#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk h ILE 3 N 0.00 1.46 0.00 5.18 6.09 -2.08 -3.20 117.51 124.96 3nnk h ILE 3 Ca 0.00 -2.42 -0.01 0.00 -1.37 0.00 0.00 64.86 61.06 3nnk h ILE 3 Cb 0.00 2.32 -0.00 0.00 0.47 0.00 0.00 36.82 39.61 3nnk h ILE 3 CO 0.00 0.71 -0.05 0.71 -3.07 0.00 0.00 178.15 176.45 3nnk h THR 4 N 0.13 0.31 -0.03 2.19 1.35 -2.10 -0.18 112.91 114.58 3nnk h THR 4 Ca -0.03 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3nnk h THR 4 Cb 1.39 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3nnk h THR 4 CO 0.12 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.44 3nnk n GLN 5 N -3.42 1.13 -3.69 4.72 10.64 -1.21 -4.46 117.38 121.10 3nnk n GLN 5 Ca -0.02 -0.20 -0.38 0.00 -1.83 0.00 0.00 57.00 54.56 3nnk n GLN 5 Cb 0.18 -1.29 -0.12 0.00 -0.86 0.00 0.00 30.24 28.15 3nnk n GLN 5 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3nnk s PHE 6 N -1.96 3.19 0.54 2.61 0.40 -0.08 -5.06 117.98 117.63 3nnk s PHE 6 Ca 0.26 -0.93 0.05 0.00 -0.60 0.00 0.00 56.93 55.71 3nnk s PHE 6 Cb 0.13 -2.33 0.03 0.00 0.51 0.00 0.00 43.02 41.36 3nnk s PHE 6 CO 0.21 -0.58 0.38 -1.54 0.70 0.00 0.00 175.22 174.38 3nnk s SER 7 N 1.53 4.60 0.30 1.36 1.04 -1.26 -5.01 113.70 116.26 3nnk s SER 7 Ca 0.02 -1.27 -0.28 0.00 0.48 0.00 0.00 55.95 54.91 3nnk s SER 7 Cb -0.18 0.41 -0.14 0.00 0.10 0.00 0.00 66.02 66.21 3nnk s SER 7 CO 0.04 -1.08 1.02 1.67 0.98 0.00 0.00 173.24 175.87 3nnk n GLN 8 N -1.73 1.38 -1.68 4.02 7.27 -1.26 -4.85 117.38 120.53 3nnk n GLN 8 Ca -0.03 0.48 -0.47 0.00 0.07 0.00 0.00 57.00 57.05 3nnk n GLN 8 Cb 0.64 -1.87 -0.04 0.00 2.41 0.00 0.00 30.24 31.38 3nnk n GLN 8 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3nnk n LEU 9 N 1.17 3.44 -3.32 1.69 -0.00 -1.26 -4.95 117.00 113.77 3nnk n LEU 9 Ca 0.09 0.99 -0.20 0.00 -0.00 0.00 0.00 56.01 56.89 3nnk n LEU 9 Cb 0.33 -1.40 -0.08 0.00 -0.00 0.00 0.00 43.42 42.27 3nnk n LEU 9 CO 0.60 -0.08 -0.19 0.21 -0.00 0.00 0.00 177.39 177.92 3nnk s ASN 10 N 3.38 1.26 0.25 1.96 3.04 -1.26 -5.14 114.94 118.43 3nnk s ASN 10 Ca 0.89 -2.07 -0.18 0.00 0.04 0.00 0.00 52.86 51.54 3nnk s ASN 10 Cb -0.67 0.30 -0.08 0.00 -1.54 0.00 0.00 41.25 39.26 3nnk s ASN 10 CO 0.48 -0.22 0.73 -2.16 -3.04 0.00 0.00 177.10 172.89 3nnk s PRO 11 N 0.97 4.19 0.58 0.43 0.04 -1.26 -5.05 135.00 134.90 3nnk s PRO 11 Ca 0.22 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 3nnk s PRO 11 Cb -0.11 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 3nnk s PRO 11 CO -0.06 0.32 1.19 -1.25 0.04 0.00 0.00 177.00 177.24 3nnk s PRO 12 N -2.27 3.09 0.09 0.56 0.04 -1.26 -4.95 135.00 130.30 3nnk s PRO 12 Ca 0.46 1.78 -0.31 0.00 0.04 0.00 0.00 61.00 62.98 3nnk s PRO 12 Cb -0.15 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3nnk s PRO 12 CO 0.20 -1.10 1.68 0.45 0.04 0.00 0.00 177.00 178.27 3nnk s SER 13 N -1.61 6.57 0.01 6.66 0.15 -1.26 -5.00 113.70 119.22 3nnk s SER 13 Ca 0.76 2.55 0.01 0.00 0.70 0.00 0.00 55.95 59.97 3nnk s SER 13 Cb -0.29 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.44 3nnk s SER 13 CO 0.32 -0.90 -0.04 -0.13 1.20 0.00 0.00 173.24 173.68 3nnk s ARG 14 N 2.52 0.34 -0.38 5.44 1.81 -1.26 -4.84 118.95 122.59 3nnk s ARG 14 Ca 0.75 -0.35 -0.10 0.00 -1.72 0.00 0.00 55.73 54.31 3nnk s ARG 14 Cb -0.41 -0.22 0.04 0.00 -0.45 0.00 0.00 34.95 33.91 3nnk s ARG 14 CO 0.33 0.05 0.21 -1.17 -0.68 0.00 0.00 175.30 174.03 3nnk s LEU 15 N -0.64 4.77 -0.69 2.53 2.96 0.20 -4.97 118.68 122.84 3nnk s LEU 15 Ca -0.04 -1.12 -0.20 0.00 -0.22 0.00 0.00 54.13 52.55 3nnk s LEU 15 Cb -0.05 -2.00 0.10 0.00 0.50 0.00 0.00 46.19 44.75 3nnk s LEU 15 CO -0.00 -0.41 0.88 -0.76 -1.32 0.00 0.00 176.35 174.74 3nnk s LEU 16 N 1.51 5.03 -0.21 -0.68 1.43 -1.26 -0.87 118.68 123.62 3nnk s LEU 16 Ca 0.02 -1.45 0.13 0.00 -1.03 0.00 0.00 54.13 51.79 3nnk s LEU 16 Cb -0.20 -2.36 0.43 0.00 0.03 0.00 0.00 46.19 44.09 3nnk s LEU 16 CO 0.05 -1.20 1.30 0.23 0.23 0.00 0.00 176.35 176.97 3nnk n MET 17 N 6.76 1.76 0.00 1.70 2.81 -0.28 -4.36 117.12 125.50 3nnk n MET 17 Ca 0.00 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 3nnk n MET 17 Cb 0.45 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 -1.12 0.43 0.19 3.03 0.00 -0.91 0.35 105.19 107.17 3nnk n GLY 18 Ca 0.23 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.58 3nnk n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 19 N 0.00 1.25 0.00 1.61 -0.04 -1.26 -2.86 135.00 133.70 3nnk n PRO 19 Ca 0.00 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 3nnk n PRO 19 Cb 0.00 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3nnk n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nnk n GLY 20 N 0.83 3.08 3.78 0.55 0.00 -1.26 -4.93 105.19 107.24 3nnk n GLY 20 Ca 0.11 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.64 3.76 0.40 1.61 0.04 -1.26 -5.13 135.00 130.78 3nnk s PRO 21 Ca 0.00 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.67 3nnk s PRO 21 Cb 0.00 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 3nnk s PRO 21 CO 0.00 -0.50 0.40 0.96 0.04 0.00 0.00 177.00 177.90 3nnk s ILE 22 N -1.76 2.96 0.34 0.56 -5.25 -0.04 -4.84 121.20 113.17 3nnk s ILE 22 Ca 0.66 -1.27 -0.28 0.00 -0.99 0.00 0.00 60.65 58.76 3nnk s ILE 22 Cb -0.22 -3.06 -0.12 0.00 2.95 0.00 0.00 42.46 42.01 3nnk s ILE 22 CO 0.27 -0.04 1.37 0.59 -1.79 0.00 0.00 174.94 175.34 3nnk n ASN 23 N -1.57 3.10 -4.83 4.36 4.13 -1.26 -4.86 115.26 114.32 3nnk n ASN 23 Ca 0.03 1.20 -0.31 0.00 1.68 0.00 0.00 54.58 57.18 3nnk n ASN 23 Cb 0.61 -1.52 0.03 0.00 -1.54 0.00 0.00 39.78 37.35 3nnk n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk s ALA 24 N -0.93 2.85 0.14 5.41 0.00 -1.26 -4.49 121.76 123.47 3nnk s ALA 24 Ca 0.57 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 3nnk s ALA 24 Cb -0.55 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.35 3nnk s ALA 24 CO 0.61 -0.92 1.28 0.34 0.00 0.00 0.00 175.76 177.06 3nnk s ASP 25 N -3.70 6.97 0.44 0.00 -1.08 -0.69 -4.92 116.67 113.69 3nnk s ASP 25 Ca 0.58 2.25 0.20 0.00 -0.52 0.00 0.00 52.55 55.06 3nnk s ASP 25 Cb -0.13 -2.60 1.16 0.00 -1.46 0.00 0.00 42.92 39.89 3nnk s ASP 25 CO 0.50 -0.51 1.85 -0.65 0.52 0.00 0.00 175.17 176.89 3nnk h PRO 26 N 6.05 0.32 0.00 4.34 0.11 -1.95 0.11 132.00 140.97 3nnk h PRO 26 Ca -0.43 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3nnk h PRO 26 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3nnk h PRO 26 CO 0.80 0.21 -0.28 0.00 -0.21 0.00 0.00 178.00 178.52 3nnk h ARG 27 N 0.33 0.00 -0.05 1.05 -0.00 -1.96 -2.84 114.38 110.91 3nnk h ARG 27 Ca 0.47 0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 59.73 3nnk h ARG 27 Cb 1.30 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.28 3nnk h ARG 27 CO -0.16 0.28 -0.82 0.28 0.00 0.00 0.00 179.97 179.55 3nnk h VAL 28 N 0.00 1.32 -0.69 2.04 2.07 -1.28 -2.89 116.25 116.81 3nnk h VAL 28 Ca -0.00 -2.08 -0.07 0.00 0.82 0.00 0.00 66.70 65.36 3nnk h VAL 28 Cb 0.50 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 3nnk h VAL 28 CO 0.04 0.64 0.14 -0.07 0.02 0.00 0.00 177.57 178.34 3nnk h LEU 29 N 0.30 1.07 -0.72 2.57 3.38 -1.49 -2.95 115.31 117.48 3nnk h LEU 29 Ca -0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3nnk h LEU 29 Cb 1.48 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3nnk h LEU 29 CO 0.16 1.04 0.28 0.03 0.09 0.00 0.00 178.44 180.05 3nnk h ARG 30 N 1.06 1.09 0.00 1.13 3.08 -1.54 -2.36 114.38 116.84 3nnk h ARG 30 Ca 0.21 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3nnk h ARG 30 Cb 0.41 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3nnk h ARG 30 CO 0.01 0.90 -0.07 0.00 -1.07 0.00 0.00 179.97 179.74 3nnk h ALA 31 N 1.13 1.21 0.00 0.04 0.00 -1.39 -2.32 119.26 117.94 3nnk h ALA 31 Ca 0.24 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 31 Cb 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3nnk h ALA 31 CO -0.02 0.09 -0.55 0.52 0.00 0.00 0.00 179.25 179.29 3nnk h MET 32 N 0.00 0.00 0.00 0.00 2.86 -1.26 -3.03 114.93 113.50 3nnk h MET 32 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3nnk h MET 32 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3nnk h MET 32 CO 0.01 0.55 0.00 -1.13 1.06 0.00 0.00 176.91 177.40 3nnk n SER 33 N -3.44 0.05 -4.75 1.22 3.41 -0.87 -4.87 113.62 104.36 3nnk n SER 33 Ca 0.00 0.51 -0.38 0.00 -0.26 0.00 0.00 58.87 58.75 3nnk n SER 33 Cb 0.66 -0.52 0.04 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 -3.10 5.18 0.62 4.04 0.15 -1.15 -4.98 113.70 114.47 3nnk s SER 34 Ca 0.11 2.64 -0.17 0.00 0.70 0.00 0.00 55.95 59.23 3nnk s SER 34 Cb 0.15 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3nnk s SER 34 CO 0.43 -1.62 1.14 -1.10 1.20 0.00 0.00 173.24 173.30 3nnk s GLN 35 N -3.05 2.93 0.62 5.44 -0.21 -1.26 -4.99 119.66 119.13 3nnk s GLN 35 Ca 0.74 1.58 -0.07 0.00 0.02 0.00 0.00 55.36 57.63 3nnk s GLN 35 Cb -0.37 -1.95 0.01 0.00 1.00 0.00 0.00 33.01 31.70 3nnk s GLN 35 CO 0.43 -1.18 0.95 -0.51 -2.12 0.00 0.00 175.29 172.85 3nnk s LEU 36 N -4.43 3.15 0.31 2.90 1.43 -1.26 -5.07 118.68 115.71 3nnk s LEU 36 Ca 0.71 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.65 3nnk s LEU 36 Cb -0.24 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.29 3nnk s LEU 36 CO 0.36 -1.13 0.08 0.27 0.23 0.00 0.00 176.35 176.16 3nnk s ILE 37 N -3.08 0.89 0.74 -0.59 -0.00 -1.26 -5.16 121.20 112.75 3nnk s ILE 37 Ca 0.55 -2.00 -0.13 0.00 -0.00 0.00 0.00 60.65 59.07 3nnk s ILE 37 Cb -0.11 -2.70 0.04 0.00 -0.00 0.00 0.00 42.46 39.70 3nnk s ILE 37 CO 0.47 0.00 1.12 -0.83 -0.00 0.00 0.00 174.94 175.69 3nnk s GLY 38 N -3.43 1.94 0.30 6.27 0.00 -1.26 -4.93 107.32 106.21 3nnk s GLY 38 Ca 0.36 0.48 0.05 0.00 0.00 0.00 0.00 44.72 45.61 3nnk s GLY 38 CO 0.15 0.84 1.76 -1.61 0.00 0.00 0.00 173.10 174.24 3nnk h GLN 39 N -0.66 0.67 -0.24 2.90 4.15 -2.01 -2.86 115.11 117.06 3nnk h GLN 39 Ca -0.45 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 58.86 3nnk h GLN 39 Cb 1.25 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.75 3nnk h GLN 39 CO 0.51 0.44 -0.05 0.66 -1.93 0.00 0.00 178.83 178.47 3nnk n TYR 40 N -4.82 0.80 -2.18 3.99 4.01 -1.26 -4.70 117.16 113.00 3nnk n TYR 40 Ca 0.23 -1.18 -0.41 0.00 -0.16 0.00 0.00 57.90 56.38 3nnk n TYR 40 Cb 0.58 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 -2.36 6.86 0.55 7.72 -1.08 -1.08 -4.90 116.67 122.39 3nnk s ASP 41 Ca 0.41 2.53 0.30 0.00 -0.52 0.00 0.00 52.55 55.27 3nnk s ASP 41 Cb 0.36 -2.63 1.46 0.00 -1.46 0.00 0.00 42.92 40.65 3nnk s ASP 41 CO 0.04 -0.51 1.89 -0.65 0.52 0.00 0.00 175.17 176.46 3nnk h PRO 42 N 4.42 0.00 -0.28 4.34 0.11 -1.94 0.17 132.00 138.81 3nnk h PRO 42 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 3nnk h PRO 42 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3nnk h PRO 42 CO 0.72 0.00 -0.47 0.00 -0.21 0.00 0.00 178.00 178.04 3nnk h ALA 43 N 1.52 0.64 -0.29 -0.75 0.00 -1.95 -1.65 119.26 116.77 3nnk h ALA 43 Ca 0.35 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3nnk h ALA 43 Cb 1.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3nnk h ALA 43 CO -0.00 0.67 0.02 1.98 0.00 0.00 0.00 179.25 181.92 3nnk h MET 44 N 0.60 0.50 0.00 0.00 -1.53 -0.98 -0.86 114.93 112.66 3nnk h MET 44 Ca 0.03 -0.15 -0.08 0.00 -3.44 0.00 0.00 59.70 56.06 3nnk h MET 44 Cb 1.03 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 32.02 3nnk h MET 44 CO 0.10 0.63 -0.40 1.79 0.14 0.00 0.00 176.91 179.17 3nnk h THR 45 N 0.31 0.98 -0.31 -0.77 1.35 -1.41 -0.52 112.91 112.53 3nnk h THR 45 Ca 0.09 -1.55 -0.14 0.00 -0.55 0.00 0.00 66.41 64.26 3nnk h THR 45 Cb 0.39 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3nnk h THR 45 CO 0.01 0.39 -0.33 -0.74 -0.25 0.00 0.00 175.52 174.60 3nnk h HIS 46 N 0.00 0.94 -0.19 4.73 6.17 -1.18 -2.11 115.15 123.52 3nnk h HIS 46 Ca -0.00 -0.29 -0.10 0.00 0.71 0.00 0.00 60.37 60.68 3nnk h HIS 46 Cb 0.89 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.61 3nnk h HIS 46 CO 0.00 1.06 -0.33 1.88 0.71 0.00 0.00 177.93 181.25 3nnk h TYR 47 N 0.55 0.44 -0.23 5.26 0.99 -0.80 -0.17 116.97 123.00 3nnk h TYR 47 Ca 0.05 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 3nnk h TYR 47 Cb 0.92 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.53 3nnk h TYR 47 CO 0.07 0.68 0.01 0.52 -0.00 0.00 0.00 178.16 179.44 3nnk h MET 48 N 0.33 0.40 -0.43 4.88 2.86 -1.13 -1.53 114.93 120.32 3nnk h MET 48 Ca 0.04 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3nnk h MET 48 Cb 0.75 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 3nnk h MET 48 CO 0.06 0.57 0.29 -0.91 1.06 0.00 0.00 176.91 177.97 3nnk h ASN 49 N 0.18 0.45 -0.22 1.22 -0.26 -1.10 -1.58 115.58 114.27 3nnk h ASN 49 Ca 0.07 -0.01 -0.17 0.00 -0.56 0.00 0.00 56.30 55.63 3nnk h ASN 49 Cb 0.38 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3nnk h ASN 49 CO 0.01 0.32 -0.52 -0.33 -1.06 0.00 0.00 177.43 175.85 3nnk h GLU 50 N 0.53 0.75 -0.72 0.81 5.08 -0.91 -2.58 114.58 117.54 3nnk h GLU 50 Ca 0.17 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3nnk h GLU 50 Cb 0.01 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3nnk h GLU 50 CO -0.04 1.13 0.43 0.28 -1.00 0.00 0.00 179.01 179.81 3nnk h VAL 51 N 0.47 1.21 0.32 3.13 2.07 -0.75 0.30 116.25 123.00 3nnk h VAL 51 Ca -0.00 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3nnk h VAL 51 Cb 1.14 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3nnk h VAL 51 CO 0.11 0.22 -0.29 0.24 0.02 0.00 0.00 177.57 177.87 3nnk h MET 52 N 0.99 -0.61 -0.45 1.57 2.86 -1.33 -1.12 114.93 116.83 3nnk h MET 52 Ca 0.26 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 58.00 3nnk h MET 52 Cb -0.02 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 3nnk h MET 52 CO -0.05 -0.40 0.13 0.00 1.06 0.00 0.00 176.91 177.65 3nnk h ALA 53 N -0.06 0.53 -0.79 6.32 0.00 -1.08 -2.32 119.26 121.86 3nnk h ALA 53 Ca -0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3nnk h ALA 53 Cb 0.57 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3nnk h ALA 53 CO -0.04 -0.27 0.30 -0.07 0.00 0.00 0.00 179.25 179.17 3nnk h LEU 54 N 0.28 1.10 -0.42 0.00 3.38 -0.26 -2.98 115.31 116.43 3nnk h LEU 54 Ca 0.22 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3nnk h LEU 54 Cb 0.25 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3nnk h LEU 54 CO -0.25 0.99 -0.22 1.88 0.09 0.00 0.00 178.44 180.93 3nnk h TYR 55 N 1.16 0.00 -0.55 1.13 0.05 -0.97 -2.56 116.97 115.22 3nnk h TYR 55 Ca 0.26 0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.07 3nnk h TYR 55 Cb 0.24 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 3nnk h TYR 55 CO 0.02 0.22 0.37 0.00 -1.05 0.00 0.00 178.16 177.72 3nnk h ARG 56 N 0.00 0.64 0.04 4.88 3.08 -1.26 0.19 114.38 121.95 3nnk h ARG 56 Ca -0.00 -0.04 -0.24 0.00 0.07 0.00 0.00 59.98 59.77 3nnk h ARG 56 Cb 1.01 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3nnk h ARG 56 CO 0.03 0.42 -1.03 0.78 -1.07 0.00 0.00 179.97 179.10 3nnk h GLY 57 N 0.65 0.40 0.75 0.04 0.00 -1.46 0.32 103.07 103.78 3nnk h GLY 57 Ca 0.22 -0.79 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3nnk h GLY 57 CO -0.06 0.69 -0.21 -2.08 0.00 0.00 0.00 176.54 174.88 3nnk h VAL 58 N 0.18 1.36 0.00 4.60 2.07 -1.12 -3.15 116.25 120.19 3nnk h VAL 58 Ca -0.09 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 65.98 3nnk h VAL 58 Cb 1.69 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 3nnk h VAL 58 CO 0.17 0.42 0.00 -0.26 0.02 0.00 0.00 177.57 177.93 3nnk h PHE 59 N -0.01 0.00 -4.83 1.57 0.04 -0.72 -3.46 116.94 109.53 3nnk h PHE 59 Ca 0.01 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.58 3nnk h PHE 59 Cb 0.78 0.00 0.14 0.00 2.20 0.00 0.00 35.95 39.07 3nnk h PHE 59 CO 0.10 0.00 -0.63 0.54 -0.60 0.00 0.00 178.31 177.71 3nnk n ARG 60 N -2.55 -2.71 -3.98 1.51 5.12 -0.62 -2.85 116.66 110.58 3nnk n ARG 60 Ca 0.03 0.65 -0.08 0.00 -1.93 0.00 0.00 57.85 56.52 3nnk n ARG 60 Cb 0.33 -4.87 -0.09 0.00 -1.16 0.00 0.00 32.46 26.67 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 -3.29 0.17 -1.18 0.55 -1.32 0.10 -3.20 115.64 107.47 3nnk s THR 61 Ca 0.24 -1.51 0.13 0.00 -1.21 0.00 0.00 61.69 59.34 3nnk s THR 61 Cb -0.03 -1.50 0.32 0.00 -1.51 0.00 0.00 72.50 69.77 3nnk s THR 61 CO 0.56 -0.75 1.24 -0.62 -2.21 0.00 0.00 174.62 172.83 3nnk n GLU 62 N -0.01 2.52 -1.61 7.08 1.02 -1.26 -4.46 120.64 123.93 3nnk n GLU 62 Ca -0.13 -2.00 -0.53 0.00 -0.02 0.00 0.00 57.16 54.47 3nnk n GLU 62 Cb 0.62 -1.30 -0.07 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.70 2.56 -0.05 1.62 3.02 -1.26 -4.84 115.26 117.01 3nnk n ASN 63 Ca 0.13 0.81 0.17 0.00 -0.03 0.00 0.00 54.58 55.66 3nnk n ASN 63 Cb 0.43 -1.24 0.61 0.00 -0.61 0.00 0.00 39.78 38.97 3nnk n ASN 63 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3nnk h ARG 64 N 9.58 0.17 -2.69 3.52 2.43 -1.96 -3.26 114.38 122.18 3nnk h ARG 64 Ca -0.40 -0.01 -0.80 0.00 -0.81 0.00 0.00 59.98 57.96 3nnk h ARG 64 Cb 1.31 -0.04 -0.28 0.00 -0.42 0.00 0.00 29.97 30.54 3nnk h ARG 64 CO 0.98 0.11 0.83 0.91 -1.51 0.00 0.00 179.97 181.29 3nnk n TRP 65 N -4.43 2.42 -4.02 2.20 7.02 -1.26 -4.92 117.44 114.45 3nnk n TRP 65 Ca 0.10 -2.60 -0.34 0.00 -1.02 0.00 0.00 57.50 53.64 3nnk n TRP 65 Cb 0.53 -1.22 -0.15 0.00 -2.42 0.00 0.00 31.31 28.05 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 -3.28 2.60 0.19 -0.99 2.01 -1.23 -0.48 115.64 114.45 3nnk s THR 66 Ca 0.34 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 3nnk s THR 66 Cb 0.10 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.41 3nnk s THR 66 CO 0.03 0.37 0.35 1.15 -0.69 0.00 0.00 174.62 175.84 3nnk n MET 67 N 4.66 0.51 -4.59 4.92 0.00 0.31 -4.32 117.12 118.60 3nnk n MET 67 Ca -0.19 -1.18 -0.34 0.00 0.00 0.00 0.00 57.70 56.00 3nnk n MET 67 Cb 0.49 1.37 -0.12 0.00 0.00 0.00 0.00 33.22 34.95 3nnk n MET 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3nnk s LEU 68 N 0.00 3.12 -0.25 3.17 1.43 -1.26 0.07 118.68 124.95 3nnk s LEU 68 Ca 0.10 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 3nnk s LEU 68 Cb -0.02 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 3nnk s LEU 68 CO 0.07 0.28 0.21 -0.69 0.23 0.00 0.00 176.35 176.45 3nnk s VAL 69 N -0.29 5.32 -1.00 -1.59 1.01 0.12 -4.96 120.40 119.01 3nnk s VAL 69 Ca 0.04 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.05 3nnk s VAL 69 Cb -0.13 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.74 3nnk s VAL 69 CO 0.02 0.30 1.55 -1.81 0.00 0.00 0.00 175.10 175.16 3nnk s ASP 70 N 1.25 6.24 0.00 3.32 -0.00 -1.26 -0.80 116.67 125.42 3nnk s ASP 70 Ca 0.09 -1.31 0.00 0.00 -0.00 0.00 0.00 52.55 51.33 3nnk s ASP 70 Cb -0.14 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.21 3nnk s ASP 70 CO 0.07 -1.75 0.00 0.61 -0.00 0.00 0.00 175.17 174.10 3nnk n GLY 71 N 6.87 1.06 3.40 0.21 0.00 -0.62 -4.99 105.19 111.12 3nnk n GLY 71 Ca 0.35 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 3nnk n GLY 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3nnk n THR 72 N -0.52 0.00 -0.22 2.61 -1.04 -1.26 -2.17 114.28 111.68 3nnk n THR 72 Ca 0.00 -0.43 0.01 0.00 -2.04 0.00 0.00 64.05 61.59 3nnk n THR 72 Cb 0.00 -0.89 0.13 0.00 -1.82 0.00 0.00 70.33 67.75 3nnk n THR 72 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3nnk h SER 73 N -2.58 0.31 0.46 8.00 0.02 -1.79 -0.69 113.55 117.29 3nnk h SER 73 Ca -0.61 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 3nnk h SER 73 Cb 1.35 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3nnk h SER 73 CO 0.47 0.17 0.00 -2.11 -1.14 0.00 0.00 176.83 174.22 3nnk n ARG 74 N -4.95 0.21 0.12 3.45 1.85 -1.26 -2.11 116.66 113.98 3nnk n ARG 74 Ca 0.10 0.11 -0.20 0.00 -1.00 0.00 0.00 57.85 56.86 3nnk n ARG 74 Cb 0.29 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.06 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 2.89 -0.02 -0.32 2.89 0.00 -1.43 -2.35 119.26 120.92 3nnk h ALA 75 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 54.91 53.95 3nnk h ALA 75 Cb 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3nnk h ALA 75 CO 0.00 0.82 -0.21 0.78 0.00 0.00 0.00 179.25 180.64 3nnk h GLY 76 N 0.84 0.65 0.90 0.00 0.00 -1.32 0.12 103.07 104.26 3nnk h GLY 76 Ca -0.19 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 3nnk h GLY 76 CO 0.24 0.48 -0.20 -2.22 0.00 0.00 0.00 176.54 174.84 3nnk h ILE 77 N 0.53 0.59 -0.66 2.60 2.04 -1.58 -2.85 117.51 118.18 3nnk h ILE 77 Ca 0.08 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3nnk h ILE 77 Cb 0.66 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3nnk h ILE 77 CO 0.05 0.03 0.33 -0.08 0.00 0.00 0.00 178.15 178.48 3nnk h GLU 78 N -0.66 0.93 -0.67 2.37 4.81 -1.24 0.21 114.58 120.32 3nnk h GLU 78 Ca -0.06 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3nnk h GLU 78 Cb 0.48 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 3nnk h GLU 78 CO 0.09 0.70 0.33 0.00 -0.73 0.00 0.00 179.01 179.41 3nnk h ALA 79 N 1.44 0.91 0.05 2.92 0.00 -0.80 -0.33 119.26 123.45 3nnk h ALA 79 Ca 0.23 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3nnk h ALA 79 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3nnk h ALA 79 CO -0.03 -0.05 -0.02 0.82 0.00 0.00 0.00 179.25 179.96 3nnk h ILE 80 N 0.58 1.29 -0.62 0.00 2.04 -0.96 -2.40 117.51 117.44 3nnk h ILE 80 Ca 0.32 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3nnk h ILE 80 Cb 0.31 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 3nnk h ILE 80 CO -0.25 0.30 0.35 -0.07 0.00 0.00 0.00 178.15 178.49 3nnk h LEU 81 N -0.63 0.76 -1.43 1.44 3.38 -0.95 0.60 115.31 118.47 3nnk h LEU 81 Ca -0.01 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3nnk h LEU 81 Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3nnk h LEU 81 CO 0.01 0.62 -0.24 0.58 0.09 0.00 0.00 178.44 179.50 3nnk h VAL 82 N 0.83 1.19 0.00 1.22 2.07 -1.15 -0.36 116.25 120.06 3nnk h VAL 82 Ca 0.22 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 3nnk h VAL 82 Cb 0.02 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3nnk h VAL 82 CO -0.04 0.26 -0.63 0.28 0.02 0.00 0.00 177.57 177.47 3nnk h SER 83 N 0.06 0.00 0.00 0.57 0.02 -0.82 -3.39 113.55 110.00 3nnk h SER 83 Ca 0.01 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.57 3nnk h SER 83 Cb 0.46 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 3nnk h SER 83 CO 0.03 0.27 -2.45 0.00 -1.14 0.00 0.00 176.83 173.54 3nnk n ALA 84 N -2.21 1.44 -2.61 3.77 0.00 0.13 -4.56 120.51 116.48 3nnk n ALA 84 Ca 0.00 -1.14 -0.41 0.00 0.00 0.00 0.00 53.44 51.89 3nnk n ALA 84 Cb 0.66 -0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 3nnk n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nnk s ILE 85 N -2.52 5.00 0.41 0.00 1.01 -0.16 -5.00 121.20 119.94 3nnk s ILE 85 Ca -0.30 0.88 -0.13 0.00 0.00 0.00 0.00 60.65 61.10 3nnk s ILE 85 Cb 0.08 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 3nnk s ILE 85 CO 0.65 -0.04 0.82 -0.13 0.00 0.00 0.00 174.94 176.24 3nnk s ARG 86 N 2.47 3.88 -0.08 2.79 3.00 -1.26 -4.77 118.95 124.99 3nnk s ARG 86 Ca 0.23 0.65 -0.36 0.00 0.00 0.00 0.00 55.73 56.25 3nnk s ARG 86 Cb -0.15 -2.34 -0.13 0.00 0.00 0.00 0.00 34.95 32.33 3nnk s ARG 86 CO 0.10 -0.04 1.75 -2.30 0.00 0.00 0.00 175.30 174.81 3nnk n PRO 87 N -1.12 1.85 0.00 3.54 -0.02 -1.26 -2.48 135.00 135.50 3nnk n PRO 87 Ca 0.04 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3nnk n PRO 87 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 4.03 3.19 2.63 -1.23 0.00 0.20 -4.99 105.19 109.01 3nnk n GLY 88 Ca 0.22 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 0.96 -0.43 -4.80 1.61 8.00 -1.04 -3.40 116.55 117.46 3nnk n ASP 89 Ca 0.00 0.87 -0.33 0.00 0.71 0.00 0.00 54.79 56.04 3nnk n ASP 89 Cb 0.00 -0.71 -0.00 0.00 -0.02 0.00 0.00 41.12 40.39 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 -0.34 3.46 -0.07 -1.24 1.02 -1.26 -3.03 119.74 118.29 3nnk s LYS 90 Ca 0.60 1.30 -0.08 0.00 0.02 0.00 0.00 55.97 57.81 3nnk s LYS 90 Cb -0.85 -2.05 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 3nnk s LYS 90 CO 0.43 -0.70 0.22 0.08 -0.92 0.00 0.00 175.35 174.46 3nnk s VAL 91 N -2.23 0.02 -0.13 3.17 1.01 -0.67 -2.22 120.40 119.35 3nnk s VAL 91 Ca 0.66 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.53 3nnk s VAL 91 Cb -0.17 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3nnk s VAL 91 CO 0.30 -0.07 -0.22 -0.22 0.00 0.00 0.00 175.10 174.89 3nnk s LEU 92 N -0.20 2.09 -0.27 3.92 2.96 -0.81 0.11 118.68 126.48 3nnk s LEU 92 Ca -0.03 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.31 3nnk s LEU 92 Cb -0.03 -1.42 0.07 0.00 0.50 0.00 0.00 46.19 45.31 3nnk s LEU 92 CO 0.01 0.10 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.41 3nnk s VAL 93 N 0.67 1.85 -0.83 1.68 1.01 0.10 -0.64 120.40 124.23 3nnk s VAL 93 Ca -0.11 -1.59 -0.25 0.00 0.00 0.00 0.00 61.98 60.03 3nnk s VAL 93 Cb -0.16 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 3nnk s VAL 93 CO 0.01 -0.21 1.67 -2.84 0.00 0.00 0.00 175.10 173.74 3nnk s PRO 94 N 1.21 2.96 0.02 2.72 0.02 -1.25 -2.86 135.00 137.82 3nnk s PRO 94 Ca -0.03 -0.28 -0.30 0.00 0.02 0.00 0.00 61.00 60.41 3nnk s PRO 94 Cb -0.19 -4.82 -0.04 0.00 0.02 0.00 0.00 34.50 29.47 3nnk s PRO 94 CO -0.07 -2.70 1.10 0.08 -0.33 0.00 0.00 177.00 175.08 3nnk s VAL 95 N 7.73 4.42 0.00 3.83 1.01 -0.31 -4.79 120.40 132.28 3nnk s VAL 95 Ca 0.57 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.28 3nnk s VAL 95 Cb -0.07 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3nnk s VAL 95 CO 0.05 0.12 0.50 2.22 0.00 0.00 0.00 175.10 177.99 3nnk n PHE 96 N 4.01 0.00 -3.42 5.22 1.16 -1.26 -3.17 117.46 120.01 3nnk n PHE 96 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 3nnk n PHE 96 Cb 0.48 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 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 -0.05 0.99 0.33 4.97 0.00 -1.26 -4.51 105.19 105.65 3nnk n GLY 97 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 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 1.05 0.00 1.61 1.12 -1.95 -2.60 114.38 113.61 3nnk h ARG 98 Ca 0.00 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 3nnk h ARG 98 Cb 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 29.72 3nnk h ARG 98 CO 0.00 0.69 0.00 1.19 -3.11 0.00 0.00 179.97 178.74 3nnk n PHE 99 N -4.54 0.24 -0.10 2.20 3.72 -1.26 -1.72 117.46 116.00 3nnk n PHE 99 Ca 0.11 0.07 -0.10 0.00 -0.05 0.00 0.00 57.45 57.48 3nnk n PHE 99 Cb 0.08 -0.62 0.05 0.00 -0.94 0.00 0.00 39.48 38.05 3nnk n PHE 99 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3nnk h GLY 100 N 4.48 0.91 1.39 1.37 0.00 -1.83 -2.95 103.07 106.44 3nnk h GLY 100 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 47.33 46.39 3nnk h GLY 100 CO 0.00 0.76 -0.18 0.45 0.00 0.00 0.00 176.54 177.56 3nnk h HIS 101 N 0.72 0.80 -0.59 5.60 3.86 -1.32 -2.90 115.15 121.31 3nnk h HIS 101 Ca 0.08 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3nnk h HIS 101 Cb 0.82 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 3nnk h HIS 101 CO 0.05 0.85 0.32 1.25 0.86 0.00 0.00 177.93 181.25 3nnk h LEU 102 N 0.64 0.74 -1.06 2.43 5.85 -1.44 -2.39 115.31 120.08 3nnk h LEU 102 Ca 0.10 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3nnk h LEU 102 Cb 0.66 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3nnk h LEU 102 CO 0.05 0.62 0.63 -0.07 -0.34 0.00 0.00 178.44 179.34 3nnk h LEU 103 N 0.80 1.10 -0.51 2.25 3.38 -1.47 -1.99 115.31 118.87 3nnk h LEU 103 Ca 0.21 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3nnk h LEU 103 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3nnk h LEU 103 CO -0.03 0.80 0.31 0.00 0.09 0.00 0.00 178.44 179.60 3nnk h GLU 105 N 0.61 0.61 -0.45 0.00 4.39 -1.11 -1.41 114.58 117.23 3nnk h GLU 105 Ca 0.21 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3nnk h GLU 105 Cb 0.02 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3nnk h GLU 105 CO -0.09 0.82 0.28 0.82 -1.16 0.00 0.00 179.01 179.68 3nnk h ILE 106 N 0.37 1.08 -0.45 3.13 2.04 -1.32 -0.59 117.51 121.77 3nnk h ILE 106 Ca 0.07 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3nnk h ILE 106 Cb 0.62 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3nnk h ILE 106 CO 0.04 0.10 0.11 0.00 0.00 0.00 0.00 178.15 178.40 3nnk h ALA 107 N 1.18 1.35 -0.56 1.87 0.00 -1.41 -1.08 119.26 120.62 3nnk h ALA 107 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3nnk h ALA 107 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3nnk h ALA 107 CO -0.06 0.47 0.31 -0.09 0.00 0.00 0.00 179.25 179.87 3nnk h ARG 108 N 0.66 0.77 0.00 0.00 2.43 -0.51 -0.50 114.38 117.24 3nnk h ARG 108 Ca 0.15 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3nnk h ARG 108 Cb 0.24 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3nnk h ARG 108 CO -0.00 0.59 -0.11 0.00 -1.51 0.00 0.00 179.97 178.94 3nnk h ARG 109 N 0.75 0.00 0.00 0.20 2.47 -0.73 -1.30 114.38 115.76 3nnk h ARG 109 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3nnk h ARG 109 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3nnk h ARG 109 CO -0.03 0.11 0.00 0.00 0.56 0.00 0.00 179.97 180.61 3nnk n ARG 111 N -1.13 -4.20 -3.94 0.00 1.74 -0.49 -4.17 116.66 104.47 3nnk n ARG 111 Ca 0.19 0.44 -0.31 0.00 -0.77 0.00 0.00 57.85 57.39 3nnk n ARG 111 Cb 0.16 -4.28 -0.04 0.00 -1.02 0.00 0.00 32.46 27.27 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 -3.17 3.93 -0.34 7.54 0.00 -0.24 0.58 121.76 130.06 3nnk s ALA 112 Ca 0.31 -0.86 -0.28 0.00 0.00 0.00 0.00 51.96 51.13 3nnk s ALA 112 Cb -0.14 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3nnk s ALA 112 CO 0.38 0.81 1.02 -2.00 0.00 0.00 0.00 175.76 175.98 3nnk s GLU 113 N -2.44 3.98 -0.25 0.00 2.12 -1.17 -4.47 118.70 116.47 3nnk s GLU 113 Ca 0.33 0.88 -0.09 0.00 0.36 0.00 0.00 54.97 56.44 3nnk s GLU 113 Cb -0.13 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.45 3nnk s GLU 113 CO 0.26 -0.94 0.13 0.08 -0.54 0.00 0.00 175.26 174.26 3nnk s VAL 114 N 3.63 5.03 -0.07 3.70 1.01 -1.26 -1.66 120.40 130.77 3nnk s VAL 114 Ca 0.43 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 3nnk s VAL 114 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3nnk s VAL 114 CO 0.17 0.33 0.08 -1.00 0.00 0.00 0.00 175.10 174.68 3nnk s HIS 115 N 1.29 3.35 0.06 5.22 3.76 0.12 -4.98 115.29 124.11 3nnk s HIS 115 Ca 0.06 0.31 0.05 0.00 -0.15 0.00 0.00 55.06 55.33 3nnk s HIS 115 Cb -0.14 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 3nnk s HIS 115 CO 0.06 0.59 -0.14 0.95 -0.85 0.00 0.00 174.74 175.34 3nnk s THR 116 N -1.05 1.11 0.19 1.30 -4.23 -1.26 -0.72 115.64 110.98 3nnk s THR 116 Ca 0.18 -1.20 0.09 0.00 -1.18 0.00 0.00 61.69 59.57 3nnk s THR 116 Cb -0.12 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 3nnk s THR 116 CO 0.07 -0.15 -0.18 0.27 -0.54 0.00 0.00 174.62 174.10 3nnk s ILE 117 N -1.13 1.88 -0.03 2.99 -4.36 -1.13 -4.97 121.20 114.46 3nnk s ILE 117 Ca -0.01 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 3nnk s ILE 117 Cb -0.09 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.67 3nnk s ILE 117 CO 0.02 -0.39 -0.06 -1.61 0.24 0.00 0.00 174.94 173.14 3nnk s GLU 118 N -3.09 0.72 0.18 0.37 2.02 -1.26 -1.16 118.70 116.47 3nnk s GLU 118 Ca 0.19 -0.18 0.11 0.00 0.02 0.00 0.00 54.97 55.11 3nnk s GLU 118 Cb -0.04 -0.71 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 3nnk s GLU 118 CO 0.08 0.03 -0.20 0.14 0.02 0.00 0.00 175.26 175.33 3nnk s VAL 119 N 0.40 2.60 0.48 2.63 -7.23 -1.19 -5.04 120.40 113.05 3nnk s VAL 119 Ca -0.05 -1.86 -0.22 0.00 -1.81 0.00 0.00 61.98 58.04 3nnk s VAL 119 Cb -0.09 -2.24 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 3nnk s VAL 119 CO 0.00 -0.07 1.13 -2.16 -0.31 0.00 0.00 175.10 173.68 3nnk s PRO 120 N -2.59 3.68 0.08 4.82 0.04 -1.26 -4.67 135.00 135.10 3nnk s PRO 120 Ca 0.21 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 62.58 3nnk s PRO 120 Cb -0.09 -2.25 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 3nnk s PRO 120 CO 0.11 -0.59 1.68 -1.58 0.04 0.00 0.00 177.00 176.66 3nnk s TRP 121 N -1.68 2.38 -0.45 0.56 0.52 -1.26 0.27 118.94 119.28 3nnk s TRP 121 Ca 0.66 0.27 0.03 0.00 0.02 0.00 0.00 56.10 57.09 3nnk s TRP 121 Cb -0.25 -4.00 0.12 0.00 -1.15 0.00 0.00 33.47 28.20 3nnk s TRP 121 CO 0.30 -4.02 0.20 0.20 0.02 0.00 0.00 176.95 173.65 3nnk s GLY 122 N 2.44 2.12 0.27 0.98 0.00 -1.26 -5.00 107.32 106.87 3nnk s GLY 122 Ca 0.75 -2.90 0.00 0.00 0.00 0.00 0.00 44.72 42.57 3nnk s GLY 122 CO 0.33 1.11 0.01 1.18 0.00 0.00 0.00 173.10 175.73 3nnk n GLU 123 N 3.55 1.34 -4.04 2.90 1.02 0.14 -2.66 120.64 122.90 3nnk n GLU 123 Ca 0.05 -1.92 -0.08 0.00 -0.02 0.00 0.00 57.16 55.19 3nnk n GLU 123 Cb 0.35 0.49 -0.10 0.00 -0.02 0.00 0.00 31.44 32.16 3nnk n GLU 123 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3nnk s VAL 124 N -1.92 0.18 0.08 2.62 0.11 -1.26 -4.91 120.40 115.30 3nnk s VAL 124 Ca 0.01 -1.38 -0.26 0.00 -2.93 0.00 0.00 61.98 57.42 3nnk s VAL 124 Cb -0.00 -0.92 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 3nnk s VAL 124 CO 0.01 -0.75 0.80 -0.36 -3.33 0.00 0.00 175.10 171.46 3nnk s PHE 125 N -2.73 3.78 0.36 1.54 0.08 -1.26 -5.04 117.98 114.71 3nnk s PHE 125 Ca -0.04 1.55 -0.23 0.00 0.12 0.00 0.00 56.93 58.33 3nnk s PHE 125 Cb -0.01 -2.85 -0.10 0.00 -0.57 0.00 0.00 43.02 39.49 3nnk s PHE 125 CO -0.06 0.30 0.92 0.99 -0.10 0.00 0.00 175.22 177.28 3nnk s THR 126 N -0.22 4.32 0.40 0.64 2.01 -1.26 -4.73 115.64 116.80 3nnk s THR 126 Ca 0.39 1.62 0.18 0.00 0.31 0.00 0.00 61.69 64.19 3nnk s THR 126 Cb -0.21 -3.82 0.38 0.00 0.01 0.00 0.00 72.50 68.86 3nnk s THR 126 CO 0.25 -0.05 1.79 -0.65 -0.69 0.00 0.00 174.62 175.27 3nnk h PRO 127 N 2.66 0.41 -0.65 4.92 0.11 -1.97 -1.92 132.00 135.55 3nnk h PRO 127 Ca -0.48 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3nnk h PRO 127 Cb 1.19 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3nnk h PRO 127 CO 0.63 0.27 0.09 -0.44 -0.21 0.00 0.00 178.00 178.35 3nnk h ASP 128 N 0.42 1.05 -0.57 -2.05 5.19 -1.99 -2.25 116.42 116.21 3nnk h ASP 128 Ca 0.56 -0.27 0.01 0.00 -0.62 0.00 0.00 57.03 56.71 3nnk h ASP 128 Cb 1.39 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.59 3nnk h ASP 128 CO -0.27 1.05 0.37 1.56 -3.12 0.00 0.00 179.24 178.83 3nnk h GLN 129 N 1.00 0.74 0.00 3.56 4.20 -1.74 -1.53 115.11 121.34 3nnk h GLN 129 Ca 0.20 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.70 3nnk h GLN 129 Cb 0.45 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3nnk h GLN 129 CO 0.01 0.49 -0.76 -0.39 -0.67 0.00 0.00 178.83 177.52 3nnk h VAL 130 N 0.76 1.39 -0.38 -0.54 -1.51 -1.52 -2.78 116.25 111.68 3nnk h VAL 130 Ca 0.21 -2.74 -0.12 0.00 -1.23 0.00 0.00 66.70 62.82 3nnk h VAL 130 Cb -0.08 2.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 3nnk h VAL 130 CO -0.05 0.74 -0.24 -0.08 -1.23 0.00 0.00 177.57 176.71 3nnk h GLU 131 N 0.00 0.83 -0.39 5.19 4.81 -1.21 -0.09 114.58 123.71 3nnk h GLU 131 Ca -0.01 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 3nnk h GLU 131 Cb 1.48 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.83 3nnk h GLU 131 CO 0.10 1.02 0.12 -0.44 -0.73 0.00 0.00 179.01 179.08 3nnk h ASP 132 N 0.63 0.51 -0.27 1.04 3.45 -1.30 0.12 116.42 120.59 3nnk h ASP 132 Ca 0.08 -0.06 -0.10 0.00 0.43 0.00 0.00 57.03 57.37 3nnk h ASP 132 Cb 0.81 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.44 3nnk h ASP 132 CO 0.07 0.50 -0.22 0.00 -1.57 0.00 0.00 179.24 178.01 3nnk h ALA 133 N 1.58 0.39 0.09 3.45 0.00 -1.28 -2.47 119.26 121.02 3nnk h ALA 133 Ca 0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3nnk h ALA 133 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3nnk h ALA 133 CO -0.01 0.35 -0.04 0.28 0.00 0.00 0.00 179.25 179.83 3nnk h VAL 134 N 0.35 0.96 -0.85 0.00 2.07 -0.64 -1.47 116.25 116.68 3nnk h VAL 134 Ca 0.05 -0.18 0.16 0.00 0.82 0.00 0.00 66.70 67.55 3nnk h VAL 134 Cb 0.77 1.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.52 3nnk h VAL 134 CO 0.06 0.04 0.42 0.11 0.02 0.00 0.00 177.57 178.22 3nnk h LYS 135 N -0.20 0.56 0.23 1.57 1.57 -1.05 -0.50 116.57 118.74 3nnk h LYS 135 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3nnk h LYS 135 Cb 0.17 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3nnk h LYS 135 CO 0.02 0.37 -0.11 0.00 -0.57 0.00 0.00 179.45 179.16 3nnk h ARG 136 N 0.58 -0.30 0.00 3.15 3.08 -1.05 -3.38 114.38 116.46 3nnk h ARG 136 Ca 0.47 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3nnk h ARG 136 Cb 0.71 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3nnk h ARG 136 CO -0.39 0.07 -1.83 0.44 -1.07 0.00 0.00 179.97 177.19 3nnk n ILE 137 N -5.04 0.00 -3.22 2.04 -0.00 -0.59 -5.05 119.36 107.51 3nnk n ILE 137 Ca -0.09 -0.42 -0.08 0.00 -0.00 0.00 0.00 62.75 62.17 3nnk n ILE 137 Cb 0.26 0.16 0.00 0.00 -0.00 0.00 0.00 39.64 40.06 3nnk n ILE 137 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3nnk n ARG 138 N -2.13 -1.50 -2.08 6.28 3.00 -0.20 -4.99 116.66 115.05 3nnk n ARG 138 Ca -0.03 1.39 -0.31 0.00 -0.01 0.00 0.00 57.85 58.89 3nnk n ARG 138 Cb 0.52 -4.84 -0.00 0.00 0.00 0.00 0.00 32.46 28.14 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 -3.38 3.70 0.09 5.56 0.04 -1.26 -4.89 135.00 134.86 3nnk s PRO 139 Ca 0.04 0.77 -0.07 0.00 0.04 0.00 0.00 61.00 61.78 3nnk s PRO 139 Cb -0.01 -2.12 -0.21 0.00 0.04 0.00 0.00 34.50 32.21 3nnk s PRO 139 CO 0.79 -0.46 1.20 -0.09 0.04 0.00 0.00 177.00 178.48 3nnk h ARG 140 N 0.08 0.42 -5.55 4.56 2.43 -1.81 -3.43 114.38 111.08 3nnk h ARG 140 Ca -0.45 -0.55 -0.56 0.00 -0.81 0.00 0.00 59.98 57.61 3nnk h ARG 140 Cb 1.19 0.18 -0.30 0.00 -0.42 0.00 0.00 29.97 30.62 3nnk h ARG 140 CO 0.62 1.22 -0.84 -0.51 -1.51 0.00 0.00 179.97 178.95 3nnk s LEU 141 N -7.56 1.99 -0.29 3.80 2.01 -1.24 -0.89 118.68 116.49 3nnk s LEU 141 Ca -0.06 -0.33 -0.10 0.00 0.01 0.00 0.00 54.13 53.64 3nnk s LEU 141 Cb 0.07 -0.94 -0.03 0.00 0.01 0.00 0.00 46.19 45.30 3nnk s LEU 141 CO 0.89 0.19 0.17 -0.22 1.01 0.00 0.00 176.35 178.39 3nnk s LEU 142 N -0.24 4.01 -0.33 1.79 2.96 0.12 -1.93 118.68 125.06 3nnk s LEU 142 Ca 0.03 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3nnk s LEU 142 Cb -0.09 -2.06 0.05 0.00 0.50 0.00 0.00 46.19 44.59 3nnk s LEU 142 CO 0.00 -0.11 0.07 -0.76 -1.32 0.00 0.00 176.35 174.24 3nnk s LEU 143 N 1.70 4.22 0.19 -0.68 1.43 0.18 -1.32 118.68 124.41 3nnk s LEU 143 Ca 0.06 -1.23 0.10 0.00 -1.03 0.00 0.00 54.13 52.04 3nnk s LEU 143 Cb -0.16 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3nnk s LEU 143 CO 0.09 -0.32 -0.21 0.42 0.23 0.00 0.00 176.35 176.56 3nnk s THR 144 N 1.34 2.13 -0.11 5.49 -4.23 -0.53 -3.92 115.64 115.81 3nnk s THR 144 Ca -0.02 -2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 3nnk s THR 144 Cb -0.20 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3nnk s THR 144 CO 0.01 -0.25 0.04 -0.69 -0.54 0.00 0.00 174.62 173.19 3nnk s VAL 145 N -1.96 4.63 -0.16 2.29 1.01 -1.26 -0.67 120.40 124.28 3nnk s VAL 145 Ca 0.20 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.91 3nnk s VAL 145 Cb -0.06 -2.99 -0.12 0.00 0.00 0.00 0.00 36.38 33.21 3nnk s VAL 145 CO 0.09 0.59 0.16 -0.61 0.00 0.00 0.00 175.10 175.33 3nnk h GLN 146 N 5.37 0.00 -4.75 2.72 4.15 -1.84 -3.41 115.11 117.35 3nnk h GLN 146 Ca -0.49 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.25 3nnk h GLN 146 Cb 1.20 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 28.54 3nnk h GLN 146 CO 0.57 0.52 -0.71 0.20 -1.93 0.00 0.00 178.83 177.49 3nnk s GLY 147 N -4.32 1.78 -0.54 2.39 0.00 -1.26 0.62 107.32 105.99 3nnk s GLY 147 Ca -0.18 -1.96 -0.19 0.00 0.00 0.00 0.00 44.72 42.40 3nnk s GLY 147 CO 0.39 0.74 0.64 -0.35 0.00 0.00 0.00 173.10 174.52 3nnk s ASP 148 N 1.24 6.20 0.09 1.64 -1.08 -0.77 -4.48 116.67 119.51 3nnk s ASP 148 Ca -0.02 -1.23 0.10 0.00 -0.52 0.00 0.00 52.55 50.88 3nnk s ASP 148 Cb -0.20 -2.28 0.48 0.00 -1.46 0.00 0.00 42.92 39.45 3nnk s ASP 148 CO -0.03 -0.97 1.32 0.35 0.52 0.00 0.00 175.17 176.35 3nnk n THR 149 N 5.53 1.45 0.63 1.71 -2.24 -1.26 -1.39 114.28 118.71 3nnk n THR 149 Ca -0.09 0.45 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 3nnk n THR 149 Cb 0.44 -1.38 0.39 0.00 -2.10 0.00 0.00 70.33 67.67 3nnk n THR 149 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3nnk n SER 150 N -1.72 0.78 0.00 3.42 3.41 -1.26 -3.97 113.62 114.28 3nnk n SER 150 Ca 0.01 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3nnk n SER 150 Cb 0.07 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 3nnk n SER 150 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3nnk n THR 151 N -2.22 0.00 -1.16 6.66 -2.24 -0.65 -4.92 114.28 109.75 3nnk n THR 151 Ca 0.05 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.44 3nnk n THR 151 Cb 0.43 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.63 0.00 -3.60 4.28 -2.24 -0.49 -4.80 114.28 106.81 3nnk n THR 152 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 3nnk n THR 152 Cb 0.01 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.26 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 -1.99 3.78 -0.27 -0.78 -1.94 -1.20 -0.29 119.30 116.61 3nnk s MET 153 Ca 0.00 0.23 -0.05 0.00 -1.71 0.00 0.00 55.69 54.16 3nnk s MET 153 Cb 0.00 -3.15 0.01 0.00 2.01 0.00 0.00 34.83 33.69 3nnk s MET 153 CO 0.00 0.67 0.04 -1.17 -0.01 0.00 0.00 175.02 174.55 3nnk s LEU 154 N -1.32 3.55 -0.16 -0.03 1.98 0.80 -1.85 118.68 121.66 3nnk s LEU 154 Ca 0.25 -0.64 -0.29 0.00 -2.89 0.00 0.00 54.13 50.55 3nnk s LEU 154 Cb -0.15 -1.82 -0.01 0.00 0.66 0.00 0.00 46.19 44.87 3nnk s LEU 154 CO 0.13 -0.14 1.16 -1.58 -1.89 0.00 0.00 176.35 174.03 3nnk s GLN 155 N 1.47 4.28 0.10 1.98 2.00 0.20 -4.84 119.66 124.86 3nnk s GLN 155 Ca 0.03 1.54 -0.31 0.00 -2.00 0.00 0.00 55.36 54.62 3nnk s GLN 155 Cb -0.16 -3.67 -0.08 0.00 0.80 0.00 0.00 33.01 29.89 3nnk s GLN 155 CO 0.00 -0.60 1.58 -2.14 -0.50 0.00 0.00 175.29 173.63 3nnk s PRO 156 N 3.06 4.22 -0.00 1.67 0.02 -1.26 -4.80 135.00 137.91 3nnk s PRO 156 Ca 0.51 2.28 0.05 0.00 0.02 0.00 0.00 61.00 63.86 3nnk s PRO 156 Cb -0.20 -3.43 -0.06 0.00 0.02 0.00 0.00 34.50 30.83 3nnk s PRO 156 CO 0.13 -0.65 0.17 1.28 -0.33 0.00 0.00 177.00 177.60 3nnk n LEU 157 N 4.94 0.15 -0.30 -5.54 4.32 -1.26 -4.77 117.00 114.54 3nnk n LEU 157 Ca 0.15 -0.35 0.02 0.00 -0.02 0.00 0.00 56.01 55.80 3nnk n LEU 157 Cb 0.40 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.35 3nnk n LEU 157 CO 0.61 0.04 1.17 0.00 -1.22 0.00 0.00 177.39 177.99 3nnk h ALA 158 N 0.59 1.18 0.00 -1.18 0.00 -1.91 -2.70 119.26 115.24 3nnk h ALA 158 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3nnk h ALA 158 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3nnk h ALA 158 CO 0.00 0.20 -1.05 0.93 0.00 0.00 0.00 179.25 179.34 3nnk h GLU 159 N 0.90 0.00 0.00 0.00 5.08 -1.93 -3.36 114.58 115.27 3nnk h GLU 159 Ca 0.38 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 3nnk h GLU 159 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3nnk h GLU 159 CO -0.20 0.32 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.83 3nnk h LEU 160 N 0.00 0.00 -0.44 1.33 4.07 -1.78 -2.93 115.31 115.57 3nnk h LEU 160 Ca -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.86 3nnk h LEU 160 Cb 1.44 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.16 3nnk h LEU 160 CO 0.05 0.23 0.25 1.23 -1.08 0.00 0.00 178.44 179.12 3nnk h GLY 161 N 0.69 0.64 1.95 0.83 0.00 -1.65 -0.94 103.07 104.59 3nnk h GLY 161 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 3nnk h GLY 161 CO 0.03 0.27 -0.34 0.83 0.00 0.00 0.00 176.54 177.33 3nnk h GLU 162 N 0.58 0.06 -0.48 4.80 4.39 -1.77 -2.01 114.58 120.15 3nnk h GLU 162 Ca 0.16 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 3nnk h GLU 162 Cb 0.02 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3nnk h GLU 162 CO -0.03 0.40 0.14 0.82 -1.16 0.00 0.00 179.01 179.17 3nnk h ILE 163 N 0.06 1.23 0.00 3.13 2.04 -1.25 -2.62 117.51 120.09 3nnk h ILE 163 Ca 0.01 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 3nnk h ILE 163 Cb 0.63 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3nnk h ILE 163 CO 0.05 0.28 -0.23 0.00 0.00 0.00 0.00 178.15 178.25 3nnk h ARG 165 N 0.00 0.68 -0.51 0.00 2.43 -1.20 0.25 114.38 116.04 3nnk h ARG 165 Ca -0.00 -0.75 -0.04 0.00 -0.81 0.00 0.00 59.98 58.38 3nnk h ARG 165 Cb 0.76 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 3nnk h ARG 165 CO 0.03 1.32 0.17 0.00 -1.51 0.00 0.00 179.97 179.98 3nnk h ARG 166 N 0.36 0.79 -0.70 0.20 3.08 -1.46 -3.08 114.38 113.56 3nnk h ARG 166 Ca -0.13 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3nnk h ARG 166 Cb 1.69 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.62 3nnk h ARG 166 CO 0.20 0.73 0.00 0.66 -1.07 0.00 0.00 179.97 180.49 3nnk n TYR 167 N -4.50 1.08 -3.56 3.04 4.01 -1.18 -4.98 117.16 111.07 3nnk n TYR 167 Ca 0.02 -0.53 -0.19 0.00 -0.16 0.00 0.00 57.90 57.04 3nnk n TYR 167 Cb 0.19 -0.06 0.06 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.49 -1.83 -4.53 7.72 4.64 -0.57 -5.01 116.55 118.45 3nnk n ASP 168 Ca 0.24 -0.71 -0.33 0.00 -1.38 0.00 0.00 54.79 52.62 3nnk n ASP 168 Cb 0.68 -4.64 -0.12 0.00 -1.04 0.00 0.00 41.12 36.00 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 -3.49 2.84 0.03 -1.67 0.00 0.78 -4.95 121.76 115.29 3nnk s ALA 169 Ca 0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 3nnk s ALA 169 Cb -0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 3nnk s ALA 169 CO 0.77 0.57 1.18 -0.51 0.00 0.00 0.00 175.76 177.76 3nnk s LEU 170 N -0.88 4.35 -0.34 0.00 1.43 -0.07 -4.56 118.68 118.61 3nnk s LEU 170 Ca 0.13 1.93 -0.09 0.00 -1.03 0.00 0.00 54.13 55.06 3nnk s LEU 170 Cb -0.11 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.56 3nnk s LEU 170 CO 0.02 -0.47 0.16 0.12 0.23 0.00 0.00 176.35 176.40 3nnk s PHE 171 N 1.35 3.21 -0.04 0.29 5.36 -1.26 0.13 117.98 127.01 3nnk s PHE 171 Ca 0.57 -0.93 0.05 0.00 -0.96 0.00 0.00 56.93 55.66 3nnk s PHE 171 Cb -0.27 -2.37 -0.02 0.00 -0.34 0.00 0.00 43.02 40.02 3nnk s PHE 171 CO 0.27 -0.60 -0.19 -0.47 -1.46 0.00 0.00 175.22 172.77 3nnk s TYR 172 N 1.54 2.56 0.03 10.12 6.14 -0.43 -0.31 117.35 136.99 3nnk s TYR 172 Ca 0.02 -0.29 0.05 0.00 0.64 0.00 0.00 57.07 57.49 3nnk s TYR 172 Cb -0.18 -1.59 -0.02 0.00 0.42 0.00 0.00 41.96 40.59 3nnk s TYR 172 CO 0.05 0.08 -0.16 -0.08 0.64 0.00 0.00 175.55 176.09 3nnk s THR 173 N -0.64 1.25 -0.73 4.34 -1.32 -0.63 -1.46 115.64 116.45 3nnk s THR 173 Ca 0.10 -0.95 -0.14 0.00 -1.21 0.00 0.00 61.69 59.48 3nnk s THR 173 Cb -0.11 -1.10 0.19 0.00 -1.51 0.00 0.00 72.50 69.98 3nnk s THR 173 CO 0.00 0.13 0.67 -0.62 -2.21 0.00 0.00 174.62 172.59 3nnk s ASP 174 N -0.95 6.54 -0.38 8.08 2.15 0.15 -2.79 116.67 129.47 3nnk s ASP 174 Ca 0.04 -2.39 0.06 0.00 0.43 0.00 0.00 52.55 50.69 3nnk s ASP 174 Cb -0.08 -2.20 0.61 0.00 -0.30 0.00 0.00 42.92 40.95 3nnk s ASP 174 CO 0.01 -0.67 1.74 0.00 -0.17 0.00 0.00 175.17 176.08 3nnk n ALA 175 N 4.40 5.05 -0.20 3.66 0.00 -0.70 -2.86 120.51 129.86 3nnk n ALA 175 Ca 0.04 -2.97 -0.08 0.00 0.00 0.00 0.00 53.44 50.44 3nnk n ALA 175 Cb 0.44 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.76 3nnk n ALA 175 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3nnk h THR 176 N 1.08 1.23 0.00 0.00 1.35 -1.86 0.54 112.91 115.25 3nnk h THR 176 Ca 0.46 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3nnk h THR 176 Cb 2.37 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3nnk h THR 176 CO 0.81 0.29 0.00 0.00 -0.25 0.00 0.00 175.52 176.36 3nnk h ALA 177 N 1.06 1.00 0.00 6.62 0.00 -1.83 -3.37 119.26 122.74 3nnk h ALA 177 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3nnk h ALA 177 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3nnk h ALA 177 CO -0.01 0.00 -1.42 -1.13 0.00 0.00 0.00 179.25 176.69 3nnk n SER 178 N -2.49 3.29 -4.68 0.00 3.41 -1.06 -4.66 113.62 107.43 3nnk n SER 178 Ca 0.05 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.21 3nnk n SER 178 Cb 0.43 0.93 -0.04 0.00 -0.26 0.00 0.00 64.21 65.27 3nnk n SER 178 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3nnk n LEU 179 N -2.06 3.62 0.00 1.04 7.94 0.16 -1.06 117.00 126.63 3nnk n LEU 179 Ca -0.07 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 3nnk n LEU 179 Cb 0.52 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.01 3nnk n LEU 179 CO 0.15 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 3nnk n GLY 180 N 4.10 3.01 0.01 -3.96 0.00 -1.26 -4.41 105.19 102.68 3nnk n GLY 180 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 3nnk n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 181 N -2.00 -0.37 3.12 -0.02 0.00 -0.33 -3.97 105.19 101.61 3nnk n GLY 181 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.17 0.96 0.47 1.61 0.01 -0.22 -4.65 114.94 109.95 3nnk s ASN 182 Ca -0.03 -0.85 -0.24 0.00 -0.71 0.00 0.00 52.86 51.02 3nnk s ASN 182 Cb 0.05 0.09 -0.08 0.00 0.41 0.00 0.00 41.25 41.72 3nnk s ASN 182 CO 0.33 -0.40 1.36 -2.65 -1.51 0.00 0.00 177.10 174.24 3nnk n PRO 183 N 0.47 2.01 -3.19 -0.60 -0.02 -1.26 -4.69 135.00 127.71 3nnk n PRO 183 Ca -0.16 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.05 3nnk n PRO 183 Cb 0.59 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 3nnk n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3nnk s LEU 184 N -2.60 -1.44 -0.81 2.45 2.96 -1.26 -5.02 118.68 112.96 3nnk s LEU 184 Ca 0.64 -0.20 -0.14 0.00 -0.22 0.00 0.00 54.13 54.21 3nnk s LEU 184 Cb -0.45 1.84 0.21 0.00 0.50 0.00 0.00 46.19 48.28 3nnk s LEU 184 CO 0.55 -0.27 0.76 -1.61 -1.32 0.00 0.00 176.35 174.46 3nnk s GLU 185 N 2.50 3.56 0.16 1.98 0.41 -1.26 -4.49 118.70 121.55 3nnk s GLU 185 Ca 0.12 -2.39 -0.16 0.00 -0.41 0.00 0.00 54.97 52.12 3nnk s GLU 185 Cb -0.09 -4.43 0.07 0.00 -1.78 0.00 0.00 34.13 27.90 3nnk s GLU 185 CO -0.21 -1.31 1.73 1.15 -0.49 0.00 0.00 175.26 176.14 3nnk h THR 186 N 4.88 0.84 0.01 3.63 2.02 -1.54 0.23 112.91 122.98 3nnk h THR 186 Ca 0.08 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 3nnk h THR 186 Cb 1.04 0.61 0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3nnk h THR 186 CO 0.78 0.04 -0.33 0.44 0.37 0.00 0.00 175.52 176.82 3nnk h ASP 187 N 0.21 0.27 -0.20 4.18 5.19 -1.83 0.27 116.42 124.51 3nnk h ASP 187 Ca 0.17 -0.81 -0.04 0.00 -0.62 0.00 0.00 57.03 55.74 3nnk h ASP 187 Cb 0.18 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 3nnk h ASP 187 CO -0.21 1.04 0.02 -0.37 -3.12 0.00 0.00 179.24 176.60 3nnk h VAL 188 N -0.47 1.17 -0.06 -1.35 -1.51 -1.81 -1.78 116.25 110.43 3nnk h VAL 188 Ca -0.04 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 3nnk h VAL 188 Cb 1.10 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 3nnk h VAL 188 CO 0.06 0.23 0.00 0.79 -1.23 0.00 0.00 177.57 177.42 3nnk n TRP 189 N -4.32 0.07 -3.27 5.19 8.01 0.79 -4.96 117.44 118.95 3nnk n TRP 189 Ca 0.01 -0.03 -0.18 0.00 -1.31 0.00 0.00 57.50 55.99 3nnk n TRP 189 Cb 0.21 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.57 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 1.16 -0.16 3.79 6.99 0.00 -0.67 -3.81 105.19 112.49 3nnk n GLY 190 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.63 4.28 -0.21 0.99 1.43 0.05 -4.78 118.68 114.82 3nnk s LEU 191 Ca 0.42 1.76 0.08 0.00 -1.03 0.00 0.00 54.13 55.36 3nnk s LEU 191 Cb -0.18 -4.04 -0.21 0.00 0.03 0.00 0.00 46.19 41.79 3nnk s LEU 191 CO 0.52 -0.10 -0.02 0.47 0.23 0.00 0.00 176.35 177.45 3nnk n ASP 192 N 0.41 1.15 -3.76 2.29 8.00 0.57 -4.67 116.55 120.53 3nnk n ASP 192 Ca 0.02 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 3nnk n ASP 192 Cb 0.51 0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 41.61 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 -2.52 -0.35 -0.03 2.24 0.00 -1.05 -0.49 121.76 119.57 3nnk s ALA 193 Ca -0.23 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.43 3nnk s ALA 193 Cb 0.08 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3nnk s ALA 193 CO 0.71 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 176.34 3nnk s VAL 194 N 0.90 0.67 0.14 0.00 1.01 -0.94 -1.60 120.40 120.58 3nnk s VAL 194 Ca -0.07 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.74 3nnk s VAL 194 Cb -0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 3nnk s VAL 194 CO -0.05 0.23 -0.22 -0.94 0.00 0.00 0.00 175.10 174.12 3nnk s SER 195 N 0.44 2.85 0.00 3.32 1.04 -1.12 -1.42 113.70 118.81 3nnk s SER 195 Ca -0.06 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3nnk s SER 195 Cb -0.10 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3nnk s SER 195 CO 0.01 0.07 0.00 0.00 0.98 0.00 0.00 173.24 174.29 3nnk n ALA 196 N 0.73 0.00 -3.27 5.32 0.00 0.17 -1.72 120.51 121.73 3nnk n ALA 196 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 3nnk n ALA 196 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 3nnk n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nnk s GLY 197 N -0.79 0.14 -0.17 0.00 0.00 -1.26 -4.10 107.32 101.13 3nnk s GLY 197 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.21 3nnk s GLY 197 CO 0.00 -0.40 0.15 1.03 0.00 0.00 0.00 173.10 173.88 3nnk n MET 198 N -0.35 0.72 0.00 2.90 0.00 -1.25 -4.64 117.12 114.50 3nnk n MET 198 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.85 3nnk n MET 198 Cb 0.62 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.20 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3nnk n GLN 199 N -3.40 0.44 0.25 0.03 0.00 -1.24 -0.64 117.38 112.81 3nnk n GLN 199 Ca -0.37 0.00 0.15 0.00 0.00 0.00 0.00 57.00 56.78 3nnk n GLN 199 Cb 1.03 -1.27 0.65 0.00 0.00 0.00 0.00 30.24 30.65 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 0.27 -2.90 0.00 4.07 -1.76 -3.29 115.31 111.69 3nnk h LEU 202 Ca 0.08 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.41 3nnk h LEU 202 Cb 1.11 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.77 3nnk h LEU 202 CO -0.00 0.85 -0.03 0.61 -1.08 0.00 0.00 178.44 178.79 3nnk n GLY 203 N 0.62 -0.57 0.00 0.83 0.00 0.19 -4.78 105.19 101.48 3nnk n GLY 203 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.86 0.56 3.88 -0.02 0.00 -1.26 -1.70 105.19 105.79 3nnk n GLY 204 Ca 0.01 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 3.63 0.82 1.61 0.04 -1.26 -3.73 135.00 136.11 3nnk s PRO 205 Ca 0.00 0.02 -0.13 0.00 0.04 0.00 0.00 61.00 60.93 3nnk s PRO 205 Cb 0.00 -3.09 0.09 0.00 0.04 0.00 0.00 34.50 31.54 3nnk s PRO 205 CO 0.00 0.65 1.19 -1.54 0.04 0.00 0.00 177.00 177.34 3nnk s SER 206 N -1.57 3.56 0.00 6.66 1.04 -1.26 -4.37 113.70 117.75 3nnk s SER 206 Ca 0.27 2.30 0.00 0.00 0.48 0.00 0.00 55.95 59.00 3nnk s SER 206 Cb -0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3nnk s SER 206 CO 0.15 -2.68 0.00 0.61 0.98 0.00 0.00 173.24 172.29 3nnk n GLY 207 N 0.34 1.05 3.04 7.32 0.00 -1.26 -5.00 105.19 110.68 3nnk n GLY 207 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.60 0.77 -0.26 2.61 2.01 -0.95 -1.59 115.64 117.63 3nnk s THR 208 Ca 0.00 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3nnk s THR 208 Cb 0.00 -0.66 0.07 0.00 0.01 0.00 0.00 72.50 71.93 3nnk s THR 208 CO 0.00 0.17 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.55 3nnk s SER 209 N -0.35 3.99 0.23 3.53 0.15 0.02 -3.83 113.70 117.44 3nnk s SER 209 Ca 0.03 -1.40 -0.30 0.00 0.70 0.00 0.00 55.95 54.98 3nnk s SER 209 Cb -0.04 -1.17 -0.09 0.00 -1.71 0.00 0.00 66.02 63.01 3nnk s SER 209 CO -0.00 -0.29 1.22 -2.84 1.20 0.00 0.00 173.24 172.52 3nnk s PRO 210 N 1.38 4.48 0.10 5.44 0.02 -1.26 0.15 135.00 145.30 3nnk s PRO 210 Ca -0.00 1.96 0.05 0.00 0.02 0.00 0.00 61.00 63.02 3nnk s PRO 210 Cb -0.19 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.11 3nnk s PRO 210 CO -0.10 -0.08 -0.13 0.96 -0.33 0.00 0.00 177.00 177.32 3nnk s ILE 211 N -0.41 1.13 -0.02 2.83 -4.36 0.11 -0.66 121.20 119.82 3nnk s ILE 211 Ca 0.51 -1.57 0.03 0.00 -0.26 0.00 0.00 60.65 59.37 3nnk s ILE 211 Cb -0.34 -1.33 -0.00 0.00 1.25 0.00 0.00 42.46 42.03 3nnk s ILE 211 CO 0.40 -0.41 -0.10 0.28 0.24 0.00 0.00 174.94 175.35 3nnk s THR 212 N -1.99 0.85 -0.05 8.37 -1.32 -0.51 -0.53 115.64 120.46 3nnk s THR 212 Ca 0.04 -0.44 0.05 0.00 -1.21 0.00 0.00 61.69 60.14 3nnk s THR 212 Cb -0.06 -0.73 -0.00 0.00 -1.51 0.00 0.00 72.50 70.20 3nnk s THR 212 CO 0.02 0.25 -0.20 -0.76 -2.21 0.00 0.00 174.62 171.72 3nnk s LEU 213 N -0.09 1.97 0.82 9.08 1.43 0.37 -2.21 118.68 130.04 3nnk s LEU 213 Ca 0.01 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 3nnk s LEU 213 Cb -0.06 -1.13 0.08 0.00 0.03 0.00 0.00 46.19 45.11 3nnk s LEU 213 CO -0.00 0.18 1.13 -0.94 0.23 0.00 0.00 176.35 176.94 3nnk s SER 214 N 0.02 4.36 0.43 2.29 1.04 0.36 -4.24 113.70 117.96 3nnk s SER 214 Ca -0.05 1.06 0.09 0.00 0.48 0.00 0.00 55.95 57.52 3nnk s SER 214 Cb -0.13 -1.71 0.93 0.00 0.10 0.00 0.00 66.02 65.21 3nnk s SER 214 CO 0.03 -2.02 2.07 0.00 0.98 0.00 0.00 173.24 174.30 3nnk h ALA 215 N -1.13 1.76 -0.37 5.32 0.00 -1.95 -1.88 119.26 121.00 3nnk h ALA 215 Ca -0.48 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 3nnk h ALA 215 Cb 1.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3nnk h ALA 215 CO 0.62 0.23 -0.24 -0.09 0.00 0.00 0.00 179.25 179.77 3nnk h ARG 216 N 0.46 0.82 -0.02 0.00 2.43 -1.94 -3.08 114.38 113.05 3nnk h ARG 216 Ca 0.12 -0.39 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3nnk h ARG 216 Cb -0.05 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3nnk h ARG 216 CO -0.03 1.02 0.01 0.52 -1.51 0.00 0.00 179.97 179.98 3nnk h MET 217 N 0.62 0.04 -0.47 0.20 2.86 -1.68 -2.47 114.93 114.02 3nnk h MET 217 Ca 0.07 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3nnk h MET 217 Cb 0.81 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 3nnk h MET 217 CO 0.07 0.22 0.19 1.05 1.06 0.00 0.00 176.91 179.50 3nnk h GLU 218 N -0.16 0.66 -0.69 1.72 4.11 -1.47 -0.92 114.58 117.84 3nnk h GLU 218 Ca 0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3nnk h GLU 218 Cb 0.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3nnk h GLU 218 CO -0.00 0.55 0.43 1.49 0.07 0.00 0.00 179.01 181.55 3nnk h GLU 219 N 0.66 0.92 -0.44 1.06 4.81 -1.46 0.20 114.58 120.33 3nnk h GLU 219 Ca 0.16 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3nnk h GLU 219 Cb 0.13 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3nnk h GLU 219 CO -0.02 0.63 -0.08 0.00 -0.73 0.00 0.00 179.01 178.81 3nnk h ALA 220 N 1.23 1.03 -0.01 2.92 0.00 -0.83 -2.96 119.26 120.63 3nnk h ALA 220 Ca 0.25 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3nnk h ALA 220 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3nnk h ALA 220 CO -0.05 0.59 -0.84 0.82 0.00 0.00 0.00 179.25 179.77 3nnk h ILE 221 N 0.71 1.46 0.00 0.00 2.04 -0.91 -3.20 117.51 117.61 3nnk h ILE 221 Ca 0.13 -2.48 -0.02 0.00 1.00 0.00 0.00 64.86 63.48 3nnk h ILE 221 Cb 0.55 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 3nnk h ILE 221 CO 0.03 0.73 -0.10 0.03 0.00 0.00 0.00 178.15 178.84 3nnk h ARG 222 N 0.14 0.00 0.00 2.37 -0.00 -0.46 -1.84 114.38 114.59 3nnk h ARG 222 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 3nnk h ARG 222 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.42 3nnk h ARG 222 CO 0.13 0.10 0.00 0.00 0.00 0.00 0.00 179.97 180.20 3nnk h ARG 223 N 0.00 0.00 -0.45 0.04 3.08 -1.51 -2.85 114.38 112.68 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 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3nnk h ARG 223 CO 0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 3nnk n ARG 224 N -2.63 2.40 -1.61 0.04 5.12 -0.69 -0.43 116.66 118.86 3nnk n ARG 224 Ca 0.00 -2.14 -0.53 0.00 -1.93 0.00 0.00 57.85 53.26 3nnk n ARG 224 Cb 0.20 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.95 3nnk n ARG 224 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3nnk n LYS 225 N 1.30 1.15 -3.15 5.56 4.01 -1.08 -4.13 118.16 121.82 3nnk n LYS 225 Ca 0.20 0.42 0.05 0.00 -0.51 0.00 0.00 58.31 58.46 3nnk n LYS 225 Cb 0.55 -2.07 -0.01 0.00 -0.51 0.00 0.00 35.03 32.99 3nnk n LYS 225 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3nnk s VAL 227 N 2.89 5.06 0.21 0.00 1.01 -1.26 -4.98 120.40 123.33 3nnk s VAL 227 Ca 0.13 1.07 -0.32 0.00 0.00 0.00 0.00 61.98 62.87 3nnk s VAL 227 Cb -0.11 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 3nnk s VAL 227 CO -0.19 0.39 1.24 1.21 0.00 0.00 0.00 175.10 177.74 3nnk n GLU 228 N 3.12 1.51 -0.07 2.72 0.00 -1.26 -4.69 120.64 121.97 3nnk n GLU 228 Ca -0.07 0.54 0.05 0.00 0.00 0.00 0.00 57.16 57.67 3nnk n GLU 228 Cb 0.51 -2.08 0.40 0.00 0.00 0.00 0.00 31.44 30.28 3nnk n GLU 228 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3nnk h GLU 229 N 3.51 0.60 0.00 5.31 -0.00 -1.95 0.72 114.58 122.77 3nnk h GLU 229 Ca -0.43 -0.04 -0.07 0.00 -0.00 0.00 0.00 59.36 58.81 3nnk h GLU 229 Cb 1.32 -0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 29.92 3nnk h GLU 229 CO 0.71 0.40 -0.36 0.78 -0.00 0.00 0.00 179.01 180.54 3nnk h GLY 230 N 0.62 0.00 -0.52 1.06 0.00 -2.01 -3.18 103.07 99.03 3nnk h GLY 230 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3nnk h GLY 230 CO -0.05 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.78 3nnk n ILE 231 N -3.63 1.10 -2.73 2.60 -5.35 -0.82 -5.02 119.36 105.50 3nnk n ILE 231 Ca -0.01 -1.10 -0.40 0.00 -0.27 0.00 0.00 62.75 60.97 3nnk n ILE 231 Cb 0.47 0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 38.75 3nnk n ILE 231 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3nnk s ARG 232 N -1.17 4.78 0.18 6.28 3.52 0.18 -4.91 118.95 127.82 3nnk s ARG 232 Ca 0.12 1.48 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 3nnk s ARG 232 Cb 0.07 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 30.14 3nnk s ARG 232 CO 0.06 0.38 0.01 0.25 -0.81 0.00 0.00 175.30 175.19 3nnk n THR 233 N 2.04 0.00 0.40 4.11 -2.24 -1.26 -5.00 114.28 112.32 3nnk n THR 233 Ca -0.00 -0.89 0.13 0.00 -2.27 0.00 0.00 64.05 61.02 3nnk n THR 233 Cb 0.48 0.20 0.51 0.00 -2.10 0.00 0.00 70.33 69.42 3nnk n THR 233 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3nnk h ASP 234 N 0.48 0.00 1.70 3.42 3.32 -2.04 -3.05 116.42 120.25 3nnk h ASP 234 Ca -0.15 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 3nnk h ASP 234 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3nnk h ASP 234 CO 0.25 0.00 -0.30 0.00 -1.72 0.00 0.00 179.24 177.46 3nnk h ALA 235 N 2.24 0.81 -1.86 3.45 0.00 -2.01 -3.45 119.26 118.44 3nnk h ALA 235 Ca 0.00 -0.27 -0.61 0.00 0.00 0.00 0.00 54.91 54.04 3nnk h ALA 235 Cb 0.44 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 3nnk h ALA 235 CO 0.00 0.36 0.56 -1.01 0.00 0.00 0.00 179.25 179.17 3nnk s HIS 236 N -3.07 2.84 -0.00 0.00 3.76 -1.15 -5.02 115.29 112.64 3nnk s HIS 236 Ca 0.05 0.13 0.02 0.00 -0.15 0.00 0.00 55.06 55.11 3nnk s HIS 236 Cb 0.06 -4.02 -0.03 0.00 1.11 0.00 0.00 32.58 29.70 3nnk s HIS 236 CO 0.71 -1.25 -0.02 -0.98 -0.85 0.00 0.00 174.74 172.35 3nnk s ARG 237 N 3.86 2.72 0.55 1.40 1.70 -1.26 -4.91 118.95 123.01 3nnk s ARG 237 Ca 0.33 -0.64 -0.17 0.00 -0.47 0.00 0.00 55.73 54.78 3nnk s ARG 237 Cb -0.12 -2.62 -0.05 0.00 -0.57 0.00 0.00 34.95 31.59 3nnk s ARG 237 CO 0.22 0.62 1.05 -0.51 -1.08 0.00 0.00 175.30 175.60 3nnk s ASP 238 N -1.47 6.01 0.85 -2.89 1.01 -1.26 -4.79 116.67 114.13 3nnk s ASP 238 Ca 0.18 1.85 -0.12 0.00 0.71 0.00 0.00 52.55 55.17 3nnk s ASP 238 Cb -0.11 -2.54 0.10 0.00 1.01 0.00 0.00 42.92 41.38 3nnk s ASP 238 CO 0.09 -1.01 1.13 -0.83 0.21 0.00 0.00 175.17 174.76 3nnk s GLY 239 N -2.51 1.59 0.47 0.21 0.00 -0.06 -4.91 107.32 102.11 3nnk s GLY 239 Ca 0.65 -0.46 0.27 0.00 0.00 0.00 0.00 44.72 45.17 3nnk s GLY 239 CO 0.31 0.04 1.79 1.29 0.00 0.00 0.00 173.10 176.52 3nnk h ASP 240 N -1.26 0.00 -2.19 1.64 2.03 -1.77 -3.44 116.42 111.43 3nnk h ASP 240 Ca -0.48 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.37 3nnk h ASP 240 Cb 1.31 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.83 3nnk h ASP 240 CO 0.62 0.10 -0.25 -1.61 -1.03 0.00 0.00 179.24 177.07 3nnk s GLU 241 N -3.46 3.12 0.81 4.15 2.02 0.43 -5.05 118.70 120.71 3nnk s GLU 241 Ca 0.03 -0.79 -0.12 0.00 0.02 0.00 0.00 54.97 54.10 3nnk s GLU 241 Cb 0.08 -2.73 0.08 0.00 0.10 0.00 0.00 34.13 31.67 3nnk s GLU 241 CO 0.62 -0.04 1.16 -1.83 0.02 0.00 0.00 175.26 175.19 3nnk s GLU 242 N -4.31 1.72 0.77 1.61 -1.05 -1.26 -4.43 118.70 111.75 3nnk s GLU 242 Ca 0.46 1.58 -0.13 0.00 -0.15 0.00 0.00 54.97 56.72 3nnk s GLU 242 Cb -0.10 -1.80 0.06 0.00 -0.44 0.00 0.00 34.13 31.85 3nnk s GLU 242 CO 0.34 -2.11 1.15 0.00 0.95 0.00 0.00 175.26 175.58 3nnk s MET 243 N -4.36 2.04 0.11 -4.83 0.23 -1.26 -4.56 119.30 106.66 3nnk s MET 243 Ca 0.69 1.52 -0.30 0.00 -1.03 0.00 0.00 55.69 56.57 3nnk s MET 243 Cb -0.24 -1.85 -0.06 0.00 -1.53 0.00 0.00 34.83 31.15 3nnk s MET 243 CO 0.52 -1.86 1.06 0.42 -2.03 0.00 0.00 175.02 173.13 3nnk s ILE 244 N -2.39 4.21 -0.39 3.16 1.01 -1.26 -4.95 121.20 120.59 3nnk s ILE 244 Ca 0.68 1.77 -0.04 0.00 0.00 0.00 0.00 60.65 63.07 3nnk s ILE 244 Cb -0.24 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.15 3nnk s ILE 244 CO 0.49 0.24 2.75 -1.22 0.00 0.00 0.00 174.94 177.21 3nnk n TYR 245 N 2.99 1.42 -3.63 3.97 4.01 -1.26 -4.72 117.16 119.93 3nnk n TYR 245 Ca 0.04 -1.90 -0.12 0.00 -0.16 0.00 0.00 57.90 55.77 3nnk n TYR 245 Cb 0.48 -1.34 -0.07 0.00 -0.31 0.00 0.00 39.34 38.10 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk s SER 246 N 0.49 -0.68 -0.10 7.72 0.15 -1.26 -5.07 113.70 114.96 3nnk s SER 246 Ca 0.56 1.27 -0.23 0.00 0.70 0.00 0.00 55.95 58.25 3nnk s SER 246 Cb 0.36 1.29 -0.28 0.00 -1.71 0.00 0.00 66.02 65.67 3nnk s SER 246 CO -0.17 -0.22 0.75 -1.13 1.20 0.00 0.00 173.24 173.68 3nnk h ASN 247 N 5.02 0.27 0.32 5.45 -1.24 -1.98 -3.19 115.58 120.23 3nnk h ASN 247 Ca -0.29 -0.92 -0.13 0.00 0.71 0.00 0.00 56.30 55.67 3nnk h ASN 247 Cb 1.17 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 3nnk h ASN 247 CO 0.08 1.31 -0.52 0.22 -1.29 0.00 0.00 177.43 177.23 3nnk h TYR 248 N -0.61 0.27 -0.19 0.67 3.20 -1.97 -3.10 116.97 115.24 3nnk h TYR 248 Ca -0.14 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.64 3nnk h TYR 248 Cb 1.43 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.65 3nnk h TYR 248 CO 0.21 0.69 0.00 1.19 -1.64 0.00 0.00 178.16 178.61 3nnk n PHE 249 N -3.94 0.23 -1.93 -3.82 3.72 -1.26 -4.85 117.46 105.61 3nnk n PHE 249 Ca -0.02 -0.11 -0.28 0.00 -0.05 0.00 0.00 57.45 56.99 3nnk n PHE 249 Cb 0.55 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.05 3nnk n PHE 249 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3nnk s ASP 250 N -1.73 4.90 0.61 4.37 -1.08 -1.18 -4.64 116.67 117.92 3nnk s ASP 250 Ca 0.34 -0.17 0.37 0.00 -0.52 0.00 0.00 52.55 52.57 3nnk s ASP 250 Cb 0.21 -2.55 1.96 0.00 -1.46 0.00 0.00 42.92 41.08 3nnk s ASP 250 CO 0.30 -2.86 2.24 -0.07 0.52 0.00 0.00 175.17 175.30 3nnk h LEU 251 N 18.46 0.00 -1.01 -1.34 3.38 -1.89 -0.68 115.31 132.24 3nnk h LEU 251 Ca -0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3nnk h LEU 251 Cb 1.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3nnk h LEU 251 CO 1.17 0.03 0.67 1.23 0.09 0.00 0.00 178.44 181.63 3nnk h GLY 252 N 0.46 1.44 1.50 0.83 0.00 -1.86 0.67 103.07 106.10 3nnk h GLY 252 Ca -0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 47.33 46.52 3nnk h GLY 252 CO 0.00 0.49 -1.34 -0.33 0.00 0.00 0.00 176.54 175.36 3nnk h MET 253 N 1.34 0.28 -0.54 4.80 2.86 -1.53 -3.09 114.93 119.05 3nnk h MET 253 Ca 0.38 -0.49 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 3nnk h MET 253 Cb -0.11 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3nnk h MET 253 CO -0.09 1.21 0.20 0.28 1.06 0.00 0.00 176.91 179.56 3nnk h VAL 254 N 0.08 1.23 -0.83 -2.22 2.07 -1.25 -1.08 116.25 114.24 3nnk h VAL 254 Ca -0.17 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.66 3nnk h VAL 254 Cb 2.00 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 3nnk h VAL 254 CO 0.20 0.28 0.54 0.24 0.02 0.00 0.00 177.57 178.85 3nnk h MET 255 N 0.75 0.95 0.00 1.57 2.86 -0.96 -1.00 114.93 119.09 3nnk h MET 255 Ca 0.18 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3nnk h MET 255 Cb 0.24 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 3nnk h MET 255 CO -0.01 0.63 -0.11 -0.44 1.06 0.00 0.00 176.91 178.04 3nnk h ASP 256 N 0.98 0.00 0.28 1.22 3.32 -1.33 -0.96 116.42 119.93 3nnk h ASP 256 Ca 0.34 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.05 3nnk h ASP 256 Cb 0.11 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.69 3nnk h ASP 256 CO -0.11 0.11 -1.52 0.22 -1.72 0.00 0.00 179.24 176.23 3nnk h TYR 257 N 0.00 0.91 0.00 4.55 3.20 -0.32 -1.45 116.97 123.86 3nnk h TYR 257 Ca -0.00 -0.67 -0.01 0.00 3.14 0.00 0.00 58.73 61.19 3nnk h TYR 257 Cb 0.75 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3nnk h TYR 257 CO 0.00 1.56 -0.16 -1.49 -1.64 0.00 0.00 178.16 176.44 3nnk h TRP 258 N 0.14 0.00 -3.05 -3.82 4.06 -1.15 -3.38 115.95 108.74 3nnk h TRP 258 Ca -0.26 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.53 3nnk h TRP 258 Cb 2.15 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 30.36 3nnk h TRP 258 CO 0.12 0.06 0.11 0.41 -3.56 0.00 0.00 178.44 175.58 3nnk n GLY 259 N 1.12 -0.67 0.31 1.49 0.00 -0.37 -4.92 105.19 102.15 3nnk n GLY 259 Ca 0.03 -1.77 0.20 0.00 0.00 0.00 0.00 46.02 44.48 3nnk n GLY 259 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 260 N 0.00 0.00 0.00 1.61 0.13 -1.88 -2.84 132.00 129.02 3nnk h PRO 260 Ca -0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.88 3nnk h PRO 260 Cb 0.41 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 3nnk h PRO 260 CO 0.11 0.01 -0.51 0.93 -0.23 0.00 0.00 178.00 178.31 3nnk h GLU 261 N 0.00 0.00 -6.04 0.86 3.07 -1.91 -3.48 114.58 107.08 3nnk h GLU 261 Ca -0.00 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.43 3nnk h GLU 261 Cb 0.23 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.20 3nnk h GLU 261 CO 0.00 0.51 -0.72 0.54 -1.40 0.00 0.00 179.01 177.94 3nnk n ARG 262 N -3.29 -6.92 -1.67 2.33 5.12 -1.07 -4.91 116.66 106.25 3nnk n ARG 262 Ca 0.01 0.73 -0.44 0.00 -1.93 0.00 0.00 57.85 56.23 3nnk n ARG 262 Cb 0.70 -5.72 -0.04 0.00 -1.16 0.00 0.00 32.46 26.25 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 -4.85 3.92 -4.57 0.55 -0.00 -0.56 -4.85 117.00 106.63 3nnk n LEU 263 Ca 0.01 0.94 -0.33 0.00 -0.00 0.00 0.00 56.01 56.63 3nnk n LEU 263 Cb 0.55 -1.48 -0.04 0.00 -0.00 0.00 0.00 43.42 42.45 3nnk n LEU 263 CO 0.69 0.11 1.61 0.21 -0.00 0.00 0.00 177.39 180.01 3nnk s ASN 264 N 3.96 5.70 -0.14 1.96 3.84 -1.26 -3.90 114.94 125.09 3nnk s ASN 264 Ca 0.89 -1.70 -0.22 0.00 0.21 0.00 0.00 52.86 52.04 3nnk s ASN 264 Cb -0.52 -2.58 -0.25 0.00 -0.55 0.00 0.00 41.25 37.35 3nnk s ASN 264 CO 0.44 -2.34 0.53 -0.74 -2.79 0.00 0.00 177.10 172.20 3nnk h HIS 265 N 9.40 0.17 -2.96 0.43 -0.00 -1.88 -3.48 115.15 116.84 3nnk h HIS 265 Ca 0.26 -0.13 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3nnk h HIS 265 Cb 0.94 -0.01 -0.12 0.00 -0.00 0.00 0.00 27.41 28.22 3nnk h HIS 265 CO 1.28 1.35 0.21 -3.38 -0.00 0.00 0.00 177.93 177.39 3nnk s HIS 266 N -2.36 -0.54 -0.46 5.26 -3.43 -1.26 -5.06 115.29 107.44 3nnk s HIS 266 Ca -0.22 0.36 -0.28 0.00 -0.80 0.00 0.00 55.06 54.12 3nnk s HIS 266 Cb 0.02 0.55 0.01 0.00 -1.43 0.00 0.00 32.58 31.73 3nnk s HIS 266 CO 0.69 -0.84 1.48 0.99 -2.00 0.00 0.00 174.74 175.06 3nnk s THR 267 N -3.64 3.79 0.23 -5.38 2.01 -1.26 -4.97 115.64 106.42 3nnk s THR 267 Ca 0.01 0.76 -0.32 0.00 0.31 0.00 0.00 61.69 62.45 3nnk s THR 267 Cb -0.01 -4.20 -0.12 0.00 0.01 0.00 0.00 72.50 68.18 3nnk s THR 267 CO -0.12 -0.85 1.67 1.21 -0.69 0.00 0.00 174.62 175.84 3nnk n GLU 268 N 8.34 2.68 -1.65 4.92 4.07 -1.26 -4.85 120.64 132.90 3nnk n GLU 268 Ca 0.16 0.96 -0.38 0.00 -0.06 0.00 0.00 57.16 57.85 3nnk n GLU 268 Cb 0.48 -2.78 -0.03 0.00 -0.06 0.00 0.00 31.44 29.05 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 0.80 1.92 0.06 4.31 0.00 -1.26 -4.85 121.76 122.74 3nnk s ALA 269 Ca 0.72 0.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.48 3nnk s ALA 269 Cb -0.52 -4.28 -0.17 0.00 0.00 0.00 0.00 23.12 18.14 3nnk s ALA 269 CO 0.37 -4.05 1.57 1.15 0.00 0.00 0.00 175.76 174.80 3nnk h THR 270 N 7.46 0.75 -0.50 0.00 2.02 -1.96 -0.02 112.91 120.67 3nnk h THR 270 Ca -0.27 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 3nnk h THR 270 Cb 1.25 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3nnk h THR 270 CO 1.13 0.04 0.03 0.74 0.37 0.00 0.00 175.52 177.83 3nnk h THR 271 N -0.48 1.26 -0.30 3.16 2.02 -1.91 -2.46 112.91 114.20 3nnk h THR 271 Ca -0.04 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.06 3nnk h THR 271 Cb 0.36 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3nnk h THR 271 CO 0.06 0.36 -0.04 0.00 0.37 0.00 0.00 175.52 176.28 3nnk h ALA 272 N 0.95 1.38 -0.51 6.16 0.00 -1.93 -2.02 119.26 123.28 3nnk h ALA 272 Ca 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3nnk h ALA 272 Cb 0.48 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3nnk h ALA 272 CO 0.02 0.43 0.13 1.25 0.00 0.00 0.00 179.25 181.08 3nnk h LEU 273 N 0.45 0.78 -0.66 0.00 6.46 -0.81 -0.96 115.31 120.57 3nnk h LEU 273 Ca 0.09 -0.23 0.02 0.00 -0.12 0.00 0.00 57.88 57.64 3nnk h LEU 273 Cb 0.36 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 3nnk h LEU 273 CO 0.01 0.81 0.43 -0.26 -0.62 0.00 0.00 178.44 178.81 3nnk h PHE 274 N 0.71 0.81 -0.14 1.25 0.04 -0.95 0.20 116.94 118.85 3nnk h PHE 274 Ca 0.16 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3nnk h PHE 274 Cb 0.33 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3nnk h PHE 274 CO 0.02 0.49 0.07 0.78 -0.60 0.00 0.00 178.31 179.08 3nnk h GLY 275 N 0.86 0.22 0.84 -1.45 0.00 -1.27 -2.35 103.07 99.92 3nnk h GLY 275 Ca 0.25 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.53 3nnk h GLY 275 CO -0.07 0.10 0.64 0.00 0.00 0.00 0.00 176.54 177.20 3nnk h ALA 276 N 0.96 1.40 -0.19 3.60 0.00 -0.73 -2.09 119.26 122.22 3nnk h ALA 276 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3nnk h ALA 276 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3nnk h ALA 276 CO -0.01 0.48 0.10 -0.09 0.00 0.00 0.00 179.25 179.73 3nnk h ARG 277 N 1.19 0.27 -0.07 0.00 2.43 -0.45 -3.05 114.38 114.69 3nnk h ARG 277 Ca 0.40 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3nnk h ARG 277 Cb 0.09 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3nnk h ARG 277 CO -0.14 0.27 0.04 0.93 -1.51 0.00 0.00 179.97 179.56 3nnk h GLU 278 N 0.19 0.09 -0.62 0.20 4.39 -1.05 -0.69 114.58 117.09 3nnk h GLU 278 Ca 0.07 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.89 3nnk h GLU 278 Cb 0.08 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.61 3nnk h GLU 278 CO -0.01 0.07 -0.01 0.00 -1.16 0.00 0.00 179.01 177.90 3nnk h ALA 280 N 1.57 0.34 -0.91 0.00 0.00 -1.44 -2.10 119.26 116.72 3nnk h ALA 280 Ca 0.32 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3nnk h ALA 280 Cb 0.52 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3nnk h ALA 280 CO -0.54 0.41 0.58 -0.09 0.00 0.00 0.00 179.25 179.61 3nnk h ARG 281 N 0.33 1.22 -0.15 0.00 2.43 -0.19 -1.60 114.38 116.43 3nnk h ARG 281 Ca 0.02 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3nnk h ARG 281 Cb 0.95 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3nnk h ARG 281 CO 0.08 0.83 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.20 3nnk h LEU 282 N 1.25 0.35 -0.99 3.80 3.38 -0.10 -2.06 115.31 120.93 3nnk h LEU 282 Ca 0.33 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3nnk h LEU 282 Cb -0.11 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3nnk h LEU 282 CO -0.07 0.72 0.64 0.40 0.09 0.00 0.00 178.44 180.22 3nnk h ILE 283 N -0.02 1.13 0.00 1.22 2.04 -1.18 -2.18 117.51 118.52 3nnk h ILE 283 Ca 0.03 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3nnk h ILE 283 Cb 0.60 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3nnk h ILE 283 CO 0.03 0.22 -0.29 -0.07 0.00 0.00 0.00 178.15 178.04 3nnk h LEU 284 N 1.21 0.00 -0.39 1.44 3.38 -1.32 -1.98 115.31 117.65 3nnk h LEU 284 Ca 0.41 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.25 3nnk h LEU 284 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3nnk h LEU 284 CO -0.15 0.22 -0.27 1.56 0.09 0.00 0.00 178.44 179.90 3nnk h GLN 285 N 0.00 0.87 0.00 1.13 4.20 -0.84 -3.04 115.11 117.44 3nnk h GLN 285 Ca -0.01 -0.42 -0.13 0.00 0.06 0.00 0.00 58.65 58.16 3nnk h GLN 285 Cb 1.18 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 3nnk h GLN 285 CO 0.03 1.06 -0.62 1.49 -0.67 0.00 0.00 178.83 180.12 3nnk h GLU 286 N 0.68 0.00 0.00 1.46 4.81 -1.43 -3.50 114.58 116.61 3nnk h GLU 286 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3nnk h GLU 286 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 3nnk h GLU 286 CO 0.07 0.62 0.00 0.41 -0.73 0.00 0.00 179.01 179.38 3nnk n GLY 287 N 0.36 0.55 0.16 1.92 0.00 -0.75 -4.62 105.19 102.82 3nnk n GLY 287 Ca -0.01 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 0.45 -0.47 0.99 5.85 -1.85 -0.17 115.31 120.11 3nnk h LEU 288 Ca 0.00 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3nnk h LEU 288 Cb 0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3nnk h LEU 288 CO 0.00 0.55 0.25 0.44 -0.34 0.00 0.00 178.44 179.34 3nnk h ASP 289 N 0.32 0.37 -0.73 1.25 3.45 -1.92 0.05 116.42 119.21 3nnk h ASP 289 Ca 0.09 0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.52 3nnk h ASP 289 Cb 0.28 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 3nnk h ASP 289 CO -0.00 0.26 0.23 1.88 -1.57 0.00 0.00 179.24 180.04 3nnk h TYR 290 N 0.49 1.16 -0.59 4.55 0.05 -1.79 -0.93 116.97 119.92 3nnk h TYR 290 Ca 0.20 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.88 3nnk h TYR 290 Cb 0.09 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 3nnk h TYR 290 CO -0.09 0.92 0.39 0.78 -1.05 0.00 0.00 178.16 179.10 3nnk h GLY 291 N 1.07 0.83 0.72 3.88 0.00 -0.50 -1.46 103.07 107.61 3nnk h GLY 291 Ca 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3nnk h GLY 291 CO -0.01 0.30 -0.03 -2.22 0.00 0.00 0.00 176.54 174.58 3nnk h ILE 292 N 0.79 1.29 -0.91 2.60 2.04 -0.84 -2.56 117.51 119.92 3nnk h ILE 292 Ca 0.22 -0.96 0.13 0.00 1.00 0.00 0.00 64.86 65.25 3nnk h ILE 292 Cb -0.09 1.72 -0.09 0.00 -0.74 0.00 0.00 36.82 37.62 3nnk h ILE 292 CO -0.05 0.27 0.52 0.00 0.00 0.00 0.00 178.15 178.90 3nnk h ALA 293 N 0.68 1.37 -0.39 1.87 0.00 -1.07 -0.81 119.26 120.92 3nnk h ALA 293 Ca 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 293 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3nnk h ALA 293 CO 0.01 0.05 0.17 -0.09 0.00 0.00 0.00 179.25 179.40 3nnk h ARG 294 N 0.79 0.57 -0.69 0.00 2.43 -1.23 -1.19 114.38 115.06 3nnk h ARG 294 Ca 0.47 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.57 3nnk h ARG 294 Cb 0.57 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 3nnk h ARG 294 CO -0.31 0.52 0.45 0.45 -1.51 0.00 0.00 179.97 179.57 3nnk h HIS 295 N 0.48 0.82 0.09 2.20 3.86 -0.85 -2.37 115.15 119.39 3nnk h HIS 295 Ca 0.13 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3nnk h HIS 295 Cb 0.15 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3nnk h HIS 295 CO -0.01 0.50 -0.04 -0.22 0.86 0.00 0.00 177.93 179.02 3nnk h LYS 296 N 0.87 -0.12 -0.14 2.45 3.64 -0.91 -2.77 116.57 119.59 3nnk h LYS 296 Ca 0.26 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 3nnk h LYS 296 Cb -0.01 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 3nnk h LYS 296 CO -0.07 0.20 -0.18 1.25 -2.27 0.00 0.00 179.45 178.38 3nnk h LEU 297 N -0.44 -0.56 -0.64 5.20 5.85 -0.87 0.55 115.31 124.40 3nnk h LEU 297 Ca -0.01 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 3nnk h LEU 297 Cb 0.37 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3nnk h LEU 297 CO 0.02 -0.23 -0.62 0.45 -0.34 0.00 0.00 178.44 177.72 3nnk h HIS 298 N -0.22 0.00 -0.17 1.25 3.86 -1.55 -1.82 115.15 116.49 3nnk h HIS 298 Ca 0.10 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3nnk h HIS 298 Cb 0.37 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 3nnk h HIS 298 CO -0.30 0.62 -0.08 0.78 0.86 0.00 0.00 177.93 179.81 3nnk h GLY 299 N 2.15 0.39 1.01 2.45 0.00 -1.20 -2.50 103.07 105.38 3nnk h GLY 299 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3nnk h GLY 299 CO 0.08 0.32 0.47 -0.55 0.00 0.00 0.00 176.54 176.87 3nnk h ASP 300 N 0.05 0.99 -0.57 0.19 3.32 -0.80 -1.26 116.42 118.34 3nnk h ASP 300 Ca 0.04 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3nnk h ASP 300 Cb 0.56 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3nnk h ASP 300 CO 0.03 0.78 0.17 0.00 -1.72 0.00 0.00 179.24 178.49 3nnk h ALA 301 N 1.25 1.14 -0.13 3.45 0.00 -1.36 -0.90 119.26 122.71 3nnk h ALA 301 Ca 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3nnk h ALA 301 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3nnk h ALA 301 CO -0.05 0.59 0.04 1.25 0.00 0.00 0.00 179.25 181.07 3nnk h LEU 302 N 0.91 0.18 0.21 0.00 5.85 -1.11 -1.06 115.31 120.30 3nnk h LEU 302 Ca 0.20 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3nnk h LEU 302 Cb 0.30 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3nnk h LEU 302 CO -0.00 0.34 -0.44 0.58 -0.34 0.00 0.00 178.44 178.58 3nnk h VAL 303 N 0.02 0.13 -0.10 1.05 2.07 -0.91 0.35 116.25 118.86 3nnk h VAL 303 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3nnk h VAL 303 Cb 0.22 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3nnk h VAL 303 CO -0.00 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.77 3nnk h LYS 304 N -0.73 0.07 -0.16 1.57 1.57 -1.20 0.93 116.57 118.62 3nnk h LYS 304 Ca 0.00 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 3nnk h LYS 304 Cb 0.72 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.02 3nnk h LYS 304 CO -0.20 0.05 -0.74 0.78 -0.57 0.00 0.00 179.45 178.78 3nnk h GLY 305 N 0.08 0.82 0.95 3.86 0.00 -0.59 -2.72 103.07 105.47 3nnk h GLY 305 Ca 0.04 -1.12 -0.09 0.00 0.00 0.00 0.00 47.33 46.16 3nnk h GLY 305 CO -0.01 1.00 -0.15 -2.22 0.00 0.00 0.00 176.54 175.17 3nnk h ILE 306 N 0.52 1.29 -0.66 2.60 1.08 0.84 -2.73 117.51 120.44 3nnk h ILE 306 Ca -0.04 -1.25 -0.07 0.00 -0.39 0.00 0.00 64.86 63.11 3nnk h ILE 306 Cb 1.35 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.47 3nnk h ILE 306 CO 0.15 0.41 0.15 1.56 -0.69 0.00 0.00 178.15 179.72 3nnk h GLN 307 N 0.46 1.06 0.00 2.37 4.20 -0.95 -2.66 115.11 119.59 3nnk h GLN 307 Ca 0.08 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3nnk h GLN 307 Cb 0.68 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3nnk h GLN 307 CO 0.05 0.94 0.00 0.00 -0.67 0.00 0.00 178.83 179.15 3nnk n ALA 308 N -2.46 1.97 0.44 3.87 0.00 -1.02 -2.25 120.51 121.06 3nnk n ALA 308 Ca 0.05 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.64 3nnk n ALA 308 Cb 0.26 -1.42 0.36 0.00 0.00 0.00 0.00 19.45 18.65 3nnk n ALA 308 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3nnk h MET 309 N 0.00 0.00 0.00 0.00 -1.53 -1.16 -3.36 114.93 108.89 3nnk h MET 309 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3nnk h MET 309 Cb 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.58 3nnk h MET 309 CO 0.00 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.46 3nnk n GLY 310 N 0.98 0.96 3.82 1.39 0.00 -0.95 -4.71 105.19 106.68 3nnk n GLY 310 Ca 0.04 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 4.31 0.39 0.99 1.43 -1.10 -5.06 118.68 119.65 3nnk s LEU 311 Ca 0.00 0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 53.32 3nnk s LEU 311 Cb 0.00 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 3nnk s LEU 311 CO 0.00 0.32 0.83 -1.83 0.23 0.00 0.00 176.35 175.90 3nnk s GLU 312 N -0.51 4.02 -0.13 1.70 -1.05 -1.26 -4.04 118.70 117.43 3nnk s GLU 312 Ca 0.12 0.79 -0.02 0.00 -0.15 0.00 0.00 54.97 55.71 3nnk s GLU 312 Cb -0.12 -2.32 -0.03 0.00 -0.44 0.00 0.00 34.13 31.22 3nnk s GLU 312 CO 0.02 0.03 -0.05 0.95 0.95 0.00 0.00 175.26 177.15 3nnk s THR 313 N -2.17 3.77 0.42 1.83 -4.23 -1.26 -1.64 115.64 112.36 3nnk s THR 313 Ca 0.56 -0.41 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 3nnk s THR 313 Cb -0.10 -2.62 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 3nnk s THR 313 CO 0.20 0.52 1.02 0.12 -0.54 0.00 0.00 174.62 175.94 3nnk s PHE 314 N 0.10 3.25 0.00 3.99 5.36 -0.50 -4.95 117.98 125.23 3nnk s PHE 314 Ca -0.02 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 3nnk s PHE 314 Cb -0.14 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 3nnk s PHE 314 CO 0.03 -0.50 0.00 0.41 -1.46 0.00 0.00 175.22 173.70 3nnk n GLY 315 N 0.02 -0.45 3.62 13.12 0.00 -1.26 -4.56 105.19 115.67 3nnk n GLY 315 Ca 0.06 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.70 6.67 0.39 1.61 2.15 -1.09 -4.93 116.67 118.77 3nnk s ASP 316 Ca 0.00 0.95 0.17 0.00 0.43 0.00 0.00 52.55 54.10 3nnk s ASP 316 Cb 0.00 -2.54 0.80 0.00 -0.30 0.00 0.00 42.92 40.88 3nnk s ASP 316 CO 0.00 -1.13 1.82 -0.07 -0.17 0.00 0.00 175.17 175.62 3nnk h LEU 317 N 10.98 0.00 -1.66 -1.34 3.38 -1.93 -2.92 115.31 121.82 3nnk h LEU 317 Ca -0.24 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3nnk h LEU 317 Cb 1.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 3nnk h LEU 317 CO 1.06 0.35 0.35 0.11 0.09 0.00 0.00 178.44 180.41 3nnk h LYS 318 N 0.00 0.40 -0.16 1.13 1.57 -2.02 -2.94 116.57 114.55 3nnk h LYS 318 Ca -0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3nnk h LYS 318 Cb 0.72 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3nnk h LYS 318 CO 0.05 0.26 -0.00 0.72 -0.57 0.00 0.00 179.45 179.91 3nnk n HIS 319 N -4.47 0.58 -2.25 -1.35 8.25 -1.11 -5.04 115.22 109.84 3nnk n HIS 319 Ca 0.08 -0.94 -0.40 0.00 -0.26 0.00 0.00 57.72 56.20 3nnk n HIS 319 Cb 0.30 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3nnk n HIS 319 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3nnk s LYS 320 N -2.86 4.26 0.35 -0.41 2.20 -1.11 -0.14 119.74 122.03 3nnk s LYS 320 Ca 0.38 1.98 -0.29 0.00 -0.36 0.00 0.00 55.97 57.69 3nnk s LYS 320 Cb 0.32 -2.91 -0.11 0.00 -1.51 0.00 0.00 37.83 33.62 3nnk s LYS 320 CO 0.06 -0.19 1.53 -1.33 -0.36 0.00 0.00 175.35 175.06 3nnk n MET 321 N 0.53 2.71 0.13 4.03 2.81 0.60 -4.71 117.12 123.22 3nnk n MET 321 Ca 0.02 0.95 0.13 0.00 -1.81 0.00 0.00 57.70 56.99 3nnk n MET 321 Cb 0.44 -2.71 0.65 0.00 -0.71 0.00 0.00 33.22 30.89 3nnk n MET 321 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3nnk h ASN 322 N 3.53 0.03 -0.02 7.83 2.35 -1.88 -3.19 115.58 124.24 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 1.23 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3nnk h ASN 322 CO 0.69 0.02 -0.21 -0.46 -1.65 0.00 0.00 177.43 175.82 3nnk n ASN 323 N -4.47 2.30 -3.95 5.81 6.94 -1.26 -4.10 115.26 116.54 3nnk n ASN 323 Ca 0.03 -1.65 -0.12 0.00 -0.02 0.00 0.00 54.58 52.83 3nnk n ASN 323 Cb 0.32 0.24 -0.13 0.00 -2.36 0.00 0.00 39.78 37.85 3nnk n ASN 323 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3nnk s VAL 324 N -1.98 0.17 -0.00 3.53 1.01 -1.21 -0.20 120.40 121.73 3nnk s VAL 324 Ca 0.20 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3nnk s VAL 324 Cb 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.32 3nnk s VAL 324 CO 0.38 -0.20 -0.04 -0.22 0.00 0.00 0.00 175.10 175.02 3nnk s LEU 325 N -0.71 2.02 -0.29 3.92 0.20 -0.01 -4.44 118.68 119.37 3nnk s LEU 325 Ca -0.06 -0.09 -0.11 0.00 0.69 0.00 0.00 54.13 54.56 3nnk s LEU 325 Cb -0.05 -0.18 -0.04 0.00 -0.43 0.00 0.00 46.19 45.49 3nnk s LEU 325 CO -0.00 0.03 0.18 -0.83 -0.29 0.00 0.00 176.35 175.44 3nnk s GLY 326 N -0.16 1.91 -0.18 7.98 0.00 -1.26 -0.46 107.32 115.17 3nnk s GLY 326 Ca 0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 44.72 43.53 3nnk s GLY 326 CO -0.00 0.66 -0.03 0.14 0.00 0.00 0.00 173.10 173.87 3nnk s VAL 327 N 1.73 3.84 0.03 1.40 1.01 0.79 -1.41 120.40 127.80 3nnk s VAL 327 Ca 0.07 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 3nnk s VAL 327 Cb -0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3nnk s VAL 327 CO 0.10 0.46 0.90 -0.69 0.00 0.00 0.00 175.10 175.88 3nnk s VAL 328 N 0.68 4.78 -0.14 2.92 1.01 -0.65 -0.18 120.40 128.81 3nnk s VAL 328 Ca -0.02 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.58 3nnk s VAL 328 Cb -0.14 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 3nnk s VAL 328 CO 0.02 0.24 1.23 -0.63 0.00 0.00 0.00 175.10 175.96 3nnk s ILE 329 N 0.56 4.31 -0.53 2.22 1.01 -0.27 -4.58 121.20 123.92 3nnk s ILE 329 Ca 0.47 1.60 0.03 0.00 0.00 0.00 0.00 60.65 62.74 3nnk s ILE 329 Cb -0.21 -4.03 0.20 0.00 0.01 0.00 0.00 42.46 38.43 3nnk s ILE 329 CO 0.26 -0.10 0.99 -0.81 0.00 0.00 0.00 174.94 175.29 3nnk n PRO 330 N 6.17 1.74 -1.03 2.79 -0.05 -1.26 -4.95 135.00 138.41 3nnk n PRO 330 Ca 0.13 -0.80 0.00 0.00 -0.05 0.00 0.00 63.50 62.78 3nnk n PRO 330 Cb 0.45 -1.54 0.00 0.00 -0.05 0.00 0.00 33.50 32.36 3nnk n PRO 330 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3nnk n GLN 331 N 0.13 -2.95 0.00 0.54 0.00 -1.26 -4.79 117.38 109.04 3nnk n GLN 331 Ca 0.11 2.20 0.00 0.00 0.00 0.00 0.00 57.00 59.31 3nnk n GLN 331 Cb 0.62 -2.48 0.00 0.00 0.00 0.00 0.00 30.24 28.38 3nnk n GLN 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3nnk n GLY 332 N -0.94 2.20 3.75 2.61 0.00 -1.26 -4.97 105.19 106.57 3nnk n GLY 332 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nnk s ILE 333 N 0.00 3.54 -0.11 -0.61 -5.25 -1.26 -5.03 121.20 112.47 3nnk s ILE 333 Ca 0.00 1.40 -0.16 0.00 -0.99 0.00 0.00 60.65 60.90 3nnk s ILE 333 Cb 0.00 -3.89 -0.05 0.00 2.95 0.00 0.00 42.46 41.47 3nnk s ILE 333 CO 0.00 0.27 0.39 0.21 -1.79 0.00 0.00 174.94 174.02 3nnk s ASN 334 N -0.30 6.61 0.12 4.36 3.84 -1.26 -4.75 114.94 123.56 3nnk s ASN 334 Ca 0.49 0.72 -0.14 0.00 0.21 0.00 0.00 52.86 54.15 3nnk s ASN 334 Cb -0.32 -2.24 -0.04 0.00 -0.55 0.00 0.00 41.25 38.10 3nnk s ASN 334 CO 0.39 0.10 1.50 1.23 -2.79 0.00 0.00 177.10 177.52 3nnk h GLY 335 N 6.33 0.85 1.96 1.21 0.00 -1.96 -2.04 103.07 109.41 3nnk h GLY 335 Ca -0.43 -0.77 -0.13 0.00 0.00 0.00 0.00 47.33 46.00 3nnk h GLY 335 CO 0.73 0.70 -0.61 1.29 0.00 0.00 0.00 176.54 178.65 3nnk h ASP 336 N 0.58 0.05 -0.03 0.19 3.04 -1.96 -2.21 116.42 116.08 3nnk h ASP 336 Ca 0.08 -0.03 -0.16 0.00 -3.24 0.00 0.00 57.03 53.68 3nnk h ASP 336 Cb 0.73 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 39.00 3nnk h ASP 336 CO 0.05 0.65 -0.52 -0.61 -2.04 0.00 0.00 179.24 176.77 3nnk h GLN 337 N 0.03 0.60 -0.33 4.15 4.15 -1.96 -1.10 115.11 120.65 3nnk h GLN 337 Ca -0.01 -0.37 -0.18 0.00 0.77 0.00 0.00 58.65 58.87 3nnk h GLN 337 Cb 1.08 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 3nnk h GLN 337 CO 0.08 0.98 -0.48 0.00 -1.93 0.00 0.00 178.83 177.48 3nnk h ALA 338 N 0.95 0.51 -0.58 3.38 0.00 -1.30 -2.54 119.26 119.68 3nnk h ALA 338 Ca 0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3nnk h ALA 338 Cb 1.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3nnk h ALA 338 CO 0.10 0.68 0.19 0.00 0.00 0.00 0.00 179.25 180.22 3nnk h ARG 339 N 0.71 0.90 -0.60 0.00 3.08 -1.34 -0.34 114.38 116.78 3nnk h ARG 339 Ca 0.03 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 3nnk h ARG 339 Cb 1.08 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 3nnk h ARG 339 CO 0.11 0.80 0.19 -0.22 -1.07 0.00 0.00 179.97 179.78 3nnk h LYS 340 N 0.82 0.94 -0.28 0.04 3.64 -1.21 -1.54 116.57 118.97 3nnk h LYS 340 Ca 0.19 -0.20 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 3nnk h LYS 340 Cb 0.27 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3nnk h LYS 340 CO -0.01 0.83 -0.57 -0.07 -2.27 0.00 0.00 179.45 177.37 3nnk h LEU 341 N 0.86 0.99 -1.17 5.20 3.38 -1.35 0.14 115.31 123.35 3nnk h LEU 341 Ca 0.19 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3nnk h LEU 341 Cb 0.29 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3nnk h LEU 341 CO -0.01 1.34 0.57 0.24 0.09 0.00 0.00 178.44 180.67 3nnk h MET 342 N 0.67 1.05 0.00 1.13 2.86 -0.98 -1.81 114.93 117.85 3nnk h MET 342 Ca 0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3nnk h MET 342 Cb 1.18 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 3nnk h MET 342 CO 0.13 0.69 -0.15 1.25 1.06 0.00 0.00 176.91 179.90 3nnk h LEU 343 N 1.08 0.00 -0.88 1.22 5.85 -0.97 0.19 115.31 121.79 3nnk h LEU 343 Ca 0.34 -0.41 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 3nnk h LEU 343 Cb 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3nnk h LEU 343 CO -0.10 0.79 -0.35 -0.33 -0.34 0.00 0.00 178.44 178.11 3nnk h GLU 344 N -1.00 0.40 0.00 1.25 5.08 -0.80 -1.23 114.58 118.28 3nnk h GLU 344 Ca -0.03 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 57.99 3nnk h GLU 344 Cb 0.52 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3nnk h GLU 344 CO -0.02 0.70 -1.99 -0.25 -1.00 0.00 0.00 179.01 176.46 3nnk n ASP 345 N -4.06 0.93 -0.03 1.42 9.92 -0.68 -4.55 116.55 119.49 3nnk n ASP 345 Ca -0.01 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.27 3nnk n ASP 345 Cb 0.46 1.33 -0.01 0.00 -0.64 0.00 0.00 41.12 42.25 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3nnk n PHE 346 N -2.38 0.00 -2.39 1.24 3.72 -1.14 -5.01 117.46 111.50 3nnk n PHE 346 Ca -0.16 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.07 3nnk n PHE 346 Cb 0.77 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.31 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 0.92 -0.34 3.20 1.37 0.00 -0.46 -4.89 105.19 104.99 3nnk n GLY 347 Ca 0.01 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.89 2.27 -0.32 -0.61 1.01 0.03 -0.63 121.20 120.06 3nnk s ILE 348 Ca 0.03 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 3nnk s ILE 348 Cb -0.01 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 3nnk s ILE 348 CO 0.03 0.54 0.56 -0.70 0.00 0.00 0.00 174.94 175.37 3nnk s GLU 349 N 0.84 3.78 0.02 2.79 2.12 -0.05 -2.51 118.70 125.68 3nnk s GLU 349 Ca -0.06 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.34 3nnk s GLU 349 Cb -0.15 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 3nnk s GLU 349 CO -0.02 -0.59 0.07 0.96 -0.54 0.00 0.00 175.26 175.15 3nnk s ILE 350 N 2.47 4.62 0.36 -3.70 -4.36 -1.26 -1.13 121.20 118.20 3nnk s ILE 350 Ca 0.21 -0.53 -0.26 0.00 -0.26 0.00 0.00 60.65 59.82 3nnk s ILE 350 Cb -0.15 -3.14 -0.09 0.00 1.25 0.00 0.00 42.46 40.33 3nnk s ILE 350 CO 0.12 0.29 1.03 -0.83 0.24 0.00 0.00 174.94 175.79 3nnk s GLY 351 N -1.90 2.81 0.59 6.27 0.00 -0.62 -4.82 107.32 109.65 3nnk s GLY 351 Ca 0.24 0.69 -0.02 0.00 0.00 0.00 0.00 44.72 45.63 3nnk s GLY 351 CO 0.16 1.15 0.85 -1.08 0.00 0.00 0.00 173.10 174.18 3nnk s THR 352 N -1.56 2.74 0.25 0.90 -1.32 -1.26 -1.59 115.64 113.80 3nnk s THR 352 Ca 0.53 -0.47 0.08 0.00 -1.21 0.00 0.00 61.69 60.62 3nnk s THR 352 Cb -0.23 -3.08 -0.04 0.00 -1.51 0.00 0.00 72.50 67.64 3nnk s THR 352 CO 0.29 -0.07 0.13 -0.44 -2.21 0.00 0.00 174.62 172.32 3nnk s SER 353 N -4.43 5.19 0.23 8.08 0.01 -1.17 -4.53 113.70 117.08 3nnk s SER 353 Ca 0.57 -0.37 0.11 0.00 1.31 0.00 0.00 55.95 57.56 3nnk s SER 353 Cb -0.10 -1.22 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 3nnk s SER 353 CO 0.41 -0.02 -0.20 -0.36 0.41 0.00 0.00 173.24 173.48 3nnk s PHE 354 N -2.17 2.11 0.00 2.43 0.08 -1.26 -4.10 117.98 115.08 3nnk s PHE 354 Ca 0.32 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.97 3nnk s PHE 354 Cb -0.08 -0.98 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 3nnk s PHE 354 CO 0.23 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.30 3nnk n GLY 355 N -0.20 3.23 0.29 4.36 0.00 -1.26 -3.49 105.19 108.12 3nnk n GLY 355 Ca -0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 3nnk n GLY 355 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 356 N 0.00 0.94 -0.01 1.61 0.13 -2.02 -3.08 132.00 129.57 3nnk h PRO 356 Ca 0.00 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3nnk h PRO 356 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3nnk h PRO 356 CO 0.00 0.99 -0.05 1.28 -0.23 0.00 0.00 178.00 179.98 3nnk n LEU 357 N -4.16 1.13 -4.68 1.56 4.77 -1.23 -4.87 117.00 109.52 3nnk n LEU 357 Ca 0.02 -0.35 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 3nnk n LEU 357 Cb 0.38 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3nnk n LEU 357 CO 0.44 0.19 1.35 -2.28 -1.33 0.00 0.00 177.39 175.77 3nnk s HIS 358 N -2.13 2.29 0.00 -1.77 2.46 -1.17 -1.41 115.29 113.56 3nnk s HIS 358 Ca 0.36 0.24 0.00 0.00 0.47 0.00 0.00 55.06 56.14 3nnk s HIS 358 Cb 0.21 -3.98 0.00 0.00 -0.13 0.00 0.00 32.58 28.67 3nnk s HIS 358 CO 0.38 -4.00 0.00 0.41 -2.47 0.00 0.00 174.74 169.06 3nnk n GLY 359 N 4.05 1.16 0.05 1.59 0.00 -1.26 -4.86 105.19 105.92 3nnk n GLY 359 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 1.47 -4.26 1.61 4.76 -0.50 -4.80 118.16 114.44 3nnk n LYS 360 Ca 0.00 0.03 -0.18 0.00 -2.87 0.00 0.00 58.31 55.29 3nnk n LYS 360 Cb 0.00 -1.24 -0.15 0.00 -1.84 0.00 0.00 35.03 31.80 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 -2.23 0.59 0.01 -0.18 1.01 -0.91 -1.11 120.40 117.58 3nnk s VAL 361 Ca -0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 3nnk s VAL 361 Cb 0.03 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 3nnk s VAL 361 CO 0.33 0.19 0.25 0.26 0.00 0.00 0.00 175.10 176.13 3nnk s TRP 362 N 0.16 3.57 -0.36 5.22 0.51 0.74 -3.06 118.94 125.72 3nnk s TRP 362 Ca -0.02 0.52 -0.03 0.00 -2.12 0.00 0.00 56.10 54.45 3nnk s TRP 362 Cb -0.07 -1.95 0.08 0.00 -0.81 0.00 0.00 33.47 30.72 3nnk s TRP 362 CO -0.00 0.61 0.12 1.03 -0.51 0.00 0.00 176.95 178.20 3nnk s ARG 363 N -1.85 2.29 -0.27 4.98 0.52 -0.62 -0.15 118.95 123.85 3nnk s ARG 363 Ca 0.28 -1.50 -0.10 0.00 -0.52 0.00 0.00 55.73 53.89 3nnk s ARG 363 Cb -0.13 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 3nnk s ARG 363 CO 0.17 -0.84 0.17 0.42 0.02 0.00 0.00 175.30 175.24 3nnk s ILE 364 N 1.24 5.15 0.00 1.52 1.01 0.40 -1.59 121.20 128.93 3nnk s ILE 364 Ca 0.02 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.79 3nnk s ILE 364 Cb -0.21 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3nnk s ILE 364 CO -0.02 0.27 0.03 -0.83 0.00 0.00 0.00 174.94 174.40 3nnk s GLY 365 N 1.68 1.93 -0.53 6.18 0.00 0.16 -0.83 107.32 115.90 3nnk s GLY 365 Ca 0.07 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.91 3nnk s GLY 365 CO 0.09 -0.81 0.47 -1.30 0.00 0.00 0.00 173.10 171.55 3nnk n THR 366 N 1.27 0.18 -4.42 0.90 -2.24 0.72 -4.52 114.28 106.16 3nnk n THR 366 Ca -0.14 -4.18 -0.27 0.00 -2.27 0.00 0.00 64.05 57.19 3nnk n THR 366 Cb 0.53 -1.92 -0.12 0.00 -2.10 0.00 0.00 70.33 66.72 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 -0.91 1.50 3.54 -0.78 -1.94 -1.26 -4.37 119.30 115.08 3nnk s MET 367 Ca 0.32 -1.51 0.00 0.00 -1.71 0.00 0.00 55.69 52.79 3nnk s MET 367 Cb 0.05 -1.84 0.00 0.00 2.01 0.00 0.00 34.83 35.05 3nnk s MET 367 CO -0.15 0.40 0.00 0.41 -0.01 0.00 0.00 175.02 175.67 3nnk n GLY 368 N 0.32 3.11 0.25 -0.03 0.00 -1.24 -0.68 105.19 106.92 3nnk n GLY 368 Ca -0.13 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.43 1.61 3.20 -1.82 -2.42 116.97 117.10 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 0.10 0.00 0.09 -1.64 0.00 0.00 178.16 176.71 3nnk n ASN 370 N -4.08 2.66 -4.06 -2.11 3.02 0.14 -4.48 115.26 106.35 3nnk n ASN 370 Ca -0.02 -1.94 -0.43 0.00 -0.03 0.00 0.00 54.58 52.15 3nnk n ASN 370 Cb 0.18 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 0.96 4.86 -2.26 5.41 0.00 -0.91 -4.28 120.51 124.28 3nnk n ALA 371 Ca 0.17 -4.21 -0.14 0.00 0.00 0.00 0.00 53.44 49.26 3nnk n ALA 371 Cb 0.44 -3.12 -0.10 0.00 0.00 0.00 0.00 19.45 16.67 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 1.34 1.16 0.09 0.00 0.52 -1.26 -4.87 118.95 115.93 3nnk s ARG 372 Ca 0.42 -1.56 -0.20 0.00 -0.52 0.00 0.00 55.73 53.87 3nnk s ARG 372 Cb 0.06 -0.38 -0.09 0.00 0.52 0.00 0.00 34.95 35.06 3nnk s ARG 372 CO -0.00 -0.10 1.63 -0.22 0.02 0.00 0.00 175.30 176.63 3nnk h LYS 373 N 2.65 0.27 -0.16 3.54 3.64 -1.97 -2.87 116.57 121.66 3nnk h LYS 373 Ca -0.37 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.93 3nnk h LYS 373 Cb 1.21 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3nnk h LYS 373 CO 0.63 0.34 -0.06 0.38 -2.27 0.00 0.00 179.45 178.46 3nnk h ASP 374 N 0.14 0.23 -0.37 4.20 2.03 -1.97 0.72 116.42 121.39 3nnk h ASP 374 Ca 0.06 -0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.28 3nnk h ASP 374 Cb 0.16 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 3nnk h ASP 374 CO -0.01 0.33 0.04 0.00 -1.03 0.00 0.00 179.24 178.57 3nnk h VAL 376 N 0.47 0.94 -0.62 0.00 2.07 -1.11 -1.44 116.25 116.56 3nnk h VAL 376 Ca 0.11 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.27 3nnk h VAL 376 Cb 0.40 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 3nnk h VAL 376 CO 0.01 0.11 0.18 0.24 0.02 0.00 0.00 177.57 178.13 3nnk h MET 377 N -0.44 0.31 -0.40 1.57 2.07 -0.93 0.57 114.93 117.68 3nnk h MET 377 Ca -0.02 -0.02 -0.10 0.00 -2.07 0.00 0.00 59.70 57.48 3nnk h MET 377 Cb 0.35 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.99 3nnk h MET 377 CO 0.04 0.21 -0.17 1.15 1.07 0.00 0.00 176.91 179.20 3nnk h THR 378 N 0.32 1.26 -0.01 2.22 2.02 -1.19 -1.02 112.91 116.51 3nnk h THR 378 Ca 0.32 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 3nnk h THR 378 Cb 0.46 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3nnk h THR 378 CO -0.37 0.42 -0.01 0.74 0.37 0.00 0.00 175.52 176.67 3nnk h THR 379 N 0.68 1.38 -0.71 3.16 2.02 -0.66 -1.60 112.91 117.17 3nnk h THR 379 Ca 0.10 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.15 3nnk h THR 379 Cb 0.67 2.14 -0.04 0.00 -1.74 0.00 0.00 68.15 69.17 3nnk h THR 379 CO 0.05 0.30 0.45 -0.07 0.37 0.00 0.00 175.52 176.63 3nnk h LEU 380 N -0.44 0.75 -0.13 2.58 3.38 -0.89 0.10 115.31 120.67 3nnk h LEU 380 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3nnk h LEU 380 Cb 0.50 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3nnk h LEU 380 CO 0.00 0.53 -0.02 0.77 0.09 0.00 0.00 178.44 179.81 3nnk h SER 381 N 0.89 0.24 -0.60 -0.43 4.64 -1.21 -1.80 113.55 115.27 3nnk h SER 381 Ca 0.28 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3nnk h SER 381 Cb -0.01 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 3nnk h SER 381 CO -0.10 0.54 0.34 0.00 -0.87 0.00 0.00 176.83 176.73 3nnk h ALA 382 N 0.71 0.77 0.20 5.18 0.00 -1.19 -1.75 119.26 123.19 3nnk h ALA 382 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3nnk h ALA 382 Cb 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3nnk h ALA 382 CO 0.01 0.28 -0.12 1.25 0.00 0.00 0.00 179.25 180.68 3nnk h LEU 383 N 0.82 -0.28 -1.21 0.00 6.46 -0.94 -1.88 115.31 118.28 3nnk h LEU 383 Ca 0.21 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.95 3nnk h LEU 383 Cb 0.03 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 3nnk h LEU 383 CO -0.04 -0.19 0.08 -0.08 -0.62 0.00 0.00 178.44 177.59 3nnk h GLU 384 N -0.30 0.63 -0.29 1.25 4.81 -1.25 -1.35 114.58 118.08 3nnk h GLU 384 Ca -0.02 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3nnk h GLU 384 Cb 0.25 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3nnk h GLU 384 CO 0.03 0.59 0.07 0.00 -0.73 0.00 0.00 179.01 178.97 3nnk h ALA 385 N 1.48 0.38 -0.24 2.92 0.00 -1.15 -2.01 119.26 120.63 3nnk h ALA 385 Ca 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3nnk h ALA 385 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3nnk h ALA 385 CO 0.00 0.03 0.03 0.28 0.00 0.00 0.00 179.25 179.59 3nnk h VAL 386 N 0.30 1.24 -0.32 0.00 2.07 -1.02 -1.14 116.25 117.38 3nnk h VAL 386 Ca 0.09 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3nnk h VAL 386 Cb 0.28 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3nnk h VAL 386 CO 0.00 0.26 0.17 -0.07 0.02 0.00 0.00 177.57 177.95 3nnk h LEU 387 N 0.20 0.27 -0.98 2.57 3.38 -1.28 0.90 115.31 120.38 3nnk h LEU 387 Ca 0.07 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3nnk h LEU 387 Cb 0.35 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3nnk h LEU 387 CO 0.01 0.20 0.54 0.78 0.09 0.00 0.00 178.44 180.05 3nnk h ASN 388 N 0.36 1.11 0.22 -0.43 2.35 -1.31 0.16 115.58 118.03 3nnk h ASN 388 Ca 0.13 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3nnk h ASN 388 Cb 0.02 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3nnk h ASN 388 CO -0.08 0.86 -0.27 0.22 -1.65 0.00 0.00 177.43 176.51 3nnk h TYR 389 N 1.26 0.10 -0.17 1.19 5.03 -0.78 -1.24 116.97 122.36 3nnk h TYR 389 Ca 0.33 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.62 3nnk h TYR 389 Cb -0.03 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.22 3nnk h TYR 389 CO 0.01 0.36 0.00 1.28 -1.32 0.00 0.00 178.16 178.49 3nnk n LEU 390 N -4.19 1.98 -2.40 2.82 4.32 0.27 -4.89 117.00 114.91 3nnk n LEU 390 Ca -0.02 -1.00 -0.17 0.00 -0.02 0.00 0.00 56.01 54.80 3nnk n LEU 390 Cb 0.34 -0.44 0.03 0.00 -1.62 0.00 0.00 43.42 41.73 3nnk n LEU 390 CO 0.38 0.33 0.01 0.29 -1.22 0.00 0.00 177.39 177.19 3nnk n LYS 391 N 0.15 -3.97 -3.61 3.23 5.02 -0.47 -4.93 118.16 113.59 3nnk n LYS 391 Ca 0.07 0.70 -0.40 0.00 -2.02 0.00 0.00 58.31 56.66 3nnk n LYS 391 Cb 0.42 -5.12 -0.11 0.00 -0.02 0.00 0.00 35.03 30.20 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3nnk s PHE 392 N -3.05 3.26 0.23 2.13 5.36 -0.04 -4.99 117.98 120.89 3nnk s PHE 392 Ca 0.25 -1.13 -0.30 0.00 -0.96 0.00 0.00 56.93 54.79 3nnk s PHE 392 Cb -0.11 -2.55 -0.10 0.00 -0.34 0.00 0.00 43.02 39.91 3nnk s PHE 392 CO 0.31 -0.71 1.46 -2.14 -1.46 0.00 0.00 175.22 172.69 3nnk s PRO 393 N 1.51 4.25 0.05 10.12 0.02 -1.26 -3.71 135.00 145.99 3nnk s PRO 393 Ca 0.02 2.31 0.01 0.00 0.02 0.00 0.00 61.00 63.36 3nnk s PRO 393 Cb -0.20 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 3nnk s PRO 393 CO 0.05 -0.46 -0.06 0.95 -0.33 0.00 0.00 177.00 177.16 3nnk s THR 394 N 0.20 0.46 -0.09 0.99 -4.23 -1.26 -5.02 115.64 106.69 3nnk s THR 394 Ca 0.61 -1.39 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 3nnk s THR 394 Cb -0.42 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 3nnk s THR 394 CO 0.41 -0.63 1.49 -0.89 -0.54 0.00 0.00 174.62 174.47 3nnk s THR 395 N -2.38 3.84 -0.16 3.99 2.01 -1.26 -4.89 115.64 116.78 3nnk s THR 395 Ca -0.03 1.03 -0.36 0.00 0.31 0.00 0.00 61.69 62.65 3nnk s THR 395 Cb -0.03 -3.67 -0.13 0.00 0.01 0.00 0.00 72.50 68.68 3nnk s THR 395 CO -0.03 -0.08 1.85 1.67 -0.69 0.00 0.00 174.62 177.33 3nnk n GLN 396 N 6.79 1.80 -0.78 4.92 7.27 -1.26 -1.38 117.38 134.75 3nnk n GLN 396 Ca 0.16 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.89 3nnk n GLN 396 Cb 0.44 -2.46 0.00 0.00 2.41 0.00 0.00 30.24 30.63 3nnk n GLN 396 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 397 N 4.39 1.25 0.28 1.69 0.00 -1.26 -4.91 105.19 106.63 3nnk n GLY 397 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 0.83 -0.39 4.61 0.00 -1.54 -1.31 119.26 121.46 3nnk h ALA 398 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 3nnk h ALA 398 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3nnk h ALA 398 CO 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.78 3nnk h ALA 399 N 1.02 0.54 -0.07 0.00 0.00 -1.77 -2.84 119.26 116.12 3nnk h ALA 399 Ca 0.12 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3nnk h ALA 399 Cb 0.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3nnk h ALA 399 CO 0.05 0.43 -0.58 0.52 0.00 0.00 0.00 179.25 179.67 3nnk h MET 400 N 0.57 0.24 -0.19 0.00 2.07 -1.86 -3.21 114.93 112.55 3nnk h MET 400 Ca 0.10 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 3nnk h MET 400 Cb 0.65 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.39 3nnk h MET 400 CO 0.04 0.75 0.12 0.37 1.07 0.00 0.00 176.91 179.27 3nnk h GLN 401 N 0.18 0.25 0.00 1.72 5.75 -1.14 -2.26 115.11 119.61 3nnk h GLN 401 Ca -0.00 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 3nnk h GLN 401 Cb 1.07 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 3nnk h GLN 401 CO 0.09 0.18 -0.28 0.00 -2.65 0.00 0.00 178.83 176.17 3nnk h ALA 402 N 1.06 1.45 -0.14 3.38 0.00 -1.55 -1.66 119.26 121.79 3nnk h ALA 402 Ca 0.07 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3nnk h ALA 402 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3nnk h ALA 402 CO -0.01 0.35 -0.26 0.00 0.00 0.00 0.00 179.25 179.33 3nnk h ALA 403 N 1.72 0.22 -0.57 0.00 0.00 -1.52 -2.58 119.26 116.54 3nnk h ALA 403 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3nnk h ALA 403 Cb 0.52 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3nnk h ALA 403 CO 0.04 0.21 0.32 -1.49 0.00 0.00 0.00 179.25 178.33 3nnk h TRP 404 N 0.03 0.77 -0.67 0.00 6.55 -1.18 -1.92 115.95 119.54 3nnk h TRP 404 Ca 0.01 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.82 3nnk h TRP 404 Cb 0.84 -0.25 -0.03 0.00 -0.86 0.00 0.00 29.16 28.86 3nnk h TRP 404 CO 0.10 0.55 0.38 -0.44 -1.05 0.00 0.00 178.44 177.98 3nnk h ASP 405 N 0.77 0.81 -0.35 -3.49 3.32 -1.36 0.21 116.42 116.33 3nnk h ASP 405 Ca 0.20 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3nnk h ASP 405 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3nnk h ASP 405 CO -0.03 0.65 -0.10 -0.74 -1.72 0.00 0.00 179.24 177.29 3nnk h HIS 406 N 0.92 0.78 0.00 4.55 2.76 -1.20 -0.86 115.15 122.11 3nnk h HIS 406 Ca 0.24 -0.17 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 3nnk h HIS 406 Cb 0.01 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3nnk h HIS 406 CO 0.01 0.86 -0.22 1.88 -1.30 0.00 0.00 177.93 179.15 3nnk h TYR 407 N 0.48 0.00 -0.07 5.26 0.05 -1.03 -0.82 116.97 120.84 3nnk h TYR 407 Ca 0.09 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.77 3nnk h TYR 407 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3nnk h TYR 407 CO 0.05 0.22 -0.35 0.00 -1.05 0.00 0.00 178.16 177.04 3nnk h ARG 408 N 0.00 0.36 -0.47 4.88 -0.00 -0.81 -3.27 114.38 115.06 3nnk h ARG 408 Ca -0.00 -0.29 -0.07 0.00 -0.50 0.00 0.00 59.98 59.11 3nnk h ARG 408 Cb 0.76 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.77 3nnk h ARG 408 CO 0.03 0.94 -0.00 0.77 0.00 0.00 0.00 179.97 181.70 3nnk h SER 409 N -0.13 0.74 0.53 7.04 0.02 -1.01 -2.92 113.55 117.82 3nnk h SER 409 Ca -0.02 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3nnk h SER 409 Cb 1.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3nnk h SER 409 CO 0.07 0.81 0.00 -0.33 -1.14 0.00 0.00 176.83 176.24 3nnk h GLU 410 N 0.72 0.00 -0.01 3.45 5.08 -1.24 -3.51 114.58 119.07 3nnk h GLU 410 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3nnk h GLU 410 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3nnk h GLU 410 CO 0.02 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.92