1.20 -0.00 -1.89 -3.49 115.15 115.13 3nnk h HIS 265 Ca 0.46 -0.19 -0.04 0.00 -0.00 0.00 0.00 60.37 60.60 3nnk h HIS 265 Cb 0.79 -0.01 -0.11 0.00 -0.00 0.00 0.00 27.41 28.08 3nnk h HIS 265 CO 1.40 1.29 -0.06 -3.38 -0.00 0.00 0.00 177.93 177.19 3nnk s HIS 266 N -2.36 -0.05 -0.44 5.26 -3.43 -1.26 -5.06 115.29 107.95 3nnk s HIS 266 Ca -0.19 -0.29 -0.28 0.00 -0.80 0.00 0.00 55.06 53.50 3nnk s HIS 266 Cb 0.01 0.28 0.03 0.00 -1.43 0.00 0.00 32.58 31.47 3nnk s HIS 266 CO 0.73 -0.83 1.06 0.99 -2.00 0.00 0.00 174.74 174.69 3nnk s THR 267 N -3.87 4.36 0.34 -5.38 2.01 -1.26 -5.00 115.64 106.83 3nnk s THR 267 Ca 0.09 1.20 -0.29 0.00 0.31 0.00 0.00 61.69 63.00 3nnk s THR 267 Cb 0.00 -4.51 -0.11 0.00 0.01 0.00 0.00 72.50 67.90 3nnk s THR 267 CO -0.05 -0.83 1.54 1.21 -0.69 0.00 0.00 174.62 175.80 3nnk n GLU 268 N 7.42 2.69 -2.00 4.92 4.07 -1.26 -4.85 120.64 131.62 3nnk n GLU 268 Ca 0.10 0.95 -0.28 0.00 -0.06 0.00 0.00 57.16 57.87 3nnk n GLU 268 Cb 0.48 -2.70 -0.05 0.00 -0.06 0.00 0.00 31.44 29.11 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 -0.61 1.69 0.18 4.31 0.00 -1.26 -4.85 121.76 121.22 3nnk s ALA 269 Ca 0.58 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 3nnk s ALA 269 Cb -0.48 -4.50 0.16 0.00 0.00 0.00 0.00 23.12 18.29 3nnk s ALA 269 CO 0.57 -4.71 1.67 1.15 0.00 0.00 0.00 175.76 174.44 3nnk h THR 270 N 7.23 0.59 -0.20 0.00 2.02 -1.96 0.18 112.91 120.76 3nnk h THR 270 Ca 0.01 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3nnk h THR 270 Cb 1.04 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3nnk h THR 270 CO 1.20 0.01 -0.11 0.74 0.37 0.00 0.00 175.52 177.73 3nnk h THR 271 N 0.06 1.31 -0.42 3.16 2.02 -1.92 -2.24 112.91 114.88 3nnk h THR 271 Ca 0.23 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 3nnk h THR 271 Cb 0.35 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3nnk h THR 271 CO -0.43 0.36 0.22 0.00 0.37 0.00 0.00 175.52 176.03 3nnk h ALA 272 N 0.70 1.60 -0.53 6.16 0.00 -1.85 -0.89 119.26 124.45 3nnk h ALA 272 Ca 0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3nnk h ALA 272 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3nnk h ALA 272 CO 0.03 0.34 -0.03 1.25 0.00 0.00 0.00 179.25 180.84 3nnk h LEU 273 N 0.58 0.90 -0.54 0.00 6.46 -0.48 0.10 115.31 122.34 3nnk h LEU 273 Ca 0.15 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 3nnk h LEU 273 Cb 0.04 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 3nnk h LEU 273 CO -0.02 0.98 0.21 -0.26 -0.62 0.00 0.00 178.44 178.73 3nnk h PHE 274 N 0.84 0.83 0.22 1.25 0.04 -0.78 0.31 116.94 119.65 3nnk h PHE 274 Ca 0.15 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.87 3nnk h PHE 274 Cb 0.54 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 3nnk h PHE 274 CO 0.03 0.68 -0.34 0.78 -0.60 0.00 0.00 178.31 178.86 3nnk h GLY 275 N 0.73 -0.72 1.06 -1.45 0.00 -0.82 -2.53 103.07 99.34 3nnk h GLY 275 Ca 0.18 0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 3nnk h GLY 275 CO -0.01 -0.27 0.28 0.00 0.00 0.00 0.00 176.54 176.53 3nnk h ALA 276 N -0.07 1.01 -0.76 3.60 0.00 -0.72 -2.40 119.26 119.93 3nnk h ALA 276 Ca 0.01 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 276 Cb 0.62 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3nnk h ALA 276 CO -0.14 0.67 0.45 -0.09 0.00 0.00 0.00 179.25 180.14 3nnk h ARG 277 N 1.15 0.80 -0.02 0.00 2.43 -0.88 -3.03 114.38 114.82 3nnk h ARG 277 Ca 0.25 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3nnk h ARG 277 Cb 0.27 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3nnk h ARG 277 CO -0.01 0.53 -0.01 0.93 -1.51 0.00 0.00 179.97 179.89 3nnk h GLU 278 N 0.82 0.05 -0.56 0.20 4.39 -1.13 -2.47 114.58 115.88 3nnk h GLU 278 Ca 0.34 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.10 3nnk h GLU 278 Cb 0.18 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.73 3nnk h GLU 278 CO -0.18 0.48 -0.41 0.00 -1.16 0.00 0.00 179.01 177.74 3nnk h ALA 280 N 0.67 0.50 -0.24 0.00 0.00 -1.60 -1.13 119.26 117.47 3nnk h ALA 280 Ca 0.18 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3nnk h ALA 280 Cb 0.56 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3nnk h ALA 280 CO -0.67 -0.09 0.04 -0.09 0.00 0.00 0.00 179.25 178.44 3nnk h ARG 281 N 0.49 0.13 -0.29 0.00 2.43 -0.74 0.10 114.38 116.50 3nnk h ARG 281 Ca 0.16 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3nnk h ARG 281 Cb -0.01 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3nnk h ARG 281 CO -0.06 0.08 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.30 3nnk h LEU 282 N 0.13 0.47 -0.34 3.80 3.38 -0.46 0.23 115.31 122.52 3nnk h LEU 282 Ca 0.11 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3nnk h LEU 282 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3nnk h LEU 282 CO -0.15 0.62 -0.06 0.40 0.09 0.00 0.00 178.44 179.34 3nnk h ILE 283 N 0.45 1.27 0.00 1.22 2.04 -0.75 -2.61 117.51 119.13 3nnk h ILE 283 Ca 0.09 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 64.76 3nnk h ILE 283 Cb 0.47 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3nnk h ILE 283 CO 0.03 0.36 -0.42 -0.07 0.00 0.00 0.00 178.15 178.04 3nnk h LEU 284 N 0.43 0.00 -0.42 1.44 3.38 -0.48 -0.97 115.31 118.70 3nnk h LEU 284 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3nnk h LEU 284 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3nnk h LEU 284 CO 0.03 0.42 -0.04 1.56 0.09 0.00 0.00 178.44 180.50 3nnk h GLN 285 N 0.00 0.76 -0.24 1.13 4.20 -0.56 -2.94 115.11 117.46 3nnk h GLN 285 Ca -0.00 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.33 3nnk h GLN 285 Cb 1.23 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 3nnk h GLN 285 CO 0.06 0.86 -0.33 1.49 -0.67 0.00 0.00 178.83 180.24 3nnk h GLU 286 N 0.59 0.51 -0.17 1.46 4.81 -1.37 -3.49 114.58 116.93 3nnk h GLU 286 Ca 0.11 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3nnk h GLU 286 Cb 0.55 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3nnk h GLU 286 CO 0.03 0.78 0.00 0.41 -0.73 0.00 0.00 179.01 179.50 3nnk n GLY 287 N -0.19 0.37 0.37 1.92 0.00 -0.38 -4.67 105.19 102.61 3nnk n GLY 287 Ca -0.01 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 0.86 -0.65 0.99 5.85 -1.83 -1.42 115.31 119.11 3nnk h LEU 288 Ca 0.00 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3nnk h LEU 288 Cb 0.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3nnk h LEU 288 CO 0.00 0.46 0.18 0.44 -0.34 0.00 0.00 178.44 179.18 3nnk h ASP 289 N 0.93 0.96 -0.02 1.25 5.19 -1.92 -1.47 116.42 121.34 3nnk h ASP 289 Ca 0.48 -0.22 -0.10 0.00 -0.62 0.00 0.00 57.03 56.57 3nnk h ASP 289 Cb 0.52 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 3nnk h ASP 289 CO -0.24 0.93 -0.27 1.88 -3.12 0.00 0.00 179.24 178.42 3nnk h TYR 290 N 0.95 0.50 0.24 4.55 0.05 -1.62 -1.41 116.97 120.23 3nnk h TYR 290 Ca 0.21 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 3nnk h TYR 290 Cb 0.33 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3nnk h TYR 290 CO 0.02 0.68 -0.12 0.78 -1.05 0.00 0.00 178.16 178.48 3nnk h GLY 291 N 1.03 -0.34 0.95 3.88 0.00 -0.93 -0.16 103.07 107.51 3nnk h GLY 291 Ca 0.06 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.53 3nnk h GLY 291 CO 0.05 -0.12 0.45 -2.22 0.00 0.00 0.00 176.54 174.70 3nnk h ILE 292 N -0.39 1.15 -0.78 2.60 2.04 -1.22 -1.99 117.51 118.92 3nnk h ILE 292 Ca -0.03 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 3nnk h ILE 292 Cb 0.30 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3nnk h ILE 292 CO 0.05 0.17 0.47 0.00 0.00 0.00 0.00 178.15 178.84 3nnk h ALA 293 N 1.27 1.00 -0.70 1.87 0.00 -1.13 -1.74 119.26 119.83 3nnk h ALA 293 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3nnk h ALA 293 Cb -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3nnk h ALA 293 CO -0.08 0.46 0.43 -0.09 0.00 0.00 0.00 179.25 179.98 3nnk h ARG 294 N 1.07 0.94 -0.26 0.00 2.43 -0.69 -1.09 114.38 116.79 3nnk h ARG 294 Ca 0.28 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3nnk h ARG 294 Cb -0.04 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3nnk h ARG 294 CO -0.05 0.66 -0.12 0.45 -1.51 0.00 0.00 179.97 179.40 3nnk h HIS 295 N 0.95 0.45 -0.10 2.20 3.86 -0.90 -2.45 115.15 119.16 3nnk h HIS 295 Ca 0.25 -0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 59.27 3nnk h HIS 295 Cb -0.05 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.31 3nnk h HIS 295 CO -0.02 0.54 -0.45 -0.22 0.86 0.00 0.00 177.93 178.64 3nnk h LYS 296 N 0.40 0.48 -0.01 2.45 3.64 -1.05 -2.34 116.57 120.13 3nnk h LYS 296 Ca 0.08 -0.39 0.03 0.00 -1.27 0.00 0.00 60.65 59.10 3nnk h LYS 296 Cb 0.45 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3nnk h LYS 296 CO 0.03 1.02 -0.24 1.25 -2.27 0.00 0.00 179.45 179.23 3nnk h LEU 297 N 0.06 -0.72 -0.58 5.20 5.85 -1.04 0.10 115.31 124.17 3nnk h LEU 297 Ca -0.03 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3nnk h LEU 297 Cb 1.10 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3nnk h LEU 297 CO 0.09 -0.31 -0.44 0.45 -0.34 0.00 0.00 178.44 177.89 3nnk h HIS 298 N -0.37 0.00 -0.44 1.25 3.86 -1.56 -1.89 115.15 116.00 3nnk h HIS 298 Ca 0.07 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.15 3nnk h HIS 298 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3nnk h HIS 298 CO -0.29 0.44 -0.22 0.78 0.86 0.00 0.00 177.93 179.50 3nnk h GLY 299 N 2.59 1.02 1.39 2.45 0.00 -1.12 -2.52 103.07 106.87 3nnk h GLY 299 Ca -0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 47.33 46.20 3nnk h GLY 299 CO 0.06 0.84 -0.80 -0.55 0.00 0.00 0.00 176.54 176.09 3nnk h ASP 300 N 0.77 0.71 -0.48 0.19 3.32 -0.84 -2.16 116.42 117.93 3nnk h ASP 300 Ca 0.10 -0.48 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 3nnk h ASP 300 Cb 0.80 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3nnk h ASP 300 CO 0.07 1.26 0.18 0.00 -1.72 0.00 0.00 179.24 179.03 3nnk h ALA 301 N 0.72 1.32 -0.20 3.45 0.00 -1.40 -1.05 119.26 122.09 3nnk h ALA 301 Ca -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3nnk h ALA 301 Cb 1.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3nnk h ALA 301 CO 0.15 0.50 0.06 1.25 0.00 0.00 0.00 179.25 181.21 3nnk h LEU 302 N 0.77 0.30 -0.71 0.00 5.85 -1.34 -2.19 115.31 117.99 3nnk h LEU 302 Ca 0.18 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3nnk h LEU 302 Cb 0.20 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3nnk h LEU 302 CO -0.01 0.43 0.08 1.62 -0.34 0.00 0.00 178.44 180.22 3nnk h VAL 303 N 0.15 1.26 -0.72 1.05 3.04 -1.06 -1.31 116.25 118.66 3nnk h VAL 303 Ca 0.06 -1.05 -0.06 0.00 -1.01 0.00 0.00 66.70 64.64 3nnk h VAL 303 Cb 0.24 0.67 -0.03 0.00 -2.01 0.00 0.00 31.29 30.17 3nnk h VAL 303 CO -0.00 0.39 0.22 0.11 -1.01 0.00 0.00 177.57 177.28 3nnk h LYS 304 N 1.00 1.12 -0.47 4.17 1.57 -1.22 -0.97 116.57 121.78 3nnk h LYS 304 Ca 0.19 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3nnk h LYS 304 Cb 0.46 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3nnk h LYS 304 CO 0.02 0.96 -0.05 0.78 -0.57 0.00 0.00 179.45 180.58 3nnk h GLY 305 N 1.10 0.87 0.94 3.86 0.00 -1.08 -2.21 103.07 106.55 3nnk h GLY 305 Ca 0.23 -0.62 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 3nnk h GLY 305 CO -0.01 0.57 -0.38 -2.22 0.00 0.00 0.00 176.54 174.50 3nnk h ILE 306 N 0.74 1.32 -0.60 2.60 1.08 -1.01 -2.76 117.51 118.89 3nnk h ILE 306 Ca 0.13 -1.61 -0.08 0.00 -0.39 0.00 0.00 64.86 62.92 3nnk h ILE 306 Cb 0.53 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 3nnk h ILE 306 CO 0.03 0.50 0.06 1.56 -0.69 0.00 0.00 178.15 179.61 3nnk h GLN 307 N 0.32 0.99 0.00 2.37 4.20 -1.15 -2.28 115.11 119.56 3nnk h GLN 307 Ca 0.01 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3nnk h GLN 307 Cb 0.98 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.65 3nnk h GLN 307 CO 0.09 0.94 0.00 0.00 -0.67 0.00 0.00 178.83 179.19 3nnk h ALA 308 N 1.13 1.00 0.00 3.87 0.00 -1.45 -2.48 119.26 121.33 3nnk h ALA 308 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3nnk h ALA 308 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3nnk h ALA 308 CO 0.02 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 179.15 3nnk n MET 309 N -2.76 0.71 -0.83 0.00 0.00 -0.89 -4.12 117.12 109.23 3nnk n MET 309 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.73 3nnk n MET 309 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.07 3nnk n MET 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3nnk n GLY 310 N 0.98 0.51 3.79 -5.12 0.00 -0.93 -4.81 105.19 99.61 3nnk n GLY 310 Ca 0.19 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 4.29 0.55 0.99 1.43 -1.03 -5.05 118.68 119.85 3nnk s LEU 311 Ca 0.00 0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 53.31 3nnk s LEU 311 Cb 0.00 -2.12 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 3nnk s LEU 311 CO 0.00 0.27 1.01 -1.83 0.23 0.00 0.00 176.35 176.03 3nnk s GLU 312 N -0.22 3.74 0.34 1.70 4.04 -1.26 -4.19 118.70 122.84 3nnk s GLU 312 Ca 0.12 1.01 0.09 0.00 0.04 0.00 0.00 54.97 56.23 3nnk s GLU 312 Cb -0.12 -2.10 -0.06 0.00 0.02 0.00 0.00 34.13 31.87 3nnk s GLU 312 CO 0.01 -0.45 -0.03 0.95 -1.84 0.00 0.00 175.26 173.90 3nnk s THR 313 N -2.62 2.45 -0.10 1.83 -4.23 -1.26 -1.19 115.64 110.52 3nnk s THR 313 Ca 0.60 -2.07 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 3nnk s THR 313 Cb -0.12 -2.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 3nnk s THR 313 CO 0.35 -0.19 0.03 0.12 -0.54 0.00 0.00 174.62 174.38 3nnk s PHE 314 N -2.56 3.23 0.00 3.99 5.36 0.23 -4.75 117.98 123.49 3nnk s PHE 314 Ca 0.34 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3nnk s PHE 314 Cb 0.01 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 3nnk s PHE 314 CO 0.18 0.45 0.00 0.41 -1.46 0.00 0.00 175.22 174.80 3nnk n GLY 315 N 2.33 -0.65 3.58 13.12 0.00 -1.26 -4.64 105.19 117.67 3nnk n GLY 315 Ca -0.19 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.28 6.49 0.32 1.61 2.15 -1.21 -4.90 116.67 119.85 3nnk s ASP 316 Ca 0.00 0.14 0.24 0.00 0.43 0.00 0.00 52.55 53.36 3nnk s ASP 316 Cb 0.00 -2.53 1.15 0.00 -0.30 0.00 0.00 42.92 41.24 3nnk s ASP 316 CO 0.00 -1.35 1.73 -0.07 -0.17 0.00 0.00 175.17 175.30 3nnk h LEU 317 N 11.50 0.00 -1.41 -1.34 3.38 -1.95 -1.70 115.31 123.79 3nnk h LEU 317 Ca -0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3nnk h LEU 317 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3nnk h LEU 317 CO 1.14 0.00 0.13 0.11 0.09 0.00 0.00 178.44 179.92 3nnk h LYS 318 N 0.00 0.53 0.00 1.13 1.57 -2.01 -3.28 116.57 114.51 3nnk h LYS 318 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3nnk h LYS 318 Cb 0.18 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3nnk h LYS 318 CO 0.00 0.45 -0.03 0.72 -0.57 0.00 0.00 179.45 180.02 3nnk n HIS 319 N -4.38 0.00 -2.19 -1.35 8.25 -0.65 -5.05 115.22 109.85 3nnk n HIS 319 Ca 0.02 -0.90 -0.37 0.00 -0.26 0.00 0.00 57.72 56.21 3nnk n HIS 319 Cb 0.15 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.56 3.70 0.51 -0.41 2.20 -1.15 0.53 119.74 122.56 3nnk s LYS 320 Ca 0.28 1.86 -0.23 0.00 -0.36 0.00 0.00 55.97 57.52 3nnk s LYS 320 Cb 0.24 -2.42 -0.06 0.00 -1.51 0.00 0.00 37.83 34.08 3nnk s LYS 320 CO 0.03 -0.62 1.32 -1.64 -0.36 0.00 0.00 175.35 174.07 3nnk s MET 321 N -2.68 3.38 0.53 4.03 -1.94 -0.39 -4.66 119.30 117.57 3nnk s MET 321 Ca 0.64 2.15 0.18 0.00 -1.71 0.00 0.00 55.69 56.95 3nnk s MET 321 Cb -0.31 -2.36 1.35 0.00 2.01 0.00 0.00 34.83 35.52 3nnk s MET 321 CO 0.37 -0.97 2.16 -0.91 -0.01 0.00 0.00 175.02 175.66 3nnk h ASN 322 N 1.74 0.00 -0.08 3.03 2.35 -1.88 -3.29 115.58 117.45 3nnk h ASN 322 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3nnk h ASN 322 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 3nnk h ASN 322 CO 0.59 0.01 0.00 -0.46 -1.65 0.00 0.00 177.43 175.92 3nnk n ASN 323 N -4.40 2.35 -3.92 5.81 6.94 -1.26 -4.08 115.26 116.70 3nnk n ASN 323 Ca -0.03 -1.66 -0.14 0.00 -0.02 0.00 0.00 54.58 52.73 3nnk n ASN 323 Cb 0.10 -0.04 -0.14 0.00 -2.36 0.00 0.00 39.78 37.33 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 -1.17 0.22 -0.10 3.53 1.01 -1.24 -0.54 120.40 122.11 3nnk s VAL 324 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3nnk s VAL 324 Cb 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.33 3nnk s VAL 324 CO 0.18 0.06 -0.14 -0.22 0.00 0.00 0.00 175.10 174.98 3nnk s LEU 325 N -0.08 1.67 -0.36 3.92 0.20 -0.06 -4.53 118.68 119.44 3nnk s LEU 325 Ca 0.01 -0.38 -0.21 0.00 0.69 0.00 0.00 54.13 54.24 3nnk s LEU 325 Cb -0.01 -1.00 0.00 0.00 -0.43 0.00 0.00 46.19 44.75 3nnk s LEU 325 CO -0.00 0.02 0.65 -0.83 -0.29 0.00 0.00 176.35 175.90 3nnk s GLY 326 N 0.92 1.74 -0.23 7.98 0.00 -1.26 -0.73 107.32 115.74 3nnk s GLY 326 Ca -0.09 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 43.73 3nnk s GLY 326 CO 0.00 1.52 0.05 0.14 0.00 0.00 0.00 173.10 174.82 3nnk s VAL 327 N 2.76 4.27 0.09 1.40 1.01 0.15 -0.60 120.40 129.48 3nnk s VAL 327 Ca 0.25 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 3nnk s VAL 327 Cb -0.14 -2.98 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 3nnk s VAL 327 CO 0.15 0.37 1.38 -0.69 0.00 0.00 0.00 175.10 176.31 3nnk s VAL 328 N 1.37 3.41 -0.33 2.92 1.01 -0.33 0.02 120.40 128.49 3nnk s VAL 328 Ca 0.05 0.99 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 3nnk s VAL 328 Cb -0.15 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3nnk s VAL 328 CO 0.03 0.06 1.29 -0.63 0.00 0.00 0.00 175.10 175.85 3nnk s ILE 329 N 1.31 4.14 0.78 2.22 1.01 0.72 -4.57 121.20 126.81 3nnk s ILE 329 Ca 0.64 1.27 -0.14 0.00 0.00 0.00 0.00 60.65 62.42 3nnk s ILE 329 Cb -0.36 -4.21 0.06 0.00 0.01 0.00 0.00 42.46 37.97 3nnk s ILE 329 CO 0.30 -0.54 1.21 -0.81 0.00 0.00 0.00 174.94 175.09 3nnk n PRO 330 N 7.41 0.37 -2.09 2.79 -0.04 -1.26 -4.93 135.00 137.25 3nnk n PRO 330 Ca 0.15 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.39 3nnk n PRO 330 Cb 0.47 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 3nnk n PRO 330 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3nnk s GLN 331 N -3.94 4.32 0.00 0.54 0.00 -1.26 -2.87 119.66 116.44 3nnk s GLN 331 Ca 0.75 2.22 0.00 0.00 -0.00 0.00 0.00 55.36 58.33 3nnk s GLN 331 Cb -0.31 -3.11 0.00 0.00 0.00 0.00 0.00 33.01 29.59 3nnk s GLN 331 CO 0.49 -0.31 0.00 0.41 0.00 0.00 0.00 175.29 175.88 3nnk n GLY 332 N 1.77 0.72 3.25 2.60 0.00 -1.26 -5.06 105.19 107.21 3nnk n GLY 332 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nnk s ILE 333 N -2.43 2.45 -0.41 -0.61 -1.09 -1.14 -5.05 121.20 112.92 3nnk s ILE 333 Ca 0.00 -0.86 -0.29 0.00 -2.23 0.00 0.00 60.65 57.27 3nnk s ILE 333 Cb 0.00 -2.00 0.02 0.00 -1.58 0.00 0.00 42.46 38.89 3nnk s ILE 333 CO 0.00 0.53 1.27 0.21 -1.23 0.00 0.00 174.94 175.72 3nnk s ASN 334 N 0.64 6.55 0.30 3.58 3.84 -1.26 -4.86 114.94 123.74 3nnk s ASN 334 Ca -0.10 0.78 -0.01 0.00 0.21 0.00 0.00 52.86 53.74 3nnk s ASN 334 Cb -0.16 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.47 3nnk s ASN 334 CO 0.02 -1.26 1.96 1.23 -2.79 0.00 0.00 177.10 176.26 3nnk h GLY 335 N 11.45 1.17 1.76 1.21 0.00 -1.95 -2.52 103.07 114.19 3nnk h GLY 335 Ca -0.25 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 3nnk h GLY 335 CO 1.09 0.40 -0.45 1.29 0.00 0.00 0.00 176.54 178.86 3nnk h ASP 336 N 1.09 0.28 0.10 0.19 2.03 -1.95 -3.02 116.42 115.13 3nnk h ASP 336 Ca 0.31 -0.13 -0.19 0.00 -0.73 0.00 0.00 57.03 56.30 3nnk h ASP 336 Cb -0.07 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 38.36 3nnk h ASP 336 CO -0.08 0.70 -0.69 -0.61 -1.03 0.00 0.00 179.24 177.53 3nnk h GLN 337 N 0.21 0.54 -0.58 4.15 4.15 -1.87 -1.48 115.11 120.22 3nnk h GLN 337 Ca 0.01 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.01 3nnk h GLN 337 Cb 0.88 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 3nnk h GLN 337 CO 0.07 1.03 0.31 0.00 -1.93 0.00 0.00 178.83 178.32 3nnk h ALA 338 N 0.86 0.75 -0.48 3.38 0.00 -1.48 -1.34 119.26 120.95 3nnk h ALA 338 Ca -0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3nnk h ALA 338 Cb 1.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3nnk h ALA 338 CO 0.13 0.28 0.03 0.00 0.00 0.00 0.00 179.25 179.69 3nnk h ARG 339 N 0.79 0.77 -0.47 0.00 3.08 -1.43 0.17 114.38 117.29 3nnk h ARG 339 Ca 0.20 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3nnk h ARG 339 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3nnk h ARG 339 CO -0.03 0.76 0.12 -0.22 -1.07 0.00 0.00 179.97 179.52 3nnk h LYS 340 N 0.73 0.75 -0.30 0.04 3.64 -0.97 -1.98 116.57 118.47 3nnk h LYS 340 Ca 0.15 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 3nnk h LYS 340 Cb 0.40 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3nnk h LYS 340 CO 0.01 0.73 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.42 3nnk h LEU 341 N 0.63 0.91 -0.77 5.20 3.38 -1.02 -0.54 115.31 123.10 3nnk h LEU 341 Ca 0.15 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.63 3nnk h LEU 341 Cb 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3nnk h LEU 341 CO 0.00 1.24 0.50 0.24 0.09 0.00 0.00 178.44 180.51 3nnk h MET 342 N 0.61 0.96 0.05 1.13 2.86 -0.94 -0.81 114.93 118.79 3nnk h MET 342 Ca 0.03 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3nnk h MET 342 Cb 1.04 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3nnk h MET 342 CO 0.10 0.64 -0.02 1.25 1.06 0.00 0.00 176.91 179.94 3nnk h LEU 343 N 0.99 -0.06 -0.59 1.22 5.85 -0.98 -0.36 115.31 121.38 3nnk h LEU 343 Ca 0.29 -0.52 -0.15 0.00 0.84 0.00 0.00 57.88 58.34 3nnk h LEU 343 Cb -0.05 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3nnk h LEU 343 CO -0.09 0.66 -0.70 -0.33 -0.34 0.00 0.00 178.44 177.65 3nnk h GLU 344 N -0.95 0.03 0.00 1.25 5.08 -1.15 -1.53 114.58 117.32 3nnk h GLU 344 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3nnk h GLU 344 Cb 0.58 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3nnk h GLU 344 CO 0.01 0.72 -1.31 -0.25 -1.00 0.00 0.00 179.01 177.18 3nnk n ASP 345 N -3.72 1.42 0.00 1.42 8.00 -0.31 -4.62 116.55 118.73 3nnk n ASP 345 Ca -0.01 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.22 3nnk n ASP 345 Cb 0.68 1.43 0.00 0.00 -0.02 0.00 0.00 41.12 43.21 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 -1.77 0.00 -1.92 1.24 3.72 -1.01 -5.01 117.46 112.71 3nnk n PHE 346 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 3nnk n PHE 346 Cb 0.31 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 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 0.65 0.43 3.17 1.37 0.00 -0.58 -4.88 105.19 105.35 3nnk n GLY 347 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.61 2.53 -0.29 -0.61 1.01 -0.18 -0.15 121.20 120.89 3nnk s ILE 348 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.45 3nnk s ILE 348 Cb 0.00 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 3nnk s ILE 348 CO 0.00 0.34 0.70 -0.70 0.00 0.00 0.00 174.94 175.28 3nnk s GLU 349 N 1.31 3.98 0.25 2.79 2.12 -0.52 -2.38 118.70 126.24 3nnk s GLU 349 Ca 0.02 0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.92 3nnk s GLU 349 Cb -0.15 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 3nnk s GLU 349 CO -0.08 -0.57 0.09 0.96 -0.54 0.00 0.00 175.26 175.12 3nnk s ILE 350 N 2.72 3.95 0.08 -3.70 -4.36 -1.26 -0.16 121.20 118.47 3nnk s ILE 350 Ca 0.28 -1.61 -0.20 0.00 -0.26 0.00 0.00 60.65 58.86 3nnk s ILE 350 Cb -0.15 -3.10 -0.07 0.00 1.25 0.00 0.00 42.46 40.39 3nnk s ILE 350 CO 0.11 -0.33 0.59 -0.83 0.24 0.00 0.00 174.94 174.73 3nnk s GLY 351 N -3.65 2.70 0.60 6.27 0.00 -0.02 -4.78 107.32 108.43 3nnk s GLY 351 Ca 0.32 0.07 -0.09 0.00 0.00 0.00 0.00 44.72 45.02 3nnk s GLY 351 CO 0.22 0.52 0.96 -1.08 0.00 0.00 0.00 173.10 173.71 3nnk s THR 352 N -1.09 4.28 0.07 0.90 -1.32 -1.26 -1.22 115.64 116.01 3nnk s THR 352 Ca 0.30 0.44 0.01 0.00 -1.21 0.00 0.00 61.69 61.22 3nnk s THR 352 Cb -0.20 -3.70 -0.04 0.00 -1.51 0.00 0.00 72.50 67.05 3nnk s THR 352 CO 0.20 -0.82 0.21 -0.44 -2.21 0.00 0.00 174.62 171.55 3nnk s SER 353 N -4.23 6.29 0.34 8.08 0.01 -1.23 -4.70 113.70 118.26 3nnk s SER 353 Ca 0.53 0.24 0.07 0.00 1.31 0.00 0.00 55.95 58.11 3nnk s SER 353 Cb -0.11 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 3nnk s SER 353 CO 0.49 0.16 0.28 -0.36 0.41 0.00 0.00 173.24 174.22 3nnk s PHE 354 N -1.53 2.88 0.00 2.43 0.08 -1.26 -3.91 117.98 116.68 3nnk s PHE 354 Ca 0.35 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.08 3nnk s PHE 354 Cb -0.13 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3nnk s PHE 354 CO 0.28 0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.99 3nnk n GLY 355 N -1.36 1.39 0.14 4.36 0.00 -1.26 -3.49 105.19 104.97 3nnk n GLY 355 Ca -0.02 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 12.71 0.20 -0.12 1.61 -0.04 -1.26 -3.05 135.00 145.05 3nnk n PRO 356 Ca 0.00 0.46 0.06 0.00 -0.04 0.00 0.00 63.50 63.98 3nnk n PRO 356 Cb 0.00 -1.90 0.12 0.00 -0.04 0.00 0.00 33.50 31.68 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 -2.27 2.65 -4.74 1.53 4.77 -1.23 -4.97 117.00 112.74 3nnk n LEU 357 Ca 0.02 -1.60 -0.42 0.00 -0.03 0.00 0.00 56.01 53.98 3nnk n LEU 357 Cb 0.21 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3nnk n LEU 357 CO 0.19 0.61 1.20 -2.28 -1.33 0.00 0.00 177.39 175.78 3nnk s HIS 358 N -1.02 2.90 -0.55 -1.77 2.46 -1.17 -2.09 115.29 114.05 3nnk s HIS 358 Ca 0.22 0.81 0.00 0.00 0.47 0.00 0.00 55.06 56.55 3nnk s HIS 358 Cb 0.12 -3.97 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 3nnk s HIS 358 CO 0.17 -3.31 0.00 0.41 -2.47 0.00 0.00 174.74 169.54 3nnk n GLY 359 N 2.55 0.73 0.00 1.59 0.00 -1.26 -4.79 105.19 104.00 3nnk n GLY 359 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.97 2.79 -3.92 1.61 4.76 -0.89 -4.77 118.16 115.78 3nnk n LYS 360 Ca -0.05 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.23 3nnk n LYS 360 Cb 0.28 -0.88 -0.16 0.00 -1.84 0.00 0.00 35.03 32.44 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 -1.75 0.14 0.11 -0.18 1.01 -1.06 -0.20 120.40 118.47 3nnk s VAL 361 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 3nnk s VAL 361 Cb 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 3nnk s VAL 361 CO 0.00 0.11 0.43 0.26 0.00 0.00 0.00 175.10 175.90 3nnk s TRP 362 N 0.74 3.55 -0.25 5.22 0.51 0.10 -3.48 118.94 125.33 3nnk s TRP 362 Ca -0.07 0.79 -0.03 0.00 -2.12 0.00 0.00 56.10 54.66 3nnk s TRP 362 Cb -0.10 -2.17 0.01 0.00 -0.81 0.00 0.00 33.47 30.40 3nnk s TRP 362 CO -0.01 0.47 -0.02 1.03 -0.51 0.00 0.00 176.95 177.90 3nnk s ARG 363 N -2.15 3.03 -0.25 4.98 0.52 -0.35 0.31 118.95 125.04 3nnk s ARG 363 Ca 0.37 -0.86 -0.05 0.00 -0.52 0.00 0.00 55.73 54.67 3nnk s ARG 363 Cb -0.13 -3.08 -0.00 0.00 0.52 0.00 0.00 34.95 32.26 3nnk s ARG 363 CO 0.20 -0.36 0.01 0.42 0.02 0.00 0.00 175.30 175.59 3nnk s ILE 364 N 1.40 3.65 0.11 1.52 1.01 0.10 -0.84 121.20 128.14 3nnk s ILE 364 Ca 0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 3nnk s ILE 364 Cb -0.16 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 3nnk s ILE 364 CO -0.03 0.27 0.30 -0.83 0.00 0.00 0.00 174.94 174.65 3nnk s GLY 365 N 1.49 2.21 -0.46 6.18 0.00 -0.15 -0.89 107.32 115.70 3nnk s GLY 365 Ca 0.04 -0.69 0.07 0.00 0.00 0.00 0.00 44.72 44.14 3nnk s GLY 365 CO -0.00 -0.64 0.52 -1.30 0.00 0.00 0.00 173.10 171.68 3nnk n THR 366 N 0.17 -0.09 -4.33 0.90 -2.24 0.30 -4.56 114.28 104.42 3nnk n THR 366 Ca -0.04 -4.17 -0.29 0.00 -2.27 0.00 0.00 64.05 57.29 3nnk n THR 366 Cb 0.51 -1.94 -0.12 0.00 -2.10 0.00 0.00 70.33 66.69 3nnk n THR 366 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 367 N -1.17 1.67 3.55 -0.78 -1.94 -1.26 -4.42 119.30 114.95 3nnk s MET 367 Ca 0.35 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.07 3nnk s MET 367 Cb 0.12 -2.04 0.00 0.00 2.01 0.00 0.00 34.83 34.92 3nnk s MET 367 CO -0.12 0.46 0.00 0.41 -0.01 0.00 0.00 175.02 175.77 3nnk n GLY 368 N 0.75 3.11 0.22 -0.03 0.00 -1.25 -1.43 105.19 106.55 3nnk n GLY 368 Ca -0.16 0.26 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.40 1.61 3.20 -1.82 -2.55 116.97 117.01 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 0.22 0.00 0.09 -1.64 0.00 0.00 178.16 176.83 3nnk n ASN 370 N -4.19 2.87 -3.94 -2.11 3.02 -0.52 -4.48 115.26 105.91 3nnk n ASN 370 Ca -0.02 -2.21 -0.43 0.00 -0.03 0.00 0.00 54.58 51.89 3nnk n ASN 370 Cb 0.28 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nnk n ALA 371 N 0.61 5.21 -2.31 5.41 0.00 -0.96 -4.39 120.51 124.08 3nnk n ALA 371 Ca 0.15 -4.42 -0.16 0.00 0.00 0.00 0.00 53.44 49.00 3nnk n ALA 371 Cb 0.53 -2.84 -0.10 0.00 0.00 0.00 0.00 19.45 17.04 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 -0.25 1.27 0.20 0.00 0.52 -1.26 -4.87 118.95 114.56 3nnk s ARG 372 Ca 0.38 -1.62 -0.12 0.00 -0.52 0.00 0.00 55.73 53.85 3nnk s ARG 372 Cb 0.07 -0.63 0.14 0.00 0.52 0.00 0.00 34.95 35.05 3nnk s ARG 372 CO 0.02 -0.05 1.85 -0.22 0.02 0.00 0.00 175.30 176.93 3nnk h LYS 373 N 2.55 0.80 -0.09 3.54 3.64 -1.98 -3.06 116.57 121.97 3nnk h LYS 373 Ca -0.38 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.84 3nnk h LYS 373 Cb 1.21 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3nnk h LYS 373 CO 0.64 0.53 -0.44 0.38 -2.27 0.00 0.00 179.45 178.29 3nnk h ASP 374 N 0.82 0.22 -0.29 4.20 2.03 -1.97 -1.72 116.42 119.70 3nnk h ASP 374 Ca 0.25 -0.09 -0.09 0.00 -0.73 0.00 0.00 57.03 56.37 3nnk h ASP 374 Cb -0.03 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 3nnk h ASP 374 CO -0.08 0.63 -0.15 0.00 -1.03 0.00 0.00 179.24 178.61 3nnk h VAL 376 N 0.37 0.58 -0.33 0.00 2.07 -1.45 -2.23 116.25 115.26 3nnk h VAL 376 Ca 0.06 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.54 3nnk h VAL 376 Cb 0.67 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3nnk h VAL 376 CO 0.04 0.02 -0.07 0.24 0.02 0.00 0.00 177.57 177.83 3nnk h MET 377 N -0.64 0.02 -0.81 1.57 2.07 -1.34 0.73 114.93 116.53 3nnk h MET 377 Ca -0.06 -0.00 0.05 0.00 -2.07 0.00 0.00 59.70 57.62 3nnk h MET 377 Cb 0.47 -0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.14 3nnk h MET 377 CO 0.10 0.01 0.50 1.15 1.07 0.00 0.00 176.91 179.74 3nnk h THR 378 N 0.02 1.05 -0.32 2.22 2.02 -1.22 -1.56 112.91 115.11 3nnk h THR 378 Ca 0.16 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 3nnk h THR 378 Cb 0.24 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3nnk h THR 378 CO -0.33 0.17 -0.33 0.74 0.37 0.00 0.00 175.52 176.13 3nnk h THR 379 N 0.92 1.29 -0.44 3.16 2.02 -0.74 -1.74 112.91 117.39 3nnk h THR 379 Ca 0.35 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 3nnk h THR 379 Cb 0.14 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3nnk h THR 379 CO -0.16 0.49 0.15 -0.07 0.37 0.00 0.00 175.52 176.30 3nnk h LEU 380 N 0.57 0.63 -0.52 2.58 3.38 -0.61 0.13 115.31 121.47 3nnk h LEU 380 Ca 0.05 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 3nnk h LEU 380 Cb 0.92 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3nnk h LEU 380 CO 0.08 0.65 -0.13 0.77 0.09 0.00 0.00 178.44 179.91 3nnk h SER 381 N 0.56 1.01 -0.57 -0.43 4.64 -1.32 -2.41 113.55 115.04 3nnk h SER 381 Ca 0.14 -0.36 -0.11 0.00 -0.47 0.00 0.00 61.79 60.99 3nnk h SER 381 Cb 0.24 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3nnk h SER 381 CO -0.01 1.14 -0.07 0.00 -0.87 0.00 0.00 176.83 177.03 3nnk h ALA 382 N 0.91 0.78 -0.21 5.18 0.00 -1.17 -1.86 119.26 122.88 3nnk h ALA 382 Ca 0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3nnk h ALA 382 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3nnk h ALA 382 CO 0.05 0.67 0.02 1.25 0.00 0.00 0.00 179.25 181.23 3nnk h LEU 383 N 0.94 0.35 -0.87 0.00 6.46 -0.95 -2.25 115.31 118.99 3nnk h LEU 383 Ca 0.15 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.59 3nnk h LEU 383 Cb 0.64 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 3nnk h LEU 383 CO 0.04 0.55 0.33 -0.08 -0.62 0.00 0.00 178.44 178.67 3nnk h GLU 384 N 0.14 1.16 -0.58 1.25 4.81 -1.40 -1.04 114.58 118.90 3nnk h GLU 384 Ca 0.06 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3nnk h GLU 384 Cb 0.36 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3nnk h GLU 384 CO 0.01 0.92 0.23 0.00 -0.73 0.00 0.00 179.01 179.44 3nnk h ALA 385 N 1.23 0.76 -0.38 2.92 0.00 -1.29 -1.09 119.26 121.41 3nnk h ALA 385 Ca 0.26 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3nnk h ALA 385 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3nnk h ALA 385 CO -0.03 0.38 -0.10 0.28 0.00 0.00 0.00 179.25 179.78 3nnk h VAL 386 N 0.81 1.28 -0.43 0.00 2.07 -1.11 -1.50 116.25 117.36 3nnk h VAL 386 Ca 0.19 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3nnk h VAL 386 Cb 0.21 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3nnk h VAL 386 CO -0.01 0.39 0.13 -0.07 0.02 0.00 0.00 177.57 178.03 3nnk h LEU 387 N 0.54 0.63 -0.55 2.57 3.38 -1.12 -0.46 115.31 120.30 3nnk h LEU 387 Ca 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3nnk h LEU 387 Cb 0.62 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3nnk h LEU 387 CO 0.04 0.67 0.32 0.78 0.09 0.00 0.00 178.44 180.34 3nnk h ASN 388 N 0.55 0.67 -0.90 -0.43 2.35 -1.19 0.11 115.58 116.74 3nnk h ASN 388 Ca 0.14 -0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 3nnk h ASN 388 Cb 0.27 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 3nnk h ASN 388 CO -0.00 0.54 0.58 0.22 -1.65 0.00 0.00 177.43 177.12 3nnk h TYR 389 N 0.74 1.03 -0.17 1.19 -0.00 -1.10 -0.86 116.97 117.80 3nnk h TYR 389 Ca 0.20 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.93 3nnk h TYR 389 Cb 0.00 -0.34 -0.01 0.00 -0.00 0.00 0.00 36.73 36.38 3nnk h TYR 389 CO -0.02 0.54 0.02 1.28 -0.00 0.00 0.00 178.16 179.98 3nnk n LEU 390 N -4.49 2.48 -0.58 2.82 4.32 -0.20 -4.88 117.00 116.48 3nnk n LEU 390 Ca 0.14 -1.26 -0.08 0.00 -0.02 0.00 0.00 56.01 54.79 3nnk n LEU 390 Cb 0.20 -0.55 -0.03 0.00 -1.62 0.00 0.00 43.42 41.42 3nnk n LEU 390 CO 0.33 0.39 -0.07 2.29 -1.22 0.00 0.00 177.39 179.11 3nnk n LYS 391 N 0.15 -0.90 -3.17 3.23 0.00 -0.33 -4.97 118.16 112.18 3nnk n LYS 391 Ca 0.08 0.69 -0.40 0.00 -0.00 0.00 0.00 58.31 58.68 3nnk n LYS 391 Cb 0.54 -4.62 -0.06 0.00 -0.00 0.00 0.00 35.03 30.89 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3nnk s PHE 392 N -2.09 3.36 0.25 5.58 5.36 0.33 -4.98 117.98 125.79 3nnk s PHE 392 Ca 0.00 0.85 -0.20 0.00 -0.96 0.00 0.00 56.93 56.63 3nnk s PHE 392 Cb 0.00 -2.75 -0.09 0.00 -0.34 0.00 0.00 43.02 39.84 3nnk s PHE 392 CO 0.00 -0.16 0.75 -1.25 -1.46 0.00 0.00 175.22 173.10 3nnk s PRO 393 N 1.86 4.24 0.04 10.12 0.04 -1.26 -3.53 135.00 146.51 3nnk s PRO 393 Ca 0.27 0.88 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 3nnk s PRO 393 Cb -0.16 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 3nnk s PRO 393 CO 0.10 0.34 0.12 0.95 0.04 0.00 0.00 177.00 178.55 3nnk s THR 394 N -1.61 0.12 -0.05 1.26 -4.23 -1.26 -4.98 115.64 104.90 3nnk s THR 394 Ca 0.46 -1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 59.65 3nnk s THR 394 Cb -0.16 -0.85 -0.05 0.00 1.34 0.00 0.00 72.50 72.78 3nnk s THR 394 CO 0.21 -0.56 1.41 -0.89 -0.54 0.00 0.00 174.62 174.25 3nnk s THR 395 N -2.49 3.83 -0.21 3.99 2.01 -1.26 -4.91 115.64 116.61 3nnk s THR 395 Ca -0.06 1.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.76 3nnk s THR 395 Cb -0.02 -3.73 -0.08 0.00 0.01 0.00 0.00 72.50 68.68 3nnk s THR 395 CO -0.04 -0.04 2.12 1.67 -0.69 0.00 0.00 174.62 177.64 3nnk n GLN 396 N 5.95 1.84 -0.80 4.92 7.27 -1.26 -1.71 117.38 133.59 3nnk n GLN 396 Ca 0.14 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.78 3nnk n GLN 396 Cb 0.44 -2.89 0.00 0.00 2.41 0.00 0.00 30.24 30.20 3nnk n GLN 396 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 397 N 5.60 0.68 0.14 1.69 0.00 -1.26 -4.95 105.19 107.08 3nnk n GLY 397 Ca 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 0.21 -0.21 4.61 0.00 -1.64 -1.43 119.26 120.80 3nnk h ALA 398 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3nnk h ALA 398 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3nnk h ALA 398 CO 0.00 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.50 3nnk h ALA 399 N 0.57 0.27 -0.25 0.00 0.00 -1.79 -2.25 119.26 115.82 3nnk h ALA 399 Ca 0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3nnk h ALA 399 Cb 0.77 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3nnk h ALA 399 CO 0.05 -0.15 -0.45 0.52 0.00 0.00 0.00 179.25 179.22 3nnk h MET 400 N 0.20 0.63 0.03 0.00 2.07 -1.86 -2.37 114.93 113.63 3nnk h MET 400 Ca 0.07 -0.34 0.01 0.00 -2.07 0.00 0.00 59.70 57.37 3nnk h MET 400 Cb 0.15 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 3nnk h MET 400 CO -0.01 0.95 -0.08 0.37 1.07 0.00 0.00 176.91 179.21 3nnk h GLN 401 N 0.51 -0.15 -0.27 1.72 5.75 -1.18 0.59 115.11 122.08 3nnk h GLN 401 Ca 0.03 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 3nnk h GLN 401 Cb 0.98 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 3nnk h GLN 401 CO 0.09 -0.10 -0.09 0.00 -2.65 0.00 0.00 178.83 176.08 3nnk h ALA 402 N 0.80 1.36 0.03 3.38 0.00 -1.39 0.33 119.26 123.77 3nnk h ALA 402 Ca 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3nnk h ALA 402 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3nnk h ALA 402 CO -0.07 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 3nnk h ALA 403 N 1.51 -0.04 -0.71 0.00 0.00 -1.18 -1.80 119.26 117.04 3nnk h ALA 403 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3nnk h ALA 403 Cb 0.41 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3nnk h ALA 403 CO 0.02 -0.36 0.44 -1.49 0.00 0.00 0.00 179.25 177.86 3nnk h TRP 404 N -0.36 0.83 -0.90 0.00 6.55 -0.61 -2.53 115.95 118.93 3nnk h TRP 404 Ca -0.00 0.02 0.07 0.00 0.95 0.00 0.00 58.89 59.92 3nnk h TRP 404 Cb 0.34 -0.27 -0.06 0.00 -0.86 0.00 0.00 29.16 28.31 3nnk h TRP 404 CO 0.03 0.47 0.59 -0.44 -1.05 0.00 0.00 178.44 178.04 3nnk h ASP 405 N 0.87 0.90 -0.27 -3.49 3.32 -0.29 -1.99 116.42 115.48 3nnk h ASP 405 Ca 0.29 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 3nnk h ASP 405 Cb 0.03 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3nnk h ASP 405 CO -0.11 0.58 -0.20 -0.74 -1.72 0.00 0.00 179.24 177.05 3nnk h HIS 406 N 1.02 0.81 -0.15 4.55 2.76 -0.91 -2.91 115.15 120.33 3nnk h HIS 406 Ca 0.39 -0.17 -0.21 0.00 -2.20 0.00 0.00 60.37 58.18 3nnk h HIS 406 Cb 0.20 -0.20 0.01 0.00 1.55 0.00 0.00 27.41 28.97 3nnk h HIS 406 CO -0.00 0.86 -0.74 1.88 -1.30 0.00 0.00 177.93 178.63 3nnk h TYR 407 N 0.64 0.96 0.00 5.26 0.05 -1.10 -2.42 116.97 120.36 3nnk h TYR 407 Ca 0.10 -0.41 -0.02 0.00 0.05 0.00 0.00 58.73 58.44 3nnk h TYR 407 Cb 0.68 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 3nnk h TYR 407 CO 0.03 1.23 -0.08 0.00 -1.05 0.00 0.00 178.16 178.29 3nnk h ARG 408 N 0.50 0.00 -0.02 4.88 -0.00 -1.43 -2.02 114.38 116.29 3nnk h ARG 408 Ca -0.04 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.40 3nnk h ARG 408 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.33 3nnk h ARG 408 CO 0.15 0.08 -0.15 0.77 0.00 0.00 0.00 179.97 180.82 3nnk h SER 409 N 0.00 0.16 -0.64 7.04 0.02 -1.49 -3.35 113.55 115.29 3nnk h SER 409 Ca -0.00 -0.71 -0.06 0.00 -0.84 0.00 0.00 61.79 60.18 3nnk h SER 409 Cb 0.81 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 3nnk h SER 409 CO 0.01 0.85 0.18 -0.33 -1.14 0.00 0.00 176.83 176.40 3nnk h GLU 410 N -0.51 1.04 0.00 3.45 5.08 -1.35 -3.52 114.58 118.77 3nnk h GLU 410 Ca -0.01 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3nnk h GLU 410 Cb 0.86 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3nnk h GLU 410 CO 0.03 0.91 0.00 2.89 -1.00 0.00 0.00 179.01 181.84