#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk n ILE 3 N 0.00 0.11 0.23 2.12 0.13 -1.26 -3.35 119.36 117.34 3nnk n ILE 3 Ca 0.00 0.03 0.12 0.00 -1.10 0.00 0.00 62.75 61.80 3nnk n ILE 3 Cb 0.00 -0.57 0.39 0.00 -0.84 0.00 0.00 39.64 38.62 3nnk n ILE 3 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3nnk h THR 4 N 0.00 0.27 -0.53 9.51 1.35 -2.11 -3.13 112.91 118.27 3nnk h THR 4 Ca 0.00 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 3nnk h THR 4 Cb 0.31 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3nnk h THR 4 CO 0.00 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 3nnk n GLN 5 N -3.20 2.54 -3.69 4.72 3.00 -1.21 -4.65 117.38 114.89 3nnk n GLN 5 Ca 0.02 -2.05 -0.38 0.00 -0.01 0.00 0.00 57.00 54.58 3nnk n GLN 5 Cb 0.46 -1.53 -0.10 0.00 0.00 0.00 0.00 30.24 29.07 3nnk n GLN 5 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3nnk s PHE 6 N -1.43 3.52 0.43 1.08 0.40 -1.19 -5.09 117.98 115.70 3nnk s PHE 6 Ca 0.38 -2.29 0.08 0.00 -0.60 0.00 0.00 56.93 54.49 3nnk s PHE 6 Cb 0.21 -3.32 0.00 0.00 0.51 0.00 0.00 43.02 40.43 3nnk s PHE 6 CO 0.23 -0.96 0.49 -1.54 0.70 0.00 0.00 175.22 174.14 3nnk s SER 7 N 1.91 5.31 0.02 1.36 1.04 -1.26 -5.05 113.70 117.03 3nnk s SER 7 Ca 0.09 -0.63 -0.18 0.00 0.48 0.00 0.00 55.95 55.71 3nnk s SER 7 Cb -0.23 -0.51 -0.09 0.00 0.10 0.00 0.00 66.02 65.29 3nnk s SER 7 CO -0.03 -0.77 0.45 1.67 0.98 0.00 0.00 173.24 175.54 3nnk n GLN 8 N -1.74 0.00 -1.70 4.02 7.27 -1.26 -4.81 117.38 119.16 3nnk n GLN 8 Ca 0.06 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.70 3nnk n GLN 8 Cb 0.61 -0.66 -0.03 0.00 2.41 0.00 0.00 30.24 32.57 3nnk n GLN 8 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3nnk n LEU 9 N 0.78 3.88 -3.04 1.69 -0.00 -1.26 -4.96 117.00 114.08 3nnk n LEU 9 Ca 0.09 1.04 -0.15 0.00 -0.00 0.00 0.00 56.01 56.99 3nnk n LEU 9 Cb 0.06 -1.54 -0.04 0.00 -0.00 0.00 0.00 43.42 41.90 3nnk n LEU 9 CO 0.29 0.11 -0.08 -3.20 -0.00 0.00 0.00 177.39 174.50 3nnk n ASN 10 N 4.42 -1.85 -4.78 1.96 4.05 -1.26 -5.14 115.26 112.67 3nnk n ASN 10 Ca 0.17 -2.74 -0.37 0.00 0.45 0.00 0.00 54.58 52.09 3nnk n ASN 10 Cb 0.35 0.62 -0.04 0.00 1.23 0.00 0.00 39.78 41.94 3nnk n ASN 10 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 3nnk s PRO 11 N 0.29 4.24 0.84 1.20 0.02 -1.26 -5.03 135.00 135.31 3nnk s PRO 11 Ca 0.32 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 62.79 3nnk s PRO 11 Cb 0.07 -2.64 0.10 0.00 0.02 0.00 0.00 34.50 32.04 3nnk s PRO 11 CO -0.14 -0.08 1.10 -1.25 -0.33 0.00 0.00 177.00 176.30 3nnk s PRO 12 N -2.33 1.66 -0.15 5.54 0.04 -1.26 -4.97 135.00 133.53 3nnk s PRO 12 Ca 0.56 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 3nnk s PRO 12 Cb -0.23 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 3nnk s PRO 12 CO 0.30 -2.08 1.22 0.45 0.04 0.00 0.00 177.00 176.92 3nnk s SER 13 N -3.17 6.99 -0.02 6.66 0.15 -1.26 -5.02 113.70 118.03 3nnk s SER 13 Ca 0.63 1.67 0.02 0.00 0.70 0.00 0.00 55.95 58.97 3nnk s SER 13 Cb -0.19 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.58 3nnk s SER 13 CO 0.57 -0.71 -0.06 -0.13 1.20 0.00 0.00 173.24 174.11 3nnk s ARG 14 N 3.21 0.71 -0.65 5.44 1.81 -1.26 -4.86 118.95 123.35 3nnk s ARG 14 Ca 0.53 -0.20 -0.17 0.00 -1.72 0.00 0.00 55.73 54.18 3nnk s ARG 14 Cb -0.21 -0.70 0.14 0.00 -0.45 0.00 0.00 34.95 33.72 3nnk s ARG 14 CO 0.15 0.06 0.68 -1.17 -0.68 0.00 0.00 175.30 174.34 3nnk s LEU 15 N 0.30 5.89 -0.68 2.53 2.96 -0.09 -4.91 118.68 124.69 3nnk s LEU 15 Ca -0.04 -1.84 -0.27 0.00 -0.22 0.00 0.00 54.13 51.75 3nnk s LEU 15 Cb -0.08 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.37 3nnk s LEU 15 CO 0.00 -0.92 1.27 -0.76 -1.32 0.00 0.00 176.35 174.62 3nnk s LEU 16 N 1.84 3.27 -0.24 -0.68 1.43 -1.26 -1.98 118.68 121.05 3nnk s LEU 16 Ca 0.12 -0.21 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 3nnk s LEU 16 Cb -0.22 -2.78 0.45 0.00 0.03 0.00 0.00 46.19 43.67 3nnk s LEU 16 CO 0.01 -1.73 1.33 0.23 0.23 0.00 0.00 176.35 176.42 3nnk n MET 17 N 9.03 1.73 0.00 1.70 2.81 0.07 -4.40 117.12 128.06 3nnk n MET 17 Ca 0.06 -3.20 0.00 0.00 -1.81 0.00 0.00 57.70 52.75 3nnk n MET 17 Cb 0.49 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 3nnk n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nnk n GLY 18 N -1.12 1.22 0.10 3.03 0.00 -0.91 -0.09 105.19 107.41 3nnk n GLY 18 Ca 0.25 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.60 3nnk n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 19 N 0.00 0.46 0.00 1.61 -0.04 -1.26 -2.81 135.00 132.96 3nnk n PRO 19 Ca 0.00 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 3nnk n PRO 19 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.38 4.47 3.82 0.55 0.00 -1.26 -4.94 105.19 109.21 3nnk n GLY 20 Ca 0.11 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 -4.13 2.86 0.38 1.61 0.04 -1.26 -5.13 135.00 129.38 3nnk s PRO 21 Ca 0.00 0.96 0.08 0.00 0.04 0.00 0.00 61.00 62.08 3nnk s PRO 21 Cb 0.00 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 3nnk s PRO 21 CO 0.00 -1.15 0.07 0.96 0.04 0.00 0.00 177.00 176.91 3nnk s ILE 22 N -3.04 2.33 0.29 0.56 -5.25 -0.94 -4.78 121.20 110.38 3nnk s ILE 22 Ca 0.58 -1.89 -0.30 0.00 -0.99 0.00 0.00 60.65 58.05 3nnk s ILE 22 Cb -0.14 -2.91 -0.12 0.00 2.95 0.00 0.00 42.46 42.23 3nnk s ILE 22 CO 0.55 -0.08 1.46 0.59 -1.79 0.00 0.00 174.94 175.68 3nnk n ASN 23 N -1.05 3.28 -4.82 4.36 4.13 -1.26 -4.89 115.26 115.01 3nnk n ASN 23 Ca -0.03 1.17 -0.33 0.00 1.68 0.00 0.00 54.58 57.06 3nnk n ASN 23 Cb 0.64 -1.52 -0.06 0.00 -1.54 0.00 0.00 39.78 37.31 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 -0.35 2.99 0.19 5.41 0.00 -1.26 -4.46 121.76 124.29 3nnk s ALA 24 Ca 0.63 0.44 -0.32 0.00 0.00 0.00 0.00 51.96 52.71 3nnk s ALA 24 Cb -0.56 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 3nnk s ALA 24 CO 0.53 -0.02 1.66 0.34 0.00 0.00 0.00 175.76 178.26 3nnk s ASP 25 N -2.20 6.47 0.46 0.00 -1.08 -0.69 -4.91 116.67 114.73 3nnk s ASP 25 Ca 0.63 2.75 0.16 0.00 -0.52 0.00 0.00 52.55 55.58 3nnk s ASP 25 Cb -0.11 -2.60 1.13 0.00 -1.46 0.00 0.00 42.92 39.88 3nnk s ASP 25 CO 0.16 -0.91 2.01 -0.65 0.52 0.00 0.00 175.17 176.30 3nnk h PRO 26 N 6.82 0.27 -0.12 4.34 0.11 -1.95 -0.34 132.00 141.13 3nnk h PRO 26 Ca -0.43 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 3nnk h PRO 26 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3nnk h PRO 26 CO 0.94 0.18 -0.27 0.00 -0.21 0.00 0.00 178.00 178.64 3nnk h ARG 27 N 0.28 0.22 -0.15 1.05 -0.00 -1.96 -1.29 114.38 112.53 3nnk h ARG 27 Ca 0.23 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.98 59.60 3nnk h ARG 27 Cb 0.55 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.50 3nnk h ARG 27 CO -0.05 0.48 -0.07 0.28 0.00 0.00 0.00 179.97 180.61 3nnk h VAL 28 N 0.20 1.31 -0.39 2.04 2.07 -1.38 -2.28 116.25 117.82 3nnk h VAL 28 Ca 0.03 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.47 3nnk h VAL 28 Cb 0.58 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3nnk h VAL 28 CO 0.04 0.32 0.24 -0.07 0.02 0.00 0.00 177.57 178.12 3nnk h LEU 29 N -0.01 0.39 -0.73 2.57 3.38 -1.23 -2.61 115.31 117.07 3nnk h LEU 29 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3nnk h LEU 29 Cb 0.53 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3nnk h LEU 29 CO 0.02 0.28 0.35 0.03 0.09 0.00 0.00 178.44 179.22 3nnk h ARG 30 N 0.48 1.06 -0.47 1.13 3.08 -1.27 -2.40 114.38 115.99 3nnk h ARG 30 Ca 0.15 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3nnk h ARG 30 Cb -0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3nnk h ARG 30 CO -0.06 0.83 0.31 0.00 -1.07 0.00 0.00 179.97 179.97 3nnk h ALA 31 N 1.17 1.85 0.00 0.04 0.00 -1.21 -1.71 119.26 119.41 3nnk h ALA 31 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3nnk h ALA 31 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3nnk h ALA 31 CO -0.03 0.09 0.00 0.52 0.00 0.00 0.00 179.25 179.83 3nnk h MET 32 N 0.47 0.00 -0.03 0.00 2.86 -1.05 -2.61 114.93 114.57 3nnk h MET 32 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3nnk h MET 32 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3nnk h MET 32 CO -0.05 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.79 3nnk n SER 33 N -2.56 1.07 -4.74 1.22 3.41 -0.64 -4.91 113.62 106.46 3nnk n SER 33 Ca 0.01 -1.39 -0.41 0.00 -0.26 0.00 0.00 58.87 56.82 3nnk n SER 33 Cb 0.25 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.93 7.02 0.60 4.04 0.15 -0.98 -5.00 113.70 117.60 3nnk s SER 34 Ca 0.39 2.34 -0.18 0.00 0.70 0.00 0.00 55.95 59.21 3nnk s SER 34 Cb 0.20 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 3nnk s SER 34 CO 0.33 -0.40 1.16 -1.58 1.20 0.00 0.00 173.24 173.95 3nnk s GLN 35 N -0.59 3.00 0.52 5.44 2.00 -1.26 -4.94 119.66 123.82 3nnk s GLN 35 Ca 0.52 1.64 -0.02 0.00 -2.00 0.00 0.00 55.36 55.50 3nnk s GLN 35 Cb -0.34 -1.95 0.01 0.00 0.80 0.00 0.00 33.01 31.52 3nnk s GLN 35 CO 0.40 -1.14 0.78 -0.51 -0.50 0.00 0.00 175.29 174.32 3nnk s LEU 36 N -4.25 3.42 0.44 3.68 1.43 -1.26 -5.10 118.68 117.03 3nnk s LEU 36 Ca 0.73 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 3nnk s LEU 36 Cb -0.26 -3.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 3nnk s LEU 36 CO 0.34 -0.92 0.06 0.27 0.23 0.00 0.00 176.35 176.32 3nnk s ILE 37 N -2.77 1.06 0.74 -0.59 -0.00 -1.26 -5.15 121.20 113.23 3nnk s ILE 37 Ca 0.52 -2.00 -0.12 0.00 -0.00 0.00 0.00 60.65 59.05 3nnk s ILE 37 Cb -0.10 -2.42 0.04 0.00 -0.00 0.00 0.00 42.46 39.97 3nnk s ILE 37 CO 0.41 0.00 1.10 -0.83 -0.00 0.00 0.00 174.94 175.61 3nnk s GLY 38 N -3.70 1.82 0.28 6.27 0.00 -1.26 -4.94 107.32 105.79 3nnk s GLY 38 Ca 0.20 0.35 0.02 0.00 0.00 0.00 0.00 44.72 45.29 3nnk s GLY 38 CO 0.11 0.69 1.80 -1.61 0.00 0.00 0.00 173.10 174.09 3nnk h GLN 39 N -0.76 0.84 -0.34 2.90 4.15 -2.01 -2.88 115.11 117.00 3nnk h GLN 39 Ca -0.44 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 58.84 3nnk h GLN 39 Cb 1.23 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.69 3nnk h GLN 39 CO 0.52 0.55 0.01 0.66 -1.93 0.00 0.00 178.83 178.65 3nnk n TYR 40 N -4.71 1.13 -2.14 3.99 4.01 -1.26 -4.66 117.16 113.53 3nnk n TYR 40 Ca 0.20 -1.15 -0.41 0.00 -0.16 0.00 0.00 57.90 56.37 3nnk n TYR 40 Cb 0.43 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 3nnk n TYR 40 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3nnk s ASP 41 N -2.06 6.80 0.57 7.72 -1.08 -1.09 -4.89 116.67 122.64 3nnk s ASP 41 Ca 0.44 2.56 0.31 0.00 -0.52 0.00 0.00 52.55 55.34 3nnk s ASP 41 Cb 0.37 -2.63 1.43 0.00 -1.46 0.00 0.00 42.92 40.63 3nnk s ASP 41 CO 0.06 -0.57 1.79 -0.65 0.52 0.00 0.00 175.17 176.33 3nnk h PRO 42 N 4.65 0.00 0.01 4.34 0.11 -1.94 0.11 132.00 139.28 3nnk h PRO 42 Ca -0.46 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 3nnk h PRO 42 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 3nnk h PRO 42 CO 0.74 0.00 -1.00 0.00 -0.21 0.00 0.00 178.00 177.52 3nnk h ALA 43 N 1.33 0.26 -0.20 -0.75 0.00 -1.95 -2.48 119.26 115.47 3nnk h ALA 43 Ca 0.37 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3nnk h ALA 43 Cb 1.77 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3nnk h ALA 43 CO -0.00 0.77 0.05 1.98 0.00 0.00 0.00 179.25 182.04 3nnk h MET 44 N 0.28 0.33 0.00 0.00 -1.53 -1.09 -2.08 114.93 110.84 3nnk h MET 44 Ca -0.10 -0.08 -0.06 0.00 -3.44 0.00 0.00 59.70 56.02 3nnk h MET 44 Cb 1.65 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 32.65 3nnk h MET 44 CO 0.18 0.46 -0.28 1.79 0.14 0.00 0.00 176.91 179.20 3nnk h THR 45 N 0.14 1.03 -0.42 -0.77 1.35 -1.48 -1.75 112.91 111.01 3nnk h THR 45 Ca 0.06 -1.01 -0.05 0.00 -0.55 0.00 0.00 66.41 64.86 3nnk h THR 45 Cb 0.28 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 3nnk h THR 45 CO 0.00 0.27 0.06 -0.74 -0.25 0.00 0.00 175.52 174.86 3nnk h HIS 46 N 0.00 0.75 0.00 4.73 6.17 -1.24 -1.99 115.15 123.57 3nnk h HIS 46 Ca -0.00 -0.11 -0.09 0.00 0.71 0.00 0.00 60.37 60.88 3nnk h HIS 46 Cb 0.55 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.26 3nnk h HIS 46 CO 0.00 0.73 -0.44 1.88 0.71 0.00 0.00 177.93 180.81 3nnk h TYR 47 N 0.55 0.00 -0.19 5.26 0.99 -1.00 -0.64 116.97 121.95 3nnk h TYR 47 Ca 0.13 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.75 3nnk h TYR 47 Cb 0.39 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.11 3nnk h TYR 47 CO 0.03 0.44 -0.35 0.52 -0.00 0.00 0.00 178.16 178.80 3nnk h MET 48 N 0.00 0.41 -0.26 4.88 2.86 -1.22 -0.24 114.93 121.36 3nnk h MET 48 Ca -0.00 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 3nnk h MET 48 Cb 0.87 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 3nnk h MET 48 CO 0.06 0.71 -0.28 -0.91 1.06 0.00 0.00 176.91 177.55 3nnk h ASN 49 N 0.35 0.70 -0.25 1.22 -0.26 -0.90 -2.55 115.58 113.89 3nnk h ASN 49 Ca 0.04 -0.48 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 3nnk h ASN 49 Cb 0.79 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 3nnk h ASN 49 CO 0.06 1.04 0.16 -0.33 -1.06 0.00 0.00 177.43 177.30 3nnk h GLU 50 N 0.38 0.34 -0.44 0.81 5.08 -1.01 -2.31 114.58 117.41 3nnk h GLU 50 Ca 0.04 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3nnk h GLU 50 Cb 0.85 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 3nnk h GLU 50 CO 0.07 0.24 0.16 0.28 -1.00 0.00 0.00 179.01 178.76 3nnk h VAL 51 N 0.33 0.86 -0.15 3.13 2.07 -1.08 0.12 116.25 121.54 3nnk h VAL 51 Ca 0.09 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3nnk h VAL 51 Cb -0.02 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3nnk h VAL 51 CO -0.02 0.06 -0.09 0.24 0.02 0.00 0.00 177.57 177.78 3nnk h MET 52 N 0.33 -0.08 -0.63 1.57 2.86 -1.28 -1.60 114.93 116.10 3nnk h MET 52 Ca 0.21 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.77 3nnk h MET 52 Cb 0.20 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3nnk h MET 52 CO -0.21 -0.06 0.06 0.00 1.06 0.00 0.00 176.91 177.76 3nnk h ALA 53 N 1.04 0.91 -0.38 6.32 0.00 -1.09 -2.92 119.26 123.13 3nnk h ALA 53 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3nnk h ALA 53 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3nnk h ALA 53 CO -0.21 0.66 0.22 -0.07 0.00 0.00 0.00 179.25 179.85 3nnk h LEU 54 N 0.99 0.47 -0.48 0.00 3.38 -0.47 -2.91 115.31 116.30 3nnk h LEU 54 Ca 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3nnk h LEU 54 Cb 0.49 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3nnk h LEU 54 CO 0.02 0.41 0.00 1.88 0.09 0.00 0.00 178.44 180.84 3nnk h TYR 55 N 0.49 0.00 -0.43 1.13 0.05 -1.24 -2.71 116.97 114.26 3nnk h TYR 55 Ca 0.14 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 3nnk h TYR 55 Cb 0.04 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 3nnk h TYR 55 CO -0.03 0.00 0.11 0.00 -1.05 0.00 0.00 178.16 177.19 3nnk h ARG 56 N 0.00 0.69 0.00 4.88 3.08 -1.31 0.23 114.38 121.94 3nnk h ARG 56 Ca 0.00 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 3nnk h ARG 56 Cb 0.54 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3nnk h ARG 56 CO 0.00 0.69 -0.38 0.78 -1.07 0.00 0.00 179.97 179.99 3nnk h GLY 57 N 0.56 0.00 0.92 0.04 0.00 -1.50 0.68 103.07 103.77 3nnk h GLY 57 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.24 3nnk h GLY 57 CO 0.00 0.00 -0.95 -2.08 0.00 0.00 0.00 176.54 173.51 3nnk h VAL 58 N 0.00 1.41 0.00 4.60 2.07 -1.38 -3.23 116.25 119.72 3nnk h VAL 58 Ca -0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.09 3nnk h VAL 58 Cb 0.75 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 3nnk h VAL 58 CO 0.05 0.71 0.00 0.49 0.02 0.00 0.00 177.57 178.84 3nnk n PHE 59 N -4.02 0.87 -3.43 1.57 3.72 0.06 -4.89 117.46 111.34 3nnk n PHE 59 Ca -0.13 0.31 -0.18 0.00 -0.05 0.00 0.00 57.45 57.40 3nnk n PHE 59 Cb 0.86 -1.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.47 3nnk n PHE 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3nnk n ARG 60 N -2.27 -4.54 -4.24 -1.08 5.12 -0.13 -2.90 116.66 106.64 3nnk n ARG 60 Ca 0.03 0.79 -0.13 0.00 -1.93 0.00 0.00 57.85 56.61 3nnk n ARG 60 Cb 0.30 -5.64 -0.10 0.00 -1.16 0.00 0.00 32.46 25.86 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 -3.43 0.72 -0.71 0.55 -1.32 0.04 -3.49 115.64 108.00 3nnk s THR 61 Ca 0.19 -1.98 0.10 0.00 -1.21 0.00 0.00 61.69 58.78 3nnk s THR 61 Cb -0.03 -2.07 0.29 0.00 -1.51 0.00 0.00 72.50 69.18 3nnk s THR 61 CO 0.75 -0.53 1.24 -0.62 -2.21 0.00 0.00 174.62 173.26 3nnk n GLU 62 N -0.22 2.87 -1.68 7.08 1.02 -1.26 -4.50 120.64 123.94 3nnk n GLU 62 Ca -0.07 -2.07 -0.45 0.00 -0.02 0.00 0.00 57.16 54.54 3nnk n GLU 62 Cb 0.63 -1.30 -0.04 0.00 -0.02 0.00 0.00 31.44 30.71 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 0.24 3.66 -0.23 1.62 3.02 -1.26 -4.89 115.26 117.41 3nnk n ASN 63 Ca 0.11 1.00 -0.06 0.00 -0.03 0.00 0.00 54.58 55.60 3nnk n ASN 63 Cb 0.46 -1.46 0.05 0.00 -0.61 0.00 0.00 39.78 38.21 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 8.31 0.87 -3.35 3.52 2.43 -1.96 -3.32 114.38 120.87 3nnk h ARG 64 Ca -0.47 -0.06 -0.76 0.00 -0.81 0.00 0.00 59.98 57.88 3nnk h ARG 64 Cb 1.25 -0.19 -0.16 0.00 -0.42 0.00 0.00 29.97 30.44 3nnk h ARG 64 CO 0.93 0.59 1.99 0.91 -1.51 0.00 0.00 179.97 182.88 3nnk n TRP 65 N -4.62 2.83 -4.15 2.20 7.02 -1.26 -4.89 117.44 114.57 3nnk n TRP 65 Ca 0.05 -2.77 -0.34 0.00 -1.02 0.00 0.00 57.50 53.42 3nnk n TRP 65 Cb 0.03 -1.88 -0.15 0.00 -2.42 0.00 0.00 31.31 26.89 3nnk n TRP 65 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3nnk s THR 66 N -0.04 2.97 0.11 -0.99 2.01 -1.25 -1.81 115.64 116.64 3nnk s THR 66 Ca 0.40 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 3nnk s THR 66 Cb 0.10 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.32 3nnk s THR 66 CO 0.00 0.47 0.20 1.15 -0.69 0.00 0.00 174.62 175.75 3nnk n MET 67 N 4.48 0.28 -4.13 4.92 0.00 -0.14 -4.45 117.12 118.08 3nnk n MET 67 Ca -0.19 -0.68 -0.30 0.00 0.00 0.00 0.00 57.70 56.54 3nnk n MET 67 Cb 0.51 0.78 -0.08 0.00 0.00 0.00 0.00 33.22 34.43 3nnk n MET 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3nnk s LEU 68 N 0.00 3.47 -0.13 3.17 1.43 -1.26 -0.35 118.68 125.01 3nnk s LEU 68 Ca 0.06 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3nnk s LEU 68 Cb -0.01 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3nnk s LEU 68 CO 0.04 0.16 -0.19 -0.69 0.23 0.00 0.00 176.35 175.90 3nnk s VAL 69 N -1.38 2.39 -0.95 -1.59 1.01 -0.03 -4.92 120.40 114.93 3nnk s VAL 69 Ca 0.26 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 3nnk s VAL 69 Cb -0.11 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.34 3nnk s VAL 69 CO 0.19 0.54 1.39 -1.81 0.00 0.00 0.00 175.10 175.40 3nnk s ASP 70 N 0.65 6.43 0.00 3.32 -0.00 -1.26 -1.11 116.67 124.69 3nnk s ASP 70 Ca -0.10 -1.25 0.00 0.00 -0.00 0.00 0.00 52.55 51.20 3nnk s ASP 70 Cb -0.16 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.20 3nnk s ASP 70 CO 0.02 -1.56 0.00 0.61 -0.00 0.00 0.00 175.17 174.24 3nnk n GLY 71 N 6.46 1.31 3.26 0.21 0.00 -0.99 -5.01 105.19 110.43 3nnk n GLY 71 Ca 0.25 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.64 0.00 -0.20 2.61 -2.24 -1.26 -1.74 114.28 110.81 3nnk n THR 72 Ca 0.00 -0.33 0.01 0.00 -2.27 0.00 0.00 64.05 61.46 3nnk n THR 72 Cb 0.00 -1.15 0.11 0.00 -2.10 0.00 0.00 70.33 67.19 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 -2.91 -0.12 0.96 3.42 0.02 -1.77 -1.36 113.55 111.79 3nnk h SER 73 Ca -0.39 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3nnk h SER 73 Cb 1.22 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.97 3nnk h SER 73 CO 0.25 -0.05 0.00 -2.11 -1.14 0.00 0.00 176.83 173.78 3nnk n ARG 74 N -5.20 0.18 0.02 3.45 1.85 -1.26 -1.85 116.66 113.86 3nnk n ARG 74 Ca 0.09 0.31 -0.07 0.00 -1.00 0.00 0.00 57.85 57.18 3nnk n ARG 74 Cb 0.35 -1.78 0.11 0.00 -1.05 0.00 0.00 32.46 30.08 3nnk n ARG 74 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3nnk h ALA 75 N 2.43 0.84 -0.38 2.89 0.00 -1.55 -0.48 119.26 123.00 3nnk h ALA 75 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3nnk h ALA 75 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3nnk h ALA 75 CO 0.00 0.66 -0.34 0.78 0.00 0.00 0.00 179.25 180.35 3nnk h GLY 76 N 1.14 0.96 1.00 0.00 0.00 -1.28 -0.09 103.07 104.79 3nnk h GLY 76 Ca 0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 3nnk h GLY 76 CO 0.09 0.85 -0.06 -2.22 0.00 0.00 0.00 176.54 175.19 3nnk h ILE 77 N 0.73 0.87 -0.67 2.60 2.04 -1.42 -2.67 117.51 118.99 3nnk h ILE 77 Ca 0.07 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3nnk h ILE 77 Cb 0.91 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3nnk h ILE 77 CO 0.08 0.00 0.35 -0.08 0.00 0.00 0.00 178.15 178.50 3nnk h GLU 78 N -0.19 0.96 -0.53 2.37 4.81 -1.00 -1.59 114.58 119.40 3nnk h GLU 78 Ca -0.02 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3nnk h GLU 78 Cb 0.14 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3nnk h GLU 78 CO 0.03 0.74 0.28 0.00 -0.73 0.00 0.00 179.01 179.33 3nnk h ALA 79 N 1.17 0.68 -0.26 2.92 0.00 -1.00 -0.43 119.26 122.33 3nnk h ALA 79 Ca 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3nnk h ALA 79 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3nnk h ALA 79 CO -0.03 -0.06 -0.01 0.82 0.00 0.00 0.00 179.25 179.97 3nnk h ILE 80 N 0.54 1.26 -0.12 0.00 2.04 -1.13 -2.62 117.51 117.48 3nnk h ILE 80 Ca 0.23 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 3nnk h ILE 80 Cb 0.12 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3nnk h ILE 80 CO -0.15 0.29 -0.12 -0.07 0.00 0.00 0.00 178.15 178.10 3nnk h LEU 81 N 0.23 0.32 -1.69 1.44 3.38 -1.13 -1.60 115.31 116.26 3nnk h LEU 81 Ca 0.07 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3nnk h LEU 81 Cb 0.43 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3nnk h LEU 81 CO 0.01 0.73 0.20 0.58 0.09 0.00 0.00 178.44 180.06 3nnk h VAL 82 N -0.10 1.08 0.00 1.22 2.07 -1.16 0.30 116.25 119.67 3nnk h VAL 82 Ca 0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3nnk h VAL 82 Cb 0.65 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3nnk h VAL 82 CO 0.03 0.08 -0.24 0.28 0.02 0.00 0.00 177.57 177.74 3nnk h SER 83 N 0.42 0.00 0.00 0.57 0.02 -1.36 -3.35 113.55 109.84 3nnk h SER 83 Ca 0.11 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 3nnk h SER 83 Cb -0.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3nnk h SER 83 CO -0.02 0.03 -1.76 0.00 -1.14 0.00 0.00 176.83 173.93 3nnk n ALA 84 N -1.90 2.23 -2.73 3.77 0.00 -0.61 -4.59 120.51 116.69 3nnk n ALA 84 Ca 0.04 -0.54 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 3nnk n ALA 84 Cb 0.47 -0.34 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.77 4.98 0.37 0.00 1.01 0.97 -5.05 121.20 120.71 3nnk s ILE 85 Ca -0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 3nnk s ILE 85 Cb 0.07 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.05 3nnk s ILE 85 CO 0.59 0.20 0.76 -0.13 0.00 0.00 0.00 174.94 176.36 3nnk s ARG 86 N 1.70 3.88 0.21 2.79 3.00 -1.26 -4.79 118.95 124.48 3nnk s ARG 86 Ca 0.06 0.58 -0.32 0.00 0.00 0.00 0.00 55.73 56.05 3nnk s ARG 86 Cb -0.16 -2.40 -0.12 0.00 0.00 0.00 0.00 34.95 32.26 3nnk s ARG 86 CO 0.09 0.04 1.67 -2.30 0.00 0.00 0.00 175.30 174.80 3nnk n PRO 87 N -0.89 2.62 0.00 3.54 -0.02 -1.26 -2.07 135.00 136.92 3nnk n PRO 87 Ca 0.03 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3nnk n PRO 87 Cb 0.54 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3nnk n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nnk n GLY 88 N 3.57 1.84 3.75 -1.23 0.00 0.32 -5.01 105.19 108.43 3nnk n GLY 88 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.51 5.29 0.07 1.61 1.01 -0.88 -4.48 116.67 117.78 3nnk s ASP 89 Ca 0.00 2.68 -0.21 0.00 0.71 0.00 0.00 52.55 55.73 3nnk s ASP 89 Cb 0.00 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 3nnk s ASP 89 CO 0.00 -1.55 0.62 -0.54 0.21 0.00 0.00 175.17 173.91 3nnk s LYS 90 N -2.96 4.31 -0.00 8.23 1.02 -1.26 -0.28 119.74 128.79 3nnk s LYS 90 Ca 0.72 0.83 0.02 0.00 0.02 0.00 0.00 55.97 57.56 3nnk s LYS 90 Cb -0.38 -3.27 -0.00 0.00 -0.52 0.00 0.00 37.83 33.65 3nnk s LYS 90 CO 0.45 0.55 -0.05 0.08 -0.92 0.00 0.00 175.35 175.45 3nnk s VAL 91 N -0.86 0.40 -0.16 3.17 1.01 -0.36 -1.52 120.40 122.09 3nnk s VAL 91 Ca 0.31 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3nnk s VAL 91 Cb -0.20 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.84 3nnk s VAL 91 CO 0.20 0.12 -0.18 -0.22 0.00 0.00 0.00 175.10 175.02 3nnk s LEU 92 N -0.09 2.31 -0.26 3.92 2.96 -0.50 0.14 118.68 127.15 3nnk s LEU 92 Ca 0.02 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 3nnk s LEU 92 Cb -0.02 -1.52 0.06 0.00 0.50 0.00 0.00 46.19 45.22 3nnk s LEU 92 CO -0.00 0.06 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.32 3nnk s VAL 93 N 0.92 2.06 -0.60 1.68 1.01 0.66 -0.98 120.40 125.16 3nnk s VAL 93 Ca -0.04 -1.64 -0.27 0.00 0.00 0.00 0.00 61.98 60.03 3nnk s VAL 93 Cb -0.15 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 3nnk s VAL 93 CO -0.03 -0.11 1.63 -2.84 0.00 0.00 0.00 175.10 173.76 3nnk s PRO 94 N 1.13 2.96 -0.27 2.72 0.02 -1.25 -2.43 135.00 137.88 3nnk s PRO 94 Ca -0.06 0.47 -0.22 0.00 0.02 0.00 0.00 61.00 61.21 3nnk s PRO 94 Cb -0.20 -4.27 -0.01 0.00 0.02 0.00 0.00 34.50 30.05 3nnk s PRO 94 CO -0.06 -2.35 0.70 0.08 -0.33 0.00 0.00 177.00 175.04 3nnk s VAL 95 N 7.51 4.91 -0.01 3.83 1.01 0.92 -4.74 120.40 133.83 3nnk s VAL 95 Ca 0.58 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.73 3nnk s VAL 95 Cb -0.12 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.26 3nnk s VAL 95 CO 0.22 -0.09 0.75 2.22 0.00 0.00 0.00 175.10 178.20 3nnk n PHE 96 N 5.90 0.00 -3.94 5.22 1.16 -1.26 -2.65 117.46 121.90 3nnk n PHE 96 Ca 0.01 -0.19 0.00 0.00 -1.87 0.00 0.00 57.45 55.41 3nnk n PHE 96 Cb 0.48 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.33 3nnk n PHE 96 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3nnk n GLY 97 N -0.22 0.47 0.25 4.97 0.00 -1.26 -4.63 105.19 104.76 3nnk n GLY 97 Ca 0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 0.67 0.00 1.61 1.12 -1.95 -1.68 114.38 114.15 3nnk h ARG 98 Ca -0.02 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 3nnk h ARG 98 Cb 0.11 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 29.92 3nnk h ARG 98 CO 0.03 0.44 0.00 1.19 -3.11 0.00 0.00 179.97 178.52 3nnk n PHE 99 N -4.77 0.14 -0.21 2.20 3.72 -1.26 -1.57 117.46 115.71 3nnk n PHE 99 Ca 0.07 0.05 -0.09 0.00 -0.05 0.00 0.00 57.45 57.43 3nnk n PHE 99 Cb 0.13 -0.57 0.04 0.00 -0.94 0.00 0.00 39.48 38.13 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 4.15 1.15 2.00 1.37 0.00 -1.65 -2.95 103.07 107.13 3nnk h GLY 100 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 47.33 46.40 3nnk h GLY 100 CO 0.00 0.77 -0.46 0.45 0.00 0.00 0.00 176.54 177.29 3nnk h HIS 101 N 0.97 0.00 -0.48 5.60 3.86 -1.19 -3.13 115.15 120.78 3nnk h HIS 101 Ca 0.17 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3nnk h HIS 101 Cb 0.55 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 3nnk h HIS 101 CO 0.04 0.46 0.11 1.25 0.86 0.00 0.00 177.93 180.65 3nnk h LEU 102 N 0.00 0.74 -1.28 2.43 5.85 -1.36 -2.51 115.31 119.17 3nnk h LEU 102 Ca -0.00 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 3nnk h LEU 102 Cb 0.95 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3nnk h LEU 102 CO 0.06 0.78 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.84 3nnk h LEU 103 N 0.66 0.41 -0.20 2.25 3.38 -1.49 -1.68 115.31 118.63 3nnk h LEU 103 Ca 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3nnk h LEU 103 Cb 0.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3nnk h LEU 103 CO 0.00 0.51 0.08 0.00 0.09 0.00 0.00 178.44 179.12 3nnk h GLU 105 N 0.17 0.65 -0.48 0.00 4.39 -1.23 0.93 114.58 119.02 3nnk h GLU 105 Ca 0.07 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.52 3nnk h GLU 105 Cb 0.20 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3nnk h GLU 105 CO -0.00 0.82 0.31 0.82 -1.16 0.00 0.00 179.01 179.80 3nnk h ILE 106 N 0.43 1.11 -0.62 3.13 2.04 -1.36 -1.58 117.51 120.67 3nnk h ILE 106 Ca 0.08 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3nnk h ILE 106 Cb 0.59 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3nnk h ILE 106 CO 0.03 0.11 0.40 0.00 0.00 0.00 0.00 178.15 178.70 3nnk h ALA 107 N 1.18 0.79 -0.99 1.87 0.00 -1.19 -2.61 119.26 118.31 3nnk h ALA 107 Ca 0.18 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3nnk h ALA 107 Cb -0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 3nnk h ALA 107 CO -0.05 0.18 0.64 -0.09 0.00 0.00 0.00 179.25 179.92 3nnk h ARG 108 N 0.80 1.12 0.00 0.00 2.43 -0.36 -1.20 114.38 117.18 3nnk h ARG 108 Ca 0.23 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3nnk h ARG 108 Cb -0.05 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 3nnk h ARG 108 CO -0.07 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.13 3nnk h ARG 109 N 1.16 0.00 -0.15 0.20 2.47 -0.96 -1.13 114.38 115.96 3nnk h ARG 109 Ca 0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 3nnk h ARG 109 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3nnk h ARG 109 CO -0.17 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.36 3nnk n ARG 111 N 0.02 -6.88 -3.58 0.00 1.74 -0.43 -4.11 116.66 103.42 3nnk n ARG 111 Ca 0.12 0.74 -0.32 0.00 -0.77 0.00 0.00 57.85 57.63 3nnk n ARG 111 Cb 0.22 -5.71 -0.05 0.00 -1.02 0.00 0.00 32.46 25.90 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 -3.34 3.71 -0.54 7.54 0.00 -1.00 -0.52 121.76 127.60 3nnk s ALA 112 Ca 0.52 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 3nnk s ALA 112 Cb -0.24 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.68 3nnk s ALA 112 CO 0.77 0.61 1.10 -2.00 0.00 0.00 0.00 175.76 176.24 3nnk s GLU 113 N -2.72 3.51 -0.30 0.00 2.12 0.62 -4.58 118.70 117.34 3nnk s GLU 113 Ca 0.43 0.18 -0.20 0.00 0.36 0.00 0.00 54.97 55.74 3nnk s GLU 113 Cb -0.12 -4.00 -0.01 0.00 0.26 0.00 0.00 34.13 30.27 3nnk s GLU 113 CO 0.23 -1.54 0.63 0.08 -0.54 0.00 0.00 175.26 174.12 3nnk s VAL 114 N 4.53 4.94 -0.04 3.70 1.01 -1.26 -1.22 120.40 132.06 3nnk s VAL 114 Ca 0.40 0.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.24 3nnk s VAL 114 Cb -0.09 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3nnk s VAL 114 CO 0.25 -0.13 0.03 -1.00 0.00 0.00 0.00 175.10 174.24 3nnk s HIS 115 N 2.60 3.18 0.02 5.22 3.76 0.12 -4.98 115.29 125.21 3nnk s HIS 115 Ca 0.25 0.17 -0.03 0.00 -0.15 0.00 0.00 55.06 55.30 3nnk s HIS 115 Cb -0.15 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 3nnk s HIS 115 CO 0.12 0.50 0.03 0.95 -0.85 0.00 0.00 174.74 175.48 3nnk s THR 116 N -1.04 0.11 0.16 1.30 -4.23 -1.26 -0.24 115.64 110.44 3nnk s THR 116 Ca 0.18 -0.94 0.09 0.00 -1.18 0.00 0.00 61.69 59.84 3nnk s THR 116 Cb -0.12 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.21 3nnk s THR 116 CO 0.08 -0.52 -0.20 0.27 -0.54 0.00 0.00 174.62 173.71 3nnk s ILE 117 N -1.76 1.95 -0.04 2.99 -4.36 -1.02 -4.95 121.20 114.02 3nnk s ILE 117 Ca -0.13 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.40 3nnk s ILE 117 Cb -0.07 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.78 3nnk s ILE 117 CO -0.01 -0.21 -0.06 -1.61 0.24 0.00 0.00 174.94 173.29 3nnk s GLU 118 N -2.60 0.85 0.13 0.37 2.02 -1.26 -0.06 118.70 118.16 3nnk s GLU 118 Ca 0.15 -0.18 0.09 0.00 0.02 0.00 0.00 54.97 55.06 3nnk s GLU 118 Cb -0.07 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.30 3nnk s GLU 118 CO 0.07 -0.00 -0.18 0.14 0.02 0.00 0.00 175.26 175.31 3nnk s VAL 119 N 0.59 2.83 0.76 2.63 -7.23 -1.08 -5.03 120.40 113.88 3nnk s VAL 119 Ca -0.08 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 3nnk s VAL 119 Cb -0.12 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.56 3nnk s VAL 119 CO 0.00 0.06 1.10 -2.16 -0.31 0.00 0.00 175.10 173.79 3nnk s PRO 120 N -2.27 2.26 -0.07 4.82 0.04 -1.26 -4.57 135.00 133.95 3nnk s PRO 120 Ca 0.19 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 3nnk s PRO 120 Cb -0.10 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3nnk s PRO 120 CO 0.11 -1.65 1.44 -1.58 0.04 0.00 0.00 177.00 175.36 3nnk s TRP 121 N -2.75 2.54 -0.45 0.56 0.52 -1.26 0.50 118.94 118.60 3nnk s TRP 121 Ca 0.63 0.66 0.02 0.00 0.02 0.00 0.00 56.10 57.43 3nnk s TRP 121 Cb -0.19 -3.70 0.13 0.00 -1.15 0.00 0.00 33.47 28.56 3nnk s TRP 121 CO 0.53 -2.70 0.23 0.20 0.02 0.00 0.00 176.95 175.23 3nnk s GLY 122 N 2.43 1.85 0.35 0.98 0.00 -1.26 -4.96 107.32 106.71 3nnk s GLY 122 Ca 0.64 -2.71 0.05 0.00 0.00 0.00 0.00 44.72 42.69 3nnk s GLY 122 CO 0.24 1.38 0.38 1.18 0.00 0.00 0.00 173.10 176.27 3nnk n GLU 123 N 3.55 0.86 -4.27 2.90 1.02 0.18 -2.84 120.64 122.05 3nnk n GLU 123 Ca 0.07 -2.05 -0.17 0.00 -0.02 0.00 0.00 57.16 54.99 3nnk n GLU 123 Cb 0.35 0.03 -0.10 0.00 -0.02 0.00 0.00 31.44 31.70 3nnk n GLU 123 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3nnk s VAL 124 N -1.47 1.37 0.41 2.62 0.11 -1.26 -4.92 120.40 117.26 3nnk s VAL 124 Ca 0.29 -1.97 -0.18 0.00 -2.93 0.00 0.00 61.98 57.19 3nnk s VAL 124 Cb -0.02 -1.78 -0.10 0.00 -1.53 0.00 0.00 36.38 32.95 3nnk s VAL 124 CO 0.18 -0.59 0.88 -0.36 -3.33 0.00 0.00 175.10 171.89 3nnk s PHE 125 N -2.80 3.36 0.13 1.54 0.08 -1.26 -5.01 117.98 114.02 3nnk s PHE 125 Ca 0.15 1.44 -0.12 0.00 0.12 0.00 0.00 56.93 58.53 3nnk s PHE 125 Cb -0.01 -2.72 -0.06 0.00 -0.57 0.00 0.00 43.02 39.65 3nnk s PHE 125 CO 0.03 -0.09 0.48 0.99 -0.10 0.00 0.00 175.22 176.53 3nnk s THR 126 N -2.20 4.97 0.48 0.64 2.01 -1.26 -4.84 115.64 115.44 3nnk s THR 126 Ca 0.59 0.60 0.19 0.00 0.31 0.00 0.00 61.69 63.38 3nnk s THR 126 Cb -0.10 -3.68 0.36 0.00 0.01 0.00 0.00 72.50 69.09 3nnk s THR 126 CO 0.18 0.22 2.00 -0.65 -0.69 0.00 0.00 174.62 175.68 3nnk h PRO 127 N 3.48 0.19 -0.21 4.92 0.11 -1.96 -1.91 132.00 136.61 3nnk h PRO 127 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3nnk h PRO 127 Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3nnk h PRO 127 CO 0.67 0.12 0.10 -0.44 -0.21 0.00 0.00 178.00 178.24 3nnk h ASP 128 N 0.19 0.28 -0.95 -2.05 5.19 -1.99 -1.39 116.42 115.70 3nnk h ASP 128 Ca 0.25 -0.12 0.05 0.00 -0.62 0.00 0.00 57.03 56.59 3nnk h ASP 128 Cb 0.73 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 40.11 3nnk h ASP 128 CO -0.04 0.32 0.61 1.56 -3.12 0.00 0.00 179.24 178.57 3nnk h GLN 129 N 0.22 1.12 0.01 3.56 4.20 -1.75 -0.98 115.11 121.47 3nnk h GLN 129 Ca 0.07 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.52 3nnk h GLN 129 Cb 0.11 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3nnk h GLN 129 CO -0.01 0.74 -0.93 -0.39 -0.67 0.00 0.00 178.83 177.57 3nnk h VAL 130 N 1.15 1.64 -0.44 -0.54 -1.51 -1.45 -3.11 116.25 111.98 3nnk h VAL 130 Ca 0.40 -3.09 -0.13 0.00 -1.23 0.00 0.00 66.70 62.64 3nnk h VAL 130 Cb 0.09 2.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 3nnk h VAL 130 CO -0.15 0.89 -0.24 -0.08 -1.23 0.00 0.00 177.57 176.75 3nnk h GLU 131 N 0.01 0.92 -0.52 5.19 4.81 -0.71 -0.16 114.58 124.14 3nnk h GLU 131 Ca -0.02 -0.40 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3nnk h GLU 131 Cb 1.63 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.95 3nnk h GLU 131 CO 0.13 1.06 0.32 -0.44 -0.73 0.00 0.00 179.01 179.35 3nnk h ASP 132 N 0.79 0.53 -0.32 1.04 3.45 -1.26 -0.00 116.42 120.65 3nnk h ASP 132 Ca 0.10 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.47 3nnk h ASP 132 Cb 0.81 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 3nnk h ASP 132 CO 0.07 0.38 -0.16 0.00 -1.57 0.00 0.00 179.24 177.96 3nnk h ALA 133 N 1.22 0.45 -0.38 3.45 0.00 -1.45 -0.55 119.26 122.00 3nnk h ALA 133 Ca 0.20 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3nnk h ALA 133 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3nnk h ALA 133 CO -0.08 0.36 0.19 0.28 0.00 0.00 0.00 179.25 180.01 3nnk h VAL 134 N 0.44 0.99 -0.38 0.00 2.07 -0.87 -0.46 116.25 118.03 3nnk h VAL 134 Ca 0.07 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.52 3nnk h VAL 134 Cb 0.69 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3nnk h VAL 134 CO 0.05 0.07 0.04 0.11 0.02 0.00 0.00 177.57 177.86 3nnk h LYS 135 N 0.39 0.14 0.62 1.57 1.57 -0.90 -0.69 116.57 119.28 3nnk h LYS 135 Ca 0.16 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3nnk h LYS 135 Cb 0.06 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.35 3nnk h LYS 135 CO -0.11 0.10 -0.30 0.00 -0.57 0.00 0.00 179.45 178.57 3nnk h ARG 136 N 0.15 -0.81 -0.01 3.15 3.08 -0.39 -3.35 114.38 116.20 3nnk h ARG 136 Ca 0.19 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3nnk h ARG 136 Cb 0.24 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3nnk h ARG 136 CO -0.28 -0.50 -0.55 0.44 -1.07 0.00 0.00 179.97 178.01 3nnk n ILE 137 N -5.41 0.00 -3.47 2.04 -0.00 -0.25 -5.04 119.36 107.24 3nnk n ILE 137 Ca -0.13 -0.23 -0.23 0.00 -0.00 0.00 0.00 62.75 62.17 3nnk n ILE 137 Cb 0.36 1.16 0.01 0.00 -0.00 0.00 0.00 39.64 41.17 3nnk n ILE 137 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3nnk n ARG 138 N -0.48 -1.73 -1.99 6.28 3.00 -0.26 -4.94 116.66 116.53 3nnk n ARG 138 Ca 0.07 1.25 -0.31 0.00 -0.01 0.00 0.00 57.85 58.84 3nnk n ARG 138 Cb 0.37 -3.21 0.00 0.00 0.00 0.00 0.00 32.46 29.62 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 -3.60 3.62 0.02 5.56 0.04 -1.26 -4.92 135.00 134.46 3nnk s PRO 139 Ca 0.15 0.85 0.02 0.00 0.04 0.00 0.00 61.00 62.05 3nnk s PRO 139 Cb -0.02 -2.08 -0.25 0.00 0.04 0.00 0.00 34.50 32.18 3nnk s PRO 139 CO 0.85 -0.55 0.90 -0.09 0.04 0.00 0.00 177.00 178.15 3nnk h ARG 140 N 0.02 0.15 -5.30 4.56 2.43 -1.64 -3.43 114.38 111.17 3nnk h ARG 140 Ca -0.45 -0.26 -0.51 0.00 -0.81 0.00 0.00 59.98 57.95 3nnk h ARG 140 Cb 1.19 0.10 -0.30 0.00 -0.42 0.00 0.00 29.97 30.54 3nnk h ARG 140 CO 0.61 0.98 -0.82 -0.51 -1.51 0.00 0.00 179.97 178.72 3nnk s LEU 141 N -6.76 1.97 -0.30 3.80 2.01 -1.24 -1.55 118.68 116.62 3nnk s LEU 141 Ca -0.06 -0.28 -0.09 0.00 0.01 0.00 0.00 54.13 53.71 3nnk s LEU 141 Cb 0.08 -0.80 -0.01 0.00 0.01 0.00 0.00 46.19 45.47 3nnk s LEU 141 CO 0.84 0.16 0.12 -0.22 1.01 0.00 0.00 176.35 178.27 3nnk s LEU 142 N -0.19 3.95 -0.39 1.79 2.96 0.66 -1.41 118.68 126.04 3nnk s LEU 142 Ca 0.02 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.34 3nnk s LEU 142 Cb -0.08 -1.96 0.07 0.00 0.50 0.00 0.00 46.19 44.73 3nnk s LEU 142 CO 0.00 -0.17 0.19 -0.76 -1.32 0.00 0.00 176.35 174.29 3nnk s LEU 143 N 1.58 4.87 0.08 -0.68 1.43 -0.15 -1.70 118.68 124.12 3nnk s LEU 143 Ca 0.04 -1.50 0.06 0.00 -1.03 0.00 0.00 54.13 51.70 3nnk s LEU 143 Cb -0.17 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3nnk s LEU 143 CO 0.05 -0.47 -0.10 0.42 0.23 0.00 0.00 176.35 176.49 3nnk s THR 144 N 1.35 3.40 -0.14 5.49 -4.23 -0.75 -3.91 115.64 116.86 3nnk s THR 144 Ca 0.02 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.25 3nnk s THR 144 Cb -0.22 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 3nnk s THR 144 CO 0.01 0.17 0.21 -0.69 -0.54 0.00 0.00 174.62 173.78 3nnk s VAL 145 N -1.17 5.37 -0.04 2.29 1.01 -1.26 0.11 120.40 126.71 3nnk s VAL 145 Ca 0.20 0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 3nnk s VAL 145 Cb -0.11 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 3nnk s VAL 145 CO 0.12 0.51 -0.00 -0.61 0.00 0.00 0.00 175.10 175.12 3nnk h GLN 146 N 5.85 0.00 -4.98 2.72 4.15 -1.27 -3.41 115.11 118.17 3nnk h GLN 146 Ca -0.47 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.29 3nnk h GLN 146 Cb 1.19 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.62 3nnk h GLN 146 CO 0.68 0.00 -0.69 0.20 -1.93 0.00 0.00 178.83 177.09 3nnk s GLY 147 N -2.63 1.66 -0.35 2.39 0.00 -1.26 -0.27 107.32 106.87 3nnk s GLY 147 Ca -0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 44.72 43.46 3nnk s GLY 147 CO 0.00 0.47 0.17 -0.35 0.00 0.00 0.00 173.10 173.39 3nnk s ASP 148 N 1.52 5.59 0.51 1.64 -1.08 -0.92 -4.50 116.67 119.43 3nnk s ASP 148 Ca 0.06 -0.88 0.27 0.00 -0.52 0.00 0.00 52.55 51.48 3nnk s ASP 148 Cb -0.15 -1.99 1.37 0.00 -1.46 0.00 0.00 42.92 40.69 3nnk s ASP 148 CO -0.01 -0.32 2.03 0.71 0.52 0.00 0.00 175.17 178.10 3nnk h THR 149 N 5.86 0.53 0.00 1.71 1.35 -1.94 0.22 112.91 120.63 3nnk h THR 149 Ca -0.27 -0.64 -0.05 0.00 -0.55 0.00 0.00 66.41 64.90 3nnk h THR 149 Cb 1.11 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 3nnk h THR 149 CO 0.64 0.13 -0.22 0.77 -0.25 0.00 0.00 175.52 176.60 3nnk h SER 150 N 0.00 0.00 0.00 5.36 4.64 -1.98 -3.23 113.55 118.34 3nnk h SER 150 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nnk h SER 150 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3nnk h SER 150 CO 0.02 0.22 -0.93 0.35 -0.87 0.00 0.00 176.83 175.61 3nnk n THR 151 N -3.72 0.00 -1.15 2.95 -2.24 -1.03 -4.98 114.28 104.12 3nnk n THR 151 Ca -0.01 -0.12 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 3nnk n THR 151 Cb 0.33 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.49 0.00 -3.46 4.28 -2.24 0.73 -4.73 114.28 107.37 3nnk n THR 152 Ca -0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 3nnk n THR 152 Cb 0.06 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 3nnk n THR 152 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 153 N -1.91 3.86 -0.31 -0.78 -1.94 -1.20 -0.77 119.30 116.25 3nnk s MET 153 Ca 0.00 0.32 -0.01 0.00 -1.71 0.00 0.00 55.69 54.29 3nnk s MET 153 Cb 0.00 -2.91 0.06 0.00 2.01 0.00 0.00 34.83 33.99 3nnk s MET 153 CO 0.00 0.48 0.01 -1.17 -0.01 0.00 0.00 175.02 174.34 3nnk s LEU 154 N -2.10 4.02 -0.10 -0.03 1.98 0.86 -2.17 118.68 121.14 3nnk s LEU 154 Ca 0.38 -1.37 -0.30 0.00 -2.89 0.00 0.00 54.13 49.95 3nnk s LEU 154 Cb -0.14 -1.71 -0.03 0.00 0.66 0.00 0.00 46.19 44.97 3nnk s LEU 154 CO 0.19 -0.29 1.32 -1.58 -1.89 0.00 0.00 176.35 174.11 3nnk s GLN 155 N 1.22 4.26 0.16 1.98 2.00 0.63 -4.85 119.66 125.07 3nnk s GLN 155 Ca -0.04 1.79 -0.31 0.00 -2.00 0.00 0.00 55.36 54.80 3nnk s GLN 155 Cb -0.20 -3.71 -0.09 0.00 0.80 0.00 0.00 33.01 29.81 3nnk s GLN 155 CO -0.02 -0.64 1.43 -2.14 -0.50 0.00 0.00 175.29 173.43 3nnk s PRO 156 N 3.07 4.29 0.00 1.67 0.02 -1.26 -4.80 135.00 137.99 3nnk s PRO 156 Ca 0.59 2.18 0.05 0.00 0.02 0.00 0.00 61.00 63.84 3nnk s PRO 156 Cb -0.26 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.04 3nnk s PRO 156 CO 0.20 -0.45 0.30 1.28 -0.33 0.00 0.00 177.00 178.00 3nnk n LEU 157 N 3.53 0.48 -0.33 -5.54 4.32 -1.26 -4.71 117.00 113.50 3nnk n LEU 157 Ca 0.11 -0.61 -0.04 0.00 -0.02 0.00 0.00 56.01 55.44 3nnk n LEU 157 Cb 0.41 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.29 3nnk n LEU 157 CO 0.59 0.11 1.15 0.00 -1.22 0.00 0.00 177.39 178.02 3nnk h ALA 158 N 0.74 1.13 0.00 -1.18 0.00 -1.91 -2.72 119.26 115.31 3nnk h ALA 158 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 158 Cb 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3nnk h ALA 158 CO 0.00 0.66 -0.60 0.93 0.00 0.00 0.00 179.25 180.24 3nnk h GLU 159 N 1.24 0.00 0.00 0.00 5.08 -1.93 -3.34 114.58 115.63 3nnk h GLU 159 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3nnk h GLU 159 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3nnk h GLU 159 CO -0.04 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.90 3nnk h LEU 160 N 0.00 0.00 -0.16 1.33 4.07 -1.76 -3.21 115.31 115.58 3nnk h LEU 160 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 3nnk h LEU 160 Cb 0.82 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.56 3nnk h LEU 160 CO 0.00 0.00 -0.47 1.23 -1.08 0.00 0.00 178.44 178.12 3nnk h GLY 161 N 3.39 0.65 1.08 0.83 0.00 -1.63 -2.68 103.07 104.71 3nnk h GLY 161 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 3nnk h GLY 161 CO 0.00 0.75 0.50 0.83 0.00 0.00 0.00 176.54 178.63 3nnk h GLU 162 N 0.24 1.21 -0.57 4.80 4.39 -1.79 -0.94 114.58 121.94 3nnk h GLU 162 Ca -0.01 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 3nnk h GLU 162 Cb 1.09 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 3nnk h GLU 162 CO 0.10 0.87 0.26 0.82 -1.16 0.00 0.00 179.01 179.90 3nnk h ILE 163 N 1.22 1.21 -0.44 3.13 2.04 -1.59 -0.54 117.51 122.55 3nnk h ILE 163 Ca 0.31 -0.61 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 3nnk h ILE 163 Cb -0.01 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3nnk h ILE 163 CO -0.05 0.24 -0.24 0.00 0.00 0.00 0.00 178.15 178.10 3nnk h ARG 165 N 0.78 0.48 -0.23 0.00 2.43 -1.00 0.33 114.38 117.17 3nnk h ARG 165 Ca 0.10 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3nnk h ARG 165 Cb 0.79 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3nnk h ARG 165 CO 0.07 0.50 -0.05 0.00 -1.51 0.00 0.00 179.97 178.98 3nnk h ARG 166 N 0.36 0.36 -0.42 0.20 3.08 -1.04 -2.92 114.38 113.99 3nnk h ARG 166 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3nnk h ARG 166 Cb 0.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3nnk h ARG 166 CO -0.01 0.43 0.00 0.66 -1.07 0.00 0.00 179.97 179.98 3nnk n TYR 167 N -4.30 0.67 -3.81 3.04 4.01 -0.93 -4.99 117.16 110.85 3nnk n TYR 167 Ca 0.00 -0.55 -0.25 0.00 -0.16 0.00 0.00 57.90 56.95 3nnk n TYR 167 Cb 0.24 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 3nnk n TYR 167 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3nnk n ASP 168 N 0.62 -1.44 -4.52 7.72 4.64 0.03 -4.99 116.55 118.62 3nnk n ASP 168 Ca 0.16 -0.94 -0.33 0.00 -1.38 0.00 0.00 54.79 52.30 3nnk n ASP 168 Cb 0.54 -3.50 -0.12 0.00 -1.04 0.00 0.00 41.12 37.00 3nnk n ASP 168 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3nnk s ALA 169 N -3.78 2.87 0.10 -1.67 0.00 0.95 -4.95 121.76 115.29 3nnk s ALA 169 Ca 0.08 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 3nnk s ALA 169 Cb -0.03 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 3nnk s ALA 169 CO 0.85 0.46 1.20 -0.51 0.00 0.00 0.00 175.76 177.77 3nnk s LEU 170 N -0.43 4.40 -0.36 0.00 1.43 -0.59 -4.51 118.68 118.61 3nnk s LEU 170 Ca 0.06 2.08 -0.05 0.00 -1.03 0.00 0.00 54.13 55.19 3nnk s LEU 170 Cb -0.12 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.58 3nnk s LEU 170 CO 0.02 -0.44 0.13 0.12 0.23 0.00 0.00 176.35 176.41 3nnk s PHE 171 N 0.73 3.35 0.12 0.29 5.36 -1.26 -0.24 117.98 126.31 3nnk s PHE 171 Ca 0.57 -1.77 0.07 0.00 -0.96 0.00 0.00 56.93 54.84 3nnk s PHE 171 Cb -0.30 -2.57 -0.04 0.00 -0.34 0.00 0.00 43.02 39.77 3nnk s PHE 171 CO 0.31 -0.82 -0.09 -0.47 -1.46 0.00 0.00 175.22 172.69 3nnk s TYR 172 N 1.31 2.75 0.02 10.12 6.14 -0.69 0.45 117.35 137.45 3nnk s TYR 172 Ca 0.00 -0.15 0.01 0.00 0.64 0.00 0.00 57.07 57.57 3nnk s TYR 172 Cb -0.21 -1.42 -0.02 0.00 0.42 0.00 0.00 41.96 40.74 3nnk s TYR 172 CO 0.00 0.44 -0.05 -0.08 0.64 0.00 0.00 175.55 176.51 3nnk s THR 173 N -1.30 0.30 -0.50 4.34 -1.32 -0.69 -1.80 115.64 114.68 3nnk s THR 173 Ca 0.22 -0.70 -0.20 0.00 -1.21 0.00 0.00 61.69 59.80 3nnk s THR 173 Cb -0.11 -0.36 0.05 0.00 -1.51 0.00 0.00 72.50 70.57 3nnk s THR 173 CO 0.14 -0.27 0.64 -0.62 -2.21 0.00 0.00 174.62 172.31 3nnk s ASP 174 N -1.03 6.24 -0.20 8.08 2.15 0.30 -2.95 116.67 129.27 3nnk s ASP 174 Ca -0.08 -0.78 0.13 0.00 0.43 0.00 0.00 52.55 52.26 3nnk s ASP 174 Cb -0.07 -2.30 0.41 0.00 -0.30 0.00 0.00 42.92 40.66 3nnk s ASP 174 CO -0.00 -0.89 1.28 0.00 -0.17 0.00 0.00 175.17 175.39 3nnk n ALA 175 N 6.26 3.34 0.27 3.66 0.00 -0.57 -0.78 120.51 132.69 3nnk n ALA 175 Ca -0.05 -2.97 0.14 0.00 0.00 0.00 0.00 53.44 50.56 3nnk n ALA 175 Cb 0.46 -0.48 0.75 0.00 0.00 0.00 0.00 19.45 20.17 3nnk n ALA 175 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3nnk h THR 176 N 0.80 0.44 0.00 0.00 1.35 -1.84 -2.30 112.91 111.36 3nnk h THR 176 Ca 0.05 -0.53 -0.07 0.00 -0.55 0.00 0.00 66.41 65.31 3nnk h THR 176 Cb 1.19 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 3nnk h THR 176 CO 0.11 0.10 -1.67 0.00 -0.25 0.00 0.00 175.52 173.81 3nnk n ALA 177 N -2.23 2.45 -0.03 6.62 0.00 -1.26 -4.37 120.51 121.68 3nnk n ALA 177 Ca -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 3nnk n ALA 177 Cb 0.25 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 3nnk n ALA 177 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3nnk n SER 178 N -2.53 3.08 -4.66 0.00 3.41 -1.17 -4.72 113.62 107.04 3nnk n SER 178 Ca -0.07 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 58.05 3nnk n SER 178 Cb 0.67 0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 65.38 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 -2.21 2.80 0.00 1.04 7.94 -0.88 -0.49 117.00 125.21 3nnk n LEU 179 Ca -0.11 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 3nnk n LEU 179 Cb 0.66 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.28 3nnk n LEU 179 CO 0.17 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 176.65 3nnk n GLY 180 N 3.51 3.23 0.00 -3.96 0.00 -1.26 -4.42 105.19 102.29 3nnk n GLY 180 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 3nnk n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 181 N -1.79 -0.11 3.07 -0.02 0.00 -0.01 -3.82 105.19 102.52 3nnk n GLY 181 Ca 0.00 -0.22 -0.10 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 -2.42 0.16 0.20 1.61 0.01 0.35 -4.61 114.94 110.24 3nnk s ASN 182 Ca -0.00 -0.43 -0.33 0.00 -0.71 0.00 0.00 52.86 51.40 3nnk s ASN 182 Cb 0.06 0.18 -0.13 0.00 0.41 0.00 0.00 41.25 41.77 3nnk s ASN 182 CO 0.35 -0.40 1.67 -2.65 -1.51 0.00 0.00 177.10 174.56 3nnk n PRO 183 N 1.24 2.57 -3.48 -0.60 -0.02 -1.26 -4.63 135.00 128.82 3nnk n PRO 183 Ca -0.22 0.93 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 3nnk n PRO 183 Cb 0.56 -2.75 -0.12 0.00 -0.02 0.00 0.00 33.50 31.18 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 1.00 -0.10 -0.69 2.45 2.96 -1.26 -5.03 118.68 118.02 3nnk s LEU 184 Ca 0.76 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 3nnk s LEU 184 Cb -0.56 0.37 0.18 0.00 0.50 0.00 0.00 46.19 46.68 3nnk s LEU 184 CO 0.35 -0.34 0.56 -1.61 -1.32 0.00 0.00 176.35 173.98 3nnk s GLU 185 N 2.32 2.95 0.08 1.98 0.41 -1.26 -4.53 118.70 120.65 3nnk s GLU 185 Ca 0.07 -2.43 -0.32 0.00 -0.41 0.00 0.00 54.97 51.89 3nnk s GLU 185 Cb -0.15 -4.02 -0.17 0.00 -1.78 0.00 0.00 34.13 28.01 3nnk s GLU 185 CO -0.17 -1.22 1.63 1.15 -0.49 0.00 0.00 175.26 176.15 3nnk h THR 186 N 5.18 0.33 -0.22 3.63 2.02 -1.58 0.98 112.91 123.25 3nnk h THR 186 Ca 0.01 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.01 3nnk h THR 186 Cb 1.00 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3nnk h THR 186 CO 0.75 0.00 -0.56 0.44 0.37 0.00 0.00 175.52 176.51 3nnk h ASP 187 N -0.83 0.88 0.17 4.18 3.32 -1.84 -0.82 116.42 121.48 3nnk h ASP 187 Ca -0.07 -0.57 -0.05 0.00 0.02 0.00 0.00 57.03 56.36 3nnk h ASP 187 Cb 0.67 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3nnk h ASP 187 CO 0.08 1.29 -0.21 0.58 -1.72 0.00 0.00 179.24 179.26 3nnk h VAL 188 N 0.51 1.17 -0.61 -1.35 2.07 -1.81 -2.48 116.25 113.75 3nnk h VAL 188 Ca -0.01 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3nnk h VAL 188 Cb 1.18 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3nnk h VAL 188 CO 0.12 0.24 0.00 0.79 0.02 0.00 0.00 177.57 178.74 3nnk n TRP 189 N -4.26 0.81 -3.50 1.57 8.01 0.33 -4.96 117.44 115.44 3nnk n TRP 189 Ca -0.02 -0.40 -0.19 0.00 -1.31 0.00 0.00 57.50 55.57 3nnk n TRP 189 Cb 0.29 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 29.67 3nnk n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3nnk n GLY 190 N 1.49 -0.42 3.75 6.99 0.00 -0.94 -3.68 105.19 112.39 3nnk n GLY 190 Ca 0.21 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.68 4.36 -0.06 0.99 1.43 -0.33 -4.70 118.68 113.68 3nnk s LEU 191 Ca 0.19 0.98 0.15 0.00 -1.03 0.00 0.00 54.13 54.43 3nnk s LEU 191 Cb -0.09 -2.79 -0.22 0.00 0.03 0.00 0.00 46.19 43.13 3nnk s LEU 191 CO 0.73 0.08 0.55 0.47 0.23 0.00 0.00 176.35 178.41 3nnk n ASP 192 N 3.07 0.65 -3.74 2.29 8.00 0.17 -4.55 116.55 122.45 3nnk n ASP 192 Ca -0.08 0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 3nnk n ASP 192 Cb 0.51 0.28 -0.11 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.66 -0.91 -0.02 2.24 0.00 -0.98 -0.25 121.76 119.19 3nnk s ALA 193 Ca -0.06 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.05 3nnk s ALA 193 Cb 0.08 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.54 3nnk s ALA 193 CO 0.83 -0.19 -0.04 0.08 0.00 0.00 0.00 175.76 176.44 3nnk s VAL 194 N 0.52 0.38 0.02 0.00 1.01 -0.84 -1.70 120.40 119.79 3nnk s VAL 194 Ca -0.03 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.91 3nnk s VAL 194 Cb -0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3nnk s VAL 194 CO -0.03 0.16 -0.19 -0.94 0.00 0.00 0.00 175.10 174.10 3nnk s SER 195 N 0.50 2.19 0.00 3.32 1.04 -1.15 -1.50 113.70 118.10 3nnk s SER 195 Ca -0.06 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3nnk s SER 195 Cb -0.09 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.82 3nnk s SER 195 CO -0.00 0.17 0.00 0.00 0.98 0.00 0.00 173.24 174.39 3nnk n ALA 196 N 2.24 0.00 -3.84 5.32 0.00 -0.69 -1.51 120.51 122.03 3nnk n ALA 196 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.20 3nnk n ALA 196 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.05 -0.15 0.00 0.00 -1.26 -4.26 107.32 101.70 3nnk s GLY 197 Ca 0.00 -0.44 0.09 0.00 0.00 0.00 0.00 44.72 44.37 3nnk s GLY 197 CO 0.00 -0.13 0.23 1.03 0.00 0.00 0.00 173.10 174.23 3nnk n MET 198 N -0.48 0.68 -0.28 2.90 0.00 -1.24 -4.64 117.12 114.05 3nnk n MET 198 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.80 3nnk n MET 198 Cb 0.59 -1.63 0.00 0.00 0.00 0.00 0.00 33.22 32.18 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3nnk n GLN 199 N -3.06 0.96 0.23 0.03 0.00 -1.23 -0.70 117.38 113.60 3nnk n GLN 199 Ca -0.31 0.00 0.11 0.00 0.00 0.00 0.00 57.00 56.80 3nnk n GLN 199 Cb 1.08 -1.02 0.59 0.00 0.00 0.00 0.00 30.24 30.88 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 0.79 -2.69 0.00 4.07 -1.78 -3.34 115.31 112.36 3nnk h LEU 202 Ca 0.00 -0.76 -0.02 0.00 0.08 0.00 0.00 57.88 57.18 3nnk h LEU 202 Cb 0.48 -0.25 0.02 0.00 1.08 0.00 0.00 40.66 41.99 3nnk h LEU 202 CO 0.00 1.57 -0.08 0.61 -1.08 0.00 0.00 178.44 179.46 3nnk n GLY 203 N 1.44 -0.67 0.00 0.83 0.00 0.12 -4.69 105.19 102.22 3nnk n GLY 203 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.39 0.72 3.82 -0.02 0.00 -1.26 -1.70 105.19 105.36 3nnk n GLY 204 Ca -0.01 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 3nnk n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 205 N 0.00 4.20 0.72 1.61 0.04 -1.26 -3.57 135.00 136.74 3nnk s PRO 205 Ca 0.00 0.75 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 3nnk s PRO 205 Cb 0.00 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.49 3nnk s PRO 205 CO 0.00 0.54 1.23 -1.54 0.04 0.00 0.00 177.00 177.27 3nnk s SER 206 N -1.38 4.17 0.00 6.66 1.04 -1.26 -4.40 113.70 118.53 3nnk s SER 206 Ca 0.35 2.45 0.00 0.00 0.48 0.00 0.00 55.95 59.23 3nnk s SER 206 Cb -0.18 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3nnk s SER 206 CO 0.20 -2.28 0.00 0.61 0.98 0.00 0.00 173.24 172.75 3nnk n GLY 207 N 0.59 -0.08 2.94 7.32 0.00 -1.26 -4.99 105.19 109.70 3nnk n GLY 207 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.89 0.24 -0.33 2.61 2.01 -0.71 -2.36 115.64 116.21 3nnk s THR 208 Ca 0.00 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3nnk s THR 208 Cb 0.00 -0.24 0.10 0.00 0.01 0.00 0.00 72.50 72.37 3nnk s THR 208 CO 0.00 -0.06 0.10 -0.55 -0.69 0.00 0.00 174.62 173.43 3nnk s SER 209 N -0.40 4.14 0.13 3.53 0.15 -0.27 -3.70 113.70 117.28 3nnk s SER 209 Ca -0.02 -1.84 -0.31 0.00 0.70 0.00 0.00 55.95 54.48 3nnk s SER 209 Cb -0.03 -1.03 -0.09 0.00 -1.71 0.00 0.00 66.02 63.17 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 1.35 4.30 0.04 5.44 0.02 -1.26 -0.85 135.00 144.04 3nnk s PRO 210 Ca 0.11 2.15 0.05 0.00 0.02 0.00 0.00 61.00 63.33 3nnk s PRO 210 Cb -0.18 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 3nnk s PRO 210 CO -0.19 -0.47 -0.14 0.96 -0.33 0.00 0.00 177.00 176.83 3nnk s ILE 211 N 1.03 1.09 0.03 2.83 -4.36 0.53 -1.70 121.20 120.66 3nnk s ILE 211 Ca 0.65 -1.04 0.06 0.00 -0.26 0.00 0.00 60.65 60.07 3nnk s ILE 211 Cb -0.39 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 3nnk s ILE 211 CO 0.31 -0.04 -0.19 0.28 0.24 0.00 0.00 174.94 175.55 3nnk s THR 212 N -0.92 1.48 -0.05 8.37 -1.32 -0.57 -0.97 115.64 121.67 3nnk s THR 212 Ca 0.01 -1.07 0.03 0.00 -1.21 0.00 0.00 61.69 59.45 3nnk s THR 212 Cb -0.08 -1.29 0.01 0.00 -1.51 0.00 0.00 72.50 69.63 3nnk s THR 212 CO 0.01 0.19 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.74 3nnk s LEU 213 N -1.02 1.71 0.84 9.08 1.43 -0.75 -1.99 118.68 127.97 3nnk s LEU 213 Ca 0.06 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 3nnk s LEU 213 Cb -0.08 -0.77 0.10 0.00 0.03 0.00 0.00 46.19 45.47 3nnk s LEU 213 CO 0.01 0.06 1.09 -0.94 0.23 0.00 0.00 176.35 176.80 3nnk s SER 214 N 0.45 3.99 0.32 2.29 1.04 0.66 -4.40 113.70 118.05 3nnk s SER 214 Ca -0.10 1.53 0.05 0.00 0.48 0.00 0.00 55.95 57.91 3nnk s SER 214 Cb -0.13 -2.23 0.68 0.00 0.10 0.00 0.00 66.02 64.43 3nnk s SER 214 CO 0.02 -2.32 1.87 0.00 0.98 0.00 0.00 173.24 173.80 3nnk h ALA 215 N -1.33 1.67 -0.75 5.32 0.00 -1.94 -0.97 119.26 121.25 3nnk h ALA 215 Ca -0.47 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3nnk h ALA 215 Cb 1.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3nnk h ALA 215 CO 0.55 0.12 0.32 0.00 0.00 0.00 0.00 179.25 180.24 3nnk h ARG 216 N 0.86 1.10 -0.16 0.00 3.08 -1.93 -3.04 114.38 114.28 3nnk h ARG 216 Ca 0.45 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 3nnk h ARG 216 Cb 0.52 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3nnk h ARG 216 CO -0.21 0.88 0.00 0.52 -1.07 0.00 0.00 179.97 180.09 3nnk h MET 217 N 1.08 0.28 -0.63 0.04 2.86 -1.46 -2.64 114.93 114.47 3nnk h MET 217 Ca 0.25 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 3nnk h MET 217 Cb 0.17 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3nnk h MET 217 CO -0.03 0.50 0.42 1.05 1.06 0.00 0.00 176.91 179.91 3nnk h GLU 218 N 0.03 0.76 -0.29 1.72 4.11 -1.44 -0.73 114.58 118.74 3nnk h GLU 218 Ca 0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3nnk h GLU 218 Cb 0.37 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3nnk h GLU 218 CO 0.01 0.51 0.16 1.49 0.07 0.00 0.00 179.01 181.25 3nnk h GLU 219 N 0.79 0.41 0.00 1.06 4.81 -1.47 0.45 114.58 120.63 3nnk h GLU 219 Ca 0.24 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 3nnk h GLU 219 Cb 0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3nnk h GLU 219 CO -0.06 0.35 -0.33 0.00 -0.73 0.00 0.00 179.01 178.24 3nnk h ALA 220 N 1.04 1.45 0.05 2.92 0.00 -1.01 -2.41 119.26 121.30 3nnk h ALA 220 Ca 0.10 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 3nnk h ALA 220 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3nnk h ALA 220 CO -0.02 0.41 -1.27 0.82 0.00 0.00 0.00 179.25 179.19 3nnk h ILE 221 N 0.00 1.42 -0.22 0.00 2.04 -0.87 -3.34 117.51 116.53 3nnk h ILE 221 Ca -0.00 -3.11 -0.09 0.00 1.00 0.00 0.00 64.86 62.65 3nnk h ILE 221 Cb 0.58 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 3nnk h ILE 221 CO 0.04 0.85 -0.25 0.03 0.00 0.00 0.00 178.15 178.83 3nnk h ARG 222 N 0.03 0.42 0.00 2.37 -0.00 0.16 -2.04 114.38 115.31 3nnk h ARG 222 Ca -0.13 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.98 59.20 3nnk h ARG 222 Cb 1.90 -0.03 -0.00 0.00 0.00 0.00 0.00 29.97 31.84 3nnk h ARG 222 CO 0.14 0.64 -0.00 0.00 0.00 0.00 0.00 179.97 180.75 3nnk h ARG 223 N 0.38 0.00 -0.01 0.04 3.08 -1.56 -1.52 114.38 114.79 3nnk h ARG 223 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3nnk h ARG 223 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3nnk h ARG 223 CO 0.05 0.00 -0.13 0.54 -1.07 0.00 0.00 179.97 179.36 3nnk n ARG 224 N -3.16 1.10 -1.66 0.04 5.12 -0.77 -2.01 116.66 115.32 3nnk n ARG 224 Ca -0.02 -0.59 -0.57 0.00 -1.93 0.00 0.00 57.85 54.74 3nnk n ARG 224 Cb 0.11 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 29.85 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 -0.44 0.92 -3.23 5.56 4.81 -0.57 -4.34 118.16 120.86 3nnk n LYS 225 Ca 0.15 0.33 -0.03 0.00 -0.87 0.00 0.00 58.31 57.90 3nnk n LYS 225 Cb 0.33 -1.97 -0.03 0.00 0.02 0.00 0.00 35.03 33.38 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 2.49 3.93 0.42 0.00 1.01 -1.26 -5.00 120.40 121.99 3nnk s VAL 227 Ca 0.11 1.84 -0.26 0.00 0.00 0.00 0.00 61.98 63.66 3nnk s VAL 227 Cb -0.10 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3nnk s VAL 227 CO -0.23 0.40 1.46 1.21 0.00 0.00 0.00 175.10 177.93 3nnk n GLU 228 N 1.74 2.43 -0.07 2.72 0.00 -1.26 -4.75 120.64 121.44 3nnk n GLU 228 Ca -0.00 0.86 0.01 0.00 0.00 0.00 0.00 57.16 58.02 3nnk n GLU 228 Cb 0.46 -2.65 0.30 0.00 0.00 0.00 0.00 31.44 29.55 3nnk n GLU 228 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3nnk h GLU 229 N 2.56 0.69 0.00 5.31 -0.00 -1.94 0.29 114.58 121.49 3nnk h GLU 229 Ca -0.51 -0.09 0.00 0.00 -0.00 0.00 0.00 59.36 58.76 3nnk h GLU 229 Cb 1.26 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 3nnk h GLU 229 CO 0.62 0.56 0.00 0.41 -0.00 0.00 0.00 179.01 180.60 3nnk n GLY 230 N -1.16 -1.31 0.00 1.06 0.00 -1.26 -3.24 105.19 99.28 3nnk n GLY 230 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3nnk n GLY 230 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3nnk n ILE 231 N -1.85 0.01 -2.36 -0.61 -5.35 -1.00 -5.05 119.36 103.14 3nnk n ILE 231 Ca 0.04 -0.29 -0.41 0.00 -0.27 0.00 0.00 62.75 61.82 3nnk n ILE 231 Cb 0.27 1.42 -0.03 0.00 -1.74 0.00 0.00 39.64 39.56 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 -0.01 4.50 0.00 6.28 3.52 0.06 -4.96 118.95 128.34 3nnk s ARG 232 Ca 0.00 1.90 0.00 0.00 -0.13 0.00 0.00 55.73 57.50 3nnk s ARG 232 Cb 0.00 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 3nnk s ARG 232 CO 0.00 -0.05 0.00 0.25 -0.81 0.00 0.00 175.30 174.69 3nnk n THR 233 N 2.14 0.00 0.43 4.11 -2.24 -1.26 -4.98 114.28 112.48 3nnk n THR 233 Ca 0.03 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 3nnk n THR 233 Cb 0.44 -0.33 0.36 0.00 -2.10 0.00 0.00 70.33 68.70 3nnk n THR 233 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3nnk h ASP 234 N 0.00 0.00 -0.26 3.42 3.32 -2.03 -3.33 116.42 117.54 3nnk h ASP 234 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3nnk h ASP 234 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3nnk h ASP 234 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3nnk n ALA 235 N -1.92 2.48 -2.45 3.45 0.00 -1.26 -4.87 120.51 115.94 3nnk n ALA 235 Ca 0.04 -0.61 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 3nnk n ALA 235 Cb 0.43 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 3nnk n ALA 235 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3nnk s HIS 236 N -1.66 2.50 0.02 0.00 3.76 -1.25 -5.14 115.29 113.51 3nnk s HIS 236 Ca 0.30 -0.29 -0.15 0.00 -0.15 0.00 0.00 55.06 54.78 3nnk s HIS 236 Cb 0.16 -1.37 0.02 0.00 1.11 0.00 0.00 32.58 32.50 3nnk s HIS 236 CO 0.23 0.32 0.32 -0.98 -0.85 0.00 0.00 174.74 173.78 3nnk s ARG 237 N -1.84 0.77 0.66 1.40 1.70 -1.26 -4.90 118.95 115.47 3nnk s ARG 237 Ca 0.16 -0.36 -0.17 0.00 -0.47 0.00 0.00 55.73 54.89 3nnk s ARG 237 Cb -0.10 0.34 -0.00 0.00 -0.57 0.00 0.00 34.95 34.61 3nnk s ARG 237 CO 0.07 -0.24 1.23 -0.51 -1.08 0.00 0.00 175.30 174.77 3nnk s ASP 238 N -1.75 4.70 0.99 -2.89 1.01 -1.26 -4.81 116.67 112.65 3nnk s ASP 238 Ca -0.08 2.42 -0.17 0.00 0.71 0.00 0.00 52.55 55.43 3nnk s ASP 238 Cb -0.03 -2.60 0.22 0.00 1.01 0.00 0.00 42.92 41.53 3nnk s ASP 238 CO 0.00 -1.92 1.35 -0.83 0.21 0.00 0.00 175.17 173.97 3nnk s GLY 239 N -1.73 1.81 0.19 0.21 0.00 -0.57 -4.96 107.32 102.28 3nnk s GLY 239 Ca 0.77 -1.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 3nnk s GLY 239 CO 0.39 -0.48 1.62 -0.55 0.00 0.00 0.00 173.10 174.09 3nnk h ASP 240 N -1.74 0.93 -3.80 1.64 5.19 -1.86 -3.45 116.42 113.32 3nnk h ASP 240 Ca -0.44 -0.31 -0.46 0.00 -0.62 0.00 0.00 57.03 55.20 3nnk h ASP 240 Cb 1.22 -0.25 0.08 0.00 0.18 0.00 0.00 39.33 40.55 3nnk h ASP 240 CO 0.33 1.06 0.23 -1.61 -3.12 0.00 0.00 179.24 176.14 3nnk s GLU 241 N -4.78 2.30 0.91 3.56 2.02 -0.85 -5.07 118.70 116.78 3nnk s GLU 241 Ca -0.11 -0.19 -0.12 0.00 0.02 0.00 0.00 54.97 54.58 3nnk s GLU 241 Cb 0.13 -2.17 0.13 0.00 0.10 0.00 0.00 34.13 32.33 3nnk s GLU 241 CO 0.85 -1.18 1.09 -1.83 0.02 0.00 0.00 175.26 174.21 3nnk s GLU 242 N -5.23 1.17 0.56 1.61 -1.05 -1.26 -4.62 118.70 109.87 3nnk s GLU 242 Ca 0.59 0.84 -0.17 0.00 -0.15 0.00 0.00 54.97 56.08 3nnk s GLU 242 Cb -0.11 -1.80 -0.05 0.00 -0.44 0.00 0.00 34.13 31.73 3nnk s GLU 242 CO 0.45 -2.31 1.04 0.00 0.95 0.00 0.00 175.26 175.40 3nnk s MET 243 N -4.91 3.51 0.04 -4.83 0.23 -1.26 -4.59 119.30 107.50 3nnk s MET 243 Ca 0.64 1.20 -0.31 0.00 -1.03 0.00 0.00 55.69 56.19 3nnk s MET 243 Cb -0.18 -2.06 -0.06 0.00 -1.53 0.00 0.00 34.83 31.00 3nnk s MET 243 CO 0.57 -0.65 1.30 0.42 -2.03 0.00 0.00 175.02 174.63 3nnk s ILE 244 N -2.38 3.80 -0.05 3.16 1.01 -1.26 -4.91 121.20 120.57 3nnk s ILE 244 Ca 0.64 1.25 -0.05 0.00 0.00 0.00 0.00 60.65 62.49 3nnk s ILE 244 Cb -0.15 -3.80 -0.20 0.00 0.01 0.00 0.00 42.46 38.32 3nnk s ILE 244 CO 0.32 0.06 3.31 -1.22 0.00 0.00 0.00 174.94 177.41 3nnk n TYR 245 N 4.47 0.17 -3.57 3.97 4.01 -1.26 -4.66 117.16 120.29 3nnk n TYR 245 Ca 0.11 -1.48 -0.16 0.00 -0.16 0.00 0.00 57.90 56.20 3nnk n TYR 245 Cb 0.45 -1.43 -0.07 0.00 -0.31 0.00 0.00 39.34 37.99 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk s SER 246 N 1.82 -0.68 -0.14 7.72 0.15 -1.26 -5.06 113.70 116.25 3nnk s SER 246 Ca 0.57 0.99 -0.14 0.00 0.70 0.00 0.00 55.95 58.06 3nnk s SER 246 Cb 0.28 0.90 -0.12 0.00 -1.71 0.00 0.00 66.02 65.38 3nnk s SER 246 CO -0.02 -0.46 0.22 -1.13 1.20 0.00 0.00 173.24 173.05 3nnk h ASN 247 N 3.85 0.00 -0.02 5.45 -1.24 -1.98 -3.32 115.58 118.32 3nnk h ASN 247 Ca -0.28 -0.38 -0.07 0.00 0.71 0.00 0.00 56.30 56.28 3nnk h ASN 247 Cb 1.15 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 3nnk h ASN 247 CO 0.26 0.89 -0.18 0.22 -1.29 0.00 0.00 177.43 177.33 3nnk h TYR 248 N -1.00 0.40 -0.57 0.67 3.20 -1.97 -2.89 116.97 114.80 3nnk h TYR 248 Ca -0.07 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.74 3nnk h TYR 248 Cb 0.65 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3nnk h TYR 248 CO 0.05 0.53 0.00 1.19 -1.64 0.00 0.00 178.16 178.29 3nnk n PHE 249 N -4.20 1.74 -2.53 -3.82 3.72 -1.26 -4.88 117.46 106.24 3nnk n PHE 249 Ca -0.00 -0.63 -0.42 0.00 -0.05 0.00 0.00 57.45 56.34 3nnk n PHE 249 Cb 0.33 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.46 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 -0.77 6.43 0.33 4.37 -1.08 -1.10 -4.56 116.67 120.28 3nnk s ASP 250 Ca 0.50 0.32 0.26 0.00 -0.52 0.00 0.00 52.55 53.10 3nnk s ASP 250 Cb 0.36 -2.55 0.74 0.00 -1.46 0.00 0.00 42.92 40.01 3nnk s ASP 250 CO 0.18 -1.45 1.74 -0.07 0.52 0.00 0.00 175.17 176.08 3nnk h LEU 251 N 11.97 0.00 -0.44 -1.34 3.38 -1.90 -1.98 115.31 125.00 3nnk h LEU 251 Ca -0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3nnk h LEU 251 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3nnk h LEU 251 CO 1.16 0.00 0.22 1.23 0.09 0.00 0.00 178.44 181.14 3nnk h GLY 252 N 3.79 0.67 2.00 0.83 0.00 -1.90 -1.20 103.07 107.27 3nnk h GLY 252 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 3nnk h GLY 252 CO 0.00 0.31 -0.63 -0.33 0.00 0.00 0.00 176.54 175.89 3nnk h MET 253 N 0.57 0.00 -0.21 4.80 2.86 -1.88 -2.70 114.93 118.37 3nnk h MET 253 Ca 0.15 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 3nnk h MET 253 Cb 0.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 3nnk h MET 253 CO -0.02 0.63 -0.19 0.28 1.06 0.00 0.00 176.91 178.67 3nnk h VAL 254 N 0.00 1.33 -0.80 -2.22 2.07 -1.32 -2.61 116.25 112.70 3nnk h VAL 254 Ca -0.01 -1.34 0.06 0.00 0.82 0.00 0.00 66.70 66.23 3nnk h VAL 254 Cb 1.40 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 3nnk h VAL 254 CO 0.08 0.41 0.48 0.24 0.02 0.00 0.00 177.57 178.80 3nnk h MET 255 N 0.17 0.85 0.00 1.57 2.86 -1.20 -1.19 114.93 117.98 3nnk h MET 255 Ca 0.03 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3nnk h MET 255 Cb 0.73 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3nnk h MET 255 CO 0.05 0.56 0.00 -0.44 1.06 0.00 0.00 176.91 178.14 3nnk h ASP 256 N 0.87 0.00 0.59 1.22 3.32 -1.47 -2.05 116.42 118.90 3nnk h ASP 256 Ca 0.35 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.12 3nnk h ASP 256 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3nnk h ASP 256 CO -0.18 0.00 -1.46 0.22 -1.72 0.00 0.00 179.24 176.10 3nnk h TYR 257 N 0.00 0.22 -0.13 4.55 3.20 -0.87 0.98 116.97 124.93 3nnk h TYR 257 Ca 0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3nnk h TYR 257 Cb 0.47 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3nnk h TYR 257 CO 0.00 1.20 0.00 0.91 -1.64 0.00 0.00 178.16 178.63 3nnk n TRP 258 N -3.32 0.15 -3.94 -3.82 7.02 -0.56 -4.44 117.44 108.53 3nnk n TRP 258 Ca -0.13 -0.08 -0.20 0.00 -1.02 0.00 0.00 57.50 56.07 3nnk n TRP 258 Cb 1.02 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.90 3nnk n TRP 258 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3nnk n GLY 259 N 1.16 3.02 0.37 6.99 0.00 -0.79 -4.96 105.19 110.97 3nnk n GLY 259 Ca 0.17 -2.28 0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 0.66 0.00 1.61 0.13 -1.89 -1.13 132.00 131.38 3nnk h PRO 260 Ca -0.27 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 3nnk h PRO 260 Cb 0.93 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 3nnk h PRO 260 CO 0.42 0.44 -0.33 0.93 -0.23 0.00 0.00 178.00 179.22 3nnk h GLU 261 N 0.68 0.00 -5.94 0.86 3.07 -1.95 -3.48 114.58 107.82 3nnk h GLU 261 Ca 0.47 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.96 3nnk h GLU 261 Cb 0.78 0.00 0.12 0.00 -0.84 0.00 0.00 28.75 28.81 3nnk h GLU 261 CO -0.22 0.33 -0.89 0.54 -1.40 0.00 0.00 179.01 177.37 3nnk n ARG 262 N -4.05 -2.37 -2.41 2.33 5.12 -0.43 -4.93 116.66 109.92 3nnk n ARG 262 Ca -0.02 0.63 -0.42 0.00 -1.93 0.00 0.00 57.85 56.11 3nnk n ARG 262 Cb 0.38 -4.92 -0.03 0.00 -1.16 0.00 0.00 32.46 26.74 3nnk n ARG 262 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3nnk s LEU 263 N -6.16 4.29 -0.98 0.55 1.98 0.31 -4.90 118.68 113.77 3nnk s LEU 263 Ca 0.37 1.89 -0.20 0.00 -2.89 0.00 0.00 54.13 53.29 3nnk s LEU 263 Cb -0.10 -3.56 -0.10 0.00 0.66 0.00 0.00 46.19 43.09 3nnk s LEU 263 CO 0.81 -0.61 1.99 -3.20 -1.89 0.00 0.00 176.35 173.45 3nnk n ASN 264 N 5.18 2.96 -0.04 3.68 2.85 -1.26 -3.94 115.26 124.68 3nnk n ASN 264 Ca 0.11 -2.73 -0.14 0.00 -0.11 0.00 0.00 54.58 51.71 3nnk n ASN 264 Cb 0.46 -1.32 -0.08 0.00 1.24 0.00 0.00 39.78 40.08 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 7.62 0.46 -2.70 1.20 -0.00 -1.91 -3.48 115.15 116.33 3nnk h HIS 265 Ca 0.44 -0.18 0.07 0.00 -0.00 0.00 0.00 60.37 60.71 3nnk h HIS 265 Cb 0.69 -0.08 -0.10 0.00 -0.00 0.00 0.00 27.41 27.92 3nnk h HIS 265 CO 1.30 0.87 0.34 -3.38 -0.00 0.00 0.00 177.93 177.06 3nnk s HIS 266 N -3.90 -0.32 -0.42 5.26 -3.43 -1.26 -5.05 115.29 106.17 3nnk s HIS 266 Ca -0.14 0.04 -0.29 0.00 -0.80 0.00 0.00 55.06 53.87 3nnk s HIS 266 Cb 0.04 0.61 0.02 0.00 -1.43 0.00 0.00 32.58 31.83 3nnk s HIS 266 CO 0.77 -0.88 1.16 0.99 -2.00 0.00 0.00 174.74 174.78 3nnk s THR 267 N -3.55 4.24 0.26 -5.38 2.01 -1.26 -4.99 115.64 106.97 3nnk s THR 267 Ca 0.07 1.33 -0.30 0.00 0.31 0.00 0.00 61.69 63.09 3nnk s THR 267 Cb -0.02 -4.49 -0.11 0.00 0.01 0.00 0.00 72.50 67.89 3nnk s THR 267 CO -0.04 -0.82 1.55 -0.70 -0.69 0.00 0.00 174.62 173.92 3nnk s GLU 268 N 4.29 4.18 -0.49 4.92 2.56 -1.26 -4.89 118.70 128.01 3nnk s GLU 268 Ca 0.49 2.47 -0.27 0.00 0.00 0.00 0.00 54.97 57.67 3nnk s GLU 268 Cb -0.10 -3.07 -0.04 0.00 2.00 0.00 0.00 34.13 32.93 3nnk s GLU 268 CO 0.27 -0.57 2.02 0.00 -0.56 0.00 0.00 175.26 176.42 3nnk s ALA 269 N 0.19 2.20 0.06 6.30 0.00 -1.26 -4.87 121.76 124.37 3nnk s ALA 269 Ca 0.64 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 52.17 3nnk s ALA 269 Cb -0.46 -4.24 -0.17 0.00 0.00 0.00 0.00 23.12 18.25 3nnk s ALA 269 CO 0.44 -3.72 1.58 1.15 0.00 0.00 0.00 175.76 175.21 3nnk h THR 270 N 7.11 1.01 -0.27 0.00 2.02 -1.97 -0.46 112.91 120.36 3nnk h THR 270 Ca -0.28 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 3nnk h THR 270 Cb 1.20 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 3nnk h THR 270 CO 1.15 0.08 0.17 0.74 0.37 0.00 0.00 175.52 178.02 3nnk h THR 271 N -0.24 1.09 -0.30 3.16 2.02 -1.91 -1.53 112.91 115.20 3nnk h THR 271 Ca -0.01 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3nnk h THR 271 Cb 0.21 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3nnk h THR 271 CO 0.02 0.09 0.09 0.00 0.37 0.00 0.00 175.52 176.09 3nnk h ALA 272 N 1.07 1.60 -0.41 6.16 0.00 -1.91 -0.76 119.26 125.00 3nnk h ALA 272 Ca 0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 272 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3nnk h ALA 272 CO -0.02 0.31 -0.23 1.25 0.00 0.00 0.00 179.25 180.56 3nnk h LEU 273 N 0.43 0.92 -0.95 0.00 6.46 -0.79 0.12 115.31 121.50 3nnk h LEU 273 Ca 0.10 -0.42 0.01 0.00 -0.12 0.00 0.00 57.88 57.46 3nnk h LEU 273 Cb 0.14 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 39.77 3nnk h LEU 273 CO -0.01 1.13 0.62 -0.26 -0.62 0.00 0.00 178.44 179.31 3nnk h PHE 274 N 0.71 1.20 0.04 1.25 0.04 -0.46 0.15 116.94 119.87 3nnk h PHE 274 Ca 0.09 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 3nnk h PHE 274 Cb 0.81 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3nnk h PHE 274 CO 0.06 0.76 -0.02 0.78 -0.60 0.00 0.00 178.31 179.29 3nnk h GLY 275 N 1.28 -0.06 1.84 -1.45 0.00 -1.04 -2.60 103.07 101.04 3nnk h GLY 275 Ca 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 3nnk h GLY 275 CO -0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 176.54 176.38 3nnk h ALA 276 N 0.57 1.63 -0.53 3.60 0.00 -0.78 -2.12 119.26 121.64 3nnk h ALA 276 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3nnk h ALA 276 Cb 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3nnk h ALA 276 CO 0.01 0.27 0.10 -0.09 0.00 0.00 0.00 179.25 179.54 3nnk h ARG 277 N 0.20 0.86 0.14 0.00 2.43 -0.67 -3.09 114.38 114.25 3nnk h ARG 277 Ca 0.04 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3nnk h ARG 277 Cb 0.26 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3nnk h ARG 277 CO 0.01 0.83 -0.07 0.93 -1.51 0.00 0.00 179.97 180.17 3nnk h GLU 278 N 0.75 -0.19 -0.59 0.20 4.39 -1.00 -1.46 114.58 116.68 3nnk h GLU 278 Ca 0.16 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.99 3nnk h GLU 278 Cb 0.38 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 28.95 3nnk h GLU 278 CO 0.01 0.11 -0.22 0.00 -1.16 0.00 0.00 179.01 177.75 3nnk h ALA 280 N 1.36 0.53 -0.61 0.00 0.00 -1.54 -1.21 119.26 117.79 3nnk h ALA 280 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3nnk h ALA 280 Cb 0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3nnk h ALA 280 CO -0.64 0.09 0.33 -0.09 0.00 0.00 0.00 179.25 178.94 3nnk h ARG 281 N 0.53 0.85 -0.36 0.00 2.43 -0.06 -1.72 114.38 116.05 3nnk h ARG 281 Ca 0.14 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3nnk h ARG 281 Cb 0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3nnk h ARG 281 CO -0.02 0.64 -0.25 -0.07 -1.51 0.00 0.00 179.97 178.77 3nnk h LEU 282 N 0.82 0.84 -0.22 3.80 3.38 -0.05 -1.43 115.31 122.45 3nnk h LEU 282 Ca 0.21 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3nnk h LEU 282 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3nnk h LEU 282 CO -0.03 1.10 0.14 0.40 0.09 0.00 0.00 178.44 180.14 3nnk h ILE 283 N 0.60 1.06 0.00 1.22 2.04 -1.11 -1.91 117.51 119.41 3nnk h ILE 283 Ca 0.07 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3nnk h ILE 283 Cb 0.81 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3nnk h ILE 283 CO 0.07 0.06 -0.16 -0.07 0.00 0.00 0.00 178.15 178.04 3nnk h LEU 284 N 0.29 0.00 -0.05 1.44 3.38 -1.29 0.35 115.31 119.43 3nnk h LEU 284 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3nnk h LEU 284 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3nnk h LEU 284 CO -0.02 0.16 -0.03 1.56 0.09 0.00 0.00 178.44 180.20 3nnk h GLN 285 N 0.00 0.11 -0.52 1.13 4.20 -1.01 -3.06 115.11 115.96 3nnk h GLN 285 Ca -0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3nnk h GLN 285 Cb 0.74 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 3nnk h GLN 285 CO 0.02 0.53 0.22 1.49 -0.67 0.00 0.00 178.83 180.42 3nnk h GLU 286 N -0.30 0.73 -0.07 1.46 4.81 -1.17 -3.49 114.58 116.56 3nnk h GLU 286 Ca 0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3nnk h GLU 286 Cb 0.50 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3nnk h GLU 286 CO 0.01 0.59 0.00 0.41 -0.73 0.00 0.00 179.01 179.29 3nnk n GLY 287 N -1.14 0.63 0.17 1.92 0.00 0.10 -4.68 105.19 102.19 3nnk n GLY 287 Ca 0.04 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 44.75 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 0.35 -0.68 0.99 5.85 -1.84 -1.52 115.31 118.47 3nnk h LEU 288 Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3nnk h LEU 288 Cb 0.00 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3nnk h LEU 288 CO 0.00 0.26 0.39 0.44 -0.34 0.00 0.00 178.44 179.18 3nnk h ASP 289 N 0.45 0.58 -0.60 1.25 3.45 -1.93 -1.39 116.42 118.24 3nnk h ASP 289 Ca 0.16 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.62 3nnk h ASP 289 Cb 0.03 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.68 3nnk h ASP 289 CO -0.09 0.38 0.28 1.88 -1.57 0.00 0.00 179.24 180.12 3nnk h TYR 290 N 0.71 0.87 -0.52 4.55 0.05 -1.72 -1.65 116.97 119.26 3nnk h TYR 290 Ca 0.30 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 3nnk h TYR 290 Cb 0.17 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 3nnk h TYR 290 CO -0.07 0.67 0.29 0.78 -1.05 0.00 0.00 178.16 178.78 3nnk h GLY 291 N 0.82 0.78 0.99 3.88 0.00 -0.90 -0.01 103.07 108.63 3nnk h GLY 291 Ca 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3nnk h GLY 291 CO -0.02 0.34 0.31 -2.22 0.00 0.00 0.00 176.54 174.94 3nnk h ILE 292 N 0.70 1.19 0.00 2.60 2.04 -1.14 -1.00 117.51 121.89 3nnk h ILE 292 Ca 0.18 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3nnk h ILE 292 Cb 0.04 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3nnk h ILE 292 CO -0.03 0.20 -0.26 0.00 0.00 0.00 0.00 178.15 178.06 3nnk h ALA 293 N 1.14 1.39 -0.21 1.87 0.00 -1.08 -1.29 119.26 121.07 3nnk h ALA 293 Ca 0.20 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 3nnk h ALA 293 Cb 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3nnk h ALA 293 CO -0.03 0.33 -0.64 -0.09 0.00 0.00 0.00 179.25 178.81 3nnk h ARG 294 N 0.00 0.80 -0.43 0.00 2.43 -0.48 -1.23 114.38 115.47 3nnk h ARG 294 Ca -0.00 -0.59 -0.06 0.00 -0.81 0.00 0.00 59.98 58.53 3nnk h ARG 294 Cb 0.52 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3nnk h ARG 294 CO 0.03 1.20 0.04 0.45 -1.51 0.00 0.00 179.97 180.18 3nnk h HIS 295 N 0.55 0.70 0.27 2.20 3.86 -0.82 -2.65 115.15 119.26 3nnk h HIS 295 Ca -0.02 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3nnk h HIS 295 Cb 1.26 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3nnk h HIS 295 CO 0.08 0.64 -0.13 -0.22 0.86 0.00 0.00 177.93 179.16 3nnk h LYS 296 N 0.64 -0.35 -0.41 2.45 3.64 -1.20 -1.75 116.57 119.59 3nnk h LYS 296 Ca 0.14 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3nnk h LYS 296 Cb 0.35 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 3nnk h LYS 296 CO 0.01 -0.02 -0.45 1.25 -2.27 0.00 0.00 179.45 177.98 3nnk h LEU 297 N -0.76 -1.49 -0.61 5.20 5.85 -1.19 0.32 115.31 122.62 3nnk h LEU 297 Ca -0.04 0.22 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 3nnk h LEU 297 Cb 0.50 0.65 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3nnk h LEU 297 CO 0.06 -0.37 -0.68 0.45 -0.34 0.00 0.00 178.44 177.56 3nnk h HIS 298 N -0.34 0.09 -0.40 1.25 3.86 -1.58 -1.38 115.15 116.66 3nnk h HIS 298 Ca 0.13 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3nnk h HIS 298 Cb 0.59 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 3nnk h HIS 298 CO -0.64 0.73 0.09 0.78 0.86 0.00 0.00 177.93 179.74 3nnk h GLY 299 N 1.90 0.70 1.01 2.45 0.00 -0.92 -2.41 103.07 105.81 3nnk h GLY 299 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3nnk h GLY 299 CO 0.09 0.42 0.33 -0.55 0.00 0.00 0.00 176.54 176.83 3nnk h ASP 300 N 0.51 0.88 -0.79 0.19 3.32 -0.15 -2.45 116.42 117.94 3nnk h ASP 300 Ca 0.12 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3nnk h ASP 300 Cb 0.33 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3nnk h ASP 300 CO 0.00 0.76 0.52 0.00 -1.72 0.00 0.00 179.24 178.81 3nnk h ALA 301 N 1.16 1.00 -0.42 3.45 0.00 -1.21 -1.87 119.26 121.36 3nnk h ALA 301 Ca 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3nnk h ALA 301 Cb 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3nnk h ALA 301 CO -0.03 0.42 0.25 1.25 0.00 0.00 0.00 179.25 181.14 3nnk h LEU 302 N 1.07 0.51 0.18 0.00 5.85 -1.23 -1.99 115.31 119.71 3nnk h LEU 302 Ca 0.29 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3nnk h LEU 302 Cb -0.12 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3nnk h LEU 302 CO -0.06 0.43 -0.38 0.58 -0.34 0.00 0.00 178.44 178.67 3nnk h VAL 303 N 0.56 0.23 -0.40 1.05 2.07 -1.09 -1.81 116.25 116.86 3nnk h VAL 303 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 3nnk h VAL 303 Cb 0.01 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 29.93 3nnk h VAL 303 CO -0.03 0.00 -0.09 0.11 0.02 0.00 0.00 177.57 177.58 3nnk h LYS 304 N -0.65 0.01 -0.41 1.57 1.57 -1.22 -0.37 116.57 117.08 3nnk h LYS 304 Ca 0.01 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3nnk h LYS 304 Cb 0.65 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 3nnk h LYS 304 CO -0.18 0.01 0.16 0.78 -0.57 0.00 0.00 179.45 179.64 3nnk h GLY 305 N 0.01 0.54 1.00 3.86 0.00 -1.22 -1.46 103.07 105.79 3nnk h GLY 305 Ca 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 3nnk h GLY 305 CO -0.41 0.05 0.23 -2.22 0.00 0.00 0.00 176.54 174.19 3nnk h ILE 306 N 0.34 1.23 -0.78 2.60 1.08 -0.71 -1.80 117.51 119.48 3nnk h ILE 306 Ca 0.18 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.89 3nnk h ILE 306 Cb 0.14 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 3nnk h ILE 306 CO -0.17 0.28 0.32 1.56 -0.69 0.00 0.00 178.15 179.45 3nnk h GLN 307 N 0.83 1.15 0.00 2.37 4.20 -0.85 -2.23 115.11 120.58 3nnk h GLN 307 Ca 0.20 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3nnk h GLN 307 Cb 0.21 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3nnk h GLN 307 CO -0.02 0.92 0.00 0.00 -0.67 0.00 0.00 178.83 179.07 3nnk h ALA 308 N 1.22 1.00 -0.00 3.87 0.00 -1.06 -2.58 119.26 121.71 3nnk h ALA 308 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3nnk h ALA 308 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3nnk h ALA 308 CO -0.02 0.00 -0.00 -0.12 0.00 0.00 0.00 179.25 179.11 3nnk n MET 309 N -2.52 1.00 -2.07 0.00 0.00 -0.69 -4.07 117.12 108.77 3nnk n MET 309 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 57.70 57.66 3nnk n MET 309 Cb 0.34 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.05 3nnk n MET 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3nnk n GLY 310 N 1.01 0.19 3.63 -5.12 0.00 -0.97 -4.84 105.19 99.08 3nnk n GLY 310 Ca 0.24 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.36 3.32 0.43 0.99 1.43 -1.09 -5.07 118.68 117.34 3nnk s LEU 311 Ca 0.00 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3nnk s LEU 311 Cb 0.00 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3nnk s LEU 311 CO 0.00 0.29 0.70 -1.61 0.23 0.00 0.00 176.35 175.97 3nnk s GLU 312 N -1.40 3.55 0.03 1.70 2.02 -1.26 -4.31 118.70 119.02 3nnk s GLU 312 Ca 0.17 0.06 0.08 0.00 0.02 0.00 0.00 54.97 55.31 3nnk s GLU 312 Cb -0.11 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 3nnk s GLU 312 CO 0.08 -0.07 -0.24 0.95 0.02 0.00 0.00 175.26 176.00 3nnk s THR 313 N -2.56 2.31 0.13 3.63 -4.23 -1.26 -1.62 115.64 112.03 3nnk s THR 313 Ca 0.45 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.51 3nnk s THR 313 Cb -0.10 -1.90 -0.07 0.00 1.34 0.00 0.00 72.50 71.77 3nnk s THR 313 CO 0.41 0.40 0.59 0.12 -0.54 0.00 0.00 174.62 175.59 3nnk s PHE 314 N -0.80 3.69 0.00 3.99 5.36 -0.32 -4.89 117.98 125.01 3nnk s PHE 314 Ca 0.12 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.29 3nnk s PHE 314 Cb -0.10 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 3nnk s PHE 314 CO 0.02 0.48 0.00 0.41 -1.46 0.00 0.00 175.22 174.67 3nnk n GLY 315 N 1.15 -0.36 3.60 13.12 0.00 -1.26 -4.52 105.19 116.93 3nnk n GLY 315 Ca -0.07 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 3nnk n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nnk s ASP 316 N -2.51 6.52 0.54 1.61 2.15 -1.13 -4.91 116.67 118.95 3nnk s ASP 316 Ca 0.00 0.64 0.28 0.00 0.43 0.00 0.00 52.55 53.89 3nnk s ASP 316 Cb 0.00 -2.55 1.57 0.00 -0.30 0.00 0.00 42.92 41.65 3nnk s ASP 316 CO 0.00 -1.32 2.14 -0.07 -0.17 0.00 0.00 175.17 175.75 3nnk h LEU 317 N 11.59 0.00 -2.31 -1.34 3.38 -1.94 -2.67 115.31 122.03 3nnk h LEU 317 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3nnk h LEU 317 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3nnk h LEU 317 CO 1.11 0.08 -0.00 0.11 0.09 0.00 0.00 178.44 179.83 3nnk h LYS 318 N 0.00 0.00 -0.03 1.13 1.57 -2.01 -2.67 116.57 114.56 3nnk h LYS 318 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nnk h LYS 318 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3nnk h LYS 318 CO 0.01 0.00 -0.03 0.72 -0.57 0.00 0.00 179.45 179.58 3nnk n HIS 319 N -4.08 0.12 -2.19 -1.35 8.25 -1.01 -5.06 115.22 109.90 3nnk n HIS 319 Ca -0.03 -1.02 -0.41 0.00 -0.26 0.00 0.00 57.72 56.00 3nnk n HIS 319 Cb 0.08 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 3nnk n HIS 319 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3nnk s LYS 320 N -2.90 4.40 0.36 -0.41 2.20 -1.01 -0.10 119.74 122.28 3nnk s LYS 320 Ca 0.34 2.11 -0.28 0.00 -0.36 0.00 0.00 55.97 57.77 3nnk s LYS 320 Cb 0.29 -3.13 -0.11 0.00 -1.51 0.00 0.00 37.83 33.37 3nnk s LYS 320 CO 0.03 -0.17 1.49 -1.33 -0.36 0.00 0.00 175.35 175.01 3nnk n MET 321 N 1.62 2.64 0.27 4.03 2.81 0.05 -4.75 117.12 123.78 3nnk n MET 321 Ca 0.03 0.93 0.15 0.00 -1.81 0.00 0.00 57.70 56.99 3nnk n MET 321 Cb 0.42 -2.65 0.87 0.00 -0.71 0.00 0.00 33.22 31.15 3nnk n MET 321 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3nnk h ASN 322 N 3.23 0.00 -0.01 7.83 2.35 -1.88 -3.23 115.58 123.86 3nnk h ASN 322 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3nnk h ASN 322 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3nnk h ASN 322 CO 0.66 0.00 -0.21 -0.46 -1.65 0.00 0.00 177.43 175.77 3nnk n ASN 323 N -3.93 1.85 -4.02 5.81 6.94 -1.26 -4.13 115.26 116.52 3nnk n ASN 323 Ca -0.02 -1.42 -0.10 0.00 -0.02 0.00 0.00 54.58 53.02 3nnk n ASN 323 Cb 0.13 0.31 -0.11 0.00 -2.36 0.00 0.00 39.78 37.75 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 -1.67 0.24 -0.03 3.53 1.01 -1.22 -0.95 120.40 121.31 3nnk s VAL 324 Ca 0.15 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3nnk s VAL 324 Cb 0.13 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.98 3nnk s VAL 324 CO 0.32 -0.54 -0.06 -0.22 0.00 0.00 0.00 175.10 174.60 3nnk s LEU 325 N -1.71 1.66 -0.34 3.92 0.20 -0.43 -4.54 118.68 117.44 3nnk s LEU 325 Ca -0.11 -0.13 -0.18 0.00 0.69 0.00 0.00 54.13 54.41 3nnk s LEU 325 Cb -0.07 -0.41 -0.01 0.00 -0.43 0.00 0.00 46.19 45.27 3nnk s LEU 325 CO -0.02 0.02 0.49 -0.83 -0.29 0.00 0.00 176.35 175.71 3nnk s GLY 326 N 0.39 1.83 -0.20 7.98 0.00 -1.26 -1.53 107.32 114.53 3nnk s GLY 326 Ca -0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.62 3nnk s GLY 326 CO 0.00 1.22 -0.09 0.14 0.00 0.00 0.00 173.10 174.37 3nnk s VAL 327 N 2.32 3.06 0.13 1.40 1.01 0.40 -1.18 120.40 127.55 3nnk s VAL 327 Ca 0.18 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 3nnk s VAL 327 Cb -0.16 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.79 3nnk s VAL 327 CO 0.13 0.46 1.18 -0.69 0.00 0.00 0.00 175.10 176.18 3nnk s VAL 328 N 1.30 3.80 0.03 2.92 1.01 -0.64 0.20 120.40 129.02 3nnk s VAL 328 Ca 0.04 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.14 3nnk s VAL 328 Cb -0.14 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3nnk s VAL 328 CO -0.04 0.18 1.30 -0.63 0.00 0.00 0.00 175.10 175.91 3nnk s ILE 329 N 0.36 3.85 -2.00 2.22 1.01 0.63 -4.59 121.20 122.68 3nnk s ILE 329 Ca 0.55 1.27 0.10 0.00 0.00 0.00 0.00 60.65 62.57 3nnk s ILE 329 Cb -0.31 -3.82 0.29 0.00 0.01 0.00 0.00 42.46 38.63 3nnk s ILE 329 CO 0.33 0.05 1.10 -2.65 0.00 0.00 0.00 174.94 173.77 3nnk n PRO 330 N 4.66 0.61 -1.36 2.79 -0.02 -1.26 -4.93 135.00 135.49 3nnk n PRO 330 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3nnk n PRO 330 Cb 0.45 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3nnk n PRO 330 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3nnk n GLN 331 N -0.76 -2.19 -0.06 -0.52 7.27 -1.26 -4.79 117.38 115.07 3nnk n GLN 331 Ca 0.08 1.87 0.00 0.00 0.07 0.00 0.00 57.00 59.01 3nnk n GLN 331 Cb 0.03 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 30.68 3nnk n GLN 331 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 332 N 0.76 0.44 3.21 1.69 0.00 -1.26 -5.06 105.19 104.97 3nnk n GLY 332 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nnk s ILE 333 N -2.15 2.28 -0.24 -0.61 -4.36 -1.26 -5.07 121.20 109.79 3nnk s ILE 333 Ca 0.00 -0.91 -0.29 0.00 -0.26 0.00 0.00 60.65 59.19 3nnk s ILE 333 Cb 0.00 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 3nnk s ILE 333 CO 0.00 0.54 1.49 0.21 0.24 0.00 0.00 174.94 177.42 3nnk s ASN 334 N 0.73 6.52 0.21 4.36 3.84 -1.26 -4.77 114.94 124.58 3nnk s ASN 334 Ca -0.08 1.51 -0.10 0.00 0.21 0.00 0.00 52.86 54.40 3nnk s ASN 334 Cb -0.16 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.16 3nnk s ASN 334 CO 0.00 -1.15 1.87 1.23 -2.79 0.00 0.00 177.10 176.26 3nnk h GLY 335 N 11.23 1.08 2.00 1.21 0.00 -1.99 -2.27 103.07 114.33 3nnk h GLY 335 Ca -0.31 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 3nnk h GLY 335 CO 1.01 0.41 -0.25 1.29 0.00 0.00 0.00 176.54 179.00 3nnk h ASP 336 N 1.03 0.00 0.05 0.19 3.04 -1.95 -2.67 116.42 116.11 3nnk h ASP 336 Ca 0.28 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.84 3nnk h ASP 336 Cb -0.09 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.21 3nnk h ASP 336 CO -0.06 0.25 -0.87 -0.61 -2.04 0.00 0.00 179.24 175.91 3nnk h GLN 337 N 0.00 0.63 -0.33 4.15 4.15 -1.83 -2.04 115.11 119.85 3nnk h GLN 337 Ca -0.00 -0.58 -0.10 0.00 0.77 0.00 0.00 58.65 58.73 3nnk h GLN 337 Cb 0.52 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 3nnk h GLN 337 CO 0.03 1.20 -0.21 0.00 -1.93 0.00 0.00 178.83 177.92 3nnk h ALA 338 N 0.62 1.02 -0.73 3.38 0.00 -1.36 -2.27 119.26 119.92 3nnk h ALA 338 Ca -0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3nnk h ALA 338 Cb 1.50 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3nnk h ALA 338 CO 0.17 0.59 0.27 0.00 0.00 0.00 0.00 179.25 180.28 3nnk h ARG 339 N 0.55 1.11 -0.12 0.00 3.08 -1.43 -1.87 114.38 115.70 3nnk h ARG 339 Ca 0.08 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3nnk h ARG 339 Cb 0.67 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3nnk h ARG 339 CO 0.05 0.92 0.07 -0.22 -1.07 0.00 0.00 179.97 179.71 3nnk h LYS 340 N 1.06 0.17 -0.53 0.04 3.64 -1.12 -1.88 116.57 117.95 3nnk h LYS 340 Ca 0.24 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3nnk h LYS 340 Cb 0.24 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3nnk h LYS 340 CO -0.02 0.19 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.26 3nnk h LEU 341 N 0.10 0.89 -0.61 5.20 3.38 -1.36 0.28 115.31 123.20 3nnk h LEU 341 Ca 0.04 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3nnk h LEU 341 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3nnk h LEU 341 CO -0.01 0.97 0.14 0.24 0.09 0.00 0.00 178.44 179.87 3nnk h MET 342 N 0.84 0.99 0.02 1.13 2.86 -1.28 -0.34 114.93 119.16 3nnk h MET 342 Ca 0.15 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 3nnk h MET 342 Cb 0.53 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.07 3nnk h MET 342 CO 0.03 0.91 -0.49 1.25 1.06 0.00 0.00 176.91 179.66 3nnk h LEU 343 N 0.90 0.40 0.00 1.22 5.85 -1.04 0.23 115.31 122.87 3nnk h LEU 343 Ca 0.19 -0.80 -0.24 0.00 0.84 0.00 0.00 57.88 57.87 3nnk h LEU 343 Cb 0.37 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3nnk h LEU 343 CO 0.00 1.15 -1.38 -0.33 -0.34 0.00 0.00 178.44 177.54 3nnk h GLU 344 N -0.30 0.00 0.00 1.25 5.08 -1.00 -2.64 114.58 116.97 3nnk h GLU 344 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3nnk h GLU 344 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3nnk h GLU 344 CO 0.10 0.65 -1.53 -0.25 -1.00 0.00 0.00 179.01 176.98 3nnk n ASP 345 N -3.15 1.84 -0.00 1.42 9.92 -0.15 -4.64 116.55 121.79 3nnk n ASP 345 Ca -0.10 -0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 3nnk n ASP 345 Cb 0.98 1.56 -0.00 0.00 -0.64 0.00 0.00 41.12 43.02 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3nnk n PHE 346 N -1.91 0.00 -1.70 1.24 3.72 -1.02 -5.02 117.46 112.77 3nnk n PHE 346 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 3nnk n PHE 346 Cb 0.34 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.81 0.64 3.31 1.37 0.00 0.02 -4.92 105.19 107.43 3nnk n GLY 347 Ca -0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.46 3.08 -0.26 -0.61 1.01 0.60 -0.91 121.20 121.66 3nnk s ILE 348 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 3nnk s ILE 348 Cb 0.00 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3nnk s ILE 348 CO 0.00 0.48 0.55 -0.70 0.00 0.00 0.00 174.94 175.27 3nnk s GLU 349 N 1.04 4.08 0.07 2.79 2.12 -0.84 -2.52 118.70 125.44 3nnk s GLU 349 Ca -0.00 0.39 0.04 0.00 0.36 0.00 0.00 54.97 55.76 3nnk s GLU 349 Cb -0.15 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 3nnk s GLU 349 CO -0.01 -0.37 0.00 0.96 -0.54 0.00 0.00 175.26 175.30 3nnk s ILE 350 N 2.36 4.05 0.14 -3.70 -4.36 -1.26 -0.75 121.20 117.67 3nnk s ILE 350 Ca 0.23 -0.91 -0.30 0.00 -0.26 0.00 0.00 60.65 59.40 3nnk s ILE 350 Cb -0.16 -2.91 -0.07 0.00 1.25 0.00 0.00 42.46 40.58 3nnk s ILE 350 CO 0.09 0.17 1.02 -0.83 0.24 0.00 0.00 174.94 175.63 3nnk s GLY 351 N -2.17 2.93 0.60 6.27 0.00 0.23 -4.83 107.32 110.35 3nnk s GLY 351 Ca 0.25 0.68 -0.09 0.00 0.00 0.00 0.00 44.72 45.55 3nnk s GLY 351 CO 0.17 1.54 0.97 -1.08 0.00 0.00 0.00 173.10 174.70 3nnk s THR 352 N -0.10 4.35 0.01 0.90 -1.32 -1.26 -0.64 115.64 117.58 3nnk s THR 352 Ca 0.48 0.50 -0.00 0.00 -1.21 0.00 0.00 61.69 61.46 3nnk s THR 352 Cb -0.26 -3.73 -0.04 0.00 -1.51 0.00 0.00 72.50 66.97 3nnk s THR 352 CO 0.32 -0.87 0.10 -0.44 -2.21 0.00 0.00 174.62 171.51 3nnk s SER 353 N -4.22 5.76 0.01 8.08 0.01 -1.21 -4.68 113.70 117.45 3nnk s SER 353 Ca 0.54 0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.98 3nnk s SER 353 Cb -0.11 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 3nnk s SER 353 CO 0.50 0.26 -0.04 -0.36 0.41 0.00 0.00 173.24 174.01 3nnk s PHE 354 N -1.24 2.96 0.00 2.43 0.08 -1.26 -3.73 117.98 117.22 3nnk s PHE 354 Ca 0.24 0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.30 3nnk s PHE 354 Cb -0.12 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 3nnk s PHE 354 CO 0.16 0.41 0.00 0.41 -0.10 0.00 0.00 175.22 176.10 3nnk n GLY 355 N 1.43 1.16 0.00 4.36 0.00 -1.26 -4.16 105.19 106.72 3nnk n GLY 355 Ca -0.15 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.32 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 11.36 0.61 0.00 1.61 -0.04 -1.26 -2.21 135.00 145.08 3nnk n PRO 356 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3nnk n PRO 356 Cb 0.00 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.88 1.00 -4.69 1.53 4.77 -1.26 -5.00 117.00 112.47 3nnk n LEU 357 Ca 0.11 -1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 54.68 3nnk n LEU 357 Cb 0.05 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3nnk n LEU 357 CO 0.08 0.25 1.32 -2.28 -1.33 0.00 0.00 177.39 175.43 3nnk s HIS 358 N -0.41 2.42 0.00 -1.77 2.46 -0.94 -1.33 115.29 115.72 3nnk s HIS 358 Ca 0.00 0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.87 3nnk s HIS 358 Cb 0.00 -3.95 0.00 0.00 -0.13 0.00 0.00 32.58 28.50 3nnk s HIS 358 CO 0.00 -3.79 0.00 0.41 -2.47 0.00 0.00 174.74 168.89 3nnk n GLY 359 N 3.98 1.09 0.03 1.59 0.00 -1.26 -4.85 105.19 105.77 3nnk n GLY 359 Ca 0.16 0.00 -0.04 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 1.81 -4.19 1.61 4.76 -0.44 -4.75 118.16 114.96 3nnk n LYS 360 Ca 0.00 0.02 -0.18 0.00 -2.87 0.00 0.00 58.31 55.27 3nnk n LYS 360 Cb 0.00 -1.13 -0.16 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.13 0.51 0.10 -0.18 1.01 -0.80 -0.27 120.40 118.64 3nnk s VAL 361 Ca -0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3nnk s VAL 361 Cb 0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 3nnk s VAL 361 CO 0.19 0.19 0.35 0.26 0.00 0.00 0.00 175.10 176.08 3nnk s TRP 362 N 0.45 3.51 -0.28 5.22 0.51 0.13 -3.35 118.94 125.14 3nnk s TRP 362 Ca -0.06 0.57 0.01 0.00 -2.12 0.00 0.00 56.10 54.50 3nnk s TRP 362 Cb -0.09 -2.00 0.06 0.00 -0.81 0.00 0.00 33.47 30.62 3nnk s TRP 362 CO -0.00 0.49 -0.07 1.03 -0.51 0.00 0.00 176.95 177.89 3nnk s ARG 363 N -2.39 2.33 -0.29 4.98 0.52 0.19 -0.45 118.95 123.84 3nnk s ARG 363 Ca 0.37 -1.31 -0.07 0.00 -0.52 0.00 0.00 55.73 54.20 3nnk s ARG 363 Cb -0.13 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.34 3nnk s ARG 363 CO 0.23 -0.59 0.09 0.42 0.02 0.00 0.00 175.30 175.47 3nnk s ILE 364 N 1.17 4.11 0.08 1.52 1.01 -0.58 -0.60 121.20 127.91 3nnk s ILE 364 Ca -0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 3nnk s ILE 364 Cb -0.20 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 3nnk s ILE 364 CO -0.03 0.11 0.30 -0.83 0.00 0.00 0.00 174.94 174.48 3nnk s GLY 365 N 1.53 2.23 -0.50 6.18 0.00 0.87 -1.31 107.32 116.32 3nnk s GLY 365 Ca 0.03 -0.63 0.06 0.00 0.00 0.00 0.00 44.72 44.18 3nnk s GLY 365 CO 0.03 -0.54 0.54 -1.30 0.00 0.00 0.00 173.10 171.84 3nnk n THR 366 N 0.47 0.33 -4.27 0.90 -2.24 -0.13 -4.53 114.28 104.81 3nnk n THR 366 Ca -0.06 -4.33 -0.25 0.00 -2.27 0.00 0.00 64.05 57.14 3nnk n THR 366 Cb 0.52 -1.96 -0.08 0.00 -2.10 0.00 0.00 70.33 66.71 3nnk n THR 366 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 367 N -1.31 2.27 1.63 -0.78 -1.94 -1.26 -4.19 119.30 113.73 3nnk s MET 367 Ca 0.34 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.04 3nnk s MET 367 Cb 0.11 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.73 3nnk s MET 367 CO -0.11 0.41 0.00 0.41 -0.01 0.00 0.00 175.02 175.72 3nnk n GLY 368 N -0.43 2.36 0.24 -0.03 0.00 -1.26 -0.42 105.19 105.66 3nnk n GLY 368 Ca -0.09 0.37 0.03 0.00 0.00 0.00 0.00 46.02 46.33 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 0.25 -0.09 1.61 3.20 -1.83 -2.75 116.97 117.35 3nnk h TYR 369 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3nnk h TYR 369 Cb 0.00 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3nnk h TYR 369 CO 0.00 0.35 0.00 0.09 -1.64 0.00 0.00 178.16 176.96 3nnk n ASN 370 N -4.29 1.06 -4.09 -2.11 4.13 0.43 -4.46 115.26 105.93 3nnk n ASN 370 Ca -0.01 -1.55 -0.43 0.00 1.68 0.00 0.00 54.58 54.28 3nnk n ASN 370 Cb 0.25 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk n ALA 371 N -0.10 4.72 -2.73 5.41 0.00 -1.01 -4.43 120.51 122.37 3nnk n ALA 371 Ca 0.16 -3.95 -0.09 0.00 0.00 0.00 0.00 53.44 49.56 3nnk n ALA 371 Cb 0.24 -3.46 -0.10 0.00 0.00 0.00 0.00 19.45 16.14 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 3.07 0.49 0.20 0.00 0.52 -1.26 -4.87 118.95 117.09 3nnk s ARG 372 Ca 0.48 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.82 3nnk s ARG 372 Cb 0.09 0.18 0.23 0.00 0.52 0.00 0.00 34.95 35.97 3nnk s ARG 372 CO -0.01 -0.10 1.74 -0.22 0.02 0.00 0.00 175.30 176.72 3nnk h LYS 373 N 3.97 0.36 0.00 3.54 3.64 -1.97 -2.17 116.57 123.93 3nnk h LYS 373 Ca -0.32 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 3nnk h LYS 373 Cb 1.19 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3nnk h LYS 373 CO 0.49 0.24 -0.15 0.38 -2.27 0.00 0.00 179.45 178.15 3nnk h ASP 374 N 0.37 0.00 -0.02 4.20 2.03 -1.97 -0.74 116.42 120.29 3nnk h ASP 374 Ca 0.28 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.45 3nnk h ASP 374 Cb 0.33 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.84 3nnk h ASP 374 CO -0.29 0.15 -0.48 0.00 -1.03 0.00 0.00 179.24 177.59 3nnk h VAL 376 N -0.17 1.03 0.16 0.00 2.07 -0.97 -1.94 116.25 116.43 3nnk h VAL 376 Ca -0.05 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3nnk h VAL 376 Cb 1.18 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3nnk h VAL 376 CO 0.10 0.03 -0.22 0.24 0.02 0.00 0.00 177.57 177.74 3nnk h MET 377 N -0.06 -0.41 -0.83 1.57 2.07 -1.28 -0.02 114.93 115.97 3nnk h MET 377 Ca -0.00 0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.65 3nnk h MET 377 Cb 0.06 0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 29.84 3nnk h MET 377 CO 0.00 -0.28 0.51 1.15 1.07 0.00 0.00 176.91 179.36 3nnk h THR 378 N -0.43 1.23 -0.29 2.22 2.02 -1.54 -0.80 112.91 115.33 3nnk h THR 378 Ca 0.01 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 3nnk h THR 378 Cb 0.43 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3nnk h THR 378 CO -0.09 0.24 0.06 0.74 0.37 0.00 0.00 175.52 176.84 3nnk h THR 379 N 1.14 1.22 0.20 3.16 2.02 -1.17 -0.73 112.91 118.75 3nnk h THR 379 Ca 0.30 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3nnk h THR 379 Cb -0.05 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3nnk h THR 379 CO -0.06 0.25 -0.09 -0.07 0.37 0.00 0.00 175.52 175.91 3nnk h LEU 380 N 0.29 -0.22 -1.31 2.58 3.38 -0.76 -0.48 115.31 118.80 3nnk h LEU 380 Ca 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3nnk h LEU 380 Cb 0.31 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3nnk h LEU 380 CO 0.00 -0.12 0.24 0.77 0.09 0.00 0.00 178.44 179.42 3nnk h SER 381 N -0.31 0.64 -0.29 -0.43 4.64 -1.16 -1.86 113.55 114.78 3nnk h SER 381 Ca -0.03 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 3nnk h SER 381 Cb 0.24 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3nnk h SER 381 CO 0.04 0.55 -0.14 0.00 -0.87 0.00 0.00 176.83 176.41 3nnk h ALA 382 N 1.55 0.41 -0.10 5.18 0.00 -0.99 -2.74 119.26 122.58 3nnk h ALA 382 Ca 0.18 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 382 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3nnk h ALA 382 CO -0.02 0.31 0.06 1.25 0.00 0.00 0.00 179.25 180.84 3nnk h LEU 383 N 0.37 0.12 -0.52 0.00 6.46 -0.71 -2.59 115.31 118.44 3nnk h LEU 383 Ca 0.07 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3nnk h LEU 383 Cb 0.67 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 3nnk h LEU 383 CO 0.04 0.15 0.18 -0.08 -0.62 0.00 0.00 178.44 178.12 3nnk h GLU 384 N 0.08 0.80 -0.90 1.25 4.81 -1.42 -1.59 114.58 117.61 3nnk h GLU 384 Ca 0.04 -0.16 0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3nnk h GLU 384 Cb 0.06 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 3nnk h GLU 384 CO -0.01 0.73 0.58 0.00 -0.73 0.00 0.00 179.01 179.59 3nnk h ALA 385 N 1.04 1.56 -0.23 2.92 0.00 -1.44 0.17 119.26 123.26 3nnk h ALA 385 Ca 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3nnk h ALA 385 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3nnk h ALA 385 CO -0.01 0.29 -0.15 0.28 0.00 0.00 0.00 179.25 179.66 3nnk h VAL 386 N 0.97 1.31 -0.60 0.00 2.07 -1.04 -1.91 116.25 117.05 3nnk h VAL 386 Ca 0.40 -1.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 3nnk h VAL 386 Cb 0.28 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3nnk h VAL 386 CO -0.16 0.39 -0.02 -0.07 0.02 0.00 0.00 177.57 177.73 3nnk h LEU 387 N 0.22 1.05 -1.81 2.57 3.38 -0.83 0.15 115.31 120.04 3nnk h LEU 387 Ca 0.05 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3nnk h LEU 387 Cb 0.67 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3nnk h LEU 387 CO 0.04 1.10 -0.10 0.78 0.09 0.00 0.00 178.44 180.35 3nnk h ASN 388 N 0.97 0.00 0.61 -0.43 2.35 -0.69 0.42 115.58 118.80 3nnk h ASN 388 Ca 0.17 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.64 3nnk h ASN 388 Cb 0.58 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 3nnk h ASN 388 CO 0.03 0.10 -1.46 0.22 -1.65 0.00 0.00 177.43 174.68 3nnk h TYR 389 N 0.00 0.18 -0.20 1.19 5.03 -0.78 -3.27 116.97 119.12 3nnk h TYR 389 Ca -0.00 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.18 3nnk h TYR 389 Cb 0.41 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.68 3nnk h TYR 389 CO 0.00 1.16 0.00 1.28 -1.32 0.00 0.00 178.16 179.28 3nnk n LEU 390 N -3.29 2.22 -1.34 2.82 4.32 0.46 -4.89 117.00 117.30 3nnk n LEU 390 Ca -0.12 -1.12 -0.13 0.00 -0.02 0.00 0.00 56.01 54.62 3nnk n LEU 390 Cb 1.02 -0.46 -0.02 0.00 -1.62 0.00 0.00 43.42 42.34 3nnk n LEU 390 CO 0.47 0.36 -0.15 0.29 -1.22 0.00 0.00 177.39 177.14 3nnk n LYS 391 N 0.20 -0.98 -3.41 3.23 5.02 -0.91 -4.94 118.16 116.37 3nnk n LYS 391 Ca 0.09 0.68 -0.40 0.00 -2.02 0.00 0.00 58.31 56.65 3nnk n LYS 391 Cb 0.47 -4.85 -0.09 0.00 -0.02 0.00 0.00 35.03 30.54 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3nnk s PHE 392 N -2.60 3.22 0.35 2.13 5.36 0.14 -5.00 117.98 121.58 3nnk s PHE 392 Ca 0.00 0.07 -0.27 0.00 -0.96 0.00 0.00 56.93 55.77 3nnk s PHE 392 Cb 0.00 -2.64 -0.09 0.00 -0.34 0.00 0.00 43.02 39.95 3nnk s PHE 392 CO 0.00 -0.38 1.13 -2.14 -1.46 0.00 0.00 175.22 172.37 3nnk s PRO 393 N 2.02 4.32 0.03 10.12 0.02 -1.26 -3.59 135.00 146.65 3nnk s PRO 393 Ca 0.12 1.78 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 3nnk s PRO 393 Cb -0.16 -2.87 -0.02 0.00 0.02 0.00 0.00 34.50 31.47 3nnk s PRO 393 CO 0.11 -0.07 0.00 0.95 -0.33 0.00 0.00 177.00 177.67 3nnk s THR 394 N -1.35 0.13 -0.08 0.99 -4.23 -1.26 -5.00 115.64 104.83 3nnk s THR 394 Ca 0.52 -1.07 -0.30 0.00 -1.18 0.00 0.00 61.69 59.67 3nnk s THR 394 Cb -0.30 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 3nnk s THR 394 CO 0.38 -0.59 1.47 -0.89 -0.54 0.00 0.00 174.62 174.45 3nnk s THR 395 N -2.02 3.86 -0.16 3.99 2.01 -1.26 -4.91 115.64 117.15 3nnk s THR 395 Ca -0.11 1.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.68 3nnk s THR 395 Cb -0.06 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 3nnk s THR 395 CO -0.03 -0.08 2.10 -1.58 -0.69 0.00 0.00 174.62 174.34 3nnk s GLN 396 N 3.55 3.45 0.00 4.92 0.74 -1.26 -2.11 119.66 128.94 3nnk s GLN 396 Ca 0.65 2.14 0.00 0.00 0.05 0.00 0.00 55.36 58.20 3nnk s GLN 396 Cb -0.29 -4.29 0.00 0.00 1.10 0.00 0.00 33.01 29.53 3nnk s GLN 396 CO 0.24 -1.74 0.00 0.41 -0.55 0.00 0.00 175.29 173.64 3nnk n GLY 397 N 5.36 2.61 0.21 2.59 0.00 -1.26 -4.96 105.19 109.74 3nnk n GLY 397 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 0.65 -0.19 4.61 0.00 -1.74 -1.21 119.26 121.38 3nnk h ALA 398 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3nnk h ALA 398 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3nnk h ALA 398 CO 0.00 0.04 0.06 0.00 0.00 0.00 0.00 179.25 179.34 3nnk h ALA 399 N 1.21 0.25 -0.20 0.00 0.00 -1.78 -2.49 119.26 116.25 3nnk h ALA 399 Ca 0.20 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3nnk h ALA 399 Cb -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3nnk h ALA 399 CO -0.07 -0.12 -0.58 0.52 0.00 0.00 0.00 179.25 178.99 3nnk h MET 400 N 0.13 0.64 -0.38 0.00 2.86 -1.85 -2.99 114.93 113.34 3nnk h MET 400 Ca 0.06 -0.42 0.04 0.00 -2.06 0.00 0.00 59.70 57.32 3nnk h MET 400 Cb 0.24 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3nnk h MET 400 CO -0.00 1.04 0.14 0.37 1.06 0.00 0.00 176.91 179.52 3nnk h GLN 401 N 0.48 0.29 -0.68 1.72 5.75 -1.15 0.32 115.11 121.84 3nnk h GLN 401 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3nnk h GLN 401 Cb 1.15 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 3nnk h GLN 401 CO 0.11 0.19 0.39 0.00 -2.65 0.00 0.00 178.83 176.87 3nnk h ALA 402 N 1.24 0.87 -0.35 3.38 0.00 -1.45 1.17 119.26 124.11 3nnk h ALA 402 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 402 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3nnk h ALA 402 CO -0.17 0.37 0.16 0.00 0.00 0.00 0.00 179.25 179.60 3nnk h ALA 403 N 1.19 0.45 -0.83 0.00 0.00 -1.32 0.71 119.26 119.47 3nnk h ALA 403 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3nnk h ALA 403 Cb 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3nnk h ALA 403 CO -0.04 0.03 0.41 -1.49 0.00 0.00 0.00 179.25 178.16 3nnk h TRP 404 N 0.43 1.19 -0.66 0.00 6.55 0.08 -1.94 115.95 121.60 3nnk h TRP 404 Ca 0.12 -0.05 -0.02 0.00 0.95 0.00 0.00 58.89 59.88 3nnk h TRP 404 Cb 0.15 -0.37 -0.03 0.00 -0.86 0.00 0.00 29.16 28.04 3nnk h TRP 404 CO -0.01 0.86 0.33 -0.44 -1.05 0.00 0.00 178.44 178.13 3nnk h ASP 405 N 1.18 0.85 -0.39 -3.49 3.32 0.17 -2.27 116.42 115.79 3nnk h ASP 405 Ca 0.29 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3nnk h ASP 405 Cb 0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3nnk h ASP 405 CO -0.04 0.73 0.01 -0.74 -1.72 0.00 0.00 179.24 177.49 3nnk h HIS 406 N 0.91 0.75 -0.16 4.55 2.76 -0.68 -2.36 115.15 120.92 3nnk h HIS 406 Ca 0.23 -0.13 -0.10 0.00 -2.20 0.00 0.00 60.37 58.17 3nnk h HIS 406 Cb 0.10 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3nnk h HIS 406 CO 0.00 0.76 -0.34 1.88 -1.30 0.00 0.00 177.93 178.93 3nnk h TYR 407 N 0.52 0.36 -0.08 5.26 0.05 -1.28 -1.71 116.97 120.09 3nnk h TYR 407 Ca 0.11 -0.09 -0.23 0.00 0.05 0.00 0.00 58.73 58.58 3nnk h TYR 407 Cb 0.45 -0.09 0.01 0.00 1.01 0.00 0.00 36.73 38.12 3nnk h TYR 407 CO 0.04 0.62 -0.85 0.00 -1.05 0.00 0.00 178.16 176.92 3nnk h ARG 408 N 0.28 0.72 -0.67 4.88 -0.00 -1.40 -2.41 114.38 115.78 3nnk h ARG 408 Ca 0.03 -0.67 -0.03 0.00 -0.50 0.00 0.00 59.98 58.82 3nnk h ARG 408 Cb 0.73 0.16 -0.03 0.00 0.00 0.00 0.00 29.97 30.83 3nnk h ARG 408 CO 0.06 1.26 0.30 0.77 0.00 0.00 0.00 179.97 182.36 3nnk h SER 409 N 0.41 0.90 0.10 7.04 0.02 -1.36 -2.93 113.55 117.72 3nnk h SER 409 Ca -0.08 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.63 3nnk h SER 409 Cb 1.50 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3nnk h SER 409 CO 0.17 0.80 -0.29 -0.08 -1.14 0.00 0.00 176.83 176.29 3nnk h GLU 410 N 0.94 0.31 -0.01 3.45 4.57 -1.34 -3.51 114.58 118.98 3nnk h GLU 410 Ca 0.23 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3nnk h GLU 410 Cb 0.15 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3nnk h GLU 410 CO -0.02 0.58 0.00 0.54 -1.18 0.00 0.00 179.01 178.92