#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 1.39 -0.05 0.53 6.09 -2.08 -3.31 117.51 120.08 3nnk h ILE 3 Ca 0.00 -3.10 0.01 0.00 -1.37 0.00 0.00 64.86 60.40 3nnk h ILE 3 Cb 0.00 2.75 -0.00 0.00 0.47 0.00 0.00 36.82 40.04 3nnk h ILE 3 CO 0.00 0.83 0.08 0.71 -3.07 0.00 0.00 178.15 176.70 3nnk h THR 4 N 0.02 0.33 0.00 2.19 1.35 -2.10 0.14 112.91 114.84 3nnk h THR 4 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3nnk h THR 4 Cb 1.90 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3nnk h THR 4 CO 0.14 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.41 3nnk n GLN 5 N -3.55 0.71 -3.33 4.72 10.64 -1.25 -4.46 117.38 120.86 3nnk n GLN 5 Ca -0.02 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.69 3nnk n GLN 5 Cb 0.16 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.00 3nnk n GLN 5 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3nnk s PHE 6 N -2.29 3.36 0.70 2.61 0.40 0.49 -5.07 117.98 118.18 3nnk s PHE 6 Ca 0.38 -1.46 0.01 0.00 -0.60 0.00 0.00 56.93 55.26 3nnk s PHE 6 Cb 0.21 -3.79 0.12 0.00 0.51 0.00 0.00 43.02 40.07 3nnk s PHE 6 CO 0.41 -1.01 0.96 -1.54 0.70 0.00 0.00 175.22 174.74 3nnk s SER 7 N 3.26 4.45 0.88 1.36 1.04 -1.26 -5.04 113.70 118.39 3nnk s SER 7 Ca 0.06 -0.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.91 3nnk s SER 7 Cb -0.26 0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.04 3nnk s SER 7 CO 0.00 -1.79 1.08 0.00 0.98 0.00 0.00 173.24 173.51 3nnk n GLN 8 N -2.74 -0.23 -1.72 4.02 10.64 -1.26 -4.90 117.38 121.19 3nnk n GLN 8 Ca 0.15 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.90 3nnk n GLN 8 Cb 0.61 -2.33 -0.03 0.00 -0.86 0.00 0.00 30.24 27.63 3nnk n GLN 8 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3nnk n LEU 9 N -3.57 3.93 -2.89 2.61 -0.00 -1.26 -4.97 117.00 110.85 3nnk n LEU 9 Ca 0.12 1.11 -0.09 0.00 -0.00 0.00 0.00 56.01 57.15 3nnk n LEU 9 Cb 0.52 -1.55 -0.01 0.00 -0.00 0.00 0.00 43.42 42.38 3nnk n LEU 9 CO 0.49 0.04 0.03 -3.20 -0.00 0.00 0.00 177.39 174.75 3nnk n ASN 10 N 3.00 -2.87 -4.77 1.96 4.05 -1.26 -5.14 115.26 110.22 3nnk n ASN 10 Ca 0.13 -2.81 -0.38 0.00 0.45 0.00 0.00 54.58 51.96 3nnk n ASN 10 Cb 0.34 1.30 -0.04 0.00 1.23 0.00 0.00 39.78 42.61 3nnk n ASN 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3nnk s PRO 11 N 0.71 4.42 0.72 1.20 0.04 -1.26 -5.03 135.00 135.80 3nnk s PRO 11 Ca 0.31 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 3nnk s PRO 11 Cb 0.01 -2.85 0.03 0.00 0.04 0.00 0.00 34.50 31.73 3nnk s PRO 11 CO -0.08 0.07 1.12 -1.25 0.04 0.00 0.00 177.00 176.90 3nnk s PRO 12 N -1.98 2.40 -0.05 0.56 0.04 -1.26 -4.95 135.00 129.76 3nnk s PRO 12 Ca 0.51 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 3nnk s PRO 12 Cb -0.26 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3nnk s PRO 12 CO 0.32 -1.57 1.49 0.45 0.04 0.00 0.00 177.00 177.73 3nnk s SER 13 N -2.71 6.78 -0.07 6.66 0.15 -1.26 -5.00 113.70 118.25 3nnk s SER 13 Ca 0.67 2.11 0.01 0.00 0.70 0.00 0.00 55.95 59.43 3nnk s SER 13 Cb -0.21 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.57 3nnk s SER 13 CO 0.47 -0.82 -0.06 -0.13 1.20 0.00 0.00 173.24 173.91 3nnk s ARG 14 N 3.23 1.10 -0.48 5.44 1.81 -1.26 -4.81 118.95 123.97 3nnk s ARG 14 Ca 0.66 -0.16 -0.21 0.00 -1.72 0.00 0.00 55.73 54.30 3nnk s ARG 14 Cb -0.31 -1.12 0.04 0.00 -0.45 0.00 0.00 34.95 33.11 3nnk s ARG 14 CO 0.26 -0.13 0.70 -1.17 -0.68 0.00 0.00 175.30 174.27 3nnk s LEU 15 N 1.19 4.59 -0.48 2.53 2.96 -0.44 -4.91 118.68 124.13 3nnk s LEU 15 Ca -0.06 -0.54 -0.21 0.00 -0.22 0.00 0.00 54.13 53.09 3nnk s LEU 15 Cb -0.14 -2.65 0.04 0.00 0.50 0.00 0.00 46.19 43.94 3nnk s LEU 15 CO -0.02 -0.91 0.72 -0.76 -1.32 0.00 0.00 176.35 174.07 3nnk s LEU 16 N 2.97 4.50 -0.19 -0.68 1.43 -1.26 -1.52 118.68 123.93 3nnk s LEU 16 Ca 0.22 -0.45 0.13 0.00 -1.03 0.00 0.00 54.13 53.00 3nnk s LEU 16 Cb -0.16 -2.72 0.43 0.00 0.03 0.00 0.00 46.19 43.78 3nnk s LEU 16 CO 0.17 -0.92 1.20 0.23 0.23 0.00 0.00 176.35 177.26 3nnk n MET 17 N 6.55 1.64 0.00 1.70 2.81 0.14 -4.39 117.12 125.57 3nnk n MET 17 Ca -0.01 -3.23 0.00 0.00 -1.81 0.00 0.00 57.70 52.65 3nnk n MET 17 Cb 0.47 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 3nnk n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nnk n GLY 18 N -0.76 1.69 0.12 3.03 0.00 -1.11 -0.06 105.19 108.10 3nnk n GLY 18 Ca 0.20 -1.76 0.13 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 0.43 0.00 1.61 -0.05 -1.26 -2.52 135.00 133.20 3nnk n PRO 19 Ca 0.00 -0.24 0.00 0.00 -0.05 0.00 0.00 63.50 63.21 3nnk n PRO 19 Cb 0.00 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 31.95 3nnk n PRO 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3nnk n GLY 20 N 1.41 4.03 3.79 0.55 0.00 -1.26 -4.92 105.19 108.80 3nnk n GLY 20 Ca 0.09 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.17 3.54 0.42 1.61 0.04 -1.26 -5.16 135.00 130.03 3nnk s PRO 21 Ca 0.00 1.36 0.08 0.00 0.04 0.00 0.00 61.00 62.48 3nnk s PRO 21 Cb 0.00 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3nnk s PRO 21 CO 0.00 -0.65 0.39 0.96 0.04 0.00 0.00 177.00 177.74 3nnk s ILE 22 N -2.09 2.65 0.25 0.56 -5.25 -0.62 -4.83 121.20 111.86 3nnk s ILE 22 Ca 0.67 -1.33 -0.31 0.00 -0.99 0.00 0.00 60.65 58.69 3nnk s ILE 22 Cb -0.18 -2.98 -0.13 0.00 2.95 0.00 0.00 42.46 42.12 3nnk s ILE 22 CO 0.27 0.00 1.44 0.59 -1.79 0.00 0.00 174.94 175.45 3nnk n ASN 23 N -1.57 2.93 -4.81 4.36 4.13 -1.26 -4.86 115.26 114.17 3nnk n ASN 23 Ca 0.04 1.14 -0.33 0.00 1.68 0.00 0.00 54.58 57.11 3nnk n ASN 23 Cb 0.62 -1.45 -0.04 0.00 -1.54 0.00 0.00 39.78 37.36 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 -0.04 2.95 0.15 5.41 0.00 -1.26 -4.40 121.76 124.57 3nnk s ALA 24 Ca 0.68 0.44 -0.31 0.00 0.00 0.00 0.00 51.96 52.76 3nnk s ALA 24 Cb -0.63 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.21 3nnk s ALA 24 CO 0.49 -0.20 1.59 0.34 0.00 0.00 0.00 175.76 177.98 3nnk s ASP 25 N -2.33 6.58 0.54 0.00 -1.08 -0.27 -4.89 116.67 115.22 3nnk s ASP 25 Ca 0.64 2.60 0.29 0.00 -0.52 0.00 0.00 52.55 55.56 3nnk s ASP 25 Cb -0.13 -2.59 1.46 0.00 -1.46 0.00 0.00 42.92 40.20 3nnk s ASP 25 CO 0.21 -0.84 1.93 -0.65 0.52 0.00 0.00 175.17 176.34 3nnk h PRO 26 N 7.09 0.00 0.00 4.34 0.11 -1.95 0.20 132.00 141.79 3nnk h PRO 26 Ca -0.43 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 3nnk h PRO 26 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3nnk h PRO 26 CO 0.92 0.00 -0.43 0.00 -0.21 0.00 0.00 178.00 178.28 3nnk h ARG 27 N 0.00 0.00 -0.05 1.05 -0.00 -1.95 -2.42 114.38 111.02 3nnk h ARG 27 Ca 0.35 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.66 3nnk h ARG 27 Cb 1.44 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.42 3nnk h ARG 27 CO -0.00 0.43 -0.65 0.28 0.00 0.00 0.00 179.97 180.02 3nnk h VAL 28 N 0.00 1.37 -0.65 2.04 2.07 -0.90 -2.52 116.25 117.66 3nnk h VAL 28 Ca -0.00 -2.01 0.01 0.00 0.82 0.00 0.00 66.70 65.51 3nnk h VAL 28 Cb 0.79 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 3nnk h VAL 28 CO 0.06 0.60 0.43 -0.07 0.02 0.00 0.00 177.57 178.60 3nnk h LEU 29 N 0.10 0.75 -0.42 2.57 3.38 -1.45 -2.46 115.31 117.78 3nnk h LEU 29 Ca -0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3nnk h LEU 29 Cb 1.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3nnk h LEU 29 CO 0.13 0.55 0.07 0.03 0.09 0.00 0.00 178.44 179.31 3nnk h ARG 30 N 0.88 0.69 -0.20 1.13 3.08 -1.50 -2.77 114.38 115.70 3nnk h ARG 30 Ca 0.24 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 60.15 3nnk h ARG 30 Cb -0.09 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3nnk h ARG 30 CO -0.05 0.73 0.14 0.00 -1.07 0.00 0.00 179.97 179.72 3nnk h ALA 31 N 0.93 2.13 0.00 0.04 0.00 -1.28 -1.39 119.26 119.70 3nnk h ALA 31 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3nnk h ALA 31 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3nnk h ALA 31 CO 0.01 -0.18 0.00 -1.33 0.00 0.00 0.00 179.25 177.75 3nnk n MET 32 N -4.49 0.22 0.00 0.00 2.81 -0.94 -2.91 117.12 111.81 3nnk n MET 32 Ca 0.01 0.38 0.13 0.00 -1.81 0.00 0.00 57.70 56.41 3nnk n MET 32 Cb 0.25 -1.87 0.37 0.00 -0.71 0.00 0.00 33.22 31.25 3nnk n MET 32 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3nnk n SER 33 N -2.29 0.60 -4.74 7.83 3.41 -0.52 -4.93 113.62 112.98 3nnk n SER 33 Ca 0.03 -0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 57.83 3nnk n SER 33 Cb 0.29 0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 3nnk n SER 33 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3nnk n SER 34 N -1.19 3.20 -4.76 4.04 2.88 -1.15 -4.98 113.62 111.67 3nnk n SER 34 Ca 0.09 1.17 -0.33 0.00 -1.33 0.00 0.00 58.87 58.46 3nnk n SER 34 Cb 0.33 -1.56 0.06 0.00 -0.75 0.00 0.00 64.21 62.29 3nnk n SER 34 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3nnk s GLN 35 N -2.17 2.64 0.36 -1.46 2.00 -1.26 -4.99 119.66 114.78 3nnk s GLN 35 Ca 0.57 1.48 -0.07 0.00 -2.00 0.00 0.00 55.36 55.35 3nnk s GLN 35 Cb -0.49 -1.92 -0.05 0.00 0.80 0.00 0.00 33.01 31.34 3nnk s GLN 35 CO 0.61 -1.39 0.66 -0.51 -0.50 0.00 0.00 175.29 174.16 3nnk s LEU 36 N -4.92 3.92 0.45 3.68 1.43 -1.26 -5.10 118.68 116.88 3nnk s LEU 36 Ca 0.69 0.87 0.05 0.00 -1.03 0.00 0.00 54.13 54.72 3nnk s LEU 36 Cb -0.23 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 3nnk s LEU 36 CO 0.42 -0.32 0.09 0.27 0.23 0.00 0.00 176.35 177.04 3nnk s ILE 37 N -2.28 1.82 0.76 -0.59 -0.00 -1.26 -5.14 121.20 114.51 3nnk s ILE 37 Ca 0.47 -1.88 -0.13 0.00 -0.00 0.00 0.00 60.65 59.11 3nnk s ILE 37 Cb -0.10 -2.70 0.05 0.00 -0.00 0.00 0.00 42.46 39.71 3nnk s ILE 37 CO 0.32 0.00 1.16 -0.83 -0.00 0.00 0.00 174.94 175.59 3nnk s GLY 38 N -3.86 2.08 0.30 6.27 0.00 -1.26 -4.94 107.32 105.91 3nnk s GLY 38 Ca 0.28 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.67 3nnk s GLY 38 CO 0.15 1.05 1.92 -1.61 0.00 0.00 0.00 173.10 174.61 3nnk h GLN 39 N -0.66 1.01 -0.16 2.90 4.15 -2.00 -2.86 115.11 117.49 3nnk h GLN 39 Ca -0.46 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.90 3nnk h GLN 39 Cb 1.27 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.73 3nnk h GLN 39 CO 0.49 0.67 0.00 0.66 -1.93 0.00 0.00 178.83 178.72 3nnk n TYR 40 N -4.48 0.54 -1.81 3.99 4.01 -1.26 -4.67 117.16 113.48 3nnk n TYR 40 Ca 0.13 -0.90 -0.42 0.00 -0.16 0.00 0.00 57.90 56.55 3nnk n TYR 40 Cb 0.17 -0.24 -0.02 0.00 -0.31 0.00 0.00 39.34 38.95 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 -2.25 6.42 0.54 7.72 -1.08 -1.08 -4.88 116.67 122.06 3nnk s ASP 41 Ca 0.37 2.89 0.36 0.00 -0.52 0.00 0.00 52.55 55.64 3nnk s ASP 41 Cb 0.30 -2.63 1.54 0.00 -1.46 0.00 0.00 42.92 40.68 3nnk s ASP 41 CO 0.07 -0.89 1.80 -0.65 0.52 0.00 0.00 175.17 176.02 3nnk h PRO 42 N 5.21 0.01 -0.39 4.34 0.11 -1.94 0.14 132.00 139.47 3nnk h PRO 42 Ca -0.46 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 3nnk h PRO 42 Cb 1.22 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3nnk h PRO 42 CO 0.82 0.01 -0.32 0.00 -0.21 0.00 0.00 178.00 178.30 3nnk h ALA 43 N 1.41 0.69 -0.29 -0.75 0.00 -1.94 -1.79 119.26 116.59 3nnk h ALA 43 Ca 0.57 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3nnk h ALA 43 Cb 2.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 3nnk h ALA 43 CO -0.02 0.67 -0.05 1.98 0.00 0.00 0.00 179.25 181.83 3nnk h MET 44 N 0.74 0.55 0.00 0.00 -1.53 -1.00 -1.01 114.93 112.68 3nnk h MET 44 Ca 0.08 -0.20 -0.08 0.00 -3.44 0.00 0.00 59.70 56.05 3nnk h MET 44 Cb 0.88 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.88 3nnk h MET 44 CO 0.08 0.74 -0.39 1.79 0.14 0.00 0.00 176.91 179.26 3nnk h THR 45 N 0.32 1.01 -0.52 -0.77 1.35 -1.53 -1.12 112.91 111.66 3nnk h THR 45 Ca 0.08 -1.49 -0.11 0.00 -0.55 0.00 0.00 66.41 64.33 3nnk h THR 45 Cb 0.52 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3nnk h THR 45 CO 0.03 0.38 -0.13 -0.74 -0.25 0.00 0.00 175.52 174.81 3nnk h HIS 46 N 0.00 1.10 -0.20 4.73 6.17 -1.17 -2.50 115.15 123.28 3nnk h HIS 46 Ca -0.00 -0.23 -0.16 0.00 0.71 0.00 0.00 60.37 60.68 3nnk h HIS 46 Cb 0.84 -0.27 -0.00 0.00 2.52 0.00 0.00 27.41 30.49 3nnk h HIS 46 CO 0.00 1.04 -0.55 1.88 0.71 0.00 0.00 177.93 181.01 3nnk h TYR 47 N 0.87 0.77 -0.57 5.26 0.99 -0.71 -1.93 116.97 121.64 3nnk h TYR 47 Ca 0.13 -0.27 -0.06 0.00 2.00 0.00 0.00 58.73 60.53 3nnk h TYR 47 Cb 0.69 -0.14 -0.03 0.00 1.00 0.00 0.00 36.73 38.25 3nnk h TYR 47 CO 0.04 1.02 0.13 0.52 -0.00 0.00 0.00 178.16 179.88 3nnk h MET 48 N 0.47 0.89 -0.50 4.88 2.86 -1.25 -1.12 114.93 121.17 3nnk h MET 48 Ca 0.01 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 3nnk h MET 48 Cb 1.10 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 3nnk h MET 48 CO 0.11 0.80 0.21 -0.91 1.06 0.00 0.00 176.91 178.18 3nnk h ASN 49 N 0.86 0.68 -0.25 1.22 -0.26 -1.27 -1.84 115.58 114.72 3nnk h ASN 49 Ca 0.19 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3nnk h ASN 49 Cb 0.32 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 3nnk h ASN 49 CO 0.00 0.65 0.14 -0.33 -1.06 0.00 0.00 177.43 176.83 3nnk h GLU 50 N 0.66 0.35 -0.45 0.81 5.08 -1.10 -1.89 114.58 118.04 3nnk h GLU 50 Ca 0.17 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3nnk h GLU 50 Cb 0.17 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3nnk h GLU 50 CO -0.02 0.31 0.17 0.28 -1.00 0.00 0.00 179.01 178.76 3nnk h VAL 51 N 0.29 0.88 -0.18 3.13 2.07 -1.13 0.39 116.25 121.69 3nnk h VAL 51 Ca 0.09 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.53 3nnk h VAL 51 Cb 0.06 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3nnk h VAL 51 CO -0.01 0.06 -0.10 0.24 0.02 0.00 0.00 177.57 177.78 3nnk h MET 52 N 0.35 -0.08 -0.61 1.57 2.86 -1.21 -1.52 114.93 116.30 3nnk h MET 52 Ca 0.21 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 3nnk h MET 52 Cb 0.19 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3nnk h MET 52 CO -0.20 -0.05 0.18 0.00 1.06 0.00 0.00 176.91 177.89 3nnk h ALA 53 N 1.07 0.79 -0.66 6.32 0.00 -0.66 -2.70 119.26 123.43 3nnk h ALA 53 Ca 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 53 Cb 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3nnk h ALA 53 CO -0.24 0.47 0.24 -0.07 0.00 0.00 0.00 179.25 179.65 3nnk h LEU 54 N 0.87 0.93 -0.63 0.00 3.38 -0.04 -3.03 115.31 116.79 3nnk h LEU 54 Ca 0.19 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3nnk h LEU 54 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3nnk h LEU 54 CO -0.00 0.87 -0.25 1.88 0.09 0.00 0.00 178.44 181.03 3nnk h TYR 55 N 0.94 0.00 -0.79 1.13 0.05 -1.20 -2.66 116.97 114.44 3nnk h TYR 55 Ca 0.22 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.06 3nnk h TYR 55 Cb 0.25 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.93 3nnk h TYR 55 CO 0.02 0.25 0.48 0.00 -1.05 0.00 0.00 178.16 177.85 3nnk h ARG 56 N 0.00 0.85 -0.17 4.88 3.08 -1.35 0.44 114.38 122.10 3nnk h ARG 56 Ca -0.00 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3nnk h ARG 56 Cb 0.96 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3nnk h ARG 56 CO 0.03 0.56 -0.35 0.78 -1.07 0.00 0.00 179.97 179.92 3nnk h GLY 57 N 0.87 0.40 0.52 0.04 0.00 -1.49 0.86 103.07 104.27 3nnk h GLY 57 Ca 0.34 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 3nnk h GLY 57 CO -0.17 0.32 -0.23 -2.08 0.00 0.00 0.00 176.54 174.38 3nnk h VAL 58 N 0.31 1.50 0.00 4.60 2.07 -1.25 -3.19 116.25 120.29 3nnk h VAL 58 Ca 0.04 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 3nnk h VAL 58 Cb 0.77 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3nnk h VAL 58 CO 0.06 0.49 -0.06 -0.26 0.02 0.00 0.00 177.57 177.82 3nnk h PHE 59 N -0.40 0.00 -4.69 1.57 0.04 -0.97 -3.46 116.94 109.02 3nnk h PHE 59 Ca -0.02 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.57 3nnk h PHE 59 Cb 0.93 0.00 0.14 0.00 2.20 0.00 0.00 35.95 39.22 3nnk h PHE 59 CO 0.16 0.06 -0.59 0.54 -0.60 0.00 0.00 178.31 177.87 3nnk n ARG 60 N -3.22 -1.91 -4.09 1.51 5.12 -0.33 -2.73 116.66 111.02 3nnk n ARG 60 Ca -0.00 0.61 -0.09 0.00 -1.93 0.00 0.00 57.85 56.44 3nnk n ARG 60 Cb 0.30 -4.57 -0.10 0.00 -1.16 0.00 0.00 32.46 26.93 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 -3.27 0.34 -2.16 0.55 -1.32 0.15 -3.10 115.64 106.83 3nnk s THR 61 Ca 0.29 -1.64 0.20 0.00 -1.21 0.00 0.00 61.69 59.32 3nnk s THR 61 Cb -0.04 -1.29 0.34 0.00 -1.51 0.00 0.00 72.50 70.00 3nnk s THR 61 CO 0.52 -0.85 1.29 -0.62 -2.21 0.00 0.00 174.62 172.75 3nnk n GLU 62 N 0.41 2.25 -1.63 7.08 1.02 -1.26 -4.52 120.64 123.99 3nnk n GLU 62 Ca -0.16 -2.07 -0.49 0.00 -0.02 0.00 0.00 57.16 54.42 3nnk n GLU 62 Cb 0.60 -1.44 -0.05 0.00 -0.02 0.00 0.00 31.44 30.53 3nnk n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nnk n ASN 63 N 1.24 2.30 -0.15 1.62 3.02 -1.26 -4.90 115.26 117.13 3nnk n ASN 63 Ca 0.16 1.11 -0.09 0.00 -0.03 0.00 0.00 54.58 55.73 3nnk n ASN 63 Cb 0.54 -1.31 -0.00 0.00 -0.61 0.00 0.00 39.78 38.40 3nnk n ASN 63 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3nnk h ARG 64 N 5.02 0.66 -2.95 3.52 2.43 -1.96 -3.34 114.38 117.76 3nnk h ARG 64 Ca -0.46 -0.13 -0.75 0.00 -0.81 0.00 0.00 59.98 57.83 3nnk h ARG 64 Cb 1.30 -0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.60 3nnk h ARG 64 CO 0.82 0.62 2.17 0.91 -1.51 0.00 0.00 179.97 182.98 3nnk n TRP 65 N -4.60 2.70 -3.78 2.20 5.03 -1.26 -4.86 117.44 112.87 3nnk n TRP 65 Ca 0.00 -2.79 -0.36 0.00 3.03 0.00 0.00 57.50 57.38 3nnk n TRP 65 Cb 0.16 -1.84 -0.13 0.00 -1.03 0.00 0.00 31.31 28.48 3nnk n TRP 65 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 3nnk s THR 66 N -0.72 4.04 0.15 -0.99 2.01 -1.26 -1.65 115.64 117.21 3nnk s THR 66 Ca 0.47 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 3nnk s THR 66 Cb 0.15 -2.94 0.02 0.00 0.01 0.00 0.00 72.50 69.73 3nnk s THR 66 CO -0.05 0.28 0.27 1.15 -0.69 0.00 0.00 174.62 175.58 3nnk n MET 67 N 4.89 0.39 -4.54 4.92 0.00 -0.31 -4.43 117.12 118.03 3nnk n MET 67 Ca -0.16 -0.94 -0.32 0.00 0.00 0.00 0.00 57.70 56.28 3nnk n MET 67 Cb 0.50 1.07 -0.11 0.00 0.00 0.00 0.00 33.22 34.68 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 3.02 -0.20 3.17 1.43 -1.26 -0.84 118.68 123.99 3nnk s LEU 68 Ca 0.08 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3nnk s LEU 68 Cb -0.01 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3nnk s LEU 68 CO 0.06 0.29 0.03 -0.69 0.23 0.00 0.00 176.35 176.26 3nnk s VAL 69 N -0.95 4.31 -0.91 -1.59 1.01 0.36 -4.95 120.40 117.68 3nnk s VAL 69 Ca 0.16 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 3nnk s VAL 69 Cb -0.11 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3nnk s VAL 69 CO 0.06 0.43 1.55 -1.81 0.00 0.00 0.00 175.10 175.33 3nnk s ASP 70 N 0.82 6.06 0.00 3.32 -0.00 -1.26 -1.31 116.67 124.30 3nnk s ASP 70 Ca 0.02 -0.95 0.00 0.00 -0.00 0.00 0.00 52.55 51.62 3nnk s ASP 70 Cb -0.14 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.22 3nnk s ASP 70 CO 0.02 -1.90 0.00 0.61 -0.00 0.00 0.00 175.17 173.91 3nnk n GLY 71 N 6.48 1.73 3.44 0.21 0.00 -1.04 -5.00 105.19 111.01 3nnk n GLY 71 Ca 0.27 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 3nnk n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nnk s THR 72 N -2.00 1.45 0.24 2.61 -4.23 -1.26 -2.14 115.64 110.31 3nnk s THR 72 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 3nnk s THR 72 Cb 0.00 -2.24 0.21 0.00 1.34 0.00 0.00 72.50 71.81 3nnk s THR 72 CO 0.00 0.00 1.73 0.28 -0.54 0.00 0.00 174.62 176.09 3nnk h SER 73 N -3.00 0.29 0.97 3.99 0.02 -1.80 -0.70 113.55 113.31 3nnk h SER 73 Ca -0.46 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3nnk h SER 73 Cb 1.32 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3nnk h SER 73 CO 0.34 0.12 0.00 -2.11 -1.14 0.00 0.00 176.83 174.03 3nnk n ARG 74 N -4.99 0.13 -0.13 3.45 1.85 -1.26 -2.11 116.66 113.59 3nnk n ARG 74 Ca 0.14 0.22 -0.12 0.00 -1.00 0.00 0.00 57.85 57.09 3nnk n ARG 74 Cb 0.39 -1.69 -0.01 0.00 -1.05 0.00 0.00 32.46 30.11 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 2.57 0.63 -0.40 2.89 0.00 -1.43 -1.69 119.26 121.83 3nnk h ALA 75 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3nnk h ALA 75 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3nnk h ALA 75 CO 0.00 0.68 0.20 0.78 0.00 0.00 0.00 179.25 180.90 3nnk h GLY 76 N 0.83 0.62 0.44 0.00 0.00 -1.39 0.27 103.07 103.83 3nnk h GLY 76 Ca 0.08 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.15 3nnk h GLY 76 CO 0.08 0.29 -0.19 -2.22 0.00 0.00 0.00 176.54 174.50 3nnk h ILE 77 N 0.51 0.53 -0.85 2.60 2.04 -1.51 -1.99 117.51 118.85 3nnk h ILE 77 Ca 0.14 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 3nnk h ILE 77 Cb 0.11 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3nnk h ILE 77 CO -0.02 0.00 0.52 -0.08 0.00 0.00 0.00 178.15 178.57 3nnk h GLU 78 N -0.26 1.14 -0.64 2.37 4.81 -1.04 0.22 114.58 121.18 3nnk h GLU 78 Ca 0.08 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 3nnk h GLU 78 Cb 0.38 -0.24 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 3nnk h GLU 78 CO -0.24 0.79 0.26 0.00 -0.73 0.00 0.00 179.01 179.10 3nnk h ALA 79 N 1.28 0.85 -0.11 2.92 0.00 -0.14 -0.71 119.26 123.36 3nnk h ALA 79 Ca 0.31 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 3nnk h ALA 79 Cb -0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3nnk h ALA 79 CO -0.06 -0.16 -0.35 0.82 0.00 0.00 0.00 179.25 179.50 3nnk h ILE 80 N 0.45 1.38 -0.14 0.00 2.04 -0.77 -3.04 117.51 117.43 3nnk h ILE 80 Ca 0.33 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 3nnk h ILE 80 Cb 0.40 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3nnk h ILE 80 CO -0.31 0.49 -0.04 -0.07 0.00 0.00 0.00 178.15 178.22 3nnk h LEU 81 N 0.00 0.28 -1.46 1.44 3.38 -0.73 -1.66 115.31 116.56 3nnk h LEU 81 Ca -0.01 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 3nnk h LEU 81 Cb 0.97 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3nnk h LEU 81 CO 0.07 0.60 -0.01 0.58 0.09 0.00 0.00 178.44 179.78 3nnk h VAL 82 N -0.04 1.15 0.00 1.22 2.07 -1.27 0.23 116.25 119.62 3nnk h VAL 82 Ca 0.03 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 3nnk h VAL 82 Cb 0.48 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3nnk h VAL 82 CO 0.02 0.20 -0.59 0.28 0.02 0.00 0.00 177.57 177.49 3nnk h SER 83 N 0.33 0.00 0.11 0.57 0.02 -1.41 -3.35 113.55 109.82 3nnk h SER 83 Ca 0.08 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.79 3nnk h SER 83 Cb 0.24 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 3nnk h SER 83 CO 0.01 0.59 -2.12 0.00 -1.14 0.00 0.00 176.83 174.16 3nnk n ALA 84 N -2.26 1.94 -2.73 3.77 0.00 -0.64 -4.53 120.51 116.08 3nnk n ALA 84 Ca 0.01 -0.97 -0.38 0.00 0.00 0.00 0.00 53.44 52.10 3nnk n ALA 84 Cb 0.76 -0.47 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.85 4.99 0.30 0.00 1.01 0.04 -5.01 121.20 119.67 3nnk s ILE 85 Ca -0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3nnk s ILE 85 Cb 0.09 -3.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 3nnk s ILE 85 CO 0.85 0.22 0.64 -0.13 0.00 0.00 0.00 174.94 176.52 3nnk s ARG 86 N 1.70 3.83 0.17 2.79 3.00 -1.26 -4.77 118.95 124.41 3nnk s ARG 86 Ca 0.06 0.38 -0.33 0.00 0.00 0.00 0.00 55.73 55.84 3nnk s ARG 86 Cb -0.16 -2.54 -0.15 0.00 0.00 0.00 0.00 34.95 32.10 3nnk s ARG 86 CO 0.09 0.19 1.30 -2.30 0.00 0.00 0.00 175.30 174.58 3nnk n PRO 87 N -0.53 1.48 0.00 3.54 -0.02 -1.26 -1.78 135.00 136.44 3nnk n PRO 87 Ca 0.01 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3nnk n PRO 87 Cb 0.53 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3nnk n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nnk n GLY 88 N 2.31 3.32 3.71 -1.23 0.00 0.58 -4.99 105.19 108.89 3nnk n GLY 88 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 0.02 3.19 -4.81 1.61 8.00 -0.73 -4.37 116.55 119.46 3nnk n ASP 89 Ca 0.00 1.16 -0.34 0.00 0.71 0.00 0.00 54.79 56.32 3nnk n ASP 89 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 39.54 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 -0.77 4.08 -0.06 -1.24 1.02 -1.26 -1.48 119.74 120.02 3nnk s LYS 90 Ca 0.64 1.23 -0.10 0.00 0.02 0.00 0.00 55.97 57.76 3nnk s LYS 90 Cb -0.57 -2.18 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 3nnk s LYS 90 CO 0.52 -0.18 0.24 0.08 -0.92 0.00 0.00 175.35 175.10 3nnk s VAL 91 N -2.06 0.03 -0.11 3.17 1.01 -0.41 -1.75 120.40 120.26 3nnk s VAL 91 Ca 0.63 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.42 3nnk s VAL 91 Cb -0.13 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.84 3nnk s VAL 91 CO 0.17 -0.12 -0.21 -0.22 0.00 0.00 0.00 175.10 174.71 3nnk s LEU 92 N -0.44 2.02 -0.23 3.92 2.96 -0.81 0.37 118.68 126.47 3nnk s LEU 92 Ca -0.05 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 3nnk s LEU 92 Cb -0.04 -1.34 0.05 0.00 0.50 0.00 0.00 46.19 45.37 3nnk s LEU 92 CO 0.01 0.11 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.37 3nnk s VAL 93 N 0.61 1.76 -0.73 1.68 1.01 0.40 -0.49 120.40 124.64 3nnk s VAL 93 Ca -0.13 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 3nnk s VAL 93 Cb -0.17 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.32 3nnk s VAL 93 CO 0.04 0.02 1.42 -2.84 0.00 0.00 0.00 175.10 173.74 3nnk s PRO 94 N 1.31 3.08 -0.14 2.72 0.02 -1.25 -2.61 135.00 138.13 3nnk s PRO 94 Ca -0.05 -0.10 -0.27 0.00 0.02 0.00 0.00 61.00 60.60 3nnk s PRO 94 Cb -0.18 -4.29 -0.01 0.00 0.02 0.00 0.00 34.50 30.03 3nnk s PRO 94 CO -0.07 -2.30 0.91 0.08 -0.33 0.00 0.00 177.00 175.30 3nnk s VAL 95 N 6.50 4.84 0.00 3.83 1.01 -0.09 -4.72 120.40 131.76 3nnk s VAL 95 Ca 0.43 1.82 0.00 0.00 0.00 0.00 0.00 61.98 64.23 3nnk s VAL 95 Cb -0.09 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3nnk s VAL 95 CO 0.15 0.02 0.86 2.22 0.00 0.00 0.00 175.10 178.34 3nnk n PHE 96 N 5.14 0.00 0.00 5.22 1.16 -1.26 -2.79 117.46 124.92 3nnk n PHE 96 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 3nnk n PHE 96 Cb 0.49 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.33 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 0.00 -0.85 0.33 4.97 0.00 -1.26 -4.68 105.19 103.70 3nnk n GLY 97 Ca 0.00 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 45.09 3nnk n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3nnk h ARG 98 N 0.00 0.69 0.00 1.61 1.12 -1.95 -1.01 114.38 114.83 3nnk h ARG 98 Ca 0.00 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3nnk h ARG 98 Cb 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 29.80 3nnk h ARG 98 CO 0.00 0.46 0.00 0.74 -3.11 0.00 0.00 179.97 178.06 3nnk h PHE 99 N 0.71 0.00 -0.22 2.20 0.04 -1.98 -2.23 116.94 115.47 3nnk h PHE 99 Ca 0.50 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.17 3nnk h PHE 99 Cb 0.69 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 3nnk h PHE 99 CO -0.06 0.00 -0.28 0.78 -0.60 0.00 0.00 178.31 178.15 3nnk h GLY 100 N 3.39 0.46 1.27 -1.45 0.00 -1.53 -2.57 103.07 102.64 3nnk h GLY 100 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 47.33 46.75 3nnk h GLY 100 CO 0.00 0.35 -0.68 0.45 0.00 0.00 0.00 176.54 176.66 3nnk h HIS 101 N 0.37 0.96 -0.71 5.60 3.86 -1.42 -3.07 115.15 120.74 3nnk h HIS 101 Ca 0.05 -0.39 0.12 0.00 -1.16 0.00 0.00 60.37 58.99 3nnk h HIS 101 Cb 0.69 -0.16 -0.08 0.00 1.06 0.00 0.00 27.41 28.92 3nnk h HIS 101 CO 0.02 1.20 0.30 1.25 0.86 0.00 0.00 177.93 181.56 3nnk h LEU 102 N 0.53 0.33 -0.38 2.43 5.85 -1.33 -1.21 115.31 121.52 3nnk h LEU 102 Ca -0.02 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3nnk h LEU 102 Cb 1.28 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3nnk h LEU 102 CO 0.14 0.16 0.24 -0.07 -0.34 0.00 0.00 178.44 178.56 3nnk h LEU 103 N 0.49 0.45 -0.46 2.25 3.38 -1.47 -2.06 115.31 117.89 3nnk h LEU 103 Ca 0.37 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.36 3nnk h LEU 103 Cb 0.50 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3nnk h LEU 103 CO -0.34 0.36 0.18 0.00 0.09 0.00 0.00 178.44 178.73 3nnk h GLU 105 N 0.36 -0.27 -0.45 0.00 4.39 -1.09 0.21 114.58 117.72 3nnk h GLU 105 Ca 0.22 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.00 3nnk h GLU 105 Cb 0.20 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 3nnk h GLU 105 CO -0.21 -0.11 0.13 0.82 -1.16 0.00 0.00 179.01 178.48 3nnk h ILE 106 N -0.38 0.81 -0.54 3.13 2.04 -1.23 -1.05 117.51 120.30 3nnk h ILE 106 Ca -0.03 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.78 3nnk h ILE 106 Cb 0.29 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3nnk h ILE 106 CO 0.05 0.05 0.29 0.00 0.00 0.00 0.00 178.15 178.54 3nnk h ALA 107 N 1.31 0.70 -0.93 1.87 0.00 -1.00 -1.47 119.26 119.75 3nnk h ALA 107 Ca 0.21 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.26 3nnk h ALA 107 Cb 0.24 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 3nnk h ALA 107 CO -0.25 -0.04 0.56 -0.09 0.00 0.00 0.00 179.25 179.43 3nnk h ARG 108 N 0.56 0.84 0.00 0.00 2.43 0.45 -1.61 114.38 117.04 3nnk h ARG 108 Ca 0.23 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3nnk h ARG 108 Cb 0.12 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3nnk h ARG 108 CO -0.15 0.55 -0.26 0.54 -1.51 0.00 0.00 179.97 179.15 3nnk n ARG 109 N -4.71 0.05 -0.01 0.20 1.74 -0.50 -1.59 116.66 111.85 3nnk n ARG 109 Ca 0.18 0.02 0.14 0.00 -0.77 0.00 0.00 57.85 57.42 3nnk n ARG 109 Cb 0.36 -1.54 0.67 0.00 -1.02 0.00 0.00 32.46 30.93 3nnk n ARG 109 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk n ARG 111 N -0.41 -3.04 -3.35 0.00 1.74 -0.62 -4.09 116.66 106.89 3nnk n ARG 111 Ca 0.20 0.56 -0.32 0.00 -0.77 0.00 0.00 57.85 57.51 3nnk n ARG 111 Cb 0.21 -4.69 -0.06 0.00 -1.02 0.00 0.00 32.46 26.91 3nnk n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk s ALA 112 N -2.93 3.51 -0.55 7.54 0.00 -0.71 -0.31 121.76 128.31 3nnk s ALA 112 Ca 0.19 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.68 3nnk s ALA 112 Cb -0.08 -2.52 0.03 0.00 0.00 0.00 0.00 23.12 20.55 3nnk s ALA 112 CO 0.23 0.46 1.15 -2.00 0.00 0.00 0.00 175.76 175.61 3nnk s GLU 113 N -2.81 3.56 -0.44 0.00 2.12 -0.55 -4.51 118.70 116.07 3nnk s GLU 113 Ca 0.48 0.30 -0.20 0.00 0.36 0.00 0.00 54.97 55.92 3nnk s GLU 113 Cb -0.11 -3.98 0.02 0.00 0.26 0.00 0.00 34.13 30.32 3nnk s GLU 113 CO 0.20 -1.57 0.58 0.08 -0.54 0.00 0.00 175.26 174.01 3nnk s VAL 114 N 4.71 4.91 0.04 3.70 1.01 -1.26 -1.29 120.40 132.21 3nnk s VAL 114 Ca 0.43 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 3nnk s VAL 114 Cb -0.08 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3nnk s VAL 114 CO 0.27 -0.56 0.29 -1.00 0.00 0.00 0.00 175.10 174.10 3nnk s HIS 115 N 2.60 3.55 0.02 5.22 3.76 0.16 -4.99 115.29 125.61 3nnk s HIS 115 Ca 0.19 0.55 0.01 0.00 -0.15 0.00 0.00 55.06 55.66 3nnk s HIS 115 Cb -0.15 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.54 3nnk s HIS 115 CO 0.17 0.57 -0.04 0.95 -0.85 0.00 0.00 174.74 175.54 3nnk s THR 116 N -1.39 0.27 0.14 1.30 -4.23 -1.26 -0.45 115.64 110.02 3nnk s THR 116 Ca 0.31 -0.61 0.11 0.00 -1.18 0.00 0.00 61.69 60.31 3nnk s THR 116 Cb -0.13 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 3nnk s THR 116 CO 0.19 -0.23 -0.24 0.27 -0.54 0.00 0.00 174.62 174.07 3nnk s ILE 117 N -0.84 2.44 -0.04 2.99 -4.36 -1.07 -4.96 121.20 115.37 3nnk s ILE 117 Ca -0.07 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 3nnk s ILE 117 Cb -0.06 -2.11 0.02 0.00 1.25 0.00 0.00 42.46 41.56 3nnk s ILE 117 CO -0.00 0.04 -0.03 -1.61 0.24 0.00 0.00 174.94 173.58 3nnk s GLU 118 N -2.23 0.59 0.24 0.37 2.02 -1.26 -0.92 118.70 117.52 3nnk s GLU 118 Ca 0.17 -0.04 0.08 0.00 0.02 0.00 0.00 54.97 55.20 3nnk s GLU 118 Cb -0.10 -0.66 -0.04 0.00 0.10 0.00 0.00 34.13 33.43 3nnk s GLU 118 CO 0.08 -0.09 0.11 0.14 0.02 0.00 0.00 175.26 175.52 3nnk s VAL 119 N 0.88 4.06 0.67 2.63 -7.23 -1.12 -5.03 120.40 115.26 3nnk s VAL 119 Ca -0.10 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 58.40 3nnk s VAL 119 Cb -0.14 -3.16 -0.00 0.00 0.56 0.00 0.00 36.38 33.64 3nnk s VAL 119 CO -0.01 -0.31 1.06 -2.16 -0.31 0.00 0.00 175.10 173.38 3nnk s PRO 120 N -3.63 2.97 -0.04 4.82 0.04 -1.26 -4.62 135.00 133.27 3nnk s PRO 120 Ca 0.32 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 3nnk s PRO 120 Cb -0.08 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3nnk s PRO 120 CO 0.23 -1.08 1.27 -1.58 0.04 0.00 0.00 177.00 175.88 3nnk s TRP 121 N -2.81 3.06 -0.48 0.56 0.52 -1.26 0.13 118.94 118.66 3nnk s TRP 121 Ca 0.60 1.08 0.03 0.00 0.02 0.00 0.00 56.10 57.84 3nnk s TRP 121 Cb -0.15 -3.50 0.13 0.00 -1.15 0.00 0.00 33.47 28.79 3nnk s TRP 121 CO 0.49 -1.69 0.23 0.20 0.02 0.00 0.00 176.95 176.19 3nnk s GLY 122 N 1.63 2.20 0.52 0.98 0.00 -1.26 -4.99 107.32 106.41 3nnk s GLY 122 Ca 0.58 -3.01 0.02 0.00 0.00 0.00 0.00 44.72 42.31 3nnk s GLY 122 CO 0.23 1.13 0.09 -0.54 0.00 0.00 0.00 173.10 174.01 3nnk s GLU 123 N 0.02 2.22 0.20 2.90 2.02 0.12 -2.67 118.70 123.52 3nnk s GLU 123 Ca 0.16 -2.33 0.07 0.00 0.02 0.00 0.00 54.97 52.89 3nnk s GLU 123 Cb -0.25 -1.65 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 3nnk s GLU 123 CO -0.01 -0.43 -0.13 0.54 0.02 0.00 0.00 175.26 175.24 3nnk s VAL 124 N -2.86 1.65 0.12 2.63 0.11 -1.26 -4.86 120.40 115.92 3nnk s VAL 124 Ca 0.11 -2.18 -0.23 0.00 -2.93 0.00 0.00 61.98 56.74 3nnk s VAL 124 Cb 0.00 -2.06 -0.07 0.00 -1.53 0.00 0.00 36.38 32.72 3nnk s VAL 124 CO 0.06 -0.58 0.70 -0.36 -3.33 0.00 0.00 175.10 171.60 3nnk s PHE 125 N -3.03 3.86 0.28 1.54 0.08 -1.26 -5.00 117.98 114.45 3nnk s PHE 125 Ca 0.23 1.50 -0.21 0.00 0.12 0.00 0.00 56.93 58.56 3nnk s PHE 125 Cb 0.00 -2.68 -0.09 0.00 -0.57 0.00 0.00 43.02 39.68 3nnk s PHE 125 CO 0.07 0.52 0.81 0.99 -0.10 0.00 0.00 175.22 177.51 3nnk s THR 126 N -1.04 4.45 0.49 0.64 2.01 -1.26 -4.76 115.64 116.17 3nnk s THR 126 Ca 0.34 1.44 0.20 0.00 0.31 0.00 0.00 61.69 63.97 3nnk s THR 126 Cb -0.22 -3.86 0.36 0.00 0.01 0.00 0.00 72.50 68.79 3nnk s THR 126 CO 0.23 0.11 2.00 -0.65 -0.69 0.00 0.00 174.62 175.62 3nnk h PRO 127 N 3.12 0.17 0.05 4.92 0.11 -1.97 -2.56 132.00 135.85 3nnk h PRO 127 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3nnk h PRO 127 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3nnk h PRO 127 CO 0.65 0.11 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.08 3nnk h ASP 128 N 0.17 -0.06 -0.60 -2.05 3.32 -1.99 -2.84 116.42 112.38 3nnk h ASP 128 Ca 0.25 -0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.31 3nnk h ASP 128 Cb 0.76 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.25 3nnk h ASP 128 CO -0.04 0.06 0.19 1.56 -1.72 0.00 0.00 179.24 179.29 3nnk h GLN 129 N -0.18 0.34 -0.16 3.56 4.20 -1.86 0.19 115.11 121.20 3nnk h GLN 129 Ca -0.01 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 3nnk h GLN 129 Cb 0.15 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3nnk h GLN 129 CO 0.01 0.22 -0.56 -0.39 -0.67 0.00 0.00 178.83 177.45 3nnk h VAL 130 N 0.35 1.33 -0.13 -0.54 -1.51 -1.61 -2.29 116.25 111.85 3nnk h VAL 130 Ca 0.31 -1.82 -0.12 0.00 -1.23 0.00 0.00 66.70 63.84 3nnk h VAL 130 Cb 0.42 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 3nnk h VAL 130 CO -0.34 0.56 -0.43 -0.08 -1.23 0.00 0.00 177.57 176.05 3nnk h GLU 131 N 0.38 0.31 -0.35 5.19 4.81 -1.05 0.19 114.58 124.06 3nnk h GLU 131 Ca 0.01 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3nnk h GLU 131 Cb 1.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 3nnk h GLU 131 CO 0.10 0.69 0.23 -0.44 -0.73 0.00 0.00 179.01 178.86 3nnk h ASP 132 N 0.26 0.40 -0.27 1.04 3.45 -0.53 -0.17 116.42 120.60 3nnk h ASP 132 Ca 0.02 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 3nnk h ASP 132 Cb 0.87 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.53 3nnk h ASP 132 CO 0.07 0.29 0.04 0.00 -1.57 0.00 0.00 179.24 178.07 3nnk h ALA 133 N 1.12 0.36 -0.59 3.45 0.00 -1.02 -2.10 119.26 120.48 3nnk h ALA 133 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3nnk h ALA 133 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3nnk h ALA 133 CO -0.03 0.05 0.38 0.28 0.00 0.00 0.00 179.25 179.94 3nnk h VAL 134 N 0.26 1.12 -0.75 0.00 2.07 -0.56 -1.33 116.25 117.07 3nnk h VAL 134 Ca 0.08 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3nnk h VAL 134 Cb 0.34 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 3nnk h VAL 134 CO 0.01 0.14 0.40 0.11 0.02 0.00 0.00 177.57 178.25 3nnk h LYS 135 N 0.77 0.66 0.35 1.57 1.57 -0.95 -2.37 116.57 118.17 3nnk h LYS 135 Ca 0.23 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3nnk h LYS 135 Cb -0.05 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.11 3nnk h LYS 135 CO -0.07 0.44 -0.17 0.00 -0.57 0.00 0.00 179.45 179.08 3nnk h ARG 136 N 0.68 -0.45 -0.02 3.15 3.08 -0.61 -3.39 114.38 116.82 3nnk h ARG 136 Ca 0.36 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3nnk h ARG 136 Cb 0.35 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3nnk h ARG 136 CO -0.25 -0.30 -0.30 0.44 -1.07 0.00 0.00 179.97 178.48 3nnk n ILE 137 N -3.82 0.00 -3.70 2.04 -0.00 -0.59 -5.02 119.36 108.27 3nnk n ILE 137 Ca -0.06 -0.32 -0.31 0.00 -0.00 0.00 0.00 62.75 62.07 3nnk n ILE 137 Cb 0.19 1.24 0.03 0.00 -0.00 0.00 0.00 39.64 41.09 3nnk n ILE 137 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3nnk n ARG 138 N 0.35 -1.11 -1.85 6.28 3.00 -0.89 -4.95 116.66 117.49 3nnk n ARG 138 Ca 0.11 0.52 -0.31 0.00 -0.01 0.00 0.00 57.85 58.16 3nnk n ARG 138 Cb 0.49 -3.78 0.02 0.00 0.00 0.00 0.00 32.46 29.19 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 -5.83 3.38 0.13 5.56 0.04 -1.26 -4.92 135.00 132.11 3nnk s PRO 139 Ca 0.38 0.90 -0.09 0.00 0.04 0.00 0.00 61.00 62.23 3nnk s PRO 139 Cb -0.15 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 3nnk s PRO 139 CO 0.87 -0.75 1.38 -0.09 0.04 0.00 0.00 177.00 178.46 3nnk h ARG 140 N -0.22 0.71 -5.68 4.56 2.43 -1.71 -3.43 114.38 111.04 3nnk h ARG 140 Ca -0.45 -0.53 -0.51 0.00 -0.81 0.00 0.00 59.98 57.68 3nnk h ARG 140 Cb 1.20 0.10 -0.25 0.00 -0.42 0.00 0.00 29.97 30.59 3nnk h ARG 140 CO 0.60 1.15 -0.82 -0.51 -1.51 0.00 0.00 179.97 178.88 3nnk s LEU 141 N -8.38 2.17 -0.33 3.80 2.01 -1.24 -0.59 118.68 116.12 3nnk s LEU 141 Ca -0.09 -0.49 -0.07 0.00 0.01 0.00 0.00 54.13 53.49 3nnk s LEU 141 Cb 0.10 -0.78 0.03 0.00 0.01 0.00 0.00 46.19 45.55 3nnk s LEU 141 CO 0.88 0.09 0.10 -0.22 1.01 0.00 0.00 176.35 178.22 3nnk s LEU 142 N -1.17 4.21 -0.43 1.79 2.96 0.60 -1.92 118.68 124.72 3nnk s LEU 142 Ca 0.04 -1.01 -0.12 0.00 -0.22 0.00 0.00 54.13 52.83 3nnk s LEU 142 Cb -0.08 -1.88 0.07 0.00 0.50 0.00 0.00 46.19 44.79 3nnk s LEU 142 CO 0.02 -0.29 0.30 -0.76 -1.32 0.00 0.00 176.35 174.29 3nnk s LEU 143 N 1.44 5.26 0.14 -0.68 1.43 0.35 -2.25 118.68 124.36 3nnk s LEU 143 Ca -0.00 -1.37 0.11 0.00 -1.03 0.00 0.00 54.13 51.84 3nnk s LEU 143 Cb -0.19 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3nnk s LEU 143 CO 0.03 -0.55 -0.26 0.42 0.23 0.00 0.00 176.35 176.22 3nnk s THR 144 N 1.52 2.32 -0.04 5.49 -4.23 -1.03 -3.85 115.64 115.82 3nnk s THR 144 Ca 0.03 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.65 3nnk s THR 144 Cb -0.23 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 3nnk s THR 144 CO 0.04 0.07 0.32 -0.69 -0.54 0.00 0.00 174.62 173.82 3nnk s VAL 145 N -1.13 5.18 -0.07 2.29 1.01 -1.26 -1.05 120.40 125.36 3nnk s VAL 145 Ca 0.15 0.64 -0.02 0.00 0.00 0.00 0.00 61.98 62.75 3nnk s VAL 145 Cb -0.10 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3nnk s VAL 145 CO 0.07 0.59 -0.05 -0.61 0.00 0.00 0.00 175.10 175.10 3nnk h GLN 146 N 4.79 0.00 -5.04 2.72 4.15 -1.77 -3.42 115.11 116.54 3nnk h GLN 146 Ca -0.53 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.24 3nnk h GLN 146 Cb 1.22 0.00 -0.27 0.00 0.21 0.00 0.00 27.48 28.64 3nnk h GLN 146 CO 0.60 0.00 -0.72 0.20 -1.93 0.00 0.00 178.83 176.98 3nnk s GLY 147 N -3.21 1.61 -0.37 2.39 0.00 -1.26 -0.13 107.32 106.35 3nnk s GLY 147 Ca -0.04 -1.12 -0.06 0.00 0.00 0.00 0.00 44.72 43.51 3nnk s GLY 147 CO 0.06 0.35 0.15 -0.35 0.00 0.00 0.00 173.10 173.30 3nnk s ASP 148 N 1.31 5.31 0.37 1.64 -1.08 -0.87 -4.42 116.67 118.94 3nnk s ASP 148 Ca 0.04 -1.45 0.27 0.00 -0.52 0.00 0.00 52.55 50.88 3nnk s ASP 148 Cb -0.14 -1.86 1.30 0.00 -1.46 0.00 0.00 42.92 40.75 3nnk s ASP 148 CO -0.02 -0.42 1.81 0.71 0.52 0.00 0.00 175.17 177.77 3nnk h THR 149 N 6.24 0.00 0.00 1.71 1.35 -1.93 0.18 112.91 120.46 3nnk h THR 149 Ca -0.21 -0.13 -0.09 0.00 -0.55 0.00 0.00 66.41 65.43 3nnk h THR 149 Cb 1.07 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 3nnk h THR 149 CO 0.65 0.00 -0.41 0.77 -0.25 0.00 0.00 175.52 176.28 3nnk h SER 150 N 0.00 0.00 0.00 5.36 4.64 -1.97 -3.31 113.55 118.27 3nnk h SER 150 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nnk h SER 150 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3nnk h SER 150 CO 0.00 0.41 0.00 0.35 -0.87 0.00 0.00 176.83 176.72 3nnk n THR 151 N -3.45 0.00 -1.02 2.95 -2.24 -0.89 -4.96 114.28 104.67 3nnk n THR 151 Ca 0.00 -0.41 -0.01 0.00 -2.27 0.00 0.00 64.05 61.37 3nnk n THR 151 Cb 0.57 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.30 0.00 -3.28 4.28 -2.24 0.59 -4.69 114.28 108.63 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 0.03 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 67.34 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 -1.72 4.11 -0.22 -0.78 -1.94 -1.20 -0.44 119.30 117.11 3nnk s MET 153 Ca 0.00 0.65 -0.03 0.00 -1.71 0.00 0.00 55.69 54.59 3nnk s MET 153 Cb 0.00 -3.04 -0.01 0.00 2.01 0.00 0.00 34.83 33.79 3nnk s MET 153 CO 0.00 0.53 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.31 3nnk s LEU 154 N -1.63 2.83 -0.14 -0.03 1.98 0.17 -2.06 118.68 119.80 3nnk s LEU 154 Ca 0.35 -0.41 -0.26 0.00 -2.89 0.00 0.00 54.13 50.92 3nnk s LEU 154 Cb -0.17 -1.72 -0.02 0.00 0.66 0.00 0.00 46.19 44.95 3nnk s LEU 154 CO 0.19 -0.01 0.84 -1.58 -1.89 0.00 0.00 176.35 173.90 3nnk s GLN 155 N 1.44 4.34 -0.37 1.98 2.00 0.81 -4.81 119.66 125.04 3nnk s GLN 155 Ca 0.05 1.06 -0.28 0.00 -2.00 0.00 0.00 55.36 54.20 3nnk s GLN 155 Cb -0.14 -3.55 -0.03 0.00 0.80 0.00 0.00 33.01 30.09 3nnk s GLN 155 CO -0.04 -0.27 1.93 -2.14 -0.50 0.00 0.00 175.29 174.27 3nnk s PRO 156 N 1.94 3.08 0.00 1.67 0.02 -1.26 -4.84 135.00 135.60 3nnk s PRO 156 Ca 0.40 1.39 0.26 0.00 0.02 0.00 0.00 61.00 63.07 3nnk s PRO 156 Cb -0.17 -4.29 0.59 0.00 0.02 0.00 0.00 34.50 30.65 3nnk s PRO 156 CO 0.14 -2.16 1.46 1.28 -0.33 0.00 0.00 177.00 177.39 3nnk n LEU 157 N 11.40 1.37 0.06 -5.54 4.32 -1.26 -4.54 117.00 122.81 3nnk n LEU 157 Ca 0.25 -0.42 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 3nnk n LEU 157 Cb 0.48 -0.08 0.31 0.00 -1.62 0.00 0.00 43.42 42.51 3nnk n LEU 157 CO 0.69 0.25 0.85 0.00 -1.22 0.00 0.00 177.39 177.95 3nnk h ALA 158 N 3.82 1.35 -0.01 -1.18 0.00 -1.92 -3.12 119.26 118.20 3nnk h ALA 158 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3nnk h ALA 158 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3nnk h ALA 158 CO 0.00 0.44 -0.31 0.39 0.00 0.00 0.00 179.25 179.77 3nnk n GLU 159 N -4.22 1.57 0.05 0.00 1.02 -1.26 -4.46 120.64 113.34 3nnk n GLU 159 Ca -0.00 -0.97 -0.06 0.00 -0.02 0.00 0.00 57.16 56.10 3nnk n GLU 159 Cb 0.31 -1.33 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 3nnk n GLU 159 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3nnk h LEU 160 N 2.22 0.00 -0.72 -4.62 4.07 -1.81 -3.26 115.31 111.19 3nnk h LEU 160 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 3nnk h LEU 160 Cb 0.63 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 3nnk h LEU 160 CO 0.00 0.94 0.28 1.23 -1.08 0.00 0.00 178.44 179.82 3nnk h GLY 161 N 3.15 1.15 1.45 0.83 0.00 -1.67 -0.59 103.07 107.39 3nnk h GLY 161 Ca -0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 3nnk h GLY 161 CO 0.11 0.59 -0.11 0.83 0.00 0.00 0.00 176.54 177.97 3nnk h GLU 162 N 1.03 0.65 -0.27 4.80 4.39 -1.81 -0.27 114.58 123.11 3nnk h GLU 162 Ca 0.24 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3nnk h GLU 162 Cb 0.21 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3nnk h GLU 162 CO -0.02 0.75 0.07 0.82 -1.16 0.00 0.00 179.01 179.47 3nnk h ILE 163 N 0.60 1.21 -0.74 3.13 2.04 -1.50 -0.31 117.51 121.95 3nnk h ILE 163 Ca 0.11 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 3nnk h ILE 163 Cb 0.54 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3nnk h ILE 163 CO 0.03 0.23 0.26 0.00 0.00 0.00 0.00 178.15 178.67 3nnk h ARG 165 N 1.07 0.62 -0.59 0.00 1.12 -0.91 0.31 114.38 116.00 3nnk h ARG 165 Ca 0.24 -0.17 -0.08 0.00 -1.11 0.00 0.00 59.98 58.86 3nnk h ARG 165 Cb 0.26 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 3nnk h ARG 165 CO -0.01 0.69 0.07 0.00 -3.11 0.00 0.00 179.97 177.61 3nnk h ARG 166 N 0.57 0.98 -0.52 0.20 3.08 -0.78 -3.19 114.38 114.72 3nnk h ARG 166 Ca 0.11 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3nnk h ARG 166 Cb 0.48 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3nnk h ARG 166 CO 0.03 0.92 0.00 0.66 -1.07 0.00 0.00 179.97 180.51 3nnk n TYR 167 N -4.22 0.69 -3.77 3.04 4.01 -1.06 -4.98 117.16 110.88 3nnk n TYR 167 Ca 0.04 -0.48 -0.23 0.00 -0.16 0.00 0.00 57.90 57.07 3nnk n TYR 167 Cb 0.29 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.09 -1.74 -4.88 7.72 4.64 -0.05 -5.01 116.55 118.32 3nnk n ASP 168 Ca 0.18 -0.83 -0.36 0.00 -1.38 0.00 0.00 54.79 52.40 3nnk n ASP 168 Cb 0.52 -3.91 -0.06 0.00 -1.04 0.00 0.00 41.12 36.63 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 -3.63 3.87 0.22 -1.67 0.00 0.88 -4.94 121.76 116.49 3nnk s ALA 169 Ca 0.13 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 3nnk s ALA 169 Cb -0.06 -2.02 -0.08 0.00 0.00 0.00 0.00 23.12 20.95 3nnk s ALA 169 CO 0.82 0.64 0.95 -0.51 0.00 0.00 0.00 175.76 177.66 3nnk s LEU 170 N -1.44 4.62 -0.27 0.00 1.43 0.25 -4.42 118.68 118.86 3nnk s LEU 170 Ca 0.22 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 55.24 3nnk s LEU 170 Cb -0.13 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3nnk s LEU 170 CO 0.11 0.11 -0.05 0.12 0.23 0.00 0.00 176.35 176.88 3nnk s PHE 171 N -0.96 3.15 0.10 0.29 5.36 -1.26 -0.29 117.98 124.36 3nnk s PHE 171 Ca 0.42 -1.77 0.09 0.00 -0.96 0.00 0.00 56.93 54.71 3nnk s PHE 171 Cb -0.26 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 3nnk s PHE 171 CO 0.32 -0.78 -0.21 -0.47 -1.46 0.00 0.00 175.22 172.62 3nnk s TYR 172 N 1.27 2.46 0.01 10.12 6.14 -0.96 0.30 117.35 136.68 3nnk s TYR 172 Ca -0.03 -0.31 0.01 0.00 0.64 0.00 0.00 57.07 57.38 3nnk s TYR 172 Cb -0.18 -1.35 -0.01 0.00 0.42 0.00 0.00 41.96 40.84 3nnk s TYR 172 CO -0.04 0.31 -0.03 -0.08 0.64 0.00 0.00 175.55 176.36 3nnk s THR 173 N -1.03 0.20 -0.56 4.34 -1.32 -0.59 -2.46 115.64 114.22 3nnk s THR 173 Ca 0.15 -0.31 -0.20 0.00 -1.21 0.00 0.00 61.69 60.12 3nnk s THR 173 Cb -0.10 -0.21 0.07 0.00 -1.51 0.00 0.00 72.50 70.75 3nnk s THR 173 CO 0.07 -0.08 0.74 -0.62 -2.21 0.00 0.00 174.62 172.52 3nnk s ASP 174 N -0.41 6.21 -0.32 8.08 2.15 -0.22 -2.36 116.67 129.80 3nnk s ASP 174 Ca -0.03 -1.04 0.08 0.00 0.43 0.00 0.00 52.55 51.99 3nnk s ASP 174 Cb -0.03 -2.33 0.55 0.00 -0.30 0.00 0.00 42.92 40.81 3nnk s ASP 174 CO -0.00 -1.09 1.56 0.00 -0.17 0.00 0.00 175.17 175.47 3nnk n ALA 175 N 6.59 4.51 -0.05 3.66 0.00 -0.48 -2.15 120.51 132.59 3nnk n ALA 175 Ca -0.06 -3.03 -0.01 0.00 0.00 0.00 0.00 53.44 50.34 3nnk n ALA 175 Cb 0.45 -0.89 0.27 0.00 0.00 0.00 0.00 19.45 19.27 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 1.09 1.20 0.00 0.00 1.35 -1.85 -0.85 112.91 113.85 3nnk h THR 176 Ca 0.29 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3nnk h THR 176 Cb 1.91 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3nnk h THR 176 CO 0.53 0.26 -0.57 0.00 -0.25 0.00 0.00 175.52 175.50 3nnk h ALA 177 N 1.47 0.70 0.00 6.62 0.00 -1.84 -3.39 119.26 122.81 3nnk h ALA 177 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3nnk h ALA 177 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3nnk h ALA 177 CO 0.00 0.00 -1.53 -1.13 0.00 0.00 0.00 179.25 176.59 3nnk n SER 178 N -2.69 3.00 -4.71 0.00 3.41 -1.08 -4.70 113.62 106.85 3nnk n SER 178 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.20 3nnk n SER 178 Cb 0.52 0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 65.29 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 -2.20 3.76 0.00 1.04 7.94 -0.34 -0.57 117.00 126.63 3nnk n LEU 179 Ca -0.11 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 3nnk n LEU 179 Cb 0.66 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 43.10 3nnk n LEU 179 CO 0.17 -0.25 0.00 0.61 -1.11 0.00 0.00 177.39 176.81 3nnk n GLY 180 N 1.51 2.95 0.00 -3.96 0.00 -1.26 -4.49 105.19 99.94 3nnk n GLY 180 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.85 3.16 -0.02 0.00 -0.59 -4.10 105.19 102.49 3nnk n GLY 181 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3nnk n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nnk s ASN 182 N -0.61 0.09 0.23 1.61 0.01 0.27 -4.65 114.94 111.88 3nnk s ASN 182 Ca 0.00 -0.44 -0.31 0.00 -0.71 0.00 0.00 52.86 51.39 3nnk s ASN 182 Cb 0.00 0.27 -0.11 0.00 0.41 0.00 0.00 41.25 41.82 3nnk s ASN 182 CO 0.00 -0.56 1.66 -2.84 -1.51 0.00 0.00 177.10 173.85 3nnk s PRO 183 N -2.70 4.14 -0.29 -0.60 0.02 -1.26 -4.65 135.00 129.66 3nnk s PRO 183 Ca -0.04 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 63.53 3nnk s PRO 183 Cb -0.01 -3.07 0.13 0.00 0.02 0.00 0.00 34.50 31.58 3nnk s PRO 183 CO -0.05 -0.69 0.28 -1.17 -0.33 0.00 0.00 177.00 175.05 3nnk s LEU 184 N 0.67 -0.15 -0.79 -5.54 2.96 -1.26 -5.02 118.68 109.55 3nnk s LEU 184 Ca 0.70 -0.86 -0.14 0.00 -0.22 0.00 0.00 54.13 53.61 3nnk s LEU 184 Cb -0.48 0.42 0.21 0.00 0.50 0.00 0.00 46.19 46.84 3nnk s LEU 184 CO 0.37 -0.39 0.74 -1.61 -1.32 0.00 0.00 176.35 174.13 3nnk s GLU 185 N 2.28 3.52 0.11 1.98 0.41 -1.26 -4.50 118.70 121.23 3nnk s GLU 185 Ca 0.10 -2.35 -0.28 0.00 -0.41 0.00 0.00 54.97 52.03 3nnk s GLU 185 Cb -0.14 -4.42 -0.09 0.00 -1.78 0.00 0.00 34.13 27.70 3nnk s GLU 185 CO -0.31 -1.30 1.62 1.15 -0.49 0.00 0.00 175.26 175.93 3nnk h THR 186 N 4.95 0.35 -0.15 3.63 2.02 -1.55 -2.07 112.91 120.08 3nnk h THR 186 Ca 0.05 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.04 3nnk h THR 186 Cb 1.05 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3nnk h THR 186 CO 0.80 0.00 -0.65 0.44 0.37 0.00 0.00 175.52 176.48 3nnk h ASP 187 N -0.53 0.84 0.38 4.18 5.19 -1.82 -2.32 116.42 122.34 3nnk h ASP 187 Ca 0.03 -0.62 -0.10 0.00 -0.62 0.00 0.00 57.03 55.72 3nnk h ASP 187 Cb 0.55 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3nnk h ASP 187 CO -0.17 1.32 -0.45 0.58 -3.12 0.00 0.00 179.24 177.41 3nnk h VAL 188 N 0.42 1.32 -0.46 -1.35 2.07 -1.84 -2.85 116.25 113.57 3nnk h VAL 188 Ca -0.04 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.92 3nnk h VAL 188 Cb 1.28 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3nnk h VAL 188 CO 0.14 0.45 0.00 0.79 0.02 0.00 0.00 177.57 178.97 3nnk n TRP 189 N -4.00 0.70 -1.37 1.57 8.01 -0.78 -4.94 117.44 116.63 3nnk n TRP 189 Ca -0.02 -0.33 -0.13 0.00 -1.31 0.00 0.00 57.50 55.72 3nnk n TRP 189 Cb 0.48 -0.04 -0.06 0.00 -2.01 0.00 0.00 31.31 29.69 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 1.15 1.34 3.77 6.99 0.00 -1.08 -3.69 105.19 113.67 3nnk n GLY 190 Ca 0.16 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.93 4.39 -0.13 0.99 1.43 -0.88 -4.77 118.68 116.78 3nnk s LEU 191 Ca 0.00 2.81 0.18 0.00 -1.03 0.00 0.00 54.13 56.08 3nnk s LEU 191 Cb 0.00 -3.65 -0.25 0.00 0.03 0.00 0.00 46.19 42.31 3nnk s LEU 191 CO 0.00 -0.65 0.18 0.47 0.23 0.00 0.00 176.35 176.58 3nnk n ASP 192 N 0.75 0.45 -3.72 2.29 8.00 0.15 -4.67 116.55 119.80 3nnk n ASP 192 Ca 0.01 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 3nnk n ASP 192 Cb 0.41 1.26 -0.10 0.00 -0.02 0.00 0.00 41.12 42.67 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 -2.75 -1.05 -0.02 2.24 0.00 -0.81 0.61 121.76 119.99 3nnk s ALA 193 Ca -0.09 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.16 3nnk s ALA 193 Cb 0.08 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3nnk s ALA 193 CO 0.78 -0.21 -0.06 0.08 0.00 0.00 0.00 175.76 176.34 3nnk s VAL 194 N 0.49 0.54 -0.02 0.00 1.01 -0.59 -1.53 120.40 120.29 3nnk s VAL 194 Ca -0.02 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.79 3nnk s VAL 194 Cb -0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 3nnk s VAL 194 CO -0.02 0.18 -0.19 -0.94 0.00 0.00 0.00 175.10 174.13 3nnk s SER 195 N 0.28 2.25 0.00 3.32 1.04 -0.99 -1.51 113.70 118.09 3nnk s SER 195 Ca -0.03 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3nnk s SER 195 Cb -0.08 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.67 3nnk s SER 195 CO -0.00 0.21 0.00 0.00 0.98 0.00 0.00 173.24 174.43 3nnk n ALA 196 N 2.77 0.00 -3.20 5.32 0.00 0.40 -1.38 120.51 124.42 3nnk n ALA 196 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 3nnk n ALA 196 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 3nnk n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nnk s GLY 197 N -0.63 0.11 -0.11 0.00 0.00 -1.26 -3.99 107.32 101.44 3nnk s GLY 197 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 44.72 44.18 3nnk s GLY 197 CO 0.00 -0.42 0.43 -0.33 0.00 0.00 0.00 173.10 172.79 3nnk h MET 198 N 2.26 0.29 -1.66 2.90 0.00 -1.82 -3.43 114.93 113.48 3nnk h MET 198 Ca -0.28 -0.49 0.00 0.00 0.00 0.00 0.00 59.70 58.93 3nnk h MET 198 Cb 1.25 0.18 0.00 0.00 0.00 0.00 0.00 31.60 33.04 3nnk h MET 198 CO 0.38 1.23 0.00 0.00 0.00 0.00 0.00 176.91 178.53 3nnk n GLN 199 N -3.56 0.81 0.08 1.72 0.00 -1.25 -1.59 117.38 113.59 3nnk n GLN 199 Ca -0.30 0.00 0.04 0.00 0.00 0.00 0.00 57.00 56.73 3nnk n GLN 199 Cb 1.04 -1.10 0.19 0.00 0.00 0.00 0.00 30.24 30.37 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 0.53 -2.93 0.00 4.07 -1.79 -3.31 115.31 111.86 3nnk h LEU 202 Ca 0.00 -0.63 -0.00 0.00 0.08 0.00 0.00 57.88 57.33 3nnk h LEU 202 Cb 0.43 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3nnk h LEU 202 CO 0.00 1.51 -0.02 0.61 -1.08 0.00 0.00 178.44 179.46 3nnk n GLY 203 N 1.65 0.85 0.00 0.83 0.00 -0.62 -4.71 105.19 103.19 3nnk n GLY 203 Ca -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -1.47 0.41 3.87 -0.02 0.00 -1.26 -1.11 105.19 105.62 3nnk n GLY 204 Ca -0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 3.61 0.76 1.61 0.04 -1.26 -3.87 135.00 135.88 3nnk s PRO 205 Ca 0.00 0.02 -0.14 0.00 0.04 0.00 0.00 61.00 60.91 3nnk s PRO 205 Cb 0.00 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.45 3nnk s PRO 205 CO 0.00 0.69 1.21 -1.54 0.04 0.00 0.00 177.00 177.40 3nnk s SER 206 N -1.37 3.99 0.00 6.66 1.04 -1.26 -4.39 113.70 118.37 3nnk s SER 206 Ca 0.23 2.37 0.00 0.00 0.48 0.00 0.00 55.95 59.03 3nnk s SER 206 Cb -0.14 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3nnk s SER 206 CO 0.12 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.55 3nnk n GLY 207 N 0.44 0.07 2.96 7.32 0.00 -1.26 -4.98 105.19 109.74 3nnk n GLY 207 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3nnk n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nnk s THR 208 N -0.72 0.02 -0.26 2.61 2.01 -0.91 -2.50 115.64 115.89 3nnk s THR 208 Ca 0.00 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.83 3nnk s THR 208 Cb 0.00 -0.15 0.07 0.00 0.01 0.00 0.00 72.50 72.43 3nnk s THR 208 CO 0.00 -0.10 -0.00 -0.55 -0.69 0.00 0.00 174.62 173.28 3nnk s SER 209 N -0.29 3.94 0.08 3.53 0.15 -0.43 -3.78 113.70 116.91 3nnk s SER 209 Ca -0.03 -1.37 -0.31 0.00 0.70 0.00 0.00 55.95 54.94 3nnk s SER 209 Cb -0.02 -1.14 -0.07 0.00 -1.71 0.00 0.00 66.02 63.08 3nnk s SER 209 CO 0.00 -0.29 1.27 -2.84 1.20 0.00 0.00 173.24 172.58 3nnk s PRO 210 N 1.40 4.39 0.09 5.44 0.02 -1.26 -0.49 135.00 144.60 3nnk s PRO 210 Ca -0.00 1.89 0.06 0.00 0.02 0.00 0.00 61.00 62.97 3nnk s PRO 210 Cb -0.18 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.00 3nnk s PRO 210 CO -0.10 -0.32 -0.15 0.96 -0.33 0.00 0.00 177.00 177.05 3nnk s ILE 211 N 1.05 1.25 -0.01 2.83 -4.36 -0.02 -0.45 121.20 121.48 3nnk s ILE 211 Ca 0.61 -1.43 0.01 0.00 -0.26 0.00 0.00 60.65 59.58 3nnk s ILE 211 Cb -0.32 -1.24 0.00 0.00 1.25 0.00 0.00 42.46 42.15 3nnk s ILE 211 CO 0.30 -0.24 -0.05 0.28 0.24 0.00 0.00 174.94 175.47 3nnk s THR 212 N -1.44 0.42 -0.04 8.37 -1.32 -0.57 -1.16 115.64 119.89 3nnk s THR 212 Ca 0.02 -0.18 0.05 0.00 -1.21 0.00 0.00 61.69 60.37 3nnk s THR 212 Cb -0.09 -0.39 -0.00 0.00 -1.51 0.00 0.00 72.50 70.50 3nnk s THR 212 CO 0.03 0.14 -0.18 -0.76 -2.21 0.00 0.00 174.62 171.64 3nnk s LEU 213 N 0.20 1.94 0.73 9.08 1.43 -0.66 -1.54 118.68 129.86 3nnk s LEU 213 Ca -0.02 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3nnk s LEU 213 Cb -0.06 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.16 3nnk s LEU 213 CO -0.00 0.17 1.07 -0.94 0.23 0.00 0.00 176.35 176.88 3nnk s SER 214 N -0.01 5.05 0.45 2.29 1.04 0.20 -4.34 113.70 118.38 3nnk s SER 214 Ca -0.03 1.61 0.18 0.00 0.48 0.00 0.00 55.95 58.19 3nnk s SER 214 Cb -0.12 -2.43 1.13 0.00 0.10 0.00 0.00 66.02 64.71 3nnk s SER 214 CO 0.02 -1.66 1.93 0.00 0.98 0.00 0.00 173.24 174.52 3nnk h ALA 215 N -0.87 2.21 -0.25 5.32 0.00 -1.95 -0.16 119.26 123.57 3nnk h ALA 215 Ca -0.44 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 3nnk h ALA 215 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3nnk h ALA 215 CO 0.56 -0.41 -0.60 -0.09 0.00 0.00 0.00 179.25 178.71 3nnk h ARG 216 N 0.32 0.82 -0.71 0.00 2.43 -1.94 -3.24 114.38 112.06 3nnk h ARG 216 Ca 0.35 -0.55 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3nnk h ARG 216 Cb 0.91 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 3nnk h ARG 216 CO -0.09 1.17 0.43 0.52 -1.51 0.00 0.00 179.97 180.49 3nnk h MET 217 N 0.61 0.97 -0.05 0.20 2.86 -1.31 -2.89 114.93 115.32 3nnk h MET 217 Ca 0.00 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 3nnk h MET 217 Cb 1.20 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 3nnk h MET 217 CO 0.13 0.68 -0.62 1.05 1.06 0.00 0.00 176.91 179.20 3nnk h GLU 218 N 0.98 0.17 -0.30 1.72 4.11 -1.48 -2.62 114.58 117.16 3nnk h GLU 218 Ca 0.26 -0.12 0.03 0.00 0.07 0.00 0.00 59.36 59.59 3nnk h GLU 218 Cb -0.04 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3nnk h GLU 218 CO -0.05 0.74 0.11 1.49 0.07 0.00 0.00 179.01 181.37 3nnk h GLU 219 N 0.13 0.24 -0.77 1.06 4.81 -1.53 0.91 114.58 119.42 3nnk h GLU 219 Ca -0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3nnk h GLU 219 Cb 1.12 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3nnk h GLU 219 CO 0.09 0.16 0.46 0.00 -0.73 0.00 0.00 179.01 179.00 3nnk h ALA 220 N 1.18 0.99 -0.15 2.92 0.00 -1.49 -0.01 119.26 122.69 3nnk h ALA 220 Ca 0.13 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 220 Cb 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3nnk h ALA 220 CO -0.13 0.46 -0.67 0.82 0.00 0.00 0.00 179.25 179.73 3nnk h ILE 221 N 1.06 1.33 -0.02 0.00 2.04 -1.07 -3.15 117.51 117.69 3nnk h ILE 221 Ca 0.28 -1.95 -0.07 0.00 1.00 0.00 0.00 64.86 64.11 3nnk h ILE 221 Cb -0.04 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3nnk h ILE 221 CO -0.05 0.60 -0.34 0.03 0.00 0.00 0.00 178.15 178.40 3nnk h ARG 222 N 0.43 0.05 0.00 2.37 -0.00 0.11 -1.79 114.38 115.55 3nnk h ARG 222 Ca -0.02 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.44 3nnk h ARG 222 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.22 3nnk h ARG 222 CO 0.13 0.38 -0.00 0.00 0.00 0.00 0.00 179.97 180.48 3nnk h ARG 223 N 0.04 0.00 -0.17 0.04 3.08 -0.96 -2.32 114.38 114.09 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 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3nnk h ARG 223 CO 0.05 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.49 3nnk n ARG 224 N -3.22 2.08 -1.69 0.04 5.12 -0.67 -2.15 116.66 116.18 3nnk n ARG 224 Ca -0.03 -1.61 -0.66 0.00 -1.93 0.00 0.00 57.85 53.63 3nnk n ARG 224 Cb 0.08 -1.46 -0.10 0.00 -1.16 0.00 0.00 32.46 29.82 3nnk n ARG 224 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3nnk n LYS 225 N 0.87 0.00 -3.22 5.56 3.00 -0.88 -4.29 118.16 119.20 3nnk n LYS 225 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.47 3nnk n LYS 225 Cb 0.48 -1.46 -0.03 0.00 0.00 0.00 0.00 35.03 34.01 3nnk n LYS 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3nnk s VAL 227 N 2.72 5.31 0.16 0.00 1.01 -1.26 -4.95 120.40 123.40 3nnk s VAL 227 Ca 0.15 0.50 -0.34 0.00 0.00 0.00 0.00 61.98 62.29 3nnk s VAL 227 Cb -0.14 -3.60 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 3nnk s VAL 227 CO -0.22 0.43 1.29 1.21 0.00 0.00 0.00 175.10 177.80 3nnk n GLU 228 N 3.30 1.39 0.25 2.72 0.00 -1.26 -4.59 120.64 122.44 3nnk n GLU 228 Ca -0.13 0.50 0.18 0.00 0.00 0.00 0.00 57.16 57.70 3nnk n GLU 228 Cb 0.52 -2.09 0.84 0.00 0.00 0.00 0.00 31.44 30.71 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 4.06 0.00 -0.06 5.31 -0.00 -1.95 0.52 114.58 122.47 3nnk h GLU 229 Ca -0.45 0.00 -0.22 0.00 -0.00 0.00 0.00 59.36 58.69 3nnk h GLU 229 Cb 1.32 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.08 3nnk h GLU 229 CO 0.75 0.00 -0.86 0.78 -0.00 0.00 0.00 179.01 179.68 3nnk h GLY 230 N 0.00 0.60 -0.96 1.06 0.00 -2.01 -3.34 103.07 98.42 3nnk h GLY 230 Ca 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.45 3nnk h GLY 230 CO -0.00 0.84 0.00 0.29 0.00 0.00 0.00 176.54 177.67 3nnk n ILE 231 N -3.83 0.83 -2.47 2.60 -5.35 -0.21 -5.02 119.36 105.90 3nnk n ILE 231 Ca -0.07 -0.92 -0.36 0.00 -0.27 0.00 0.00 62.75 61.13 3nnk n ILE 231 Cb 0.79 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 39.27 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 -0.95 4.00 0.29 6.28 3.52 0.01 -4.93 118.95 127.16 3nnk s ARG 232 Ca 0.17 1.56 0.04 0.00 -0.13 0.00 0.00 55.73 57.37 3nnk s ARG 232 Cb 0.09 -2.44 -0.01 0.00 -1.56 0.00 0.00 34.95 31.03 3nnk s ARG 232 CO 0.12 -0.29 0.14 0.25 -0.81 0.00 0.00 175.30 174.71 3nnk n THR 233 N -0.31 0.00 1.62 4.11 -2.24 -1.26 -5.01 114.28 111.18 3nnk n THR 233 Ca 0.06 -1.79 0.14 0.00 -2.27 0.00 0.00 64.05 60.20 3nnk n THR 233 Cb 0.50 0.73 0.79 0.00 -2.10 0.00 0.00 70.33 70.24 3nnk n THR 233 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3nnk n ASP 234 N -1.78 0.00 -0.48 3.42 8.00 -1.26 -2.68 116.55 121.77 3nnk n ASP 234 Ca -0.01 -0.65 0.11 0.00 0.71 0.00 0.00 54.79 54.95 3nnk n ASP 234 Cb 0.45 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3nnk n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk n ALA 235 N -1.08 3.59 -3.10 2.24 0.00 -1.26 -4.87 120.51 116.03 3nnk n ALA 235 Ca 0.19 -0.64 -0.38 0.00 0.00 0.00 0.00 53.44 52.61 3nnk n ALA 235 Cb 0.13 -0.80 -0.12 0.00 0.00 0.00 0.00 19.45 18.66 3nnk n ALA 235 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3nnk s HIS 236 N -2.50 3.23 -0.02 0.00 3.76 -1.09 -5.09 115.29 113.58 3nnk s HIS 236 Ca 0.18 -1.18 0.02 0.00 -0.15 0.00 0.00 55.06 53.93 3nnk s HIS 236 Cb 0.18 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 3nnk s HIS 236 CO 0.58 -0.67 -0.05 -0.98 -0.85 0.00 0.00 174.74 172.77 3nnk s ARG 237 N 1.47 2.68 0.70 1.40 1.70 -1.26 -4.75 118.95 120.89 3nnk s ARG 237 Ca 0.00 -0.63 -0.14 0.00 -0.47 0.00 0.00 55.73 54.50 3nnk s ARG 237 Cb -0.19 -2.58 0.02 0.00 -0.57 0.00 0.00 34.95 31.63 3nnk s ARG 237 CO 0.04 0.63 1.10 -0.51 -1.08 0.00 0.00 175.30 175.49 3nnk s ASP 238 N -1.23 4.90 0.85 -2.89 1.01 -1.26 -4.80 116.67 113.25 3nnk s ASP 238 Ca 0.16 1.95 0.00 0.00 0.71 0.00 0.00 52.55 55.36 3nnk s ASP 238 Cb -0.11 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.28 3nnk s ASP 238 CO 0.06 -1.77 0.00 0.61 0.21 0.00 0.00 175.17 174.28 3nnk n GLY 239 N -0.74 -1.15 0.11 0.21 0.00 -0.77 -4.95 105.19 97.90 3nnk n GLY 239 Ca 0.10 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.59 3nnk n GLY 239 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3nnk h ASP 240 N -0.05 0.00 -2.03 1.61 5.19 -1.85 -3.47 116.42 115.83 3nnk h ASP 240 Ca 0.00 -0.09 -0.58 0.00 -0.62 0.00 0.00 57.03 55.74 3nnk h ASP 240 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 3nnk h ASP 240 CO 0.00 0.04 -0.65 -1.61 -3.12 0.00 0.00 179.24 173.90 3nnk s GLU 241 N -3.25 2.04 0.74 3.56 2.02 -0.91 -5.09 118.70 117.81 3nnk s GLU 241 Ca 0.04 -1.69 -0.15 0.00 0.02 0.00 0.00 54.97 53.19 3nnk s GLU 241 Cb 0.11 -1.94 0.04 0.00 0.10 0.00 0.00 34.13 32.44 3nnk s GLU 241 CO 0.74 0.21 1.21 -1.83 0.02 0.00 0.00 175.26 175.61 3nnk s GLU 242 N -3.67 2.08 0.95 1.61 -1.05 -1.26 -4.48 118.70 112.88 3nnk s GLU 242 Ca 0.33 1.75 -0.11 0.00 -0.15 0.00 0.00 54.97 56.80 3nnk s GLU 242 Cb -0.02 -1.83 0.16 0.00 -0.44 0.00 0.00 34.13 32.01 3nnk s GLU 242 CO 0.19 -1.88 1.12 0.00 0.95 0.00 0.00 175.26 175.64 3nnk s MET 243 N -3.95 0.78 0.13 -4.83 0.23 -1.26 -4.65 119.30 105.75 3nnk s MET 243 Ca 0.74 1.39 -0.30 0.00 -1.03 0.00 0.00 55.69 56.49 3nnk s MET 243 Cb -0.29 -1.71 -0.07 0.00 -1.53 0.00 0.00 34.83 31.23 3nnk s MET 243 CO 0.46 -2.74 1.07 0.42 -2.03 0.00 0.00 175.02 172.20 3nnk s ILE 244 N -2.64 4.12 -0.35 3.16 1.01 -1.26 -4.94 121.20 120.29 3nnk s ILE 244 Ca 0.67 1.74 -0.05 0.00 0.00 0.00 0.00 60.65 63.00 3nnk s ILE 244 Cb -0.23 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 3nnk s ILE 244 CO 0.59 0.25 3.12 -1.22 0.00 0.00 0.00 174.94 177.69 3nnk n TYR 245 N 2.81 1.00 -3.64 3.97 4.01 -1.26 -4.68 117.16 119.38 3nnk n TYR 245 Ca 0.04 -1.84 -0.08 0.00 -0.16 0.00 0.00 57.90 55.85 3nnk n TYR 245 Cb 0.47 -1.54 -0.07 0.00 -0.31 0.00 0.00 39.34 37.89 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk s SER 246 N 1.12 -0.54 -0.12 7.72 0.15 -1.26 -5.06 113.70 115.71 3nnk s SER 246 Ca 0.63 0.98 -0.18 0.00 0.70 0.00 0.00 55.95 58.07 3nnk s SER 246 Cb 0.34 1.07 -0.16 0.00 -1.71 0.00 0.00 66.02 65.55 3nnk s SER 246 CO -0.12 -0.16 0.51 -1.13 1.20 0.00 0.00 173.24 173.54 3nnk h ASN 247 N 4.96 -0.01 -0.80 5.45 -1.24 -1.97 -3.18 115.58 118.79 3nnk h ASN 247 Ca -0.28 -0.60 -0.01 0.00 0.71 0.00 0.00 56.30 56.11 3nnk h ASN 247 Cb 1.18 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.20 3nnk h ASN 247 CO 0.13 0.77 0.45 0.22 -1.29 0.00 0.00 177.43 177.71 3nnk h TYR 248 N -0.99 1.09 -0.55 0.67 3.20 -1.97 -2.89 116.97 115.53 3nnk h TYR 248 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3nnk h TYR 248 Cb 0.61 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3nnk h TYR 248 CO 0.17 0.75 0.00 1.19 -1.64 0.00 0.00 178.16 178.63 3nnk n PHE 249 N -4.43 1.66 -2.29 -3.82 3.72 -1.26 -4.84 117.46 106.20 3nnk n PHE 249 Ca 0.08 -0.60 -0.41 0.00 -0.05 0.00 0.00 57.45 56.46 3nnk n PHE 249 Cb 0.09 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.23 3nnk n PHE 249 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3nnk s ASP 250 N -0.76 5.89 0.28 4.37 -1.08 -1.09 -4.51 116.67 119.76 3nnk s ASP 250 Ca 0.48 0.29 0.25 0.00 -0.52 0.00 0.00 52.55 53.05 3nnk s ASP 250 Cb 0.34 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 40.21 3nnk s ASP 250 CO 0.18 -1.90 1.75 -0.07 0.52 0.00 0.00 175.17 175.65 3nnk h LEU 251 N 13.99 0.00 -0.22 -1.34 3.38 -1.88 -2.73 115.31 126.51 3nnk h LEU 251 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3nnk h LEU 251 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3nnk h LEU 251 CO 1.19 0.00 0.08 1.23 0.09 0.00 0.00 178.44 181.02 3nnk h GLY 252 N 2.88 0.35 1.72 0.83 0.00 -1.89 -2.13 103.07 104.83 3nnk h GLY 252 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 3nnk h GLY 252 CO 0.00 0.19 -0.84 -0.33 0.00 0.00 0.00 176.54 175.56 3nnk h MET 253 N 0.19 0.25 -0.48 4.80 2.86 -1.87 -2.75 114.93 117.93 3nnk h MET 253 Ca 0.07 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3nnk h MET 253 Cb 0.21 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3nnk h MET 253 CO -0.00 0.96 0.30 0.28 1.06 0.00 0.00 176.91 179.50 3nnk h VAL 254 N 0.15 1.14 -0.50 -2.22 2.07 -1.52 -1.06 116.25 114.32 3nnk h VAL 254 Ca -0.04 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.22 3nnk h VAL 254 Cb 1.46 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3nnk h VAL 254 CO 0.13 0.14 0.24 0.24 0.02 0.00 0.00 177.57 178.34 3nnk h MET 255 N 0.64 0.45 0.00 1.57 2.86 -1.32 -1.62 114.93 117.51 3nnk h MET 255 Ca 0.17 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 3nnk h MET 255 Cb -0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3nnk h MET 255 CO -0.03 0.30 -0.21 -0.44 1.06 0.00 0.00 176.91 177.58 3nnk h ASP 256 N 0.46 0.00 -0.07 1.22 3.32 -1.18 0.59 116.42 120.77 3nnk h ASP 256 Ca 0.22 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 3nnk h ASP 256 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3nnk h ASP 256 CO -0.17 0.21 -0.35 0.22 -1.72 0.00 0.00 179.24 177.43 3nnk h TYR 257 N 0.00 0.48 0.00 4.55 3.20 -0.68 -2.03 116.97 122.49 3nnk h TYR 257 Ca -0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.66 3nnk h TYR 257 Cb 0.43 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3nnk h TYR 257 CO 0.00 0.96 0.00 -1.49 -1.64 0.00 0.00 178.16 175.99 3nnk h TRP 258 N -0.14 0.00 -3.71 -3.82 4.06 -1.08 -3.37 115.95 107.88 3nnk h TRP 258 Ca -0.02 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.52 3nnk h TRP 258 Cb 1.00 0.00 0.17 0.00 -1.00 0.00 0.00 29.16 29.33 3nnk h TRP 258 CO 0.13 0.00 0.38 0.41 -3.56 0.00 0.00 178.44 175.80 3nnk n GLY 259 N 0.79 -1.55 0.27 1.49 0.00 0.20 -4.94 105.19 101.46 3nnk n GLY 259 Ca 0.03 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.87 -2.42 132.00 129.45 3nnk h PRO 260 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3nnk h PRO 260 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3nnk h PRO 260 CO 0.28 0.10 -0.09 0.93 -0.23 0.00 0.00 178.00 178.99 3nnk h GLU 261 N 0.00 0.00 -6.06 0.86 3.07 -1.91 -3.47 114.58 107.06 3nnk h GLU 261 Ca -0.00 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.40 3nnk h GLU 261 Cb 0.28 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 3nnk h GLU 261 CO 0.01 0.09 -0.72 0.54 -1.40 0.00 0.00 179.01 177.53 3nnk n ARG 262 N -3.17 -5.42 -1.66 2.33 5.12 -0.91 -4.88 116.66 108.07 3nnk n ARG 262 Ca 0.02 0.62 -0.50 0.00 -1.93 0.00 0.00 57.85 56.06 3nnk n ARG 262 Cb 0.45 -5.50 -0.05 0.00 -1.16 0.00 0.00 32.46 26.19 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 -4.57 2.66 -4.58 0.55 -0.00 -0.79 -4.84 117.00 105.44 3nnk n LEU 263 Ca 0.03 1.07 -0.40 0.00 -0.00 0.00 0.00 56.01 56.71 3nnk n LEU 263 Cb 0.53 -1.31 -0.02 0.00 -0.00 0.00 0.00 43.42 42.63 3nnk n LEU 263 CO 0.71 -0.47 1.80 0.21 -0.00 0.00 0.00 177.39 179.63 3nnk s ASN 264 N 1.80 6.43 -0.13 1.96 3.84 -1.26 -3.87 114.94 123.71 3nnk s ASN 264 Ca 0.86 -2.10 -0.18 0.00 0.21 0.00 0.00 52.86 51.65 3nnk s ASN 264 Cb -0.81 -2.58 -0.15 0.00 -0.55 0.00 0.00 41.25 37.15 3nnk s ASN 264 CO 0.47 -1.59 0.42 -0.74 -2.79 0.00 0.00 177.10 172.87 3nnk h HIS 265 N 8.41 0.00 -3.25 0.43 -0.00 -1.88 -3.48 115.15 115.38 3nnk h HIS 265 Ca 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.71 3nnk h HIS 265 Cb 0.91 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.22 3nnk h HIS 265 CO 1.36 0.65 0.06 -3.38 -0.00 0.00 0.00 177.93 176.63 3nnk s HIS 266 N -2.00 -0.19 -0.57 5.26 -3.43 -1.26 -5.07 115.29 108.02 3nnk s HIS 266 Ca -0.13 -0.14 -0.28 0.00 -0.80 0.00 0.00 55.06 53.70 3nnk s HIS 266 Cb -0.01 0.43 0.02 0.00 -1.43 0.00 0.00 32.58 31.59 3nnk s HIS 266 CO 0.42 -0.92 1.28 0.99 -2.00 0.00 0.00 174.74 174.52 3nnk s THR 267 N -3.85 3.93 0.20 -5.38 2.01 -1.26 -4.98 115.64 106.30 3nnk s THR 267 Ca 0.08 0.82 -0.33 0.00 0.31 0.00 0.00 61.69 62.57 3nnk s THR 267 Cb -0.01 -4.61 -0.14 0.00 0.01 0.00 0.00 72.50 67.75 3nnk s THR 267 CO -0.04 -1.27 1.44 1.21 -0.69 0.00 0.00 174.62 175.27 3nnk n GLU 268 N 8.52 1.95 -1.55 4.92 4.07 -1.26 -4.81 120.64 132.49 3nnk n GLU 268 Ca 0.10 0.70 -0.33 0.00 -0.06 0.00 0.00 57.16 57.57 3nnk n GLU 268 Cb 0.49 -2.38 -0.04 0.00 -0.06 0.00 0.00 31.44 29.45 3nnk n GLU 268 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3nnk n ALA 269 N 2.44 0.70 -0.06 4.31 0.00 -1.26 -4.83 120.51 121.81 3nnk n ALA 269 Ca 0.14 -0.99 -0.07 0.00 0.00 0.00 0.00 53.44 52.52 3nnk n ALA 269 Cb 0.29 -3.19 -0.01 0.00 0.00 0.00 0.00 19.45 16.54 3nnk n ALA 269 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3nnk h THR 270 N 7.72 0.69 -0.22 0.00 2.02 -1.97 -1.43 112.91 119.73 3nnk h THR 270 Ca -0.20 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.78 3nnk h THR 270 Cb 1.23 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3nnk h THR 270 CO 1.15 0.00 -0.65 0.74 0.37 0.00 0.00 175.52 177.13 3nnk h THR 271 N -0.03 1.28 -0.11 3.16 2.02 -1.91 -2.88 112.91 114.44 3nnk h THR 271 Ca 0.13 -1.85 -0.08 0.00 0.77 0.00 0.00 66.41 65.37 3nnk h THR 271 Cb 0.23 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3nnk h THR 271 CO -0.28 0.59 -0.31 0.00 0.37 0.00 0.00 175.52 175.89 3nnk h ALA 272 N 0.68 1.28 -0.37 6.16 0.00 -1.91 -2.49 119.26 122.60 3nnk h ALA 272 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3nnk h ALA 272 Cb 1.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3nnk h ALA 272 CO 0.14 0.50 0.08 1.25 0.00 0.00 0.00 179.25 181.22 3nnk h LEU 273 N 0.18 0.57 -1.14 0.00 6.46 -1.19 -1.29 115.31 118.89 3nnk h LEU 273 Ca 0.02 -0.24 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 3nnk h LEU 273 Cb 0.65 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.38 3nnk h LEU 273 CO 0.05 0.66 0.59 -0.26 -0.62 0.00 0.00 178.44 178.85 3nnk h PHE 274 N 0.45 1.08 -0.32 1.25 0.04 -1.28 -1.05 116.94 117.11 3nnk h PHE 274 Ca 0.11 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 3nnk h PHE 274 Cb 0.32 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3nnk h PHE 274 CO 0.02 0.64 -0.12 0.78 -0.60 0.00 0.00 178.31 179.03 3nnk h GLY 275 N 1.13 0.70 1.17 -1.45 0.00 -1.27 -2.82 103.07 100.54 3nnk h GLY 275 Ca 0.35 -0.61 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 3nnk h GLY 275 CO -0.10 0.55 -0.30 0.00 0.00 0.00 0.00 176.54 176.69 3nnk h ALA 276 N 0.78 0.67 -0.58 3.60 0.00 -0.94 -1.24 119.26 121.54 3nnk h ALA 276 Ca 0.07 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.62 3nnk h ALA 276 Cb 0.64 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3nnk h ALA 276 CO 0.04 0.67 0.30 -0.09 0.00 0.00 0.00 179.25 180.17 3nnk h ARG 277 N 0.78 0.54 -0.24 0.00 2.43 -1.25 -1.77 114.38 114.87 3nnk h ARG 277 Ca 0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3nnk h ARG 277 Cb 0.88 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3nnk h ARG 277 CO 0.08 0.36 0.07 0.93 -1.51 0.00 0.00 179.97 179.90 3nnk h GLU 278 N 0.56 0.38 -0.36 0.20 4.39 -1.25 0.11 114.58 118.59 3nnk h GLU 278 Ca 0.27 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.96 3nnk h GLU 278 Cb 0.19 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.72 3nnk h GLU 278 CO -0.19 0.47 -0.11 0.00 -1.16 0.00 0.00 179.01 178.01 3nnk h ALA 280 N 1.31 0.62 -0.32 0.00 0.00 -1.27 -2.67 119.26 116.95 3nnk h ALA 280 Ca 0.18 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3nnk h ALA 280 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3nnk h ALA 280 CO -0.39 0.52 0.19 -0.09 0.00 0.00 0.00 179.25 179.48 3nnk h ARG 281 N 0.71 0.43 -0.60 0.00 2.43 -0.59 -2.07 114.38 114.68 3nnk h ARG 281 Ca 0.11 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3nnk h ARG 281 Cb 0.65 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3nnk h ARG 281 CO 0.04 0.32 0.13 -0.07 -1.51 0.00 0.00 179.97 178.88 3nnk h LEU 282 N 0.41 0.92 -0.55 3.80 3.38 -1.04 0.81 115.31 123.05 3nnk h LEU 282 Ca 0.11 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3nnk h LEU 282 Cb -0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3nnk h LEU 282 CO -0.02 0.93 0.34 0.40 0.09 0.00 0.00 178.44 180.18 3nnk h ILE 283 N 0.88 1.09 0.00 1.22 2.04 -1.37 -1.53 117.51 119.84 3nnk h ILE 283 Ca 0.19 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3nnk h ILE 283 Cb 0.38 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3nnk h ILE 283 CO 0.01 0.12 -0.47 -0.07 0.00 0.00 0.00 178.15 177.74 3nnk h LEU 284 N 0.68 0.00 -0.45 1.44 3.38 -1.15 -0.43 115.31 118.79 3nnk h LEU 284 Ca 0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3nnk h LEU 284 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3nnk h LEU 284 CO -0.08 0.47 -0.05 1.56 0.09 0.00 0.00 178.44 180.43 3nnk h GLN 285 N 0.00 0.82 -0.10 1.13 4.20 -0.57 -3.05 115.11 117.55 3nnk h GLN 285 Ca -0.00 -0.29 -0.15 0.00 0.06 0.00 0.00 58.65 58.27 3nnk h GLN 285 Cb 1.19 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 3nnk h GLN 285 CO 0.06 0.90 -0.60 1.49 -0.67 0.00 0.00 178.83 180.02 3nnk h GLU 286 N 0.66 0.32 -0.02 1.46 4.81 -1.18 -3.50 114.58 117.13 3nnk h GLU 286 Ca 0.12 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3nnk h GLU 286 Cb 0.56 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3nnk h GLU 286 CO 0.03 0.82 0.00 0.41 -0.73 0.00 0.00 179.01 179.54 3nnk n GLY 287 N 0.27 1.14 0.07 1.92 0.00 -0.18 -4.69 105.19 103.72 3nnk n GLY 287 Ca -0.03 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 0.11 -0.93 0.99 5.85 -1.85 -1.02 115.31 118.46 3nnk h LEU 288 Ca 0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3nnk h LEU 288 Cb 0.00 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3nnk h LEU 288 CO 0.00 0.08 0.62 0.44 -0.34 0.00 0.00 178.44 179.24 3nnk h ASP 289 N 0.13 1.07 -0.69 1.25 3.45 -1.93 -0.28 116.42 119.43 3nnk h ASP 289 Ca 0.04 -0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.48 3nnk h ASP 289 Cb -0.01 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.45 3nnk h ASP 289 CO -0.01 0.77 0.45 1.88 -1.57 0.00 0.00 179.24 180.76 3nnk h TYR 290 N 1.26 0.84 -0.42 4.55 0.05 -1.74 -0.05 116.97 121.46 3nnk h TYR 290 Ca 0.34 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.11 3nnk h TYR 290 Cb -0.14 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.29 3nnk h TYR 290 CO -0.01 0.51 0.14 0.78 -1.05 0.00 0.00 178.16 178.53 3nnk h GLY 291 N 0.90 0.70 0.90 3.88 0.00 -0.54 0.63 103.07 109.53 3nnk h GLY 291 Ca 0.26 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.20 3nnk h GLY 291 CO -0.07 0.39 0.25 -2.22 0.00 0.00 0.00 176.54 174.88 3nnk h ILE 292 N 0.54 1.04 -0.55 2.60 2.04 -0.87 -1.93 117.51 120.37 3nnk h ILE 292 Ca 0.14 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3nnk h ILE 292 Cb 0.25 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3nnk h ILE 292 CO -0.01 0.09 0.21 0.00 0.00 0.00 0.00 178.15 178.44 3nnk h ALA 293 N 1.19 1.32 -0.59 1.87 0.00 -0.74 -1.55 119.26 120.77 3nnk h ALA 293 Ca 0.17 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3nnk h ALA 293 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3nnk h ALA 293 CO -0.08 0.50 0.07 -0.09 0.00 0.00 0.00 179.25 179.65 3nnk h ARG 294 N 0.80 0.97 -0.16 0.00 2.43 -0.60 -1.09 114.38 116.72 3nnk h ARG 294 Ca 0.19 -0.26 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 3nnk h ARG 294 Cb 0.18 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3nnk h ARG 294 CO -0.02 0.91 -0.32 0.45 -1.51 0.00 0.00 179.97 179.49 3nnk h HIS 295 N 0.91 0.36 -0.06 2.20 3.86 -0.81 -2.86 115.15 118.75 3nnk h HIS 295 Ca 0.18 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3nnk h HIS 295 Cb 0.44 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.82 3nnk h HIS 295 CO 0.03 0.61 -0.16 -0.22 0.86 0.00 0.00 177.93 179.05 3nnk h LYS 296 N 0.28 0.22 -0.43 2.45 3.64 -1.00 -1.16 116.57 120.57 3nnk h LYS 296 Ca 0.04 -0.15 0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3nnk h LYS 296 Cb 0.71 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.48 3nnk h LYS 296 CO 0.05 0.76 -0.02 1.25 -2.27 0.00 0.00 179.45 179.22 3nnk h LEU 297 N -0.29 -0.23 0.00 5.20 5.85 -1.19 0.38 115.31 125.03 3nnk h LEU 297 Ca -0.00 0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 3nnk h LEU 297 Cb 0.77 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3nnk h LEU 297 CO 0.03 -0.07 -0.91 0.45 -0.34 0.00 0.00 178.44 177.60 3nnk h HIS 298 N 0.08 0.00 0.11 1.25 3.86 -1.60 -2.29 115.15 116.56 3nnk h HIS 298 Ca 0.21 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3nnk h HIS 298 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 3nnk h HIS 298 CO -0.30 0.70 -0.05 0.78 0.86 0.00 0.00 177.93 179.92 3nnk h GLY 299 N 3.39 -0.15 1.10 2.45 0.00 -0.92 -2.61 103.07 106.33 3nnk h GLY 299 Ca -0.06 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3nnk h GLY 299 CO 0.08 -0.05 0.24 -0.55 0.00 0.00 0.00 176.54 176.26 3nnk h ASP 300 N -0.29 1.06 -0.82 0.19 3.32 -0.98 -2.42 116.42 116.47 3nnk h ASP 300 Ca -0.01 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.85 3nnk h ASP 300 Cb 0.24 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 3nnk h ASP 300 CO 0.02 0.97 0.54 0.00 -1.72 0.00 0.00 179.24 179.06 3nnk h ALA 301 N 1.16 1.40 -0.27 3.45 0.00 -1.39 -1.53 119.26 122.09 3nnk h ALA 301 Ca 0.24 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3nnk h ALA 301 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3nnk h ALA 301 CO -0.01 0.55 -0.07 1.25 0.00 0.00 0.00 179.25 180.97 3nnk h LEU 302 N 1.12 0.53 -0.37 0.00 5.85 -1.27 -2.86 115.31 118.29 3nnk h LEU 302 Ca 0.30 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3nnk h LEU 302 Cb -0.12 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 3nnk h LEU 302 CO -0.06 0.77 -0.03 0.58 -0.34 0.00 0.00 178.44 179.36 3nnk h VAL 303 N 0.28 0.69 -0.55 1.05 2.07 -0.90 -1.10 116.25 117.78 3nnk h VAL 303 Ca 0.07 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 3nnk h VAL 303 Cb 0.54 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3nnk h VAL 303 CO 0.03 0.01 -0.02 0.11 0.02 0.00 0.00 177.57 177.72 3nnk h LYS 304 N 0.07 0.99 0.04 1.57 1.57 -1.34 -1.77 116.57 117.69 3nnk h LYS 304 Ca 0.18 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3nnk h LYS 304 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3nnk h LYS 304 CO -0.33 1.00 -0.02 0.78 -0.57 0.00 0.00 179.45 180.31 3nnk h GLY 305 N 0.88 -0.06 0.47 3.86 0.00 -1.25 -1.96 103.07 105.01 3nnk h GLY 305 Ca 0.15 0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.60 3nnk h GLY 305 CO 0.03 -0.02 0.41 -2.22 0.00 0.00 0.00 176.54 174.74 3nnk h ILE 306 N -0.17 0.86 -0.60 2.60 1.08 -1.14 -1.50 117.51 118.64 3nnk h ILE 306 Ca -0.01 -0.23 -0.08 0.00 -0.39 0.00 0.00 64.86 64.16 3nnk h ILE 306 Cb 0.15 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.00 3nnk h ILE 306 CO 0.01 0.12 0.07 1.56 -0.69 0.00 0.00 178.15 179.22 3nnk h GLN 307 N 0.67 1.00 0.00 2.37 4.20 -1.19 -2.57 115.11 119.59 3nnk h GLN 307 Ca 0.38 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3nnk h GLN 307 Cb 0.39 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3nnk h GLN 307 CO -0.27 0.94 0.00 0.00 -0.67 0.00 0.00 178.83 178.83 3nnk h ALA 308 N 1.13 1.00 0.00 3.87 0.00 -0.89 -2.74 119.26 121.63 3nnk h ALA 308 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3nnk h ALA 308 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3nnk h ALA 308 CO 0.02 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 179.15 3nnk n MET 309 N -2.38 0.79 -1.93 0.00 0.00 -0.61 -4.12 117.12 108.86 3nnk n MET 309 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 3nnk n MET 309 Cb 0.38 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.10 3nnk n MET 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3nnk n GLY 310 N 1.09 0.43 3.53 -5.12 0.00 -1.03 -4.83 105.19 99.26 3nnk n GLY 310 Ca 0.20 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.01 2.96 0.55 0.99 1.43 -1.15 -5.08 118.68 118.37 3nnk s LEU 311 Ca 0.00 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 3nnk s LEU 311 Cb 0.00 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 3nnk s LEU 311 CO 0.00 0.32 1.01 -1.61 0.23 0.00 0.00 176.35 176.30 3nnk s GLU 312 N -1.01 3.73 0.32 1.70 2.02 -1.26 -4.38 118.70 119.82 3nnk s GLU 312 Ca 0.14 1.00 0.08 0.00 0.02 0.00 0.00 54.97 56.21 3nnk s GLU 312 Cb -0.11 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 3nnk s GLU 312 CO 0.03 -0.46 0.16 0.95 0.02 0.00 0.00 175.26 175.96 3nnk s THR 313 N -2.64 3.32 0.03 3.63 -4.23 -1.26 -1.69 115.64 112.79 3nnk s THR 313 Ca 0.60 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 3nnk s THR 313 Cb -0.12 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 3nnk s THR 313 CO 0.35 -0.22 -0.03 0.12 -0.54 0.00 0.00 174.62 174.30 3nnk s PHE 314 N -2.36 2.97 0.00 3.99 5.36 -0.52 -4.76 117.98 122.66 3nnk s PHE 314 Ca 0.37 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.34 3nnk s PHE 314 Cb -0.04 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 41.04 3nnk s PHE 314 CO 0.23 0.43 0.00 0.41 -1.46 0.00 0.00 175.22 174.84 3nnk n GLY 315 N 1.19 -1.02 3.59 13.12 0.00 -1.26 -4.55 105.19 116.26 3nnk n GLY 315 Ca -0.14 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 3nnk n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nnk s ASP 316 N -3.32 6.56 0.58 1.61 2.15 -1.09 -4.91 116.67 118.25 3nnk s ASP 316 Ca 0.00 0.39 0.28 0.00 0.43 0.00 0.00 52.55 53.65 3nnk s ASP 316 Cb 0.00 -2.55 1.72 0.00 -0.30 0.00 0.00 42.92 41.79 3nnk s ASP 316 CO 0.00 -1.33 2.19 -0.07 -0.17 0.00 0.00 175.17 175.79 3nnk h LEU 317 N 11.49 0.00 -1.95 -1.34 3.38 -1.94 -1.84 115.31 123.12 3nnk h LEU 317 Ca -0.24 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.82 3nnk h LEU 317 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3nnk h LEU 317 CO 1.14 0.00 0.25 0.11 0.09 0.00 0.00 178.44 180.03 3nnk h LYS 318 N 0.00 0.06 0.00 1.13 1.57 -2.01 -2.83 116.57 114.48 3nnk h LYS 318 Ca 0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3nnk h LYS 318 Cb 0.17 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3nnk h LYS 318 CO -0.00 0.04 -0.30 0.72 -0.57 0.00 0.00 179.45 179.33 3nnk n HIS 319 N -4.45 0.00 -2.38 -1.35 8.25 -0.70 -5.06 115.22 109.53 3nnk n HIS 319 Ca 0.05 -1.05 -0.37 0.00 -0.26 0.00 0.00 57.72 56.08 3nnk n HIS 319 Cb 0.39 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.54 4.05 0.53 -0.41 2.20 -1.07 0.41 119.74 122.90 3nnk s LYS 320 Ca 0.31 1.70 -0.21 0.00 -0.36 0.00 0.00 55.97 57.42 3nnk s LYS 320 Cb 0.29 -2.59 -0.05 0.00 -1.51 0.00 0.00 37.83 33.97 3nnk s LYS 320 CO -0.02 -0.29 1.23 -1.64 -0.36 0.00 0.00 175.35 174.27 3nnk s MET 321 N -2.43 3.33 0.58 4.03 -1.94 0.41 -4.69 119.30 118.59 3nnk s MET 321 Ca 0.58 1.92 0.35 0.00 -1.71 0.00 0.00 55.69 56.82 3nnk s MET 321 Cb -0.27 -2.20 1.75 0.00 2.01 0.00 0.00 34.83 36.12 3nnk s MET 321 CO 0.34 -0.94 2.15 -0.91 -0.01 0.00 0.00 175.02 175.65 3nnk h ASN 322 N 1.50 0.00 -0.01 3.03 2.35 -1.88 -3.33 115.58 117.24 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 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 3nnk h ASN 322 CO 0.58 0.05 -0.06 -0.46 -1.65 0.00 0.00 177.43 175.88 3nnk n ASN 323 N -3.33 1.30 -4.10 5.81 6.94 -1.26 -4.01 115.26 116.61 3nnk n ASN 323 Ca -0.02 -1.15 -0.12 0.00 -0.02 0.00 0.00 54.58 53.27 3nnk n ASN 323 Cb 0.20 0.22 -0.11 0.00 -2.36 0.00 0.00 39.78 37.73 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 -0.81 0.57 -0.06 3.53 1.01 -1.25 -0.34 120.40 123.06 3nnk s VAL 324 Ca 0.07 -1.42 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 3nnk s VAL 324 Cb 0.06 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.45 3nnk s VAL 324 CO 0.13 -0.59 0.12 -0.22 0.00 0.00 0.00 175.10 174.53 3nnk s LEU 325 N -2.17 0.65 -0.21 3.92 0.20 0.17 -4.57 118.68 116.68 3nnk s LEU 325 Ca -0.02 0.23 -0.20 0.00 0.69 0.00 0.00 54.13 54.83 3nnk s LEU 325 Cb -0.04 0.22 -0.03 0.00 -0.43 0.00 0.00 46.19 45.92 3nnk s LEU 325 CO -0.02 -0.16 0.61 -0.83 -0.29 0.00 0.00 176.35 175.66 3nnk s GLY 326 N 1.37 2.01 -0.24 7.98 0.00 -1.26 -1.43 107.32 115.76 3nnk s GLY 326 Ca -0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 44.72 44.32 3nnk s GLY 326 CO -0.05 1.29 -0.10 0.14 0.00 0.00 0.00 173.10 174.38 3nnk s VAL 327 N 1.97 2.59 0.17 1.40 1.01 0.27 -1.44 120.40 126.37 3nnk s VAL 327 Ca 0.27 -1.12 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 3nnk s VAL 327 Cb -0.16 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 33.81 3nnk s VAL 327 CO 0.10 0.22 1.51 -0.69 0.00 0.00 0.00 175.10 176.24 3nnk s VAL 328 N 1.28 2.77 -0.01 2.92 1.01 -0.68 -0.17 120.40 127.51 3nnk s VAL 328 Ca -0.01 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 3nnk s VAL 328 Cb -0.17 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3nnk s VAL 328 CO -0.06 0.05 1.35 -0.63 0.00 0.00 0.00 175.10 175.81 3nnk s ILE 329 N 0.94 3.84 0.55 2.22 1.01 0.42 -4.52 121.20 125.67 3nnk s ILE 329 Ca 0.67 1.21 0.33 0.00 0.00 0.00 0.00 60.65 62.86 3nnk s ILE 329 Cb -0.42 -3.78 0.49 0.00 0.01 0.00 0.00 42.46 38.76 3nnk s ILE 329 CO 0.33 -0.00 1.83 -0.65 0.00 0.00 0.00 174.94 176.44 3nnk h PRO 330 N 7.74 0.00 -1.59 2.79 0.11 -1.90 -3.47 132.00 135.67 3nnk h PRO 330 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3nnk h PRO 330 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3nnk h PRO 330 CO 0.90 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.73 3nnk n GLN 331 N -4.07 0.00 0.00 1.05 6.02 -1.26 -4.85 117.38 114.27 3nnk n GLN 331 Ca 0.20 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 3nnk n GLN 331 Cb 1.06 -0.38 0.00 0.00 1.02 0.00 0.00 30.24 31.93 3nnk n GLN 331 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3nnk n GLY 332 N 0.51 3.09 3.75 1.08 0.00 -1.26 -5.07 105.19 107.29 3nnk n GLY 332 Ca 0.00 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.40 4.28 -0.47 -0.61 -4.36 -1.26 -5.04 121.20 113.34 3nnk s ILE 333 Ca 0.00 1.96 -0.18 0.00 -0.26 0.00 0.00 60.65 62.18 3nnk s ILE 333 Cb 0.00 -4.27 0.05 0.00 1.25 0.00 0.00 42.46 39.49 3nnk s ILE 333 CO 0.00 0.46 0.51 0.21 0.24 0.00 0.00 174.94 176.35 3nnk s ASN 334 N -0.83 6.19 0.27 4.36 3.84 -1.26 -4.79 114.94 122.72 3nnk s ASN 334 Ca 0.41 -0.96 0.01 0.00 0.21 0.00 0.00 52.86 52.52 3nnk s ASN 334 Cb -0.24 -2.24 0.61 0.00 -0.55 0.00 0.00 41.25 38.82 3nnk s ASN 334 CO 0.30 -0.74 1.74 1.23 -2.79 0.00 0.00 177.10 176.84 3nnk h GLY 335 N 9.25 1.44 1.67 1.21 0.00 -1.96 -0.25 103.07 114.43 3nnk h GLY 335 Ca -0.27 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 3nnk h GLY 335 CO 0.89 -0.12 -0.39 1.29 0.00 0.00 0.00 176.54 178.21 3nnk h ASP 336 N 0.54 0.39 -0.56 0.19 -0.00 -1.97 -2.27 116.42 112.74 3nnk h ASP 336 Ca 0.50 -0.16 -0.09 0.00 -0.00 0.00 0.00 57.03 57.28 3nnk h ASP 336 Cb 0.81 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 40.01 3nnk h ASP 336 CO -0.42 0.75 0.01 -0.61 -0.00 0.00 0.00 179.24 178.96 3nnk h GLN 337 N 0.31 1.01 -0.50 4.15 4.15 -1.50 -0.59 115.11 122.14 3nnk h GLN 337 Ca 0.03 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 3nnk h GLN 337 Cb 0.83 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 3nnk h GLN 337 CO 0.07 0.98 0.23 0.00 -1.93 0.00 0.00 178.83 178.18 3nnk h ALA 338 N 1.07 0.64 -0.76 3.38 0.00 -1.16 -2.01 119.26 120.42 3nnk h ALA 338 Ca 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3nnk h ALA 338 Cb 0.52 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3nnk h ALA 338 CO 0.03 0.22 0.51 0.00 0.00 0.00 0.00 179.25 180.00 3nnk h ARG 339 N 0.66 1.00 -0.47 0.00 3.08 -1.18 -0.95 114.38 116.52 3nnk h ARG 339 Ca 0.17 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3nnk h ARG 339 Cb 0.15 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3nnk h ARG 339 CO -0.02 0.66 0.23 -0.22 -1.07 0.00 0.00 179.97 179.55 3nnk h LYS 340 N 1.03 0.67 -0.28 0.04 3.64 -0.88 -0.34 116.57 120.45 3nnk h LYS 340 Ca 0.28 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 3nnk h LYS 340 Cb -0.12 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3nnk h LYS 340 CO -0.06 0.56 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.17 3nnk h LEU 341 N 0.61 0.77 -0.43 5.20 3.38 -1.23 0.52 115.31 124.13 3nnk h LEU 341 Ca 0.16 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3nnk h LEU 341 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3nnk h LEU 341 CO -0.02 1.09 0.15 0.24 0.09 0.00 0.00 178.44 179.99 3nnk h MET 342 N 0.57 0.67 -0.05 1.13 2.86 -1.05 -0.96 114.93 118.10 3nnk h MET 342 Ca 0.04 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 3nnk h MET 342 Cb 0.99 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.55 3nnk h MET 342 CO 0.09 0.64 -0.39 1.25 1.06 0.00 0.00 176.91 179.57 3nnk h LEU 343 N 0.56 0.43 0.00 1.22 5.85 -0.69 -0.43 115.31 122.26 3nnk h LEU 343 Ca 0.14 -0.68 -0.26 0.00 0.84 0.00 0.00 57.88 57.92 3nnk h LEU 343 Cb 0.25 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3nnk h LEU 343 CO -0.01 1.05 -1.44 -0.33 -0.34 0.00 0.00 178.44 177.37 3nnk h GLU 344 N -0.14 0.00 0.00 1.25 5.08 -0.96 -2.84 114.58 116.97 3nnk h GLU 344 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3nnk h GLU 344 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3nnk h GLU 344 CO 0.08 0.67 -1.89 -0.25 -1.00 0.00 0.00 179.01 176.62 3nnk n ASP 345 N -3.15 0.98 -0.01 1.42 8.00 -0.37 -4.59 116.55 118.82 3nnk n ASP 345 Ca -0.11 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.40 3nnk n ASP 345 Cb 1.01 1.57 -0.00 0.00 -0.02 0.00 0.00 41.12 43.67 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3nnk n PHE 346 N -2.24 0.00 -2.50 1.24 3.72 -1.07 -5.01 117.46 111.60 3nnk n PHE 346 Ca -0.09 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.13 3nnk n PHE 346 Cb 0.61 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 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 0.90 -0.34 3.13 1.37 0.00 -0.84 -4.93 105.19 104.48 3nnk n GLY 347 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.93 1.72 -0.26 -0.61 1.01 -0.23 -1.33 121.20 118.57 3nnk s ILE 348 Ca 0.08 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 3nnk s ILE 348 Cb -0.03 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3nnk s ILE 348 CO 0.10 0.48 0.33 -0.70 0.00 0.00 0.00 174.94 175.15 3nnk s GLU 349 N 0.69 4.02 0.16 2.79 2.12 -0.58 -2.39 118.70 125.51 3nnk s GLU 349 Ca -0.12 -0.03 0.06 0.00 0.36 0.00 0.00 54.97 55.24 3nnk s GLU 349 Cb -0.16 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 3nnk s GLU 349 CO 0.03 -0.21 0.04 0.96 -0.54 0.00 0.00 175.26 175.54 3nnk s ILE 350 N 1.88 4.02 0.09 -3.70 -4.36 -1.26 -0.69 121.20 117.17 3nnk s ILE 350 Ca 0.13 -1.25 -0.19 0.00 -0.26 0.00 0.00 60.65 59.08 3nnk s ILE 350 Cb -0.16 -3.02 -0.07 0.00 1.25 0.00 0.00 42.46 40.47 3nnk s ILE 350 CO 0.10 -0.08 0.58 -0.83 0.24 0.00 0.00 174.94 174.94 3nnk s GLY 351 N -2.91 2.66 0.70 6.27 0.00 -0.05 -4.82 107.32 109.17 3nnk s GLY 351 Ca 0.28 0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.98 3nnk s GLY 351 CO 0.20 0.44 1.01 -1.08 0.00 0.00 0.00 173.10 173.67 3nnk s THR 352 N -1.16 2.29 -0.06 0.90 -1.32 -1.26 0.25 115.64 115.28 3nnk s THR 352 Ca 0.30 -0.32 -0.01 0.00 -1.21 0.00 0.00 61.69 60.46 3nnk s THR 352 Cb -0.19 -2.97 -0.03 0.00 -1.51 0.00 0.00 72.50 67.80 3nnk s THR 352 CO 0.19 0.00 -0.01 -0.44 -2.21 0.00 0.00 174.62 172.15 3nnk s SER 353 N -4.55 5.09 -0.16 8.08 0.01 -1.19 -4.59 113.70 116.40 3nnk s SER 353 Ca 0.61 0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.84 3nnk s SER 353 Cb -0.10 -1.38 -0.05 0.00 0.21 0.00 0.00 66.02 64.70 3nnk s SER 353 CO 0.44 0.36 0.22 -0.36 0.41 0.00 0.00 173.24 174.31 3nnk s PHE 354 N -0.91 3.47 0.00 2.43 0.08 -1.26 -3.64 117.98 118.16 3nnk s PHE 354 Ca 0.14 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.70 3nnk s PHE 354 Cb -0.11 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.12 3nnk s PHE 354 CO 0.04 0.34 0.00 0.41 -0.10 0.00 0.00 175.22 175.91 3nnk n GLY 355 N 3.17 0.97 0.25 4.36 0.00 -1.26 -4.52 105.19 108.17 3nnk n GLY 355 Ca -0.15 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 -0.52 1.61 0.13 -2.02 -2.65 132.00 128.55 3nnk h PRO 356 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3nnk h PRO 356 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3nnk h PRO 356 CO 0.00 0.15 0.00 1.28 -0.23 0.00 0.00 178.00 179.20 3nnk n LEU 357 N -3.46 3.61 -4.67 1.56 4.77 -1.26 -4.90 117.00 112.65 3nnk n LEU 357 Ca -0.01 -1.66 -0.42 0.00 -0.03 0.00 0.00 56.01 53.89 3nnk n LEU 357 Cb 0.32 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3nnk n LEU 357 CO 0.31 0.83 1.34 -2.28 -1.33 0.00 0.00 177.39 176.26 3nnk s HIS 358 N -1.32 2.13 0.00 -1.77 2.46 -1.00 -0.83 115.29 114.96 3nnk s HIS 358 Ca 0.43 0.27 0.00 0.00 0.47 0.00 0.00 55.06 56.23 3nnk s HIS 358 Cb 0.24 -3.90 0.00 0.00 -0.13 0.00 0.00 32.58 28.79 3nnk s HIS 358 CO 0.32 -3.73 0.00 0.41 -2.47 0.00 0.00 174.74 169.28 3nnk n GLY 359 N 4.06 0.73 0.00 1.59 0.00 -1.26 -4.89 105.19 105.42 3nnk n GLY 359 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.01 2.15 -4.07 1.61 4.76 -0.01 -4.80 118.16 115.79 3nnk n LYS 360 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 3nnk n LYS 360 Cb 0.00 -0.97 -0.17 0.00 -1.84 0.00 0.00 35.03 32.05 3nnk n LYS 360 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3nnk s VAL 361 N -1.95 0.65 0.32 -0.18 1.01 -0.64 -0.44 120.40 119.18 3nnk s VAL 361 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3nnk s VAL 361 Cb 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 36.38 35.60 3nnk s VAL 361 CO 0.00 0.27 0.71 0.26 0.00 0.00 0.00 175.10 176.35 3nnk s TRP 362 N 1.30 3.40 -0.30 5.22 0.51 0.76 -3.19 118.94 126.63 3nnk s TRP 362 Ca -0.05 1.13 0.03 0.00 -2.12 0.00 0.00 56.10 55.10 3nnk s TRP 362 Cb -0.14 -2.48 0.08 0.00 -0.81 0.00 0.00 33.47 30.13 3nnk s TRP 362 CO -0.02 0.08 -0.01 1.03 -0.51 0.00 0.00 176.95 177.52 3nnk s ARG 363 N -3.12 1.69 -0.25 4.98 0.52 0.14 -0.56 118.95 122.35 3nnk s ARG 363 Ca 0.53 -1.56 -0.09 0.00 -0.52 0.00 0.00 55.73 54.09 3nnk s ARG 363 Cb -0.10 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 3nnk s ARG 363 CO 0.20 -0.79 0.12 0.42 0.02 0.00 0.00 175.30 175.27 3nnk s ILE 364 N 1.06 4.76 0.05 1.52 1.01 -0.51 -0.87 121.20 128.22 3nnk s ILE 364 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3nnk s ILE 364 Cb -0.19 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3nnk s ILE 364 CO -0.08 0.32 0.10 -0.83 0.00 0.00 0.00 174.94 174.45 3nnk s GLY 365 N 1.53 2.04 -0.57 6.18 0.00 0.91 -0.65 107.32 116.77 3nnk s GLY 365 Ca 0.06 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.90 3nnk s GLY 365 CO 0.06 -0.88 0.48 -1.30 0.00 0.00 0.00 173.10 171.46 3nnk n THR 366 N 0.70 0.52 -4.41 0.90 -2.24 0.54 -4.55 114.28 105.75 3nnk n THR 366 Ca -0.10 -4.33 -0.24 0.00 -2.27 0.00 0.00 64.05 57.11 3nnk n THR 366 Cb 0.52 -1.97 -0.11 0.00 -2.10 0.00 0.00 70.33 66.67 3nnk n THR 366 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 367 N -1.05 1.49 4.21 -0.78 -1.94 -1.26 -4.43 119.30 115.54 3nnk s MET 367 Ca 0.31 -1.58 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 3nnk s MET 367 Cb 0.03 -1.61 0.00 0.00 2.01 0.00 0.00 34.83 35.26 3nnk s MET 367 CO -0.15 0.32 0.00 0.41 -0.01 0.00 0.00 175.02 175.59 3nnk n GLY 368 N -0.09 3.13 0.29 -0.03 0.00 -1.25 -1.15 105.19 106.09 3nnk n GLY 368 Ca -0.10 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.46 1.61 3.20 -1.83 -2.24 116.97 117.25 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 0.00 0.00 0.09 -1.64 0.00 0.00 178.16 176.61 3nnk n ASN 370 N -4.29 2.55 -4.31 -2.11 4.13 -0.30 -4.51 115.26 106.43 3nnk n ASN 370 Ca -0.01 -1.98 -0.43 0.00 1.68 0.00 0.00 54.58 53.84 3nnk n ASN 370 Cb 0.15 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk n ALA 371 N 0.90 4.24 -2.52 5.41 0.00 -0.84 -4.34 120.51 123.35 3nnk n ALA 371 Ca 0.16 -4.11 -0.10 0.00 0.00 0.00 0.00 53.44 49.40 3nnk n ALA 371 Cb 0.41 -3.25 -0.11 0.00 0.00 0.00 0.00 19.45 16.51 3nnk n ALA 371 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nnk s ARG 372 N 2.27 0.56 0.21 0.00 0.52 -1.26 -4.88 118.95 116.36 3nnk s ARG 372 Ca 0.46 -0.98 -0.09 0.00 -0.52 0.00 0.00 55.73 54.60 3nnk s ARG 372 Cb 0.03 -0.01 0.31 0.00 0.52 0.00 0.00 34.95 35.80 3nnk s ARG 372 CO 0.01 -0.04 1.71 -0.22 0.02 0.00 0.00 175.30 176.79 3nnk h LYS 373 N 3.82 0.28 0.00 3.54 3.64 -1.98 -2.55 116.57 123.33 3nnk h LYS 373 Ca -0.34 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.92 3nnk h LYS 373 Cb 1.18 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3nnk h LYS 373 CO 0.53 0.19 -0.48 0.38 -2.27 0.00 0.00 179.45 177.80 3nnk h ASP 374 N 0.29 0.00 -0.14 4.20 2.03 -1.97 -1.07 116.42 119.77 3nnk h ASP 374 Ca 0.33 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.59 3nnk h ASP 374 Cb 0.48 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.97 3nnk h ASP 374 CO -0.39 0.48 -0.03 0.00 -1.03 0.00 0.00 179.24 178.26 3nnk h VAL 376 N -0.03 1.20 -0.08 0.00 2.07 -1.36 -1.95 116.25 116.09 3nnk h VAL 376 Ca 0.04 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3nnk h VAL 376 Cb 0.45 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3nnk h VAL 376 CO 0.01 0.22 0.03 0.24 0.02 0.00 0.00 177.57 178.09 3nnk h MET 377 N 0.76 0.12 -0.23 1.57 2.07 -1.15 -1.07 114.93 117.01 3nnk h MET 377 Ca 0.20 -0.02 -0.11 0.00 -2.07 0.00 0.00 59.70 57.69 3nnk h MET 377 Cb 0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.79 3nnk h MET 377 CO -0.03 0.25 -0.33 1.15 1.07 0.00 0.00 176.91 179.02 3nnk h THR 378 N -0.04 1.29 -0.38 2.22 2.02 -1.19 -2.18 112.91 114.65 3nnk h THR 378 Ca 0.03 -1.42 -0.05 0.00 0.77 0.00 0.00 66.41 65.74 3nnk h THR 378 Cb 0.18 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3nnk h THR 378 CO -0.00 0.44 0.06 0.74 0.37 0.00 0.00 175.52 177.13 3nnk h THR 379 N 0.40 1.24 -0.27 3.16 2.02 -1.26 -1.51 112.91 116.69 3nnk h THR 379 Ca 0.05 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 3nnk h THR 379 Cb 0.78 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3nnk h THR 379 CO 0.06 0.29 0.06 -0.07 0.37 0.00 0.00 175.52 176.23 3nnk h LEU 380 N 0.48 0.42 -0.99 2.58 3.38 -1.10 -0.53 115.31 119.56 3nnk h LEU 380 Ca 0.12 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3nnk h LEU 380 Cb 0.37 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3nnk h LEU 380 CO 0.01 0.56 -0.12 0.77 0.09 0.00 0.00 178.44 179.74 3nnk h SER 381 N 0.27 0.58 -0.22 -0.43 4.64 -1.40 -1.88 113.55 115.10 3nnk h SER 381 Ca 0.08 -0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 3nnk h SER 381 Cb 0.30 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3nnk h SER 381 CO 0.00 0.73 -0.24 0.00 -0.87 0.00 0.00 176.83 176.45 3nnk h ALA 382 N 1.33 0.33 -0.28 5.18 0.00 -1.18 -2.28 119.26 122.35 3nnk h ALA 382 Ca 0.10 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3nnk h ALA 382 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3nnk h ALA 382 CO 0.03 0.30 0.17 1.25 0.00 0.00 0.00 179.25 181.00 3nnk h LEU 383 N 0.24 0.34 -0.60 0.00 6.46 -0.96 -0.76 115.31 120.03 3nnk h LEU 383 Ca 0.03 -0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.66 3nnk h LEU 383 Cb 0.80 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 3nnk h LEU 383 CO 0.06 0.30 0.06 -0.08 -0.62 0.00 0.00 178.44 178.16 3nnk h GLU 384 N 0.36 1.02 -0.68 1.25 4.81 -1.41 -0.90 114.58 119.03 3nnk h GLU 384 Ca 0.10 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 58.97 3nnk h GLU 384 Cb 0.02 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3nnk h GLU 384 CO -0.02 0.98 0.18 0.00 -0.73 0.00 0.00 179.01 179.42 3nnk h ALA 385 N 1.00 1.03 -0.23 2.92 0.00 -1.22 -0.80 119.26 121.96 3nnk h ALA 385 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3nnk h ALA 385 Cb 0.48 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3nnk h ALA 385 CO 0.02 0.64 0.04 0.28 0.00 0.00 0.00 179.25 180.23 3nnk h VAL 386 N 1.03 1.22 -0.77 0.00 2.07 -0.94 -2.66 116.25 116.19 3nnk h VAL 386 Ca 0.22 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3nnk h VAL 386 Cb 0.34 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3nnk h VAL 386 CO -0.00 0.24 0.29 -0.07 0.02 0.00 0.00 177.57 178.04 3nnk h LEU 387 N 0.19 1.07 -0.93 2.57 3.38 -0.90 -0.17 115.31 120.53 3nnk h LEU 387 Ca 0.07 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3nnk h LEU 387 Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3nnk h LEU 387 CO 0.00 0.96 -0.20 0.78 0.09 0.00 0.00 178.44 180.07 3nnk h ASN 388 N 1.13 0.54 0.41 -0.43 2.35 -1.18 0.37 115.58 118.77 3nnk h ASN 388 Ca 0.25 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 3nnk h ASN 388 Cb 0.24 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3nnk h ASN 388 CO -0.02 0.75 -0.57 0.22 -1.65 0.00 0.00 177.43 176.16 3nnk h TYR 389 N 0.49 0.22 -0.10 1.19 -0.00 -1.11 -2.19 116.97 115.48 3nnk h TYR 389 Ca 0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3nnk h TYR 389 Cb 0.63 -0.04 0.00 0.00 -0.00 0.00 0.00 36.73 37.31 3nnk h TYR 389 CO 0.02 0.70 0.00 1.28 -0.00 0.00 0.00 178.16 180.17 3nnk n LEU 390 N -3.88 0.90 -1.43 2.82 4.32 -0.11 -4.93 117.00 114.68 3nnk n LEU 390 Ca -0.02 -0.38 -0.08 0.00 -0.02 0.00 0.00 56.01 55.50 3nnk n LEU 390 Cb 0.59 -0.06 0.02 0.00 -1.62 0.00 0.00 43.42 42.35 3nnk n LEU 390 CO 0.43 0.19 0.04 0.29 -1.22 0.00 0.00 177.39 177.13 3nnk n LYS 391 N -0.17 -2.32 -3.56 3.23 4.01 -0.51 -4.92 118.16 113.92 3nnk n LYS 391 Ca 0.14 0.32 -0.40 0.00 -0.51 0.00 0.00 58.31 57.86 3nnk n LYS 391 Cb 0.20 -3.87 -0.11 0.00 -0.51 0.00 0.00 35.03 30.74 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 3nnk s PHE 392 N -2.93 3.22 0.17 2.13 5.36 0.12 -4.99 117.98 121.07 3nnk s PHE 392 Ca 0.16 -0.33 -0.30 0.00 -0.96 0.00 0.00 56.93 55.50 3nnk s PHE 392 Cb -0.07 -2.45 -0.08 0.00 -0.34 0.00 0.00 43.02 40.09 3nnk s PHE 392 CO 0.20 -0.39 1.10 -1.25 -1.46 0.00 0.00 175.22 173.41 3nnk s PRO 393 N 1.69 4.59 0.12 10.12 0.05 -1.26 -3.83 135.00 146.48 3nnk s PRO 393 Ca 0.06 1.71 0.06 0.00 0.05 0.00 0.00 61.00 62.88 3nnk s PRO 393 Cb -0.17 -3.28 -0.04 0.00 0.05 0.00 0.00 34.50 31.06 3nnk s PRO 393 CO 0.09 0.07 -0.15 0.95 0.05 0.00 0.00 177.00 178.02 3nnk s THR 394 N -0.20 1.38 -0.04 1.26 -4.23 -1.26 -5.01 115.64 107.54 3nnk s THR 394 Ca 0.50 -1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 58.99 3nnk s THR 394 Cb -0.29 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 3nnk s THR 394 CO 0.35 -0.39 1.48 -0.89 -0.54 0.00 0.00 174.62 174.63 3nnk s THR 395 N -2.07 3.72 -0.03 3.99 2.01 -1.26 -4.92 115.64 117.08 3nnk s THR 395 Ca 0.09 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.79 3nnk s THR 395 Cb -0.05 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 3nnk s THR 395 CO 0.03 -0.05 2.05 -1.58 -0.69 0.00 0.00 174.62 174.38 3nnk s GLN 396 N 3.18 3.85 0.00 4.92 0.74 -1.26 -2.25 119.66 128.84 3nnk s GLN 396 Ca 0.66 2.46 0.00 0.00 0.05 0.00 0.00 55.36 58.53 3nnk s GLN 396 Cb -0.31 -4.23 0.00 0.00 1.10 0.00 0.00 33.01 29.57 3nnk s GLN 396 CO 0.26 -1.29 0.00 0.41 -0.55 0.00 0.00 175.29 174.12 3nnk n GLY 397 N 4.90 1.83 0.19 2.59 0.00 -1.26 -4.93 105.19 108.51 3nnk n GLY 397 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 0.45 -0.67 4.61 0.00 -1.77 0.22 119.26 122.10 3nnk h ALA 398 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3nnk h ALA 398 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3nnk h ALA 398 CO 0.00 0.21 0.32 0.00 0.00 0.00 0.00 179.25 179.77 3nnk h ALA 399 N 0.85 0.86 -0.25 0.00 0.00 -1.77 -1.58 119.26 117.37 3nnk h ALA 399 Ca 0.09 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3nnk h ALA 399 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3nnk h ALA 399 CO 0.02 0.43 -0.58 0.52 0.00 0.00 0.00 179.25 179.64 3nnk h MET 400 N 0.93 0.83 -0.36 0.00 2.07 -1.85 -2.97 114.93 113.59 3nnk h MET 400 Ca 0.23 -0.56 0.05 0.00 -2.07 0.00 0.00 59.70 57.34 3nnk h MET 400 Cb 0.13 0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 29.90 3nnk h MET 400 CO -0.03 1.19 0.11 0.37 1.07 0.00 0.00 176.91 179.62 3nnk h GLN 401 N 0.60 0.24 -0.90 1.72 5.75 -0.41 -1.50 115.11 120.61 3nnk h GLN 401 Ca -0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3nnk h GLN 401 Cb 1.19 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.65 3nnk h GLN 401 CO 0.13 0.16 0.57 0.00 -2.65 0.00 0.00 178.83 177.03 3nnk h ALA 402 N 1.24 1.31 -0.14 3.38 0.00 -1.30 0.32 119.26 124.07 3nnk h ALA 402 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3nnk h ALA 402 Cb 0.16 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3nnk h ALA 402 CO -0.19 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.65 3nnk h ALA 403 N 1.40 0.19 -0.34 0.00 0.00 -1.32 -2.37 119.26 116.82 3nnk h ALA 403 Ca 0.33 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3nnk h ALA 403 Cb -0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3nnk h ALA 403 CO -0.07 -0.06 0.13 -1.49 0.00 0.00 0.00 179.25 177.76 3nnk h TRP 404 N -0.03 0.24 -0.97 0.00 6.55 -1.02 -2.30 115.95 118.42 3nnk h TRP 404 Ca 0.04 0.02 0.06 0.00 0.95 0.00 0.00 58.89 59.95 3nnk h TRP 404 Cb 0.45 -0.06 -0.06 0.00 -0.86 0.00 0.00 29.16 28.62 3nnk h TRP 404 CO 0.05 0.11 0.63 -0.44 -1.05 0.00 0.00 178.44 177.74 3nnk h ASP 405 N 0.29 1.01 -0.47 -3.49 3.32 -0.93 0.36 116.42 116.50 3nnk h ASP 405 Ca 0.15 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 3nnk h ASP 405 Cb 0.10 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3nnk h ASP 405 CO -0.14 0.66 -0.00 -0.74 -1.72 0.00 0.00 179.24 177.30 3nnk h HIS 406 N 1.16 0.96 -0.10 4.55 2.76 -1.16 -1.12 115.15 122.20 3nnk h HIS 406 Ca 0.41 -0.15 -0.18 0.00 -2.20 0.00 0.00 60.37 58.26 3nnk h HIS 406 Cb 0.13 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3nnk h HIS 406 CO -0.01 0.87 -0.68 1.88 -1.30 0.00 0.00 177.93 178.69 3nnk h TYR 407 N 0.83 0.57 -0.26 5.26 0.05 -0.81 -2.55 116.97 120.05 3nnk h TYR 407 Ca 0.16 -0.24 -0.14 0.00 0.05 0.00 0.00 58.73 58.56 3nnk h TYR 407 Cb 0.50 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 3nnk h TYR 407 CO 0.03 0.98 -0.37 0.00 -1.05 0.00 0.00 178.16 177.75 3nnk h ARG 408 N 0.30 0.71 -0.04 4.88 -0.00 -0.82 -2.86 114.38 116.56 3nnk h ARG 408 Ca -0.02 -0.42 -0.11 0.00 -0.50 0.00 0.00 59.98 58.94 3nnk h ARG 408 Cb 1.25 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 31.24 3nnk h ARG 408 CO 0.12 1.04 -0.46 0.77 0.00 0.00 0.00 179.97 181.43 3nnk h SER 409 N 0.45 0.10 0.64 7.04 0.02 -1.26 -2.97 113.55 117.57 3nnk h SER 409 Ca 0.03 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3nnk h SER 409 Cb 0.96 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3nnk h SER 409 CO 0.09 0.56 -0.20 1.21 -1.14 0.00 0.00 176.83 177.34 3nnk n GLU 410 N -3.98 0.21 0.00 3.45 4.07 -0.96 -5.10 120.64 118.33 3nnk n GLU 410 Ca -0.02 -0.07 0.12 0.00 -0.06 0.00 0.00 57.16 57.13 3nnk n GLU 410 Cb 0.50 -1.50 0.19 0.00 -0.06 0.00 0.00 31.44 30.57 3nnk n GLU 410 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61