#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk n ASP 2 N 0.00 0.00 0.00 6.12 2.03 -1.26 -5.03 116.55 118.41 3nnk n ASP 2 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3nnk n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3nnk n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3nnk n ILE 3 N 0.00 0.00 0.08 5.18 0.13 -1.26 -4.71 119.36 118.78 3nnk n ILE 3 Ca 0.00 -0.07 -0.08 0.00 -1.10 0.00 0.00 62.75 61.50 3nnk n ILE 3 Cb 0.00 0.55 -0.08 0.00 -0.84 0.00 0.00 39.64 39.28 3nnk n ILE 3 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3nnk h THR 4 N 0.00 1.63 0.00 9.51 1.35 -2.04 -3.23 112.91 120.13 3nnk h THR 4 Ca 0.00 -3.12 0.00 0.00 -0.55 0.00 0.00 66.41 62.74 3nnk h THR 4 Cb 0.00 2.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3nnk h THR 4 CO 0.00 0.90 0.00 0.00 -0.25 0.00 0.00 175.52 176.17 3nnk n GLN 5 N -3.47 0.11 -3.05 4.72 10.64 -1.26 -4.34 117.38 120.72 3nnk n GLN 5 Ca -0.02 0.22 -0.44 0.00 -1.83 0.00 0.00 57.00 54.94 3nnk n GLN 5 Cb 0.90 -1.67 -0.05 0.00 -0.86 0.00 0.00 30.24 28.57 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 -3.10 2.93 0.21 2.61 0.40 -1.22 -5.04 117.98 114.76 3nnk s PHE 6 Ca 0.09 -0.70 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 3nnk s PHE 6 Cb 0.12 -3.95 0.03 0.00 0.51 0.00 0.00 43.02 39.74 3nnk s PHE 6 CO 0.44 -1.30 0.27 -1.13 0.70 0.00 0.00 175.22 174.20 3nnk n SER 7 N 6.65 0.91 -4.66 1.36 3.41 -1.26 -5.00 113.62 115.03 3nnk n SER 7 Ca -0.07 -1.59 -0.35 0.00 -0.26 0.00 0.00 58.87 56.60 3nnk n SER 7 Cb 0.44 -0.13 0.10 0.00 -0.26 0.00 0.00 64.21 64.36 3nnk n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nnk n GLN 8 N -1.39 0.51 -2.00 4.33 0.00 -1.26 -4.90 117.38 112.68 3nnk n GLN 8 Ca 0.05 0.24 -0.42 0.00 0.00 0.00 0.00 57.00 56.86 3nnk n GLN 8 Cb 0.22 -2.36 -0.03 0.00 0.00 0.00 0.00 30.24 28.08 3nnk n GLN 8 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3nnk s LEU 9 N -4.24 4.33 -0.44 2.61 1.98 -1.26 -4.95 118.68 116.71 3nnk s LEU 9 Ca 0.75 2.28 0.05 0.00 -2.89 0.00 0.00 54.13 54.32 3nnk s LEU 9 Cb -0.33 -3.54 0.18 0.00 0.66 0.00 0.00 46.19 43.15 3nnk s LEU 9 CO 0.49 -0.91 0.45 0.21 -1.89 0.00 0.00 176.35 174.69 3nnk s ASN 10 N 3.18 0.59 0.31 3.68 3.04 -1.26 -5.13 114.94 119.34 3nnk s ASN 10 Ca 0.73 -2.69 -0.26 0.00 0.04 0.00 0.00 52.86 50.68 3nnk s ASN 10 Cb -0.34 0.23 -0.10 0.00 -1.54 0.00 0.00 41.25 39.50 3nnk s ASN 10 CO 0.30 -0.14 0.94 -2.16 -3.04 0.00 0.00 177.10 173.00 3nnk s PRO 11 N 0.29 4.61 0.64 0.43 0.04 -1.26 -5.03 135.00 134.72 3nnk s PRO 11 Ca 0.32 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 3nnk s PRO 11 Cb 0.03 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 3nnk s PRO 11 CO -0.16 0.31 1.27 -1.25 0.04 0.00 0.00 177.00 177.22 3nnk s PRO 12 N -1.96 2.61 0.07 0.56 0.04 -1.26 -4.95 135.00 130.11 3nnk s PRO 12 Ca 0.49 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.23 3nnk s PRO 12 Cb -0.19 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3nnk s PRO 12 CO 0.25 -1.54 1.49 0.45 0.04 0.00 0.00 177.00 177.69 3nnk s SER 13 N -1.46 6.74 -0.01 6.66 0.15 -1.26 -5.01 113.70 119.51 3nnk s SER 13 Ca 0.81 2.34 0.01 0.00 0.70 0.00 0.00 55.95 59.82 3nnk s SER 13 Cb -0.36 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.38 3nnk s SER 13 CO 0.39 -0.76 -0.03 -0.13 1.20 0.00 0.00 173.24 173.90 3nnk s ARG 14 N 1.97 0.36 -0.45 5.44 1.81 -1.26 -4.82 118.95 122.00 3nnk s ARG 14 Ca 0.68 -0.11 -0.16 0.00 -1.72 0.00 0.00 55.73 54.42 3nnk s ARG 14 Cb -0.37 -0.39 0.05 0.00 -0.45 0.00 0.00 34.95 33.79 3nnk s ARG 14 CO 0.30 0.04 0.40 -1.17 -0.68 0.00 0.00 175.30 174.19 3nnk s LEU 15 N 0.16 5.29 -0.62 2.53 2.96 0.10 -4.94 118.68 124.18 3nnk s LEU 15 Ca -0.01 -1.06 -0.22 0.00 -0.22 0.00 0.00 54.13 52.61 3nnk s LEU 15 Cb -0.05 -2.24 0.07 0.00 0.50 0.00 0.00 46.19 44.47 3nnk s LEU 15 CO -0.00 -0.61 0.91 -0.76 -1.32 0.00 0.00 176.35 174.56 3nnk s LEU 16 N 1.84 4.48 -0.30 -0.68 1.43 -1.26 -1.06 118.68 123.12 3nnk s LEU 16 Ca 0.07 -0.91 0.08 0.00 -1.03 0.00 0.00 54.13 52.34 3nnk s LEU 16 Cb -0.21 -2.49 0.47 0.00 0.03 0.00 0.00 46.19 43.99 3nnk s LEU 16 CO 0.09 -1.32 1.36 0.23 0.23 0.00 0.00 176.35 176.93 3nnk n MET 17 N 7.40 2.35 -0.36 1.70 2.81 0.33 -4.42 117.12 126.94 3nnk n MET 17 Ca -0.04 -3.53 0.00 0.00 -1.81 0.00 0.00 57.70 52.33 3nnk n MET 17 Cb 0.45 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 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 -0.99 1.48 0.25 3.03 0.00 -0.92 -0.01 105.19 108.03 3nnk n GLY 18 Ca 0.35 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.49 3nnk n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 19 N 0.00 0.00 0.00 1.61 0.13 -1.93 -3.25 132.00 128.56 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 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.25 3nnk n GLY 20 N 0.39 4.46 3.81 1.56 0.00 -1.26 -4.88 105.19 109.26 3nnk n GLY 20 Ca 0.01 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.53 3.02 0.38 1.61 0.04 -1.26 -5.16 135.00 130.11 3nnk s PRO 21 Ca 0.00 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.21 3nnk s PRO 21 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3nnk s PRO 21 CO 0.00 -1.04 0.17 0.96 0.04 0.00 0.00 177.00 177.13 3nnk s ILE 22 N -2.76 2.59 0.02 0.56 -5.25 -0.73 -4.84 121.20 110.79 3nnk s ILE 22 Ca 0.61 -1.69 -0.34 0.00 -0.99 0.00 0.00 60.65 58.24 3nnk s ILE 22 Cb -0.15 -2.97 -0.13 0.00 2.95 0.00 0.00 42.46 42.16 3nnk s ILE 22 CO 0.47 -0.08 1.75 0.59 -1.79 0.00 0.00 174.94 175.89 3nnk n ASN 23 N -1.21 3.31 -4.79 4.36 4.13 -1.26 -4.91 115.26 114.89 3nnk n ASN 23 Ca -0.02 1.02 -0.34 0.00 1.68 0.00 0.00 54.58 56.92 3nnk n ASN 23 Cb 0.63 -1.40 -0.02 0.00 -1.54 0.00 0.00 39.78 37.46 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 2.74 2.79 0.18 5.41 0.00 -1.26 -4.38 121.76 127.24 3nnk s ALA 24 Ca 0.87 0.63 -0.32 0.00 0.00 0.00 0.00 51.96 53.14 3nnk s ALA 24 Cb -0.68 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.05 3nnk s ALA 24 CO 0.46 -0.54 1.59 0.34 0.00 0.00 0.00 175.76 177.61 3nnk s ASP 25 N -2.08 6.54 0.38 0.00 -1.08 -0.13 -4.90 116.67 115.40 3nnk s ASP 25 Ca 0.68 2.68 0.12 0.00 -0.52 0.00 0.00 52.55 55.51 3nnk s ASP 25 Cb -0.18 -2.60 0.92 0.00 -1.46 0.00 0.00 42.92 39.59 3nnk s ASP 25 CO 0.25 -0.85 1.86 -0.65 0.52 0.00 0.00 175.17 176.30 3nnk h PRO 26 N 6.66 0.57 -0.32 4.34 0.11 -1.94 -0.96 132.00 140.46 3nnk h PRO 26 Ca -0.43 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3nnk h PRO 26 Cb 1.20 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3nnk h PRO 26 CO 0.91 0.38 0.09 0.00 -0.21 0.00 0.00 178.00 179.17 3nnk h ARG 27 N 0.58 0.45 -0.34 1.05 -0.00 -1.95 -0.87 114.38 113.30 3nnk h ARG 27 Ca 0.47 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.98 59.79 3nnk h ARG 27 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.78 3nnk h ARG 27 CO -0.21 0.41 -0.16 0.28 0.00 0.00 0.00 179.97 180.29 3nnk h VAL 28 N 0.45 1.29 -0.65 2.04 2.07 -1.49 -1.69 116.25 118.27 3nnk h VAL 28 Ca 0.11 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 3nnk h VAL 28 Cb 0.15 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3nnk h VAL 28 CO -0.01 0.41 0.34 -0.07 0.02 0.00 0.00 177.57 178.26 3nnk h LEU 29 N 0.48 0.84 -0.41 2.57 3.38 -1.13 -2.19 115.31 118.85 3nnk h LEU 29 Ca 0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3nnk h LEU 29 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3nnk h LEU 29 CO 0.05 0.72 0.11 0.03 0.09 0.00 0.00 178.44 179.43 3nnk h ARG 30 N 0.90 0.65 -1.00 1.13 3.08 -1.13 -2.73 114.38 115.28 3nnk h ARG 30 Ca 0.23 -0.15 0.13 0.00 0.07 0.00 0.00 59.98 60.26 3nnk h ARG 30 Cb 0.08 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 3nnk h ARG 30 CO -0.03 0.66 0.63 0.00 -1.07 0.00 0.00 179.97 180.16 3nnk h ALA 31 N 0.96 1.56 0.00 0.04 0.00 -1.10 -1.51 119.26 119.21 3nnk h ALA 31 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3nnk h ALA 31 Cb 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3nnk h ALA 31 CO -0.00 0.17 -0.05 0.52 0.00 0.00 0.00 179.25 179.89 3nnk h MET 32 N 0.95 0.00 -0.01 0.00 2.86 -1.08 -2.76 114.93 114.88 3nnk h MET 32 Ca 0.51 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.15 3nnk h MET 32 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3nnk h MET 32 CO -0.28 0.05 0.00 -1.13 1.06 0.00 0.00 176.91 176.62 3nnk n SER 33 N -3.30 0.74 -4.80 1.22 3.41 -0.57 -4.89 113.62 105.42 3nnk n SER 33 Ca -0.01 -1.26 -0.34 0.00 -0.26 0.00 0.00 58.87 57.00 3nnk n SER 33 Cb 0.22 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.98 6.35 0.82 4.04 0.15 -1.04 -5.03 113.70 117.01 3nnk s SER 34 Ca 0.43 1.86 -0.10 0.00 0.70 0.00 0.00 55.95 58.83 3nnk s SER 34 Cb 0.21 -2.55 0.09 0.00 -1.71 0.00 0.00 66.02 62.06 3nnk s SER 34 CO 0.35 -0.78 1.11 0.00 1.20 0.00 0.00 173.24 175.13 3nnk s GLN 35 N -3.41 1.79 0.38 5.44 0.00 -1.26 -4.99 119.66 117.61 3nnk s GLN 35 Ca 0.66 1.33 0.07 0.00 -0.00 0.00 0.00 55.36 57.42 3nnk s GLN 35 Cb -0.15 -1.83 -0.00 0.00 0.00 0.00 0.00 33.01 31.03 3nnk s GLN 35 CO 0.22 -2.02 0.51 -0.51 0.00 0.00 0.00 175.29 173.50 3nnk s LEU 36 N -6.16 3.80 0.29 2.60 1.43 -1.26 -5.08 118.68 114.30 3nnk s LEU 36 Ca 0.64 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3nnk s LEU 36 Cb -0.19 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 3nnk s LEU 36 CO 0.56 -0.60 0.08 0.27 0.23 0.00 0.00 176.35 176.90 3nnk s ILE 37 N -2.27 0.80 0.74 -0.59 -0.00 -1.26 -5.16 121.20 113.47 3nnk s ILE 37 Ca 0.50 -2.00 -0.14 0.00 -0.00 0.00 0.00 60.65 59.01 3nnk s ILE 37 Cb -0.10 -2.69 0.05 0.00 -0.00 0.00 0.00 42.46 39.72 3nnk s ILE 37 CO 0.32 0.00 1.16 -0.83 -0.00 0.00 0.00 174.94 175.59 3nnk s GLY 38 N -3.40 2.12 0.27 6.27 0.00 -1.26 -4.93 107.32 106.40 3nnk s GLY 38 Ca 0.37 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.77 3nnk s GLY 38 CO 0.15 1.06 1.70 -1.61 0.00 0.00 0.00 173.10 174.40 3nnk h GLN 39 N -0.53 0.37 -0.22 2.90 4.15 -2.01 -2.45 115.11 117.33 3nnk h GLN 39 Ca -0.46 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 58.84 3nnk h GLN 39 Cb 1.27 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.82 3nnk h GLN 39 CO 0.50 0.25 -0.18 0.66 -1.93 0.00 0.00 178.83 178.13 3nnk n TYR 40 N -5.06 0.68 -1.92 3.99 4.01 -1.26 -4.61 117.16 113.00 3nnk n TYR 40 Ca 0.19 -1.45 -0.42 0.00 -0.16 0.00 0.00 57.90 56.07 3nnk n TYR 40 Cb 0.57 -0.38 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.70 6.55 0.46 7.72 -1.08 -0.92 -4.83 116.67 121.86 3nnk s ASP 41 Ca 0.41 2.74 0.31 0.00 -0.52 0.00 0.00 52.55 55.49 3nnk s ASP 41 Cb 0.38 -2.62 1.41 0.00 -1.46 0.00 0.00 42.92 40.63 3nnk s ASP 41 CO -0.01 -0.80 1.67 -0.65 0.52 0.00 0.00 175.17 175.90 3nnk h PRO 42 N 5.55 0.13 -0.18 4.34 0.11 -1.95 0.51 132.00 140.51 3nnk h PRO 42 Ca -0.45 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3nnk h PRO 42 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3nnk h PRO 42 CO 0.83 0.08 -0.42 0.00 -0.21 0.00 0.00 178.00 178.28 3nnk h ALA 43 N 1.52 0.93 -0.06 -0.75 0.00 -1.96 -2.28 119.26 116.66 3nnk h ALA 43 Ca 0.75 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 3nnk h ALA 43 Cb 2.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.13 3nnk h ALA 43 CO -0.30 0.63 -0.34 1.98 0.00 0.00 0.00 179.25 181.23 3nnk h MET 44 N 0.35 0.33 0.00 0.00 -1.53 -0.29 -1.30 114.93 112.49 3nnk h MET 44 Ca 0.03 -0.28 -0.05 0.00 -3.44 0.00 0.00 59.70 55.96 3nnk h MET 44 Cb 0.89 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 32.00 3nnk h MET 44 CO 0.07 0.93 -0.22 1.79 0.14 0.00 0.00 176.91 179.63 3nnk h THR 45 N -0.18 0.88 0.03 -0.77 1.35 -1.49 -1.49 112.91 111.24 3nnk h THR 45 Ca -0.03 -0.84 -0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3nnk h THR 45 Cb 1.00 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3nnk h THR 45 CO 0.07 0.22 -0.02 -0.74 -0.25 0.00 0.00 175.52 174.80 3nnk h HIS 46 N 0.00 -0.04 -0.54 4.73 6.17 -1.34 -2.79 115.15 121.35 3nnk h HIS 46 Ca -0.00 -0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.04 3nnk h HIS 46 Cb 0.48 0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.39 3nnk h HIS 46 CO 0.00 0.31 0.17 1.88 0.71 0.00 0.00 177.93 181.00 3nnk h TYR 47 N -0.39 0.81 -0.80 5.26 0.99 -0.90 -0.77 116.97 121.16 3nnk h TYR 47 Ca -0.00 -0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.73 3nnk h TYR 47 Cb 0.37 -0.24 -0.06 0.00 1.00 0.00 0.00 36.73 37.80 3nnk h TYR 47 CO 0.04 0.65 0.48 0.52 -0.00 0.00 0.00 178.16 179.86 3nnk h MET 48 N 0.78 0.87 -0.40 4.88 2.86 -1.33 0.22 114.93 122.80 3nnk h MET 48 Ca 0.18 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 3nnk h MET 48 Cb 0.22 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3nnk h MET 48 CO -0.01 0.57 -0.15 -0.91 1.06 0.00 0.00 176.91 177.47 3nnk h ASN 49 N 0.89 0.74 -0.66 1.22 -0.26 -1.03 -2.03 115.58 114.45 3nnk h ASN 49 Ca 0.35 -0.23 -0.03 0.00 -0.56 0.00 0.00 56.30 55.82 3nnk h ASN 49 Cb 0.15 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.18 3nnk h ASN 49 CO -0.17 0.90 0.28 -0.33 -1.06 0.00 0.00 177.43 177.05 3nnk h GLU 50 N 0.66 0.98 -0.02 0.81 5.08 -0.63 -2.44 114.58 119.03 3nnk h GLU 50 Ca 0.11 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3nnk h GLU 50 Cb 0.63 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3nnk h GLU 50 CO 0.04 0.81 -0.22 0.28 -1.00 0.00 0.00 179.01 178.93 3nnk h VAL 51 N 0.93 1.16 0.40 3.13 2.07 -0.69 0.03 116.25 123.29 3nnk h VAL 51 Ca 0.22 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3nnk h VAL 51 Cb 0.18 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3nnk h VAL 51 CO -0.02 0.22 -0.19 0.24 0.02 0.00 0.00 177.57 177.84 3nnk h MET 52 N 0.02 -0.52 -0.61 1.57 2.86 -1.06 -2.59 114.93 114.60 3nnk h MET 52 Ca 0.00 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3nnk h MET 52 Cb 0.40 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3nnk h MET 52 CO 0.03 -0.22 0.40 0.00 1.06 0.00 0.00 176.91 178.18 3nnk h ALA 53 N -0.75 0.78 -0.86 6.32 0.00 -1.37 -2.11 119.26 121.27 3nnk h ALA 53 Ca -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3nnk h ALA 53 Cb 0.53 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3nnk h ALA 53 CO 0.09 0.20 0.55 -0.07 0.00 0.00 0.00 179.25 180.02 3nnk h LEU 54 N 0.82 0.92 -0.11 0.00 3.38 -1.09 -2.34 115.31 116.90 3nnk h LEU 54 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3nnk h LEU 54 Cb -0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3nnk h LEU 54 CO -0.05 0.64 0.00 -1.22 0.09 0.00 0.00 178.44 177.89 3nnk n TYR 55 N -4.54 0.84 0.07 1.13 4.01 -0.98 -2.39 117.16 115.30 3nnk n TYR 55 Ca 0.11 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 3nnk n TYR 55 Cb 0.08 -0.92 0.32 0.00 -0.31 0.00 0.00 39.34 38.52 3nnk n TYR 55 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3nnk h ARG 56 N 0.00 0.34 -0.06 -0.72 3.08 -0.82 -2.46 114.38 113.75 3nnk h ARG 56 Ca 0.00 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 3nnk h ARG 56 Cb 0.66 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3nnk h ARG 56 CO 0.00 0.49 -0.14 0.78 -1.07 0.00 0.00 179.97 180.04 3nnk h GLY 57 N 0.86 0.22 1.47 0.04 0.00 -1.41 0.03 103.07 104.28 3nnk h GLY 57 Ca 0.06 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3nnk h GLY 57 CO 0.03 0.24 -0.21 -2.08 0.00 0.00 0.00 176.54 174.52 3nnk h VAL 58 N -0.31 1.26 0.00 4.60 2.07 -1.54 -2.38 116.25 119.94 3nnk h VAL 58 Ca -0.00 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3nnk h VAL 58 Cb 0.74 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3nnk h VAL 58 CO 0.03 0.41 0.00 -0.26 0.02 0.00 0.00 177.57 177.77 3nnk h PHE 59 N 0.55 0.00 -4.46 1.57 0.04 -1.55 -3.46 116.94 109.64 3nnk h PHE 59 Ca 0.08 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.67 3nnk h PHE 59 Cb 0.66 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.93 3nnk h PHE 59 CO 0.03 0.00 -0.52 0.54 -0.60 0.00 0.00 178.31 177.75 3nnk n ARG 60 N -3.10 -2.76 -4.04 1.51 5.12 -0.89 -3.03 116.66 109.47 3nnk n ARG 60 Ca 0.04 0.55 -0.07 0.00 -1.93 0.00 0.00 57.85 56.43 3nnk n ARG 60 Cb 0.51 -4.46 -0.09 0.00 -1.16 0.00 0.00 32.46 27.26 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 -3.24 0.20 -2.15 0.55 -1.32 -0.05 -3.07 115.64 106.55 3nnk s THR 61 Ca 0.16 -1.65 0.23 0.00 -1.21 0.00 0.00 61.69 59.21 3nnk s THR 61 Cb -0.02 -1.44 0.04 0.00 -1.51 0.00 0.00 72.50 69.57 3nnk s THR 61 CO 0.47 -0.91 1.14 -0.62 -2.21 0.00 0.00 174.62 172.49 3nnk n GLU 62 N 0.13 1.34 -1.69 7.08 1.02 -1.26 -4.52 120.64 122.75 3nnk n GLU 62 Ca -0.15 -1.10 -0.61 0.00 -0.02 0.00 0.00 57.16 55.29 3nnk n GLU 62 Cb 0.61 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.47 3nnk n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nnk n ASN 63 N 0.13 1.95 -0.20 1.62 3.02 -1.26 -4.86 115.26 115.66 3nnk n ASN 63 Ca 0.10 1.06 -0.04 0.00 -0.03 0.00 0.00 54.58 55.67 3nnk n ASN 63 Cb 0.48 -1.06 0.06 0.00 -0.61 0.00 0.00 39.78 38.65 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 6.88 0.66 -3.63 3.52 2.43 -1.95 -3.31 114.38 118.98 3nnk h ARG 64 Ca -0.43 -0.04 -0.74 0.00 -0.81 0.00 0.00 59.98 57.96 3nnk h ARG 64 Cb 1.34 -0.15 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 3nnk h ARG 64 CO 0.98 0.43 2.36 0.91 -1.51 0.00 0.00 179.97 183.14 3nnk n TRP 65 N -4.77 3.09 -4.03 2.20 7.02 -1.26 -4.86 117.44 114.83 3nnk n TRP 65 Ca 0.05 -2.84 -0.33 0.00 -1.02 0.00 0.00 57.50 53.36 3nnk n TRP 65 Cb 0.10 -2.12 -0.15 0.00 -2.42 0.00 0.00 31.31 26.71 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 1.19 2.48 0.00 -0.99 2.01 -1.25 -1.63 115.64 117.44 3nnk s THR 66 Ca 0.42 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.28 3nnk s THR 66 Cb 0.11 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.37 3nnk s THR 66 CO -0.02 0.25 0.00 1.15 -0.69 0.00 0.00 174.62 175.30 3nnk n MET 67 N 4.60 0.00 -4.88 4.92 0.00 -0.86 -4.34 117.12 116.56 3nnk n MET 67 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.22 3nnk n MET 67 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.55 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 2.48 -0.20 3.17 1.43 -1.26 -1.95 118.68 122.34 3nnk s LEU 68 Ca 0.00 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 3nnk s LEU 68 Cb 0.00 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 3nnk s LEU 68 CO 0.00 0.29 0.06 -0.69 0.23 0.00 0.00 176.35 176.24 3nnk s VAL 69 N -0.80 4.56 -0.95 -1.59 1.01 -0.31 -4.96 120.40 117.37 3nnk s VAL 69 Ca 0.13 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 3nnk s VAL 69 Cb -0.10 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.25 3nnk s VAL 69 CO 0.02 0.42 1.38 -1.81 0.00 0.00 0.00 175.10 175.11 3nnk s ASP 70 N 0.80 6.43 0.00 3.32 -0.00 -1.26 -1.70 116.67 124.26 3nnk s ASP 70 Ca 0.03 -1.28 0.00 0.00 -0.00 0.00 0.00 52.55 51.30 3nnk s ASP 70 Cb -0.14 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.23 3nnk s ASP 70 CO 0.02 -1.54 0.00 0.61 -0.00 0.00 0.00 175.17 174.26 3nnk n GLY 71 N 6.44 1.94 3.58 0.21 0.00 -0.74 -5.00 105.19 111.62 3nnk n GLY 71 Ca 0.25 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 2.08 0.34 2.61 -4.23 -1.25 -2.11 115.64 111.08 3nnk s THR 72 Ca 0.00 0.03 0.13 0.00 -1.18 0.00 0.00 61.69 60.66 3nnk s THR 72 Cb 0.00 -2.08 0.37 0.00 1.34 0.00 0.00 72.50 72.12 3nnk s THR 72 CO 0.00 -0.03 1.59 0.28 -0.54 0.00 0.00 174.62 175.92 3nnk h SER 73 N -2.27 0.06 0.64 3.99 0.02 -1.81 0.50 113.55 114.68 3nnk h SER 73 Ca -0.53 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3nnk h SER 73 Cb 1.30 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.17 3nnk h SER 73 CO 0.47 -0.36 0.00 -2.11 -1.14 0.00 0.00 176.83 173.69 3nnk n ARG 74 N -5.31 0.15 0.08 3.45 1.85 -1.26 -2.48 116.66 113.14 3nnk n ARG 74 Ca 0.31 0.08 -0.10 0.00 -1.00 0.00 0.00 57.85 57.15 3nnk n ARG 74 Cb 1.04 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.90 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 2.95 0.41 -0.19 2.89 0.00 -0.28 -1.40 119.26 123.64 3nnk h ALA 75 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 54.91 53.96 3nnk h ALA 75 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3nnk h ALA 75 CO 0.00 0.99 -0.54 0.78 0.00 0.00 0.00 179.25 180.48 3nnk h GLY 76 N 2.02 0.59 0.90 0.00 0.00 -1.53 0.19 103.07 105.24 3nnk h GLY 76 Ca -0.06 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 3nnk h GLY 76 CO 0.15 0.61 -0.09 -2.22 0.00 0.00 0.00 176.54 174.99 3nnk h ILE 77 N 0.42 0.86 -0.48 2.60 2.04 -1.52 -1.49 117.51 119.93 3nnk h ILE 77 Ca 0.01 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3nnk h ILE 77 Cb 1.07 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3nnk h ILE 77 CO 0.10 0.05 0.27 -0.08 0.00 0.00 0.00 178.15 178.50 3nnk h GLU 78 N -0.36 0.67 -0.53 2.37 4.81 -1.23 -1.20 114.58 119.12 3nnk h GLU 78 Ca -0.03 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.24 3nnk h GLU 78 Cb 0.28 -0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.43 3nnk h GLU 78 CO 0.04 0.52 -0.03 0.00 -0.73 0.00 0.00 179.01 178.80 3nnk h ALA 79 N 1.12 0.47 -0.24 2.92 0.00 -0.52 0.20 119.26 123.20 3nnk h ALA 79 Ca 0.17 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 3nnk h ALA 79 Cb 0.03 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3nnk h ALA 79 CO -0.03 -0.40 -0.14 0.82 0.00 0.00 0.00 179.25 179.49 3nnk h ILE 80 N 0.08 1.31 0.00 0.00 2.04 -1.00 -2.76 117.51 117.18 3nnk h ILE 80 Ca 0.27 -1.25 -0.15 0.00 1.00 0.00 0.00 64.86 64.73 3nnk h ILE 80 Cb 0.41 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3nnk h ILE 80 CO -0.47 0.39 -0.71 -0.07 0.00 0.00 0.00 178.15 177.28 3nnk h LEU 81 N 0.25 0.00 -0.49 1.44 3.38 -0.84 -0.94 115.31 118.10 3nnk h LEU 81 Ca 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3nnk h LEU 81 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3nnk h LEU 81 CO 0.04 0.71 -0.72 0.58 0.09 0.00 0.00 178.44 179.14 3nnk h VAL 82 N 0.00 1.43 0.02 1.22 2.07 -0.69 -2.27 116.25 118.04 3nnk h VAL 82 Ca -0.01 -2.25 -0.21 0.00 0.82 0.00 0.00 66.70 65.06 3nnk h VAL 82 Cb 1.40 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 3nnk h VAL 82 CO 0.09 0.66 -0.97 0.28 0.02 0.00 0.00 177.57 177.65 3nnk h SER 83 N 0.15 0.11 0.49 0.57 0.02 -1.35 -3.36 113.55 110.19 3nnk h SER 83 Ca -0.02 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3nnk h SER 83 Cb 1.28 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3nnk h SER 83 CO 0.11 1.01 -1.33 0.00 -1.14 0.00 0.00 176.83 175.48 3nnk n ALA 84 N -2.40 2.91 -3.08 3.77 0.00 -0.37 -4.69 120.51 116.64 3nnk n ALA 84 Ca -0.02 -0.38 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 3nnk n ALA 84 Cb 0.89 -0.95 -0.12 0.00 0.00 0.00 0.00 19.45 19.28 3nnk n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nnk s ILE 85 N -3.36 4.09 0.41 0.00 1.01 -0.85 -5.06 121.20 117.43 3nnk s ILE 85 Ca -0.02 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 3nnk s ILE 85 Cb 0.12 -3.26 -0.10 0.00 0.01 0.00 0.00 42.46 39.24 3nnk s ILE 85 CO 0.83 -0.14 1.00 -0.13 0.00 0.00 0.00 174.94 176.50 3nnk s ARG 86 N 1.47 4.21 0.26 2.79 3.00 -1.26 -4.84 118.95 124.59 3nnk s ARG 86 Ca 0.00 1.34 -0.30 0.00 0.00 0.00 0.00 55.73 56.78 3nnk s ARG 86 Cb -0.19 -2.42 -0.14 0.00 0.00 0.00 0.00 34.95 32.20 3nnk s ARG 86 CO 0.04 -0.07 1.25 -2.30 0.00 0.00 0.00 175.30 174.22 3nnk n PRO 87 N -0.24 1.74 0.00 3.54 -0.02 -1.26 -1.74 135.00 137.03 3nnk n PRO 87 Ca 0.06 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3nnk n PRO 87 Cb 0.51 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.62 3.19 3.73 -1.23 0.00 -0.00 -4.98 105.19 107.52 3nnk n GLY 88 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 3.04 -4.80 1.61 8.00 -0.71 -4.37 116.55 119.32 3nnk n ASP 89 Ca 0.00 1.17 -0.39 0.00 0.71 0.00 0.00 54.79 56.28 3nnk n ASP 89 Cb 0.00 -1.54 -0.06 0.00 -0.02 0.00 0.00 41.12 39.50 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 -2.11 4.33 -0.02 -1.24 1.02 -1.26 -1.94 119.74 118.51 3nnk s LYS 90 Ca 0.57 0.87 0.01 0.00 0.02 0.00 0.00 55.97 57.44 3nnk s LYS 90 Cb -0.51 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 3nnk s LYS 90 CO 0.61 0.60 -0.01 0.08 -0.92 0.00 0.00 175.35 175.71 3nnk s VAL 91 N -1.06 0.17 -0.16 3.17 1.01 -0.89 -0.77 120.40 121.87 3nnk s VAL 91 Ca 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3nnk s VAL 91 Cb -0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 3nnk s VAL 91 CO 0.21 0.11 -0.10 -0.22 0.00 0.00 0.00 175.10 175.10 3nnk s LEU 92 N 0.61 2.77 -0.28 3.92 2.96 -0.30 -0.58 118.68 127.78 3nnk s LEU 92 Ca -0.06 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3nnk s LEU 92 Cb -0.09 -1.65 0.08 0.00 0.50 0.00 0.00 46.19 45.03 3nnk s LEU 92 CO -0.01 0.10 0.01 -0.69 -1.32 0.00 0.00 176.35 174.44 3nnk s VAL 93 N 0.72 1.58 -0.68 1.68 1.01 0.12 -0.39 120.40 124.44 3nnk s VAL 93 Ca -0.05 -1.55 -0.26 0.00 0.00 0.00 0.00 61.98 60.12 3nnk s VAL 93 Cb -0.15 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3nnk s VAL 93 CO 0.02 -0.35 1.75 -2.84 0.00 0.00 0.00 175.10 173.67 3nnk s PRO 94 N 1.32 2.75 -0.18 2.72 0.02 -1.23 -2.42 135.00 137.97 3nnk s PRO 94 Ca 0.02 0.31 -0.26 0.00 0.02 0.00 0.00 61.00 61.09 3nnk s PRO 94 Cb -0.19 -4.44 -0.01 0.00 0.02 0.00 0.00 34.50 29.88 3nnk s PRO 94 CO -0.11 -2.67 0.86 0.08 -0.33 0.00 0.00 177.00 174.83 3nnk s VAL 95 N 8.44 4.85 -0.03 3.83 1.01 -0.01 -4.75 120.40 133.74 3nnk s VAL 95 Ca 0.61 1.68 0.09 0.00 0.00 0.00 0.00 61.98 64.36 3nnk s VAL 95 Cb -0.11 -4.16 0.16 0.00 0.00 0.00 0.00 36.38 32.27 3nnk s VAL 95 CO 0.17 -0.00 1.07 2.22 0.00 0.00 0.00 175.10 178.56 3nnk n PHE 96 N 5.37 0.00 -1.14 5.22 1.16 -1.26 -3.13 117.46 123.68 3nnk n PHE 96 Ca 0.05 -0.32 0.00 0.00 -1.87 0.00 0.00 57.45 55.32 3nnk n PHE 96 Cb 0.48 -0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.26 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 -0.12 -1.30 0.31 4.97 0.00 -1.26 -4.62 105.19 103.17 3nnk n GLY 97 Ca 0.04 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.15 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 0.39 0.00 1.61 1.12 -1.95 -2.83 114.38 112.72 3nnk h ARG 98 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 3nnk h ARG 98 Cb 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 29.87 3nnk h ARG 98 CO 0.00 0.26 -0.26 0.74 -3.11 0.00 0.00 179.97 177.59 3nnk h PHE 99 N 0.40 0.00 -0.11 2.20 0.04 -1.96 -2.67 116.94 114.83 3nnk h PHE 99 Ca 0.14 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 3nnk h PHE 99 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3nnk h PHE 99 CO -0.00 0.00 -0.22 0.78 -0.60 0.00 0.00 178.31 178.27 3nnk h GLY 100 N 4.25 0.20 1.81 -1.45 0.00 -1.84 -2.86 103.07 103.18 3nnk h GLY 100 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 3nnk h GLY 100 CO 0.00 0.13 -0.54 0.45 0.00 0.00 0.00 176.54 176.58 3nnk h HIS 101 N 0.17 0.25 -0.52 5.60 3.86 -1.52 -2.95 115.15 120.05 3nnk h HIS 101 Ca 0.03 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 3nnk h HIS 101 Cb 0.48 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 3nnk h HIS 101 CO 0.01 0.70 0.14 1.25 0.86 0.00 0.00 177.93 180.89 3nnk h LEU 102 N 0.16 0.77 -1.47 2.43 5.85 -1.43 -2.65 115.31 118.97 3nnk h LEU 102 Ca 0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3nnk h LEU 102 Cb 1.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3nnk h LEU 102 CO 0.08 0.79 0.23 -0.07 -0.34 0.00 0.00 178.44 179.13 3nnk h LEU 103 N 0.72 0.52 -0.17 2.25 3.38 -1.41 -1.29 115.31 119.31 3nnk h LEU 103 Ca 0.17 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3nnk h LEU 103 Cb 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3nnk h LEU 103 CO -0.00 0.43 0.01 0.00 0.09 0.00 0.00 178.44 178.97 3nnk h GLU 105 N 0.05 0.63 -0.38 0.00 4.39 -1.12 0.31 114.58 118.45 3nnk h GLU 105 Ca 0.05 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.58 3nnk h GLU 105 Cb 0.35 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3nnk h GLU 105 CO 0.01 0.73 0.20 0.82 -1.16 0.00 0.00 179.01 179.60 3nnk h ILE 106 N 0.45 0.99 -0.94 3.13 2.04 -1.29 -1.66 117.51 120.22 3nnk h ILE 106 Ca 0.10 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3nnk h ILE 106 Cb 0.43 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3nnk h ILE 106 CO 0.02 0.07 0.62 0.00 0.00 0.00 0.00 178.15 178.86 3nnk h ALA 107 N 1.19 1.33 -0.90 1.87 0.00 -1.14 -2.50 119.26 119.13 3nnk h ALA 107 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3nnk h ALA 107 Cb 0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3nnk h ALA 107 CO -0.10 0.61 0.56 -0.09 0.00 0.00 0.00 179.25 180.23 3nnk h ARG 108 N 1.27 1.20 0.00 0.00 2.43 -0.34 -2.34 114.38 116.60 3nnk h ARG 108 Ca 0.35 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3nnk h ARG 108 Cb -0.13 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.15 3nnk h ARG 108 CO -0.08 0.83 -0.32 0.00 -1.51 0.00 0.00 179.97 178.88 3nnk h ARG 109 N 1.23 0.00 0.00 0.20 2.47 -0.96 -1.62 114.38 115.69 3nnk h ARG 109 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 3nnk h ARG 109 Cb -0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 3nnk h ARG 109 CO -0.06 0.32 0.00 0.00 0.56 0.00 0.00 179.97 180.79 3nnk n ARG 111 N -0.84 -4.66 -3.10 0.00 1.74 -0.61 -4.08 116.66 105.12 3nnk n ARG 111 Ca 0.13 0.75 -0.27 0.00 -0.77 0.00 0.00 57.85 57.70 3nnk n ARG 111 Cb 0.06 -5.33 -0.02 0.00 -1.02 0.00 0.00 32.46 26.16 3nnk n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk s ALA 112 N -3.12 3.56 -0.36 7.54 0.00 -0.91 -0.82 121.76 127.65 3nnk s ALA 112 Ca 0.30 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 3nnk s ALA 112 Cb -0.13 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.64 3nnk s ALA 112 CO 0.38 -0.05 0.99 -2.00 0.00 0.00 0.00 175.76 175.08 3nnk s GLU 113 N -4.19 3.91 -0.47 0.00 2.12 -0.82 -4.62 118.70 114.62 3nnk s GLU 113 Ca 0.44 0.73 -0.16 0.00 0.36 0.00 0.00 54.97 56.34 3nnk s GLU 113 Cb -0.10 -3.79 0.06 0.00 0.26 0.00 0.00 34.13 30.56 3nnk s GLU 113 CO 0.37 -0.96 0.43 0.08 -0.54 0.00 0.00 175.26 174.64 3nnk s VAL 114 N 3.60 5.15 -0.09 3.70 1.01 -1.26 -2.10 120.40 130.41 3nnk s VAL 114 Ca 0.41 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3nnk s VAL 114 Cb -0.12 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3nnk s VAL 114 CO 0.19 -0.58 0.25 -1.00 0.00 0.00 0.00 175.10 173.95 3nnk s HIS 115 N 1.88 3.62 0.03 5.22 3.76 0.25 -5.02 115.29 125.03 3nnk s HIS 115 Ca 0.07 0.68 0.02 0.00 -0.15 0.00 0.00 55.06 55.68 3nnk s HIS 115 Cb -0.22 -2.11 -0.02 0.00 1.11 0.00 0.00 32.58 31.34 3nnk s HIS 115 CO 0.09 0.63 -0.06 0.95 -0.85 0.00 0.00 174.74 175.49 3nnk s THR 116 N -0.79 0.44 0.09 1.30 -4.23 -1.26 -0.71 115.64 110.48 3nnk s THR 116 Ca 0.18 -0.80 0.09 0.00 -1.18 0.00 0.00 61.69 59.98 3nnk s THR 116 Cb -0.14 -0.48 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 3nnk s THR 116 CO 0.07 -0.25 -0.24 0.27 -0.54 0.00 0.00 174.62 173.92 3nnk s ILE 117 N -1.01 2.00 -0.05 2.99 -4.36 -1.02 -4.95 121.20 114.80 3nnk s ILE 117 Ca -0.07 -1.52 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 3nnk s ILE 117 Cb -0.08 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 41.88 3nnk s ILE 117 CO 0.00 0.14 -0.15 -1.61 0.24 0.00 0.00 174.94 173.55 3nnk s GLU 118 N -1.68 1.73 0.28 0.37 2.02 -1.26 -0.83 118.70 119.33 3nnk s GLU 118 Ca 0.11 -0.54 0.11 0.00 0.02 0.00 0.00 54.97 54.66 3nnk s GLU 118 Cb -0.10 -1.48 -0.05 0.00 0.10 0.00 0.00 34.13 32.60 3nnk s GLU 118 CO 0.04 0.18 -0.14 0.14 0.02 0.00 0.00 175.26 175.49 3nnk s VAL 119 N 0.20 2.70 0.69 2.63 -7.23 -1.18 -5.04 120.40 113.17 3nnk s VAL 119 Ca -0.07 -2.27 -0.11 0.00 -1.81 0.00 0.00 61.98 57.72 3nnk s VAL 119 Cb -0.12 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.37 3nnk s VAL 119 CO 0.03 -0.38 1.06 -2.16 -0.31 0.00 0.00 175.10 173.34 3nnk s PRO 120 N -3.56 2.96 0.02 4.82 0.04 -1.26 -4.61 135.00 133.41 3nnk s PRO 120 Ca 0.31 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 3nnk s PRO 120 Cb -0.05 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3nnk s PRO 120 CO 0.16 -1.05 1.07 -1.58 0.04 0.00 0.00 177.00 175.65 3nnk s TRP 121 N -3.12 3.55 -0.78 0.56 0.52 -1.26 0.81 118.94 119.23 3nnk s TRP 121 Ca 0.58 1.52 0.03 0.00 0.02 0.00 0.00 56.10 58.25 3nnk s TRP 121 Cb -0.13 -3.25 0.21 0.00 -1.15 0.00 0.00 33.47 29.15 3nnk s TRP 121 CO 0.54 -0.56 0.69 0.41 0.02 0.00 0.00 176.95 178.05 3nnk n GLY 122 N 3.05 4.28 3.94 0.98 0.00 -1.26 -4.94 105.19 111.23 3nnk n GLY 122 Ca 0.07 -2.64 -0.19 0.00 0.00 0.00 0.00 46.02 43.27 3nnk n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nnk s GLU 123 N -1.72 2.69 0.21 1.61 2.02 0.24 -2.19 118.70 121.56 3nnk s GLU 123 Ca 0.29 -1.38 0.08 0.00 0.02 0.00 0.00 54.97 53.98 3nnk s GLU 123 Cb -0.01 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.62 3nnk s GLU 123 CO -0.11 -0.21 -0.14 0.54 0.02 0.00 0.00 175.26 175.36 3nnk s VAL 124 N -2.40 1.75 0.21 2.63 0.11 -1.26 -4.80 120.40 116.64 3nnk s VAL 124 Ca 0.51 -2.21 -0.24 0.00 -2.93 0.00 0.00 61.98 57.10 3nnk s VAL 124 Cb -0.06 -2.07 -0.08 0.00 -1.53 0.00 0.00 36.38 32.63 3nnk s VAL 124 CO 0.30 -0.57 0.80 -0.36 -3.33 0.00 0.00 175.10 171.94 3nnk s PHE 125 N -2.96 3.82 0.16 1.54 0.08 -1.26 -5.02 117.98 114.34 3nnk s PHE 125 Ca 0.23 1.62 -0.16 0.00 0.12 0.00 0.00 56.93 58.75 3nnk s PHE 125 Cb -0.01 -2.77 -0.07 0.00 -0.57 0.00 0.00 43.02 39.60 3nnk s PHE 125 CO 0.07 0.42 0.59 0.99 -0.10 0.00 0.00 175.22 177.20 3nnk s THR 126 N -1.31 4.79 0.28 0.64 2.01 -1.26 -4.77 115.64 116.02 3nnk s THR 126 Ca 0.40 0.94 0.02 0.00 0.31 0.00 0.00 61.69 63.36 3nnk s THR 126 Cb -0.21 -3.77 0.27 0.00 0.01 0.00 0.00 72.50 68.81 3nnk s THR 126 CO 0.25 0.24 1.79 -0.65 -0.69 0.00 0.00 174.62 175.56 3nnk h PRO 127 N 3.53 0.76 -0.76 4.92 0.11 -1.95 -1.49 132.00 137.12 3nnk h PRO 127 Ca -0.48 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.59 3nnk h PRO 127 Cb 1.19 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 3nnk h PRO 127 CO 0.66 0.50 0.51 -0.44 -0.21 0.00 0.00 178.00 179.01 3nnk h ASP 128 N 0.78 0.87 -0.48 -2.05 3.32 -1.98 -1.44 116.42 115.44 3nnk h ASP 128 Ca 0.51 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.49 3nnk h ASP 128 Cb 0.69 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3nnk h ASP 128 CO -0.34 0.62 0.09 1.56 -1.72 0.00 0.00 179.24 179.45 3nnk h GLN 129 N 1.02 0.79 -0.05 3.56 4.20 -1.68 0.20 115.11 123.15 3nnk h GLN 129 Ca 0.28 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 3nnk h GLN 129 Cb -0.10 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3nnk h GLN 129 CO -0.06 0.79 -0.61 -0.39 -0.67 0.00 0.00 178.83 177.88 3nnk h VAL 130 N 0.66 1.40 -0.47 -0.54 -1.51 -1.32 -2.69 116.25 111.77 3nnk h VAL 130 Ca 0.15 -2.03 -0.11 0.00 -1.23 0.00 0.00 66.70 63.48 3nnk h VAL 130 Cb 0.38 2.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3nnk h VAL 130 CO 0.01 0.59 -0.13 -0.08 -1.23 0.00 0.00 177.57 176.73 3nnk h GLU 131 N 0.12 0.92 -0.51 5.19 4.81 -0.97 0.74 114.58 124.88 3nnk h GLU 131 Ca -0.01 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 3nnk h GLU 131 Cb 1.11 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3nnk h GLU 131 CO 0.09 1.02 0.08 -0.44 -0.73 0.00 0.00 179.01 179.02 3nnk h ASP 132 N 0.77 0.76 -0.04 1.04 3.45 -0.94 -0.85 116.42 120.61 3nnk h ASP 132 Ca 0.12 -0.15 -0.21 0.00 0.43 0.00 0.00 57.03 57.21 3nnk h ASP 132 Cb 0.69 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 39.26 3nnk h ASP 132 CO 0.05 0.78 -0.77 0.00 -1.57 0.00 0.00 179.24 177.73 3nnk h ALA 133 N 1.31 0.39 -0.08 3.45 0.00 -1.29 -2.36 119.26 120.68 3nnk h ALA 133 Ca 0.16 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3nnk h ALA 133 Cb 0.36 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3nnk h ALA 133 CO 0.01 0.71 0.02 0.28 0.00 0.00 0.00 179.25 180.27 3nnk h VAL 134 N 0.47 1.18 -0.90 0.00 2.07 -0.72 -1.90 116.25 116.45 3nnk h VAL 134 Ca -0.05 -0.55 0.15 0.00 0.82 0.00 0.00 66.70 67.07 3nnk h VAL 134 Cb 1.38 1.39 -0.09 0.00 -1.52 0.00 0.00 31.29 32.45 3nnk h VAL 134 CO 0.15 0.16 0.50 0.11 0.02 0.00 0.00 177.57 178.50 3nnk h LYS 135 N -0.06 0.68 0.00 1.57 1.57 -1.20 -1.66 116.57 117.47 3nnk h LYS 135 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3nnk h LYS 135 Cb 0.23 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3nnk h LYS 135 CO -0.00 0.45 0.00 0.54 -0.57 0.00 0.00 179.45 179.87 3nnk n ARG 136 N -4.81 0.00 0.12 3.15 1.74 -0.89 -4.32 116.66 111.65 3nnk n ARG 136 Ca 0.18 0.47 0.12 0.00 -0.77 0.00 0.00 57.85 57.86 3nnk n ARG 136 Cb 0.44 -1.39 0.24 0.00 -1.02 0.00 0.00 32.46 30.73 3nnk n ARG 136 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3nnk h ILE 137 N 0.00 0.00 -5.42 0.55 -2.65 -1.35 -3.49 117.51 105.15 3nnk h ILE 137 Ca 0.00 -0.68 -0.02 0.00 1.03 0.00 0.00 64.86 65.19 3nnk h ILE 137 Cb 0.00 1.51 0.00 0.00 -2.05 0.00 0.00 36.82 36.28 3nnk h ILE 137 CO 0.00 0.00 -0.06 0.54 0.03 0.00 0.00 178.15 178.66 3nnk n ARG 138 N -2.49 -1.36 -3.11 0.16 3.00 -0.63 -4.98 116.66 107.25 3nnk n ARG 138 Ca 0.04 1.49 -0.32 0.00 -0.01 0.00 0.00 57.85 59.05 3nnk n ARG 138 Cb 0.47 -5.64 -0.05 0.00 0.00 0.00 0.00 32.46 27.24 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 -3.06 3.93 0.14 5.56 0.04 -1.26 -4.84 135.00 135.50 3nnk s PRO 139 Ca 0.01 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.62 3nnk s PRO 139 Cb -0.00 -2.45 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 3nnk s PRO 139 CO 0.76 0.13 1.31 -0.09 0.04 0.00 0.00 177.00 179.15 3nnk h ARG 140 N 2.07 0.24 -4.75 4.56 2.43 -1.28 -3.39 114.38 114.26 3nnk h ARG 140 Ca -0.48 -0.29 -0.46 0.00 -0.81 0.00 0.00 59.98 57.94 3nnk h ARG 140 Cb 1.18 0.09 -0.31 0.00 -0.42 0.00 0.00 29.97 30.51 3nnk h ARG 140 CO 0.65 1.04 -0.80 -0.51 -1.51 0.00 0.00 179.97 178.85 3nnk s LEU 141 N -7.38 1.81 -0.24 3.80 2.01 -1.16 0.29 118.68 117.80 3nnk s LEU 141 Ca -0.03 -0.23 -0.10 0.00 0.01 0.00 0.00 54.13 53.78 3nnk s LEU 141 Cb 0.09 -0.65 -0.05 0.00 0.01 0.00 0.00 46.19 45.60 3nnk s LEU 141 CO 0.85 0.08 0.14 -0.22 1.01 0.00 0.00 176.35 178.21 3nnk s LEU 142 N 0.18 3.94 -0.21 1.79 2.96 0.11 -1.15 118.68 126.30 3nnk s LEU 142 Ca -0.04 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3nnk s LEU 142 Cb -0.09 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.55 3nnk s LEU 142 CO 0.01 0.04 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.21 3nnk s LEU 143 N 1.18 2.66 0.20 -0.68 1.43 0.47 -1.62 118.68 122.34 3nnk s LEU 143 Ca 0.06 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 3nnk s LEU 143 Cb -0.14 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 3nnk s LEU 143 CO 0.05 -0.04 -0.16 0.42 0.23 0.00 0.00 176.35 176.85 3nnk s THR 144 N 1.36 1.86 -0.17 5.49 -4.23 -1.12 -3.57 115.64 115.26 3nnk s THR 144 Ca 0.04 -2.15 -0.09 0.00 -1.18 0.00 0.00 61.69 58.31 3nnk s THR 144 Cb -0.14 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.63 3nnk s THR 144 CO -0.08 -0.49 0.13 -0.69 -0.54 0.00 0.00 174.62 172.96 3nnk s VAL 145 N -2.64 5.40 -0.06 2.29 1.01 -1.26 -0.95 120.40 124.18 3nnk s VAL 145 Ca 0.22 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 3nnk s VAL 145 Cb -0.03 -3.42 -0.16 0.00 0.00 0.00 0.00 36.38 32.77 3nnk s VAL 145 CO 0.08 0.51 0.83 -0.61 0.00 0.00 0.00 175.10 175.91 3nnk h GLN 146 N 6.03 -0.15 -4.48 2.72 4.15 -1.38 -3.42 115.11 118.59 3nnk h GLN 146 Ca -0.46 0.01 -0.59 0.00 0.77 0.00 0.00 58.65 58.37 3nnk h GLN 146 Cb 1.18 0.03 -0.37 0.00 0.21 0.00 0.00 27.48 28.53 3nnk h GLN 146 CO 0.69 0.34 -0.81 0.20 -1.93 0.00 0.00 178.83 177.32 3nnk s GLY 147 N -3.42 1.15 -0.51 2.39 0.00 -1.26 -0.03 107.32 105.64 3nnk s GLY 147 Ca -0.13 -1.04 -0.17 0.00 0.00 0.00 0.00 44.72 43.38 3nnk s GLY 147 CO 0.49 0.73 0.54 -0.35 0.00 0.00 0.00 173.10 174.51 3nnk s ASP 148 N 1.48 6.19 0.65 1.64 -1.08 -0.76 -4.57 116.67 120.22 3nnk s ASP 148 Ca 0.01 -1.27 0.39 0.00 -0.52 0.00 0.00 52.55 51.15 3nnk s ASP 148 Cb -0.15 -2.24 2.15 0.00 -1.46 0.00 0.00 42.92 41.22 3nnk s ASP 148 CO -0.09 -0.84 2.28 0.71 0.52 0.00 0.00 175.17 177.75 3nnk h THR 149 N 5.84 0.16 -0.08 1.71 1.35 -1.94 0.11 112.91 120.06 3nnk h THR 149 Ca -0.29 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.49 3nnk h THR 149 Cb 1.10 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 3nnk h THR 149 CO 0.97 0.00 -0.35 0.77 -0.25 0.00 0.00 175.52 176.66 3nnk h SER 150 N 0.00 0.15 0.00 5.36 4.64 -1.97 -3.27 113.55 118.47 3nnk h SER 150 Ca 0.01 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3nnk h SER 150 Cb 0.12 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3nnk h SER 150 CO -0.00 0.50 0.00 0.35 -0.87 0.00 0.00 176.83 176.81 3nnk n THR 151 N -4.09 0.00 -0.99 2.95 -2.24 -0.78 -4.94 114.28 104.19 3nnk n THR 151 Ca -0.01 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3nnk n THR 151 Cb 0.42 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.05 0.00 -3.28 4.28 -2.24 0.30 -4.84 114.28 108.45 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 0.03 -0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 67.49 3nnk n THR 152 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 153 N -1.41 4.04 -0.28 -0.78 -1.94 -1.20 -0.53 119.30 117.20 3nnk s MET 153 Ca 0.00 0.59 0.01 0.00 -1.71 0.00 0.00 55.69 54.58 3nnk s MET 153 Cb 0.00 -2.87 0.06 0.00 2.01 0.00 0.00 34.83 34.03 3nnk s MET 153 CO 0.00 0.43 -0.07 -1.17 -0.01 0.00 0.00 175.02 174.20 3nnk s LEU 154 N -2.08 3.66 -0.03 -0.03 1.98 0.43 -1.82 118.68 120.79 3nnk s LEU 154 Ca 0.41 -1.39 -0.30 0.00 -2.89 0.00 0.00 54.13 49.96 3nnk s LEU 154 Cb -0.15 -1.61 -0.05 0.00 0.66 0.00 0.00 46.19 45.05 3nnk s LEU 154 CO 0.20 -0.22 1.37 -1.58 -1.89 0.00 0.00 176.35 174.22 3nnk s GLN 155 N 1.15 4.28 0.15 1.98 2.00 0.96 -4.82 119.66 125.36 3nnk s GLN 155 Ca -0.07 1.90 -0.31 0.00 -2.00 0.00 0.00 55.36 54.87 3nnk s GLN 155 Cb -0.20 -3.63 -0.10 0.00 0.80 0.00 0.00 33.01 29.88 3nnk s GLN 155 CO -0.04 -0.59 1.65 -2.14 -0.50 0.00 0.00 175.29 173.68 3nnk s PRO 156 N 2.63 4.18 -0.05 1.67 0.02 -1.26 -4.88 135.00 137.31 3nnk s PRO 156 Ca 0.62 2.44 0.08 0.00 0.02 0.00 0.00 61.00 64.17 3nnk s PRO 156 Cb -0.29 -3.27 -0.12 0.00 0.02 0.00 0.00 34.50 30.84 3nnk s PRO 156 CO 0.24 -0.69 0.10 1.28 -0.33 0.00 0.00 177.00 177.60 3nnk n LEU 157 N 4.49 0.00 -0.34 -5.54 4.32 -1.26 -4.75 117.00 113.92 3nnk n LEU 157 Ca 0.15 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 56.28 3nnk n LEU 157 Cb 0.38 0.12 0.33 0.00 -1.62 0.00 0.00 43.42 42.63 3nnk n LEU 157 CO 0.63 0.12 1.17 0.00 -1.22 0.00 0.00 177.39 178.08 3nnk h ALA 158 N 0.59 1.64 -0.00 -1.18 0.00 -1.92 -0.12 119.26 118.28 3nnk h ALA 158 Ca -0.13 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3nnk h ALA 158 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3nnk h ALA 158 CO 0.01 -0.13 -0.25 0.39 0.00 0.00 0.00 179.25 179.27 3nnk n GLU 159 N -4.83 0.03 0.08 0.00 1.02 -1.26 -4.19 120.64 111.49 3nnk n GLU 159 Ca 0.24 -0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 3nnk n GLU 159 Cb 0.61 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.39 3nnk n GLU 159 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3nnk h LEU 160 N 0.03 0.28 -0.89 -4.62 4.07 -1.31 -3.33 115.31 109.55 3nnk h LEU 160 Ca 0.00 -0.32 -0.04 0.00 0.08 0.00 0.00 57.88 57.60 3nnk h LEU 160 Cb 0.49 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 3nnk h LEU 160 CO 0.00 1.26 0.32 1.23 -1.08 0.00 0.00 178.44 180.17 3nnk h GLY 161 N 2.08 1.22 0.94 0.83 0.00 -1.66 -2.63 103.07 103.86 3nnk h GLY 161 Ca -0.13 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.53 3nnk h GLY 161 CO 0.17 0.61 0.12 0.83 0.00 0.00 0.00 176.54 178.26 3nnk h GLU 162 N 1.11 0.64 -0.46 4.80 4.39 -1.81 -2.38 114.58 120.87 3nnk h GLU 162 Ca 0.26 -0.14 0.09 0.00 0.34 0.00 0.00 59.36 59.90 3nnk h GLU 162 Cb 0.18 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.67 3nnk h GLU 162 CO -0.02 0.65 0.00 0.82 -1.16 0.00 0.00 179.01 179.29 3nnk h ILE 163 N 0.51 0.64 0.00 3.13 2.04 -1.63 -1.39 117.51 120.81 3nnk h ILE 163 Ca 0.13 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3nnk h ILE 163 Cb 0.28 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3nnk h ILE 163 CO -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 178.15 178.06 3nnk h ARG 165 N 0.00 0.00 0.01 0.00 -0.00 -0.74 -1.17 114.38 112.48 3nnk h ARG 165 Ca -0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.76 3nnk h ARG 165 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.16 3nnk h ARG 165 CO 0.01 0.38 -1.08 0.00 -0.00 0.00 0.00 179.97 179.28 3nnk h ARG 166 N 0.00 0.02 -0.14 0.08 3.08 -0.97 -3.35 114.38 113.09 3nnk h ARG 166 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3nnk h ARG 166 Cb 1.12 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3nnk h ARG 166 CO 0.05 0.97 0.00 0.66 -1.07 0.00 0.00 179.97 180.58 3nnk n TYR 167 N -3.34 0.19 -2.99 3.04 4.01 -1.13 -5.00 117.16 111.93 3nnk n TYR 167 Ca -0.02 -0.27 -0.18 0.00 -0.16 0.00 0.00 57.90 57.27 3nnk n TYR 167 Cb 0.96 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 40.01 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 0.34 -5.21 -4.84 7.72 4.64 -0.63 -4.93 116.55 113.65 3nnk n ASP 168 Ca 0.07 -0.28 -0.38 0.00 -1.38 0.00 0.00 54.79 52.82 3nnk n ASP 168 Cb 0.30 -3.99 -0.06 0.00 -1.04 0.00 0.00 41.12 36.33 3nnk n ASP 168 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3nnk s ALA 169 N -3.10 3.73 0.07 -1.67 0.00 -0.54 -4.85 121.76 115.40 3nnk s ALA 169 Ca 0.30 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 3nnk s ALA 169 Cb -0.13 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 3nnk s ALA 169 CO 0.37 0.50 0.98 -0.51 0.00 0.00 0.00 175.76 177.11 3nnk s LEU 170 N -1.08 4.45 -0.34 0.00 1.43 0.14 -4.60 118.68 118.68 3nnk s LEU 170 Ca 0.22 1.77 -0.08 0.00 -1.03 0.00 0.00 54.13 55.01 3nnk s LEU 170 Cb -0.16 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.51 3nnk s LEU 170 CO 0.12 -0.16 0.14 0.12 0.23 0.00 0.00 176.35 176.80 3nnk s PHE 171 N 0.39 3.24 0.12 0.29 5.36 -1.26 0.08 117.98 126.19 3nnk s PHE 171 Ca 0.49 -1.20 0.06 0.00 -0.96 0.00 0.00 56.93 55.32 3nnk s PHE 171 Cb -0.23 -2.33 -0.04 0.00 -0.34 0.00 0.00 43.02 40.08 3nnk s PHE 171 CO 0.29 -0.68 -0.02 -0.47 -1.46 0.00 0.00 175.22 172.89 3nnk s TYR 172 N 1.47 2.90 -0.02 10.12 6.14 -0.64 -0.14 117.35 137.18 3nnk s TYR 172 Ca 0.00 -0.08 -0.03 0.00 0.64 0.00 0.00 57.07 57.60 3nnk s TYR 172 Cb -0.19 -1.47 0.00 0.00 0.42 0.00 0.00 41.96 40.73 3nnk s TYR 172 CO 0.04 0.48 0.07 -0.08 0.64 0.00 0.00 175.55 176.70 3nnk s THR 173 N -1.43 0.01 -0.43 4.34 -1.32 -0.60 -2.79 115.64 113.42 3nnk s THR 173 Ca 0.26 -0.09 -0.21 0.00 -1.21 0.00 0.00 61.69 60.43 3nnk s THR 173 Cb -0.11 -0.13 0.02 0.00 -1.51 0.00 0.00 72.50 70.77 3nnk s THR 173 CO 0.18 -0.05 0.69 -0.62 -2.21 0.00 0.00 174.62 172.60 3nnk s ASP 174 N -0.13 6.36 -0.09 8.08 -1.08 -0.12 -2.60 116.67 127.10 3nnk s ASP 174 Ca -0.02 -0.22 0.12 0.00 -0.52 0.00 0.00 52.55 51.91 3nnk s ASP 174 Cb -0.01 -2.34 0.23 0.00 -1.46 0.00 0.00 42.92 39.34 3nnk s ASP 174 CO 0.00 -0.80 1.14 0.00 0.52 0.00 0.00 175.17 176.03 3nnk n ALA 175 N 6.38 2.26 -0.36 3.66 0.00 -0.22 -0.95 120.51 131.28 3nnk n ALA 175 Ca -0.00 -2.00 0.11 0.00 0.00 0.00 0.00 53.44 51.54 3nnk n ALA 175 Cb 0.48 -0.31 0.29 0.00 0.00 0.00 0.00 19.45 19.91 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 0.35 0.79 0.00 0.00 1.35 -1.81 0.11 112.91 113.69 3nnk h THR 176 Ca 0.00 -0.29 -0.14 0.00 -0.55 0.00 0.00 66.41 65.42 3nnk h THR 176 Cb 0.88 -0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.14 3nnk h THR 176 CO 0.03 0.16 -0.86 0.00 -0.25 0.00 0.00 175.52 174.59 3nnk h ALA 177 N 1.60 0.62 0.02 6.62 0.00 -1.86 -3.35 119.26 122.92 3nnk h ALA 177 Ca 0.55 -0.66 -0.38 0.00 0.00 0.00 0.00 54.91 54.42 3nnk h ALA 177 Cb 0.74 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3nnk h ALA 177 CO -0.34 0.82 -2.34 -1.13 0.00 0.00 0.00 179.25 176.27 3nnk n SER 178 N -3.15 1.53 -4.67 0.00 3.41 -0.56 -4.67 113.62 105.51 3nnk n SER 178 Ca -0.02 -0.02 -0.48 0.00 -0.26 0.00 0.00 58.87 58.09 3nnk n SER 178 Cb 0.80 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 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 -3.18 3.07 0.00 1.04 7.94 0.27 -1.29 117.00 124.86 3nnk n LEU 179 Ca -0.39 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 3nnk n LEU 179 Cb 1.04 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.61 3nnk n LEU 179 CO 0.33 -0.27 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 3nnk n GLY 180 N 3.74 3.16 0.01 -3.96 0.00 -1.26 -4.38 105.19 102.50 3nnk n GLY 180 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.15 -0.59 3.05 -0.02 0.00 -0.41 -3.74 105.19 102.33 3nnk n GLY 181 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.47 0.40 0.35 1.61 0.01 -0.47 -4.66 114.94 108.70 3nnk s ASN 182 Ca -0.05 -0.80 -0.29 0.00 -0.71 0.00 0.00 52.86 51.02 3nnk s ASN 182 Cb 0.08 0.16 -0.11 0.00 0.41 0.00 0.00 41.25 41.79 3nnk s ASN 182 CO 0.54 -0.48 1.53 -2.84 -1.51 0.00 0.00 177.10 174.35 3nnk s PRO 183 N -2.94 4.11 -0.31 -0.60 0.02 -1.26 -4.65 135.00 129.37 3nnk s PRO 183 Ca -0.02 2.58 0.01 0.00 0.02 0.00 0.00 61.00 63.59 3nnk s PRO 183 Cb 0.01 -2.99 0.14 0.00 0.02 0.00 0.00 34.50 31.69 3nnk s PRO 183 CO -0.06 -0.58 0.33 -1.17 -0.33 0.00 0.00 177.00 175.19 3nnk s LEU 184 N -1.49 -0.25 -1.10 -5.54 2.96 -1.26 -5.01 118.68 106.99 3nnk s LEU 184 Ca 0.57 -0.97 -0.14 0.00 -0.22 0.00 0.00 54.13 53.37 3nnk s LEU 184 Cb -0.47 0.59 0.19 0.00 0.50 0.00 0.00 46.19 47.00 3nnk s LEU 184 CO 0.58 -0.35 1.26 -1.61 -1.32 0.00 0.00 176.35 174.91 3nnk s GLU 185 N 2.10 3.98 0.10 1.98 0.41 -1.26 -4.47 118.70 121.53 3nnk s GLU 185 Ca 0.12 -2.53 -0.31 0.00 -0.41 0.00 0.00 54.97 51.84 3nnk s GLU 185 Cb -0.14 -4.88 -0.13 0.00 -1.78 0.00 0.00 34.13 27.20 3nnk s GLU 185 CO -0.24 -1.63 1.49 1.15 -0.49 0.00 0.00 175.26 175.55 3nnk h THR 186 N 4.71 0.00 -0.14 3.63 2.02 -1.59 0.18 112.91 121.73 3nnk h THR 186 Ca 0.24 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.26 3nnk h THR 186 Cb 0.92 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3nnk h THR 186 CO 1.13 0.00 -0.60 0.44 0.37 0.00 0.00 175.52 176.87 3nnk h ASP 187 N -0.63 0.52 0.10 4.18 5.19 -1.82 -1.46 116.42 122.50 3nnk h ASP 187 Ca 0.00 -0.29 -0.12 0.00 -0.62 0.00 0.00 57.03 56.01 3nnk h ASP 187 Cb 0.66 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 3nnk h ASP 187 CO -0.30 0.99 -0.40 -0.37 -3.12 0.00 0.00 179.24 176.05 3nnk h VAL 188 N 0.34 1.30 -0.18 -1.35 -1.51 -1.77 -2.85 116.25 110.24 3nnk h VAL 188 Ca -0.00 -1.52 0.00 0.00 -1.23 0.00 0.00 66.70 63.94 3nnk h VAL 188 Cb 1.13 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 3nnk h VAL 188 CO 0.11 0.47 0.00 0.79 -1.23 0.00 0.00 177.57 177.70 3nnk n TRP 189 N -4.03 0.23 -3.21 5.19 8.01 0.62 -4.97 117.44 119.28 3nnk n TRP 189 Ca -0.01 -0.11 -0.16 0.00 -1.31 0.00 0.00 57.50 55.90 3nnk n TRP 189 Cb 0.49 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.85 3nnk n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3nnk n GLY 190 N 1.23 -0.13 3.82 6.99 0.00 -0.95 -3.82 105.19 112.33 3nnk n GLY 190 Ca 0.17 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.43 4.11 -0.22 0.99 1.43 -0.59 -4.78 118.68 114.18 3nnk s LEU 191 Ca 0.29 1.55 0.11 0.00 -1.03 0.00 0.00 54.13 55.04 3nnk s LEU 191 Cb -0.13 -4.17 -0.21 0.00 0.03 0.00 0.00 46.19 41.72 3nnk s LEU 191 CO 0.53 -0.20 -0.06 0.47 0.23 0.00 0.00 176.35 177.31 3nnk n ASP 192 N -0.15 0.93 -3.73 2.29 8.00 0.80 -4.54 116.55 120.16 3nnk n ASP 192 Ca 0.04 -0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 3nnk n ASP 192 Cb 0.53 0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 41.88 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 -2.50 -0.70 -0.01 2.24 0.00 -1.13 -0.57 121.76 119.09 3nnk s ALA 193 Ca -0.21 1.10 0.05 0.00 0.00 0.00 0.00 51.96 52.91 3nnk s ALA 193 Cb 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3nnk s ALA 193 CO 0.72 -0.21 -0.17 0.08 0.00 0.00 0.00 175.76 176.18 3nnk s VAL 194 N 1.14 1.37 -0.02 0.00 1.01 -0.73 -1.55 120.40 121.61 3nnk s VAL 194 Ca -0.08 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3nnk s VAL 194 Cb -0.09 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 3nnk s VAL 194 CO -0.08 0.35 -0.12 -0.94 0.00 0.00 0.00 175.10 174.31 3nnk s SER 195 N -0.49 1.46 0.30 3.32 1.04 -1.07 -1.46 113.70 116.79 3nnk s SER 195 Ca 0.06 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.29 3nnk s SER 195 Cb -0.07 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 3nnk s SER 195 CO -0.00 0.12 0.07 0.00 0.98 0.00 0.00 173.24 174.41 3nnk n ALA 196 N 3.00 0.36 -2.31 5.32 0.00 0.44 -1.05 120.51 126.27 3nnk n ALA 196 Ca -0.16 -1.44 -0.16 0.00 0.00 0.00 0.00 53.44 51.68 3nnk n ALA 196 Cb 0.55 0.91 -0.10 0.00 0.00 0.00 0.00 19.45 20.81 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 -2.75 1.62 -0.13 0.00 0.00 -1.26 -3.63 107.32 101.17 3nnk s GLY 197 Ca 0.10 -1.81 0.02 0.00 0.00 0.00 0.00 44.72 43.04 3nnk s GLY 197 CO 0.07 -1.60 0.30 1.03 0.00 0.00 0.00 173.10 172.90 3nnk n MET 198 N -0.42 0.70 -0.17 2.90 2.81 -1.24 -4.68 117.12 117.02 3nnk n MET 198 Ca -0.02 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 3nnk n MET 198 Cb 0.65 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3nnk n GLN 199 N -3.25 0.99 0.00 0.03 0.00 -1.22 -0.62 117.38 113.29 3nnk n GLN 199 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.69 3nnk n GLN 199 Cb 1.05 -1.01 0.00 0.00 0.00 0.00 0.00 30.24 30.28 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 0.13 -2.83 0.00 4.07 -1.77 -3.36 115.31 111.56 3nnk h LEU 202 Ca 0.00 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 57.15 3nnk h LEU 202 Cb 0.16 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3nnk h LEU 202 CO 0.00 1.34 -0.01 0.61 -1.08 0.00 0.00 178.44 179.29 3nnk n GLY 203 N 1.59 -0.59 0.00 0.83 0.00 0.20 -4.77 105.19 102.46 3nnk n GLY 203 Ca -0.21 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.13 0.58 3.77 -0.02 0.00 -1.26 -0.96 105.19 106.17 3nnk n GLY 204 Ca 0.00 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 3nnk n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 205 N 0.00 4.33 0.65 1.61 0.04 -1.26 -3.43 135.00 136.94 3nnk s PRO 205 Ca 0.00 0.78 -0.18 0.00 0.04 0.00 0.00 61.00 61.64 3nnk s PRO 205 Cb 0.00 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 3nnk s PRO 205 CO 0.00 0.39 1.28 -1.54 0.04 0.00 0.00 177.00 177.17 3nnk s SER 206 N -0.29 4.63 0.00 6.66 1.04 -1.26 -4.44 113.70 120.03 3nnk s SER 206 Ca 0.32 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.32 3nnk s SER 206 Cb -0.19 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.32 3nnk s SER 206 CO 0.18 -1.98 0.00 0.61 0.98 0.00 0.00 173.24 173.03 3nnk n GLY 207 N 0.81 -0.10 2.94 7.32 0.00 -1.26 -4.97 105.19 109.93 3nnk n GLY 207 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 3nnk n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nnk s THR 208 N -0.71 0.33 -0.28 2.61 2.01 -0.90 -1.78 115.64 116.91 3nnk s THR 208 Ca 0.00 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.85 3nnk s THR 208 Cb 0.00 -0.29 0.08 0.00 0.01 0.00 0.00 72.50 72.30 3nnk s THR 208 CO 0.00 0.10 -0.02 -0.55 -0.69 0.00 0.00 174.62 173.46 3nnk s SER 209 N -0.03 4.33 0.25 3.53 0.15 -0.69 -3.65 113.70 117.59 3nnk s SER 209 Ca 0.01 -1.61 -0.30 0.00 0.70 0.00 0.00 55.95 54.75 3nnk s SER 209 Cb -0.02 -1.39 -0.09 0.00 -1.71 0.00 0.00 66.02 62.80 3nnk s SER 209 CO -0.00 -0.29 1.28 -2.84 1.20 0.00 0.00 173.24 172.58 3nnk s PRO 210 N 1.18 4.41 0.12 5.44 0.02 -1.24 -1.16 135.00 143.78 3nnk s PRO 210 Ca 0.01 2.07 0.05 0.00 0.02 0.00 0.00 61.00 63.15 3nnk s PRO 210 Cb -0.19 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 3nnk s PRO 210 CO -0.09 -0.17 -0.12 0.96 -0.33 0.00 0.00 177.00 177.26 3nnk s ILE 211 N -0.46 1.16 -0.00 2.83 -4.36 -0.82 -0.42 121.20 119.13 3nnk s ILE 211 Ca 0.52 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.17 3nnk s ILE 211 Cb -0.37 -1.53 -0.00 0.00 1.25 0.00 0.00 42.46 41.81 3nnk s ILE 211 CO 0.43 -0.53 -0.04 0.28 0.24 0.00 0.00 174.94 175.31 3nnk s THR 212 N -2.48 0.35 -0.08 8.37 -1.32 -0.54 -2.03 115.64 117.92 3nnk s THR 212 Ca 0.09 -0.24 0.02 0.00 -1.21 0.00 0.00 61.69 60.35 3nnk s THR 212 Cb -0.03 -0.31 0.01 0.00 -1.51 0.00 0.00 72.50 70.67 3nnk s THR 212 CO 0.02 0.06 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.61 3nnk s LEU 213 N -0.20 1.60 0.83 9.08 1.43 -0.65 -1.77 118.68 128.99 3nnk s LEU 213 Ca 0.01 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 3nnk s LEU 213 Cb -0.02 -0.87 0.09 0.00 0.03 0.00 0.00 46.19 45.41 3nnk s LEU 213 CO -0.00 0.01 1.09 -0.94 0.23 0.00 0.00 176.35 176.74 3nnk s SER 214 N 0.85 4.13 0.43 2.29 1.04 0.26 -4.35 113.70 118.34 3nnk s SER 214 Ca -0.11 1.54 0.17 0.00 0.48 0.00 0.00 55.95 58.03 3nnk s SER 214 Cb -0.15 -2.26 1.07 0.00 0.10 0.00 0.00 66.02 64.78 3nnk s SER 214 CO 0.01 -2.23 1.90 0.00 0.98 0.00 0.00 173.24 173.90 3nnk h ALA 215 N -1.27 2.16 -0.13 5.32 0.00 -1.94 -1.37 119.26 122.04 3nnk h ALA 215 Ca -0.47 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 3nnk h ALA 215 Cb 1.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3nnk h ALA 215 CO 0.55 -0.39 -0.66 0.07 0.00 0.00 0.00 179.25 178.82 3nnk h ARG 216 N 0.41 0.49 -0.49 0.00 -0.00 -1.94 -3.18 114.38 109.67 3nnk h ARG 216 Ca 0.41 -0.36 -0.07 0.00 -0.00 0.00 0.00 59.98 59.96 3nnk h ARG 216 Cb 0.98 0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 31.00 3nnk h ARG 216 CO -0.14 0.98 0.05 0.52 -0.00 0.00 0.00 179.97 181.38 3nnk h MET 217 N 0.36 0.83 -0.55 0.08 2.07 -1.53 -2.78 114.93 113.40 3nnk h MET 217 Ca -0.02 -0.24 -0.02 0.00 -2.07 0.00 0.00 59.70 57.36 3nnk h MET 217 Cb 1.22 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.84 3nnk h MET 217 CO 0.12 0.84 0.26 1.05 1.07 0.00 0.00 176.91 180.25 3nnk h GLU 218 N 0.69 0.77 -0.45 1.72 4.11 -1.53 -0.90 114.58 118.99 3nnk h GLU 218 Ca 0.14 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3nnk h GLU 218 Cb 0.44 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3nnk h GLU 218 CO 0.02 0.61 0.28 1.49 0.07 0.00 0.00 179.01 181.47 3nnk h GLU 219 N 0.77 0.61 -0.42 1.06 4.81 -1.51 0.26 114.58 120.16 3nnk h GLU 219 Ca 0.19 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3nnk h GLU 219 Cb 0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3nnk h GLU 219 CO -0.02 0.43 0.01 0.00 -0.73 0.00 0.00 179.01 178.70 3nnk h ALA 220 N 1.14 1.23 0.11 2.92 0.00 -1.10 -2.46 119.26 121.11 3nnk h ALA 220 Ca 0.16 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 3nnk h ALA 220 Cb -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 17.61 3nnk h ALA 220 CO -0.03 0.51 -1.10 0.82 0.00 0.00 0.00 179.25 179.45 3nnk h ILE 221 N 0.64 1.33 0.00 0.00 2.04 -0.86 -3.26 117.51 117.40 3nnk h ILE 221 Ca 0.13 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.58 3nnk h ILE 221 Cb 0.38 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3nnk h ILE 221 CO 0.01 0.72 0.00 0.03 0.00 0.00 0.00 178.15 178.92 3nnk h ARG 222 N 0.13 0.00 0.00 2.37 -0.00 -0.44 -0.71 114.38 115.73 3nnk h ARG 222 Ca -0.17 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.27 3nnk h ARG 222 Cb 1.80 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.77 3nnk h ARG 222 CO 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 179.97 180.01 3nnk h ARG 223 N 0.00 0.00 -0.68 0.04 3.08 -1.48 -2.90 114.38 112.44 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 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3nnk h ARG 223 CO 0.00 0.18 0.00 0.54 -1.07 0.00 0.00 179.97 179.62 3nnk n ARG 224 N -3.46 3.03 -1.62 0.04 1.74 -0.28 -0.59 116.66 115.52 3nnk n ARG 224 Ca -0.01 -2.59 -0.48 0.00 -0.77 0.00 0.00 57.85 54.01 3nnk n ARG 224 Cb 0.35 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 3nnk n ARG 224 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3nnk n LYS 225 N 1.33 1.51 -3.42 5.56 4.81 -1.10 -4.06 118.16 122.80 3nnk n LYS 225 Ca 0.24 0.54 0.01 0.00 -0.87 0.00 0.00 58.31 58.23 3nnk n LYS 225 Cb 0.70 -2.14 -0.03 0.00 0.02 0.00 0.00 35.03 33.57 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 2.77 5.05 0.12 0.00 1.01 -1.26 -4.91 120.40 123.18 3nnk s VAL 227 Ca 0.01 0.98 -0.34 0.00 0.00 0.00 0.00 61.98 62.63 3nnk s VAL 227 Cb -0.11 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.33 3nnk s VAL 227 CO -0.18 0.44 1.61 1.21 0.00 0.00 0.00 175.10 178.18 3nnk n GLU 228 N 2.77 2.11 -0.33 2.72 0.00 -1.26 -4.75 120.64 121.89 3nnk n GLU 228 Ca -0.10 0.76 0.12 0.00 0.00 0.00 0.00 57.16 57.95 3nnk n GLU 228 Cb 0.52 -2.54 0.25 0.00 0.00 0.00 0.00 31.44 29.67 3nnk n GLU 228 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3nnk n GLU 229 N 3.80 -0.08 0.06 5.31 2.13 -1.26 -1.53 120.64 129.06 3nnk n GLU 229 Ca 0.18 1.45 0.01 0.00 0.66 0.00 0.00 57.16 59.46 3nnk n GLU 229 Cb 0.28 -2.27 0.35 0.00 0.27 0.00 0.00 31.44 30.07 3nnk n GLU 229 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3nnk h GLY 230 N 0.00 0.42 -1.60 8.31 0.00 -2.02 -2.82 103.07 105.37 3nnk h GLY 230 Ca 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3nnk h GLY 230 CO -0.92 0.23 0.00 0.29 0.00 0.00 0.00 176.54 176.14 3nnk n ILE 231 N -4.29 2.27 -3.36 2.60 -5.35 -0.58 -5.00 119.36 105.65 3nnk n ILE 231 Ca 0.00 -1.87 -0.38 0.00 -0.27 0.00 0.00 62.75 60.23 3nnk n ILE 231 Cb 0.24 -0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 37.84 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 -2.81 4.19 0.51 6.28 3.52 -0.82 -4.90 118.95 124.92 3nnk s ARG 232 Ca 0.42 0.49 0.03 0.00 -0.13 0.00 0.00 55.73 56.54 3nnk s ARG 232 Cb 0.34 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 30.39 3nnk s ARG 232 CO 0.09 0.40 0.13 0.95 -0.81 0.00 0.00 175.30 176.06 3nnk s THR 233 N -0.18 1.42 0.10 4.11 -4.23 -1.26 -5.01 115.64 110.60 3nnk s THR 233 Ca 0.26 -1.83 0.27 0.00 -1.18 0.00 0.00 61.69 59.20 3nnk s THR 233 Cb -0.16 -2.25 0.29 0.00 1.34 0.00 0.00 72.50 71.71 3nnk s THR 233 CO 0.13 0.00 1.87 0.44 -0.54 0.00 0.00 174.62 176.52 3nnk h ASP 234 N 1.20 0.00 1.51 3.99 3.32 -2.02 -2.72 116.42 121.70 3nnk h ASP 234 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3nnk h ASP 234 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3nnk h ASP 234 CO 0.69 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 178.36 3nnk h ALA 235 N 1.86 1.00 -2.74 3.45 0.00 -2.03 -3.45 119.26 117.35 3nnk h ALA 235 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3nnk h ALA 235 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3nnk h ALA 235 CO 0.02 0.00 0.35 -1.01 0.00 0.00 0.00 179.25 178.61 3nnk s HIS 236 N -3.25 3.97 0.04 0.00 3.76 -1.03 -5.07 115.29 113.71 3nnk s HIS 236 Ca 0.07 1.91 -0.00 0.00 -0.15 0.00 0.00 55.06 56.89 3nnk s HIS 236 Cb 0.09 -2.99 -0.03 0.00 1.11 0.00 0.00 32.58 30.76 3nnk s HIS 236 CO 0.59 0.43 -0.03 -0.98 -0.85 0.00 0.00 174.74 173.90 3nnk s ARG 237 N -1.10 0.47 0.63 1.40 1.70 -1.26 -4.90 118.95 115.89 3nnk s ARG 237 Ca 0.41 -0.90 -0.15 0.00 -0.47 0.00 0.00 55.73 54.62 3nnk s ARG 237 Cb -0.26 0.11 -0.02 0.00 -0.57 0.00 0.00 34.95 34.22 3nnk s ARG 237 CO 0.32 -0.07 1.08 -0.51 -1.08 0.00 0.00 175.30 175.05 3nnk s ASP 238 N -2.14 5.45 1.13 -2.89 1.01 -1.26 -4.70 116.67 113.25 3nnk s ASP 238 Ca -0.05 1.91 -0.13 0.00 0.71 0.00 0.00 52.55 54.99 3nnk s ASP 238 Cb -0.02 -2.54 0.19 0.00 1.01 0.00 0.00 42.92 41.56 3nnk s ASP 238 CO -0.05 -1.40 0.77 0.61 0.21 0.00 0.00 175.17 175.31 3nnk n GLY 239 N -0.74 -2.36 0.51 0.21 0.00 0.87 -4.92 105.19 98.75 3nnk n GLY 239 Ca 0.10 -1.53 0.10 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.08 1.52 -4.42 1.61 5.75 -0.74 -4.84 116.55 111.34 3nnk n ASP 240 Ca 0.10 -1.71 -0.21 0.00 -0.01 0.00 0.00 54.79 52.97 3nnk n ASP 240 Cb 0.39 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.79 1.56 0.45 0.11 2.02 0.24 -5.04 118.70 116.26 3nnk s GLU 241 Ca 0.31 -1.83 -0.25 0.00 0.02 0.00 0.00 54.97 53.22 3nnk s GLU 241 Cb 0.16 -0.94 -0.08 0.00 0.10 0.00 0.00 34.13 33.37 3nnk s GLU 241 CO 0.25 -0.09 1.42 -1.83 0.02 0.00 0.00 175.26 175.03 3nnk s GLU 242 N -3.82 3.67 0.69 1.61 -1.05 -1.26 -4.53 118.70 114.01 3nnk s GLU 242 Ca 0.32 2.40 -0.17 0.00 -0.15 0.00 0.00 54.97 57.38 3nnk s GLU 242 Cb 0.06 -2.64 -0.01 0.00 -0.44 0.00 0.00 34.13 31.10 3nnk s GLU 242 CO 0.13 -0.82 0.95 0.00 0.95 0.00 0.00 175.26 176.47 3nnk n MET 243 N -0.22 0.60 -2.28 -4.83 0.00 -1.26 -4.66 117.12 104.48 3nnk n MET 243 Ca 0.05 0.26 -0.42 0.00 0.00 0.00 0.00 57.70 57.59 3nnk n MET 243 Cb 0.42 -2.20 -0.03 0.00 0.00 0.00 0.00 33.22 31.41 3nnk n MET 243 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3nnk s ILE 244 N -1.73 3.78 -1.51 3.17 1.01 -1.26 -4.91 121.20 119.74 3nnk s ILE 244 Ca 0.74 1.20 -0.11 0.00 0.00 0.00 0.00 60.65 62.47 3nnk s ILE 244 Cb -0.36 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3nnk s ILE 244 CO 0.49 0.03 2.64 -1.22 0.00 0.00 0.00 174.94 176.88 3nnk n TYR 245 N 4.89 2.74 0.00 3.97 4.01 -1.26 -4.64 117.16 126.87 3nnk n TYR 245 Ca 0.12 -2.96 0.00 0.00 -0.16 0.00 0.00 57.90 54.90 3nnk n TYR 245 Cb 0.44 -2.46 0.00 0.00 -0.31 0.00 0.00 39.34 37.02 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk n SER 246 N 4.59 0.00 0.03 7.72 2.88 -1.26 -5.04 113.62 122.54 3nnk n SER 246 Ca 0.67 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 58.01 3nnk n SER 246 Cb 0.29 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.60 3nnk n SER 246 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3nnk h ASN 247 N 0.00 0.43 -0.24 -3.46 -1.24 -1.97 -3.25 115.58 105.85 3nnk h ASN 247 Ca 0.00 -0.92 -0.19 0.00 0.71 0.00 0.00 56.30 55.91 3nnk h ASN 247 Cb 0.00 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 38.91 3nnk h ASN 247 CO 0.00 1.46 -0.58 0.22 -1.29 0.00 0.00 177.43 177.24 3nnk h TYR 248 N -0.37 1.05 -0.51 0.67 3.20 -1.97 -3.22 116.97 115.82 3nnk h TYR 248 Ca -0.19 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 61.28 3nnk h TYR 248 Cb 1.67 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.75 3nnk h TYR 248 CO 0.17 1.22 0.00 1.19 -1.64 0.00 0.00 178.16 179.11 3nnk n PHE 249 N -4.03 0.85 -2.16 -3.82 3.72 -1.26 -4.82 117.46 105.93 3nnk n PHE 249 Ca -0.05 -0.38 -0.41 0.00 -0.05 0.00 0.00 57.45 56.55 3nnk n PHE 249 Cb 0.64 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 39.09 3nnk n PHE 249 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3nnk s ASP 250 N -0.92 5.76 0.19 4.37 -1.08 -1.22 -4.45 116.67 119.32 3nnk s ASP 250 Ca 0.36 0.58 0.25 0.00 -0.52 0.00 0.00 52.55 53.21 3nnk s ASP 250 Cb 0.20 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 40.04 3nnk s ASP 250 CO 0.22 -1.95 1.74 0.18 0.52 0.00 0.00 175.17 175.89 3nnk n LEU 251 N 10.90 0.60 -0.05 -1.34 4.77 -1.26 -2.95 117.00 127.66 3nnk n LEU 251 Ca 0.18 0.59 -0.12 0.00 -0.03 0.00 0.00 56.01 56.63 3nnk n LEU 251 Cb 0.50 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 3nnk n LEU 251 CO 0.70 -0.31 0.71 1.23 -1.33 0.00 0.00 177.39 178.40 3nnk h GLY 252 N 3.58 0.28 1.36 -0.72 0.00 -1.89 -1.13 103.07 104.55 3nnk h GLY 252 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 3nnk h GLY 252 CO 0.00 0.21 -0.37 -0.33 0.00 0.00 0.00 176.54 176.05 3nnk h MET 253 N -0.04 0.71 -0.43 4.80 2.86 -1.90 -0.59 114.93 120.35 3nnk h MET 253 Ca 0.04 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 3nnk h MET 253 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 3nnk h MET 253 CO 0.01 0.97 0.24 0.28 1.06 0.00 0.00 176.91 179.47 3nnk h VAL 254 N 0.59 1.15 -0.95 -2.22 2.07 -1.57 0.13 116.25 115.46 3nnk h VAL 254 Ca 0.06 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.26 3nnk h VAL 254 Cb 0.90 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3nnk h VAL 254 CO 0.08 0.16 0.62 0.24 0.02 0.00 0.00 177.57 178.69 3nnk h MET 255 N 0.56 1.06 -0.02 1.57 2.86 -0.98 -1.45 114.93 118.53 3nnk h MET 255 Ca 0.15 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 3nnk h MET 255 Cb 0.04 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3nnk h MET 255 CO -0.03 0.70 -0.49 -0.44 1.06 0.00 0.00 176.91 177.71 3nnk h ASP 256 N 1.09 0.06 -0.20 1.22 3.32 -0.37 -1.56 116.42 119.97 3nnk h ASP 256 Ca 0.41 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.33 3nnk h ASP 256 Cb 0.19 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3nnk h ASP 256 CO -0.16 0.54 -0.28 0.22 -1.72 0.00 0.00 179.24 177.84 3nnk h TYR 257 N 0.04 0.67 0.00 4.55 3.20 -0.09 -2.80 116.97 122.54 3nnk h TYR 257 Ca -0.00 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.65 3nnk h TYR 257 Cb 0.89 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.03 3nnk h TYR 257 CO 0.00 0.93 0.00 0.91 -1.64 0.00 0.00 178.16 178.36 3nnk n TRP 258 N -4.36 0.34 -2.57 -3.82 7.02 -0.61 -4.17 117.44 109.27 3nnk n TRP 258 Ca -0.05 0.10 -0.23 0.00 -1.02 0.00 0.00 57.50 56.30 3nnk n TRP 258 Cb 0.46 -0.67 0.10 0.00 -2.42 0.00 0.00 31.31 28.78 3nnk n TRP 258 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3nnk s GLY 259 N -3.21 1.77 0.55 6.99 0.00 -0.59 -4.97 107.32 107.86 3nnk s GLY 259 Ca 0.12 -1.64 0.26 0.00 0.00 0.00 0.00 44.72 43.46 3nnk s GLY 259 CO 0.52 -1.11 2.00 -0.56 0.00 0.00 0.00 173.10 173.95 3nnk h PRO 260 N -0.46 0.00 0.00 2.90 0.13 -1.89 -1.26 132.00 131.42 3nnk h PRO 260 Ca -0.37 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.68 3nnk h PRO 260 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3nnk h PRO 260 CO 0.43 0.00 -0.36 0.93 -0.23 0.00 0.00 178.00 178.77 3nnk h GLU 261 N 0.00 0.00 -3.62 0.86 3.07 -1.92 -3.47 114.58 109.50 3nnk h GLU 261 Ca 0.21 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.70 3nnk h GLU 261 Cb 0.91 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 3nnk h GLU 261 CO -0.00 0.36 -0.49 0.54 -1.40 0.00 0.00 179.01 178.01 3nnk n ARG 262 N -3.86 -2.50 -1.69 2.33 5.12 -0.48 -4.88 116.66 110.70 3nnk n ARG 262 Ca -0.01 0.86 -0.53 0.00 -1.93 0.00 0.00 57.85 56.23 3nnk n ARG 262 Cb 0.42 -5.55 -0.06 0.00 -1.16 0.00 0.00 32.46 26.12 3nnk n ARG 262 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3nnk n LEU 263 N -3.19 2.79 -4.06 0.55 -0.00 -1.10 -4.80 117.00 107.19 3nnk n LEU 263 Ca -0.18 1.04 -0.37 0.00 -0.00 0.00 0.00 56.01 56.49 3nnk n LEU 263 Cb 0.65 -1.25 -0.05 0.00 -0.00 0.00 0.00 43.42 42.77 3nnk n LEU 263 CO 0.30 -0.32 1.89 -3.20 -0.00 0.00 0.00 177.39 176.07 3nnk n ASN 264 N 5.59 2.95 -0.02 1.96 2.85 -1.26 -3.87 115.26 123.47 3nnk n ASN 264 Ca 0.24 -2.71 -0.16 0.00 -0.11 0.00 0.00 54.58 51.84 3nnk n ASN 264 Cb 0.21 -1.42 -0.12 0.00 1.24 0.00 0.00 39.78 39.69 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 8.49 0.34 -3.25 1.20 -0.00 -1.87 -3.48 115.15 116.59 3nnk h HIS 265 Ca 0.35 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3nnk h HIS 265 Cb 0.79 -0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 28.10 3nnk h HIS 265 CO 1.25 1.02 0.11 -3.38 -0.00 0.00 0.00 177.93 176.93 3nnk s HIS 266 N -3.04 0.08 -0.63 5.26 -3.43 -1.26 -5.06 115.29 107.21 3nnk s HIS 266 Ca -0.15 -0.54 -0.23 0.00 -0.80 0.00 0.00 55.06 53.34 3nnk s HIS 266 Cb 0.01 0.54 0.06 0.00 -1.43 0.00 0.00 32.58 31.76 3nnk s HIS 266 CO 0.76 -1.21 0.95 0.99 -2.00 0.00 0.00 174.74 174.23 3nnk s THR 267 N -3.66 4.35 0.21 -5.38 2.01 -1.26 -5.02 115.64 106.90 3nnk s THR 267 Ca 0.16 -0.22 -0.32 0.00 0.31 0.00 0.00 61.69 61.63 3nnk s THR 267 Cb -0.04 -4.64 -0.15 0.00 0.01 0.00 0.00 72.50 67.68 3nnk s THR 267 CO 0.09 -1.36 1.18 1.21 -0.69 0.00 0.00 174.62 175.05 3nnk n GLU 268 N 7.61 1.37 -1.95 4.92 4.07 -1.26 -4.84 120.64 130.56 3nnk n GLU 268 Ca -0.03 0.49 -0.40 0.00 -0.06 0.00 0.00 57.16 57.16 3nnk n GLU 268 Cb 0.46 -1.99 -0.03 0.00 -0.06 0.00 0.00 31.44 29.82 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 -0.34 2.36 0.04 4.31 0.00 -1.26 -4.88 121.76 121.99 3nnk s ALA 269 Ca 0.69 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 3nnk s ALA 269 Cb -0.78 -4.20 -0.17 0.00 0.00 0.00 0.00 23.12 17.97 3nnk s ALA 269 CO 0.53 -3.50 1.47 1.15 0.00 0.00 0.00 175.76 175.42 3nnk h THR 270 N 6.98 0.71 0.10 0.00 2.02 -1.98 -0.89 112.91 119.85 3nnk h THR 270 Ca -0.29 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 66.59 3nnk h THR 270 Cb 1.18 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 3nnk h THR 270 CO 1.14 0.07 -0.20 0.74 0.37 0.00 0.00 175.52 177.63 3nnk h THR 271 N -0.59 0.54 0.00 3.16 2.02 -1.90 -1.47 112.91 114.67 3nnk h THR 271 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3nnk h THR 271 Cb 0.43 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3nnk h THR 271 CO 0.07 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.90 3nnk h ALA 272 N 0.44 1.78 -0.04 6.16 0.00 -1.94 -1.24 119.26 124.42 3nnk h ALA 272 Ca 0.03 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3nnk h ALA 272 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3nnk h ALA 272 CO -0.12 0.08 -0.72 1.25 0.00 0.00 0.00 179.25 179.74 3nnk h LEU 273 N 0.00 0.26 -0.37 0.00 6.46 -0.69 -0.55 115.31 120.42 3nnk h LEU 273 Ca -0.00 -0.18 -0.10 0.00 -0.12 0.00 0.00 57.88 57.48 3nnk h LEU 273 Cb 0.12 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 3nnk h LEU 273 CO 0.01 0.89 -0.17 -0.26 -0.62 0.00 0.00 178.44 178.29 3nnk h PHE 274 N 0.15 0.89 0.18 1.25 0.04 -0.21 -0.90 116.94 118.35 3nnk h PHE 274 Ca -0.02 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.52 3nnk h PHE 274 Cb 1.27 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.22 3nnk h PHE 274 CO 0.02 0.96 -0.09 0.78 -0.60 0.00 0.00 178.31 179.39 3nnk h GLY 275 N 0.57 -0.25 1.65 -1.45 0.00 -1.26 -2.20 103.07 100.13 3nnk h GLY 275 Ca 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 3nnk h GLY 275 CO 0.05 -0.09 0.08 0.00 0.00 0.00 0.00 176.54 176.58 3nnk h ALA 276 N 0.42 1.56 -0.47 3.60 0.00 -1.14 -1.56 119.26 121.67 3nnk h ALA 276 Ca -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3nnk h ALA 276 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3nnk h ALA 276 CO 0.04 0.34 0.20 -0.09 0.00 0.00 0.00 179.25 179.73 3nnk h ARG 277 N 0.45 0.69 0.16 0.00 2.43 -1.08 -3.10 114.38 113.94 3nnk h ARG 277 Ca 0.11 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3nnk h ARG 277 Cb 0.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3nnk h ARG 277 CO -0.00 0.62 -0.08 0.93 -1.51 0.00 0.00 179.97 179.92 3nnk h GLU 278 N 0.61 -0.21 -0.67 0.20 4.39 -0.73 -1.98 114.58 116.19 3nnk h GLU 278 Ca 0.16 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.98 3nnk h GLU 278 Cb 0.17 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 28.75 3nnk h GLU 278 CO -0.01 0.05 -0.38 0.00 -1.16 0.00 0.00 179.01 177.50 3nnk h ALA 280 N 0.93 0.97 -0.21 0.00 0.00 -1.58 -1.65 119.26 117.72 3nnk h ALA 280 Ca 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3nnk h ALA 280 Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3nnk h ALA 280 CO -0.75 0.64 0.09 -0.09 0.00 0.00 0.00 179.25 179.14 3nnk h ARG 281 N 0.94 0.31 -0.47 0.00 2.43 -0.22 -2.16 114.38 115.21 3nnk h ARG 281 Ca 0.18 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3nnk h ARG 281 Cb 0.46 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3nnk h ARG 281 CO 0.02 0.36 0.11 -0.07 -1.51 0.00 0.00 179.97 178.88 3nnk h LEU 282 N 0.19 0.71 -1.16 3.80 3.38 -0.31 -2.09 115.31 119.83 3nnk h LEU 282 Ca 0.07 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3nnk h LEU 282 Cb 0.16 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3nnk h LEU 282 CO -0.01 0.76 0.59 0.40 0.09 0.00 0.00 178.44 180.27 3nnk h ILE 283 N 0.63 1.04 0.00 1.22 2.04 -1.20 -2.17 117.51 119.06 3nnk h ILE 283 Ca 0.15 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3nnk h ILE 283 Cb 0.33 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3nnk h ILE 283 CO 0.00 0.18 -0.34 0.18 0.00 0.00 0.00 178.15 178.17 3nnk n LEU 284 N -4.50 0.44 -0.01 1.44 4.77 -0.82 -0.96 117.00 117.36 3nnk n LEU 284 Ca 0.14 0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 3nnk n LEU 284 Cb 0.23 -0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 3nnk n LEU 284 CO 0.32 0.02 0.29 1.56 -1.33 0.00 0.00 177.39 178.25 3nnk h GLN 285 N 0.00 0.28 -0.27 3.23 4.20 -0.75 -3.28 115.11 118.52 3nnk h GLN 285 Ca 0.00 -0.32 -0.14 0.00 0.06 0.00 0.00 58.65 58.24 3nnk h GLN 285 Cb 0.58 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3nnk h GLN 285 CO 0.00 1.04 -0.42 1.49 -0.67 0.00 0.00 178.83 180.27 3nnk h GLU 286 N -0.34 0.65 0.00 1.46 4.81 -1.54 -3.50 114.58 116.12 3nnk h GLU 286 Ca -0.06 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3nnk h GLU 286 Cb 1.22 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3nnk h GLU 286 CO 0.09 0.95 0.00 0.41 -0.73 0.00 0.00 179.01 179.73 3nnk n GLY 287 N 0.06 1.72 0.21 1.92 0.00 -0.14 -4.62 105.19 104.34 3nnk n GLY 287 Ca -0.02 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.62 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 0.30 -1.40 0.99 5.85 -1.86 0.11 115.31 119.30 3nnk h LEU 288 Ca 0.00 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.89 3nnk h LEU 288 Cb 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3nnk h LEU 288 CO 0.00 0.20 0.53 0.44 -0.34 0.00 0.00 178.44 179.27 3nnk h ASP 289 N 0.45 0.58 0.89 1.25 3.45 -1.92 0.12 116.42 121.23 3nnk h ASP 289 Ca 0.25 0.03 -0.22 0.00 0.43 0.00 0.00 57.03 57.51 3nnk h ASP 289 Cb 0.23 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 3nnk h ASP 289 CO -0.22 0.32 -1.17 1.88 -1.57 0.00 0.00 179.24 178.48 3nnk h TYR 290 N 0.62 0.00 -0.27 4.55 0.05 -1.58 -2.80 116.97 117.54 3nnk h TYR 290 Ca 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.17 3nnk h TYR 290 Cb 0.65 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 3nnk h TYR 290 CO -0.00 0.95 0.15 0.78 -1.05 0.00 0.00 178.16 179.00 3nnk h GLY 291 N 3.19 0.40 0.93 3.88 0.00 0.20 -1.09 103.07 110.59 3nnk h GLY 291 Ca -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3nnk h GLY 291 CO 0.11 0.17 0.12 -2.22 0.00 0.00 0.00 176.54 174.72 3nnk h ILE 292 N 0.33 1.22 -0.19 2.60 2.04 -1.10 -2.75 117.51 119.67 3nnk h ILE 292 Ca 0.10 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 3nnk h ILE 292 Cb 0.05 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3nnk h ILE 292 CO -0.02 0.25 -0.05 0.00 0.00 0.00 0.00 178.15 178.34 3nnk h ALA 293 N 0.96 1.58 -0.16 1.87 0.00 -1.39 -1.81 119.26 120.32 3nnk h ALA 293 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3nnk h ALA 293 Cb 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3nnk h ALA 293 CO -0.00 0.31 -0.08 -0.09 0.00 0.00 0.00 179.25 179.39 3nnk h ARG 294 N 0.27 0.34 -0.84 0.00 2.43 -1.09 -1.85 114.38 113.63 3nnk h ARG 294 Ca 0.06 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3nnk h ARG 294 Cb 0.27 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 3nnk h ARG 294 CO 0.01 0.65 0.54 0.45 -1.51 0.00 0.00 179.97 180.11 3nnk h HIS 295 N 0.02 1.01 -0.21 2.20 3.86 -1.19 -1.99 115.15 118.86 3nnk h HIS 295 Ca 0.04 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3nnk h HIS 295 Cb 0.55 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3nnk h HIS 295 CO 0.06 0.58 0.12 -0.22 0.86 0.00 0.00 177.93 179.33 3nnk h LYS 296 N 1.05 0.29 0.42 2.45 3.64 -1.31 0.61 116.57 123.72 3nnk h LYS 296 Ca 0.34 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3nnk h LYS 296 Cb 0.01 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3nnk h LYS 296 CO -0.12 0.27 -0.25 1.25 -2.27 0.00 0.00 179.45 178.33 3nnk h LEU 297 N 0.24 -0.63 -0.58 5.20 5.85 -1.02 -0.42 115.31 123.95 3nnk h LEU 297 Ca 0.07 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 3nnk h LEU 297 Cb 0.06 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3nnk h LEU 297 CO -0.01 -0.40 -0.54 0.45 -0.34 0.00 0.00 178.44 177.60 3nnk h HIS 298 N -0.64 0.00 -0.26 1.25 3.86 -1.41 -2.19 115.15 115.75 3nnk h HIS 298 Ca -0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 3nnk h HIS 298 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 3nnk h HIS 298 CO -0.09 0.54 -0.03 0.78 0.86 0.00 0.00 177.93 179.99 3nnk h GLY 299 N 2.44 0.53 1.52 2.45 0.00 -0.77 -2.55 103.07 106.69 3nnk h GLY 299 Ca -0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3nnk h GLY 299 CO 0.07 0.38 -0.18 -0.55 0.00 0.00 0.00 176.54 176.25 3nnk h ASP 300 N 0.25 0.56 -0.01 0.19 3.32 -1.04 -2.82 116.42 116.87 3nnk h ASP 300 Ca 0.07 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3nnk h ASP 300 Cb 0.48 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3nnk h ASP 300 CO 0.02 0.75 -0.11 0.00 -1.72 0.00 0.00 179.24 178.19 3nnk h ALA 301 N 1.30 1.51 -0.12 3.45 0.00 -1.34 -1.76 119.26 122.30 3nnk h ALA 301 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 301 Cb 0.60 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3nnk h ALA 301 CO 0.04 0.35 -0.08 1.25 0.00 0.00 0.00 179.25 180.81 3nnk h LEU 302 N 0.25 0.27 -0.83 0.00 5.85 -1.21 -2.69 115.31 116.96 3nnk h LEU 302 Ca 0.05 -0.44 -0.09 0.00 0.84 0.00 0.00 57.88 58.24 3nnk h LEU 302 Cb 0.35 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3nnk h LEU 302 CO 0.02 0.65 -0.13 1.62 -0.34 0.00 0.00 178.44 180.27 3nnk h VAL 303 N -0.11 1.26 -0.69 1.05 3.04 -1.34 -0.67 116.25 118.78 3nnk h VAL 303 Ca 0.02 -1.18 -0.04 0.00 -1.01 0.00 0.00 66.70 64.50 3nnk h VAL 303 Cb 0.56 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.89 3nnk h VAL 303 CO 0.02 0.40 0.27 0.11 -1.01 0.00 0.00 177.57 177.36 3nnk h LYS 304 N 0.67 1.04 -0.39 4.17 1.57 -1.38 0.30 116.57 122.56 3nnk h LYS 304 Ca 0.11 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 3nnk h LYS 304 Cb 0.60 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3nnk h LYS 304 CO 0.04 0.87 -0.32 0.78 -0.57 0.00 0.00 179.45 180.24 3nnk h GLY 305 N 0.99 0.96 0.99 3.86 0.00 -1.30 -2.11 103.07 106.46 3nnk h GLY 305 Ca 0.23 -0.93 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 3nnk h GLY 305 CO -0.02 0.84 0.16 -2.22 0.00 0.00 0.00 176.54 175.30 3nnk h ILE 306 N 0.74 1.24 -0.37 2.60 1.08 -0.91 -1.50 117.51 120.39 3nnk h ILE 306 Ca 0.08 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.68 3nnk h ILE 306 Cb 0.89 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 3nnk h ILE 306 CO 0.08 0.30 0.02 1.56 -0.69 0.00 0.00 178.15 179.42 3nnk h GLN 307 N 0.76 0.64 -0.03 2.37 4.20 -0.92 -2.43 115.11 119.71 3nnk h GLN 307 Ca 0.18 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3nnk h GLN 307 Cb 0.29 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3nnk h GLN 307 CO -0.00 0.74 -0.02 0.00 -0.67 0.00 0.00 178.83 178.87 3nnk h ALA 308 N 0.88 1.90 0.00 3.87 0.00 -1.32 -1.52 119.26 123.07 3nnk h ALA 308 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3nnk h ALA 308 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3nnk h ALA 308 CO 0.02 0.08 0.00 -0.12 0.00 0.00 0.00 179.25 179.22 3nnk n MET 309 N -4.48 0.15 -0.22 0.00 0.00 -0.57 -4.36 117.12 107.63 3nnk n MET 309 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 57.70 58.03 3nnk n MET 309 Cb 0.12 -1.77 0.00 0.00 0.00 0.00 0.00 33.22 31.57 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 0.15 0.87 3.93 -5.12 0.00 -0.57 -4.75 105.19 99.70 3nnk n GLY 310 Ca 0.03 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 4.32 0.36 0.99 1.43 -1.11 -5.06 118.68 119.62 3nnk s LEU 311 Ca 0.00 0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3nnk s LEU 311 Cb 0.00 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 3nnk s LEU 311 CO 0.00 0.07 0.64 -1.83 0.23 0.00 0.00 176.35 175.46 3nnk s GLU 312 N -3.01 3.60 0.24 1.70 4.04 -1.26 -4.52 118.70 119.49 3nnk s GLU 312 Ca 0.36 0.04 0.12 0.00 0.04 0.00 0.00 54.97 55.52 3nnk s GLU 312 Cb -0.12 -2.55 -0.05 0.00 0.02 0.00 0.00 34.13 31.43 3nnk s GLU 312 CO 0.28 0.07 -0.22 0.95 -1.84 0.00 0.00 175.26 174.50 3nnk s THR 313 N -2.33 2.43 -0.08 1.83 -4.23 -1.26 -0.86 115.64 111.14 3nnk s THR 313 Ca 0.45 -2.25 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 3nnk s THR 313 Cb -0.10 -2.23 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 3nnk s THR 313 CO 0.35 -0.28 0.25 0.12 -0.54 0.00 0.00 174.62 174.52 3nnk s PHE 314 N -2.17 3.63 0.07 3.99 5.36 -0.71 -4.82 117.98 123.33 3nnk s PHE 314 Ca 0.26 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 3nnk s PHE 314 Cb -0.06 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.51 3nnk s PHE 314 CO 0.13 0.64 0.00 0.41 -1.46 0.00 0.00 175.22 174.94 3nnk n GLY 315 N 2.10 -2.10 3.63 13.12 0.00 -1.26 -4.70 105.19 115.99 3nnk n GLY 315 Ca -0.17 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.46 6.63 0.49 1.61 2.15 -0.93 -4.90 116.67 118.25 3nnk s ASP 316 Ca 0.00 1.40 0.28 0.00 0.43 0.00 0.00 52.55 54.66 3nnk s ASP 316 Cb 0.00 -2.54 0.99 0.00 -0.30 0.00 0.00 42.92 41.07 3nnk s ASP 316 CO 0.00 -1.08 1.84 -0.07 -0.17 0.00 0.00 175.17 175.69 3nnk h LEU 317 N 10.94 0.00 -1.72 -1.34 3.38 -1.92 -3.00 115.31 121.65 3nnk h LEU 317 Ca -0.28 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3nnk h LEU 317 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3nnk h LEU 317 CO 1.01 0.09 0.21 0.11 0.09 0.00 0.00 178.44 179.95 3nnk h LYS 318 N 0.00 0.37 -0.03 1.13 1.57 -2.00 -3.03 116.57 114.57 3nnk h LYS 318 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3nnk h LYS 318 Cb 0.71 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3nnk h LYS 318 CO 0.01 0.24 0.00 0.72 -0.57 0.00 0.00 179.45 179.85 3nnk n HIS 319 N -4.49 0.08 -1.88 -1.35 8.25 -1.15 -5.06 115.22 109.63 3nnk n HIS 319 Ca 0.02 -0.76 -0.40 0.00 -0.26 0.00 0.00 57.72 56.32 3nnk n HIS 319 Cb 0.11 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.01 3.86 0.43 -0.41 2.20 -1.14 -0.43 119.74 122.24 3nnk s LYS 320 Ca 0.19 2.37 -0.26 0.00 -0.36 0.00 0.00 55.97 57.91 3nnk s LYS 320 Cb 0.16 -2.75 -0.08 0.00 -1.51 0.00 0.00 37.83 33.65 3nnk s LYS 320 CO 0.03 -0.66 1.36 -1.64 -0.36 0.00 0.00 175.35 174.08 3nnk s MET 321 N -2.31 3.81 0.46 4.03 -1.94 0.31 -4.72 119.30 118.94 3nnk s MET 321 Ca 0.58 2.28 0.15 0.00 -1.71 0.00 0.00 55.69 56.99 3nnk s MET 321 Cb -0.43 -2.69 1.05 0.00 2.01 0.00 0.00 34.83 34.77 3nnk s MET 321 CO 0.55 -0.66 2.02 -0.91 -0.01 0.00 0.00 175.02 176.01 3nnk h ASN 322 N 2.48 0.00 0.13 3.03 2.35 -1.90 -3.29 115.58 118.38 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 1.26 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3nnk h ASN 322 CO 0.62 0.15 -0.72 -0.46 -1.65 0.00 0.00 177.43 175.37 3nnk n ASN 323 N -4.36 1.08 -4.05 5.81 6.94 -1.26 -4.24 115.26 115.18 3nnk n ASN 323 Ca -0.03 -0.92 -0.08 0.00 -0.02 0.00 0.00 54.58 53.54 3nnk n ASN 323 Cb 0.22 0.65 -0.10 0.00 -2.36 0.00 0.00 39.78 38.19 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 -2.86 0.21 -0.01 3.53 1.01 -1.24 -0.15 120.40 120.89 3nnk s VAL 324 Ca 0.12 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 60.68 3nnk s VAL 324 Cb 0.17 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.58 3nnk s VAL 324 CO 0.74 -0.77 -0.01 -0.22 0.00 0.00 0.00 175.10 174.85 3nnk s LEU 325 N -2.28 1.62 -0.24 3.92 0.20 -0.53 -4.50 118.68 116.87 3nnk s LEU 325 Ca -0.03 -0.03 -0.16 0.00 0.69 0.00 0.00 54.13 54.61 3nnk s LEU 325 Cb -0.00 -0.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.58 3nnk s LEU 325 CO -0.06 -0.03 0.40 -0.83 -0.29 0.00 0.00 176.35 175.54 3nnk s GLY 326 N 0.43 1.97 -0.19 7.98 0.00 -1.26 -1.27 107.32 114.98 3nnk s GLY 326 Ca -0.04 -0.65 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 3nnk s GLY 326 CO -0.01 0.93 -0.15 0.14 0.00 0.00 0.00 173.10 174.01 3nnk s VAL 327 N 1.73 2.46 -0.12 1.40 1.01 -0.01 -1.74 120.40 125.13 3nnk s VAL 327 Ca 0.18 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 3nnk s VAL 327 Cb -0.15 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3nnk s VAL 327 CO 0.09 0.50 1.49 -0.69 0.00 0.00 0.00 175.10 176.49 3nnk s VAL 328 N 1.35 3.88 -0.01 2.92 1.01 -0.04 -0.28 120.40 129.22 3nnk s VAL 328 Ca 0.05 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 3nnk s VAL 328 Cb -0.13 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 3nnk s VAL 328 CO -0.10 -0.13 1.81 -0.63 0.00 0.00 0.00 175.10 176.05 3nnk s ILE 329 N 3.99 3.32 0.92 2.22 1.01 0.38 -4.43 121.20 128.60 3nnk s ILE 329 Ca 0.66 0.38 -0.11 0.00 0.00 0.00 0.00 60.65 61.58 3nnk s ILE 329 Cb -0.27 -3.25 0.14 0.00 0.01 0.00 0.00 42.46 39.09 3nnk s ILE 329 CO 0.24 -0.04 1.11 -2.84 0.00 0.00 0.00 174.94 173.41 3nnk s PRO 330 N 4.27 1.06 0.00 2.79 0.02 -1.26 -4.91 135.00 136.97 3nnk s PRO 330 Ca 0.81 1.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.03 3nnk s PRO 330 Cb -0.38 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 3nnk s PRO 330 CO 0.35 -2.49 0.15 -0.65 -0.33 0.00 0.00 177.00 174.03 3nnk s GLN 331 N -4.74 3.31 -0.86 5.54 -1.52 -1.26 -1.89 119.66 118.24 3nnk s GLN 331 Ca 0.65 -0.39 -0.01 0.00 -1.95 0.00 0.00 55.36 53.65 3nnk s GLN 331 Cb -0.21 -3.01 0.35 0.00 -0.22 0.00 0.00 33.01 29.92 3nnk s GLN 331 CO 0.58 0.66 1.93 0.41 -0.25 0.00 0.00 175.29 178.62 3nnk n GLY 332 N 0.93 5.67 3.75 3.09 0.00 -1.26 -5.11 105.19 112.26 3nnk n GLY 332 Ca -0.11 -2.52 -0.41 0.00 0.00 0.00 0.00 46.02 42.98 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 -4.95 3.19 -0.25 -0.61 -1.09 -0.79 -5.00 121.20 111.70 3nnk s ILE 333 Ca 0.49 1.07 -0.26 0.00 -2.23 0.00 0.00 60.65 59.72 3nnk s ILE 333 Cb 0.39 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 3nnk s ILE 333 CO -0.35 0.20 0.92 0.21 -1.23 0.00 0.00 174.94 174.70 3nnk s ASN 334 N -0.12 6.93 0.11 3.58 3.84 -1.26 -4.80 114.94 123.22 3nnk s ASN 334 Ca 0.52 1.14 -0.14 0.00 0.21 0.00 0.00 52.86 54.58 3nnk s ASN 334 Cb -0.36 -2.48 -0.05 0.00 -0.55 0.00 0.00 41.25 37.81 3nnk s ASN 334 CO 0.42 -0.61 1.50 1.23 -2.79 0.00 0.00 177.10 176.85 3nnk h GLY 335 N 9.37 0.79 1.28 1.21 0.00 -1.93 -2.46 103.07 111.34 3nnk h GLY 335 Ca -0.21 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.38 3nnk h GLY 335 CO 0.93 0.63 0.25 1.29 0.00 0.00 0.00 176.54 179.64 3nnk h ASP 336 N 0.52 0.84 -0.41 0.19 -0.00 -1.96 -1.37 116.42 114.22 3nnk h ASP 336 Ca 0.08 -0.11 -0.13 0.00 -0.00 0.00 0.00 57.03 56.87 3nnk h ASP 336 Cb 0.68 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.78 3nnk h ASP 336 CO 0.05 0.75 -0.22 -0.61 -0.00 0.00 0.00 179.24 179.21 3nnk h GLN 337 N 0.90 0.91 -0.34 4.15 4.15 -1.96 0.82 115.11 123.74 3nnk h GLN 337 Ca 0.21 -0.38 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 3nnk h GLN 337 Cb 0.18 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3nnk h GLN 337 CO -0.02 1.04 0.06 0.00 -1.93 0.00 0.00 178.83 177.98 3nnk h ALA 338 N 0.96 0.45 -0.53 3.38 0.00 -1.16 -0.61 119.26 121.75 3nnk h ALA 338 Ca 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3nnk h ALA 338 Cb 0.77 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3nnk h ALA 338 CO 0.06 0.14 0.35 0.00 0.00 0.00 0.00 179.25 179.81 3nnk h ARG 339 N 0.40 0.69 -0.79 0.00 3.08 -1.14 0.71 114.38 117.33 3nnk h ARG 339 Ca 0.10 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3nnk h ARG 339 Cb 0.34 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3nnk h ARG 339 CO 0.01 0.46 0.52 -0.22 -1.07 0.00 0.00 179.97 179.66 3nnk h LYS 340 N 0.72 1.01 0.00 0.04 3.64 -0.69 -1.53 116.57 119.75 3nnk h LYS 340 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3nnk h LYS 340 Cb -0.08 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.51 3nnk h LYS 340 CO -0.04 0.67 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.68 3nnk h LEU 341 N 1.04 0.00 0.01 5.20 3.38 -0.79 -1.38 115.31 122.77 3nnk h LEU 341 Ca 0.30 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.08 3nnk h LEU 341 Cb -0.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.69 3nnk h LEU 341 CO -0.08 0.03 -0.74 0.24 0.09 0.00 0.00 178.44 177.98 3nnk h MET 342 N 0.00 0.49 0.42 1.13 2.86 -0.59 -3.03 114.93 116.22 3nnk h MET 342 Ca -0.00 -0.54 -0.02 0.00 -2.06 0.00 0.00 59.70 57.08 3nnk h MET 342 Cb 1.03 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3nnk h MET 342 CO 0.00 1.18 -0.20 1.25 1.06 0.00 0.00 176.91 180.20 3nnk h LEU 343 N 0.03 -0.48 -1.48 1.22 5.85 -0.85 -1.77 115.31 117.83 3nnk h LEU 343 Ca -0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3nnk h LEU 343 Cb 1.44 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 3nnk h LEU 343 CO 0.15 -0.05 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.73 3nnk h GLU 344 N -1.15 0.00 0.00 1.25 5.08 -1.43 -2.05 114.58 116.28 3nnk h GLU 344 Ca -0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3nnk h GLU 344 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3nnk h GLU 344 CO 0.10 0.14 -1.43 -0.25 -1.00 0.00 0.00 179.01 176.57 3nnk n ASP 345 N -3.37 3.16 -0.00 1.42 8.00 -1.14 -4.75 116.55 119.86 3nnk n ASP 345 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3nnk n ASP 345 Cb 0.34 1.08 -0.00 0.00 -0.02 0.00 0.00 41.12 42.52 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 -1.99 0.00 -2.33 1.24 3.72 -0.93 -5.01 117.46 112.17 3nnk n PHE 346 Ca -0.06 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.20 3nnk n PHE 346 Cb 0.43 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.99 -0.21 3.12 1.37 0.00 -0.77 -4.92 105.19 104.77 3nnk n GLY 347 Ca 0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.74 1.90 -0.25 -0.61 1.01 -0.71 0.03 121.20 119.83 3nnk s ILE 348 Ca 0.02 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 3nnk s ILE 348 Cb -0.01 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 3nnk s ILE 348 CO 0.03 0.52 0.24 -0.70 0.00 0.00 0.00 174.94 175.02 3nnk s GLU 349 N 1.03 4.04 0.08 2.79 2.12 -0.23 -2.29 118.70 126.26 3nnk s GLU 349 Ca -0.03 -0.17 0.07 0.00 0.36 0.00 0.00 54.97 55.20 3nnk s GLU 349 Cb -0.15 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 3nnk s GLU 349 CO -0.05 -0.07 -0.11 0.96 -0.54 0.00 0.00 175.26 175.45 3nnk s ILE 350 N 1.44 3.33 0.34 -3.70 -4.36 -1.26 -0.52 121.20 116.47 3nnk s ILE 350 Ca 0.10 -1.19 -0.19 0.00 -0.26 0.00 0.00 60.65 59.11 3nnk s ILE 350 Cb -0.15 -2.52 -0.10 0.00 1.25 0.00 0.00 42.46 40.94 3nnk s ILE 350 CO 0.08 0.18 0.82 -0.83 0.24 0.00 0.00 174.94 175.42 3nnk s GLY 351 N -2.00 2.45 0.22 6.27 0.00 -0.37 -4.84 107.32 109.05 3nnk s GLY 351 Ca 0.20 0.22 -0.00 0.00 0.00 0.00 0.00 44.72 45.13 3nnk s GLY 351 CO 0.12 0.50 0.40 -1.08 0.00 0.00 0.00 173.10 173.04 3nnk s THR 352 N -1.92 5.20 -0.14 0.90 -1.32 -1.26 -0.99 115.64 116.10 3nnk s THR 352 Ca 0.54 -0.41 -0.16 0.00 -1.21 0.00 0.00 61.69 60.45 3nnk s THR 352 Cb -0.12 -3.75 -0.04 0.00 -1.51 0.00 0.00 72.50 67.07 3nnk s THR 352 CO 0.17 -0.22 0.39 -0.44 -2.21 0.00 0.00 174.62 172.31 3nnk s SER 353 N -3.30 6.57 0.75 8.08 0.01 -1.16 -4.71 113.70 119.94 3nnk s SER 353 Ca 0.38 0.67 -0.12 0.00 1.31 0.00 0.00 55.95 58.19 3nnk s SER 353 Cb -0.11 -2.24 0.04 0.00 0.21 0.00 0.00 66.02 63.93 3nnk s SER 353 CO 0.30 0.04 1.13 -0.36 0.41 0.00 0.00 173.24 174.76 3nnk s PHE 354 N 0.57 3.16 0.00 2.43 0.08 -1.26 -2.83 117.98 120.13 3nnk s PHE 354 Ca 0.22 0.92 0.00 0.00 0.12 0.00 0.00 56.93 58.19 3nnk s PHE 354 Cb -0.14 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 3nnk s PHE 354 CO 0.07 -1.45 0.00 0.41 -0.10 0.00 0.00 175.22 174.16 3nnk n GLY 355 N -3.12 2.95 0.33 4.36 0.00 -1.26 -3.29 105.19 105.16 3nnk n GLY 355 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 13.49 0.89 0.00 1.61 -0.04 -1.26 -2.83 135.00 146.86 3nnk n PRO 356 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3nnk n PRO 356 Cb 0.00 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 3nnk n PRO 356 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3nnk n LEU 357 N -0.13 0.50 -4.73 1.53 4.77 -1.21 -5.03 117.00 112.71 3nnk n LEU 357 Ca 0.00 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.06 3nnk n LEU 357 Cb 0.15 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3nnk n LEU 357 CO 0.00 0.13 1.06 -2.28 -1.33 0.00 0.00 177.39 174.97 3nnk s HIS 358 N -0.25 3.20 0.00 -1.77 2.46 -1.13 -2.21 115.29 115.59 3nnk s HIS 358 Ca 0.00 1.01 0.00 0.00 0.47 0.00 0.00 55.06 56.54 3nnk s HIS 358 Cb 0.00 -3.70 0.00 0.00 -0.13 0.00 0.00 32.58 28.75 3nnk s HIS 358 CO 0.00 -2.37 0.00 0.41 -2.47 0.00 0.00 174.74 170.31 3nnk n GLY 359 N 3.03 0.41 0.05 1.59 0.00 -1.26 -4.81 105.19 104.20 3nnk n GLY 359 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.69 0.91 -3.80 1.61 4.76 -0.94 -4.77 118.16 114.24 3nnk n LYS 360 Ca 0.00 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 3nnk n LYS 360 Cb 0.13 -1.21 -0.14 0.00 -1.84 0.00 0.00 35.03 31.97 3nnk n LYS 360 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3nnk s VAL 361 N -2.21 -0.02 0.25 -0.18 1.01 -1.09 -0.47 120.40 117.69 3nnk s VAL 361 Ca -0.12 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3nnk s VAL 361 Cb 0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 3nnk s VAL 361 CO 0.27 0.03 0.50 0.26 0.00 0.00 0.00 175.10 176.17 3nnk s TRP 362 N 0.53 3.47 -0.30 5.22 0.51 0.62 -2.97 118.94 126.03 3nnk s TRP 362 Ca -0.04 0.58 0.02 0.00 -2.12 0.00 0.00 56.10 54.53 3nnk s TRP 362 Cb -0.06 -2.05 0.07 0.00 -0.81 0.00 0.00 33.47 30.63 3nnk s TRP 362 CO -0.02 0.25 -0.03 1.03 -0.51 0.00 0.00 176.95 177.67 3nnk s ARG 363 N -3.38 2.12 -0.32 4.98 0.52 -0.16 -0.83 118.95 121.89 3nnk s ARG 363 Ca 0.43 -1.47 -0.09 0.00 -0.52 0.00 0.00 55.73 54.08 3nnk s ARG 363 Cb -0.11 -3.08 0.01 0.00 0.52 0.00 0.00 34.95 32.29 3nnk s ARG 363 CO 0.29 -0.69 0.14 0.42 0.02 0.00 0.00 175.30 175.48 3nnk s ILE 364 N 1.10 4.40 -0.12 1.52 1.01 -0.40 -1.24 121.20 127.48 3nnk s ILE 364 Ca -0.03 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 3nnk s ILE 364 Cb -0.20 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3nnk s ILE 364 CO -0.04 -0.00 0.15 -0.83 0.00 0.00 0.00 174.94 174.21 3nnk s GLY 365 N 1.56 2.17 -0.70 6.18 0.00 0.99 -1.45 107.32 116.07 3nnk s GLY 365 Ca 0.03 -0.62 0.05 0.00 0.00 0.00 0.00 44.72 44.18 3nnk s GLY 365 CO 0.05 -0.33 0.56 -1.30 0.00 0.00 0.00 173.10 172.08 3nnk n THR 366 N 2.05 1.84 -4.38 0.90 -2.24 0.79 -4.46 114.28 108.78 3nnk n THR 366 Ca -0.19 -4.96 -0.30 0.00 -2.27 0.00 0.00 64.05 56.33 3nnk n THR 366 Cb 0.55 -2.18 -0.11 0.00 -2.10 0.00 0.00 70.33 66.49 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 -1.69 1.95 0.31 -0.78 -1.94 -1.26 -4.27 119.30 111.62 3nnk s MET 367 Ca 0.28 -1.08 0.00 0.00 -1.71 0.00 0.00 55.69 53.18 3nnk s MET 367 Cb -0.00 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.65 3nnk s MET 367 CO -0.14 0.50 0.00 0.41 -0.01 0.00 0.00 175.02 175.79 3nnk n GLY 368 N 0.99 1.65 0.18 -0.03 0.00 -1.26 0.22 105.19 106.95 3nnk n GLY 368 Ca -0.15 0.63 0.03 0.00 0.00 0.00 0.00 46.02 46.53 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 -1.83 -2.68 116.97 116.86 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 0.40 0.00 0.09 -1.64 0.00 0.00 178.16 177.01 3nnk n ASN 370 N -3.86 2.62 -3.57 -2.11 3.02 0.13 -4.49 115.26 107.01 3nnk n ASN 370 Ca -0.01 -1.93 -0.41 0.00 -0.03 0.00 0.00 54.58 52.20 3nnk n ASN 370 Cb 0.45 -0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.93 6.39 -2.40 5.41 0.00 -0.64 -4.21 120.51 126.00 3nnk n ALA 371 Ca 0.17 -3.80 -0.17 0.00 0.00 0.00 0.00 53.44 49.63 3nnk n ALA 371 Cb 0.44 -3.37 -0.11 0.00 0.00 0.00 0.00 19.45 16.42 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 2.22 1.13 0.21 0.00 0.52 -1.26 -4.79 118.95 116.98 3nnk s ARG 372 Ca 0.55 -1.39 -0.09 0.00 -0.52 0.00 0.00 55.73 54.29 3nnk s ARG 372 Cb 0.15 -0.93 0.24 0.00 0.52 0.00 0.00 34.95 34.94 3nnk s ARG 372 CO -0.07 0.16 1.81 -0.22 0.02 0.00 0.00 175.30 177.00 3nnk h LYS 373 N 3.10 0.68 0.00 3.54 3.64 -1.97 -2.66 116.57 122.89 3nnk h LYS 373 Ca -0.39 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 3nnk h LYS 373 Cb 1.20 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3nnk h LYS 373 CO 0.56 0.45 -0.07 0.38 -2.27 0.00 0.00 179.45 178.50 3nnk h ASP 374 N 0.70 0.00 0.02 4.20 2.03 -1.97 -2.47 116.42 118.94 3nnk h ASP 374 Ca 0.30 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.34 3nnk h ASP 374 Cb 0.18 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.70 3nnk h ASP 374 CO -0.18 0.07 -1.04 0.00 -1.03 0.00 0.00 179.24 177.07 3nnk h VAL 376 N 0.39 0.86 -0.59 0.00 2.07 -1.26 -2.62 116.25 115.09 3nnk h VAL 376 Ca -0.13 -0.46 0.12 0.00 0.82 0.00 0.00 66.70 67.05 3nnk h VAL 376 Cb 1.69 1.13 -0.09 0.00 -1.52 0.00 0.00 31.29 32.49 3nnk h VAL 376 CO 0.20 0.10 0.07 0.24 0.02 0.00 0.00 177.57 178.20 3nnk h MET 377 N -0.53 0.18 -0.27 1.57 2.07 -1.57 -1.99 114.93 114.40 3nnk h MET 377 Ca -0.03 -0.01 -0.15 0.00 -2.07 0.00 0.00 59.70 57.44 3nnk h MET 377 Cb 0.39 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.07 3nnk h MET 377 CO 0.05 0.12 -0.44 1.15 1.07 0.00 0.00 176.91 178.86 3nnk h THR 378 N 0.19 1.30 -0.43 2.22 2.02 -1.54 -2.51 112.91 114.15 3nnk h THR 378 Ca 0.31 -1.63 -0.10 0.00 0.77 0.00 0.00 66.41 65.77 3nnk h THR 378 Cb 0.48 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3nnk h THR 378 CO -0.45 0.52 -0.10 0.74 0.37 0.00 0.00 175.52 176.60 3nnk h THR 379 N 0.54 1.27 -0.06 3.16 2.02 -1.13 -2.24 112.91 116.47 3nnk h THR 379 Ca 0.04 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 3nnk h THR 379 Cb 0.98 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3nnk h THR 379 CO 0.09 0.41 0.02 -0.07 0.37 0.00 0.00 175.52 176.34 3nnk h LEU 380 N 0.66 0.09 -0.87 2.58 3.38 -1.33 -1.37 115.31 118.45 3nnk h LEU 380 Ca 0.11 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3nnk h LEU 380 Cb 0.64 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3nnk h LEU 380 CO 0.04 0.28 0.07 0.77 0.09 0.00 0.00 178.44 179.70 3nnk h SER 381 N -0.11 0.87 -0.53 -0.43 4.64 -1.50 -0.62 113.55 115.87 3nnk h SER 381 Ca 0.02 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.07 3nnk h SER 381 Cb 0.23 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3nnk h SER 381 CO -0.00 0.89 0.04 0.00 -0.87 0.00 0.00 176.83 176.89 3nnk h ALA 382 N 1.21 0.70 0.13 5.18 0.00 -1.37 -0.28 119.26 124.84 3nnk h ALA 382 Ca 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3nnk h ALA 382 Cb 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3nnk h ALA 382 CO 0.01 0.49 -0.06 1.25 0.00 0.00 0.00 179.25 180.93 3nnk h LEU 383 N 0.78 -0.15 -1.03 0.00 6.46 -0.96 0.83 115.31 121.24 3nnk h LEU 383 Ca 0.15 -0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 3nnk h LEU 383 Cb 0.47 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.38 3nnk h LEU 383 CO 0.02 0.06 0.64 -0.08 -0.62 0.00 0.00 178.44 178.46 3nnk h GLU 384 N -0.36 1.16 -0.46 1.25 4.81 -1.10 0.42 114.58 120.30 3nnk h GLU 384 Ca -0.02 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 3nnk h GLU 384 Cb 0.29 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3nnk h GLU 384 CO 0.03 0.76 -0.20 0.00 -0.73 0.00 0.00 179.01 178.88 3nnk h ALA 385 N 1.45 0.78 -0.19 2.92 0.00 -0.88 -1.50 119.26 121.84 3nnk h ALA 385 Ca 0.42 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3nnk h ALA 385 Cb 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3nnk h ALA 385 CO -0.15 0.66 -0.31 0.28 0.00 0.00 0.00 179.25 179.72 3nnk h VAL 386 N 0.80 1.34 0.08 0.00 2.07 -0.13 -2.81 116.25 117.59 3nnk h VAL 386 Ca 0.11 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 3nnk h VAL 386 Cb 0.75 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3nnk h VAL 386 CO 0.06 0.47 -0.04 -0.07 0.02 0.00 0.00 177.57 178.01 3nnk h LEU 387 N 0.21 -0.09 -1.43 2.57 3.38 -0.16 -1.97 115.31 117.82 3nnk h LEU 387 Ca 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3nnk h LEU 387 Cb 0.90 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3nnk h LEU 387 CO 0.07 0.03 0.11 0.78 0.09 0.00 0.00 178.44 179.53 3nnk h ASN 388 N -0.20 0.45 0.66 -0.43 2.35 -1.38 -1.79 115.58 115.23 3nnk h ASN 388 Ca -0.01 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3nnk h ASN 388 Cb 0.17 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3nnk h ASN 388 CO 0.02 0.43 -0.45 0.22 -1.65 0.00 0.00 177.43 176.01 3nnk h TYR 389 N 0.49 0.00 -0.14 1.19 5.03 -1.36 -1.72 116.97 120.46 3nnk h TYR 389 Ca 0.12 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.43 3nnk h TYR 389 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.43 3nnk h TYR 389 CO 0.01 0.45 0.00 1.28 -1.32 0.00 0.00 178.16 178.57 3nnk n LEU 390 N -3.73 0.84 -2.43 2.82 4.32 -0.72 -4.93 117.00 113.16 3nnk n LEU 390 Ca -0.01 -0.40 -0.09 0.00 -0.02 0.00 0.00 56.01 55.49 3nnk n LEU 390 Cb 0.51 -0.09 0.05 0.00 -1.62 0.00 0.00 43.42 42.27 3nnk n LEU 390 CO 0.39 0.20 0.05 2.29 -1.22 0.00 0.00 177.39 179.09 3nnk n LYS 391 N -0.10 -2.89 -4.19 3.23 0.00 -0.65 -5.04 118.16 108.51 3nnk n LYS 391 Ca 0.09 0.49 -0.33 0.00 -0.00 0.00 0.00 58.31 58.56 3nnk n LYS 391 Cb 0.15 -4.27 -0.16 0.00 -0.00 0.00 0.00 35.03 30.75 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 -3.21 2.77 0.13 5.58 5.36 -0.91 -5.00 117.98 122.70 3nnk s PHE 392 Ca 0.10 -1.59 -0.31 0.00 -0.96 0.00 0.00 56.93 54.17 3nnk s PHE 392 Cb -0.01 -1.91 -0.08 0.00 -0.34 0.00 0.00 43.02 40.68 3nnk s PHE 392 CO 0.42 -0.78 1.34 -2.14 -1.46 0.00 0.00 175.22 172.60 3nnk s PRO 393 N 1.23 4.36 0.09 10.12 0.02 -1.26 -3.93 135.00 145.62 3nnk s PRO 393 Ca 0.03 2.02 0.04 0.00 0.02 0.00 0.00 61.00 63.12 3nnk s PRO 393 Cb -0.13 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 31.11 3nnk s PRO 393 CO -0.11 -0.35 -0.12 0.95 -0.33 0.00 0.00 177.00 177.03 3nnk s THR 394 N 0.80 1.04 0.01 0.99 -4.23 -1.26 -5.00 115.64 107.99 3nnk s THR 394 Ca 0.61 -1.52 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 3nnk s THR 394 Cb -0.36 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.18 3nnk s THR 394 CO 0.32 -0.42 1.25 -0.89 -0.54 0.00 0.00 174.62 174.34 3nnk s THR 395 N -1.96 4.02 0.06 3.99 2.01 -1.26 -4.96 115.64 117.55 3nnk s THR 395 Ca 0.03 1.41 -0.31 0.00 0.31 0.00 0.00 61.69 63.13 3nnk s THR 395 Cb -0.06 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 3nnk s THR 395 CO 0.01 0.04 1.70 -1.58 -0.69 0.00 0.00 174.62 174.10 3nnk s GLN 396 N 1.79 4.18 0.00 4.92 0.74 -1.26 -2.40 119.66 127.63 3nnk s GLN 396 Ca 0.59 2.37 0.00 0.00 0.05 0.00 0.00 55.36 58.37 3nnk s GLN 396 Cb -0.28 -3.67 0.00 0.00 1.10 0.00 0.00 33.01 30.16 3nnk s GLN 396 CO 0.26 -0.77 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 3nnk n GLY 397 N 4.08 0.51 0.07 2.59 0.00 -1.26 -4.91 105.19 106.27 3nnk n GLY 397 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3nnk n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nnk h ALA 398 N 0.00 0.04 -0.42 4.61 0.00 -1.81 -2.19 119.26 119.50 3nnk h ALA 398 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.67 3nnk h ALA 398 Cb 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3nnk h ALA 398 CO 0.00 -0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.27 3nnk h ALA 399 N 0.48 0.50 -0.29 0.00 0.00 -1.78 -2.21 119.26 115.96 3nnk h ALA 399 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3nnk h ALA 399 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3nnk h ALA 399 CO 0.01 -0.21 -0.40 0.52 0.00 0.00 0.00 179.25 179.18 3nnk h MET 400 N 0.35 0.69 -0.04 0.00 2.86 -1.86 -2.89 114.93 114.04 3nnk h MET 400 Ca 0.19 -0.35 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3nnk h MET 400 Cb 0.14 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3nnk h MET 400 CO -0.17 0.96 -0.05 0.37 1.06 0.00 0.00 176.91 179.09 3nnk h GLN 401 N 0.56 -0.07 -0.49 1.72 5.75 -1.10 0.16 115.11 121.65 3nnk h GLN 401 Ca 0.05 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3nnk h GLN 401 Cb 0.93 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 3nnk h GLN 401 CO 0.08 -0.05 0.20 0.00 -2.65 0.00 0.00 178.83 176.41 3nnk h ALA 402 N 0.96 1.43 -0.07 3.38 0.00 -1.41 0.12 119.26 123.68 3nnk h ALA 402 Ca 0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3nnk h ALA 402 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3nnk h ALA 402 CO -0.08 0.44 -0.21 0.00 0.00 0.00 0.00 179.25 179.40 3nnk h ALA 403 N 1.53 0.12 -0.85 0.00 0.00 -1.27 -2.29 119.26 116.49 3nnk h ALA 403 Ca 0.17 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3nnk h ALA 403 Cb 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3nnk h ALA 403 CO -0.02 0.08 0.53 -1.49 0.00 0.00 0.00 179.25 178.36 3nnk h TRP 404 N -0.24 1.11 -0.67 0.00 6.55 -0.50 -2.39 115.95 119.81 3nnk h TRP 404 Ca -0.01 0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.78 3nnk h TRP 404 Cb 0.83 -0.37 -0.03 0.00 -0.86 0.00 0.00 29.16 28.73 3nnk h TRP 404 CO 0.12 0.72 0.19 -0.44 -1.05 0.00 0.00 178.44 177.98 3nnk h ASP 405 N 1.17 0.99 -0.38 -3.49 3.32 -0.77 -1.77 116.42 115.49 3nnk h ASP 405 Ca 0.31 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3nnk h ASP 405 Cb -0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 3nnk h ASP 405 CO -0.06 0.94 0.10 -0.74 -1.72 0.00 0.00 179.24 177.75 3nnk h HIS 406 N 1.01 0.64 -0.18 4.55 2.76 -1.02 -1.23 115.15 121.68 3nnk h HIS 406 Ca 0.22 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 3nnk h HIS 406 Cb 0.32 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3nnk h HIS 406 CO 0.02 0.62 -0.28 1.88 -1.30 0.00 0.00 177.93 178.88 3nnk h TYR 407 N 0.48 0.39 -0.21 5.26 0.05 -1.36 -1.56 116.97 120.02 3nnk h TYR 407 Ca 0.12 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 3nnk h TYR 407 Cb 0.30 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3nnk h TYR 407 CO 0.02 0.60 0.02 0.00 -1.05 0.00 0.00 178.16 177.75 3nnk h ARG 408 N 0.31 0.35 -0.34 4.88 -0.00 -1.15 -2.72 114.38 115.72 3nnk h ARG 408 Ca 0.05 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.98 59.31 3nnk h ARG 408 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.57 3nnk h ARG 408 CO 0.05 0.52 -0.26 0.77 0.00 0.00 0.00 179.97 181.05 3nnk h SER 409 N 0.14 0.70 1.50 7.04 0.02 -1.08 -3.00 113.55 118.87 3nnk h SER 409 Ca 0.06 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3nnk h SER 409 Cb 0.35 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3nnk h SER 409 CO 0.01 0.94 0.00 -0.33 -1.14 0.00 0.00 176.83 176.30 3nnk h GLU 410 N 0.59 0.00 -0.03 3.45 5.08 -1.33 -3.51 114.58 118.84 3nnk h GLU 410 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3nnk h GLU 410 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3nnk h GLU 410 CO 0.06 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.96