#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk h ILE 3 N 0.00 0.81 0.00 2.12 6.09 -2.08 -2.90 117.51 121.56 3nnk h ILE 3 Ca 0.00 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3nnk h ILE 3 Cb 0.00 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.49 3nnk h ILE 3 CO 0.00 0.09 0.00 0.71 -3.07 0.00 0.00 178.15 175.88 3nnk h THR 4 N 0.00 0.00 0.00 2.19 1.35 -2.10 -2.28 112.91 112.07 3nnk h THR 4 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3nnk h THR 4 Cb 0.19 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3nnk h THR 4 CO 0.01 0.00 -0.30 0.00 -0.25 0.00 0.00 175.52 174.99 3nnk n GLN 5 N -2.64 0.02 -2.67 4.72 10.64 -1.09 -4.56 117.38 121.80 3nnk n GLN 5 Ca 0.01 0.01 -0.42 0.00 -1.83 0.00 0.00 57.00 54.77 3nnk n GLN 5 Cb 0.26 -1.51 -0.03 0.00 -0.86 0.00 0.00 30.24 28.10 3nnk n GLN 5 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3nnk s PHE 6 N -3.01 2.55 0.93 2.61 0.40 -0.86 -5.01 117.98 115.60 3nnk s PHE 6 Ca 0.12 -0.58 -0.13 0.00 -0.60 0.00 0.00 56.93 55.74 3nnk s PHE 6 Cb 0.18 -4.54 0.21 0.00 0.51 0.00 0.00 43.02 39.38 3nnk s PHE 6 CO 0.63 -1.87 1.27 -1.13 0.70 0.00 0.00 175.22 174.82 3nnk n SER 7 N 8.50 0.43 -4.79 1.36 3.41 -1.26 -5.04 113.62 116.23 3nnk n SER 7 Ca 0.14 -1.66 -0.35 0.00 -0.26 0.00 0.00 58.87 56.74 3nnk n SER 7 Cb 0.49 -0.94 -0.02 0.00 -0.26 0.00 0.00 64.21 63.48 3nnk n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nnk s GLN 8 N -5.76 3.66 -0.12 4.33 -2.07 -1.26 -4.90 119.66 113.53 3nnk s GLN 8 Ca 0.75 1.49 -0.34 0.00 -1.82 0.00 0.00 55.36 55.43 3nnk s GLN 8 Cb -0.02 -2.11 -0.11 0.00 -1.09 0.00 0.00 33.01 29.68 3nnk s GLN 8 CO 0.52 -0.57 1.93 -0.11 -1.32 0.00 0.00 175.29 175.73 3nnk n LEU 9 N -1.01 3.32 -3.17 2.60 -0.00 -1.26 -4.91 117.00 112.56 3nnk n LEU 9 Ca 0.10 0.88 -0.20 0.00 -0.00 0.00 0.00 56.01 56.79 3nnk n LEU 9 Cb 0.51 -1.37 -0.06 0.00 -0.00 0.00 0.00 43.42 42.51 3nnk n LEU 9 CO 0.41 -0.15 -0.18 -3.20 -0.00 0.00 0.00 177.39 174.27 3nnk n ASN 10 N 7.22 -1.23 -4.77 1.96 4.05 -1.26 -5.13 115.26 116.09 3nnk n ASN 10 Ca 0.25 -2.61 -0.38 0.00 0.45 0.00 0.00 54.58 52.28 3nnk n ASN 10 Cb 0.29 0.12 -0.06 0.00 1.23 0.00 0.00 39.78 41.37 3nnk n ASN 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3nnk s PRO 11 N 0.09 4.72 0.50 1.20 0.04 -1.26 -5.03 135.00 135.26 3nnk s PRO 11 Ca 0.33 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 3nnk s PRO 11 Cb 0.06 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 3nnk s PRO 11 CO -0.15 0.40 1.21 -1.25 0.04 0.00 0.00 177.00 177.24 3nnk s PRO 12 N -1.61 3.51 0.11 0.56 0.04 -1.26 -4.96 135.00 131.39 3nnk s PRO 12 Ca 0.45 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 63.04 3nnk s PRO 12 Cb -0.22 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 3nnk s PRO 12 CO 0.28 -0.78 1.54 0.45 0.04 0.00 0.00 177.00 178.53 3nnk s SER 13 N -1.34 6.67 -0.00 6.66 0.15 -1.26 -5.01 113.70 119.57 3nnk s SER 13 Ca 0.67 2.46 0.01 0.00 0.70 0.00 0.00 55.95 59.80 3nnk s SER 13 Cb -0.31 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.42 3nnk s SER 13 CO 0.36 -0.80 -0.03 -0.13 1.20 0.00 0.00 173.24 173.85 3nnk s ARG 14 N 1.73 0.28 -0.41 5.44 1.81 -1.26 -4.87 118.95 121.66 3nnk s ARG 14 Ca 0.69 -0.11 -0.18 0.00 -1.72 0.00 0.00 55.73 54.42 3nnk s ARG 14 Cb -0.40 -0.28 0.02 0.00 -0.45 0.00 0.00 34.95 33.84 3nnk s ARG 14 CO 0.31 0.06 0.49 -1.17 -0.68 0.00 0.00 175.30 174.31 3nnk s LEU 15 N -0.00 4.67 -0.68 2.53 2.96 0.44 -4.90 118.68 123.69 3nnk s LEU 15 Ca 0.00 -0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 53.26 3nnk s LEU 15 Cb -0.02 -2.49 0.11 0.00 0.50 0.00 0.00 46.19 44.29 3nnk s LEU 15 CO -0.00 -0.59 0.83 -0.76 -1.32 0.00 0.00 176.35 174.50 3nnk s LEU 16 N 2.32 5.29 -0.36 -0.68 1.43 -1.26 -0.14 118.68 125.29 3nnk s LEU 16 Ca 0.15 -1.58 0.06 0.00 -1.03 0.00 0.00 54.13 51.73 3nnk s LEU 16 Cb -0.16 -2.33 0.45 0.00 0.03 0.00 0.00 46.19 44.18 3nnk s LEU 16 CO 0.15 -1.11 1.28 0.23 0.23 0.00 0.00 176.35 177.12 3nnk n MET 17 N 6.39 3.49 0.00 1.70 2.81 0.28 -4.51 117.12 127.28 3nnk n MET 17 Ca -0.01 -4.12 0.00 0.00 -1.81 0.00 0.00 57.70 51.76 3nnk n MET 17 Cb 0.44 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.68 3nnk n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nnk n GLY 18 N -0.69 3.60 0.85 3.03 0.00 -1.10 -0.62 105.19 110.25 3nnk n GLY 18 Ca 0.45 -1.87 0.03 0.00 0.00 0.00 0.00 46.02 44.64 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 2.18 0.00 1.61 -0.04 -1.26 -2.40 135.00 135.09 3nnk n PRO 19 Ca 0.00 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 3nnk n PRO 19 Cb 0.00 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 3nnk n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nnk n GLY 20 N 0.48 1.40 3.81 0.55 0.00 -1.26 -5.00 105.19 105.17 3nnk n GLY 20 Ca 0.10 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 3nnk n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 21 N -3.84 3.94 0.37 1.61 0.04 -1.26 -5.12 135.00 130.74 3nnk s PRO 21 Ca 0.00 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.37 3nnk s PRO 21 Cb 0.00 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3nnk s PRO 21 CO 0.00 -0.30 0.16 0.96 0.04 0.00 0.00 177.00 177.86 3nnk s ILE 22 N -2.09 2.67 0.25 0.56 -5.25 -1.11 -4.87 121.20 111.35 3nnk s ILE 22 Ca 0.65 -1.70 -0.31 0.00 -0.99 0.00 0.00 60.65 58.30 3nnk s ILE 22 Cb -0.13 -2.97 -0.14 0.00 2.95 0.00 0.00 42.46 42.17 3nnk s ILE 22 CO 0.18 -0.10 1.32 0.59 -1.79 0.00 0.00 174.94 175.14 3nnk n ASN 23 N -1.19 2.42 -4.82 4.36 4.13 -1.26 -4.88 115.26 114.02 3nnk n ASN 23 Ca -0.02 1.15 -0.33 0.00 1.68 0.00 0.00 54.58 57.07 3nnk n ASN 23 Cb 0.63 -1.39 -0.05 0.00 -1.54 0.00 0.00 39.78 37.42 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 -0.31 2.99 0.18 5.41 0.00 -1.26 -4.56 121.76 124.20 3nnk s ALA 24 Ca 0.66 0.39 -0.32 0.00 0.00 0.00 0.00 51.96 52.70 3nnk s ALA 24 Cb -0.67 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 3nnk s ALA 24 CO 0.53 -0.10 1.59 0.34 0.00 0.00 0.00 175.76 178.12 3nnk s ASP 25 N -2.37 6.55 0.57 0.00 -1.08 -0.71 -4.91 116.67 114.73 3nnk s ASP 25 Ca 0.62 2.67 0.27 0.00 -0.52 0.00 0.00 52.55 55.59 3nnk s ASP 25 Cb -0.11 -2.60 1.54 0.00 -1.46 0.00 0.00 42.92 40.29 3nnk s ASP 25 CO 0.20 -0.85 2.05 -0.65 0.52 0.00 0.00 175.17 176.44 3nnk h PRO 26 N 6.69 0.00 -0.53 4.34 0.11 -1.95 -0.88 132.00 139.78 3nnk h PRO 26 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 3nnk h PRO 26 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3nnk h PRO 26 CO 0.91 0.00 0.03 0.00 -0.21 0.00 0.00 178.00 178.73 3nnk h ARG 27 N 0.00 0.91 -0.30 1.05 -0.00 -1.96 -2.73 114.38 111.35 3nnk h ARG 27 Ca 0.14 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.98 59.34 3nnk h ARG 27 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.56 3nnk h ARG 27 CO -0.00 0.92 0.16 0.28 0.00 0.00 0.00 179.97 181.33 3nnk h VAL 28 N 0.79 1.13 -0.01 2.04 2.07 -1.47 -1.65 116.25 119.14 3nnk h VAL 28 Ca 0.15 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3nnk h VAL 28 Cb 0.49 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3nnk h VAL 28 CO 0.02 0.13 -0.06 -0.07 0.02 0.00 0.00 177.57 177.61 3nnk h LEU 29 N 0.37 0.01 -0.34 2.57 3.38 -1.53 -2.22 115.31 117.55 3nnk h LEU 29 Ca 0.11 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 3nnk h LEU 29 Cb 0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3nnk h LEU 29 CO -0.02 0.08 -0.84 0.03 0.09 0.00 0.00 178.44 177.79 3nnk h ARG 30 N 0.02 0.12 0.00 1.13 3.08 -1.10 -3.07 114.38 114.56 3nnk h ARG 30 Ca 0.00 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3nnk h ARG 30 Cb 0.12 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3nnk h ARG 30 CO 0.01 0.89 -0.20 0.00 -1.07 0.00 0.00 179.97 179.59 3nnk h ALA 31 N 1.07 1.12 0.00 0.04 0.00 -0.71 -3.13 119.26 117.66 3nnk h ALA 31 Ca -0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 3nnk h ALA 31 Cb 1.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3nnk h ALA 31 CO 0.12 0.25 -0.56 0.52 0.00 0.00 0.00 179.25 179.58 3nnk h MET 32 N 0.00 0.00 0.00 0.00 2.86 -1.39 -3.10 114.93 113.29 3nnk h MET 32 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3nnk h MET 32 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3nnk h MET 32 CO 0.03 0.56 0.00 -1.13 1.06 0.00 0.00 176.91 177.42 3nnk n SER 33 N -3.26 0.00 -4.76 1.22 3.41 -1.18 -4.88 113.62 104.17 3nnk n SER 33 Ca 0.02 0.17 -0.36 0.00 -0.26 0.00 0.00 58.87 58.43 3nnk n SER 33 Cb 0.75 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 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 -2.73 5.36 0.58 4.04 0.15 -1.17 -5.00 113.70 114.94 3nnk s SER 34 Ca 0.17 2.34 -0.18 0.00 0.70 0.00 0.00 55.95 58.97 3nnk s SER 34 Cb 0.14 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 3nnk s SER 34 CO 0.35 -1.47 1.12 -1.10 1.20 0.00 0.00 173.24 173.34 3nnk s GLN 35 N -3.29 3.15 0.69 5.44 -0.21 -1.26 -4.97 119.66 119.20 3nnk s GLN 35 Ca 0.76 1.54 -0.07 0.00 0.02 0.00 0.00 55.36 57.60 3nnk s GLN 35 Cb -0.29 -1.98 0.05 0.00 1.00 0.00 0.00 33.01 31.78 3nnk s GLN 35 CO 0.32 -1.00 1.01 -0.51 -2.12 0.00 0.00 175.29 172.99 3nnk s LEU 36 N -4.18 2.89 0.33 2.90 1.43 -1.26 -5.07 118.68 115.72 3nnk s LEU 36 Ca 0.71 0.60 0.04 0.00 -1.03 0.00 0.00 54.13 54.44 3nnk s LEU 36 Cb -0.23 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 3nnk s LEU 36 CO 0.32 -1.48 0.17 0.27 0.23 0.00 0.00 176.35 175.86 3nnk s ILE 37 N -3.22 0.36 0.65 -0.59 -0.00 -1.26 -5.16 121.20 111.98 3nnk s ILE 37 Ca 0.59 -2.00 -0.16 0.00 -0.00 0.00 0.00 60.65 59.07 3nnk s ILE 37 Cb -0.11 -2.49 -0.00 0.00 -0.00 0.00 0.00 42.46 39.86 3nnk s ILE 37 CO 0.46 0.00 1.16 -0.83 -0.00 0.00 0.00 174.94 175.73 3nnk s GLY 38 N -3.42 2.40 0.28 6.27 0.00 -1.26 -4.94 107.32 106.65 3nnk s GLY 38 Ca 0.34 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.85 3nnk s GLY 38 CO 0.18 1.15 1.82 -1.61 0.00 0.00 0.00 173.10 174.65 3nnk h GLN 39 N 0.28 0.91 -0.29 2.90 4.15 -2.01 -2.66 115.11 118.39 3nnk h GLN 39 Ca -0.48 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 58.74 3nnk h GLN 39 Cb 1.27 -0.20 -0.09 0.00 0.21 0.00 0.00 27.48 28.67 3nnk h GLN 39 CO 0.53 0.60 -0.15 0.66 -1.93 0.00 0.00 178.83 178.55 3nnk n TYR 40 N -4.66 0.90 -2.44 3.99 4.01 -1.26 -4.66 117.16 113.03 3nnk n TYR 40 Ca 0.19 -1.56 -0.41 0.00 -0.16 0.00 0.00 57.90 55.97 3nnk n TYR 40 Cb 0.39 -0.45 -0.04 0.00 -0.31 0.00 0.00 39.34 38.94 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 -2.64 7.19 0.58 7.72 -1.08 -1.00 -4.91 116.67 122.53 3nnk s ASP 41 Ca 0.43 2.22 0.30 0.00 -0.52 0.00 0.00 52.55 54.98 3nnk s ASP 41 Cb 0.40 -2.61 1.40 0.00 -1.46 0.00 0.00 42.92 40.65 3nnk s ASP 41 CO -0.01 -0.26 1.79 -0.65 0.52 0.00 0.00 175.17 176.55 3nnk h PRO 42 N 4.70 0.00 -0.13 4.34 0.11 -1.95 0.12 132.00 139.19 3nnk h PRO 42 Ca -0.45 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3nnk h PRO 42 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3nnk h PRO 42 CO 0.71 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 178.09 3nnk h ALA 43 N 1.30 0.23 -0.28 -0.75 0.00 -1.94 -2.63 119.26 115.19 3nnk h ALA 43 Ca 0.33 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 43 Cb 1.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3nnk h ALA 43 CO -0.00 0.34 0.12 1.98 0.00 0.00 0.00 179.25 181.68 3nnk h MET 44 N 0.12 0.41 -0.03 0.00 -1.53 -1.05 -0.38 114.93 112.47 3nnk h MET 44 Ca -0.01 -0.07 -0.11 0.00 -3.44 0.00 0.00 59.70 56.06 3nnk h MET 44 Cb 1.03 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 32.00 3nnk h MET 44 CO 0.09 0.43 -0.50 1.79 0.14 0.00 0.00 176.91 178.85 3nnk h THR 45 N 0.30 1.36 -0.28 -0.77 1.35 -1.51 -1.67 112.91 111.68 3nnk h THR 45 Ca 0.09 -1.74 -0.19 0.00 -0.55 0.00 0.00 66.41 64.03 3nnk h THR 45 Cb 0.16 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3nnk h THR 45 CO -0.01 0.50 -0.56 -0.74 -0.25 0.00 0.00 175.52 174.47 3nnk h HIS 46 N 0.06 1.10 -0.18 4.73 6.17 -1.30 -2.14 115.15 123.58 3nnk h HIS 46 Ca -0.00 -0.39 -0.06 0.00 0.71 0.00 0.00 60.37 60.63 3nnk h HIS 46 Cb 0.91 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.62 3nnk h HIS 46 CO 0.00 1.22 -0.14 1.88 0.71 0.00 0.00 177.93 181.61 3nnk h TYR 47 N 0.67 0.31 -0.51 5.26 0.99 -0.89 -0.18 116.97 122.61 3nnk h TYR 47 Ca 0.01 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.63 3nnk h TYR 47 Cb 1.16 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 38.79 3nnk h TYR 47 CO 0.07 0.43 0.04 0.52 -0.00 0.00 0.00 178.16 179.23 3nnk h MET 48 N 0.27 0.87 -0.11 4.88 2.86 -1.21 -1.17 114.93 121.32 3nnk h MET 48 Ca 0.05 -0.25 -0.10 0.00 -2.06 0.00 0.00 59.70 57.34 3nnk h MET 48 Cb 0.43 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3nnk h MET 48 CO 0.03 0.88 -0.38 -0.91 1.06 0.00 0.00 176.91 177.58 3nnk h ASN 49 N 0.74 0.24 -0.46 1.22 -0.26 -0.99 -1.90 115.58 114.16 3nnk h ASN 49 Ca 0.15 -0.09 -0.08 0.00 -0.56 0.00 0.00 56.30 55.72 3nnk h ASN 49 Cb 0.46 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.64 3nnk h ASN 49 CO 0.02 0.60 -0.02 -0.33 -1.06 0.00 0.00 177.43 176.64 3nnk h GLU 50 N 0.19 0.83 -0.80 0.81 5.08 -0.91 -2.35 114.58 117.44 3nnk h GLU 50 Ca 0.02 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3nnk h GLU 50 Cb 0.77 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3nnk h GLU 50 CO 0.06 0.89 0.45 0.28 -1.00 0.00 0.00 179.01 179.69 3nnk h VAL 51 N 0.68 1.24 0.01 3.13 2.07 -0.96 0.14 116.25 122.55 3nnk h VAL 51 Ca 0.13 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3nnk h VAL 51 Cb 0.53 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3nnk h VAL 51 CO 0.03 0.26 -0.00 0.24 0.02 0.00 0.00 177.57 178.12 3nnk h MET 52 N 1.11 -0.01 -0.55 1.57 2.86 -1.31 -1.73 114.93 116.87 3nnk h MET 52 Ca 0.28 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.96 3nnk h MET 52 Cb 0.02 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 3nnk h MET 52 CO -0.05 0.01 0.31 0.00 1.06 0.00 0.00 176.91 178.25 3nnk h ALA 53 N 0.96 0.71 -0.12 6.32 0.00 -1.11 -2.90 119.26 123.13 3nnk h ALA 53 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3nnk h ALA 53 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3nnk h ALA 53 CO 0.00 0.00 0.05 -0.07 0.00 0.00 0.00 179.25 179.24 3nnk h LEU 54 N 0.61 0.16 -0.92 0.00 3.38 -0.52 -3.07 115.31 114.96 3nnk h LEU 54 Ca 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3nnk h LEU 54 Cb 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3nnk h LEU 54 CO -0.13 0.27 0.00 1.88 0.09 0.00 0.00 178.44 180.55 3nnk h TYR 55 N 0.05 0.00 -0.67 1.13 0.05 -1.33 -1.64 116.97 114.56 3nnk h TYR 55 Ca 0.04 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 3nnk h TYR 55 Cb 0.15 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 3nnk h TYR 55 CO -0.02 0.00 0.32 0.00 -1.05 0.00 0.00 178.16 177.41 3nnk h ARG 56 N 0.00 0.95 -0.27 4.88 3.08 -1.41 0.15 114.38 121.76 3nnk h ARG 56 Ca 0.00 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 3nnk h ARG 56 Cb 0.61 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3nnk h ARG 56 CO 0.00 0.74 -0.42 0.78 -1.07 0.00 0.00 179.97 180.01 3nnk h GLY 57 N 1.02 0.70 0.83 0.04 0.00 -1.29 -0.26 103.07 104.12 3nnk h GLY 57 Ca 0.23 -0.72 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 3nnk h GLY 57 CO -0.03 0.65 -0.34 -2.08 0.00 0.00 0.00 176.54 174.74 3nnk h VAL 58 N 0.53 1.36 0.00 4.60 2.07 -1.16 -3.18 116.25 120.47 3nnk h VAL 58 Ca 0.04 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 3nnk h VAL 58 Cb 0.94 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3nnk h VAL 58 CO 0.09 0.49 -0.03 -0.26 0.02 0.00 0.00 177.57 177.87 3nnk h PHE 59 N 0.11 0.00 -5.26 1.57 0.04 -0.76 -3.46 116.94 109.18 3nnk h PHE 59 Ca -0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 3nnk h PHE 59 Cb 0.95 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.15 3nnk h PHE 59 CO 0.10 0.03 -0.23 0.54 -0.60 0.00 0.00 178.31 178.15 3nnk n ARG 60 N -3.12 -1.50 -3.85 1.51 5.12 -0.45 -2.82 116.66 111.55 3nnk n ARG 60 Ca 0.02 1.27 -0.09 0.00 -1.93 0.00 0.00 57.85 57.11 3nnk n ARG 60 Cb 0.39 -5.56 -0.06 0.00 -1.16 0.00 0.00 32.46 26.07 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 -3.10 0.09 -0.18 0.55 -1.32 -0.24 -2.94 115.64 108.50 3nnk s THR 61 Ca 0.12 -1.13 0.02 0.00 -1.21 0.00 0.00 61.69 59.49 3nnk s THR 61 Cb -0.02 -1.53 0.06 0.00 -1.51 0.00 0.00 72.50 69.50 3nnk s THR 61 CO 0.71 -0.41 1.04 -0.62 -2.21 0.00 0.00 174.62 173.12 3nnk n GLU 62 N -0.17 2.90 -1.64 7.08 1.02 -1.26 -4.60 120.64 123.97 3nnk n GLU 62 Ca -0.12 -1.59 -0.46 0.00 -0.02 0.00 0.00 57.16 54.98 3nnk n GLU 62 Cb 0.63 -1.05 -0.04 0.00 -0.02 0.00 0.00 31.44 30.95 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 -0.29 3.53 -0.29 1.62 3.02 -1.26 -4.87 115.26 116.71 3nnk n ASN 63 Ca 0.02 0.76 -0.00 0.00 -0.03 0.00 0.00 54.58 55.33 3nnk n ASN 63 Cb 0.28 -1.44 0.06 0.00 -0.61 0.00 0.00 39.78 38.07 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 11.03 -0.04 -4.07 3.52 2.43 -1.96 -3.22 114.38 122.07 3nnk h ARG 64 Ca -0.46 0.00 -0.75 0.00 -0.81 0.00 0.00 59.98 57.96 3nnk h ARG 64 Cb 1.26 0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 30.64 3nnk h ARG 64 CO 0.95 -0.03 1.49 0.91 -1.51 0.00 0.00 179.97 181.78 3nnk n TRP 65 N -5.50 4.07 -4.04 2.20 7.02 -1.26 -4.89 117.44 115.05 3nnk n TRP 65 Ca 0.10 -3.15 -0.34 0.00 -1.02 0.00 0.00 57.50 53.09 3nnk n TRP 65 Cb 0.40 -2.00 -0.15 0.00 -2.42 0.00 0.00 31.31 27.14 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 0.59 2.56 0.01 -0.99 2.01 -1.22 -1.12 115.64 117.48 3nnk s THR 66 Ca 0.40 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 3nnk s THR 66 Cb 0.02 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.39 3nnk s THR 66 CO 0.00 0.47 0.02 1.15 -0.69 0.00 0.00 174.62 175.57 3nnk n MET 67 N 4.68 0.02 -4.53 4.92 0.00 -0.10 -4.40 117.12 117.71 3nnk n MET 67 Ca -0.20 -0.05 -0.32 0.00 0.00 0.00 0.00 57.70 57.13 3nnk n MET 67 Cb 0.50 0.06 -0.11 0.00 0.00 0.00 0.00 33.22 33.67 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 3.11 -0.21 3.17 1.43 -1.26 0.14 118.68 125.06 3nnk s LEU 68 Ca 0.00 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3nnk s LEU 68 Cb -0.00 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3nnk s LEU 68 CO 0.00 0.30 0.03 -0.69 0.23 0.00 0.00 176.35 176.23 3nnk s VAL 69 N -0.94 4.23 -0.76 -1.59 1.01 0.12 -4.92 120.40 117.56 3nnk s VAL 69 Ca 0.16 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 3nnk s VAL 69 Cb -0.11 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.37 3nnk s VAL 69 CO 0.06 0.41 1.33 -1.81 0.00 0.00 0.00 175.10 175.09 3nnk s ASP 70 N 1.02 6.13 0.00 3.32 -0.00 -1.26 -0.40 116.67 125.48 3nnk s ASP 70 Ca 0.03 -0.48 0.00 0.00 -0.00 0.00 0.00 52.55 52.09 3nnk s ASP 70 Cb -0.14 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.22 3nnk s ASP 70 CO 0.02 -1.85 0.00 0.61 -0.00 0.00 0.00 175.17 173.95 3nnk n GLY 71 N 5.53 1.93 3.58 0.21 0.00 -0.37 -4.98 105.19 111.09 3nnk n GLY 71 Ca 0.07 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 3nnk n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nnk s THR 72 N -1.98 1.99 0.23 2.61 -4.23 -1.26 -2.14 115.64 110.87 3nnk s THR 72 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 3nnk s THR 72 Cb 0.00 -2.30 0.28 0.00 1.34 0.00 0.00 72.50 71.82 3nnk s THR 72 CO 0.00 0.00 1.62 0.28 -0.54 0.00 0.00 174.62 175.98 3nnk h SER 73 N -2.29 -0.51 0.18 3.99 0.02 -1.79 0.15 113.55 113.29 3nnk h SER 73 Ca -0.58 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3nnk h SER 73 Cb 1.34 0.39 0.00 0.00 0.14 0.00 0.00 62.40 64.27 3nnk h SER 73 CO 0.54 -0.21 0.00 -2.11 -1.14 0.00 0.00 176.83 173.92 3nnk n ARG 74 N -5.41 0.32 0.08 3.45 1.85 -1.26 -1.90 116.66 113.78 3nnk n ARG 74 Ca 0.11 0.09 -0.22 0.00 -1.00 0.00 0.00 57.85 56.83 3nnk n ARG 74 Cb 0.41 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.17 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 2.81 -0.02 -0.04 2.89 0.00 -1.00 -2.29 119.26 121.60 3nnk h ALA 75 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 54.91 53.91 3nnk h ALA 75 Cb 0.09 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3nnk h ALA 75 CO 0.00 0.67 -0.42 0.78 0.00 0.00 0.00 179.25 180.28 3nnk h GLY 76 N 0.05 0.10 0.88 0.00 0.00 -1.41 0.33 103.07 103.01 3nnk h GLY 76 Ca -0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3nnk h GLY 76 CO 0.18 0.08 0.05 -2.22 0.00 0.00 0.00 176.54 174.63 3nnk h ILE 77 N 0.07 1.22 0.02 2.60 2.04 -1.55 -2.78 117.51 119.13 3nnk h ILE 77 Ca 0.00 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3nnk h ILE 77 Cb 0.78 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3nnk h ILE 77 CO 0.06 0.24 -0.01 -0.08 0.00 0.00 0.00 178.15 178.36 3nnk h GLU 78 N 0.26 -0.02 -0.83 2.37 4.81 -1.02 -2.24 114.58 117.92 3nnk h GLU 78 Ca 0.08 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.51 3nnk h GLU 78 Cb 0.31 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.58 3nnk h GLU 78 CO 0.00 0.29 0.26 0.00 -0.73 0.00 0.00 179.01 178.83 3nnk h ALA 79 N 0.64 1.19 -0.17 2.92 0.00 -0.41 0.41 119.26 123.84 3nnk h ALA 79 Ca -0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3nnk h ALA 79 Cb 0.32 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3nnk h ALA 79 CO 0.00 -0.37 0.00 0.82 0.00 0.00 0.00 179.25 179.71 3nnk h ILE 80 N 0.30 1.25 -0.48 0.00 2.04 -1.44 -2.51 117.51 116.66 3nnk h ILE 80 Ca 0.50 -0.84 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 3nnk h ILE 80 Cb 0.92 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3nnk h ILE 80 CO -0.56 0.25 -0.14 -0.07 0.00 0.00 0.00 178.15 177.64 3nnk h LEU 81 N 0.05 0.96 -1.19 1.44 3.38 -0.49 -0.40 115.31 119.06 3nnk h LEU 81 Ca 0.05 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 3nnk h LEU 81 Cb 0.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3nnk h LEU 81 CO 0.01 1.11 -0.00 0.58 0.09 0.00 0.00 178.44 180.22 3nnk h VAL 82 N 0.79 1.20 0.00 1.22 2.07 -0.32 -0.39 116.25 120.82 3nnk h VAL 82 Ca 0.12 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3nnk h VAL 82 Cb 0.70 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3nnk h VAL 82 CO 0.05 0.28 -0.23 0.28 0.02 0.00 0.00 177.57 177.98 3nnk h SER 83 N 0.53 0.00 0.07 0.57 0.02 -1.17 -3.35 113.55 110.23 3nnk h SER 83 Ca 0.11 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.72 3nnk h SER 83 Cb 0.35 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 3nnk h SER 83 CO 0.01 0.15 -2.28 0.00 -1.14 0.00 0.00 176.83 173.58 3nnk n ALA 84 N -2.15 1.54 -2.56 3.77 0.00 -0.18 -4.56 120.51 116.37 3nnk n ALA 84 Ca 0.03 -1.23 -0.41 0.00 0.00 0.00 0.00 53.44 51.83 3nnk n ALA 84 Cb 0.60 -0.30 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.54 5.18 0.32 0.00 1.01 -0.18 -5.03 121.20 119.97 3nnk s ILE 85 Ca -0.09 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 59.97 3nnk s ILE 85 Cb 0.07 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 3nnk s ILE 85 CO 0.83 -0.07 0.91 -0.13 0.00 0.00 0.00 174.94 176.48 3nnk s ARG 86 N 1.70 4.47 -0.10 2.79 3.00 -1.26 -4.84 118.95 124.70 3nnk s ARG 86 Ca 0.06 1.21 -0.34 0.00 0.00 0.00 0.00 55.73 56.66 3nnk s ARG 86 Cb -0.18 -2.71 -0.11 0.00 0.00 0.00 0.00 34.95 31.95 3nnk s ARG 86 CO 0.10 0.25 1.91 -2.30 0.00 0.00 0.00 175.30 175.26 3nnk n PRO 87 N 0.38 2.14 0.00 3.54 -0.02 -1.26 -1.62 135.00 138.16 3nnk n PRO 87 Ca 0.02 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3nnk n PRO 87 Cb 0.51 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3nnk n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nnk n GLY 88 N 4.57 1.63 3.61 -1.23 0.00 -0.82 -4.99 105.19 107.96 3nnk n GLY 88 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3nnk n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nnk n ASP 89 N 0.00 1.30 -4.84 1.61 8.00 -0.64 -4.21 116.55 117.77 3nnk n ASP 89 Ca 0.00 1.07 -0.34 0.00 0.71 0.00 0.00 54.79 56.23 3nnk n ASP 89 Cb 0.00 -1.34 -0.06 0.00 -0.02 0.00 0.00 41.12 39.70 3nnk n ASP 89 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3nnk s LYS 90 N -1.89 4.08 -0.01 -1.24 1.02 -1.26 -0.93 119.74 119.51 3nnk s LYS 90 Ca 0.62 0.70 0.00 0.00 0.02 0.00 0.00 55.97 57.31 3nnk s LYS 90 Cb -0.59 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 3nnk s LYS 90 CO 0.58 0.30 0.01 0.08 -0.92 0.00 0.00 175.35 175.39 3nnk s VAL 91 N -1.73 0.02 -0.22 3.17 1.01 -0.50 -2.02 120.40 120.14 3nnk s VAL 91 Ca 0.47 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 3nnk s VAL 91 Cb -0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 3nnk s VAL 91 CO 0.19 0.05 -0.03 -0.22 0.00 0.00 0.00 175.10 175.09 3nnk s LEU 92 N 0.40 2.99 -0.30 3.92 2.96 -0.63 -0.56 118.68 127.45 3nnk s LEU 92 Ca -0.03 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3nnk s LEU 92 Cb -0.05 -1.76 0.06 0.00 0.50 0.00 0.00 46.19 44.94 3nnk s LEU 92 CO -0.01 -0.00 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.32 3nnk s VAL 93 N 1.37 2.70 -0.53 1.68 1.01 -0.86 0.07 120.40 125.84 3nnk s VAL 93 Ca 0.04 -1.62 -0.27 0.00 0.00 0.00 0.00 61.98 60.13 3nnk s VAL 93 Cb -0.14 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3nnk s VAL 93 CO -0.02 -0.19 1.69 -2.84 0.00 0.00 0.00 175.10 173.75 3nnk s PRO 94 N 1.16 3.02 -0.27 2.72 0.02 -1.23 -2.60 135.00 137.82 3nnk s PRO 94 Ca -0.03 0.74 -0.15 0.00 0.02 0.00 0.00 61.00 61.57 3nnk s PRO 94 Cb -0.20 -4.25 -0.03 0.00 0.02 0.00 0.00 34.50 30.03 3nnk s PRO 94 CO -0.03 -2.26 0.40 0.08 -0.33 0.00 0.00 177.00 174.85 3nnk s VAL 95 N 7.55 5.15 -0.01 3.83 1.01 -0.56 -4.59 120.40 132.77 3nnk s VAL 95 Ca 0.65 0.61 0.02 0.00 0.00 0.00 0.00 61.98 63.26 3nnk s VAL 95 Cb -0.14 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.54 3nnk s VAL 95 CO 0.25 0.13 0.81 2.22 0.00 0.00 0.00 175.10 178.51 3nnk n PHE 96 N 5.38 0.00 -3.69 5.22 1.16 -1.26 -3.14 117.46 121.12 3nnk n PHE 96 Ca -0.08 -0.28 -0.00 0.00 -1.87 0.00 0.00 57.45 55.22 3nnk n PHE 96 Cb 0.50 -0.04 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 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 -0.33 0.87 0.33 4.97 0.00 -1.26 -4.44 105.19 105.32 3nnk n GLY 97 Ca 0.02 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 0.45 0.00 1.61 1.12 -1.96 -2.66 114.38 112.94 3nnk h ARG 98 Ca -0.04 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 3nnk h ARG 98 Cb 0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 3nnk h ARG 98 CO 0.06 0.30 -0.32 1.19 -3.11 0.00 0.00 179.97 178.08 3nnk n PHE 99 N -4.48 0.30 0.04 2.20 3.72 -1.26 -2.76 117.46 115.23 3nnk n PHE 99 Ca 0.06 0.09 -0.04 0.00 -0.05 0.00 0.00 57.45 57.50 3nnk n PHE 99 Cb 0.19 -0.54 0.17 0.00 -0.94 0.00 0.00 39.48 38.37 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 4.79 0.45 1.81 1.37 0.00 -1.81 -2.88 103.07 106.79 3nnk h GLY 100 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 3nnk h GLY 100 CO 0.00 0.38 -0.45 0.45 0.00 0.00 0.00 176.54 176.92 3nnk h HIS 101 N 0.35 0.26 -0.01 5.60 3.86 -1.58 -2.79 115.15 120.82 3nnk h HIS 101 Ca 0.03 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3nnk h HIS 101 Cb 0.83 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.24 3nnk h HIS 101 CO 0.02 0.63 0.00 1.25 0.86 0.00 0.00 177.93 180.70 3nnk h LEU 102 N 0.18 0.02 -1.53 2.43 5.85 -1.48 -2.02 115.31 118.75 3nnk h LEU 102 Ca 0.01 -0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.65 3nnk h LEU 102 Cb 0.88 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 3nnk h LEU 102 CO 0.07 0.24 0.51 -0.07 -0.34 0.00 0.00 178.44 178.84 3nnk h LEU 103 N -0.21 0.44 -0.23 2.25 3.38 -1.50 -0.55 115.31 118.89 3nnk h LEU 103 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3nnk h LEU 103 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3nnk h LEU 103 CO 0.00 0.23 0.06 0.00 0.09 0.00 0.00 178.44 178.82 3nnk h GLU 105 N 0.20 0.03 -0.78 0.00 4.39 -0.55 -0.78 114.58 117.10 3nnk h GLU 105 Ca 0.07 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.84 3nnk h GLU 105 Cb 0.27 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 3nnk h GLU 105 CO -0.00 0.18 0.46 0.82 -1.16 0.00 0.00 179.01 179.31 3nnk h ILE 106 N -0.12 0.98 -0.23 3.13 2.04 -1.17 -0.35 117.51 121.80 3nnk h ILE 106 Ca 0.01 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 3nnk h ILE 106 Cb 0.16 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3nnk h ILE 106 CO -0.00 0.15 -0.21 0.00 0.00 0.00 0.00 178.15 178.09 3nnk h ALA 107 N 1.40 1.21 -0.29 1.87 0.00 -1.16 -1.48 119.26 120.80 3nnk h ALA 107 Ca 0.35 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3nnk h ALA 107 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3nnk h ALA 107 CO -0.19 0.51 -0.04 -0.09 0.00 0.00 0.00 179.25 179.44 3nnk h ARG 108 N 0.38 0.54 0.00 0.00 2.43 -0.13 -1.50 114.38 116.10 3nnk h ARG 108 Ca 0.06 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3nnk h ARG 108 Cb 0.59 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3nnk h ARG 108 CO 0.04 0.71 -0.08 0.00 -1.51 0.00 0.00 179.97 179.13 3nnk h ARG 109 N 0.31 0.00 0.00 0.20 2.47 -0.98 0.18 114.38 116.56 3nnk h ARG 109 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3nnk h ARG 109 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3nnk h ARG 109 CO 0.02 0.08 0.00 0.00 0.56 0.00 0.00 179.97 180.63 3nnk n ARG 111 N -1.85 0.00 -1.86 0.00 1.74 0.05 -4.34 116.66 110.41 3nnk n ARG 111 Ca 0.06 0.36 -0.32 0.00 -0.77 0.00 0.00 57.85 57.19 3nnk n ARG 111 Cb 0.37 -2.99 0.02 0.00 -1.02 0.00 0.00 32.46 28.84 3nnk n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk s ALA 112 N -2.00 2.82 -0.30 7.54 0.00 -0.60 -1.94 121.76 127.29 3nnk s ALA 112 Ca 0.00 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 3nnk s ALA 112 Cb 0.00 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3nnk s ALA 112 CO 0.00 -0.89 0.90 -2.00 0.00 0.00 0.00 175.76 173.77 3nnk s GLU 113 N -4.69 4.04 -0.37 0.00 2.12 -0.11 -4.64 118.70 115.05 3nnk s GLU 113 Ca 0.59 0.82 -0.14 0.00 0.36 0.00 0.00 54.97 56.61 3nnk s GLU 113 Cb -0.13 -3.72 -0.00 0.00 0.26 0.00 0.00 34.13 30.54 3nnk s GLU 113 CO 0.47 -0.73 0.27 0.08 -0.54 0.00 0.00 175.26 174.81 3nnk s VAL 114 N 3.17 5.27 -0.01 3.70 1.01 -1.26 -1.40 120.40 130.88 3nnk s VAL 114 Ca 0.37 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 3nnk s VAL 114 Cb -0.14 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3nnk s VAL 114 CO 0.12 -0.13 0.21 -1.00 0.00 0.00 0.00 175.10 174.30 3nnk s HIS 115 N 1.71 3.56 0.08 5.22 3.76 0.28 -4.98 115.29 124.92 3nnk s HIS 115 Ca 0.06 0.45 0.03 0.00 -0.15 0.00 0.00 55.06 55.44 3nnk s HIS 115 Cb -0.18 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 3nnk s HIS 115 CO 0.10 0.64 -0.09 0.95 -0.85 0.00 0.00 174.74 175.49 3nnk s THR 116 N -1.29 0.80 0.19 1.30 -4.23 -1.26 -2.03 115.64 109.12 3nnk s THR 116 Ca 0.26 -1.45 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 3nnk s THR 116 Cb -0.13 -1.12 -0.05 0.00 1.34 0.00 0.00 72.50 72.55 3nnk s THR 116 CO 0.16 -0.50 -0.15 0.27 -0.54 0.00 0.00 174.62 173.87 3nnk s ILE 117 N -2.10 1.73 0.03 2.99 -4.36 -1.07 -4.96 121.20 113.46 3nnk s ILE 117 Ca 0.00 -2.14 0.02 0.00 -0.26 0.00 0.00 60.65 58.27 3nnk s ILE 117 Cb -0.05 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 3nnk s ILE 117 CO -0.00 -0.54 -0.07 -1.61 0.24 0.00 0.00 174.94 172.96 3nnk s GLU 118 N -3.45 0.48 0.14 0.37 2.02 -1.26 -1.50 118.70 115.49 3nnk s GLU 118 Ca 0.21 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.66 3nnk s GLU 118 Cb -0.02 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.88 3nnk s GLU 118 CO 0.07 0.06 -0.11 0.14 0.02 0.00 0.00 175.26 175.44 3nnk s VAL 119 N -1.02 1.18 0.49 2.63 -7.23 -1.19 -5.02 120.40 110.24 3nnk s VAL 119 Ca -0.07 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.90 3nnk s VAL 119 Cb -0.08 -1.78 -0.08 0.00 0.56 0.00 0.00 36.38 35.00 3nnk s VAL 119 CO 0.00 -0.70 1.05 -2.16 -0.31 0.00 0.00 175.10 172.98 3nnk s PRO 120 N -3.56 3.76 0.14 4.82 0.04 -1.26 -4.65 135.00 134.29 3nnk s PRO 120 Ca 0.15 1.39 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 3nnk s PRO 120 Cb 0.01 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 3nnk s PRO 120 CO 0.01 -0.47 1.72 -1.58 0.04 0.00 0.00 177.00 176.72 3nnk s TRP 121 N -1.95 2.53 -0.47 0.56 0.52 -1.26 0.80 118.94 119.68 3nnk s TRP 121 Ca 0.68 0.24 0.03 0.00 0.02 0.00 0.00 56.10 57.07 3nnk s TRP 121 Cb -0.17 -4.08 0.12 0.00 -1.15 0.00 0.00 33.47 28.19 3nnk s TRP 121 CO 0.21 -4.28 0.20 0.20 0.02 0.00 0.00 176.95 173.30 3nnk s GLY 122 N 2.03 2.28 0.44 0.98 0.00 -1.26 -4.99 107.32 106.80 3nnk s GLY 122 Ca 0.76 -3.02 0.06 0.00 0.00 0.00 0.00 44.72 42.52 3nnk s GLY 122 CO 0.34 0.99 0.08 -0.54 0.00 0.00 0.00 173.10 173.97 3nnk s GLU 123 N 0.14 2.10 0.26 2.90 2.02 0.24 -2.82 118.70 123.54 3nnk s GLU 123 Ca 0.15 -2.09 0.12 0.00 0.02 0.00 0.00 54.97 53.16 3nnk s GLU 123 Cb -0.23 -1.74 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 3nnk s GLU 123 CO -0.03 -0.17 -0.20 0.08 0.02 0.00 0.00 175.26 174.96 3nnk s VAL 124 N -2.72 2.41 -0.05 2.63 1.01 -1.26 -4.87 120.40 117.55 3nnk s VAL 124 Ca 0.30 -2.32 -0.20 0.00 0.00 0.00 0.00 61.98 59.76 3nnk s VAL 124 Cb 0.06 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3nnk s VAL 124 CO 0.16 -0.36 0.57 -0.36 0.00 0.00 0.00 175.10 175.11 3nnk s PHE 125 N -2.37 3.61 0.36 5.22 0.08 -1.26 -5.02 117.98 118.60 3nnk s PHE 125 Ca 0.28 1.10 -0.26 0.00 0.12 0.00 0.00 56.93 58.16 3nnk s PHE 125 Cb -0.05 -2.61 -0.09 0.00 -0.57 0.00 0.00 43.02 39.69 3nnk s PHE 125 CO 0.13 0.25 1.09 0.99 -0.10 0.00 0.00 175.22 177.59 3nnk s THR 126 N 0.23 3.51 0.52 0.64 2.01 -1.26 -4.74 115.64 116.54 3nnk s THR 126 Ca 0.30 1.28 0.30 0.00 0.31 0.00 0.00 61.69 63.88 3nnk s THR 126 Cb -0.17 -3.73 0.47 0.00 0.01 0.00 0.00 72.50 69.09 3nnk s THR 126 CO 0.15 0.13 1.88 -0.65 -0.69 0.00 0.00 174.62 175.43 3nnk h PRO 127 N 2.91 0.06 -0.60 4.92 0.11 -1.96 -1.34 132.00 136.10 3nnk h PRO 127 Ca -0.48 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3nnk h PRO 127 Cb 1.22 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3nnk h PRO 127 CO 0.64 0.04 0.18 -0.44 -0.21 0.00 0.00 178.00 178.20 3nnk h ASP 128 N 0.06 0.85 -0.33 -2.05 5.19 -1.99 -1.73 116.42 116.43 3nnk h ASP 128 Ca 0.45 -0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.62 3nnk h ASP 128 Cb 1.68 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.95 3nnk h ASP 128 CO -0.04 0.81 -0.12 1.56 -3.12 0.00 0.00 179.24 178.34 3nnk h GLN 129 N 0.89 0.76 0.01 3.56 4.20 -1.63 -1.55 115.11 121.35 3nnk h GLN 129 Ca 0.20 -0.25 -0.21 0.00 0.06 0.00 0.00 58.65 58.44 3nnk h GLN 129 Cb 0.27 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3nnk h GLN 129 CO -0.01 0.85 -0.99 -0.39 -0.67 0.00 0.00 178.83 177.62 3nnk h VAL 130 N 0.69 1.69 -0.15 -0.54 -1.51 -1.50 -3.08 116.25 111.85 3nnk h VAL 130 Ca 0.12 -3.32 -0.21 0.00 -1.23 0.00 0.00 66.70 62.06 3nnk h VAL 130 Cb 0.59 2.81 0.01 0.00 -2.13 0.00 0.00 31.29 32.57 3nnk h VAL 130 CO 0.04 0.95 -0.74 -0.08 -1.23 0.00 0.00 177.57 176.51 3nnk h GLU 131 N 0.01 0.70 -0.72 5.19 4.81 -1.22 -1.50 114.58 121.85 3nnk h GLU 131 Ca -0.02 -0.56 0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3nnk h GLU 131 Cb 1.74 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 31.20 3nnk h GLU 131 CO 0.13 1.17 0.47 -0.44 -0.73 0.00 0.00 179.01 179.61 3nnk h ASP 132 N 0.49 0.81 -0.18 1.04 3.45 -1.37 -0.30 116.42 120.36 3nnk h ASP 132 Ca -0.04 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.35 3nnk h ASP 132 Cb 1.35 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 39.92 3nnk h ASP 132 CO 0.15 0.58 -0.09 0.00 -1.57 0.00 0.00 179.24 178.30 3nnk h ALA 133 N 1.27 0.26 -0.72 3.45 0.00 -1.50 -0.90 119.26 121.12 3nnk h ALA 133 Ca 0.27 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3nnk h ALA 133 Cb -0.09 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 3nnk h ALA 133 CO -0.07 0.09 0.37 0.28 0.00 0.00 0.00 179.25 179.93 3nnk h VAL 134 N 0.08 0.88 -0.82 0.00 2.07 -1.17 0.19 116.25 117.47 3nnk h VAL 134 Ca 0.04 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3nnk h VAL 134 Cb 0.58 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3nnk h VAL 134 CO 0.03 0.12 0.54 0.11 0.02 0.00 0.00 177.57 178.39 3nnk h LYS 135 N 0.64 1.07 -0.22 1.57 1.57 -0.94 0.18 116.57 120.45 3nnk h LYS 135 Ca 0.35 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.96 3nnk h LYS 135 Cb 0.33 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3nnk h LYS 135 CO -0.25 0.71 -0.26 0.00 -0.57 0.00 0.00 179.45 179.08 3nnk h ARG 136 N 1.10 0.56 0.00 3.15 3.08 0.32 -3.37 114.38 119.22 3nnk h ARG 136 Ca 0.30 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3nnk h ARG 136 Cb -0.11 0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3nnk h ARG 136 CO -0.07 0.91 -1.12 0.44 -1.07 0.00 0.00 179.97 179.06 3nnk n ILE 137 N -4.36 0.00 -3.56 2.04 -0.00 0.50 -5.05 119.36 108.92 3nnk n ILE 137 Ca -0.05 -0.25 -0.18 0.00 -0.00 0.00 0.00 62.75 62.27 3nnk n ILE 137 Cb 0.45 0.59 0.00 0.00 -0.00 0.00 0.00 39.64 40.68 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 -1.64 -1.44 -2.22 6.28 3.00 0.64 -4.95 116.66 116.33 3nnk n ARG 138 Ca -0.00 0.96 -0.32 0.00 -0.01 0.00 0.00 57.85 58.49 3nnk n ARG 138 Cb 0.28 -3.46 -0.02 0.00 0.00 0.00 0.00 32.46 29.26 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 -4.43 3.81 0.16 5.56 0.04 -1.26 -4.93 135.00 133.97 3nnk s PRO 139 Ca 0.03 0.90 0.08 0.00 0.04 0.00 0.00 61.00 62.05 3nnk s PRO 139 Cb -0.01 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3nnk s PRO 139 CO 0.85 -0.39 1.37 -0.09 0.04 0.00 0.00 177.00 178.78 3nnk h ARG 140 N 0.52 0.00 -5.15 4.56 2.43 -1.76 -3.44 114.38 111.54 3nnk h ARG 140 Ca -0.46 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.27 3nnk h ARG 140 Cb 1.19 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 30.47 3nnk h ARG 140 CO 0.61 0.89 -0.79 -0.51 -1.51 0.00 0.00 179.97 178.66 3nnk s LEU 141 N -6.91 2.09 -0.21 3.80 2.01 -1.22 -1.69 118.68 116.53 3nnk s LEU 141 Ca 0.01 -0.32 -0.07 0.00 0.01 0.00 0.00 54.13 53.76 3nnk s LEU 141 Cb 0.11 -0.60 -0.03 0.00 0.01 0.00 0.00 46.19 45.67 3nnk s LEU 141 CO 0.80 0.10 0.06 -0.22 1.01 0.00 0.00 176.35 178.09 3nnk s LEU 142 N -0.64 3.56 -0.31 1.79 2.96 -0.19 -1.61 118.68 124.24 3nnk s LEU 142 Ca 0.03 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3nnk s LEU 142 Cb -0.06 -1.92 0.08 0.00 0.50 0.00 0.00 46.19 44.78 3nnk s LEU 142 CO 0.00 0.06 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.33 3nnk s LEU 143 N 1.02 4.12 0.17 -0.68 1.43 0.11 -0.69 118.68 124.16 3nnk s LEU 143 Ca 0.04 -1.67 0.11 0.00 -1.03 0.00 0.00 54.13 51.58 3nnk s LEU 143 Cb -0.14 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3nnk s LEU 143 CO 0.03 -0.30 -0.25 0.42 0.23 0.00 0.00 176.35 176.48 3nnk s THR 144 N 1.07 2.32 -0.18 5.49 -4.23 -0.51 -3.51 115.64 116.10 3nnk s THR 144 Ca -0.01 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 58.47 3nnk s THR 144 Cb -0.20 -2.08 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 3nnk s THR 144 CO -0.05 -0.04 0.16 -0.69 -0.54 0.00 0.00 174.62 173.46 3nnk s VAL 145 N -1.44 5.40 -0.04 2.29 1.01 -1.26 -0.66 120.40 125.69 3nnk s VAL 145 Ca 0.18 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 3nnk s VAL 145 Cb -0.09 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3nnk s VAL 145 CO 0.08 0.46 0.33 -0.61 0.00 0.00 0.00 175.10 175.36 3nnk h GLN 146 N 6.44 -0.22 -5.00 2.72 4.15 -1.67 -3.41 115.11 118.12 3nnk h GLN 146 Ca -0.43 0.01 -0.66 0.00 0.77 0.00 0.00 58.65 58.34 3nnk h GLN 146 Cb 1.16 0.05 -0.31 0.00 0.21 0.00 0.00 27.48 28.59 3nnk h GLN 146 CO 0.74 -0.14 -0.78 0.20 -1.93 0.00 0.00 178.83 176.91 3nnk s GLY 147 N -2.72 1.53 -0.27 2.39 0.00 -1.26 0.61 107.32 107.60 3nnk s GLY 147 Ca -0.03 -1.24 -0.11 0.00 0.00 0.00 0.00 44.72 43.34 3nnk s GLY 147 CO 0.10 0.39 0.19 -0.35 0.00 0.00 0.00 173.10 173.43 3nnk s ASP 148 N 1.38 6.06 0.00 1.64 -1.08 -0.86 -4.51 116.67 119.30 3nnk s ASP 148 Ca 0.05 0.05 0.31 0.00 -0.52 0.00 0.00 52.55 52.43 3nnk s ASP 148 Cb -0.14 -2.12 1.75 0.00 -1.46 0.00 0.00 42.92 40.95 3nnk s ASP 148 CO -0.07 -0.02 2.15 0.35 0.52 0.00 0.00 175.17 178.09 3nnk n THR 149 N 4.83 0.00 0.90 1.71 -2.24 -1.26 -0.83 114.28 117.40 3nnk n THR 149 Ca -0.14 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 3nnk n THR 149 Cb 0.52 -0.40 0.17 0.00 -2.10 0.00 0.00 70.33 68.52 3nnk n THR 149 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3nnk n SER 150 N -0.95 0.60 0.00 3.42 3.41 -1.26 -4.32 113.62 114.52 3nnk n SER 150 Ca 0.22 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3nnk n SER 150 Cb 0.16 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3nnk n SER 150 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3nnk n THR 151 N -1.62 0.00 -0.99 6.66 -2.24 -1.12 -4.91 114.28 110.07 3nnk n THR 151 Ca 0.05 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3nnk n THR 151 Cb 0.36 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3nnk n THR 151 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3nnk n THR 152 N -0.69 0.00 -3.38 4.28 -2.24 -0.01 -4.83 114.28 107.41 3nnk n THR 152 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 3nnk n THR 152 Cb 0.00 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 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 -1.29 4.09 -0.33 -0.78 -1.94 -1.18 -1.40 119.30 116.48 3nnk s MET 153 Ca 0.00 0.55 -0.08 0.00 -1.71 0.00 0.00 55.69 54.46 3nnk s MET 153 Cb 0.00 -3.26 0.02 0.00 2.01 0.00 0.00 34.83 33.60 3nnk s MET 153 CO 0.00 0.59 0.12 -1.17 -0.01 0.00 0.00 175.02 174.55 3nnk s LEU 154 N -0.84 4.20 -0.06 -0.03 1.98 0.22 -2.03 118.68 122.13 3nnk s LEU 154 Ca 0.26 -0.91 -0.30 0.00 -2.89 0.00 0.00 54.13 50.29 3nnk s LEU 154 Cb -0.18 -1.91 -0.03 0.00 0.66 0.00 0.00 46.19 44.73 3nnk s LEU 154 CO 0.15 -0.28 1.16 -1.58 -1.89 0.00 0.00 176.35 173.91 3nnk s GLN 155 N 1.48 4.38 0.15 1.98 2.00 0.20 -4.79 119.66 125.05 3nnk s GLN 155 Ca 0.01 1.62 -0.31 0.00 -2.00 0.00 0.00 55.36 54.67 3nnk s GLN 155 Cb -0.18 -3.54 -0.10 0.00 0.80 0.00 0.00 33.01 29.99 3nnk s GLN 155 CO 0.04 -0.40 1.54 -2.14 -0.50 0.00 0.00 175.29 173.82 3nnk s PRO 156 N 2.07 4.24 -0.00 1.67 0.02 -1.26 -4.83 135.00 136.90 3nnk s PRO 156 Ca 0.54 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.88 3nnk s PRO 156 Cb -0.24 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.07 3nnk s PRO 156 CO 0.22 -0.58 0.05 1.28 -0.33 0.00 0.00 177.00 177.64 3nnk n LEU 157 N 4.05 0.05 -0.16 -5.54 4.32 -1.26 -4.74 117.00 113.72 3nnk n LEU 157 Ca 0.13 -0.37 -0.09 0.00 -0.02 0.00 0.00 56.01 55.67 3nnk n LEU 157 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 3nnk n LEU 157 CO 0.61 0.01 0.94 0.00 -1.22 0.00 0.00 177.39 177.73 3nnk h ALA 158 N 0.17 0.60 0.00 -1.18 0.00 -1.91 -2.83 119.26 114.11 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 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3nnk h ALA 158 CO 0.00 0.21 0.00 0.93 0.00 0.00 0.00 179.25 180.39 3nnk h GLU 159 N 0.61 0.00 -0.19 0.00 5.08 -1.94 -3.35 114.58 114.78 3nnk h GLU 159 Ca 0.15 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 3nnk h GLU 159 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3nnk h GLU 159 CO -0.01 0.00 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.35 3nnk h LEU 160 N 0.00 0.69 -0.89 1.33 4.07 -1.79 -3.30 115.31 115.42 3nnk h LEU 160 Ca 0.00 -0.38 -0.05 0.00 0.08 0.00 0.00 57.88 57.53 3nnk h LEU 160 Cb 0.92 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 3nnk h LEU 160 CO 0.00 1.11 0.23 1.23 -1.08 0.00 0.00 178.44 179.94 3nnk h GLY 161 N 0.99 1.13 2.00 0.83 0.00 -1.66 -1.94 103.07 104.42 3nnk h GLY 161 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 3nnk h GLY 161 CO 0.11 0.60 -0.44 0.83 0.00 0.00 0.00 176.54 177.63 3nnk h GLU 162 N 1.02 0.00 -0.51 4.80 4.39 -1.79 -2.01 114.58 120.48 3nnk h GLU 162 Ca 0.23 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 3nnk h GLU 162 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3nnk h GLU 162 CO -0.01 0.44 -0.02 0.82 -1.16 0.00 0.00 179.01 179.08 3nnk h ILE 163 N 0.00 1.26 -0.39 3.13 2.04 -1.53 -2.79 117.51 119.24 3nnk h ILE 163 Ca -0.00 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 3nnk h ILE 163 Cb 0.84 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3nnk h ILE 163 CO 0.06 0.39 -0.14 0.00 0.00 0.00 0.00 178.15 178.46 3nnk h ARG 165 N 0.63 0.93 0.00 0.00 2.43 -1.38 0.35 114.38 117.34 3nnk h ARG 165 Ca 0.11 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 3nnk h ARG 165 Cb 0.59 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3nnk h ARG 165 CO 0.04 1.01 -0.21 0.00 -1.51 0.00 0.00 179.97 179.30 3nnk h ARG 166 N 0.78 0.00 -0.28 0.20 3.08 -1.36 -2.89 114.38 113.91 3nnk h ARG 166 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3nnk h ARG 166 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3nnk h ARG 166 CO 0.05 0.21 0.00 0.66 -1.07 0.00 0.00 179.97 179.82 3nnk n TYR 167 N -4.20 0.60 -3.46 3.04 4.01 -1.12 -5.01 117.16 111.02 3nnk n TYR 167 Ca -0.02 -0.66 -0.23 0.00 -0.16 0.00 0.00 57.90 56.82 3nnk n TYR 167 Cb 0.27 -0.14 0.06 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 -0.02 -6.02 -4.23 7.72 4.64 -0.81 -5.00 116.55 112.83 3nnk n ASP 168 Ca 0.15 -0.85 -0.29 0.00 -1.38 0.00 0.00 54.79 52.41 3nnk n ASP 168 Cb 0.60 -4.27 -0.16 0.00 -1.04 0.00 0.00 41.12 36.25 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 -3.41 1.92 -0.23 -1.67 0.00 0.12 -4.91 121.76 113.58 3nnk s ALA 169 Ca 0.45 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 3nnk s ALA 169 Cb -0.11 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 3nnk s ALA 169 CO 0.80 0.39 1.20 -0.51 0.00 0.00 0.00 175.76 177.63 3nnk s LEU 170 N -0.18 4.06 -0.36 0.00 1.43 -0.68 -4.48 118.68 118.47 3nnk s LEU 170 Ca -0.01 1.43 -0.16 0.00 -1.03 0.00 0.00 54.13 54.35 3nnk s LEU 170 Cb -0.12 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 3nnk s LEU 170 CO 0.02 -0.83 0.42 0.12 0.23 0.00 0.00 176.35 176.31 3nnk s PHE 171 N 3.65 3.19 -0.04 0.29 5.36 -1.26 -1.02 117.98 128.15 3nnk s PHE 171 Ca 0.51 -0.05 0.05 0.00 -0.96 0.00 0.00 56.93 56.48 3nnk s PHE 171 Cb -0.18 -2.79 -0.02 0.00 -0.34 0.00 0.00 43.02 39.69 3nnk s PHE 171 CO 0.15 -0.52 -0.18 -0.47 -1.46 0.00 0.00 175.22 172.74 3nnk s TYR 172 N 2.14 2.59 0.06 10.12 6.14 0.14 -1.14 117.35 137.41 3nnk s TYR 172 Ca 0.14 -0.24 0.04 0.00 0.64 0.00 0.00 57.07 57.65 3nnk s TYR 172 Cb -0.16 -1.58 -0.03 0.00 0.42 0.00 0.00 41.96 40.61 3nnk s TYR 172 CO 0.13 0.13 -0.11 -0.08 0.64 0.00 0.00 175.55 176.25 3nnk s THR 173 N -0.71 0.88 -0.30 4.34 -1.32 -1.05 -1.42 115.64 116.06 3nnk s THR 173 Ca 0.11 -1.24 -0.09 0.00 -1.21 0.00 0.00 61.69 59.26 3nnk s THR 173 Cb -0.10 -0.92 -0.00 0.00 -1.51 0.00 0.00 72.50 69.97 3nnk s THR 173 CO 0.00 -0.31 0.13 -0.62 -2.21 0.00 0.00 174.62 171.61 3nnk s ASP 174 N -1.73 5.40 -0.19 8.08 2.15 0.16 -3.26 116.67 127.28 3nnk s ASP 174 Ca -0.04 -0.57 0.13 0.00 0.43 0.00 0.00 52.55 52.50 3nnk s ASP 174 Cb -0.09 -1.96 0.39 0.00 -0.30 0.00 0.00 42.92 40.95 3nnk s ASP 174 CO 0.01 -0.19 1.21 0.00 -0.17 0.00 0.00 175.17 176.03 3nnk n ALA 175 N 4.94 3.30 -0.01 3.66 0.00 -0.70 -1.77 120.51 129.92 3nnk n ALA 175 Ca -0.14 -3.12 0.02 0.00 0.00 0.00 0.00 53.44 50.21 3nnk n ALA 175 Cb 0.49 -0.37 0.37 0.00 0.00 0.00 0.00 19.45 19.94 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 0.74 1.14 0.00 0.00 1.35 -1.86 -0.78 112.91 113.50 3nnk h THR 176 Ca 0.01 -0.39 -0.22 0.00 -0.55 0.00 0.00 66.41 65.25 3nnk h THR 176 Cb 1.02 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 3nnk h THR 176 CO 0.01 0.16 -1.11 0.00 -0.25 0.00 0.00 175.52 174.33 3nnk h ALA 177 N 1.65 0.41 0.00 6.62 0.00 -1.86 -3.39 119.26 122.69 3nnk h ALA 177 Ca 0.14 -0.99 -0.41 0.00 0.00 0.00 0.00 54.91 53.65 3nnk h ALA 177 Cb 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3nnk h ALA 177 CO -0.02 1.29 -2.49 -1.13 0.00 0.00 0.00 179.25 176.91 3nnk n SER 178 N -3.31 1.98 -4.58 0.00 3.41 -0.98 -4.66 113.62 105.47 3nnk n SER 178 Ca -0.03 0.01 -0.53 0.00 -0.26 0.00 0.00 58.87 58.06 3nnk n SER 178 Cb 0.96 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 3nnk n SER 178 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3nnk n LEU 179 N -3.57 1.48 0.00 1.04 7.94 -0.33 -0.76 117.00 122.80 3nnk n LEU 179 Ca -0.48 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.54 3nnk n LEU 179 Cb 0.96 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.75 3nnk n LEU 179 CO 0.19 -1.12 0.00 0.61 -1.11 0.00 0.00 177.39 175.96 3nnk n GLY 180 N 2.46 2.21 0.09 -3.96 0.00 -1.26 -4.43 105.19 100.31 3nnk n GLY 180 Ca 0.19 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.84 3nnk n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 181 N 0.00 -1.29 3.18 -0.02 0.00 0.06 -3.54 105.19 103.58 3nnk n GLY 181 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.23 1.10 0.25 1.61 0.01 -0.09 -4.66 114.94 107.94 3nnk s ASN 182 Ca -0.03 -1.05 -0.30 0.00 -0.71 0.00 0.00 52.86 50.78 3nnk s ASN 182 Cb 0.10 0.11 -0.10 0.00 0.41 0.00 0.00 41.25 41.78 3nnk s ASN 182 CO 0.82 -0.50 1.32 -2.84 -1.51 0.00 0.00 177.10 174.40 3nnk s PRO 183 N -3.86 4.37 -0.21 -0.60 0.02 -1.26 -4.62 135.00 128.83 3nnk s PRO 183 Ca 0.14 2.14 -0.04 0.00 0.02 0.00 0.00 61.00 63.27 3nnk s PRO 183 Cb 0.06 -3.14 0.09 0.00 0.02 0.00 0.00 34.50 31.53 3nnk s PRO 183 CO -0.03 -0.24 0.21 -1.17 -0.33 0.00 0.00 177.00 175.44 3nnk s LEU 184 N -0.75 -0.04 -0.86 -5.54 2.96 -1.26 -5.01 118.68 108.18 3nnk s LEU 184 Ca 0.54 -0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 53.98 3nnk s LEU 184 Cb -0.38 0.30 0.22 0.00 0.50 0.00 0.00 46.19 46.83 3nnk s LEU 184 CO 0.44 -0.34 0.79 -1.61 -1.32 0.00 0.00 176.35 174.31 3nnk s GLU 185 N 2.30 3.56 0.07 1.98 0.41 -1.26 -4.50 118.70 121.26 3nnk s GLU 185 Ca 0.07 -2.66 -0.26 0.00 -0.41 0.00 0.00 54.97 51.71 3nnk s GLU 185 Cb -0.16 -4.33 -0.12 0.00 -1.78 0.00 0.00 34.13 27.74 3nnk s GLU 185 CO -0.15 -1.26 1.40 1.15 -0.49 0.00 0.00 175.26 175.91 3nnk h THR 186 N 4.60 0.00 -0.39 3.63 2.02 -1.49 0.66 112.91 121.94 3nnk h THR 186 Ca 0.11 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.14 3nnk h THR 186 Cb 0.99 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3nnk h THR 186 CO 0.80 0.00 -0.34 0.44 0.37 0.00 0.00 175.52 176.78 3nnk h ASP 187 N -0.68 0.98 0.52 4.18 5.19 -1.81 -1.52 116.42 123.28 3nnk h ASP 187 Ca -0.03 -0.45 -0.07 0.00 -0.62 0.00 0.00 57.03 55.86 3nnk h ASP 187 Cb 0.61 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 3nnk h ASP 187 CO -0.10 1.23 -0.32 -0.37 -3.12 0.00 0.00 179.24 176.57 3nnk h VAL 188 N 0.74 0.99 -0.49 -1.35 -1.51 -1.81 -2.76 116.25 110.06 3nnk h VAL 188 Ca 0.07 -1.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 3nnk h VAL 188 Cb 0.93 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 3nnk h VAL 188 CO 0.09 0.31 0.00 0.79 -1.23 0.00 0.00 177.57 177.53 3nnk n TRP 189 N -3.81 0.65 -2.59 5.19 8.01 0.22 -4.97 117.44 120.14 3nnk n TRP 189 Ca -0.01 -0.32 -0.17 0.00 -1.31 0.00 0.00 57.50 55.68 3nnk n TRP 189 Cb 0.40 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.71 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 1.48 -0.28 3.73 6.99 0.00 -1.04 -3.84 105.19 112.24 3nnk n GLY 190 Ca 0.20 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3nnk n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nnk s LEU 191 N -5.01 4.44 -0.13 0.99 1.43 -0.59 -4.71 118.68 115.09 3nnk s LEU 191 Ca 0.12 2.20 0.14 0.00 -1.03 0.00 0.00 54.13 55.57 3nnk s LEU 191 Cb -0.05 -3.60 -0.24 0.00 0.03 0.00 0.00 46.19 42.32 3nnk s LEU 191 CO 0.15 -0.39 0.31 0.47 0.23 0.00 0.00 176.35 177.12 3nnk n ASP 192 N 2.77 0.51 -3.76 2.29 8.00 -0.29 -4.67 116.55 121.40 3nnk n ASP 192 Ca 0.05 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 3nnk n ASP 192 Cb 0.45 0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 41.88 3nnk n ASP 192 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk s ALA 193 N -2.54 -0.68 -0.01 2.24 0.00 -1.06 -1.03 121.76 118.68 3nnk s ALA 193 Ca -0.09 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.80 3nnk s ALA 193 Cb 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3nnk s ALA 193 CO 0.82 -0.16 -0.06 0.08 0.00 0.00 0.00 175.76 176.44 3nnk s VAL 194 N 0.57 0.48 0.11 0.00 1.01 -0.74 -2.52 120.40 119.32 3nnk s VAL 194 Ca -0.03 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.79 3nnk s VAL 194 Cb -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3nnk s VAL 194 CO -0.03 0.15 -0.17 -0.94 0.00 0.00 0.00 175.10 174.11 3nnk s SER 195 N 0.07 2.23 0.00 3.32 1.04 -1.20 -1.44 113.70 117.72 3nnk s SER 195 Ca -0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.68 3nnk s SER 195 Cb -0.05 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.97 3nnk s SER 195 CO -0.00 -0.05 0.00 0.00 0.98 0.00 0.00 173.24 174.17 3nnk n ALA 196 N 0.80 0.00 -2.51 5.32 0.00 -0.33 -1.73 120.51 122.06 3nnk n ALA 196 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 3nnk n ALA 196 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.71 1.75 -0.15 0.00 0.00 -1.26 -4.09 107.32 102.86 3nnk s GLY 197 Ca 0.00 -1.74 0.17 0.00 0.00 0.00 0.00 44.72 43.15 3nnk s GLY 197 CO 0.00 -1.25 0.13 1.03 0.00 0.00 0.00 173.10 173.01 3nnk n MET 198 N -0.51 0.95 -1.41 2.90 0.00 -1.25 -4.73 117.12 113.07 3nnk n MET 198 Ca 0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 57.70 57.42 3nnk n MET 198 Cb 0.63 -1.47 -0.01 0.00 0.00 0.00 0.00 33.22 32.38 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3nnk n GLN 199 N -2.58 2.36 0.08 0.03 0.00 -1.25 -0.25 117.38 115.76 3nnk n GLN 199 Ca -0.25 -2.47 0.04 0.00 0.00 0.00 0.00 57.00 54.33 3nnk n GLN 199 Cb 0.98 -2.06 0.23 0.00 0.00 0.00 0.00 30.24 29.39 3nnk n GLN 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3nnk h LEU 202 N 0.00 0.45 -2.36 0.00 4.07 -1.80 -3.36 115.31 112.31 3nnk h LEU 202 Ca 0.00 -0.88 0.00 0.00 0.08 0.00 0.00 57.88 57.08 3nnk h LEU 202 Cb 0.22 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.82 3nnk h LEU 202 CO 0.00 1.68 -0.25 0.61 -1.08 0.00 0.00 178.44 179.39 3nnk n GLY 203 N 1.79 -1.23 0.00 0.83 0.00 0.65 -4.70 105.19 102.52 3nnk n GLY 203 Ca -0.25 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -0.96 0.67 3.89 -0.02 0.00 -1.26 -1.73 105.19 105.79 3nnk n GLY 204 Ca 0.06 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.11 3.68 0.74 1.61 0.04 -1.26 -3.89 135.00 135.80 3nnk s PRO 205 Ca 0.00 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 60.95 3nnk s PRO 205 Cb 0.00 -2.72 0.04 0.00 0.04 0.00 0.00 34.50 31.87 3nnk s PRO 205 CO 0.00 0.33 1.17 -1.54 0.04 0.00 0.00 177.00 177.00 3nnk s SER 206 N -2.68 4.29 0.00 6.66 1.04 -1.26 -4.46 113.70 117.29 3nnk s SER 206 Ca 0.44 2.23 0.00 0.00 0.48 0.00 0.00 55.95 59.10 3nnk s SER 206 Cb -0.11 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.43 3nnk s SER 206 CO 0.25 -2.19 0.00 0.61 0.98 0.00 0.00 173.24 172.89 3nnk n GLY 207 N 0.07 0.83 3.15 7.32 0.00 -1.26 -4.97 105.19 110.33 3nnk n GLY 207 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.86 1.17 -0.32 2.61 2.01 -0.91 -1.24 115.64 118.10 3nnk s THR 208 Ca 0.00 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.06 3nnk s THR 208 Cb 0.00 -1.04 0.10 0.00 0.01 0.00 0.00 72.50 71.57 3nnk s THR 208 CO 0.00 0.09 0.09 -0.55 -0.69 0.00 0.00 174.62 173.56 3nnk s SER 209 N -0.98 4.19 0.14 3.53 0.15 0.46 -3.92 113.70 117.27 3nnk s SER 209 Ca 0.03 -1.78 -0.31 0.00 0.70 0.00 0.00 55.95 54.60 3nnk s SER 209 Cb -0.07 -1.04 -0.08 0.00 -1.71 0.00 0.00 66.02 63.12 3nnk s SER 209 CO 0.01 -0.40 1.30 -2.84 1.20 0.00 0.00 173.24 172.51 3nnk s PRO 210 N 1.43 4.38 0.23 5.44 0.02 -1.26 0.12 135.00 145.37 3nnk s PRO 210 Ca 0.10 1.98 0.05 0.00 0.02 0.00 0.00 61.00 63.15 3nnk s PRO 210 Cb -0.18 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.04 3nnk s PRO 210 CO -0.21 -0.30 -0.04 0.96 -0.33 0.00 0.00 177.00 177.08 3nnk s ILE 211 N 0.64 1.23 -0.10 2.83 -4.36 0.12 -1.19 121.20 120.37 3nnk s ILE 211 Ca 0.59 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.80 3nnk s ILE 211 Cb -0.35 -2.27 0.03 0.00 1.25 0.00 0.00 42.46 41.12 3nnk s ILE 211 CO 0.33 -0.40 0.31 0.28 0.24 0.00 0.00 174.94 175.71 3nnk s THR 212 N -3.29 0.01 -0.04 8.37 -1.32 -0.52 -0.93 115.64 117.92 3nnk s THR 212 Ca 0.26 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 3nnk s THR 212 Cb 0.04 -0.47 0.02 0.00 -1.51 0.00 0.00 72.50 70.58 3nnk s THR 212 CO 0.08 -0.04 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.64 3nnk s LEU 213 N -0.05 1.49 0.93 9.08 1.43 -0.28 -1.79 118.68 129.50 3nnk s LEU 213 Ca -0.02 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3nnk s LEU 213 Cb -0.03 -0.44 0.15 0.00 0.03 0.00 0.00 46.19 45.90 3nnk s LEU 213 CO 0.01 -0.02 1.13 -0.94 0.23 0.00 0.00 176.35 176.76 3nnk s SER 214 N 0.66 3.30 0.44 2.29 1.04 -0.19 -4.28 113.70 116.96 3nnk s SER 214 Ca -0.09 0.99 0.13 0.00 0.48 0.00 0.00 55.95 57.46 3nnk s SER 214 Cb -0.12 -1.58 1.02 0.00 0.10 0.00 0.00 66.02 65.44 3nnk s SER 214 CO 0.00 -2.68 2.01 0.00 0.98 0.00 0.00 173.24 173.55 3nnk h ALA 215 N -1.59 1.96 -0.54 5.32 0.00 -1.96 -1.24 119.26 121.21 3nnk h ALA 215 Ca -0.51 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3nnk h ALA 215 Cb 1.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3nnk h ALA 215 CO 0.61 -0.06 0.11 -0.09 0.00 0.00 0.00 179.25 179.82 3nnk h ARG 216 N 0.40 0.89 -0.22 0.00 2.43 -1.93 -2.35 114.38 113.59 3nnk h ARG 216 Ca 0.22 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3nnk h ARG 216 Cb 0.37 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3nnk h ARG 216 CO -0.06 0.85 -0.02 0.52 -1.51 0.00 0.00 179.97 179.76 3nnk h MET 217 N 0.78 0.41 0.00 0.20 2.86 -1.60 -2.37 114.93 115.21 3nnk h MET 217 Ca 0.17 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3nnk h MET 217 Cb 0.38 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3nnk h MET 217 CO 0.01 0.61 -0.06 1.05 1.06 0.00 0.00 176.91 179.58 3nnk h GLU 218 N 0.16 0.00 0.05 1.72 4.11 -1.21 0.77 114.58 120.18 3nnk h GLU 218 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 3nnk h GLU 218 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3nnk h GLU 218 CO 0.01 0.06 -0.02 1.49 0.07 0.00 0.00 179.01 180.62 3nnk h GLU 219 N 0.00 -0.06 -0.62 1.06 4.81 -1.34 -1.30 114.58 117.13 3nnk h GLU 219 Ca -0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3nnk h GLU 219 Cb 0.10 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3nnk h GLU 219 CO 0.01 0.33 0.41 0.00 -0.73 0.00 0.00 179.01 179.03 3nnk h ALA 220 N 0.45 1.66 0.10 2.92 0.00 -0.71 -2.17 119.26 121.51 3nnk h ALA 220 Ca -0.01 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 3nnk h ALA 220 Cb 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3nnk h ALA 220 CO 0.01 0.27 -1.28 0.82 0.00 0.00 0.00 179.25 179.08 3nnk h ILE 221 N 0.74 1.45 0.00 0.00 2.04 -0.94 -3.30 117.51 117.49 3nnk h ILE 221 Ca 0.25 -3.06 -0.05 0.00 1.00 0.00 0.00 64.86 63.00 3nnk h ILE 221 Cb 0.07 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 3nnk h ILE 221 CO -0.07 0.88 -0.26 0.03 0.00 0.00 0.00 178.15 178.74 3nnk h ARG 222 N 0.06 0.00 0.00 2.37 -0.00 -0.77 -2.34 114.38 113.69 3nnk h ARG 222 Ca -0.14 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.33 3nnk h ARG 222 Cb 1.95 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.92 3nnk h ARG 222 CO 0.18 0.26 -0.02 0.00 0.00 0.00 0.00 179.97 180.39 3nnk h ARG 223 N 0.00 0.00 -1.22 0.04 3.08 -1.49 -2.71 114.38 112.08 3nnk h ARG 223 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 3nnk h ARG 223 Cb 0.53 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.44 3nnk h ARG 223 CO 0.03 0.02 0.35 0.54 -1.07 0.00 0.00 179.97 179.84 3nnk n ARG 224 N -4.31 1.66 -1.87 0.04 5.12 -0.88 -1.09 116.66 115.33 3nnk n ARG 224 Ca -0.03 -1.45 -0.41 0.00 -1.93 0.00 0.00 57.85 54.03 3nnk n ARG 224 Cb 0.11 -1.57 -0.01 0.00 -1.16 0.00 0.00 32.46 29.83 3nnk n ARG 224 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3nnk s LYS 225 N -1.63 4.17 0.00 5.56 3.01 -1.02 -4.37 119.74 125.45 3nnk s LYS 225 Ca 0.28 2.49 0.00 0.00 -1.01 0.00 0.00 55.97 57.73 3nnk s LYS 225 Cb 0.23 -3.00 0.00 0.00 -1.01 0.00 0.00 37.83 34.05 3nnk s LYS 225 CO 0.03 -0.47 0.00 0.00 0.51 0.00 0.00 175.35 175.42 3nnk s VAL 227 N 0.00 4.93 0.11 0.00 1.01 -1.26 -4.89 120.40 120.29 3nnk s VAL 227 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 61.98 61.62 3nnk s VAL 227 Cb 0.00 -3.15 -0.17 0.00 0.00 0.00 0.00 36.38 33.06 3nnk s VAL 227 CO 0.00 0.56 1.21 1.21 0.00 0.00 0.00 175.10 178.09 3nnk n GLU 228 N 2.53 0.95 0.16 2.72 0.00 -1.26 -4.82 120.64 120.92 3nnk n GLU 228 Ca -0.18 0.34 0.06 0.00 0.00 0.00 0.00 57.16 57.38 3nnk n GLU 228 Cb 0.54 -1.89 0.54 0.00 0.00 0.00 0.00 31.44 30.63 3nnk n GLU 228 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3nnk h GLU 229 N 3.82 0.19 0.00 5.31 -0.00 -1.97 -2.30 114.58 119.63 3nnk h GLU 229 Ca -0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 3nnk h GLU 229 Cb 1.36 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 30.06 3nnk h GLU 229 CO 0.73 0.16 0.00 0.78 -0.00 0.00 0.00 179.01 180.67 3nnk h GLY 230 N 0.27 0.00 -0.20 1.06 0.00 -2.01 -3.10 103.07 99.09 3nnk h GLY 230 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3nnk h GLY 230 CO -0.01 0.00 -0.07 0.29 0.00 0.00 0.00 176.54 176.76 3nnk n ILE 231 N -3.00 1.95 -3.28 2.60 -5.35 -0.90 -5.02 119.36 106.36 3nnk n ILE 231 Ca 0.02 -2.39 -0.41 0.00 -0.27 0.00 0.00 62.75 59.70 3nnk n ILE 231 Cb 0.37 -0.24 -0.08 0.00 -1.74 0.00 0.00 39.64 37.94 3nnk n ILE 231 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3nnk s ARG 232 N -2.93 3.72 0.71 6.28 3.52 -0.99 -4.93 118.95 124.33 3nnk s ARG 232 Ca 0.33 -0.11 -0.03 0.00 -0.13 0.00 0.00 55.73 55.80 3nnk s ARG 232 Cb 0.30 -3.77 0.11 0.00 -1.56 0.00 0.00 34.95 30.02 3nnk s ARG 232 CO 0.02 -0.55 0.99 0.95 -0.81 0.00 0.00 175.30 175.90 3nnk s THR 233 N 2.30 2.23 -0.72 4.11 -4.23 -1.26 -5.00 115.64 113.07 3nnk s THR 233 Ca 0.18 -0.50 0.24 0.00 -1.18 0.00 0.00 61.69 60.42 3nnk s THR 233 Cb -0.16 -2.73 0.24 0.00 1.34 0.00 0.00 72.50 71.19 3nnk s THR 233 CO 0.12 0.00 1.73 0.47 -0.54 0.00 0.00 174.62 176.40 3nnk n ASP 234 N -2.85 0.52 0.20 3.99 8.00 -1.26 -3.40 116.55 121.75 3nnk n ASP 234 Ca 0.13 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.33 3nnk n ASP 234 Cb 0.60 -0.71 0.14 0.00 -0.02 0.00 0.00 41.12 41.13 3nnk n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk h ALA 235 N 2.50 0.91 -2.25 2.24 0.00 -2.02 -3.46 119.26 117.18 3nnk h ALA 235 Ca 0.00 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3nnk h ALA 235 Cb 0.50 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3nnk h ALA 235 CO 0.00 0.01 0.25 -1.01 0.00 0.00 0.00 179.25 178.50 3nnk s HIS 236 N -3.23 3.43 0.02 0.00 3.76 -1.22 -5.09 115.29 112.96 3nnk s HIS 236 Ca 0.06 1.52 -0.10 0.00 -0.15 0.00 0.00 55.06 56.39 3nnk s HIS 236 Cb 0.06 -2.76 0.01 0.00 1.11 0.00 0.00 32.58 31.00 3nnk s HIS 236 CO 0.69 0.05 0.20 -0.98 -0.85 0.00 0.00 174.74 173.86 3nnk s ARG 237 N -2.79 0.64 0.73 1.40 1.70 -1.26 -4.99 118.95 114.38 3nnk s ARG 237 Ca 0.56 -0.49 -0.11 0.00 -0.47 0.00 0.00 55.73 55.21 3nnk s ARG 237 Cb -0.12 0.27 0.03 0.00 -0.57 0.00 0.00 34.95 34.56 3nnk s ARG 237 CO 0.17 -0.18 1.08 -0.51 -1.08 0.00 0.00 175.30 174.78 3nnk s ASP 238 N -1.78 5.14 0.00 -2.89 1.01 -1.26 -4.67 116.67 112.22 3nnk s ASP 238 Ca -0.09 1.39 0.00 0.00 0.71 0.00 0.00 52.55 54.56 3nnk s ASP 238 Cb -0.03 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.67 3nnk s ASP 238 CO -0.01 -1.56 0.00 0.61 0.21 0.00 0.00 175.17 174.41 3nnk n GLY 239 N -2.29 0.93 0.00 0.21 0.00 -1.12 -4.88 105.19 98.04 3nnk n GLY 239 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3nnk n GLY 239 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3nnk n ASP 240 N 0.00 4.00 -4.92 1.61 5.68 -0.30 -4.89 116.55 117.73 3nnk n ASP 240 Ca 0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.03 3nnk n ASP 240 Cb 0.00 0.67 0.02 0.00 -1.14 0.00 0.00 41.12 40.67 3nnk n ASP 240 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3nnk s GLU 241 N -1.67 3.12 0.72 0.11 2.02 -0.25 -5.03 118.70 117.72 3nnk s GLU 241 Ca 0.00 -0.01 -0.14 0.00 0.02 0.00 0.00 54.97 54.83 3nnk s GLU 241 Cb 0.00 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 31.92 3nnk s GLU 241 CO 0.00 -0.49 1.15 -1.83 0.02 0.00 0.00 175.26 174.11 3nnk s GLU 242 N -4.86 2.35 0.82 1.61 -1.05 -1.26 -4.49 118.70 111.83 3nnk s GLU 242 Ca 0.51 1.54 -0.12 0.00 -0.15 0.00 0.00 54.97 56.75 3nnk s GLU 242 Cb -0.10 -1.88 0.09 0.00 -0.44 0.00 0.00 34.13 31.80 3nnk s GLU 242 CO 0.44 -1.63 1.17 0.00 0.95 0.00 0.00 175.26 176.20 3nnk s MET 243 N -4.12 1.62 0.16 -4.83 0.23 -1.26 -4.63 119.30 106.47 3nnk s MET 243 Ca 0.69 1.62 -0.30 0.00 -1.03 0.00 0.00 55.69 56.68 3nnk s MET 243 Cb -0.24 -1.79 -0.07 0.00 -1.53 0.00 0.00 34.83 31.20 3nnk s MET 243 CO 0.45 -2.20 0.97 0.42 -2.03 0.00 0.00 175.02 172.64 3nnk s ILE 244 N -2.36 4.28 -0.42 3.16 1.01 -1.26 -4.96 121.20 120.65 3nnk s ILE 244 Ca 0.70 2.02 -0.04 0.00 0.00 0.00 0.00 60.65 63.33 3nnk s ILE 244 Cb -0.25 -4.29 0.06 0.00 0.01 0.00 0.00 42.46 37.99 3nnk s ILE 244 CO 0.52 0.37 2.73 -1.22 0.00 0.00 0.00 174.94 177.34 3nnk n TYR 245 N 2.30 1.51 -3.62 3.97 4.01 -1.26 -4.75 117.16 119.32 3nnk n TYR 245 Ca 0.01 -1.93 -0.16 0.00 -0.16 0.00 0.00 57.90 55.67 3nnk n TYR 245 Cb 0.48 -1.34 -0.07 0.00 -0.31 0.00 0.00 39.34 38.09 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk s SER 246 N 0.41 -0.53 -0.19 7.72 0.15 -1.26 -5.06 113.70 114.93 3nnk s SER 246 Ca 0.56 0.68 -0.18 0.00 0.70 0.00 0.00 55.95 57.71 3nnk s SER 246 Cb 0.37 0.65 -0.15 0.00 -1.71 0.00 0.00 66.02 65.18 3nnk s SER 246 CO -0.19 -0.47 0.11 -1.13 1.20 0.00 0.00 173.24 172.77 3nnk h ASN 247 N 3.77 0.00 -0.13 5.45 -1.24 -1.97 -3.32 115.58 118.14 3nnk h ASN 247 Ca -0.28 -0.37 -0.06 0.00 0.71 0.00 0.00 56.30 56.30 3nnk h ASN 247 Cb 1.16 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.19 3nnk h ASN 247 CO 0.33 1.28 -0.08 0.22 -1.29 0.00 0.00 177.43 177.89 3nnk h TYR 248 N -1.00 0.47 -0.65 0.67 3.20 -1.97 -3.03 116.97 114.65 3nnk h TYR 248 Ca -0.25 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.56 3nnk h TYR 248 Cb 1.08 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3nnk h TYR 248 CO 0.01 0.52 0.00 1.19 -1.64 0.00 0.00 178.16 178.25 3nnk n PHE 249 N -4.25 1.10 -2.28 -3.82 3.72 -1.26 -4.87 117.46 105.80 3nnk n PHE 249 Ca 0.01 -0.55 -0.36 0.00 -0.05 0.00 0.00 57.45 56.49 3nnk n PHE 249 Cb 0.28 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.99 5.72 0.54 4.37 -1.08 -1.15 -4.57 116.67 119.51 3nnk s ASP 250 Ca 0.47 -0.53 0.25 0.00 -0.52 0.00 0.00 52.55 52.22 3nnk s ASP 250 Cb 0.27 -2.55 1.52 0.00 -1.46 0.00 0.00 42.92 40.69 3nnk s ASP 250 CO 0.28 -2.16 2.15 -0.07 0.52 0.00 0.00 175.17 175.89 3nnk h LEU 251 N 15.22 0.00 -0.93 -1.34 3.38 -1.89 -1.16 115.31 128.59 3nnk h LEU 251 Ca -0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3nnk h LEU 251 Cb 1.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3nnk h LEU 251 CO 1.28 0.06 0.61 1.23 0.09 0.00 0.00 178.44 181.71 3nnk h GLY 252 N 0.31 1.33 1.23 0.83 0.00 -1.88 0.14 103.07 105.02 3nnk h GLY 252 Ca -0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 47.33 46.62 3nnk h GLY 252 CO 0.01 0.43 -0.88 -0.33 0.00 0.00 0.00 176.54 175.77 3nnk h MET 253 N 1.21 0.73 -0.62 4.80 2.86 -1.58 -2.97 114.93 119.35 3nnk h MET 253 Ca 0.36 -0.67 0.01 0.00 -2.06 0.00 0.00 59.70 57.33 3nnk h MET 253 Cb -0.07 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3nnk h MET 253 CO -0.10 1.27 0.41 0.28 1.06 0.00 0.00 176.91 179.83 3nnk h VAL 254 N 0.47 1.16 -0.64 -2.22 2.07 -1.09 -2.18 116.25 113.81 3nnk h VAL 254 Ca -0.08 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.20 3nnk h VAL 254 Cb 1.51 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3nnk h VAL 254 CO 0.18 0.16 0.34 0.24 0.02 0.00 0.00 177.57 178.50 3nnk h MET 255 N 0.85 0.59 -0.12 1.57 2.86 -0.75 -1.56 114.93 118.37 3nnk h MET 255 Ca 0.23 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3nnk h MET 255 Cb -0.09 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 3nnk h MET 255 CO -0.05 0.39 0.01 -0.44 1.06 0.00 0.00 176.91 177.88 3nnk h ASP 256 N 0.61 0.14 0.04 1.22 3.32 -1.28 0.30 116.42 120.77 3nnk h ASP 256 Ca 0.30 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 3nnk h ASP 256 Cb 0.23 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3nnk h ASP 256 CO -0.21 0.17 -0.57 0.22 -1.72 0.00 0.00 179.24 177.14 3nnk h TYR 257 N 0.16 0.70 0.00 4.55 3.20 -0.71 -2.31 116.97 122.56 3nnk h TYR 257 Ca 0.04 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.66 3nnk h TYR 257 Cb 0.10 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3nnk h TYR 257 CO 0.00 0.99 -0.79 -1.49 -1.64 0.00 0.00 178.16 175.23 3nnk h TRP 258 N 0.42 0.00 -3.59 -3.82 4.06 -0.64 -3.39 115.95 108.99 3nnk h TRP 258 Ca 0.00 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.60 3nnk h TRP 258 Cb 1.11 0.00 0.14 0.00 -1.00 0.00 0.00 29.16 29.42 3nnk h TRP 258 CO 0.05 0.00 0.34 0.41 -3.56 0.00 0.00 178.44 175.67 3nnk n GLY 259 N 1.21 -1.35 0.10 1.49 0.00 1.00 -4.95 105.19 102.69 3nnk n GLY 259 Ca 0.01 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.42 3nnk n GLY 259 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 260 N -3.29 0.14 0.01 1.61 -0.04 -1.26 -2.75 135.00 129.41 3nnk n PRO 260 Ca 0.14 0.41 -0.13 0.00 -0.04 0.00 0.00 63.50 63.88 3nnk n PRO 260 Cb 0.48 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 3nnk n PRO 260 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3nnk h GLU 261 N 0.00 0.60 -3.85 0.54 3.07 -1.92 -3.48 114.58 109.54 3nnk h GLU 261 Ca 0.00 -0.46 -0.34 0.00 -0.50 0.00 0.00 59.36 58.06 3nnk h GLU 261 Cb 0.29 0.09 0.06 0.00 -0.84 0.00 0.00 28.75 28.34 3nnk h GLU 261 CO 0.00 1.08 -0.51 0.54 -1.40 0.00 0.00 179.01 178.73 3nnk n ARG 262 N -3.91 -4.23 -1.67 2.33 5.12 -0.91 -4.94 116.66 108.46 3nnk n ARG 262 Ca -0.05 0.76 -0.50 0.00 -1.93 0.00 0.00 57.85 56.13 3nnk n ARG 262 Cb 0.70 -5.30 -0.05 0.00 -1.16 0.00 0.00 32.46 26.64 3nnk n ARG 262 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3nnk n LEU 263 N -3.44 2.85 -4.57 0.55 -0.00 -0.97 -4.82 117.00 106.59 3nnk n LEU 263 Ca -0.09 1.05 -0.35 0.00 -0.00 0.00 0.00 56.01 56.62 3nnk n LEU 263 Cb 0.60 -1.32 -0.03 0.00 -0.00 0.00 0.00 43.42 42.67 3nnk n LEU 263 CO 0.40 -0.36 1.65 0.21 -0.00 0.00 0.00 177.39 179.29 3nnk s ASN 264 N 2.35 5.94 -0.15 1.96 3.84 -1.26 -3.88 114.94 123.74 3nnk s ASN 264 Ca 0.88 -1.78 -0.19 0.00 0.21 0.00 0.00 52.86 51.98 3nnk s ASN 264 Cb -0.80 -2.58 -0.16 0.00 -0.55 0.00 0.00 41.25 37.16 3nnk s ASN 264 CO 0.49 -2.09 0.34 -0.74 -2.79 0.00 0.00 177.10 172.31 3nnk h HIS 265 N 9.18 0.00 -3.22 0.43 -0.00 -1.87 -3.48 115.15 116.19 3nnk h HIS 265 Ca 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.62 3nnk h HIS 265 Cb 0.93 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.23 3nnk h HIS 265 CO 1.30 0.83 0.07 -3.38 -0.00 0.00 0.00 177.93 176.75 3nnk s HIS 266 N -2.14 -0.29 -0.33 5.26 -3.43 -1.26 -5.05 115.29 108.04 3nnk s HIS 266 Ca -0.18 -0.00 -0.29 0.00 -0.80 0.00 0.00 55.06 53.79 3nnk s HIS 266 Cb 0.01 0.42 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 3nnk s HIS 266 CO 0.47 -0.84 1.36 0.99 -2.00 0.00 0.00 174.74 174.73 3nnk s THR 267 N -3.81 4.02 0.35 -5.38 2.01 -1.26 -4.98 115.64 106.60 3nnk s THR 267 Ca 0.04 1.12 -0.29 0.00 0.31 0.00 0.00 61.69 62.88 3nnk s THR 267 Cb -0.00 -4.14 -0.11 0.00 0.01 0.00 0.00 72.50 68.26 3nnk s THR 267 CO -0.09 -0.56 1.52 -0.70 -0.69 0.00 0.00 174.62 174.10 3nnk s GLU 268 N 4.47 4.11 -0.67 4.92 2.56 -1.26 -4.86 118.70 127.97 3nnk s GLU 268 Ca 0.59 2.58 -0.26 0.00 0.00 0.00 0.00 54.97 57.88 3nnk s GLU 268 Cb -0.16 -2.98 -0.04 0.00 2.00 0.00 0.00 34.13 32.94 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 -0.78 1.84 0.09 6.30 0.00 -1.26 -4.86 121.76 123.10 3nnk s ALA 269 Ca 0.56 -0.74 -0.23 0.00 0.00 0.00 0.00 51.96 51.55 3nnk s ALA 269 Cb -0.47 -4.39 -0.13 0.00 0.00 0.00 0.00 23.12 18.13 3nnk s ALA 269 CO 0.59 -4.37 1.73 1.15 0.00 0.00 0.00 175.76 174.85 3nnk h THR 270 N 7.18 0.91 -0.54 0.00 2.02 -1.98 0.16 112.91 120.67 3nnk h THR 270 Ca -0.15 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 3nnk h THR 270 Cb 1.13 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3nnk h THR 270 CO 1.19 0.00 -0.09 0.74 0.37 0.00 0.00 175.52 177.73 3nnk h THR 271 N -0.07 1.27 -0.63 3.16 2.02 -1.91 -2.62 112.91 114.13 3nnk h THR 271 Ca 0.01 -1.24 -0.06 0.00 0.77 0.00 0.00 66.41 65.88 3nnk h THR 271 Cb 0.08 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3nnk h THR 271 CO -0.02 0.44 0.15 0.00 0.37 0.00 0.00 175.52 176.45 3nnk h ALA 272 N 0.93 0.83 -0.51 6.16 0.00 -1.88 -1.84 119.26 122.95 3nnk h ALA 272 Ca 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3nnk h ALA 272 Cb 0.66 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3nnk h ALA 272 CO 0.05 0.55 0.34 1.25 0.00 0.00 0.00 179.25 181.44 3nnk h LEU 273 N 0.94 0.56 -0.38 0.00 6.46 -0.58 0.16 115.31 122.46 3nnk h LEU 273 Ca 0.20 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 3nnk h LEU 273 Cb 0.37 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 3nnk h LEU 273 CO 0.00 0.40 0.04 -0.26 -0.62 0.00 0.00 178.44 178.00 3nnk h PHE 274 N 0.66 0.68 -0.15 1.25 0.04 -1.08 -1.55 116.94 116.78 3nnk h PHE 274 Ca 0.19 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 3nnk h PHE 274 Cb -0.02 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 3nnk h PHE 274 CO -0.00 0.70 0.09 0.78 -0.60 0.00 0.00 178.31 179.27 3nnk h GLY 275 N 0.47 0.22 1.75 -1.45 0.00 -0.45 -2.31 103.07 101.30 3nnk h GLY 275 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3nnk h GLY 275 CO 0.01 0.09 0.01 0.00 0.00 0.00 0.00 176.54 176.65 3nnk h ALA 276 N 1.00 1.60 -0.30 3.60 0.00 -0.76 -2.65 119.26 121.76 3nnk h ALA 276 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 276 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3nnk h ALA 276 CO -0.01 0.30 -0.05 -0.09 0.00 0.00 0.00 179.25 179.39 3nnk h ARG 277 N 0.32 0.56 -0.01 0.00 2.43 -0.99 -3.04 114.38 113.65 3nnk h ARG 277 Ca 0.07 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3nnk h ARG 277 Cb 0.21 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3nnk h ARG 277 CO 0.00 0.74 0.00 0.93 -1.51 0.00 0.00 179.97 180.14 3nnk h GLU 278 N 0.33 0.01 -0.54 0.20 4.39 -1.26 -1.78 114.58 115.93 3nnk h GLU 278 Ca 0.08 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.87 3nnk h GLU 278 Cb 0.53 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.07 3nnk h GLU 278 CO 0.03 0.13 -0.34 0.00 -1.16 0.00 0.00 179.01 177.67 3nnk h ALA 280 N 0.91 0.81 -0.39 0.00 0.00 -1.53 -2.00 119.26 117.07 3nnk h ALA 280 Ca 0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 280 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3nnk h ALA 280 CO -0.64 0.66 0.23 -0.09 0.00 0.00 0.00 179.25 179.41 3nnk h ARG 281 N 0.86 0.53 -0.46 0.00 2.43 -0.39 -1.20 114.38 116.16 3nnk h ARG 281 Ca 0.13 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3nnk h ARG 281 Cb 0.67 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3nnk h ARG 281 CO 0.05 0.40 0.06 -0.07 -1.51 0.00 0.00 179.97 178.90 3nnk h LEU 282 N 0.51 0.74 -0.35 3.80 3.38 -0.58 0.51 115.31 123.32 3nnk h LEU 282 Ca 0.14 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3nnk h LEU 282 Cb 0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3nnk h LEU 282 CO -0.03 0.82 0.14 0.40 0.09 0.00 0.00 178.44 179.86 3nnk h ILE 283 N 0.63 0.93 0.00 1.22 2.04 -1.22 0.38 117.51 121.48 3nnk h ILE 283 Ca 0.14 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 3nnk h ILE 283 Cb 0.40 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3nnk h ILE 283 CO 0.01 0.05 -0.25 -0.07 0.00 0.00 0.00 178.15 177.90 3nnk h LEU 284 N 0.30 0.00 0.10 1.44 3.38 -1.09 0.25 115.31 119.68 3nnk h LEU 284 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3nnk h LEU 284 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3nnk h LEU 284 CO -0.14 0.25 -0.05 1.56 0.09 0.00 0.00 178.44 180.15 3nnk h GLN 285 N 0.00 -0.13 -0.54 1.13 4.20 -0.50 -3.22 115.11 116.05 3nnk h GLN 285 Ca -0.00 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3nnk h GLN 285 Cb 0.94 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 3nnk h GLN 285 CO 0.03 0.29 0.32 1.49 -0.67 0.00 0.00 178.83 180.29 3nnk h GLU 286 N -0.58 0.62 0.00 1.46 4.81 -0.85 -3.49 114.58 116.56 3nnk h GLU 286 Ca -0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3nnk h GLU 286 Cb 0.47 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3nnk h GLU 286 CO 0.02 0.41 0.00 0.41 -0.73 0.00 0.00 179.01 179.13 3nnk n GLY 287 N -1.25 2.43 0.30 1.92 0.00 0.86 -4.76 105.19 104.69 3nnk n GLY 287 Ca 0.04 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.69 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 0.95 -0.42 0.99 5.85 -1.85 -1.23 115.31 119.60 3nnk h LEU 288 Ca 0.00 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3nnk h LEU 288 Cb 0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3nnk h LEU 288 CO 0.00 0.82 0.23 0.44 -0.34 0.00 0.00 178.44 179.59 3nnk h ASP 289 N 1.00 0.52 -0.19 1.25 3.45 -1.93 -2.04 116.42 118.49 3nnk h ASP 289 Ca 0.24 -0.09 -0.08 0.00 0.43 0.00 0.00 57.03 57.53 3nnk h ASP 289 Cb 0.14 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 3nnk h ASP 289 CO -0.03 0.46 -0.14 1.88 -1.57 0.00 0.00 179.24 179.83 3nnk h TYR 290 N 0.54 0.64 -0.43 4.55 0.05 -1.81 -1.31 116.97 119.20 3nnk h TYR 290 Ca 0.15 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3nnk h TYR 290 Cb 0.05 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 3nnk h TYR 290 CO -0.02 0.70 0.25 0.78 -1.05 0.00 0.00 178.16 178.82 3nnk h GLY 291 N 0.96 0.64 0.93 3.88 0.00 -1.02 0.61 103.07 109.06 3nnk h GLY 291 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3nnk h GLY 291 CO 0.04 0.27 0.10 -2.22 0.00 0.00 0.00 176.54 174.72 3nnk h ILE 292 N 0.57 1.12 -0.89 2.60 2.04 -1.17 -2.20 117.51 119.58 3nnk h ILE 292 Ca 0.15 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.76 3nnk h ILE 292 Cb 0.03 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3nnk h ILE 292 CO -0.03 0.12 0.54 0.00 0.00 0.00 0.00 178.15 178.78 3nnk h ALA 293 N 0.97 1.28 -0.37 1.87 0.00 -1.05 -1.10 119.26 120.87 3nnk h ALA 293 Ca 0.07 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3nnk h ALA 293 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3nnk h ALA 293 CO -0.01 0.21 0.19 -0.09 0.00 0.00 0.00 179.25 179.55 3nnk h ARG 294 N 0.93 0.38 -0.24 0.00 2.43 -0.66 -1.40 114.38 115.82 3nnk h ARG 294 Ca 0.42 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3nnk h ARG 294 Cb 0.32 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3nnk h ARG 294 CO -0.22 0.25 -0.07 0.45 -1.51 0.00 0.00 179.97 178.87 3nnk h HIS 295 N 0.39 0.40 -0.00 2.20 3.86 -0.70 -2.74 115.15 118.56 3nnk h HIS 295 Ca 0.15 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3nnk h HIS 295 Cb 0.04 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 3nnk h HIS 295 CO -0.09 0.46 -0.00 -0.22 0.86 0.00 0.00 177.93 178.94 3nnk h LYS 296 N 0.37 0.00 0.03 2.45 3.64 -0.84 -1.84 116.57 120.39 3nnk h LYS 296 Ca 0.08 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3nnk h LYS 296 Cb 0.36 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3nnk h LYS 296 CO 0.02 0.35 -0.25 1.25 -2.27 0.00 0.00 179.45 178.55 3nnk h LEU 297 N -0.34 -0.73 -0.16 5.20 5.85 -1.05 0.28 115.31 124.35 3nnk h LEU 297 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3nnk h LEU 297 Cb 0.35 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3nnk h LEU 297 CO 0.00 -0.32 0.00 0.45 -0.34 0.00 0.00 178.44 178.23 3nnk h HIS 298 N -0.41 0.00 0.18 1.25 3.86 -1.60 -0.32 115.15 118.12 3nnk h HIS 298 Ca 0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3nnk h HIS 298 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 3nnk h HIS 298 CO -0.27 0.00 -0.09 0.78 0.86 0.00 0.00 177.93 179.21 3nnk h GLY 299 N 3.87 -0.26 0.99 2.45 0.00 -0.95 -2.99 103.07 106.18 3nnk h GLY 299 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.46 3nnk h GLY 299 CO 0.00 -0.09 0.60 -0.55 0.00 0.00 0.00 176.54 176.49 3nnk h ASP 300 N -0.77 0.98 -0.80 0.19 3.32 -0.32 -2.42 116.42 116.60 3nnk h ASP 300 Ca -0.03 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3nnk h ASP 300 Cb 0.52 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3nnk h ASP 300 CO 0.04 0.68 0.49 0.00 -1.72 0.00 0.00 179.24 178.72 3nnk h ALA 301 N 1.47 1.02 -0.39 3.45 0.00 -1.14 -2.55 119.26 121.11 3nnk h ALA 301 Ca 0.36 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3nnk h ALA 301 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3nnk h ALA 301 CO -0.11 0.48 0.11 1.25 0.00 0.00 0.00 179.25 180.99 3nnk h LEU 302 N 1.10 0.59 -0.19 0.00 5.85 -1.30 -2.43 115.31 118.94 3nnk h LEU 302 Ca 0.29 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3nnk h LEU 302 Cb -0.05 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 3nnk h LEU 302 CO -0.05 0.65 -0.26 0.58 -0.34 0.00 0.00 178.44 179.02 3nnk h VAL 303 N 0.49 0.38 -0.53 1.05 2.07 -1.16 0.15 116.25 118.70 3nnk h VAL 303 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3nnk h VAL 303 Cb 0.28 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3nnk h VAL 303 CO -0.00 0.00 0.34 0.11 0.02 0.00 0.00 177.57 178.03 3nnk h LYS 304 N -0.30 0.71 -0.77 1.57 1.57 -1.41 0.21 116.57 118.16 3nnk h LYS 304 Ca 0.12 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3nnk h LYS 304 Cb 0.48 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3nnk h LYS 304 CO -0.36 0.50 0.45 0.78 -0.57 0.00 0.00 179.45 180.25 3nnk h GLY 305 N 0.72 1.12 0.84 3.86 0.00 -1.10 -0.06 103.07 108.45 3nnk h GLY 305 Ca 0.19 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3nnk h GLY 305 CO -0.04 0.47 -0.08 -2.22 0.00 0.00 0.00 176.54 174.67 3nnk h ILE 306 N 1.05 1.29 0.21 2.60 1.08 -0.50 -2.14 117.51 121.11 3nnk h ILE 306 Ca 0.27 -1.12 -0.00 0.00 -0.39 0.00 0.00 64.86 63.62 3nnk h ILE 306 Cb -0.01 1.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 3nnk h ILE 306 CO -0.05 0.34 -0.14 1.56 -0.69 0.00 0.00 178.15 179.17 3nnk h GLN 307 N 0.19 -0.34 0.00 2.37 4.20 -0.45 -2.62 115.11 118.47 3nnk h GLN 307 Ca 0.06 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3nnk h GLN 307 Cb 0.56 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3nnk h GLN 307 CO 0.03 -0.23 0.00 0.00 -0.67 0.00 0.00 178.83 177.96 3nnk n ALA 308 N -2.32 1.61 1.31 3.87 0.00 -0.05 -1.19 120.51 123.74 3nnk n ALA 308 Ca -0.09 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.51 3nnk n ALA 308 Cb 0.18 -1.28 0.68 0.00 0.00 0.00 0.00 19.45 19.03 3nnk n ALA 308 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3nnk n MET 309 N -1.80 0.35 -1.85 0.00 0.00 -0.80 -4.08 117.12 108.94 3nnk n MET 309 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.69 3nnk n MET 309 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.90 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 1.34 0.93 3.30 -5.12 0.00 -0.33 -4.79 105.19 100.53 3nnk n GLY 310 Ca 0.12 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 3nnk n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nnk s LEU 311 N -0.81 2.14 0.25 0.99 1.43 -1.08 -5.06 118.68 116.54 3nnk s LEU 311 Ca 0.00 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 3nnk s LEU 311 Cb 0.00 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.94 3nnk s LEU 311 CO 0.00 0.24 0.81 -1.61 0.23 0.00 0.00 176.35 176.02 3nnk s GLU 312 N -1.09 4.42 0.04 1.70 0.41 -1.26 -4.34 118.70 118.59 3nnk s GLU 312 Ca 0.10 1.08 0.03 0.00 -0.41 0.00 0.00 54.97 55.76 3nnk s GLU 312 Cb -0.09 -2.91 -0.04 0.00 -1.78 0.00 0.00 34.13 29.31 3nnk s GLU 312 CO 0.01 0.38 0.03 0.95 -0.49 0.00 0.00 175.26 176.14 3nnk s THR 313 N -1.50 4.26 -0.08 3.63 -4.23 -1.26 -1.15 115.64 115.31 3nnk s THR 313 Ca 0.44 -0.73 -0.13 0.00 -1.18 0.00 0.00 61.69 60.09 3nnk s THR 313 Cb -0.18 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.63 3nnk s THR 313 CO 0.23 0.24 0.33 0.12 -0.54 0.00 0.00 174.62 175.00 3nnk s PHE 314 N -1.23 3.61 0.00 3.99 5.36 -0.29 -4.89 117.98 124.53 3nnk s PHE 314 Ca 0.24 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.00 3nnk s PHE 314 Cb -0.12 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.30 3nnk s PHE 314 CO 0.16 0.51 0.00 0.41 -1.46 0.00 0.00 175.22 174.84 3nnk n GLY 315 N 2.40 -0.21 3.59 13.12 0.00 -1.26 -4.57 105.19 118.26 3nnk n GLY 315 Ca -0.14 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 3nnk n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nnk s ASP 316 N -1.75 6.23 0.50 1.61 2.15 -1.13 -4.90 116.67 119.39 3nnk s ASP 316 Ca 0.00 0.60 0.26 0.00 0.43 0.00 0.00 52.55 53.84 3nnk s ASP 316 Cb 0.00 -2.54 1.33 0.00 -0.30 0.00 0.00 42.92 41.41 3nnk s ASP 316 CO 0.00 -1.56 2.02 -0.07 -0.17 0.00 0.00 175.17 175.39 3nnk h LEU 317 N 12.66 0.00 -0.90 -1.34 3.38 -1.93 -2.72 115.31 124.45 3nnk h LEU 317 Ca -0.27 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.85 3nnk h LEU 317 Cb 1.10 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 3nnk h LEU 317 CO 1.12 0.15 0.50 0.11 0.09 0.00 0.00 178.44 180.41 3nnk h LYS 318 N 0.00 0.69 -1.10 1.13 1.57 -2.02 -2.75 116.57 114.10 3nnk h LYS 318 Ca -0.00 -0.04 -0.61 0.00 -1.87 0.00 0.00 60.65 58.12 3nnk h LYS 318 Cb 0.41 -0.16 -0.38 0.00 0.08 0.00 0.00 32.23 32.18 3nnk h LYS 318 CO 0.02 0.46 -0.20 0.72 -0.57 0.00 0.00 179.45 179.88 3nnk n HIS 319 N -4.81 3.03 -3.11 -1.35 8.25 -1.03 -5.03 115.22 111.18 3nnk n HIS 319 Ca 0.18 -2.61 -0.39 0.00 -0.26 0.00 0.00 57.72 54.65 3nnk n HIS 319 Cb 0.44 -0.64 -0.06 0.00 1.12 0.00 0.00 29.99 30.85 3nnk n HIS 319 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3nnk s LYS 320 N -3.69 4.38 0.30 -0.41 2.20 -1.04 0.72 119.74 122.20 3nnk s LYS 320 Ca 0.54 0.95 -0.29 0.00 -0.36 0.00 0.00 55.97 56.81 3nnk s LYS 320 Cb 0.43 -3.19 -0.10 0.00 -1.51 0.00 0.00 37.83 33.46 3nnk s LYS 320 CO -0.07 0.57 1.38 -1.64 -0.36 0.00 0.00 175.35 175.24 3nnk s MET 321 N -1.27 4.29 0.54 4.03 -1.94 -0.49 -4.75 119.30 119.70 3nnk s MET 321 Ca 0.34 2.30 0.24 0.00 -1.71 0.00 0.00 55.69 56.86 3nnk s MET 321 Cb -0.21 -3.07 1.41 0.00 2.01 0.00 0.00 34.83 34.97 3nnk s MET 321 CO 0.23 -0.33 2.04 -0.91 -0.01 0.00 0.00 175.02 176.04 3nnk h ASN 322 N 4.01 0.00 -0.02 3.03 2.35 -1.86 -3.16 115.58 119.93 3nnk h ASN 322 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3nnk h ASN 322 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3nnk h ASN 322 CO 0.70 0.00 -0.33 -0.46 -1.65 0.00 0.00 177.43 175.69 3nnk n ASN 323 N -4.31 1.96 -3.91 5.81 6.94 -1.26 -3.89 115.26 116.60 3nnk n ASN 323 Ca 0.06 -1.48 -0.11 0.00 -0.02 0.00 0.00 54.58 53.04 3nnk n ASN 323 Cb 0.47 0.39 -0.11 0.00 -2.36 0.00 0.00 39.78 38.17 3nnk n ASN 323 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3nnk s VAL 324 N -2.07 0.07 -0.02 3.53 1.01 -1.19 0.34 120.40 122.07 3nnk s VAL 324 Ca 0.17 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3nnk s VAL 324 Cb 0.15 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.26 3nnk s VAL 324 CO 0.44 -0.33 -0.05 -0.22 0.00 0.00 0.00 175.10 174.94 3nnk s LEU 325 N -1.04 1.71 -0.28 3.92 0.20 -0.61 -4.42 118.68 118.15 3nnk s LEU 325 Ca -0.11 -0.11 -0.17 0.00 0.69 0.00 0.00 54.13 54.43 3nnk s LEU 325 Cb -0.07 -0.36 -0.03 0.00 -0.43 0.00 0.00 46.19 45.31 3nnk s LEU 325 CO 0.00 0.02 0.45 -0.83 -0.29 0.00 0.00 176.35 175.70 3nnk s GLY 326 N 0.31 1.86 -0.21 7.98 0.00 -1.26 -1.79 107.32 114.20 3nnk s GLY 326 Ca -0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 3nnk s GLY 326 CO -0.00 1.13 -0.06 0.14 0.00 0.00 0.00 173.10 174.31 3nnk s VAL 327 N 2.21 3.28 0.17 1.40 1.01 0.56 -1.13 120.40 127.89 3nnk s VAL 327 Ca 0.18 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 3nnk s VAL 327 Cb -0.16 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.66 3nnk s VAL 327 CO 0.10 0.44 1.24 -0.69 0.00 0.00 0.00 175.10 176.19 3nnk s VAL 328 N 1.41 3.52 -0.49 2.92 1.01 -0.30 0.33 120.40 128.80 3nnk s VAL 328 Ca 0.05 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 63.00 3nnk s VAL 328 Cb -0.14 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.48 3nnk s VAL 328 CO -0.04 0.17 1.00 -0.63 0.00 0.00 0.00 175.10 175.61 3nnk s ILE 329 N 0.20 4.35 0.31 2.22 1.01 0.13 -4.58 121.20 124.85 3nnk s ILE 329 Ca 0.55 0.80 -0.29 0.00 0.00 0.00 0.00 60.65 61.71 3nnk s ILE 329 Cb -0.33 -4.52 -0.12 0.00 0.01 0.00 0.00 42.46 37.50 3nnk s ILE 329 CO 0.36 -0.97 1.48 -2.65 0.00 0.00 0.00 174.94 173.16 3nnk n PRO 330 N 7.49 2.47 -1.66 2.79 -0.02 -1.26 -4.88 135.00 139.92 3nnk n PRO 330 Ca 0.07 0.87 -0.45 0.00 -2.02 0.00 0.00 63.50 61.97 3nnk n PRO 330 Cb 0.49 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3nnk n PRO 330 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nnk n GLN 331 N 1.40 1.99 0.00 -0.52 0.00 -1.26 -1.75 117.38 117.23 3nnk n GLN 331 Ca 0.06 0.71 0.00 0.00 0.00 0.00 0.00 57.00 57.77 3nnk n GLN 331 Cb 0.36 -2.38 0.00 0.00 0.00 0.00 0.00 30.24 28.23 3nnk n GLN 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3nnk n GLY 332 N 2.35 2.40 3.86 2.61 0.00 -1.26 -5.06 105.19 110.08 3nnk n GLY 332 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.67 5.40 -0.45 -0.61 -5.25 -0.72 -5.07 121.20 111.84 3nnk s ILE 333 Ca 0.00 0.34 -0.20 0.00 -0.99 0.00 0.00 60.65 59.80 3nnk s ILE 333 Cb 0.00 -3.47 0.03 0.00 2.95 0.00 0.00 42.46 41.97 3nnk s ILE 333 CO 0.00 0.59 0.64 0.21 -1.79 0.00 0.00 174.94 174.59 3nnk s ASN 334 N -0.90 6.30 0.20 4.36 3.84 -1.26 -4.83 114.94 122.65 3nnk s ASN 334 Ca 0.16 -0.45 -0.10 0.00 0.21 0.00 0.00 52.86 52.68 3nnk s ASN 334 Cb -0.13 -2.31 0.26 0.00 -0.55 0.00 0.00 41.25 38.52 3nnk s ASN 334 CO 0.05 -0.81 1.74 1.23 -2.79 0.00 0.00 177.10 176.53 3nnk h GLY 335 N 9.72 0.82 1.61 1.21 0.00 -1.96 -1.68 103.07 112.80 3nnk h GLY 335 Ca -0.26 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 3nnk h GLY 335 CO 0.91 -0.01 -0.18 1.29 0.00 0.00 0.00 176.54 178.54 3nnk h ASP 336 N 0.40 0.46 -0.29 0.19 -0.00 -1.93 -2.83 116.42 112.42 3nnk h ASP 336 Ca 0.30 -0.13 -0.10 0.00 -0.00 0.00 0.00 57.03 57.09 3nnk h ASP 336 Cb 0.36 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 39.56 3nnk h ASP 336 CO -0.30 0.66 -0.23 -0.61 -0.00 0.00 0.00 179.24 178.76 3nnk h GLN 337 N 0.42 0.66 -0.77 4.15 4.15 -1.75 -1.65 115.11 120.33 3nnk h GLN 337 Ca 0.07 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 3nnk h GLN 337 Cb 0.57 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 3nnk h GLN 337 CO 0.04 0.93 0.44 0.00 -1.93 0.00 0.00 178.83 178.31 3nnk h ALA 338 N 0.72 0.98 -0.77 3.38 0.00 -1.36 -1.86 119.26 120.35 3nnk h ALA 338 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3nnk h ALA 338 Cb 0.78 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3nnk h ALA 338 CO 0.06 0.47 0.43 0.00 0.00 0.00 0.00 179.25 180.21 3nnk h ARG 339 N 1.05 1.07 -0.50 0.00 3.08 -1.42 -1.11 114.38 116.55 3nnk h ARG 339 Ca 0.27 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3nnk h ARG 339 Cb -0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3nnk h ARG 339 CO -0.05 0.79 0.18 -0.22 -1.07 0.00 0.00 179.97 179.60 3nnk h LYS 340 N 1.06 0.76 0.00 0.04 3.64 -0.92 -1.52 116.57 119.64 3nnk h LYS 340 Ca 0.27 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 3nnk h LYS 340 Cb 0.02 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3nnk h LYS 340 CO -0.04 0.69 -0.52 -0.07 -2.27 0.00 0.00 179.45 177.24 3nnk h LEU 341 N 0.67 0.00 -0.18 5.20 3.38 -1.22 -0.01 115.31 123.16 3nnk h LEU 341 Ca 0.17 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 3nnk h LEU 341 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3nnk h LEU 341 CO -0.01 0.52 -0.61 0.24 0.09 0.00 0.00 178.44 178.67 3nnk h MET 342 N 0.00 0.74 0.04 1.13 2.86 -1.04 -2.04 114.93 116.62 3nnk h MET 342 Ca -0.01 -0.55 -0.11 0.00 -2.06 0.00 0.00 59.70 56.98 3nnk h MET 342 Cb 1.14 0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.91 3nnk h MET 342 CO 0.07 1.17 -0.45 1.25 1.06 0.00 0.00 176.91 180.00 3nnk h LEU 343 N 0.45 0.32 0.08 1.22 5.85 -1.01 0.35 115.31 122.57 3nnk h LEU 343 Ca -0.02 -0.87 -0.26 0.00 0.84 0.00 0.00 57.88 57.57 3nnk h LEU 343 Cb 1.24 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3nnk h LEU 343 CO 0.13 1.16 -1.19 -0.33 -0.34 0.00 0.00 178.44 177.86 3nnk h GLU 344 N -0.48 0.18 0.00 1.25 5.08 -1.13 -2.70 114.58 116.79 3nnk h GLU 344 Ca -0.07 -0.30 -0.30 0.00 -1.00 0.00 0.00 59.36 57.69 3nnk h GLU 344 Cb 1.27 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.57 3nnk h GLU 344 CO 0.09 1.13 -2.24 -0.25 -1.00 0.00 0.00 179.01 176.73 3nnk n ASP 345 N -3.46 0.38 -0.00 1.42 9.92 -0.77 -4.62 116.55 119.42 3nnk n ASP 345 Ca -0.06 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.23 3nnk n ASP 345 Cb 1.00 1.08 -0.04 0.00 -0.64 0.00 0.00 41.12 42.51 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3nnk n PHE 346 N -2.64 0.00 -1.21 1.24 3.72 -1.04 -5.01 117.46 112.52 3nnk n PHE 346 Ca -0.27 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.05 3nnk n PHE 346 Cb 1.04 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 39.53 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 1.26 0.92 3.45 1.37 0.00 -0.48 -4.90 105.19 106.81 3nnk n GLY 347 Ca 0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.18 3.77 -0.19 -0.61 1.01 -0.01 -0.42 121.20 122.57 3nnk s ILE 348 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.09 3nnk s ILE 348 Cb 0.00 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 3nnk s ILE 348 CO 0.00 0.47 0.47 -0.70 0.00 0.00 0.00 174.94 175.18 3nnk s GLU 349 N 0.70 4.19 0.09 2.79 2.12 0.81 -2.58 118.70 126.83 3nnk s GLU 349 Ca -0.02 0.34 0.09 0.00 0.36 0.00 0.00 54.97 55.74 3nnk s GLU 349 Cb -0.14 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 3nnk s GLU 349 CO 0.02 -0.09 -0.20 0.96 -0.54 0.00 0.00 175.26 175.41 3nnk s ILE 350 N 1.45 2.68 0.11 -3.70 -4.36 -1.26 -0.55 121.20 115.57 3nnk s ILE 350 Ca 0.22 -1.45 -0.28 0.00 -0.26 0.00 0.00 60.65 58.88 3nnk s ILE 350 Cb -0.15 -2.18 -0.06 0.00 1.25 0.00 0.00 42.46 41.31 3nnk s ILE 350 CO 0.09 0.18 0.90 -0.83 0.24 0.00 0.00 174.94 175.52 3nnk s GLY 351 N -1.88 2.96 0.64 6.27 0.00 -0.06 -4.86 107.32 110.40 3nnk s GLY 351 Ca 0.16 0.49 -0.12 0.00 0.00 0.00 0.00 44.72 45.26 3nnk s GLY 351 CO 0.08 1.29 1.04 -1.08 0.00 0.00 0.00 173.10 174.43 3nnk s THR 352 N -0.24 4.44 0.02 0.90 -1.32 -1.26 -0.74 115.64 117.44 3nnk s THR 352 Ca 0.43 0.83 -0.07 0.00 -1.21 0.00 0.00 61.69 61.68 3nnk s THR 352 Cb -0.23 -3.69 -0.05 0.00 -1.51 0.00 0.00 72.50 67.03 3nnk s THR 352 CO 0.28 -1.00 0.29 -0.44 -2.21 0.00 0.00 174.62 171.54 3nnk s SER 353 N -3.92 6.51 0.38 8.08 0.01 -1.21 -4.66 113.70 118.89 3nnk s SER 353 Ca 0.57 0.58 0.08 0.00 1.31 0.00 0.00 55.95 58.49 3nnk s SER 353 Cb -0.12 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 3nnk s SER 353 CO 0.52 0.24 0.30 -0.36 0.41 0.00 0.00 173.24 174.34 3nnk s PHE 354 N -1.32 2.77 0.00 2.43 0.08 -1.26 -3.82 117.98 116.85 3nnk s PHE 354 Ca 0.29 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.92 3nnk s PHE 354 Cb -0.13 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 3nnk s PHE 354 CO 0.17 0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.78 3nnk n GLY 355 N -1.40 0.62 0.21 4.36 0.00 -1.26 -3.89 105.19 103.83 3nnk n GLY 355 Ca 0.00 -0.88 0.15 0.00 0.00 0.00 0.00 46.02 45.30 3nnk n GLY 355 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 356 N 0.00 0.00 -0.11 1.61 0.13 -2.00 -2.60 132.00 129.03 3nnk h PRO 356 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3nnk h PRO 356 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3nnk h PRO 356 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 3nnk n LEU 357 N -2.57 2.69 -4.67 1.56 4.77 -1.25 -4.95 117.00 112.58 3nnk n LEU 357 Ca -0.01 -1.15 -0.44 0.00 -0.03 0.00 0.00 56.01 54.38 3nnk n LEU 357 Cb 0.14 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3nnk n LEU 357 CO 0.17 0.51 1.54 1.57 -1.33 0.00 0.00 177.39 179.86 3nnk n HIS 358 N 1.06 2.46 -0.74 -1.77 -0.00 -0.98 -1.03 115.22 114.21 3nnk n HIS 358 Ca 0.12 -0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.09 3nnk n HIS 358 Cb 0.48 -2.74 0.00 0.00 -0.12 0.00 0.00 29.99 27.60 3nnk n HIS 358 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3nnk n GLY 359 N 4.44 1.02 0.04 1.57 0.00 -1.26 -4.85 105.19 106.15 3nnk n GLY 359 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 1.76 -4.53 1.61 4.76 -0.20 -4.67 118.16 114.89 3nnk n LYS 360 Ca 0.00 0.02 -0.21 0.00 -2.87 0.00 0.00 58.31 55.25 3nnk n LYS 360 Cb 0.00 -1.20 -0.15 0.00 -1.84 0.00 0.00 35.03 31.84 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 -2.20 1.05 -0.01 -0.18 1.01 -0.94 0.18 120.40 119.31 3nnk s VAL 361 Ca -0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3nnk s VAL 361 Cb 0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3nnk s VAL 361 CO 0.29 0.22 0.16 0.26 0.00 0.00 0.00 175.10 176.03 3nnk s TRP 362 N -0.45 3.49 -0.36 5.22 0.51 0.15 -3.29 118.94 124.22 3nnk s TRP 362 Ca 0.04 0.33 -0.04 0.00 -2.12 0.00 0.00 56.10 54.31 3nnk s TRP 362 Cb -0.06 -1.81 0.07 0.00 -0.81 0.00 0.00 33.47 30.86 3nnk s TRP 362 CO -0.00 0.63 0.12 1.03 -0.51 0.00 0.00 176.95 178.22 3nnk s ARG 363 N -1.84 2.39 -0.28 4.98 0.52 0.08 -0.33 118.95 124.48 3nnk s ARG 363 Ca 0.25 -1.42 -0.09 0.00 -0.52 0.00 0.00 55.73 53.95 3nnk s ARG 363 Cb -0.12 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 3nnk s ARG 363 CO 0.17 -0.80 0.14 0.42 0.02 0.00 0.00 175.30 175.24 3nnk s ILE 364 N 1.29 4.77 0.07 1.52 1.01 -0.74 -0.88 121.20 128.24 3nnk s ILE 364 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 3nnk s ILE 364 Cb -0.21 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 3nnk s ILE 364 CO -0.00 0.24 0.32 -0.83 0.00 0.00 0.00 174.94 174.67 3nnk s GLY 365 N 1.67 2.26 -0.46 6.18 0.00 0.21 -1.57 107.32 115.61 3nnk s GLY 365 Ca 0.06 -0.56 0.08 0.00 0.00 0.00 0.00 44.72 44.31 3nnk s GLY 365 CO 0.07 -0.41 0.63 -1.30 0.00 0.00 0.00 173.10 172.08 3nnk n THR 366 N 0.68 0.30 -4.32 0.90 -2.24 0.15 -4.45 114.28 105.30 3nnk n THR 366 Ca -0.07 -4.46 -0.28 0.00 -2.27 0.00 0.00 64.05 56.97 3nnk n THR 366 Cb 0.52 -1.72 -0.11 0.00 -2.10 0.00 0.00 70.33 66.92 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 -1.79 1.82 4.93 -0.78 -1.94 -1.26 -4.28 119.30 116.01 3nnk s MET 367 Ca 0.38 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.08 3nnk s MET 367 Cb 0.20 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.96 3nnk s MET 367 CO -0.08 0.45 0.00 0.41 -0.01 0.00 0.00 175.02 175.78 3nnk n GLY 368 N 0.44 3.03 0.38 -0.03 0.00 -1.26 -1.36 105.19 106.39 3nnk n GLY 368 Ca -0.13 -0.13 0.20 0.00 0.00 0.00 0.00 46.02 45.95 3nnk n GLY 368 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3nnk h TYR 369 N 0.00 0.00 -0.03 1.61 3.20 -1.83 0.80 116.97 120.73 3nnk h TYR 369 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3nnk h TYR 369 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3nnk h TYR 369 CO 0.00 0.00 0.00 0.09 -1.64 0.00 0.00 178.16 176.61 3nnk n ASN 370 N -4.06 1.15 -3.64 -2.11 4.13 -0.46 -4.46 115.26 105.80 3nnk n ASN 370 Ca 0.08 -1.42 -0.41 0.00 1.68 0.00 0.00 54.58 54.50 3nnk n ASN 370 Cb 0.56 -0.01 -0.01 0.00 -1.54 0.00 0.00 39.78 38.78 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 -0.09 6.01 -2.30 5.41 0.00 0.27 -4.42 120.51 125.40 3nnk n ALA 371 Ca 0.19 -3.81 -0.16 0.00 0.00 0.00 0.00 53.44 49.66 3nnk n ALA 371 Cb 0.29 -3.49 -0.10 0.00 0.00 0.00 0.00 19.45 16.15 3nnk n ALA 371 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nnk s ARG 372 N 2.87 1.22 0.21 0.00 0.52 -1.26 -4.83 118.95 117.68 3nnk s ARG 372 Ca 0.52 -1.57 -0.08 0.00 -0.52 0.00 0.00 55.73 54.08 3nnk s ARG 372 Cb 0.15 -0.74 0.15 0.00 0.52 0.00 0.00 34.95 35.03 3nnk s ARG 372 CO -0.08 0.04 1.79 -0.22 0.02 0.00 0.00 175.30 176.84 3nnk h LYS 373 N 2.61 1.15 0.00 3.54 3.64 -1.98 -2.70 116.57 122.84 3nnk h LYS 373 Ca -0.38 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 58.73 3nnk h LYS 373 Cb 1.21 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3nnk h LYS 373 CO 0.64 0.92 -0.38 0.38 -2.27 0.00 0.00 179.45 178.73 3nnk h ASP 374 N 1.12 0.00 -0.13 4.20 2.03 -1.97 0.01 116.42 121.68 3nnk h ASP 374 Ca 0.27 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.34 3nnk h ASP 374 Cb 0.17 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.68 3nnk h ASP 374 CO -0.03 0.38 -0.77 0.00 -1.03 0.00 0.00 179.24 177.80 3nnk h VAL 376 N 0.54 1.17 -0.51 0.00 2.07 -1.20 -2.23 116.25 116.09 3nnk h VAL 376 Ca -0.05 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3nnk h VAL 376 Cb 1.40 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 3nnk h VAL 376 CO 0.16 0.13 0.29 0.24 0.02 0.00 0.00 177.57 178.41 3nnk h MET 377 N -0.17 0.70 -0.68 1.57 2.07 -1.07 -1.26 114.93 116.09 3nnk h MET 377 Ca 0.01 -0.07 -0.07 0.00 -2.07 0.00 0.00 59.70 57.49 3nnk h MET 377 Cb 0.21 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 29.77 3nnk h MET 377 CO -0.00 0.53 0.15 1.15 1.07 0.00 0.00 176.91 179.81 3nnk h THR 378 N 0.68 1.26 -0.13 2.22 2.02 -1.40 -2.59 112.91 114.96 3nnk h THR 378 Ca 0.18 -0.97 -0.11 0.00 0.77 0.00 0.00 66.41 66.28 3nnk h THR 378 Cb 0.02 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3nnk h THR 378 CO -0.03 0.37 -0.35 0.74 0.37 0.00 0.00 175.52 176.62 3nnk h THR 379 N 1.03 1.37 -0.77 3.16 2.02 -1.21 -2.37 112.91 116.13 3nnk h THR 379 Ca 0.21 -1.64 0.04 0.00 0.77 0.00 0.00 66.41 65.79 3nnk h THR 379 Cb 0.38 2.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.81 3nnk h THR 379 CO 0.00 0.49 0.48 -0.07 0.37 0.00 0.00 175.52 176.80 3nnk h LEU 380 N 0.07 0.79 -0.42 2.58 3.38 -1.23 -1.16 115.31 119.32 3nnk h LEU 380 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3nnk h LEU 380 Cb 0.96 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3nnk h LEU 380 CO 0.08 0.54 -0.74 0.77 0.09 0.00 0.00 178.44 179.18 3nnk h SER 381 N 0.93 0.41 -0.24 -0.43 4.64 -1.50 -2.74 113.55 114.63 3nnk h SER 381 Ca 0.31 -0.28 -0.20 0.00 -0.47 0.00 0.00 61.79 61.16 3nnk h SER 381 Cb 0.04 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3nnk h SER 381 CO -0.12 1.01 -0.64 0.00 -0.87 0.00 0.00 176.83 176.21 3nnk h ALA 382 N 0.98 0.39 0.11 5.18 0.00 -1.18 -1.89 119.26 122.85 3nnk h ALA 382 Ca -0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3nnk h ALA 382 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3nnk h ALA 382 CO 0.12 0.68 -0.05 1.25 0.00 0.00 0.00 179.25 181.25 3nnk h LEU 383 N 0.62 -0.13 -0.89 0.00 6.46 -1.26 -0.45 115.31 119.66 3nnk h LEU 383 Ca -0.01 -0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.70 3nnk h LEU 383 Cb 1.26 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 41.16 3nnk h LEU 383 CO 0.14 0.03 0.56 -0.08 -0.62 0.00 0.00 178.44 178.47 3nnk h GLU 384 N -0.28 1.00 -0.59 1.25 4.81 -1.53 0.21 114.58 119.45 3nnk h GLU 384 Ca -0.02 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3nnk h GLU 384 Cb 0.23 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3nnk h GLU 384 CO 0.02 0.66 0.22 0.00 -0.73 0.00 0.00 179.01 179.18 3nnk h ALA 385 N 1.41 0.76 -0.47 2.92 0.00 -1.21 0.66 119.26 123.33 3nnk h ALA 385 Ca 0.38 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3nnk h ALA 385 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3nnk h ALA 385 CO -0.16 0.40 0.07 0.28 0.00 0.00 0.00 179.25 179.83 3nnk h VAL 386 N 0.82 1.25 0.10 0.00 2.07 -0.23 -1.34 116.25 118.91 3nnk h VAL 386 Ca 0.19 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3nnk h VAL 386 Cb 0.23 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3nnk h VAL 386 CO -0.01 0.33 -0.05 -0.07 0.02 0.00 0.00 177.57 177.79 3nnk h LEU 387 N 0.66 -0.11 -0.96 2.57 3.38 -0.48 -0.99 115.31 119.38 3nnk h LEU 387 Ca 0.14 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.98 3nnk h LEU 387 Cb 0.40 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3nnk h LEU 387 CO 0.01 0.17 0.60 0.78 0.09 0.00 0.00 178.44 180.08 3nnk h ASN 388 N -0.40 0.91 -0.43 -0.43 2.35 -0.90 0.01 115.58 116.69 3nnk h ASN 388 Ca -0.01 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3nnk h ASN 388 Cb 0.33 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3nnk h ASN 388 CO 0.02 0.53 0.09 0.22 -1.65 0.00 0.00 177.43 176.64 3nnk h TYR 389 N 1.01 0.79 -0.18 1.19 -0.00 -1.12 -2.45 116.97 116.21 3nnk h TYR 389 Ca 0.45 -0.08 0.00 0.00 -0.00 0.00 0.00 58.73 59.10 3nnk h TYR 389 Cb 0.34 -0.23 0.00 0.00 -0.00 0.00 0.00 36.73 36.85 3nnk h TYR 389 CO -0.02 0.68 0.00 1.28 -0.00 0.00 0.00 178.16 180.11 3nnk n LEU 390 N -4.27 2.38 -3.07 2.82 4.32 -0.39 -4.89 117.00 113.91 3nnk n LEU 390 Ca 0.03 -1.20 -0.21 0.00 -0.02 0.00 0.00 56.01 54.61 3nnk n LEU 390 Cb 0.23 -0.53 0.06 0.00 -1.62 0.00 0.00 43.42 41.56 3nnk n LEU 390 CO 0.40 0.36 0.16 0.29 -1.22 0.00 0.00 177.39 177.38 3nnk n LYS 391 N 0.19 -6.27 -3.77 3.23 4.01 -0.92 -4.99 118.16 109.64 3nnk n LYS 391 Ca 0.08 0.75 -0.36 0.00 -0.51 0.00 0.00 58.31 58.28 3nnk n LYS 391 Cb 0.52 -5.46 -0.09 0.00 -0.51 0.00 0.00 35.03 29.48 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 3nnk s PHE 392 N -3.23 3.31 0.05 2.13 5.36 -0.12 -5.01 117.98 120.46 3nnk s PHE 392 Ca 0.45 0.17 -0.30 0.00 -0.96 0.00 0.00 56.93 56.29 3nnk s PHE 392 Cb -0.20 -2.20 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 3nnk s PHE 392 CO 0.55 0.11 1.11 -2.14 -1.46 0.00 0.00 175.22 173.39 3nnk s PRO 393 N 0.77 4.49 0.12 10.12 0.02 -1.26 -3.81 135.00 145.45 3nnk s PRO 393 Ca 0.06 1.63 0.04 0.00 0.02 0.00 0.00 61.00 62.76 3nnk s PRO 393 Cb -0.13 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 3nnk s PRO 393 CO 0.02 -0.15 -0.11 0.95 -0.33 0.00 0.00 177.00 177.38 3nnk s THR 394 N 0.94 1.09 -0.66 0.99 -4.23 -1.26 -4.99 115.64 107.52 3nnk s THR 394 Ca 0.55 -1.84 -0.23 0.00 -1.18 0.00 0.00 61.69 58.99 3nnk s THR 394 Cb -0.26 -1.60 0.06 0.00 1.34 0.00 0.00 72.50 72.04 3nnk s THR 394 CO 0.29 -0.62 1.00 -0.89 -0.54 0.00 0.00 174.62 173.86 3nnk s THR 395 N -2.80 4.25 -0.45 3.99 2.01 -1.26 -4.97 115.64 116.41 3nnk s THR 395 Ca 0.11 -0.23 -0.45 0.00 0.31 0.00 0.00 61.69 61.43 3nnk s THR 395 Cb -0.01 -4.71 -0.19 0.00 0.01 0.00 0.00 72.50 67.61 3nnk s THR 395 CO 0.01 -1.50 1.67 1.67 -0.69 0.00 0.00 174.62 175.78 3nnk n GLN 396 N 7.92 0.27 0.00 4.92 7.27 -1.26 -1.06 117.38 135.44 3nnk n GLN 396 Ca -0.03 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.14 3nnk n GLN 396 Cb 0.46 -1.65 0.00 0.00 2.41 0.00 0.00 30.24 31.46 3nnk n GLN 396 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 397 N 4.26 2.85 0.27 1.69 0.00 -1.26 -4.92 105.19 108.07 3nnk n GLY 397 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 0.82 -0.12 4.61 0.00 -1.42 -1.86 119.26 121.30 3nnk h ALA 398 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3nnk h ALA 398 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3nnk h ALA 398 CO 0.00 0.32 0.04 0.00 0.00 0.00 0.00 179.25 179.61 3nnk h ALA 399 N 1.19 0.16 -0.63 0.00 0.00 -1.77 -2.33 119.26 115.87 3nnk h ALA 399 Ca 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3nnk h ALA 399 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3nnk h ALA 399 CO -0.04 -0.23 0.16 0.52 0.00 0.00 0.00 179.25 179.66 3nnk h MET 400 N 0.02 1.01 -0.37 0.00 2.86 -1.86 -2.90 114.93 113.68 3nnk h MET 400 Ca 0.04 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.51 3nnk h MET 400 Cb 0.21 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 3nnk h MET 400 CO -0.00 0.91 -0.06 0.37 1.06 0.00 0.00 176.91 179.18 3nnk h GLN 401 N 0.93 0.03 -0.95 1.72 5.75 -1.27 -0.12 115.11 121.20 3nnk h GLN 401 Ca 0.20 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 3nnk h GLN 401 Cb 0.35 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 3nnk h GLN 401 CO 0.00 0.02 0.61 0.00 -2.65 0.00 0.00 178.83 176.82 3nnk h ALA 402 N 1.36 1.27 -0.13 3.38 0.00 -1.26 0.41 119.26 124.29 3nnk h ALA 402 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3nnk h ALA 402 Cb 0.27 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3nnk h ALA 402 CO -0.36 0.46 -0.02 0.00 0.00 0.00 0.00 179.25 179.34 3nnk h ALA 403 N 1.40 0.18 -0.79 0.00 0.00 -1.26 -2.01 119.26 116.78 3nnk h ALA 403 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3nnk h ALA 403 Cb 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3nnk h ALA 403 CO -0.14 -0.10 0.51 -1.49 0.00 0.00 0.00 179.25 178.03 3nnk h TRP 404 N -0.05 1.01 -0.69 0.00 6.55 -0.56 -1.72 115.95 120.49 3nnk h TRP 404 Ca 0.03 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 3nnk h TRP 404 Cb 0.41 -0.34 -0.03 0.00 -0.86 0.00 0.00 29.16 28.34 3nnk h TRP 404 CO 0.04 0.65 0.39 -0.44 -1.05 0.00 0.00 178.44 178.03 3nnk h ASP 405 N 1.07 0.84 -0.20 -3.49 3.32 -0.17 -0.81 116.42 116.99 3nnk h ASP 405 Ca 0.29 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 3nnk h ASP 405 Cb -0.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3nnk h ASP 405 CO -0.06 0.67 -0.01 -0.74 -1.72 0.00 0.00 179.24 177.38 3nnk h HIS 406 N 0.96 0.39 -0.54 4.55 2.76 -0.81 -1.45 115.15 121.01 3nnk h HIS 406 Ca 0.25 -0.07 -0.10 0.00 -2.20 0.00 0.00 60.37 58.24 3nnk h HIS 406 Cb 0.00 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3nnk h HIS 406 CO 0.01 0.56 -0.07 1.88 -1.30 0.00 0.00 177.93 179.01 3nnk h TYR 407 N 0.10 1.08 -0.61 5.26 0.05 -1.15 -1.53 116.97 120.17 3nnk h TYR 407 Ca 0.05 -0.20 -0.08 0.00 0.05 0.00 0.00 58.73 58.55 3nnk h TYR 407 Cb 0.41 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 3nnk h TYR 407 CO 0.04 0.99 0.07 0.00 -1.05 0.00 0.00 178.16 178.21 3nnk h ARG 408 N 0.89 1.01 -0.22 4.88 -0.00 -1.16 -3.23 114.38 116.55 3nnk h ARG 408 Ca 0.15 -0.27 -0.07 0.00 -0.50 0.00 0.00 59.98 59.29 3nnk h ARG 408 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.46 3nnk h ARG 408 CO 0.04 0.95 -0.12 0.77 0.00 0.00 0.00 179.97 181.61 3nnk h SER 409 N 0.95 0.48 -0.14 7.04 0.02 -1.07 -3.26 113.55 117.57 3nnk h SER 409 Ca 0.18 -0.42 -0.09 0.00 -0.84 0.00 0.00 61.79 60.63 3nnk h SER 409 Cb 0.45 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 3nnk h SER 409 CO 0.02 0.80 0.11 -0.62 -1.14 0.00 0.00 176.83 176.00 3nnk n GLU 410 N -4.51 1.22 0.00 3.45 4.71 -0.59 -5.10 120.64 119.81 3nnk n GLU 410 Ca -0.05 -0.44 0.00 0.00 -0.01 0.00 0.00 57.16 56.67 3nnk n GLU 410 Cb 0.34 -1.17 0.00 0.00 -1.01 0.00 0.00 31.44 29.60 3nnk n GLU 410 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11