#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 1.37 -0.12 5.18 6.09 -2.08 -3.17 117.51 124.79 3nnk h ILE 3 Ca 0.00 -1.79 0.03 0.00 -1.37 0.00 0.00 64.86 61.73 3nnk h ILE 3 Cb 0.00 1.96 -0.00 0.00 0.47 0.00 0.00 36.82 39.24 3nnk h ILE 3 CO 0.00 0.51 0.21 0.71 -3.07 0.00 0.00 178.15 176.51 3nnk h THR 4 N 0.02 0.27 -0.05 2.19 1.35 -2.10 -0.16 112.91 114.42 3nnk h THR 4 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3nnk h THR 4 Cb 0.93 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3nnk h THR 4 CO 0.07 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.34 3nnk n GLN 5 N -3.45 1.78 -3.11 4.72 10.64 -1.20 -4.60 117.38 122.17 3nnk n GLN 5 Ca 0.00 -1.14 -0.45 0.00 -1.83 0.00 0.00 57.00 53.59 3nnk n GLN 5 Cb 0.31 -1.47 -0.04 0.00 -0.86 0.00 0.00 30.24 28.18 3nnk n GLN 5 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3nnk s PHE 6 N -1.96 3.05 0.45 2.61 0.40 -0.07 -5.05 117.98 117.41 3nnk s PHE 6 Ca 0.36 -1.05 0.00 0.00 -0.60 0.00 0.00 56.93 55.64 3nnk s PHE 6 Cb 0.20 -4.02 0.09 0.00 0.51 0.00 0.00 43.02 39.80 3nnk s PHE 6 CO 0.32 -1.29 0.62 -1.13 0.70 0.00 0.00 175.22 174.43 3nnk n SER 7 N 6.21 0.87 -4.74 1.36 3.41 -1.26 -5.05 113.62 114.42 3nnk n SER 7 Ca -0.06 -1.73 -0.38 0.00 -0.26 0.00 0.00 58.87 56.45 3nnk n SER 7 Cb 0.43 -0.40 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 3nnk n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nnk s GLN 8 N -4.06 2.93 0.18 4.33 0.00 -1.26 -4.92 119.66 116.86 3nnk s GLN 8 Ca 0.41 2.20 -0.32 0.00 -0.00 0.00 0.00 55.36 57.65 3nnk s GLN 8 Cb -0.02 -2.12 -0.12 0.00 0.00 0.00 0.00 33.01 30.75 3nnk s GLN 8 CO 0.27 -1.35 1.76 -0.11 0.00 0.00 0.00 175.29 175.86 3nnk n LEU 9 N -1.34 3.99 -3.01 2.60 -0.00 -1.26 -4.96 117.00 113.02 3nnk n LEU 9 Ca 0.12 1.04 -0.17 0.00 -0.00 0.00 0.00 56.01 57.00 3nnk n LEU 9 Cb 0.46 -1.56 -0.02 0.00 -0.00 0.00 0.00 43.42 42.30 3nnk n LEU 9 CO 0.51 0.17 -0.09 -3.20 -0.00 0.00 0.00 177.39 174.78 3nnk n ASN 10 N 4.47 -1.19 -4.72 1.96 4.05 -1.26 -5.13 115.26 113.44 3nnk n ASN 10 Ca 0.17 -2.92 -0.41 0.00 0.45 0.00 0.00 54.58 51.86 3nnk n ASN 10 Cb 0.35 0.41 -0.04 0.00 1.23 0.00 0.00 39.78 41.74 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 -0.32 4.57 0.70 1.20 0.04 -1.26 -5.00 135.00 134.94 3nnk s PRO 11 Ca 0.34 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.81 3nnk s PRO 11 Cb 0.18 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3nnk s PRO 11 CO -0.17 0.00 1.08 -0.35 0.04 0.00 0.00 177.00 177.61 3nnk n PRO 12 N 3.19 0.67 -1.87 0.56 -0.04 -1.26 -4.92 135.00 131.33 3nnk n PRO 12 Ca 0.05 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.37 3nnk n PRO 12 Cb 0.48 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 3nnk n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3nnk s SER 13 N -1.59 6.53 -0.04 3.54 0.15 -1.26 -5.00 113.70 116.04 3nnk s SER 13 Ca 0.76 2.67 -0.01 0.00 0.70 0.00 0.00 55.95 60.07 3nnk s SER 13 Cb -0.36 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.39 3nnk s SER 13 CO 0.47 -0.88 0.08 -0.13 1.20 0.00 0.00 173.24 173.98 3nnk s ARG 14 N 1.42 0.03 -0.55 5.44 1.81 -1.26 -4.87 118.95 120.97 3nnk s ARG 14 Ca 0.72 0.23 -0.17 0.00 -1.72 0.00 0.00 55.73 54.80 3nnk s ARG 14 Cb -0.45 -0.17 0.11 0.00 -0.45 0.00 0.00 34.95 33.99 3nnk s ARG 14 CO 0.32 -0.14 0.56 -1.17 -0.68 0.00 0.00 175.30 174.19 3nnk s LEU 15 N 0.92 5.79 -0.66 2.53 2.96 -0.18 -4.88 118.68 125.17 3nnk s LEU 15 Ca -0.07 -1.56 -0.23 0.00 -0.22 0.00 0.00 54.13 52.04 3nnk s LEU 15 Cb -0.10 -2.25 0.06 0.00 0.50 0.00 0.00 46.19 44.40 3nnk s LEU 15 CO -0.03 -0.91 1.00 -0.76 -1.32 0.00 0.00 176.35 174.32 3nnk s LEU 16 N 2.01 4.22 -0.24 -0.68 1.43 -1.26 -0.25 118.68 123.91 3nnk s LEU 16 Ca 0.07 -0.88 0.10 0.00 -1.03 0.00 0.00 54.13 52.39 3nnk s LEU 16 Cb -0.27 -2.47 0.44 0.00 0.03 0.00 0.00 46.19 43.93 3nnk s LEU 16 CO 0.05 -1.47 1.27 0.23 0.23 0.00 0.00 176.35 176.66 3nnk n MET 17 N 7.87 1.89 0.00 1.70 2.81 0.11 -4.34 117.12 127.16 3nnk n MET 17 Ca -0.03 -3.39 0.00 0.00 -1.81 0.00 0.00 57.70 52.47 3nnk n MET 17 Cb 0.46 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 3nnk n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nnk n GLY 18 N -1.07 1.66 0.28 3.03 0.00 -0.90 0.13 105.19 108.32 3nnk n GLY 18 Ca 0.25 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.67 3nnk n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 19 N 0.00 1.02 0.00 1.61 -0.04 -1.26 -2.28 135.00 134.05 3nnk n PRO 19 Ca 0.00 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 3nnk n PRO 19 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 3nnk n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nnk n GLY 20 N 1.29 3.55 3.82 0.55 0.00 -1.26 -4.95 105.19 108.19 3nnk n GLY 20 Ca 0.14 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.05 3.74 0.33 1.61 0.04 -1.26 -5.15 135.00 130.25 3nnk s PRO 21 Ca 0.00 1.08 0.09 0.00 0.04 0.00 0.00 61.00 62.21 3nnk s PRO 21 Cb 0.00 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3nnk s PRO 21 CO 0.00 -0.46 0.10 0.96 0.04 0.00 0.00 177.00 177.64 3nnk s ILE 22 N -2.49 2.99 0.19 0.56 -5.25 -1.04 -4.87 121.20 111.29 3nnk s ILE 22 Ca 0.61 -1.78 -0.32 0.00 -0.99 0.00 0.00 60.65 58.18 3nnk s ILE 22 Cb -0.12 -2.93 -0.16 0.00 2.95 0.00 0.00 42.46 42.20 3nnk s ILE 22 CO 0.31 -0.21 1.03 0.59 -1.79 0.00 0.00 174.94 174.87 3nnk n ASN 23 N -1.08 0.83 -4.82 4.36 4.13 -1.26 -4.91 115.26 112.51 3nnk n ASN 23 Ca -0.04 1.15 -0.33 0.00 1.68 0.00 0.00 54.58 57.04 3nnk n ASN 23 Cb 0.61 -1.17 -0.07 0.00 -1.54 0.00 0.00 39.78 37.62 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 -0.47 3.07 0.16 5.41 0.00 -1.26 -4.53 121.76 124.14 3nnk s ALA 24 Ca 0.70 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 3nnk s ALA 24 Cb -0.87 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.04 3nnk s ALA 24 CO 0.55 0.15 1.60 0.34 0.00 0.00 0.00 175.76 178.39 3nnk s ASP 25 N -2.20 6.57 0.50 0.00 -1.08 0.18 -4.91 116.67 115.72 3nnk s ASP 25 Ca 0.61 2.63 0.24 0.00 -0.52 0.00 0.00 52.55 55.51 3nnk s ASP 25 Cb -0.09 -2.59 1.32 0.00 -1.46 0.00 0.00 42.92 40.09 3nnk s ASP 25 CO 0.14 -0.85 1.93 -0.65 0.52 0.00 0.00 175.17 176.26 3nnk h PRO 26 N 7.02 0.13 0.00 4.34 0.11 -1.95 0.47 132.00 142.13 3nnk h PRO 26 Ca -0.43 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 3nnk h PRO 26 Cb 1.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3nnk h PRO 26 CO 0.92 0.09 -0.25 0.00 -0.21 0.00 0.00 178.00 178.54 3nnk h ARG 27 N 0.14 0.00 0.05 1.05 -0.00 -1.95 -1.75 114.38 111.91 3nnk h ARG 27 Ca 0.36 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.71 3nnk h ARG 27 Cb 1.22 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.21 3nnk h ARG 27 CO -0.05 0.25 -0.55 0.28 0.00 0.00 0.00 179.97 179.91 3nnk h VAL 28 N 0.00 1.52 -0.68 2.04 2.07 -1.23 -2.09 116.25 117.89 3nnk h VAL 28 Ca -0.00 -2.25 0.05 0.00 0.82 0.00 0.00 66.70 65.32 3nnk h VAL 28 Cb 0.62 2.94 -0.05 0.00 -1.52 0.00 0.00 31.29 33.28 3nnk h VAL 28 CO 0.03 0.63 0.39 -0.07 0.02 0.00 0.00 177.57 178.58 3nnk h LEU 29 N -0.38 0.60 -0.72 2.57 3.38 -1.44 -2.35 115.31 116.98 3nnk h LEU 29 Ca -0.08 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3nnk h LEU 29 Cb 1.34 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3nnk h LEU 29 CO 0.10 0.40 0.21 0.03 0.09 0.00 0.00 178.44 179.27 3nnk h ARG 30 N 0.73 1.12 -0.27 1.13 3.08 -1.37 -2.66 114.38 116.14 3nnk h ARG 30 Ca 0.29 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3nnk h ARG 30 Cb 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3nnk h ARG 30 CO -0.16 0.97 0.18 0.00 -1.07 0.00 0.00 179.97 179.89 3nnk h ALA 31 N 1.10 1.93 0.00 0.04 0.00 -0.95 -2.33 119.26 119.05 3nnk h ALA 31 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3nnk h ALA 31 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3nnk h ALA 31 CO -0.00 0.03 0.00 0.52 0.00 0.00 0.00 179.25 179.80 3nnk h MET 32 N 0.26 0.00 -0.03 0.00 2.86 -1.06 -3.07 114.93 113.88 3nnk h MET 32 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3nnk h MET 32 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3nnk h MET 32 CO -0.02 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.82 3nnk n SER 33 N -2.59 0.94 -4.80 1.22 3.41 -0.88 -4.92 113.62 106.00 3nnk n SER 33 Ca 0.03 -1.37 -0.34 0.00 -0.26 0.00 0.00 58.87 56.94 3nnk n SER 33 Cb 0.37 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 3nnk n SER 33 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3nnk s SER 34 N -1.90 6.17 0.61 4.04 0.15 -1.16 -5.03 113.70 116.58 3nnk s SER 34 Ca 0.39 1.89 -0.16 0.00 0.70 0.00 0.00 55.95 58.77 3nnk s SER 34 Cb 0.20 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 3nnk s SER 34 CO 0.32 -0.90 1.09 0.00 1.20 0.00 0.00 173.24 174.95 3nnk s GLN 35 N -3.51 3.11 0.47 5.44 0.00 -1.26 -5.01 119.66 118.89 3nnk s GLN 35 Ca 0.66 1.33 -0.02 0.00 -0.00 0.00 0.00 55.36 57.33 3nnk s GLN 35 Cb -0.16 -2.00 -0.01 0.00 0.00 0.00 0.00 33.01 30.84 3nnk s GLN 35 CO 0.25 -1.00 0.72 -0.51 0.00 0.00 0.00 175.29 174.76 3nnk s LEU 36 N -4.57 3.60 0.21 2.60 1.43 -1.26 -5.10 118.68 115.59 3nnk s LEU 36 Ca 0.66 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.28 3nnk s LEU 36 Cb -0.19 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 3nnk s LEU 36 CO 0.37 -0.72 -0.03 0.27 0.23 0.00 0.00 176.35 176.48 3nnk s ILE 37 N -2.65 1.06 0.87 -0.59 -0.00 -1.26 -5.16 121.20 113.48 3nnk s ILE 37 Ca 0.48 -2.04 -0.10 0.00 -0.00 0.00 0.00 60.65 58.99 3nnk s ILE 37 Cb -0.10 -2.22 0.12 0.00 -0.00 0.00 0.00 42.46 40.25 3nnk s ILE 37 CO 0.40 -0.42 1.12 -0.83 -0.00 0.00 0.00 174.94 175.21 3nnk s GLY 38 N -3.27 1.67 0.23 6.27 0.00 -1.26 -4.93 107.32 106.03 3nnk s GLY 38 Ca 0.26 0.40 -0.07 0.00 0.00 0.00 0.00 44.72 45.31 3nnk s GLY 38 CO 0.07 0.81 1.71 -1.61 0.00 0.00 0.00 173.10 174.08 3nnk h GLN 39 N -1.61 0.32 -0.22 2.90 4.15 -2.01 -2.81 115.11 115.82 3nnk h GLN 39 Ca -0.44 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 58.92 3nnk h GLN 39 Cb 1.26 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 3nnk h GLN 39 CO 0.46 0.21 -0.02 0.66 -1.93 0.00 0.00 178.83 178.21 3nnk n TYR 40 N -5.08 0.77 -1.74 3.99 4.01 -1.26 -4.65 117.16 113.20 3nnk n TYR 40 Ca 0.12 -1.06 -0.42 0.00 -0.16 0.00 0.00 57.90 56.38 3nnk n TYR 40 Cb 0.38 -0.32 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 3nnk n TYR 40 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3nnk n ASP 41 N -0.83 3.80 -0.09 7.72 -0.08 -1.06 -4.85 116.55 121.15 3nnk n ASP 41 Ca 0.23 1.15 0.26 0.00 -1.51 0.00 0.00 54.79 54.92 3nnk n ASP 41 Cb 0.87 -1.59 0.69 0.00 2.34 0.00 0.00 41.12 43.43 3nnk n ASP 41 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3nnk h PRO 42 N 4.61 0.00 -0.00 -0.67 0.11 -1.94 0.84 132.00 134.94 3nnk h PRO 42 Ca -0.47 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 3nnk h PRO 42 Cb 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3nnk h PRO 42 CO 0.78 0.00 -1.01 0.00 -0.21 0.00 0.00 178.00 177.56 3nnk h ALA 43 N 1.28 0.21 -0.40 -0.75 0.00 -1.95 -2.16 119.26 115.50 3nnk h ALA 43 Ca 0.36 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3nnk h ALA 43 Cb 1.79 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3nnk h ALA 43 CO -0.00 0.73 0.00 1.98 0.00 0.00 0.00 179.25 181.96 3nnk h MET 44 N 0.34 0.70 0.00 0.00 -1.53 -1.13 -0.43 114.93 112.87 3nnk h MET 44 Ca -0.11 -0.22 -0.12 0.00 -3.44 0.00 0.00 59.70 55.81 3nnk h MET 44 Cb 1.66 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 32.63 3nnk h MET 44 CO 0.19 0.79 -0.55 1.79 0.14 0.00 0.00 176.91 179.27 3nnk h THR 45 N 0.53 1.27 -0.27 -0.77 1.35 -1.52 -1.19 112.91 112.32 3nnk h THR 45 Ca 0.11 -1.96 -0.05 0.00 -0.55 0.00 0.00 66.41 63.96 3nnk h THR 45 Cb 0.47 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 3nnk h THR 45 CO 0.02 0.54 -0.03 -0.74 -0.25 0.00 0.00 175.52 175.06 3nnk h HIS 46 N 0.00 0.55 -0.46 4.73 6.17 -1.23 -2.63 115.15 122.28 3nnk h HIS 46 Ca -0.01 -0.11 -0.09 0.00 0.71 0.00 0.00 60.37 60.88 3nnk h HIS 46 Cb 1.05 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.82 3nnk h HIS 46 CO 0.00 0.68 -0.08 1.88 0.71 0.00 0.00 177.93 181.12 3nnk h TYR 47 N 0.26 0.88 -0.76 5.26 0.99 -0.88 -2.04 116.97 120.67 3nnk h TYR 47 Ca 0.07 -0.15 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 3nnk h TYR 47 Cb 0.48 -0.23 -0.04 0.00 1.00 0.00 0.00 36.73 37.95 3nnk h TYR 47 CO 0.04 0.85 0.44 0.52 -0.00 0.00 0.00 178.16 180.01 3nnk h MET 48 N 0.73 1.04 -0.08 4.88 2.86 -1.24 -1.19 114.93 121.93 3nnk h MET 48 Ca 0.13 -0.10 -0.15 0.00 -2.06 0.00 0.00 59.70 57.52 3nnk h MET 48 Cb 0.56 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3nnk h MET 48 CO 0.03 0.74 -0.59 -0.91 1.06 0.00 0.00 176.91 177.25 3nnk h ASN 49 N 1.06 0.29 -0.04 1.22 -0.26 -1.16 -2.80 115.58 113.90 3nnk h ASN 49 Ca 0.27 -0.17 -0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3nnk h ASN 49 Cb -0.01 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.16 3nnk h ASN 49 CO -0.05 0.82 0.00 -0.33 -1.06 0.00 0.00 177.43 176.81 3nnk h GLU 50 N 0.20 0.06 -0.97 0.81 5.08 -1.00 -2.32 114.58 116.44 3nnk h GLU 50 Ca -0.00 -0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.49 3nnk h GLU 50 Cb 1.09 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.25 3nnk h GLU 50 CO 0.09 0.32 0.61 0.28 -1.00 0.00 0.00 179.01 179.31 3nnk h VAL 51 N -0.21 0.81 -0.21 3.13 2.07 -1.22 0.57 116.25 121.20 3nnk h VAL 51 Ca 0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3nnk h VAL 51 Cb 0.29 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3nnk h VAL 51 CO 0.00 0.14 0.07 0.24 0.02 0.00 0.00 177.57 178.04 3nnk h MET 52 N 0.79 0.32 -0.28 1.57 2.86 -1.40 -1.15 114.93 117.63 3nnk h MET 52 Ca 0.51 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.99 3nnk h MET 52 Cb 0.74 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3nnk h MET 52 CO -0.28 0.41 -0.20 0.00 1.06 0.00 0.00 176.91 177.90 3nnk h ALA 53 N 0.90 1.13 -0.19 6.32 0.00 -0.49 -2.27 119.26 124.65 3nnk h ALA 53 Ca 0.07 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3nnk h ALA 53 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3nnk h ALA 53 CO -0.00 0.54 -0.44 -0.07 0.00 0.00 0.00 179.25 179.28 3nnk h LEU 54 N 0.46 0.72 -0.20 0.00 3.38 0.18 -3.13 115.31 116.72 3nnk h LEU 54 Ca 0.07 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 3nnk h LEU 54 Cb 0.61 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3nnk h LEU 54 CO 0.04 1.15 -0.28 1.88 0.09 0.00 0.00 178.44 181.32 3nnk h TYR 55 N 0.31 0.00 -0.60 1.13 0.05 -1.20 -2.01 116.97 114.66 3nnk h TYR 55 Ca -0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 3nnk h TYR 55 Cb 1.05 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 3nnk h TYR 55 CO 0.09 0.28 0.40 0.00 -1.05 0.00 0.00 178.16 177.88 3nnk h ARG 56 N 0.00 0.65 -0.16 4.88 3.08 -1.45 0.96 114.38 122.34 3nnk h ARG 56 Ca -0.00 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 3nnk h ARG 56 Cb 1.14 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.05 3nnk h ARG 56 CO 0.04 0.43 -0.58 0.78 -1.07 0.00 0.00 179.97 179.57 3nnk h GLY 57 N 0.67 0.73 1.08 0.04 0.00 -1.35 -0.39 103.07 103.85 3nnk h GLY 57 Ca 0.25 -0.98 -0.16 0.00 0.00 0.00 0.00 47.33 46.43 3nnk h GLY 57 CO -0.07 0.88 -0.42 -2.08 0.00 0.00 0.00 176.54 174.85 3nnk h VAL 58 N 0.34 1.28 0.00 4.60 2.07 -1.05 -3.11 116.25 120.39 3nnk h VAL 58 Ca -0.03 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 3nnk h VAL 58 Cb 1.21 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3nnk h VAL 58 CO 0.12 0.52 -0.07 -0.26 0.02 0.00 0.00 177.57 177.91 3nnk h PHE 59 N 0.61 0.00 -4.13 1.57 0.04 -0.93 -3.47 116.94 110.64 3nnk h PHE 59 Ca 0.04 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.64 3nnk h PHE 59 Cb 1.02 0.00 0.10 0.00 2.20 0.00 0.00 35.95 39.27 3nnk h PHE 59 CO 0.07 0.07 -0.44 0.54 -0.60 0.00 0.00 178.31 177.95 3nnk n ARG 60 N -3.16 -2.75 -4.15 1.51 5.12 -1.06 -3.02 116.66 109.14 3nnk n ARG 60 Ca 0.01 0.47 -0.10 0.00 -1.93 0.00 0.00 57.85 56.30 3nnk n ARG 60 Cb 0.39 -4.17 -0.10 0.00 -1.16 0.00 0.00 32.46 27.42 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 -3.20 0.39 -0.81 0.55 -1.32 -0.18 -2.63 115.64 108.44 3nnk s THR 61 Ca 0.09 -1.90 0.08 0.00 -1.21 0.00 0.00 61.69 58.75 3nnk s THR 61 Cb -0.01 -1.80 0.14 0.00 -1.51 0.00 0.00 72.50 69.32 3nnk s THR 61 CO 0.40 -0.74 0.98 -0.62 -2.21 0.00 0.00 174.62 172.43 3nnk n GLU 62 N -0.04 1.58 -1.67 7.08 1.02 -1.26 -4.50 120.64 122.85 3nnk n GLU 62 Ca -0.10 -1.46 -0.50 0.00 -0.02 0.00 0.00 57.16 55.09 3nnk n GLU 62 Cb 0.62 -1.17 -0.05 0.00 -0.02 0.00 0.00 31.44 30.82 3nnk n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nnk n ASN 63 N 0.32 2.86 -0.37 1.62 3.02 -1.26 -4.88 115.26 116.58 3nnk n ASN 63 Ca 0.06 1.05 0.03 0.00 -0.03 0.00 0.00 54.58 55.69 3nnk n ASN 63 Cb 0.29 -1.32 0.18 0.00 -0.61 0.00 0.00 39.78 38.32 3nnk n ASN 63 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3nnk h ARG 64 N 7.14 1.15 -4.42 3.52 2.43 -1.96 -3.35 114.38 118.88 3nnk h ARG 64 Ca -0.47 -0.07 -0.75 0.00 -0.81 0.00 0.00 59.98 57.89 3nnk h ARG 64 Cb 1.29 -0.26 -0.21 0.00 -0.42 0.00 0.00 29.97 30.36 3nnk h ARG 64 CO 0.91 0.76 0.79 -1.58 -1.51 0.00 0.00 179.97 179.34 3nnk s TRP 65 N -6.04 3.60 -0.16 2.20 0.52 -1.26 -4.93 118.94 112.87 3nnk s TRP 65 Ca -0.12 -2.01 -0.01 0.00 0.02 0.00 0.00 56.10 53.98 3nnk s TRP 65 Cb 0.20 -4.12 0.04 0.00 -1.15 0.00 0.00 33.47 28.45 3nnk s TRP 65 CO 0.81 -1.26 -0.03 0.99 0.02 0.00 0.00 176.95 177.49 3nnk s THR 66 N 1.07 0.89 0.36 2.01 2.01 -1.26 -0.96 115.64 119.76 3nnk s THR 66 Ca 0.33 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 3nnk s THR 66 Cb -0.06 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.34 3nnk s THR 66 CO -0.06 0.08 0.60 0.00 -0.69 0.00 0.00 174.62 174.55 3nnk s MET 67 N 1.72 2.03 -0.03 4.92 0.23 -0.52 -4.30 119.30 123.35 3nnk s MET 67 Ca 0.01 -1.62 -0.03 0.00 -1.03 0.00 0.00 55.69 53.03 3nnk s MET 67 Cb -0.15 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.63 3nnk s MET 67 CO -0.07 -0.89 0.14 -0.51 -2.03 0.00 0.00 175.02 171.65 3nnk s LEU 68 N -3.16 4.20 -0.23 0.18 1.43 -1.26 -0.50 118.68 119.33 3nnk s LEU 68 Ca 0.24 0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.58 3nnk s LEU 68 Cb -0.02 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 3nnk s LEU 68 CO 0.16 0.30 0.04 -0.69 0.23 0.00 0.00 176.35 176.39 3nnk s VAL 69 N -1.21 4.14 -0.71 -1.59 1.01 0.29 -4.93 120.40 117.39 3nnk s VAL 69 Ca 0.23 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 3nnk s VAL 69 Cb -0.12 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 3nnk s VAL 69 CO 0.14 0.37 1.66 -1.81 0.00 0.00 0.00 175.10 175.46 3nnk s ASP 70 N 1.41 5.62 0.00 3.32 -0.00 -1.26 -1.15 116.67 124.60 3nnk s ASP 70 Ca 0.05 -0.13 0.00 0.00 -0.00 0.00 0.00 52.55 52.47 3nnk s ASP 70 Cb -0.15 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.23 3nnk s ASP 70 CO 0.02 -2.19 0.00 0.61 -0.00 0.00 0.00 175.17 173.61 3nnk n GLY 71 N 5.79 3.06 2.79 0.21 0.00 -0.94 -5.00 105.19 111.10 3nnk n GLY 71 Ca 0.18 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 3nnk n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3nnk n THR 72 N -1.30 0.00 -0.21 2.61 -2.24 -1.26 -2.37 114.28 109.52 3nnk n THR 72 Ca 0.00 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.47 3nnk n THR 72 Cb 0.00 -1.12 0.12 0.00 -2.10 0.00 0.00 70.33 67.23 3nnk n THR 72 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3nnk h SER 73 N -2.56 0.17 0.11 3.42 0.02 -1.80 -1.01 113.55 111.90 3nnk h SER 73 Ca -0.33 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3nnk h SER 73 Cb 1.03 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3nnk h SER 73 CO 0.21 0.09 0.00 -2.11 -1.14 0.00 0.00 176.83 173.89 3nnk n ARG 74 N -5.03 0.68 0.05 3.45 1.85 -1.26 -1.83 116.66 114.57 3nnk n ARG 74 Ca 0.10 0.01 -0.11 0.00 -1.00 0.00 0.00 57.85 56.86 3nnk n ARG 74 Cb 0.31 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.09 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 3.47 0.39 -0.25 2.89 0.00 -1.49 -2.23 119.26 122.04 3nnk h ALA 75 Ca 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 54.91 53.68 3nnk h ALA 75 Cb 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3nnk h ALA 75 CO 0.00 1.26 -0.51 0.78 0.00 0.00 0.00 179.25 180.78 3nnk h GLY 76 N 2.64 0.77 0.90 0.00 0.00 -1.36 0.18 103.07 106.19 3nnk h GLY 76 Ca -0.13 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.31 3nnk h GLY 76 CO 0.14 0.78 -0.14 -2.22 0.00 0.00 0.00 176.54 175.10 3nnk h ILE 77 N 0.55 0.74 -0.48 2.60 2.04 -1.61 -2.16 117.51 119.20 3nnk h ILE 77 Ca 0.02 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3nnk h ILE 77 Cb 1.08 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3nnk h ILE 77 CO 0.11 0.05 0.31 -0.08 0.00 0.00 0.00 178.15 178.53 3nnk h GLU 78 N -0.50 0.60 -0.04 2.37 4.81 -1.35 0.20 114.58 120.67 3nnk h GLU 78 Ca -0.04 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3nnk h GLU 78 Cb 0.37 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 3nnk h GLU 78 CO 0.07 0.40 -0.25 0.00 -0.73 0.00 0.00 179.01 178.49 3nnk h ALA 79 N 1.19 -0.31 -0.38 2.92 0.00 -0.66 -0.14 119.26 121.87 3nnk h ALA 79 Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3nnk h ALA 79 Cb -0.05 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3nnk h ALA 79 CO -0.05 -0.74 0.20 0.82 0.00 0.00 0.00 179.25 179.47 3nnk h ILE 80 N -0.37 1.16 -0.35 0.00 2.04 -1.07 -2.05 117.51 116.86 3nnk h ILE 80 Ca 0.07 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 3nnk h ILE 80 Cb 0.47 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3nnk h ILE 80 CO -0.25 0.17 -0.11 -0.07 0.00 0.00 0.00 178.15 177.88 3nnk h LEU 81 N 0.48 0.72 -0.92 1.44 3.38 -0.76 -1.40 115.31 118.26 3nnk h LEU 81 Ca 0.13 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3nnk h LEU 81 Cb 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3nnk h LEU 81 CO -0.02 0.93 -0.07 0.58 0.09 0.00 0.00 178.44 179.95 3nnk h VAL 82 N 0.49 1.25 0.00 1.22 2.07 -1.03 0.13 116.25 120.38 3nnk h VAL 82 Ca 0.09 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3nnk h VAL 82 Cb 0.63 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3nnk h VAL 82 CO 0.04 0.37 -0.14 0.28 0.02 0.00 0.00 177.57 178.14 3nnk h SER 83 N 0.66 0.00 0.00 0.57 0.02 -1.22 -3.31 113.55 110.27 3nnk h SER 83 Ca 0.12 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.80 3nnk h SER 83 Cb 0.51 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 3nnk h SER 83 CO 0.03 0.14 -2.22 0.00 -1.14 0.00 0.00 176.83 173.64 3nnk n ALA 84 N -2.16 1.81 -2.66 3.77 0.00 -0.54 -4.62 120.51 116.11 3nnk n ALA 84 Ca 0.01 -1.08 -0.44 0.00 0.00 0.00 0.00 53.44 51.93 3nnk n ALA 84 Cb 0.43 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.68 5.24 0.36 0.00 1.01 0.41 -5.05 121.20 120.49 3nnk s ILE 85 Ca -0.09 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 59.46 3nnk s ILE 85 Cb 0.07 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 3nnk s ILE 85 CO 0.80 -0.45 1.00 -0.13 0.00 0.00 0.00 174.94 176.16 3nnk s ARG 86 N 1.68 4.38 0.10 2.79 3.00 -1.26 -4.83 118.95 124.81 3nnk s ARG 86 Ca 0.05 1.43 -0.36 0.00 0.00 0.00 0.00 55.73 56.85 3nnk s ARG 86 Cb -0.22 -2.68 -0.17 0.00 0.00 0.00 0.00 34.95 31.88 3nnk s ARG 86 CO 0.08 0.07 1.23 -2.30 0.00 0.00 0.00 175.30 174.38 3nnk n PRO 87 N 0.26 0.94 -0.81 3.54 -0.02 -1.26 -1.40 135.00 136.25 3nnk n PRO 87 Ca 0.03 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3nnk n PRO 87 Cb 0.50 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.21 0.84 3.77 -1.23 0.00 0.21 -5.00 105.19 105.98 3nnk n GLY 88 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3nnk n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nnk s ASP 89 N -2.77 6.91 0.18 1.61 1.01 -0.50 -4.63 116.67 118.48 3nnk s ASP 89 Ca 0.00 2.16 -0.24 0.00 0.71 0.00 0.00 52.55 55.18 3nnk s ASP 89 Cb 0.00 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 3nnk s ASP 89 CO 0.00 -0.39 0.75 -0.54 0.21 0.00 0.00 175.17 175.20 3nnk s LYS 90 N -2.09 4.47 -0.02 8.23 1.02 -1.26 -1.04 119.74 129.05 3nnk s LYS 90 Ca 0.53 1.07 0.01 0.00 0.02 0.00 0.00 55.97 57.59 3nnk s LYS 90 Cb -0.27 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3nnk s LYS 90 CO 0.34 0.53 -0.01 0.08 -0.92 0.00 0.00 175.35 175.37 3nnk s VAL 91 N -1.24 0.19 -0.14 3.17 1.01 -0.87 -1.47 120.40 121.04 3nnk s VAL 91 Ca 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 3nnk s VAL 91 Cb -0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 3nnk s VAL 91 CO 0.24 0.10 -0.12 -0.22 0.00 0.00 0.00 175.10 175.11 3nnk s LEU 92 N 0.49 2.74 -0.17 3.92 2.96 -0.46 -0.28 118.68 127.88 3nnk s LEU 92 Ca -0.05 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3nnk s LEU 92 Cb -0.08 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 45.02 3nnk s LEU 92 CO -0.01 0.14 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.38 3nnk s VAL 93 N 0.52 1.33 -0.73 1.68 1.01 0.24 -0.59 120.40 123.86 3nnk s VAL 93 Ca -0.08 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 3nnk s VAL 93 Cb -0.16 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.82 3nnk s VAL 93 CO 0.04 0.21 1.43 -2.84 0.00 0.00 0.00 175.10 173.95 3nnk s PRO 94 N 1.55 3.07 -0.33 2.72 0.02 -1.24 -2.60 135.00 138.19 3nnk s PRO 94 Ca 0.01 -0.10 -0.24 0.00 0.02 0.00 0.00 61.00 60.69 3nnk s PRO 94 Cb -0.15 -4.32 0.00 0.00 0.02 0.00 0.00 34.50 30.06 3nnk s PRO 94 CO -0.08 -2.31 0.81 0.08 -0.33 0.00 0.00 177.00 175.16 3nnk s VAL 95 N 6.53 4.75 -0.00 3.83 1.01 -0.73 -4.72 120.40 131.06 3nnk s VAL 95 Ca 0.44 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.52 3nnk s VAL 95 Cb -0.09 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3nnk s VAL 95 CO 0.14 -0.34 0.59 2.22 0.00 0.00 0.00 175.10 177.72 3nnk n PHE 96 N 6.34 0.00 -3.24 5.22 1.16 -1.26 -3.29 117.46 122.39 3nnk n PHE 96 Ca 0.04 -0.09 -0.01 0.00 -1.87 0.00 0.00 57.45 55.51 3nnk n PHE 96 Cb 0.48 -0.01 0.01 0.00 -1.61 0.00 0.00 39.48 38.35 3nnk n PHE 96 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3nnk n GLY 97 N -0.09 1.65 0.25 4.97 0.00 -1.26 -4.64 105.19 106.06 3nnk n GLY 97 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 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 0.55 0.00 1.61 1.12 -1.93 -3.01 114.38 112.71 3nnk h ARG 98 Ca -0.06 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.63 3nnk h ARG 98 Cb 0.24 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 3nnk h ARG 98 CO 0.08 0.68 0.00 1.19 -3.11 0.00 0.00 179.97 178.81 3nnk n PHE 99 N -4.18 0.58 -0.09 2.20 3.72 -1.26 -2.19 117.46 116.25 3nnk n PHE 99 Ca 0.01 0.17 -0.07 0.00 -0.05 0.00 0.00 57.45 57.51 3nnk n PHE 99 Cb 0.35 -0.78 0.11 0.00 -0.94 0.00 0.00 39.48 38.22 3nnk n PHE 99 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3nnk h GLY 100 N 4.52 0.83 1.72 1.37 0.00 -1.85 -2.52 103.07 107.13 3nnk h GLY 100 Ca 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 3nnk h GLY 100 CO 0.00 0.60 -0.47 0.45 0.00 0.00 0.00 176.54 177.13 3nnk h HIS 101 N 0.68 0.37 -0.38 5.60 3.86 -1.51 -2.83 115.15 120.94 3nnk h HIS 101 Ca 0.11 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3nnk h HIS 101 Cb 0.65 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 3nnk h HIS 101 CO 0.03 0.72 -0.03 1.25 0.86 0.00 0.00 177.93 180.76 3nnk h LEU 102 N 0.25 0.68 -1.42 2.43 5.85 -1.41 -2.30 115.31 119.39 3nnk h LEU 102 Ca 0.02 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.50 3nnk h LEU 102 Cb 0.92 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3nnk h LEU 102 CO 0.08 0.85 0.49 -0.07 -0.34 0.00 0.00 178.44 179.44 3nnk h LEU 103 N 0.50 0.58 0.01 2.25 3.38 -1.40 -1.51 115.31 119.12 3nnk h LEU 103 Ca 0.10 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3nnk h LEU 103 Cb 0.52 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3nnk h LEU 103 CO 0.03 0.35 -0.00 0.00 0.09 0.00 0.00 178.44 178.90 3nnk h GLU 105 N -0.36 0.59 -0.58 0.00 4.39 -1.21 0.17 114.58 117.58 3nnk h GLU 105 Ca -0.00 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.66 3nnk h GLU 105 Cb 0.35 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 3nnk h GLU 105 CO 0.00 0.53 0.29 0.82 -1.16 0.00 0.00 179.01 179.49 3nnk h ILE 106 N 0.51 0.93 -0.77 3.13 2.04 -1.31 0.21 117.51 122.25 3nnk h ILE 106 Ca 0.14 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3nnk h ILE 106 Cb 0.14 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3nnk h ILE 106 CO -0.02 0.10 0.45 0.00 0.00 0.00 0.00 178.15 178.68 3nnk h ALA 107 N 1.32 0.98 -0.64 1.87 0.00 -0.77 -2.32 119.26 119.71 3nnk h ALA 107 Ca 0.26 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3nnk h ALA 107 Cb 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3nnk h ALA 107 CO -0.19 0.46 0.15 -0.09 0.00 0.00 0.00 179.25 179.58 3nnk h ARG 108 N 1.05 1.00 -0.34 0.00 2.43 0.32 -1.69 114.38 117.15 3nnk h ARG 108 Ca 0.27 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3nnk h ARG 108 Cb -0.01 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3nnk h ARG 108 CO -0.05 0.90 -0.05 0.00 -1.51 0.00 0.00 179.97 179.26 3nnk h ARG 109 N 0.96 0.54 0.00 0.20 2.47 -0.39 -1.28 114.38 116.88 3nnk h ARG 109 Ca 0.20 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3nnk h ARG 109 Cb 0.35 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3nnk h ARG 109 CO 0.00 0.61 0.00 0.00 0.56 0.00 0.00 179.97 181.14 3nnk n ARG 111 N -1.41 -3.36 -3.22 0.00 1.74 -0.48 -4.35 116.66 105.58 3nnk n ARG 111 Ca 0.06 0.40 -0.33 0.00 -0.77 0.00 0.00 57.85 57.21 3nnk n ARG 111 Cb 0.16 -4.13 -0.06 0.00 -1.02 0.00 0.00 32.46 27.41 3nnk n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk s ALA 112 N -3.07 3.40 -0.59 7.54 0.00 -0.66 -0.62 121.76 127.76 3nnk s ALA 112 Ca 0.24 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.89 3nnk s ALA 112 Cb -0.11 -2.67 0.04 0.00 0.00 0.00 0.00 23.12 20.38 3nnk s ALA 112 CO 0.30 0.38 1.12 -2.00 0.00 0.00 0.00 175.76 175.56 3nnk s GLU 113 N -2.84 3.40 -0.04 0.00 2.12 -0.21 -4.53 118.70 116.60 3nnk s GLU 113 Ca 0.51 -0.01 -0.26 0.00 0.36 0.00 0.00 54.97 55.56 3nnk s GLU 113 Cb -0.11 -4.06 -0.03 0.00 0.26 0.00 0.00 34.13 30.19 3nnk s GLU 113 CO 0.19 -1.68 0.83 0.08 -0.54 0.00 0.00 175.26 174.13 3nnk s VAL 114 N 4.70 4.97 -0.02 3.70 1.01 -1.26 -2.06 120.40 131.44 3nnk s VAL 114 Ca 0.37 1.72 0.07 0.00 0.00 0.00 0.00 61.98 64.14 3nnk s VAL 114 Cb -0.09 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3nnk s VAL 114 CO 0.22 0.21 -0.24 -1.00 0.00 0.00 0.00 175.10 174.28 3nnk s HIS 115 N 0.92 2.15 -0.01 5.22 3.76 0.61 -4.96 115.29 122.98 3nnk s HIS 115 Ca 0.44 -0.43 -0.01 0.00 -0.15 0.00 0.00 55.06 54.91 3nnk s HIS 115 Cb -0.19 -1.39 0.01 0.00 1.11 0.00 0.00 32.58 32.12 3nnk s HIS 115 CO 0.22 -0.05 0.03 0.95 -0.85 0.00 0.00 174.74 175.04 3nnk s THR 116 N -0.52 -0.02 0.23 1.30 -4.23 -1.26 -0.60 115.64 110.54 3nnk s THR 116 Ca 0.08 0.07 0.07 0.00 -1.18 0.00 0.00 61.69 60.74 3nnk s THR 116 Cb -0.10 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 3nnk s THR 116 CO -0.01 0.03 0.10 0.27 -0.54 0.00 0.00 174.62 174.48 3nnk s ILE 117 N 0.38 4.10 0.05 2.99 -4.36 -1.07 -4.98 121.20 118.29 3nnk s ILE 117 Ca -0.03 -1.47 0.02 0.00 -0.26 0.00 0.00 60.65 58.91 3nnk s ILE 117 Cb -0.04 -3.16 -0.03 0.00 1.25 0.00 0.00 42.46 40.48 3nnk s ILE 117 CO -0.01 -0.27 -0.07 -1.61 0.24 0.00 0.00 174.94 173.22 3nnk s GLU 118 N -3.52 0.53 0.11 0.37 2.02 -1.26 -1.78 118.70 115.17 3nnk s GLU 118 Ca 0.31 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.53 3nnk s GLU 118 Cb -0.08 -0.22 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 3nnk s GLU 118 CO 0.22 0.03 -0.10 0.14 0.02 0.00 0.00 175.26 175.57 3nnk s VAL 119 N -1.69 0.99 0.68 2.63 -7.23 -1.21 -5.03 120.40 109.55 3nnk s VAL 119 Ca -0.08 -1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 58.23 3nnk s VAL 119 Cb -0.08 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.42 3nnk s VAL 119 CO -0.01 -0.58 1.13 -2.16 -0.31 0.00 0.00 175.10 173.17 3nnk s PRO 120 N -2.94 2.64 0.02 4.82 0.04 -1.26 -4.65 135.00 133.67 3nnk s PRO 120 Ca 0.07 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 3nnk s PRO 120 Cb -0.02 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3nnk s PRO 120 CO 0.00 -1.39 1.25 -1.58 0.04 0.00 0.00 177.00 175.33 3nnk s TRP 121 N -2.27 3.24 -0.48 0.56 0.52 -1.26 0.08 118.94 119.33 3nnk s TRP 121 Ca 0.68 1.16 0.04 0.00 0.02 0.00 0.00 56.10 58.00 3nnk s TRP 121 Cb -0.22 -3.49 0.12 0.00 -1.15 0.00 0.00 33.47 28.73 3nnk s TRP 121 CO 0.42 -1.60 0.21 0.20 0.02 0.00 0.00 176.95 176.21 3nnk s GLY 122 N 1.34 2.32 0.54 0.98 0.00 -1.26 -5.01 107.32 106.23 3nnk s GLY 122 Ca 0.59 -3.10 0.03 0.00 0.00 0.00 0.00 44.72 42.24 3nnk s GLY 122 CO 0.27 1.00 0.20 -0.54 0.00 0.00 0.00 173.10 174.03 3nnk s GLU 123 N -0.01 2.23 0.19 2.90 2.02 0.11 -3.02 118.70 123.12 3nnk s GLU 123 Ca 0.16 -2.26 0.07 0.00 0.02 0.00 0.00 54.97 52.96 3nnk s GLU 123 Cb -0.24 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 3nnk s GLU 123 CO -0.02 -0.54 -0.14 0.54 0.02 0.00 0.00 175.26 175.12 3nnk s VAL 124 N -2.86 1.65 0.43 2.63 0.11 -1.26 -4.92 120.40 116.19 3nnk s VAL 124 Ca 0.16 -2.11 -0.08 0.00 -2.93 0.00 0.00 61.98 57.02 3nnk s VAL 124 Cb -0.01 -1.95 -0.05 0.00 -1.53 0.00 0.00 36.38 32.84 3nnk s VAL 124 CO 0.10 -0.56 0.77 -0.36 -3.33 0.00 0.00 175.10 171.72 3nnk s PHE 125 N -2.81 3.51 -0.08 1.54 0.08 -1.26 -5.02 117.98 113.95 3nnk s PHE 125 Ca 0.20 0.93 -0.04 0.00 0.12 0.00 0.00 56.93 58.14 3nnk s PHE 125 Cb -0.01 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 3nnk s PHE 125 CO 0.06 -0.18 0.09 0.99 -0.10 0.00 0.00 175.22 176.08 3nnk s THR 126 N -2.53 4.96 0.49 0.64 2.01 -1.26 -4.81 115.64 115.15 3nnk s THR 126 Ca 0.49 -0.09 0.24 0.00 0.31 0.00 0.00 61.69 62.65 3nnk s THR 126 Cb -0.10 -3.17 0.41 0.00 0.01 0.00 0.00 72.50 69.65 3nnk s THR 126 CO 0.37 0.54 1.92 -0.65 -0.69 0.00 0.00 174.62 176.12 3nnk h PRO 127 N 4.78 0.14 -0.18 4.92 0.11 -1.95 -0.73 132.00 139.09 3nnk h PRO 127 Ca -0.52 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.39 3nnk h PRO 127 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3nnk h PRO 127 CO 0.58 0.09 -0.66 -0.44 -0.21 0.00 0.00 178.00 177.36 3nnk h ASP 128 N 0.14 0.78 -0.38 -2.05 3.32 -1.98 -2.84 116.42 113.42 3nnk h ASP 128 Ca 0.37 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3nnk h ASP 128 Cb 1.23 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 3nnk h ASP 128 CO -0.05 1.24 0.25 1.56 -1.72 0.00 0.00 179.24 180.51 3nnk h GLN 129 N 0.49 0.51 -0.00 3.56 4.20 -1.55 -1.66 115.11 120.66 3nnk h GLN 129 Ca -0.02 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 3nnk h GLN 129 Cb 1.26 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 3nnk h GLN 129 CO 0.13 0.34 -0.63 -0.39 -0.67 0.00 0.00 178.83 177.61 3nnk h VAL 130 N 0.52 1.45 -0.16 -0.54 -1.51 -1.53 -2.65 116.25 111.82 3nnk h VAL 130 Ca 0.14 -2.17 -0.04 0.00 -1.23 0.00 0.00 66.70 63.40 3nnk h VAL 130 Cb -0.05 2.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 3nnk h VAL 130 CO -0.03 0.62 -0.04 -0.08 -1.23 0.00 0.00 177.57 176.81 3nnk h GLU 131 N 0.00 0.32 -0.96 5.19 4.81 -1.32 -0.42 114.58 122.21 3nnk h GLU 131 Ca -0.01 -0.12 0.13 0.00 -0.13 0.00 0.00 59.36 59.23 3nnk h GLU 131 Cb 1.12 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.40 3nnk h GLU 131 CO 0.08 0.60 0.58 -0.44 -0.73 0.00 0.00 179.01 179.10 3nnk h ASP 132 N 0.02 0.82 -0.45 1.04 3.45 -1.27 0.10 116.42 120.13 3nnk h ASP 132 Ca 0.04 0.06 -0.06 0.00 0.43 0.00 0.00 57.03 57.50 3nnk h ASP 132 Cb 0.48 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 3nnk h ASP 132 CO 0.02 0.41 0.06 0.00 -1.57 0.00 0.00 179.24 178.16 3nnk h ALA 133 N 1.54 0.60 -0.59 3.45 0.00 -1.29 -1.97 119.26 121.00 3nnk h ALA 133 Ca 0.49 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3nnk h ALA 133 Cb 0.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3nnk h ALA 133 CO -0.29 0.34 0.37 0.28 0.00 0.00 0.00 179.25 179.95 3nnk h VAL 134 N 0.62 1.17 -0.93 0.00 2.07 -0.01 -2.59 116.25 116.58 3nnk h VAL 134 Ca 0.14 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3nnk h VAL 134 Cb 0.41 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3nnk h VAL 134 CO 0.01 0.17 0.59 0.11 0.02 0.00 0.00 177.57 178.48 3nnk h LYS 135 N 0.80 1.24 -0.03 1.57 1.57 -0.75 0.01 116.57 120.98 3nnk h LYS 135 Ca 0.21 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3nnk h LYS 135 Cb -0.03 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 3nnk h LYS 135 CO -0.04 0.84 -0.67 0.00 -0.57 0.00 0.00 179.45 179.00 3nnk h ARG 136 N 1.27 0.14 0.00 3.15 3.08 -0.98 -3.35 114.38 117.69 3nnk h ARG 136 Ca 0.34 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3nnk h ARG 136 Cb -0.11 0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3nnk h ARG 136 CO -0.07 0.76 -0.92 0.44 -1.07 0.00 0.00 179.97 179.11 3nnk n ILE 137 N -3.79 0.00 -3.34 2.04 -0.00 -1.07 -5.07 119.36 108.13 3nnk n ILE 137 Ca -0.02 -0.19 -0.10 0.00 -0.00 0.00 0.00 62.75 62.44 3nnk n ILE 137 Cb 0.66 0.57 0.00 0.00 -0.00 0.00 0.00 39.64 40.88 3nnk n ILE 137 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 3nnk n ARG 138 N -1.50 -1.41 -2.37 6.28 3.00 -0.01 -4.97 116.66 115.67 3nnk n ARG 138 Ca -0.00 1.19 -0.28 0.00 -0.00 0.00 0.00 57.85 58.75 3nnk n ARG 138 Cb 0.11 -4.51 0.01 0.00 0.00 0.00 0.00 32.46 28.07 3nnk n ARG 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3nnk s PRO 139 N -3.82 3.42 -0.04 -0.14 0.04 -1.26 -4.93 135.00 128.27 3nnk s PRO 139 Ca 0.03 0.31 -0.16 0.00 0.04 0.00 0.00 61.00 61.22 3nnk s PRO 139 Cb -0.01 -2.27 -0.32 0.00 0.04 0.00 0.00 34.50 31.94 3nnk s PRO 139 CO 0.80 -0.42 0.80 -0.09 0.04 0.00 0.00 177.00 178.14 3nnk h ARG 140 N -0.02 0.39 -6.57 4.56 2.43 -1.60 -3.41 114.38 110.16 3nnk h ARG 140 Ca -0.46 -0.66 -0.70 0.00 -0.81 0.00 0.00 59.98 57.35 3nnk h ARG 140 Cb 1.21 0.25 -0.28 0.00 -0.42 0.00 0.00 29.97 30.73 3nnk h ARG 140 CO 0.62 1.32 -0.86 -0.51 -1.51 0.00 0.00 179.97 179.02 3nnk s LEU 141 N -7.59 2.22 -0.35 3.80 2.01 -1.17 0.11 118.68 117.71 3nnk s LEU 141 Ca -0.14 -0.43 -0.06 0.00 0.01 0.00 0.00 54.13 53.51 3nnk s LEU 141 Cb 0.04 -1.38 0.05 0.00 0.01 0.00 0.00 46.19 44.91 3nnk s LEU 141 CO 0.86 0.31 0.12 -0.22 1.01 0.00 0.00 176.35 178.43 3nnk s LEU 142 N -0.75 4.45 -0.24 1.79 2.96 0.10 -1.35 118.68 125.64 3nnk s LEU 142 Ca 0.11 -1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 52.62 3nnk s LEU 142 Cb -0.10 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3nnk s LEU 142 CO -0.00 -0.36 0.14 -0.76 -1.32 0.00 0.00 176.35 174.04 3nnk s LEU 143 N 1.35 3.93 0.03 -0.68 1.43 0.25 -1.15 118.68 123.84 3nnk s LEU 143 Ca -0.01 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3nnk s LEU 143 Cb -0.20 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 3nnk s LEU 143 CO 0.01 0.04 -0.06 0.42 0.23 0.00 0.00 176.35 176.99 3nnk s THR 144 N 1.20 0.40 -0.07 5.49 -4.23 -1.05 -3.63 115.64 113.75 3nnk s THR 144 Ca 0.06 -0.91 -0.13 0.00 -1.18 0.00 0.00 61.69 59.53 3nnk s THR 144 Cb -0.14 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 73.18 3nnk s THR 144 CO 0.05 -0.35 0.33 -0.69 -0.54 0.00 0.00 174.62 173.42 3nnk s VAL 145 N -1.23 5.20 -0.13 2.29 1.01 -1.26 -0.58 120.40 125.71 3nnk s VAL 145 Ca -0.10 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 3nnk s VAL 145 Cb -0.09 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 3nnk s VAL 145 CO -0.00 0.54 0.23 -0.61 0.00 0.00 0.00 175.10 175.26 3nnk h GLN 146 N 5.27 0.00 -4.84 2.72 4.15 -1.45 -3.43 115.11 117.52 3nnk h GLN 146 Ca -0.50 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 58.28 3nnk h GLN 146 Cb 1.21 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.54 3nnk h GLN 146 CO 0.64 0.39 -0.84 0.20 -1.93 0.00 0.00 178.83 177.29 3nnk s GLY 147 N -3.95 1.30 -0.46 2.39 0.00 -1.26 -0.17 107.32 105.18 3nnk s GLY 147 Ca -0.10 -1.15 -0.13 0.00 0.00 0.00 0.00 44.72 43.34 3nnk s GLY 147 CO 0.29 0.45 0.36 -0.35 0.00 0.00 0.00 173.10 173.84 3nnk s ASP 148 N 1.36 5.93 0.65 1.64 -1.08 -0.93 -4.54 116.67 119.70 3nnk s ASP 148 Ca 0.03 -1.50 0.40 0.00 -0.52 0.00 0.00 52.55 50.96 3nnk s ASP 148 Cb -0.14 -2.10 2.22 0.00 -1.46 0.00 0.00 42.92 41.44 3nnk s ASP 148 CO -0.11 -0.64 2.29 0.71 0.52 0.00 0.00 175.17 177.94 3nnk h THR 149 N 5.92 0.09 0.00 1.71 1.35 -1.95 0.34 112.91 120.37 3nnk h THR 149 Ca -0.26 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.56 3nnk h THR 149 Cb 1.10 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 3nnk h THR 149 CO 0.85 0.00 -0.17 0.77 -0.25 0.00 0.00 175.52 176.72 3nnk h SER 150 N 0.00 0.00 0.00 5.36 4.64 -1.97 -3.22 113.55 118.36 3nnk h SER 150 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3nnk h SER 150 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3nnk h SER 150 CO -0.00 0.17 0.00 0.35 -0.87 0.00 0.00 176.83 176.48 3nnk n THR 151 N -3.59 0.00 -1.63 2.95 -2.24 -0.37 -4.90 114.28 104.49 3nnk n THR 151 Ca -0.01 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 61.18 3nnk n THR 151 Cb 0.31 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.53 -0.13 -3.93 4.28 -2.24 -0.03 -4.84 114.28 106.85 3nnk n THR 152 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3nnk n THR 152 Cb 0.02 -1.87 -0.07 0.00 -2.10 0.00 0.00 70.33 66.30 3nnk n THR 152 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 153 N -3.69 3.49 -0.31 -0.78 -1.94 -1.21 -1.50 119.30 113.36 3nnk s MET 153 Ca 0.00 -0.19 -0.05 0.00 -1.71 0.00 0.00 55.69 53.75 3nnk s MET 153 Cb 0.00 -3.16 0.04 0.00 2.01 0.00 0.00 34.83 33.71 3nnk s MET 153 CO 0.00 0.70 0.05 -1.17 -0.01 0.00 0.00 175.02 174.58 3nnk s LEU 154 N -0.80 3.96 -0.13 -0.03 1.98 0.16 -2.19 118.68 121.64 3nnk s LEU 154 Ca 0.13 -1.06 -0.28 0.00 -2.89 0.00 0.00 54.13 50.03 3nnk s LEU 154 Cb -0.12 -1.80 -0.01 0.00 0.66 0.00 0.00 46.19 44.92 3nnk s LEU 154 CO 0.03 -0.26 0.96 -1.58 -1.89 0.00 0.00 176.35 173.62 3nnk s GLN 155 N 1.37 4.38 0.20 1.98 2.00 0.77 -4.82 119.66 125.54 3nnk s GLN 155 Ca -0.02 1.29 -0.32 0.00 -2.00 0.00 0.00 55.36 54.32 3nnk s GLN 155 Cb -0.19 -3.55 -0.12 0.00 0.80 0.00 0.00 33.01 29.95 3nnk s GLN 155 CO 0.01 -0.33 1.72 -2.14 -0.50 0.00 0.00 175.29 174.04 3nnk s PRO 156 N 2.10 4.13 0.00 1.67 0.02 -1.26 -4.86 135.00 136.79 3nnk s PRO 156 Ca 0.45 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.07 3nnk s PRO 156 Cb -0.18 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3nnk s PRO 156 CO 0.16 -0.75 0.00 1.28 -0.33 0.00 0.00 177.00 177.36 3nnk n LEU 157 N 4.03 0.00 0.29 -5.54 4.32 -1.26 -4.73 117.00 114.11 3nnk n LEU 157 Ca 0.16 -0.47 0.15 0.00 -0.02 0.00 0.00 56.01 55.84 3nnk n LEU 157 Cb 0.35 0.00 0.86 0.00 -1.62 0.00 0.00 43.42 43.01 3nnk n LEU 157 CO 0.64 0.00 1.05 0.00 -1.22 0.00 0.00 177.39 177.86 3nnk h ALA 158 N 0.00 1.27 0.00 -1.18 0.00 -1.91 -2.86 119.26 114.57 3nnk h ALA 158 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3nnk h ALA 158 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3nnk h ALA 158 CO 0.00 0.07 -0.91 0.39 0.00 0.00 0.00 179.25 178.81 3nnk n GLU 159 N -3.54 1.82 0.05 0.00 1.02 -1.26 -4.43 120.64 114.30 3nnk n GLU 159 Ca -0.02 -0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.21 3nnk n GLU 159 Cb 0.18 -1.22 0.49 0.00 -0.02 0.00 0.00 31.44 30.86 3nnk n GLU 159 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3nnk n LEU 160 N -1.49 0.37 0.07 -4.62 4.32 -1.08 -3.50 117.00 111.07 3nnk n LEU 160 Ca 0.01 0.55 -0.13 0.00 -0.02 0.00 0.00 56.01 56.43 3nnk n LEU 160 Cb 0.26 -0.44 -0.05 0.00 -1.62 0.00 0.00 43.42 41.57 3nnk n LEU 160 CO 0.30 -0.17 0.18 1.23 -1.22 0.00 0.00 177.39 177.71 3nnk h GLY 161 N 4.18 0.39 1.07 -0.72 0.00 -1.66 -3.23 103.07 103.10 3nnk h GLY 161 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 3nnk h GLY 161 CO 0.00 0.63 0.08 0.83 0.00 0.00 0.00 176.54 178.08 3nnk h GLU 162 N 0.19 1.10 -0.42 4.80 4.39 -1.84 -2.66 114.58 120.14 3nnk h GLU 162 Ca -0.08 -0.31 -0.08 0.00 0.34 0.00 0.00 59.36 59.24 3nnk h GLU 162 Cb 1.59 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 3nnk h GLU 162 CO 0.16 1.02 -0.07 0.82 -1.16 0.00 0.00 179.01 179.78 3nnk h ILE 163 N 1.01 1.25 -0.07 3.13 2.04 -1.71 -1.95 117.51 121.20 3nnk h ILE 163 Ca 0.20 -1.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.83 3nnk h ILE 163 Cb 0.47 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3nnk h ILE 163 CO 0.02 0.37 -0.63 0.00 0.00 0.00 0.00 178.15 177.91 3nnk h ARG 165 N 0.20 0.25 -0.18 0.00 -0.00 -1.32 -0.84 114.38 112.50 3nnk h ARG 165 Ca -0.01 -0.19 -0.14 0.00 -0.00 0.00 0.00 59.98 59.64 3nnk h ARG 165 Cb 1.15 0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.16 3nnk h ARG 165 CO 0.10 0.83 -0.44 0.00 -0.00 0.00 0.00 179.97 180.46 3nnk h ARG 166 N 0.18 0.61 -0.51 0.08 3.08 -1.24 -3.34 114.38 113.23 3nnk h ARG 166 Ca -0.02 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3nnk h ARG 166 Cb 1.20 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3nnk h ARG 166 CO 0.10 1.04 0.00 0.66 -1.07 0.00 0.00 179.97 180.70 3nnk n TYR 167 N -4.23 0.67 -3.21 3.04 4.01 -0.68 -4.96 117.16 111.81 3nnk n TYR 167 Ca -0.06 -0.34 -0.21 0.00 -0.16 0.00 0.00 57.90 57.12 3nnk n TYR 167 Cb 0.56 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.64 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 1.55 -5.90 -4.86 7.72 4.64 -0.75 -4.97 116.55 113.98 3nnk n ASP 168 Ca 0.21 -0.37 -0.37 0.00 -1.38 0.00 0.00 54.79 52.88 3nnk n ASP 168 Cb 0.61 -4.63 -0.06 0.00 -1.04 0.00 0.00 41.12 36.01 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 -3.21 3.79 0.03 -1.67 0.00 -0.39 -4.88 121.76 115.43 3nnk s ALA 169 Ca 0.40 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 3nnk s ALA 169 Cb -0.18 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 3nnk s ALA 169 CO 0.49 0.56 0.91 -0.51 0.00 0.00 0.00 175.76 177.21 3nnk s LEU 170 N -1.18 4.42 -0.30 0.00 1.43 0.12 -4.53 118.68 118.62 3nnk s LEU 170 Ca 0.21 1.62 -0.06 0.00 -1.03 0.00 0.00 54.13 54.87 3nnk s LEU 170 Cb -0.14 -3.47 0.02 0.00 0.03 0.00 0.00 46.19 42.62 3nnk s LEU 170 CO 0.10 -0.14 0.08 0.12 0.23 0.00 0.00 176.35 176.73 3nnk s PHE 171 N 0.52 3.17 0.03 0.29 5.36 -1.26 0.02 117.98 126.10 3nnk s PHE 171 Ca 0.47 -1.12 0.05 0.00 -0.96 0.00 0.00 56.93 55.36 3nnk s PHE 171 Cb -0.21 -2.24 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 3nnk s PHE 171 CO 0.27 -0.62 -0.10 -0.47 -1.46 0.00 0.00 175.22 172.83 3nnk s TYR 172 N 1.46 2.77 -0.00 10.12 6.14 -0.30 -0.84 117.35 136.70 3nnk s TYR 172 Ca 0.01 -0.12 0.01 0.00 0.64 0.00 0.00 57.07 57.61 3nnk s TYR 172 Cb -0.18 -1.54 -0.00 0.00 0.42 0.00 0.00 41.96 40.66 3nnk s TYR 172 CO 0.02 0.35 -0.03 -0.08 0.64 0.00 0.00 175.55 176.45 3nnk s THR 173 N -1.02 0.21 -0.25 4.34 -1.32 -0.52 -2.52 115.64 114.56 3nnk s THR 173 Ca 0.17 -0.16 -0.19 0.00 -1.21 0.00 0.00 61.69 60.31 3nnk s THR 173 Cb -0.11 -0.19 -0.02 0.00 -1.51 0.00 0.00 72.50 70.67 3nnk s THR 173 CO 0.08 0.03 0.57 -0.62 -2.21 0.00 0.00 174.62 172.47 3nnk s ASP 174 N -0.13 6.51 -0.08 8.08 2.15 0.26 -2.10 116.67 131.36 3nnk s ASP 174 Ca 0.00 0.62 0.12 0.00 0.43 0.00 0.00 52.55 53.72 3nnk s ASP 174 Cb -0.01 -2.31 0.19 0.00 -0.30 0.00 0.00 42.92 40.49 3nnk s ASP 174 CO -0.00 -0.31 1.10 0.00 -0.17 0.00 0.00 175.17 175.78 3nnk n ALA 175 N 5.52 2.23 -0.17 3.66 0.00 0.08 -1.12 120.51 130.72 3nnk n ALA 175 Ca -0.03 -2.02 0.08 0.00 0.00 0.00 0.00 53.44 51.48 3nnk n ALA 175 Cb 0.49 -0.44 0.39 0.00 0.00 0.00 0.00 19.45 19.90 3nnk n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nnk h THR 176 N 2.98 0.97 0.00 0.00 1.03 -1.85 0.13 112.91 116.18 3nnk h THR 176 Ca -0.01 -0.23 -0.24 0.00 -0.01 0.00 0.00 66.41 65.93 3nnk h THR 176 Cb 1.18 0.24 -0.03 0.00 -1.07 0.00 0.00 68.15 68.47 3nnk h THR 176 CO 0.00 0.12 -1.21 0.00 -0.01 0.00 0.00 175.52 174.42 3nnk h ALA 177 N 1.63 0.47 0.00 0.00 0.00 -1.88 -3.39 119.26 116.08 3nnk h ALA 177 Ca 0.32 -1.07 -0.37 0.00 0.00 0.00 0.00 54.91 53.79 3nnk h ALA 177 Cb 0.39 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3nnk h ALA 177 CO -0.11 1.34 -2.36 -1.13 0.00 0.00 0.00 179.25 176.99 3nnk n SER 178 N -3.27 0.23 -4.69 0.00 3.41 -0.95 -4.65 113.62 103.70 3nnk n SER 178 Ca -0.05 0.01 -0.44 0.00 -0.26 0.00 0.00 58.87 58.13 3nnk n SER 178 Cb 0.97 0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 65.71 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 -2.81 3.80 0.00 1.04 7.94 0.42 -0.76 117.00 126.63 3nnk n LEU 179 Ca -0.33 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.57 3nnk n LEU 179 Cb 1.14 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 43.59 3nnk n LEU 179 CO 0.42 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 3nnk n GLY 180 N 4.10 2.94 0.03 -3.96 0.00 -1.26 -4.37 105.19 102.68 3nnk n GLY 180 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.21 3nnk n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 181 N 0.00 0.18 3.01 -0.02 0.00 -0.89 -3.74 105.19 103.73 3nnk n GLY 181 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.64 0.37 0.36 1.61 0.01 0.06 -4.61 114.94 111.10 3nnk s ASN 182 Ca 0.04 -0.59 -0.28 0.00 -0.71 0.00 0.00 52.86 51.31 3nnk s ASN 182 Cb 0.06 0.11 -0.11 0.00 0.41 0.00 0.00 41.25 41.71 3nnk s ASN 182 CO 0.30 -0.33 1.47 -2.65 -1.51 0.00 0.00 177.10 174.38 3nnk n PRO 183 N 1.34 2.58 -3.33 -0.60 -0.02 -1.26 -4.62 135.00 129.08 3nnk n PRO 183 Ca -0.22 0.91 -0.11 0.00 -2.02 0.00 0.00 63.50 62.05 3nnk n PRO 183 Cb 0.56 -2.62 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 3nnk n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3nnk s LEU 184 N -1.58 -0.63 -0.91 2.45 2.96 -1.26 -4.99 118.68 114.72 3nnk s LEU 184 Ca 0.56 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.88 3nnk s LEU 184 Cb -0.50 0.95 0.24 0.00 0.50 0.00 0.00 46.19 47.37 3nnk s LEU 184 CO 0.61 -0.36 0.86 -1.61 -1.32 0.00 0.00 176.35 174.52 3nnk s GLU 185 N 2.50 3.74 0.15 1.98 0.41 -1.26 -4.42 118.70 121.80 3nnk s GLU 185 Ca 0.10 -2.71 -0.16 0.00 -0.41 0.00 0.00 54.97 51.79 3nnk s GLU 185 Cb -0.13 -4.43 0.06 0.00 -1.78 0.00 0.00 34.13 27.84 3nnk s GLU 185 CO -0.30 -1.27 1.76 1.15 -0.49 0.00 0.00 175.26 176.10 3nnk h THR 186 N 4.45 0.92 -0.08 3.63 2.02 -1.52 -0.08 112.91 122.26 3nnk h THR 186 Ca 0.13 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3nnk h THR 186 Cb 0.98 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3nnk h THR 186 CO 0.83 0.06 -0.11 0.44 0.37 0.00 0.00 175.52 177.10 3nnk h ASP 187 N 0.31 0.23 0.20 4.18 5.19 -1.79 -2.41 116.42 122.33 3nnk h ASP 187 Ca 0.16 -0.52 -0.10 0.00 -0.62 0.00 0.00 57.03 55.95 3nnk h ASP 187 Cb 0.12 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 3nnk h ASP 187 CO -0.15 0.71 -0.38 -0.37 -3.12 0.00 0.00 179.24 175.93 3nnk h VAL 188 N -0.24 1.30 -0.36 -1.35 -1.51 -1.81 -3.00 116.25 109.28 3nnk h VAL 188 Ca 0.01 -1.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 3nnk h VAL 188 Cb 0.66 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 3nnk h VAL 188 CO 0.03 0.43 0.00 0.79 -1.23 0.00 0.00 177.57 177.59 3nnk n TRP 189 N -4.05 0.70 -3.09 5.19 8.01 -0.05 -4.92 117.44 119.22 3nnk n TRP 189 Ca -0.01 -0.29 -0.22 0.00 -1.31 0.00 0.00 57.50 55.66 3nnk n TRP 189 Cb 0.46 -0.10 0.02 0.00 -2.01 0.00 0.00 31.31 29.68 3nnk n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3nnk n GLY 190 N 0.86 -0.51 3.73 6.99 0.00 -1.13 -3.79 105.19 111.33 3nnk n GLY 190 Ca 0.13 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.58 4.47 -0.13 0.99 1.43 -0.91 -4.75 118.68 113.21 3nnk s LEU 191 Ca 0.32 1.74 0.08 0.00 -1.03 0.00 0.00 54.13 55.24 3nnk s LEU 191 Cb -0.15 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.28 3nnk s LEU 191 CO 0.39 -0.10 0.34 0.47 0.23 0.00 0.00 176.35 177.68 3nnk n ASP 192 N 3.00 1.07 -3.71 2.29 8.00 -0.02 -4.66 116.55 122.52 3nnk n ASP 192 Ca 0.03 0.20 -0.11 0.00 0.71 0.00 0.00 54.79 55.61 3nnk n ASP 192 Cb 0.50 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.55 -0.82 -0.07 2.24 0.00 -1.04 -0.40 121.76 119.12 3nnk s ALA 193 Ca -0.14 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3nnk s ALA 193 Cb 0.07 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.44 3nnk s ALA 193 CO 0.79 -0.23 -0.11 0.08 0.00 0.00 0.00 175.76 176.28 3nnk s VAL 194 N 1.25 1.09 0.21 0.00 1.01 -0.99 -1.44 120.40 121.54 3nnk s VAL 194 Ca -0.09 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.54 3nnk s VAL 194 Cb -0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3nnk s VAL 194 CO -0.10 0.35 -0.04 -0.94 0.00 0.00 0.00 175.10 174.37 3nnk s SER 195 N 0.74 4.47 0.00 3.32 1.04 -0.89 -1.65 113.70 120.73 3nnk s SER 195 Ca -0.13 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.73 3nnk s SER 195 Cb -0.16 -0.83 0.00 0.00 0.10 0.00 0.00 66.02 65.14 3nnk s SER 195 CO 0.03 0.06 0.00 0.00 0.98 0.00 0.00 173.24 174.31 3nnk n ALA 196 N -0.35 0.00 -3.06 5.32 0.00 -0.32 -0.74 120.51 121.35 3nnk n ALA 196 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 3nnk n ALA 196 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.87 0.97 -0.22 0.00 0.00 -1.26 -3.86 107.32 102.09 3nnk s GLY 197 Ca 0.00 -1.18 0.11 0.00 0.00 0.00 0.00 44.72 43.65 3nnk s GLY 197 CO 0.00 -0.80 -0.05 1.03 0.00 0.00 0.00 173.10 173.28 3nnk n MET 198 N -0.46 0.72 -0.59 2.90 0.00 -1.25 -4.68 117.12 113.75 3nnk n MET 198 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 57.70 57.69 3nnk n MET 198 Cb 0.62 -1.51 0.01 0.00 0.00 0.00 0.00 33.22 32.35 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3nnk n GLN 199 N -2.93 1.26 0.09 0.03 0.00 -1.19 0.31 117.38 114.96 3nnk n GLN 199 Ca -0.37 -0.51 0.05 0.00 0.00 0.00 0.00 57.00 56.17 3nnk n GLN 199 Cb 1.08 -1.20 0.28 0.00 0.00 0.00 0.00 30.24 30.39 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 0.06 -2.57 0.00 4.07 -1.78 -3.32 115.31 111.76 3nnk h LEU 202 Ca 0.00 -0.98 0.00 0.00 0.08 0.00 0.00 57.88 56.98 3nnk h LEU 202 Cb 0.24 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3nnk h LEU 202 CO 0.00 1.07 -0.02 0.61 -1.08 0.00 0.00 178.44 179.02 3nnk n GLY 203 N 1.61 -0.94 0.00 0.83 0.00 0.15 -4.80 105.19 102.04 3nnk n GLY 203 Ca -0.11 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.45 0.77 3.77 -0.02 0.00 -1.26 -0.65 105.19 106.35 3nnk n GLY 204 Ca 0.00 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.73 4.58 0.53 1.61 0.04 -1.26 -3.14 135.00 136.64 3nnk s PRO 205 Ca 0.00 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 3nnk s PRO 205 Cb 0.00 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 3nnk s PRO 205 CO 0.00 0.25 1.26 -1.54 0.04 0.00 0.00 177.00 177.00 3nnk s SER 206 N -1.35 5.51 0.00 6.66 1.04 -1.26 -4.51 113.70 119.79 3nnk s SER 206 Ca 0.48 2.52 0.00 0.00 0.48 0.00 0.00 55.95 59.44 3nnk s SER 206 Cb -0.24 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.27 3nnk s SER 206 CO 0.30 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3nnk n GLY 207 N 0.59 0.06 2.96 7.32 0.00 -1.26 -4.99 105.19 109.87 3nnk n GLY 207 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.32 -0.33 2.61 2.01 -1.00 -2.22 115.64 117.03 3nnk s THR 208 Ca 0.00 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.56 3nnk s THR 208 Cb 0.00 -0.32 0.10 0.00 0.01 0.00 0.00 72.50 72.29 3nnk s THR 208 CO 0.00 -0.09 0.09 -0.55 -0.69 0.00 0.00 174.62 173.38 3nnk s SER 209 N -0.58 4.29 0.16 3.53 0.15 -0.30 -3.88 113.70 117.07 3nnk s SER 209 Ca -0.03 -1.89 -0.31 0.00 0.70 0.00 0.00 55.95 54.42 3nnk s SER 209 Cb -0.04 -1.16 -0.09 0.00 -1.71 0.00 0.00 66.02 63.01 3nnk s SER 209 CO -0.00 -0.39 1.43 -2.84 1.20 0.00 0.00 173.24 172.63 3nnk s PRO 210 N 1.27 4.30 0.15 5.44 0.02 -1.25 -0.55 135.00 144.38 3nnk s PRO 210 Ca 0.11 2.18 0.05 0.00 0.02 0.00 0.00 61.00 63.36 3nnk s PRO 210 Cb -0.18 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 3nnk s PRO 210 CO -0.17 -0.44 -0.12 0.96 -0.33 0.00 0.00 177.00 176.90 3nnk s ILE 211 N 0.75 1.29 -0.04 2.83 -4.36 0.34 -1.18 121.20 120.82 3nnk s ILE 211 Ca 0.64 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.99 3nnk s ILE 211 Cb -0.39 -1.80 0.01 0.00 1.25 0.00 0.00 42.46 41.53 3nnk s ILE 211 CO 0.34 -0.65 0.11 0.28 0.24 0.00 0.00 174.94 175.26 3nnk s THR 212 N -3.00 -0.01 -0.10 8.37 -1.32 -0.66 -1.43 115.64 117.50 3nnk s THR 212 Ca 0.16 0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.68 3nnk s THR 212 Cb 0.00 -0.17 0.01 0.00 -1.51 0.00 0.00 72.50 70.84 3nnk s THR 212 CO 0.02 0.01 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.53 3nnk s LEU 213 N 0.19 1.74 0.79 9.08 1.43 -0.13 -2.34 118.68 129.44 3nnk s LEU 213 Ca -0.01 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 3nnk s LEU 213 Cb -0.02 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.20 3nnk s LEU 213 CO -0.01 0.03 1.10 -0.94 0.23 0.00 0.00 176.35 176.76 3nnk s SER 214 N 0.87 4.28 0.49 2.29 1.04 0.46 -4.35 113.70 118.78 3nnk s SER 214 Ca -0.09 1.86 0.22 0.00 0.48 0.00 0.00 55.95 58.42 3nnk s SER 214 Cb -0.15 -2.52 1.27 0.00 0.10 0.00 0.00 66.02 64.72 3nnk s SER 214 CO 0.00 -2.19 1.95 0.00 0.98 0.00 0.00 173.24 173.99 3nnk h ALA 215 N -1.23 2.39 -0.10 5.32 0.00 -1.96 -1.15 119.26 122.52 3nnk h ALA 215 Ca -0.44 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 3nnk h ALA 215 Cb 1.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3nnk h ALA 215 CO 0.50 -0.57 -0.87 0.07 0.00 0.00 0.00 179.25 178.38 3nnk h ARG 216 N 0.16 0.75 -0.71 0.00 -0.00 -1.94 -3.23 114.38 109.42 3nnk h ARG 216 Ca 0.32 -0.67 -0.03 0.00 -0.00 0.00 0.00 59.98 59.60 3nnk h ARG 216 Cb 1.03 0.16 -0.03 0.00 -0.00 0.00 0.00 29.97 31.13 3nnk h ARG 216 CO -0.05 1.27 0.33 0.52 -0.00 0.00 0.00 179.97 182.04 3nnk h MET 217 N 0.48 1.03 -0.39 0.08 2.07 -1.51 -2.89 114.93 113.81 3nnk h MET 217 Ca -0.08 -0.16 -0.04 0.00 -2.07 0.00 0.00 59.70 57.35 3nnk h MET 217 Cb 1.50 -0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 31.03 3nnk h MET 217 CO 0.17 0.82 0.06 1.05 1.07 0.00 0.00 176.91 180.09 3nnk h GLU 218 N 1.00 0.58 -0.10 1.72 4.11 -1.46 -2.43 114.58 118.00 3nnk h GLU 218 Ca 0.24 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.56 3nnk h GLU 218 Cb 0.14 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3nnk h GLU 218 CO -0.03 0.56 0.04 1.49 0.07 0.00 0.00 179.01 181.14 3nnk h GLU 219 N 0.57 0.15 -0.07 1.06 4.81 -1.53 0.73 114.58 120.29 3nnk h GLU 219 Ca 0.13 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3nnk h GLU 219 Cb 0.27 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3nnk h GLU 219 CO 0.00 0.25 0.08 0.00 -0.73 0.00 0.00 179.01 178.61 3nnk h ALA 220 N 0.89 1.61 0.07 2.92 0.00 -1.28 -1.24 119.26 122.23 3nnk h ALA 220 Ca 0.03 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 3nnk h ALA 220 Cb 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3nnk h ALA 220 CO -0.00 -0.12 -1.98 -0.89 0.00 0.00 0.00 179.25 176.26 3nnk n ILE 221 N -3.79 1.68 0.11 0.00 5.41 -0.94 -4.13 119.36 117.70 3nnk n ILE 221 Ca -0.01 -0.70 0.08 0.00 1.00 0.00 0.00 62.75 63.11 3nnk n ILE 221 Cb 0.18 -1.42 0.55 0.00 -0.71 0.00 0.00 39.64 38.24 3nnk n ILE 221 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3nnk h ARG 222 N 0.04 0.23 0.00 0.38 -0.00 0.12 -0.90 114.38 114.25 3nnk h ARG 222 Ca -0.40 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.06 3nnk h ARG 222 Cb 2.03 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.95 3nnk h ARG 222 CO 0.07 0.15 0.00 0.00 0.00 0.00 0.00 179.97 180.19 3nnk h ARG 223 N 0.24 0.00 -0.01 0.04 3.08 -1.41 -2.71 114.38 113.61 3nnk h ARG 223 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3nnk h ARG 223 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3nnk h ARG 223 CO -0.02 0.00 -0.25 0.54 -1.07 0.00 0.00 179.97 179.17 3nnk n ARG 224 N -2.82 0.89 -1.60 0.04 5.12 -0.35 -1.19 116.66 116.74 3nnk n ARG 224 Ca 0.01 -0.52 -0.60 0.00 -1.93 0.00 0.00 57.85 54.80 3nnk n ARG 224 Cb 0.26 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 29.99 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 -0.60 0.28 -3.23 5.56 4.81 -1.02 -4.15 118.16 119.82 3nnk n LYS 225 Ca 0.12 0.10 -0.03 0.00 -0.87 0.00 0.00 58.31 57.64 3nnk n LYS 225 Cb 0.35 -1.64 -0.03 0.00 0.02 0.00 0.00 35.03 33.73 3nnk n LYS 225 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3nnk s VAL 227 N 2.60 4.50 0.16 0.00 1.01 -1.26 -4.97 120.40 122.43 3nnk s VAL 227 Ca 0.10 1.81 -0.34 0.00 0.00 0.00 0.00 61.98 63.56 3nnk s VAL 227 Cb -0.11 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 31.96 3nnk s VAL 227 CO -0.26 0.15 1.45 1.21 0.00 0.00 0.00 175.10 177.65 3nnk n GLU 228 N 3.81 1.77 -0.36 2.72 0.00 -1.26 -4.65 120.64 122.67 3nnk n GLU 228 Ca 0.07 0.64 0.27 0.00 0.00 0.00 0.00 57.16 58.14 3nnk n GLU 228 Cb 0.49 -2.33 0.54 0.00 0.00 0.00 0.00 31.44 30.14 3nnk n GLU 228 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3nnk h GLU 229 N 5.03 0.27 0.00 5.31 4.81 -1.93 -0.42 114.58 127.64 3nnk h GLU 229 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3nnk h GLU 229 Cb 1.29 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3nnk h GLU 229 CO 0.82 0.18 0.00 0.78 -0.73 0.00 0.00 179.01 180.06 3nnk h GLY 230 N 0.28 0.00 0.00 1.92 0.00 -2.02 -3.15 103.07 100.10 3nnk h GLY 230 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.05 3nnk h GLY 230 CO -0.46 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.37 3nnk n ILE 231 N -2.41 0.22 -2.42 2.60 -5.35 -0.38 -5.03 119.36 106.58 3nnk n ILE 231 Ca 0.03 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.62 3nnk n ILE 231 Cb 0.33 1.09 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 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 -0.22 4.35 0.40 6.28 3.52 -0.31 -4.96 118.95 128.02 3nnk s ARG 232 Ca 0.00 1.73 0.08 0.00 -0.13 0.00 0.00 55.73 57.41 3nnk s ARG 232 Cb 0.00 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 3nnk s ARG 232 CO 0.00 -0.46 0.38 0.95 -0.81 0.00 0.00 175.30 175.36 3nnk s THR 233 N 2.17 2.87 0.54 4.11 -4.23 -1.26 -4.98 115.64 114.85 3nnk s THR 233 Ca 0.57 -1.32 0.33 0.00 -1.18 0.00 0.00 61.69 60.09 3nnk s THR 233 Cb -0.26 -3.04 0.33 0.00 1.34 0.00 0.00 72.50 70.87 3nnk s THR 233 CO 0.23 -0.04 2.00 0.44 -0.54 0.00 0.00 174.62 176.72 3nnk h ASP 234 N 1.04 0.00 1.27 3.99 3.32 -2.02 -1.89 116.42 122.13 3nnk h ASP 234 Ca -0.42 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 3nnk h ASP 234 Cb 1.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 3nnk h ASP 234 CO 0.57 0.00 -0.76 0.00 -1.72 0.00 0.00 179.24 177.32 3nnk h ALA 235 N 1.61 0.69 -2.55 3.45 0.00 -2.01 -3.46 119.26 116.99 3nnk h ALA 235 Ca 0.00 -0.45 -0.53 0.00 0.00 0.00 0.00 54.91 53.93 3nnk h ALA 235 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3nnk h ALA 235 CO 0.00 0.55 0.50 -1.01 0.00 0.00 0.00 179.25 179.29 3nnk s HIS 236 N -3.03 3.53 -0.04 0.00 3.76 -0.71 -5.04 115.29 113.75 3nnk s HIS 236 Ca 0.02 1.47 0.03 0.00 -0.15 0.00 0.00 55.06 56.43 3nnk s HIS 236 Cb 0.08 -3.32 0.01 0.00 1.11 0.00 0.00 32.58 30.45 3nnk s HIS 236 CO 0.76 -0.84 -0.10 -0.98 -0.85 0.00 0.00 174.74 172.73 3nnk s ARG 237 N 0.45 1.22 0.90 1.40 1.70 -1.26 -4.89 118.95 118.47 3nnk s ARG 237 Ca 0.54 -0.35 -0.10 0.00 -0.47 0.00 0.00 55.73 55.35 3nnk s ARG 237 Cb -0.28 -1.09 0.14 0.00 -0.57 0.00 0.00 34.95 33.14 3nnk s ARG 237 CO 0.31 0.09 1.14 -0.51 -1.08 0.00 0.00 175.30 175.25 3nnk s ASP 238 N 0.36 3.05 0.53 -2.89 1.01 -1.26 -4.89 116.67 112.58 3nnk s ASP 238 Ca -0.07 2.12 0.00 0.00 0.71 0.00 0.00 52.55 55.31 3nnk s ASP 238 Cb -0.11 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.27 3nnk s ASP 238 CO 0.01 -3.01 0.00 0.61 0.21 0.00 0.00 175.17 172.99 3nnk n GLY 239 N 0.04 -1.66 0.00 0.21 0.00 -0.01 -4.93 105.19 98.85 3nnk n GLY 239 Ca 0.11 -1.53 0.06 0.00 0.00 0.00 0.00 46.02 44.66 3nnk n GLY 239 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3nnk n ASP 240 N -1.58 0.80 -4.93 1.61 5.75 -0.70 -4.90 116.55 112.60 3nnk n ASP 240 Ca 0.00 -0.69 -0.25 0.00 -0.01 0.00 0.00 54.79 53.85 3nnk n ASP 240 Cb 0.00 1.09 -0.03 0.00 -1.03 0.00 0.00 41.12 41.14 3nnk n ASP 240 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3nnk s GLU 241 N -2.31 3.35 0.85 0.11 2.02 -0.33 -5.06 118.70 117.33 3nnk s GLU 241 Ca 0.03 -0.70 -0.14 0.00 0.02 0.00 0.00 54.97 54.19 3nnk s GLU 241 Cb 0.09 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.45 3nnk s GLU 241 CO 0.53 0.49 0.54 -0.85 0.02 0.00 0.00 175.26 175.98 3nnk n GLU 242 N -0.78 -0.02 -0.79 1.61 0.28 -1.26 -4.43 120.64 115.25 3nnk n GLU 242 Ca -0.08 0.05 -0.31 0.00 -0.16 0.00 0.00 57.16 56.66 3nnk n GLU 242 Cb 0.55 -1.91 0.15 0.00 1.43 0.00 0.00 31.44 31.66 3nnk n GLU 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3nnk s MET 243 N -3.36 1.23 0.06 3.44 0.23 -1.26 -4.62 119.30 115.02 3nnk s MET 243 Ca 0.62 1.49 -0.30 0.00 -1.03 0.00 0.00 55.69 56.46 3nnk s MET 243 Cb -0.27 -1.76 -0.05 0.00 -1.53 0.00 0.00 34.83 31.23 3nnk s MET 243 CO 0.62 -2.46 1.03 0.42 -2.03 0.00 0.00 175.02 172.60 3nnk s ILE 244 N -2.70 4.52 -1.49 3.16 1.01 -1.26 -4.95 121.20 119.49 3nnk s ILE 244 Ca 0.66 1.90 -0.10 0.00 0.00 0.00 0.00 60.65 63.11 3nnk s ILE 244 Cb -0.22 -4.22 0.01 0.00 0.01 0.00 0.00 42.46 38.05 3nnk s ILE 244 CO 0.58 0.20 2.56 -1.22 0.00 0.00 0.00 174.94 177.05 3nnk n TYR 245 N 3.50 2.79 0.00 3.97 4.01 -1.26 -4.68 117.16 125.49 3nnk n TYR 245 Ca 0.05 -2.99 0.00 0.00 -0.16 0.00 0.00 57.90 54.81 3nnk n TYR 245 Cb 0.49 -2.34 0.00 0.00 -0.31 0.00 0.00 39.34 37.18 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk n SER 246 N 3.92 0.00 -0.10 7.72 2.88 -1.26 -5.06 113.62 121.72 3nnk n SER 246 Ca 0.65 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.97 3nnk n SER 246 Cb 0.29 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.63 3nnk n SER 246 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3nnk h ASN 247 N 0.00 0.03 -0.51 -3.46 -1.24 -1.98 -3.33 115.58 105.09 3nnk h ASN 247 Ca 0.00 -0.53 -0.05 0.00 0.71 0.00 0.00 56.30 56.43 3nnk h ASN 247 Cb 0.00 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 3nnk h ASN 247 CO 0.00 1.52 0.16 0.22 -1.29 0.00 0.00 177.43 178.04 3nnk h TYR 248 N -0.93 0.86 -0.68 0.67 3.20 -1.97 -2.71 116.97 115.41 3nnk h TYR 248 Ca -0.36 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3nnk h TYR 248 Cb 1.36 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3nnk h TYR 248 CO 0.09 0.71 0.00 1.19 -1.64 0.00 0.00 178.16 178.51 3nnk n PHE 249 N -4.29 1.43 -2.06 -3.82 3.72 -1.26 -4.86 117.46 106.32 3nnk n PHE 249 Ca 0.04 -0.59 -0.37 0.00 -0.05 0.00 0.00 57.45 56.48 3nnk n PHE 249 Cb 0.21 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3nnk n PHE 249 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3nnk s ASP 250 N -0.92 5.29 0.35 4.37 -1.08 -1.03 -4.58 116.67 119.08 3nnk s ASP 250 Ca 0.52 0.17 0.27 0.00 -0.52 0.00 0.00 52.55 52.98 3nnk s ASP 250 Cb 0.32 -2.53 1.11 0.00 -1.46 0.00 0.00 42.92 40.35 3nnk s ASP 250 CO 0.27 -2.40 1.80 -0.07 0.52 0.00 0.00 175.17 175.28 3nnk h LEU 251 N 16.48 0.00 -0.13 -1.34 3.38 -1.89 -1.86 115.31 129.95 3nnk h LEU 251 Ca -0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3nnk h LEU 251 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3nnk h LEU 251 CO 1.22 0.00 0.02 1.23 0.09 0.00 0.00 178.44 181.00 3nnk h GLY 252 N 2.20 0.24 1.74 0.83 0.00 -1.87 -0.08 103.07 106.13 3nnk h GLY 252 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 3nnk h GLY 252 CO 0.00 0.15 -0.55 -0.33 0.00 0.00 0.00 176.54 175.81 3nnk h MET 253 N -0.01 0.27 -0.26 4.80 2.86 -1.83 -2.10 114.93 118.68 3nnk h MET 253 Ca 0.04 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 3nnk h MET 253 Cb 0.30 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3nnk h MET 253 CO 0.00 0.75 0.06 0.28 1.06 0.00 0.00 176.91 179.07 3nnk h VAL 254 N 0.21 1.21 -0.99 -2.22 2.07 -1.33 -1.35 116.25 113.86 3nnk h VAL 254 Ca 0.00 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 66.93 3nnk h VAL 254 Cb 1.03 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 3nnk h VAL 254 CO 0.09 0.23 0.63 0.24 0.02 0.00 0.00 177.57 178.77 3nnk h MET 255 N 0.24 0.98 0.00 1.57 2.86 -0.90 -1.39 114.93 118.29 3nnk h MET 255 Ca 0.08 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3nnk h MET 255 Cb 0.28 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3nnk h MET 255 CO 0.00 0.65 -0.33 -0.44 1.06 0.00 0.00 176.91 177.86 3nnk h ASP 256 N 1.01 0.00 -0.12 1.22 3.32 -1.04 -0.14 116.42 120.68 3nnk h ASP 256 Ca 0.48 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.32 3nnk h ASP 256 Cb 0.42 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.98 3nnk h ASP 256 CO -0.24 0.33 -0.72 0.22 -1.72 0.00 0.00 179.24 177.11 3nnk h TYR 257 N 0.00 0.95 0.00 4.55 3.20 -0.21 -1.60 116.97 123.87 3nnk h TYR 257 Ca -0.00 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3nnk h TYR 257 Cb 0.76 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3nnk h TYR 257 CO 0.00 1.25 -0.11 -1.49 -1.64 0.00 0.00 178.16 176.18 3nnk h TRP 258 N 0.38 0.00 -4.43 -3.82 4.06 -1.22 -3.39 115.95 107.53 3nnk h TRP 258 Ca -0.06 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.46 3nnk h TRP 258 Cb 1.36 0.00 0.14 0.00 -1.00 0.00 0.00 29.16 29.66 3nnk h TRP 258 CO 0.10 0.00 0.31 0.41 -3.56 0.00 0.00 178.44 175.70 3nnk n GLY 259 N 1.28 -0.74 0.32 1.49 0.00 -0.08 -4.95 105.19 102.52 3nnk n GLY 259 Ca 0.05 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.13 1.61 0.13 -1.88 -2.46 132.00 129.26 3nnk h PRO 260 Ca -0.39 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.63 3nnk h PRO 260 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3nnk h PRO 260 CO 0.32 0.00 -0.40 0.93 -0.23 0.00 0.00 178.00 178.62 3nnk h GLU 261 N 0.00 0.29 -6.12 0.86 3.07 -1.93 -3.47 114.58 107.28 3nnk h GLU 261 Ca 0.03 -0.14 -0.45 0.00 -0.50 0.00 0.00 59.36 58.31 3nnk h GLU 261 Cb 0.21 -0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.15 3nnk h GLU 261 CO -0.00 0.65 -0.73 0.54 -1.40 0.00 0.00 179.01 178.07 3nnk n ARG 262 N -4.03 -6.51 -1.68 2.33 5.12 -0.85 -4.90 116.66 106.14 3nnk n ARG 262 Ca -0.01 0.69 -0.48 0.00 -1.93 0.00 0.00 57.85 56.11 3nnk n ARG 262 Cb 0.48 -5.65 -0.05 0.00 -1.16 0.00 0.00 32.46 26.08 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 -4.81 3.25 -4.03 0.55 -0.00 -0.66 -4.84 117.00 106.46 3nnk n LEU 263 Ca 0.03 1.01 -0.40 0.00 -0.00 0.00 0.00 56.01 56.65 3nnk n LEU 263 Cb 0.54 -1.37 -0.03 0.00 -0.00 0.00 0.00 43.42 42.56 3nnk n LEU 263 CO 0.71 -0.16 2.11 -3.20 -0.00 0.00 0.00 177.39 176.85 3nnk n ASN 264 N 5.63 3.44 0.08 1.96 2.85 -1.26 -3.92 115.26 124.05 3nnk n ASN 264 Ca 0.21 -2.77 -0.06 0.00 -0.11 0.00 0.00 54.58 51.85 3nnk n ASN 264 Cb 0.28 -1.51 -0.04 0.00 1.24 0.00 0.00 39.78 39.76 3nnk n ASN 264 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3nnk h HIS 265 N 7.73 -0.28 -3.97 1.20 -0.00 -1.88 -3.48 115.15 114.45 3nnk h HIS 265 Ca 0.42 -0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.67 3nnk h HIS 265 Cb 0.76 0.09 -0.11 0.00 -0.00 0.00 0.00 27.41 28.15 3nnk h HIS 265 CO 1.33 -0.08 -0.30 -3.38 -0.00 0.00 0.00 177.93 175.49 3nnk s HIS 266 N -2.75 0.62 -0.51 5.26 0.00 -1.26 -5.07 115.29 111.57 3nnk s HIS 266 Ca -0.07 -0.94 -0.25 0.00 -3.00 0.00 0.00 55.06 50.81 3nnk s HIS 266 Cb 0.00 -0.07 0.03 0.00 -4.00 0.00 0.00 32.58 28.54 3nnk s HIS 266 CO 0.22 -0.85 0.95 0.99 -1.00 0.00 0.00 174.74 175.05 3nnk s THR 267 N -4.06 4.40 0.21 -5.38 2.01 -1.26 -5.01 115.64 106.56 3nnk s THR 267 Ca 0.27 0.56 -0.32 0.00 0.31 0.00 0.00 61.69 62.51 3nnk s THR 267 Cb 0.02 -4.50 -0.14 0.00 0.01 0.00 0.00 72.50 67.89 3nnk s THR 267 CO 0.09 -0.99 1.45 1.21 -0.69 0.00 0.00 174.62 175.69 3nnk n GLU 268 N 7.39 2.02 -1.86 4.92 4.07 -1.26 -4.84 120.64 131.08 3nnk n GLU 268 Ca 0.04 0.72 -0.38 0.00 -0.06 0.00 0.00 57.16 57.49 3nnk n GLU 268 Cb 0.48 -2.41 -0.03 0.00 -0.06 0.00 0.00 31.44 29.42 3nnk n GLU 268 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3nnk s ALA 269 N 0.23 2.05 0.09 4.31 0.00 -1.26 -4.87 121.76 122.31 3nnk s ALA 269 Ca 0.72 -0.32 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 3nnk s ALA 269 Cb -0.67 -4.29 -0.13 0.00 0.00 0.00 0.00 23.12 18.03 3nnk s ALA 269 CO 0.46 -3.97 1.68 1.15 0.00 0.00 0.00 175.76 175.08 3nnk h THR 270 N 7.16 0.64 -0.21 0.00 2.02 -1.97 -1.19 112.91 119.37 3nnk h THR 270 Ca -0.26 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3nnk h THR 270 Cb 1.20 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3nnk h THR 270 CO 1.18 0.00 0.02 0.74 0.37 0.00 0.00 175.52 177.83 3nnk h THR 271 N -0.38 1.24 -0.96 3.16 2.02 -1.92 -0.97 112.91 115.10 3nnk h THR 271 Ca -0.01 -0.81 0.10 0.00 0.77 0.00 0.00 66.41 66.46 3nnk h THR 271 Cb 0.34 1.36 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 3nnk h THR 271 CO -0.01 0.25 0.62 0.00 0.37 0.00 0.00 175.52 176.74 3nnk h ALA 272 N 0.82 1.54 -0.30 6.16 0.00 -1.95 -0.02 119.26 125.50 3nnk h ALA 272 Ca 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3nnk h ALA 272 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3nnk h ALA 272 CO 0.01 0.26 -0.20 1.25 0.00 0.00 0.00 179.25 180.57 3nnk h LEU 273 N 1.00 0.55 -0.79 0.00 6.46 -0.79 0.20 115.31 121.93 3nnk h LEU 273 Ca 0.45 -0.17 -0.10 0.00 -0.12 0.00 0.00 57.88 57.93 3nnk h LEU 273 Cb 0.38 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 3nnk h LEU 273 CO -0.21 0.76 -0.18 -0.26 -0.62 0.00 0.00 178.44 177.93 3nnk h PHE 274 N 0.50 0.80 -0.08 1.25 0.04 -0.02 -1.12 116.94 118.31 3nnk h PHE 274 Ca 0.08 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 3nnk h PHE 274 Cb 0.62 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 3nnk h PHE 274 CO 0.02 0.84 -0.01 0.78 -0.60 0.00 0.00 178.31 179.35 3nnk h GLY 275 N 0.98 0.16 1.40 -1.45 0.00 -0.62 -2.91 103.07 100.62 3nnk h GLY 275 Ca 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3nnk h GLY 275 CO 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 176.54 176.66 3nnk h ALA 276 N 0.71 1.12 -0.76 3.60 0.00 -0.57 -1.12 119.26 122.24 3nnk h ALA 276 Ca 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3nnk h ALA 276 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3nnk h ALA 276 CO 0.01 0.56 0.46 -0.09 0.00 0.00 0.00 179.25 180.18 3nnk h ARG 277 N 0.68 1.04 0.30 0.00 2.43 -1.27 -2.88 114.38 114.68 3nnk h ARG 277 Ca 0.13 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3nnk h ARG 277 Cb 0.47 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3nnk h ARG 277 CO 0.02 0.73 -0.14 0.93 -1.51 0.00 0.00 179.97 180.00 3nnk h GLU 278 N 1.04 -0.39 -0.84 0.20 4.39 -1.21 -0.86 114.58 116.92 3nnk h GLU 278 Ca 0.27 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.16 3nnk h GLU 278 Cb -0.03 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 28.55 3nnk h GLU 278 CO -0.05 -0.06 -0.25 0.00 -1.16 0.00 0.00 179.01 177.49 3nnk h ALA 280 N 1.67 0.99 -0.51 0.00 0.00 -1.50 -2.34 119.26 117.57 3nnk h ALA 280 Ca 0.38 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3nnk h ALA 280 Cb 0.61 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3nnk h ALA 280 CO -0.87 0.61 -0.05 -0.09 0.00 0.00 0.00 179.25 178.85 3nnk h ARG 281 N 0.38 0.94 -0.35 0.00 2.43 0.56 -2.50 114.38 115.84 3nnk h ARG 281 Ca 0.04 -0.33 -0.12 0.00 -0.81 0.00 0.00 59.98 58.76 3nnk h ARG 281 Cb 0.82 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3nnk h ARG 281 CO 0.07 0.98 -0.26 -0.07 -1.51 0.00 0.00 179.97 179.18 3nnk h LEU 282 N 0.80 0.84 -0.52 3.80 3.38 -0.90 0.21 115.31 122.92 3nnk h LEU 282 Ca 0.14 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.72 3nnk h LEU 282 Cb 0.60 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3nnk h LEU 282 CO 0.04 1.10 0.24 0.40 0.09 0.00 0.00 178.44 180.30 3nnk h ILE 283 N 0.58 0.91 0.00 1.22 2.04 -1.40 -0.54 117.51 120.31 3nnk h ILE 283 Ca 0.07 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 3nnk h ILE 283 Cb 0.83 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3nnk h ILE 283 CO 0.07 0.08 -0.42 -0.07 0.00 0.00 0.00 178.15 177.81 3nnk h LEU 284 N 0.46 0.00 -0.30 1.44 3.38 -1.37 0.39 115.31 119.30 3nnk h LEU 284 Ca 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 3nnk h LEU 284 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3nnk h LEU 284 CO -0.19 0.42 -0.20 1.56 0.09 0.00 0.00 178.44 180.12 3nnk h GLN 285 N 0.00 0.68 -0.53 1.13 4.20 -0.51 -3.01 115.11 117.06 3nnk h GLN 285 Ca -0.00 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.30 3nnk h GLN 285 Cb 1.18 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 3nnk h GLN 285 CO 0.05 0.92 -0.00 1.49 -0.67 0.00 0.00 178.83 180.62 3nnk h GLU 286 N 0.43 0.94 0.00 1.46 4.81 -1.07 -3.50 114.58 117.65 3nnk h GLU 286 Ca 0.06 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3nnk h GLU 286 Cb 0.75 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.04 3nnk h GLU 286 CO 0.06 0.96 0.00 0.41 -0.73 0.00 0.00 179.01 179.70 3nnk n GLY 287 N -0.39 2.29 0.11 1.92 0.00 0.12 -4.75 105.19 104.49 3nnk n GLY 287 Ca 0.02 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 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 0.25 -0.61 0.99 5.85 -1.85 -1.31 115.31 118.64 3nnk h LEU 288 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3nnk h LEU 288 Cb 0.00 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3nnk h LEU 288 CO 0.00 0.23 0.35 0.44 -0.34 0.00 0.00 178.44 179.11 3nnk h ASP 289 N 0.26 0.75 -0.78 1.25 3.45 -1.93 -2.03 116.42 117.40 3nnk h ASP 289 Ca 0.08 -0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.49 3nnk h ASP 289 Cb 0.02 -0.19 -0.05 0.00 -0.56 0.00 0.00 39.33 38.55 3nnk h ASP 289 CO -0.01 0.62 0.49 1.88 -1.57 0.00 0.00 179.24 180.64 3nnk h TYR 290 N 0.83 0.91 -0.43 4.55 0.05 -1.81 -0.13 116.97 120.94 3nnk h TYR 290 Ca 0.22 0.02 0.04 0.00 0.05 0.00 0.00 58.73 59.06 3nnk h TYR 290 Cb 0.02 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.42 3nnk h TYR 290 CO -0.01 0.51 0.19 0.78 -1.05 0.00 0.00 178.16 178.58 3nnk h GLY 291 N 0.94 0.58 1.10 3.88 0.00 -0.67 0.06 103.07 108.96 3nnk h GLY 291 Ca 0.32 -0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.36 3nnk h GLY 291 CO -0.12 0.08 -0.43 -2.22 0.00 0.00 0.00 176.54 173.84 3nnk h ILE 292 N 0.39 1.28 -0.93 2.60 2.04 -1.12 -2.95 117.51 118.83 3nnk h ILE 292 Ca 0.19 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.45 3nnk h ILE 292 Cb 0.12 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3nnk h ILE 292 CO -0.15 0.53 0.62 0.00 0.00 0.00 0.00 178.15 179.14 3nnk h ALA 293 N 0.71 1.33 -0.43 1.87 0.00 -0.80 -2.04 119.26 119.90 3nnk h ALA 293 Ca 0.04 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3nnk h ALA 293 Cb 1.03 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3nnk h ALA 293 CO 0.10 0.62 0.26 -0.09 0.00 0.00 0.00 179.25 180.14 3nnk h ARG 294 N 1.27 0.51 -0.35 0.00 2.43 -0.93 -1.30 114.38 116.01 3nnk h ARG 294 Ca 0.34 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3nnk h ARG 294 Cb -0.14 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 3nnk h ARG 294 CO -0.07 0.34 0.19 0.45 -1.51 0.00 0.00 179.97 179.37 3nnk h HIS 295 N 0.53 0.48 -0.80 2.20 3.86 -1.27 -1.94 115.15 118.20 3nnk h HIS 295 Ca 0.17 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3nnk h HIS 295 Cb -0.00 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 3nnk h HIS 295 CO -0.07 0.38 0.46 -0.22 0.86 0.00 0.00 177.93 179.34 3nnk h LYS 296 N 0.44 1.10 -0.52 2.45 3.64 -1.27 0.33 116.57 122.74 3nnk h LYS 296 Ca 0.12 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3nnk h LYS 296 Cb 0.06 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3nnk h LYS 296 CO -0.02 0.80 0.33 1.25 -2.27 0.00 0.00 179.45 179.54 3nnk h LEU 297 N 1.10 0.56 0.00 5.20 5.85 -0.96 0.18 115.31 127.24 3nnk h LEU 297 Ca 0.28 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 3nnk h LEU 297 Cb -0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3nnk h LEU 297 CO -0.05 0.40 -1.00 0.45 -0.34 0.00 0.00 178.44 177.90 3nnk h HIS 298 N 0.67 0.00 -0.29 1.25 3.86 -1.14 -2.50 115.15 117.00 3nnk h HIS 298 Ca 0.20 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.28 3nnk h HIS 298 Cb -0.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 3nnk h HIS 298 CO -0.05 0.42 -0.31 0.78 0.86 0.00 0.00 177.93 179.63 3nnk h GLY 299 N 3.72 0.78 1.40 2.45 0.00 -0.28 -2.83 103.07 108.31 3nnk h GLY 299 Ca -0.08 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.36 3nnk h GLY 299 CO 0.04 0.73 -0.06 -0.55 0.00 0.00 0.00 176.54 176.70 3nnk h ASP 300 N 0.46 0.70 0.05 0.19 5.19 -0.68 -2.30 116.42 120.04 3nnk h ASP 300 Ca 0.04 -0.19 -0.13 0.00 -0.62 0.00 0.00 57.03 56.14 3nnk h ASP 300 Cb 0.88 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 3nnk h ASP 300 CO 0.08 0.81 -0.43 0.00 -3.12 0.00 0.00 179.24 176.58 3nnk h ALA 301 N 1.26 0.91 -0.16 3.45 0.00 -1.49 -2.79 119.26 120.43 3nnk h ALA 301 Ca 0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3nnk h ALA 301 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3nnk h ALA 301 CO 0.03 0.64 -0.07 1.25 0.00 0.00 0.00 179.25 181.09 3nnk h LEU 302 N 0.38 0.34 -1.46 0.00 5.85 -1.28 -2.29 115.31 116.83 3nnk h LEU 302 Ca 0.03 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3nnk h LEU 302 Cb 0.90 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3nnk h LEU 302 CO 0.08 0.67 -0.00 1.62 -0.34 0.00 0.00 178.44 180.47 3nnk h VAL 303 N -0.00 1.15 -0.35 1.05 3.04 -1.44 -1.42 116.25 118.29 3nnk h VAL 303 Ca 0.03 -0.58 -0.15 0.00 -1.01 0.00 0.00 66.70 64.99 3nnk h VAL 303 Cb 0.55 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 3nnk h VAL 303 CO 0.02 0.19 -0.39 0.11 -1.01 0.00 0.00 177.57 176.50 3nnk h LYS 304 N 0.34 0.87 -0.40 4.17 1.57 -1.47 -2.47 116.57 119.18 3nnk h LYS 304 Ca 0.08 -0.48 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 3nnk h LYS 304 Cb 0.23 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3nnk h LYS 304 CO 0.01 1.12 -0.11 0.78 -0.57 0.00 0.00 179.45 180.67 3nnk h GLY 305 N 0.67 0.77 0.95 3.86 0.00 -0.91 -2.48 103.07 105.93 3nnk h GLY 305 Ca 0.05 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 3nnk h GLY 305 CO 0.09 0.53 -0.26 -2.22 0.00 0.00 0.00 176.54 174.68 3nnk h ILE 306 N 0.65 1.30 -0.46 2.60 1.08 -1.29 -2.74 117.51 118.66 3nnk h ILE 306 Ca 0.11 -1.42 -0.02 0.00 -0.39 0.00 0.00 64.86 63.15 3nnk h ILE 306 Cb 0.57 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 3nnk h ILE 306 CO 0.04 0.45 0.21 1.56 -0.69 0.00 0.00 178.15 179.71 3nnk h GLN 307 N 0.42 0.67 0.00 2.37 4.20 -1.37 -2.60 115.11 118.80 3nnk h GLN 307 Ca 0.05 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3nnk h GLN 307 Cb 0.82 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 3nnk h GLN 307 CO 0.07 0.58 -0.10 0.00 -0.67 0.00 0.00 178.83 178.70 3nnk h ALA 308 N 1.05 1.06 0.00 3.87 0.00 -1.50 -1.48 119.26 122.27 3nnk h ALA 308 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 308 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3nnk h ALA 308 CO -0.02 0.13 0.00 -0.12 0.00 0.00 0.00 179.25 179.24 3nnk n MET 309 N -3.30 0.40 -2.58 0.00 0.00 -1.00 -4.14 117.12 106.51 3nnk n MET 309 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 57.70 57.73 3nnk n MET 309 Cb 0.32 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.06 3nnk n MET 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3nnk n GLY 310 N 0.33 0.68 3.30 -5.12 0.00 -0.56 -4.74 105.19 99.08 3nnk n GLY 310 Ca 0.11 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 2.07 0.09 0.99 1.43 -1.08 -5.06 118.68 115.13 3nnk s LEU 311 Ca 0.07 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.47 3nnk s LEU 311 Cb -0.03 -1.27 -0.07 0.00 0.03 0.00 0.00 46.19 44.85 3nnk s LEU 311 CO 0.10 0.29 0.65 -1.83 0.23 0.00 0.00 176.35 175.80 3nnk s GLU 312 N -0.71 4.36 0.41 1.70 4.04 -1.26 -4.33 118.70 122.90 3nnk s GLU 312 Ca 0.10 0.90 0.04 0.00 0.04 0.00 0.00 54.97 56.05 3nnk s GLU 312 Cb -0.10 -3.27 0.00 0.00 0.02 0.00 0.00 34.13 30.79 3nnk s GLU 312 CO -0.00 0.56 0.58 0.95 -1.84 0.00 0.00 175.26 175.50 3nnk s THR 313 N -0.92 3.73 -0.09 1.83 -4.23 -1.26 -1.72 115.64 112.97 3nnk s THR 313 Ca 0.32 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 60.02 3nnk s THR 313 Cb -0.21 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 3nnk s THR 313 CO 0.21 -0.16 -0.09 0.12 -0.54 0.00 0.00 174.62 174.16 3nnk s PHE 314 N -2.38 2.88 0.00 3.99 5.36 0.00 -4.78 117.98 123.05 3nnk s PHE 314 Ca 0.49 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 3nnk s PHE 314 Cb -0.10 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 3nnk s PHE 314 CO 0.34 0.14 0.00 0.41 -1.46 0.00 0.00 175.22 174.65 3nnk n GLY 315 N 2.70 0.02 3.57 13.12 0.00 -1.26 -4.52 105.19 118.82 3nnk n GLY 315 Ca -0.18 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 3nnk n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nnk s ASP 316 N -1.49 6.16 0.58 1.61 2.15 -1.17 -4.89 116.67 119.63 3nnk s ASP 316 Ca 0.00 -0.00 0.36 0.00 0.43 0.00 0.00 52.55 53.34 3nnk s ASP 316 Cb 0.00 -2.55 1.72 0.00 -0.30 0.00 0.00 42.92 41.78 3nnk s ASP 316 CO 0.00 -1.74 2.12 -0.07 -0.17 0.00 0.00 175.17 175.31 3nnk h LEU 317 N 13.01 0.00 -1.94 -1.34 3.38 -1.94 -1.51 115.31 124.98 3nnk h LEU 317 Ca -0.27 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.71 3nnk h LEU 317 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3nnk h LEU 317 CO 1.22 0.02 0.06 0.11 0.09 0.00 0.00 178.44 179.95 3nnk h LYS 318 N 0.00 0.08 -0.49 1.13 1.57 -2.02 -2.81 116.57 114.04 3nnk h LYS 318 Ca -0.00 -0.01 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 3nnk h LYS 318 Cb 0.33 -0.02 -0.28 0.00 0.08 0.00 0.00 32.23 32.34 3nnk h LYS 318 CO 0.00 0.06 -0.68 0.72 -0.57 0.00 0.00 179.45 178.98 3nnk n HIS 319 N -4.52 1.79 -2.40 -1.35 8.25 -0.58 -5.05 115.22 111.36 3nnk n HIS 319 Ca -0.01 -1.97 -0.41 0.00 -0.26 0.00 0.00 57.72 55.07 3nnk n HIS 319 Cb 0.11 -0.32 -0.04 0.00 1.12 0.00 0.00 29.99 30.86 3nnk n HIS 319 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3nnk s LYS 320 N -3.47 4.56 0.30 -0.41 2.20 -1.06 -0.67 119.74 121.18 3nnk s LYS 320 Ca 0.47 1.88 -0.29 0.00 -0.36 0.00 0.00 55.97 57.66 3nnk s LYS 320 Cb 0.40 -3.19 -0.11 0.00 -1.51 0.00 0.00 37.83 33.42 3nnk s LYS 320 CO 0.00 0.07 1.47 -1.64 -0.36 0.00 0.00 175.35 174.90 3nnk s MET 321 N -1.13 4.21 0.43 4.03 -1.94 -0.56 -4.69 119.30 119.64 3nnk s MET 321 Ca 0.47 2.42 0.11 0.00 -1.71 0.00 0.00 55.69 56.99 3nnk s MET 321 Cb -0.33 -3.05 0.98 0.00 2.01 0.00 0.00 34.83 34.43 3nnk s MET 321 CO 0.41 -0.47 2.01 -0.91 -0.01 0.00 0.00 175.02 176.06 3nnk h ASN 322 N 4.33 0.39 -0.30 3.03 2.35 -1.91 -3.14 115.58 120.34 3nnk h ASN 322 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3nnk h ASN 322 Cb 1.22 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3nnk h ASN 322 CO 0.74 0.26 0.00 -0.46 -1.65 0.00 0.00 177.43 176.31 3nnk n ASN 323 N -4.47 2.82 -4.04 5.81 6.94 -1.26 -3.93 115.26 117.13 3nnk n ASN 323 Ca 0.07 -1.86 -0.08 0.00 -0.02 0.00 0.00 54.58 52.68 3nnk n ASN 323 Cb 0.25 -0.19 -0.11 0.00 -2.36 0.00 0.00 39.78 37.37 3nnk n ASN 323 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3nnk s VAL 324 N -1.05 0.20 -0.14 3.53 1.01 -1.19 -0.27 120.40 122.50 3nnk s VAL 324 Ca 0.24 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3nnk s VAL 324 Cb 0.14 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.71 3nnk s VAL 324 CO 0.19 -0.71 0.35 -0.22 0.00 0.00 0.00 175.10 174.71 3nnk s LEU 325 N -2.13 0.42 -0.31 3.92 0.20 -0.86 -4.41 118.68 115.51 3nnk s LEU 325 Ca -0.05 0.73 -0.14 0.00 0.69 0.00 0.00 54.13 55.37 3nnk s LEU 325 Cb -0.02 1.19 -0.03 0.00 -0.43 0.00 0.00 46.19 46.90 3nnk s LEU 325 CO -0.05 -0.15 0.31 -0.83 -0.29 0.00 0.00 176.35 175.34 3nnk s GLY 326 N 0.65 1.91 -0.22 7.98 0.00 -1.26 -1.45 107.32 114.92 3nnk s GLY 326 Ca -0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 44.72 43.56 3nnk s GLY 326 CO -0.04 0.88 -0.06 0.14 0.00 0.00 0.00 173.10 174.01 3nnk s VAL 327 N 1.93 3.11 0.04 1.40 1.01 0.01 -0.82 120.40 127.09 3nnk s VAL 327 Ca 0.11 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3nnk s VAL 327 Cb -0.16 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 3nnk s VAL 327 CO 0.11 0.38 1.28 -0.69 0.00 0.00 0.00 175.10 176.19 3nnk s VAL 328 N 1.42 3.84 -0.19 2.92 1.01 -0.70 0.33 120.40 129.04 3nnk s VAL 328 Ca 0.05 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 63.02 3nnk s VAL 328 Cb -0.15 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3nnk s VAL 328 CO -0.05 0.06 1.55 -0.63 0.00 0.00 0.00 175.10 176.03 3nnk s ILE 329 N 1.55 3.79 0.80 2.22 1.01 -0.17 -4.62 121.20 125.78 3nnk s ILE 329 Ca 0.61 0.91 -0.12 0.00 0.00 0.00 0.00 60.65 62.05 3nnk s ILE 329 Cb -0.31 -3.74 0.08 0.00 0.01 0.00 0.00 42.46 38.50 3nnk s ILE 329 CO 0.28 -0.24 1.14 -2.16 0.00 0.00 0.00 174.94 173.95 3nnk s PRO 330 N 4.35 1.85 0.14 2.79 0.04 -1.26 -4.92 135.00 138.00 3nnk s PRO 330 Ca 0.68 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 3nnk s PRO 330 Cb -0.25 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 3nnk s PRO 330 CO 0.27 -2.00 0.61 1.14 0.04 0.00 0.00 177.00 177.06 3nnk s GLN 331 N -4.47 4.16 -0.79 4.56 0.00 -1.26 -2.07 119.66 119.78 3nnk s GLN 331 Ca 0.67 0.71 0.03 0.00 -0.00 0.00 0.00 55.36 56.77 3nnk s GLN 331 Cb -0.22 -3.04 0.26 0.00 0.00 0.00 0.00 33.01 30.00 3nnk s GLN 331 CO 0.52 0.52 0.93 0.41 0.00 0.00 0.00 175.29 177.67 3nnk n GLY 332 N 1.14 4.80 3.73 2.60 0.00 -1.26 -5.08 105.19 111.12 3nnk n GLY 332 Ca -0.06 -2.72 -0.35 0.00 0.00 0.00 0.00 46.02 42.88 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nnk s ILE 333 N -2.40 5.40 -0.47 -0.61 -1.09 -0.88 -5.05 121.20 116.09 3nnk s ILE 333 Ca 0.36 0.21 -0.29 0.00 -2.23 0.00 0.00 60.65 58.70 3nnk s ILE 333 Cb 0.09 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.51 3nnk s ILE 333 CO -0.00 0.44 1.31 0.21 -1.23 0.00 0.00 174.94 175.66 3nnk s ASN 334 N 0.38 6.40 0.41 3.58 3.84 -1.26 -4.80 114.94 123.48 3nnk s ASN 334 Ca 0.09 0.56 0.17 0.00 0.21 0.00 0.00 52.86 53.88 3nnk s ASN 334 Cb -0.11 -2.55 1.06 0.00 -0.55 0.00 0.00 41.25 39.10 3nnk s ASN 334 CO -0.02 -1.43 1.84 1.23 -2.79 0.00 0.00 177.10 175.93 3nnk h GLY 335 N 12.05 0.96 1.56 1.21 0.00 -1.94 0.01 103.07 116.92 3nnk h GLY 335 Ca -0.26 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 3nnk h GLY 335 CO 1.12 -0.02 -0.38 1.29 0.00 0.00 0.00 176.54 178.55 3nnk h ASP 336 N 0.44 0.52 -0.47 0.19 3.04 -1.97 -2.63 116.42 115.55 3nnk h ASP 336 Ca 0.49 -0.22 -0.11 0.00 -3.24 0.00 0.00 57.03 53.95 3nnk h ASP 336 Cb 1.18 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.31 3nnk h ASP 336 CO -0.20 0.85 -0.14 -0.61 -2.04 0.00 0.00 179.24 177.10 3nnk h GLN 337 N 0.41 0.92 -0.41 4.15 4.15 -1.41 -1.37 115.11 121.55 3nnk h GLN 337 Ca 0.04 -0.37 -0.05 0.00 0.77 0.00 0.00 58.65 59.04 3nnk h GLN 337 Cb 0.86 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 3nnk h GLN 337 CO 0.07 1.02 0.03 0.00 -1.93 0.00 0.00 178.83 178.03 3nnk h ALA 338 N 0.87 1.29 -0.27 3.38 0.00 -1.40 -0.96 119.26 122.17 3nnk h ALA 338 Ca 0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3nnk h ALA 338 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3nnk h ALA 338 CO 0.05 0.48 -0.09 0.00 0.00 0.00 0.00 179.25 179.70 3nnk h ARG 339 N 0.62 0.54 -0.65 0.00 3.08 -1.32 -2.20 114.38 114.45 3nnk h ARG 339 Ca 0.13 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.97 3nnk h ARG 339 Cb 0.34 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3nnk h ARG 339 CO 0.01 0.76 0.42 -0.22 -1.07 0.00 0.00 179.97 179.88 3nnk h LYS 340 N 0.28 0.84 -0.22 0.04 3.64 -0.94 -2.14 116.57 118.08 3nnk h LYS 340 Ca 0.07 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 3nnk h LYS 340 Cb 0.58 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3nnk h LYS 340 CO 0.03 0.55 -0.42 -0.07 -2.27 0.00 0.00 179.45 177.27 3nnk h LEU 341 N 0.86 0.57 -0.77 5.20 3.38 -1.20 -1.22 115.31 122.14 3nnk h LEU 341 Ca 0.24 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3nnk h LEU 341 Cb -0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3nnk h LEU 341 CO -0.06 0.92 -0.44 0.24 0.09 0.00 0.00 178.44 179.19 3nnk h MET 342 N 0.44 0.40 0.11 1.13 2.86 -1.18 -2.02 114.93 116.66 3nnk h MET 342 Ca 0.03 -0.21 -0.29 0.00 -2.06 0.00 0.00 59.70 57.18 3nnk h MET 342 Cb 0.92 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 3nnk h MET 342 CO 0.08 0.76 -1.50 1.25 1.06 0.00 0.00 176.91 178.57 3nnk h LEU 343 N 0.32 0.35 0.00 1.22 5.85 -1.13 0.12 115.31 122.04 3nnk h LEU 343 Ca 0.02 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.91 3nnk h LEU 343 Cb 0.91 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3nnk h LEU 343 CO 0.08 1.65 -0.39 -0.33 -0.34 0.00 0.00 178.44 179.10 3nnk h GLU 344 N -0.31 0.00 0.00 1.25 5.08 -1.34 -3.09 114.58 116.18 3nnk h GLU 344 Ca -0.33 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 3nnk h GLU 344 Cb 1.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.99 3nnk h GLU 344 CO 0.04 0.00 -1.43 -0.25 -1.00 0.00 0.00 179.01 176.37 3nnk n ASP 345 N -2.67 3.45 -0.14 1.42 8.00 -0.76 -4.75 116.55 121.09 3nnk n ASP 345 Ca 0.03 -0.02 0.05 0.00 0.71 0.00 0.00 54.79 55.55 3nnk n ASP 345 Cb 0.50 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.84 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 -2.48 0.00 -1.33 1.24 3.72 -1.07 -5.00 117.46 112.54 3nnk n PHE 346 Ca -0.12 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.17 3nnk n PHE 346 Cb 0.67 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.16 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 1.00 1.24 3.47 1.37 0.00 -0.68 -4.93 105.19 106.65 3nnk n GLY 347 Ca 0.03 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.39 3.50 -0.37 -0.61 1.01 0.34 -1.01 121.20 121.67 3nnk s ILE 348 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 3nnk s ILE 348 Cb 0.00 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.99 3nnk s ILE 348 CO 0.00 0.53 0.25 -0.70 0.00 0.00 0.00 174.94 175.02 3nnk s GLU 349 N 0.05 3.19 0.11 2.79 2.12 0.66 -2.61 118.70 125.00 3nnk s GLU 349 Ca -0.02 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.47 3nnk s GLU 349 Cb -0.14 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 3nnk s GLU 349 CO 0.03 -0.59 0.23 0.96 -0.54 0.00 0.00 175.26 175.36 3nnk s ILE 350 N 1.67 5.26 0.26 -3.70 -4.36 -1.26 0.08 121.20 119.16 3nnk s ILE 350 Ca 0.05 -0.59 -0.12 0.00 -0.26 0.00 0.00 60.65 59.74 3nnk s ILE 350 Cb -0.18 -3.64 -0.08 0.00 1.25 0.00 0.00 42.46 39.81 3nnk s ILE 350 CO 0.09 0.02 0.61 -0.83 0.24 0.00 0.00 174.94 175.08 3nnk s GLY 351 N -2.87 2.31 0.10 6.27 0.00 -0.15 -4.81 107.32 108.16 3nnk s GLY 351 Ca 0.34 -0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.77 3nnk s GLY 351 CO 0.28 0.01 0.50 -1.08 0.00 0.00 0.00 173.10 172.81 3nnk s THR 352 N -1.86 4.92 0.40 0.90 -1.32 -1.26 -1.56 115.64 115.86 3nnk s THR 352 Ca 0.49 0.80 -0.14 0.00 -1.21 0.00 0.00 61.69 61.64 3nnk s THR 352 Cb -0.11 -3.73 -0.08 0.00 -1.51 0.00 0.00 72.50 67.07 3nnk s THR 352 CO 0.20 0.35 0.81 -0.44 -2.21 0.00 0.00 174.62 173.33 3nnk s SER 353 N -1.53 6.66 0.21 8.08 0.01 -1.22 -4.81 113.70 121.10 3nnk s SER 353 Ca 0.33 1.31 0.11 0.00 1.31 0.00 0.00 55.95 59.01 3nnk s SER 353 Cb -0.16 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 3nnk s SER 353 CO 0.18 -0.36 -0.20 -0.36 0.41 0.00 0.00 173.24 172.90 3nnk s PHE 354 N -2.27 2.37 0.00 2.43 0.08 -1.26 -3.87 117.98 115.46 3nnk s PHE 354 Ca 0.54 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.27 3nnk s PHE 354 Cb -0.10 -1.14 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 3nnk s PHE 354 CO 0.25 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.32 3nnk n GLY 355 N 0.06 2.75 0.00 4.36 0.00 -1.26 -3.53 105.19 107.57 3nnk n GLY 355 Ca -0.11 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.69 3nnk n GLY 355 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 356 N 12.75 0.75 -0.04 1.61 -0.04 -1.26 -3.10 135.00 145.67 3nnk n PRO 356 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 3nnk n PRO 356 Cb 0.00 -1.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 3nnk n PRO 356 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3nnk n LEU 357 N -0.74 1.05 -4.68 1.53 4.77 -1.23 -5.00 117.00 112.70 3nnk n LEU 357 Ca 0.09 -1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 54.45 3nnk n LEU 357 Cb 0.04 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3nnk n LEU 357 CO 0.06 0.29 1.20 -2.28 -1.33 0.00 0.00 177.39 175.33 3nnk s HIS 358 N -0.67 2.58 0.00 -1.77 2.46 -1.18 -2.43 115.29 114.28 3nnk s HIS 358 Ca 0.03 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.20 3nnk s HIS 358 Cb 0.02 -3.72 0.00 0.00 -0.13 0.00 0.00 32.58 28.75 3nnk s HIS 358 CO 0.00 -2.79 0.00 0.41 -2.47 0.00 0.00 174.74 169.89 3nnk n GLY 359 N 3.80 0.79 0.03 1.59 0.00 -1.26 -4.88 105.19 105.26 3nnk n GLY 359 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3nnk n GLY 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nnk n LYS 360 N -2.00 2.71 -3.94 1.61 4.76 -1.02 -4.78 118.16 115.50 3nnk n LYS 360 Ca 0.00 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.29 3nnk n LYS 360 Cb 0.00 -1.17 -0.15 0.00 -1.84 0.00 0.00 35.03 31.87 3nnk n LYS 360 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3nnk s VAL 361 N -2.19 0.12 0.23 -0.18 1.01 -1.14 -1.00 120.40 117.25 3nnk s VAL 361 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3nnk s VAL 361 Cb 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.21 3nnk s VAL 361 CO 0.28 0.06 0.47 0.26 0.00 0.00 0.00 175.10 176.17 3nnk s TRP 362 N 0.24 3.47 -0.23 5.22 0.51 0.15 -3.40 118.94 124.90 3nnk s TRP 362 Ca -0.02 0.57 0.00 0.00 -2.12 0.00 0.00 56.10 54.53 3nnk s TRP 362 Cb -0.04 -2.03 0.03 0.00 -0.81 0.00 0.00 33.47 30.62 3nnk s TRP 362 CO -0.01 0.30 -0.11 1.03 -0.51 0.00 0.00 176.95 177.65 3nnk s ARG 363 N -3.21 2.75 -0.31 4.98 0.52 -0.60 -0.81 118.95 122.28 3nnk s ARG 363 Ca 0.42 -1.02 -0.02 0.00 -0.52 0.00 0.00 55.73 54.59 3nnk s ARG 363 Cb -0.11 -2.84 0.05 0.00 0.52 0.00 0.00 34.95 32.57 3nnk s ARG 363 CO 0.27 -0.38 0.01 0.42 0.02 0.00 0.00 175.30 175.65 3nnk s ILE 364 N 1.26 3.03 0.09 1.52 1.01 -0.53 -0.97 121.20 126.61 3nnk s ILE 364 Ca -0.01 -1.40 -0.04 0.00 0.00 0.00 0.00 60.65 59.20 3nnk s ILE 364 Cb -0.16 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 3nnk s ILE 364 CO -0.07 -0.14 0.31 -0.83 0.00 0.00 0.00 174.94 174.21 3nnk s GLY 365 N 1.28 2.23 -0.52 6.18 0.00 0.12 -2.03 107.32 114.58 3nnk s GLY 365 Ca -0.04 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.08 3nnk s GLY 365 CO -0.01 -0.54 0.36 -0.51 0.00 0.00 0.00 173.10 172.40 3nnk s THR 366 N -1.53 1.55 0.24 0.90 -4.23 0.63 -4.46 115.64 108.74 3nnk s THR 366 Ca 0.36 -3.17 0.11 0.00 -1.18 0.00 0.00 61.69 57.82 3nnk s THR 366 Cb -0.13 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.62 3nnk s THR 366 CO 0.23 -1.05 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.05 3nnk s MET 367 N -0.35 1.73 0.36 3.99 -1.94 -1.26 -4.40 119.30 117.42 3nnk s MET 367 Ca 0.25 -1.59 0.00 0.00 -1.71 0.00 0.00 55.69 52.65 3nnk s MET 367 Cb -0.08 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 34.87 3nnk s MET 367 CO -0.12 0.37 0.00 0.41 -0.01 0.00 0.00 175.02 175.67 3nnk n GLY 368 N -0.25 1.95 0.18 -0.03 0.00 -1.25 -0.32 105.19 105.48 3nnk n GLY 368 Ca -0.09 0.51 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 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 0.14 -0.08 1.61 3.20 -1.83 -3.01 116.97 117.00 3nnk h TYR 369 Ca 0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3nnk h TYR 369 Cb 0.00 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3nnk h TYR 369 CO 0.00 0.55 0.00 0.09 -1.64 0.00 0.00 178.16 177.16 3nnk n ASN 370 N -4.00 1.01 -4.27 -2.11 3.02 0.57 -4.45 115.26 105.03 3nnk n ASN 370 Ca -0.02 -1.52 -0.43 0.00 -0.03 0.00 0.00 54.58 52.58 3nnk n ASN 370 Cb 0.49 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nnk n ALA 371 N -0.14 4.32 -2.23 5.41 0.00 -0.82 -4.41 120.51 122.64 3nnk n ALA 371 Ca 0.17 -4.01 -0.13 0.00 0.00 0.00 0.00 53.44 49.47 3nnk n ALA 371 Cb 0.24 -3.38 -0.10 0.00 0.00 0.00 0.00 19.45 16.21 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 2.86 1.11 0.18 0.00 0.52 -1.26 -4.86 118.95 117.50 3nnk s ARG 372 Ca 0.48 -1.55 -0.11 0.00 -0.52 0.00 0.00 55.73 54.03 3nnk s ARG 372 Cb 0.05 -0.10 0.10 0.00 0.52 0.00 0.00 34.95 35.53 3nnk s ARG 372 CO 0.01 -0.20 1.77 -0.22 0.02 0.00 0.00 175.30 176.68 3nnk h LYS 373 N 2.69 0.94 0.00 3.54 3.64 -1.98 -2.96 116.57 122.44 3nnk h LYS 373 Ca -0.36 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 3nnk h LYS 373 Cb 1.21 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3nnk h LYS 373 CO 0.61 0.74 -0.45 0.38 -2.27 0.00 0.00 179.45 178.46 3nnk h ASP 374 N 0.90 0.00 -0.06 4.20 2.03 -1.97 -2.64 116.42 118.88 3nnk h ASP 374 Ca 0.22 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.49 3nnk h ASP 374 Cb 0.11 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.61 3nnk h ASP 374 CO -0.03 0.45 -0.10 0.00 -1.03 0.00 0.00 179.24 178.53 3nnk h VAL 376 N -0.31 1.06 0.12 0.00 2.07 -1.52 -2.56 116.25 115.11 3nnk h VAL 376 Ca 0.00 -0.17 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 3nnk h VAL 376 Cb 0.66 0.52 0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3nnk h VAL 376 CO 0.02 0.09 -0.71 -0.03 0.02 0.00 0.00 177.57 176.96 3nnk h MET 377 N 0.49 0.28 -0.73 1.57 -1.53 -1.46 -2.21 114.93 111.34 3nnk h MET 377 Ca 0.17 -0.45 -0.06 0.00 -3.44 0.00 0.00 59.70 55.91 3nnk h MET 377 Cb 0.05 0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 31.24 3nnk h MET 377 CO -0.04 1.21 0.22 1.15 0.14 0.00 0.00 176.91 179.59 3nnk h THR 378 N -0.41 1.26 -0.22 -0.77 2.02 -1.41 -1.32 112.91 112.06 3nnk h THR 378 Ca -0.12 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 3nnk h THR 378 Cb 1.55 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3nnk h THR 378 CO 0.13 0.36 0.05 0.74 0.37 0.00 0.00 175.52 177.17 3nnk h THR 379 N 1.10 1.21 -0.60 3.16 2.02 -1.53 -0.37 112.91 117.90 3nnk h THR 379 Ca 0.24 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.63 3nnk h THR 379 Cb 0.31 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3nnk h THR 379 CO -0.01 0.22 0.01 -0.07 0.37 0.00 0.00 175.52 176.05 3nnk h LEU 380 N 0.18 1.03 -0.52 2.58 3.38 -1.31 0.16 115.31 120.81 3nnk h LEU 380 Ca 0.07 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 3nnk h LEU 380 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3nnk h LEU 380 CO 0.00 1.08 -0.40 0.77 0.09 0.00 0.00 178.44 179.98 3nnk h SER 381 N 0.95 0.82 -0.37 -0.43 4.64 -1.23 -2.84 113.55 115.09 3nnk h SER 381 Ca 0.17 -0.37 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 3nnk h SER 381 Cb 0.54 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3nnk h SER 381 CO 0.03 1.11 -0.28 0.00 -0.87 0.00 0.00 176.83 176.82 3nnk h ALA 382 N 0.92 0.53 -0.53 5.18 0.00 -0.90 -2.50 119.26 121.97 3nnk h ALA 382 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3nnk h ALA 382 Cb 0.95 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3nnk h ALA 382 CO 0.09 0.56 0.30 1.25 0.00 0.00 0.00 179.25 181.44 3nnk h LEU 383 N 0.64 0.65 -0.45 0.00 6.46 -0.99 -2.13 115.31 119.50 3nnk h LEU 383 Ca 0.07 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 3nnk h LEU 383 Cb 0.86 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 3nnk h LEU 383 CO 0.07 0.54 0.22 -0.08 -0.62 0.00 0.00 178.44 178.57 3nnk h GLU 384 N 0.70 0.64 -0.79 1.25 4.81 -1.49 -1.37 114.58 118.34 3nnk h GLU 384 Ca 0.19 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3nnk h GLU 384 Cb 0.03 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3nnk h GLU 384 CO -0.03 0.54 0.35 0.00 -0.73 0.00 0.00 179.01 179.14 3nnk h ALA 385 N 1.06 1.02 -0.47 2.92 0.00 -1.30 -0.69 119.26 121.81 3nnk h ALA 385 Ca 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3nnk h ALA 385 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3nnk h ALA 385 CO -0.02 0.62 -0.04 0.28 0.00 0.00 0.00 179.25 180.09 3nnk h VAL 386 N 1.13 1.27 -0.69 0.00 2.07 -1.28 -2.19 116.25 116.56 3nnk h VAL 386 Ca 0.27 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 3nnk h VAL 386 Cb 0.17 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3nnk h VAL 386 CO -0.03 0.39 0.28 -0.07 0.02 0.00 0.00 177.57 178.16 3nnk h LEU 387 N 0.70 0.95 -0.67 2.57 3.38 -0.88 -1.80 115.31 119.56 3nnk h LEU 387 Ca 0.13 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3nnk h LEU 387 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3nnk h LEU 387 CO 0.03 0.85 0.00 0.78 0.09 0.00 0.00 178.44 180.20 3nnk h ASN 388 N 0.98 1.02 0.58 -0.43 2.35 -1.11 0.89 115.58 119.85 3nnk h ASN 388 Ca 0.23 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3nnk h ASN 388 Cb 0.20 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3nnk h ASN 388 CO -0.02 1.06 -0.07 0.22 -1.65 0.00 0.00 177.43 176.98 3nnk h TYR 389 N 0.95 0.00 -0.62 1.19 5.03 -1.18 -1.05 116.97 121.28 3nnk h TYR 389 Ca 0.17 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.48 3nnk h TYR 389 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.82 3nnk h TYR 389 CO 0.04 0.07 0.00 1.28 -1.32 0.00 0.00 178.16 178.22 3nnk n LEU 390 N -3.31 3.63 -0.69 2.82 4.32 -0.69 -4.97 117.00 118.11 3nnk n LEU 390 Ca -0.01 -1.76 -0.07 0.00 -0.02 0.00 0.00 56.01 54.14 3nnk n LEU 390 Cb 0.25 -0.41 -0.02 0.00 -1.62 0.00 0.00 43.42 41.61 3nnk n LEU 390 CO 0.27 0.88 -0.08 2.29 -1.22 0.00 0.00 177.39 179.53 3nnk n LYS 391 N 1.50 -0.55 -3.00 3.23 0.00 -0.40 -4.98 118.16 113.97 3nnk n LYS 391 Ca 0.22 0.58 -0.42 0.00 -0.00 0.00 0.00 58.31 58.70 3nnk n LYS 391 Cb 0.59 -4.44 -0.05 0.00 -0.00 0.00 0.00 35.03 31.12 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3nnk s PHE 392 N -2.32 3.18 0.25 5.58 5.36 0.24 -4.99 117.98 125.28 3nnk s PHE 392 Ca 0.00 0.67 -0.30 0.00 -0.96 0.00 0.00 56.93 56.35 3nnk s PHE 392 Cb 0.00 -3.20 -0.09 0.00 -0.34 0.00 0.00 43.02 39.38 3nnk s PHE 392 CO 0.00 -0.59 1.19 -2.14 -1.46 0.00 0.00 175.22 172.22 3nnk s PRO 393 N 2.90 4.51 0.06 10.12 0.02 -1.26 -3.96 135.00 147.38 3nnk s PRO 393 Ca 0.30 1.93 0.02 0.00 0.02 0.00 0.00 61.00 63.27 3nnk s PRO 393 Cb -0.14 -3.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 3nnk s PRO 393 CO 0.13 -0.01 -0.07 0.95 -0.33 0.00 0.00 177.00 177.67 3nnk s THR 394 N -0.67 0.59 -0.40 0.99 -4.23 -1.26 -4.99 115.64 105.66 3nnk s THR 394 Ca 0.49 -1.37 -0.29 0.00 -1.18 0.00 0.00 61.69 59.35 3nnk s THR 394 Cb -0.34 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.54 3nnk s THR 394 CO 0.42 -0.55 1.42 -0.89 -0.54 0.00 0.00 174.62 174.48 3nnk s THR 395 N -2.14 3.90 -0.06 3.99 2.01 -1.26 -4.93 115.64 117.14 3nnk s THR 395 Ca -0.03 0.92 -0.35 0.00 0.31 0.00 0.00 61.69 62.54 3nnk s THR 395 Cb -0.05 -4.17 -0.13 0.00 0.01 0.00 0.00 72.50 68.16 3nnk s THR 395 CO -0.01 -0.72 1.77 1.67 -0.69 0.00 0.00 174.62 176.63 3nnk n GLN 396 N 8.04 1.93 -1.00 4.92 7.27 -1.26 -1.72 117.38 135.57 3nnk n GLN 396 Ca 0.17 0.71 -0.00 0.00 0.07 0.00 0.00 57.00 57.94 3nnk n GLN 396 Cb 0.48 -2.50 -0.00 0.00 2.41 0.00 0.00 30.24 30.63 3nnk n GLN 396 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 397 N 4.06 0.35 0.14 1.69 0.00 -1.26 -4.89 105.19 105.28 3nnk n GLY 397 Ca 0.22 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 0.09 -0.77 4.61 0.00 -1.65 -2.77 119.26 118.77 3nnk h ALA 398 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.82 3nnk h ALA 398 Cb 0.32 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3nnk h ALA 398 CO 0.00 0.94 0.48 0.00 0.00 0.00 0.00 179.25 180.68 3nnk h ALA 399 N 0.11 0.98 -0.19 0.00 0.00 -1.74 -2.11 119.26 116.30 3nnk h ALA 399 Ca -0.33 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 3nnk h ALA 399 Cb 2.09 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.57 3nnk h ALA 399 CO 0.19 0.42 -0.62 0.52 0.00 0.00 0.00 179.25 179.75 3nnk h MET 400 N 1.04 0.75 -0.87 0.00 2.07 -1.86 -2.88 114.93 113.19 3nnk h MET 400 Ca 0.28 -0.56 -0.00 0.00 -2.07 0.00 0.00 59.70 57.35 3nnk h MET 400 Cb -0.08 0.10 -0.04 0.00 -1.87 0.00 0.00 31.60 29.71 3nnk h MET 400 CO -0.06 1.18 0.54 0.37 1.07 0.00 0.00 176.91 180.01 3nnk h GLN 401 N 0.48 1.17 -0.67 1.72 5.75 -1.41 0.56 115.11 122.70 3nnk h GLN 401 Ca -0.03 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 3nnk h GLN 401 Cb 1.25 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 3nnk h GLN 401 CO 0.13 0.80 0.26 0.00 -2.65 0.00 0.00 178.83 177.38 3nnk h ALA 402 N 1.29 1.20 -0.21 3.38 0.00 -1.39 0.35 119.26 123.89 3nnk h ALA 402 Ca 0.31 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3nnk h ALA 402 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3nnk h ALA 402 CO -0.06 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.74 3nnk h ALA 403 N 1.32 0.28 -0.71 0.00 0.00 -1.20 -2.80 119.26 116.15 3nnk h ALA 403 Ca 0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3nnk h ALA 403 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3nnk h ALA 403 CO -0.02 0.03 0.29 -1.49 0.00 0.00 0.00 179.25 178.06 3nnk h TRP 404 N 0.12 1.06 -0.69 0.00 6.55 -0.59 -3.06 115.95 119.33 3nnk h TRP 404 Ca 0.05 -0.07 -0.06 0.00 0.95 0.00 0.00 58.89 59.76 3nnk h TRP 404 Cb 0.45 -0.32 -0.03 0.00 -0.86 0.00 0.00 29.16 28.40 3nnk h TRP 404 CO 0.04 0.80 0.18 -0.44 -1.05 0.00 0.00 178.44 177.98 3nnk h ASP 405 N 1.03 1.03 -0.11 -3.49 3.32 -0.29 -2.20 116.42 115.71 3nnk h ASP 405 Ca 0.24 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3nnk h ASP 405 Cb 0.18 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3nnk h ASP 405 CO -0.02 0.98 0.04 -0.74 -1.72 0.00 0.00 179.24 177.78 3nnk h HIS 406 N 1.04 0.17 -0.69 4.55 2.76 -1.42 -0.53 115.15 121.04 3nnk h HIS 406 Ca 0.22 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 3nnk h HIS 406 Cb 0.34 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 3nnk h HIS 406 CO 0.03 0.28 0.34 1.88 -1.30 0.00 0.00 177.93 179.15 3nnk h TYR 407 N 0.02 0.98 -0.66 5.26 0.05 -1.47 0.75 116.97 121.90 3nnk h TYR 407 Ca 0.04 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 3nnk h TYR 407 Cb 0.18 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 3nnk h TYR 407 CO -0.01 0.73 0.08 0.00 -1.05 0.00 0.00 178.16 177.90 3nnk h ARG 408 N 0.96 1.11 0.19 4.88 -0.00 -1.37 -1.88 114.38 118.27 3nnk h ARG 408 Ca 0.24 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.98 59.40 3nnk h ARG 408 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 29.95 3nnk h ARG 408 CO -0.03 1.03 -0.09 0.77 0.00 0.00 0.00 179.97 181.64 3nnk h SER 409 N 1.03 -0.22 0.12 7.04 0.02 -0.73 -3.11 113.55 117.70 3nnk h SER 409 Ca 0.20 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3nnk h SER 409 Cb 0.48 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 3nnk h SER 409 CO 0.02 0.03 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.32 3nnk h GLU 410 N -0.47 0.00 0.00 3.45 5.08 -0.86 -3.51 114.58 118.27 3nnk h GLU 410 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3nnk h GLU 410 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3nnk h GLU 410 CO 0.04 0.09 0.00 2.89 -1.00 0.00 0.00 179.01 181.03