#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kra s PHE 2 N 0.00 3.64 -1.20 3.17 0.40 -1.26 -4.60 117.98 118.13 3kra s PHE 2 Ca 0.00 0.76 -0.07 0.00 -0.60 0.00 0.00 56.93 57.01 3kra s PHE 2 Cb 0.00 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 3kra s PHE 2 CO 0.00 0.62 0.78 -3.47 0.70 0.00 0.00 175.22 173.86 3kra n ASP 3 N 2.14 -3.61 -0.24 1.36 2.03 -1.26 -4.89 116.55 112.09 3kra n ASP 3 Ca -0.16 -0.85 0.01 0.00 0.52 0.00 0.00 54.79 54.31 3kra n ASP 3 Cb 0.53 -4.15 0.13 0.00 -0.72 0.00 0.00 41.12 36.91 3kra n ASP 3 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3kra h PHE 4 N -1.70 0.60 -0.58 -0.67 3.57 -2.00 -0.41 116.94 115.76 3kra h PHE 4 Ca -0.63 0.03 0.05 0.00 3.53 0.00 0.00 57.97 60.95 3kra h PHE 4 Cb 1.35 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 3kra h PHE 4 CO 0.39 0.22 0.31 -0.44 -2.23 0.00 0.00 178.31 176.56 3kra h ASP 5 N 0.57 0.47 -0.40 0.41 3.32 -1.99 -1.06 116.42 117.74 3kra h ASP 5 Ca 0.34 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.34 3kra h ASP 5 Cb 0.35 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3kra h ASP 5 CO -0.26 0.32 0.02 1.23 -1.72 0.00 0.00 179.24 178.82 3kra h GLY 6 N 0.60 0.83 0.88 2.75 0.00 -1.74 0.30 103.07 106.70 3kra h GLY 6 Ca 0.25 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3kra h GLY 6 CO -0.16 0.50 0.02 -1.82 0.00 0.00 0.00 176.54 175.09 3kra h TYR 7 N 0.73 0.08 -0.85 5.60 3.20 -0.37 -0.72 116.97 124.63 3kra h TYR 7 Ca 0.15 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3kra h TYR 7 Cb 0.42 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 3kra h TYR 7 CO 0.02 0.17 0.52 0.52 -1.64 0.00 0.00 178.16 177.75 3kra h MET 8 N -0.04 1.16 -0.24 1.82 2.86 -0.65 -1.88 114.93 117.96 3kra h MET 8 Ca 0.02 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 3kra h MET 8 Cb 0.13 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3kra h MET 8 CO -0.00 0.81 -0.32 1.25 1.06 0.00 0.00 176.91 179.70 3kra h LEU 9 N 1.17 0.50 -0.55 1.22 5.85 -0.80 -1.19 115.31 121.52 3kra h LEU 9 Ca 0.31 -0.19 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 3kra h LEU 9 Cb -0.05 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3kra h LEU 9 CO -0.06 0.80 -0.60 0.03 -0.34 0.00 0.00 178.44 178.27 3kra h ARG 10 N 0.42 0.42 -0.39 1.25 3.08 -0.66 -1.43 114.38 117.08 3kra h ARG 10 Ca 0.05 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 3kra h ARG 10 Cb 0.77 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3kra h ARG 10 CO 0.06 0.89 -0.10 0.87 -1.07 0.00 0.00 179.97 180.62 3kra h LYS 11 N 0.31 0.75 -0.85 0.04 1.79 -1.09 -2.63 116.57 114.89 3kra h LYS 11 Ca -0.00 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.15 3kra h LYS 11 Cb 1.13 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.70 3kra h LYS 11 CO 0.10 0.90 0.44 0.00 -1.08 0.00 0.00 179.45 179.81 3kra h ALA 12 N 0.83 1.18 -0.29 3.86 0.00 -1.07 -1.27 119.26 122.50 3kra h ALA 12 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kra h ALA 12 Cb 0.63 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kra h ALA 12 CO 0.04 0.65 0.10 -0.22 0.00 0.00 0.00 179.25 179.81 3kra h LYS 13 N 1.20 0.45 -0.69 0.00 3.64 -1.18 0.25 116.57 120.23 3kra h LYS 13 Ca 0.30 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3kra h LYS 13 Cb 0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3kra h LYS 13 CO -0.04 0.49 0.44 0.77 -2.27 0.00 0.00 179.45 178.84 3kra h SER 14 N 0.31 0.80 -0.38 4.20 0.02 -1.09 -0.99 113.55 116.43 3kra h SER 14 Ca 0.10 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3kra h SER 14 Cb 0.23 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3kra h SER 14 CO -0.00 0.60 0.02 0.58 -1.14 0.00 0.00 176.83 176.88 3kra h VAL 15 N 0.93 1.25 -1.00 2.27 2.07 -1.07 -0.95 116.25 119.76 3kra h VAL 15 Ca 0.25 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.88 3kra h VAL 15 Cb -0.08 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 3kra h VAL 15 CO -0.05 0.32 0.65 0.78 0.02 0.00 0.00 177.57 179.29 3kra h ASN 16 N 0.49 1.04 -0.68 0.57 2.35 -0.13 0.18 115.58 119.40 3kra h ASN 16 Ca 0.11 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 3kra h ASN 16 Cb 0.43 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 3kra h ASN 16 CO 0.02 0.66 0.11 0.50 -1.65 0.00 0.00 177.43 177.07 3kra h LYS 17 N 1.17 1.12 -0.29 0.81 3.64 -0.79 -1.74 116.57 120.49 3kra h LYS 17 Ca 0.43 -0.30 -0.16 0.00 -1.27 0.00 0.00 60.65 59.35 3kra h LYS 17 Cb 0.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3kra h LYS 17 CO -0.17 1.02 -0.45 0.00 -2.27 0.00 0.00 179.45 177.58 3kra h ALA 18 N 1.05 0.66 -0.15 5.00 0.00 -0.08 -2.47 119.26 123.27 3kra h ALA 18 Ca 0.21 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kra h ALA 18 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kra h ALA 18 CO 0.01 0.67 0.05 -0.07 0.00 0.00 0.00 179.25 179.91 3kra h LEU 19 N 0.60 0.21 -0.87 0.00 3.38 -0.52 -0.92 115.31 117.19 3kra h LEU 19 Ca 0.04 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3kra h LEU 19 Cb 1.01 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 3kra h LEU 19 CO 0.10 0.35 0.52 -0.08 0.09 0.00 0.00 178.44 179.42 3kra h GLU 20 N 0.06 0.84 -0.07 1.13 4.57 -1.30 -1.77 114.58 118.04 3kra h GLU 20 Ca 0.05 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 3kra h GLU 20 Cb 0.21 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3kra h GLU 20 CO -0.00 0.55 -0.66 0.00 -1.18 0.00 0.00 179.01 177.72 3kra h ALA 21 N 1.47 0.73 0.00 2.92 0.00 -1.22 -3.28 119.26 119.88 3kra h ALA 21 Ca 0.42 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3kra h ALA 21 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kra h ALA 21 CO -0.24 0.75 -0.55 0.00 0.00 0.00 0.00 179.25 179.21 3kra h ALA 22 N 1.08 0.70 -3.02 0.00 0.00 -0.54 -3.39 119.26 114.09 3kra h ALA 22 Ca -0.02 -0.50 -0.62 0.00 0.00 0.00 0.00 54.91 53.77 3kra h ALA 22 Cb 1.20 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 3kra h ALA 22 CO 0.11 0.69 -0.71 0.08 0.00 0.00 0.00 179.25 179.42 3kra s VAL 23 N -3.07 1.79 0.30 0.00 1.01 -0.72 -5.09 120.40 114.61 3kra s VAL 23 Ca 0.03 -3.01 -0.05 0.00 0.00 0.00 0.00 61.98 58.95 3kra s VAL 23 Cb 0.09 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3kra s VAL 23 CO 0.74 -0.93 0.58 -1.10 0.00 0.00 0.00 175.10 174.39 3kra s GLN 24 N -0.11 3.64 0.30 2.72 -1.52 -1.26 -4.80 119.66 118.63 3kra s GLN 24 Ca 0.20 0.04 -0.29 0.00 -1.95 0.00 0.00 55.36 53.36 3kra s GLN 24 Cb -0.19 -2.62 -0.10 0.00 -0.22 0.00 0.00 33.01 29.88 3kra s GLN 24 CO -0.05 0.18 1.35 -1.64 -0.25 0.00 0.00 175.29 174.88 3kra s MET 25 N -3.62 4.33 0.18 2.91 -1.94 -1.26 -4.95 119.30 114.95 3kra s MET 25 Ca 0.44 2.23 -0.24 0.00 -1.71 0.00 0.00 55.69 56.42 3kra s MET 25 Cb -0.11 -3.09 0.06 0.00 2.01 0.00 0.00 34.83 33.70 3kra s MET 25 CO 0.30 -0.26 0.93 -1.59 -0.01 0.00 0.00 175.02 174.39 3kra s LYS 26 N -1.25 1.33 0.29 2.03 -2.85 -1.26 -5.10 119.74 112.93 3kra s LYS 26 Ca 0.52 -0.75 -0.29 0.00 -1.00 0.00 0.00 55.97 54.45 3kra s LYS 26 Cb -0.40 0.44 -0.10 0.00 -2.06 0.00 0.00 37.83 35.71 3kra s LYS 26 CO 0.49 -0.61 1.19 -1.21 0.10 0.00 0.00 175.35 175.31 3kra s GLU 27 N -3.27 4.52 -0.03 1.78 0.41 -1.26 -2.69 118.70 118.16 3kra s GLU 27 Ca 0.13 1.98 -0.30 0.00 -0.41 0.00 0.00 54.97 56.37 3kra s GLU 27 Cb -0.02 -3.14 -0.03 0.00 -1.78 0.00 0.00 34.13 29.15 3kra s GLU 27 CO 0.04 0.03 1.15 -2.14 -0.49 0.00 0.00 175.26 173.84 3kra s PRO 28 N -1.50 4.40 0.24 0.39 0.02 -1.26 -5.00 135.00 132.29 3kra s PRO 28 Ca 0.47 1.63 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 3kra s PRO 28 Cb -0.35 -3.50 0.32 0.00 0.02 0.00 0.00 34.50 30.99 3kra s PRO 28 CO 0.46 -0.34 1.87 -0.07 -0.33 0.00 0.00 177.00 178.59 3kra h LEU 29 N 7.70 0.93 -0.79 -5.54 3.38 -1.95 -2.96 115.31 116.07 3kra h LEU 29 Ca -0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3kra h LEU 29 Cb 1.18 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3kra h LEU 29 CO 0.85 0.62 0.44 0.11 0.09 0.00 0.00 178.44 180.54 3kra h LYS 30 N 1.08 1.10 0.04 1.13 1.57 -1.98 0.99 116.57 120.49 3kra h LYS 30 Ca 0.38 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3kra h LYS 30 Cb 0.09 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3kra h LYS 30 CO -0.15 0.81 -0.02 0.82 -0.57 0.00 0.00 179.45 180.34 3kra h ILE 31 N 1.10 0.95 -0.37 1.86 1.08 -1.89 -0.45 117.51 119.80 3kra h ILE 31 Ca 0.28 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.63 3kra h ILE 31 Cb 0.02 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 3kra h ILE 31 CO -0.05 0.00 -0.26 0.45 -0.69 0.00 0.00 178.15 177.61 3kra h HIS 32 N -0.06 0.86 -0.55 1.37 3.86 -1.38 -0.36 115.15 118.89 3kra h HIS 32 Ca -0.00 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3kra h HIS 32 Cb 0.05 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 3kra h HIS 32 CO -0.08 0.93 0.35 1.49 0.86 0.00 0.00 177.93 181.47 3kra h GLU 33 N 0.65 0.74 -0.24 2.45 4.81 -0.67 -1.57 114.58 120.74 3kra h GLU 33 Ca 0.08 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3kra h GLU 33 Cb 0.77 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3kra h GLU 33 CO 0.06 0.51 0.03 1.03 -0.73 0.00 0.00 179.01 179.91 3kra h SER 34 N 0.74 0.40 -0.18 1.04 0.87 -0.76 0.35 113.55 116.01 3kra h SER 34 Ca 0.20 -0.27 0.05 0.00 -1.23 0.00 0.00 61.79 60.54 3kra h SER 34 Cb -0.05 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.74 3kra h SER 34 CO -0.04 0.57 -0.25 0.24 -0.53 0.00 0.00 176.83 176.83 3kra h MET 35 N 0.21 -0.28 -0.27 2.24 2.86 -0.88 -2.57 114.93 116.24 3kra h MET 35 Ca 0.07 0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3kra h MET 35 Cb 0.35 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3kra h MET 35 CO 0.01 -0.18 -0.20 0.00 1.06 0.00 0.00 176.91 177.59 3kra h ARG 36 N -0.29 0.50 -0.86 1.72 3.08 -1.17 -1.38 114.38 115.98 3kra h ARG 36 Ca 0.12 -0.17 0.16 0.00 0.07 0.00 0.00 59.98 60.15 3kra h ARG 36 Cb 0.46 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.38 3kra h ARG 36 CO -0.34 0.68 0.45 -0.92 -1.07 0.00 0.00 179.97 178.76 3kra h TYR 37 N 0.45 0.78 0.06 3.04 5.03 -0.51 -0.58 116.97 125.24 3kra h TYR 37 Ca 0.07 0.03 -0.35 0.00 2.58 0.00 0.00 58.73 61.07 3kra h TYR 37 Cb 0.61 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.63 3kra h TYR 37 CO 0.02 0.17 -2.04 0.43 -1.32 0.00 0.00 178.16 175.41 3kra n SER 38 N -4.88 1.58 -0.07 -2.11 7.64 -1.16 -4.27 113.62 110.35 3kra n SER 38 Ca 0.18 0.18 -0.14 0.00 1.01 0.00 0.00 58.87 60.10 3kra n SER 38 Cb 0.46 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3kra n SER 38 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3kra h LEU 39 N 0.03 0.94 -3.36 -3.43 5.85 -1.10 -3.29 115.31 110.95 3kra h LEU 39 Ca -0.43 -0.49 -0.18 0.00 0.84 0.00 0.00 57.88 57.61 3kra h LEU 39 Cb 2.03 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 42.68 3kra h LEU 39 CO 0.05 1.28 0.23 0.18 -0.34 0.00 0.00 178.44 179.85 3kra n LEU 40 N -4.01 5.45 -0.40 2.25 4.77 -0.24 -4.47 117.00 120.36 3kra n LEU 40 Ca -0.04 -2.83 0.05 0.00 -0.03 0.00 0.00 56.01 53.16 3kra n LEU 40 Cb 0.62 -0.71 0.16 0.00 -2.33 0.00 0.00 43.42 41.15 3kra n LEU 40 CO 0.50 0.73 0.62 0.00 -1.33 0.00 0.00 177.39 177.91 3kra n ALA 41 N -0.07 2.48 0.00 -1.18 0.00 -1.24 -5.03 120.51 115.46 3kra n ALA 41 Ca 0.35 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kra n ALA 41 Cb 1.23 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3kra n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kra n GLY 42 N 0.88 -0.85 0.00 0.00 0.00 -1.26 -5.09 105.19 98.87 3kra n GLY 42 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3kra n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kra n GLY 43 N 0.00 1.94 0.26 -0.02 0.00 -1.26 -4.79 105.19 101.31 3kra n GLY 43 Ca 0.00 -2.12 0.15 0.00 0.00 0.00 0.00 46.02 44.05 3kra n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kra h LYS 44 N 0.00 0.00 -6.26 1.61 1.57 -1.99 -3.47 116.57 108.03 3kra h LYS 44 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 3kra h LYS 44 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3kra h LYS 44 CO 0.00 0.09 -0.81 0.54 -0.57 0.00 0.00 179.45 178.70 3kra n ARG 45 N -3.25 -4.88 -0.28 3.15 5.12 -1.26 -4.73 116.66 110.52 3kra n ARG 45 Ca 0.00 0.57 -0.04 0.00 -1.93 0.00 0.00 57.85 56.45 3kra n ARG 45 Cb 0.33 -5.22 0.11 0.00 -1.16 0.00 0.00 32.46 26.52 3kra n ARG 45 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3kra h VAL 46 N -1.94 1.25 -0.30 1.55 2.07 -1.98 -1.34 116.25 115.56 3kra h VAL 46 Ca -0.60 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 3kra h VAL 46 Cb 1.37 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3kra h VAL 46 CO 0.63 0.30 0.05 0.03 0.02 0.00 0.00 177.57 178.59 3kra h ARG 47 N 1.14 0.49 -0.77 1.57 3.08 -1.95 0.12 114.38 118.07 3kra h ARG 47 Ca 0.28 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3kra h ARG 47 Cb 0.11 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3kra h ARG 47 CO -0.04 0.59 0.47 -1.35 -1.07 0.00 0.00 179.97 178.58 3kra h PRO 48 N 0.31 1.04 -0.36 0.04 0.11 -1.70 -1.79 132.00 129.64 3kra h PRO 48 Ca 0.09 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 66.12 3kra h PRO 48 Cb 0.34 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3kra h PRO 48 CO 0.01 0.72 0.22 1.98 -0.21 0.00 0.00 178.00 180.72 3kra h MET 49 N 1.05 0.44 -0.85 1.05 1.85 -0.84 -0.36 114.93 117.26 3kra h MET 49 Ca 0.28 -0.03 0.10 0.00 -0.61 0.00 0.00 59.70 59.44 3kra h MET 49 Cb -0.05 -0.10 -0.07 0.00 0.43 0.00 0.00 31.60 31.80 3kra h MET 49 CO -0.05 0.29 0.49 -0.07 -0.40 0.00 0.00 176.91 177.17 3kra h LEU 50 N 0.45 0.71 -0.12 3.39 3.38 -0.32 0.27 115.31 123.07 3kra h LEU 50 Ca 0.14 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3kra h LEU 50 Cb -0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kra h LEU 50 CO -0.05 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3kra h ILE 52 N -0.06 1.27 -0.60 0.00 2.04 -0.73 -1.73 117.51 117.71 3kra h ILE 52 Ca 0.03 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 3kra h ILE 52 Cb 0.34 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3kra h ILE 52 CO 0.01 0.36 0.17 0.00 0.00 0.00 0.00 178.15 178.69 3kra h ALA 53 N 0.84 1.17 -0.39 1.87 0.00 -0.44 -0.48 119.26 121.83 3kra h ALA 53 Ca 0.10 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3kra h ALA 53 Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kra h ALA 53 CO 0.03 0.57 -0.18 0.00 0.00 0.00 0.00 179.25 179.68 3kra h ALA 54 N 1.30 0.97 -0.12 0.00 0.00 -0.83 0.29 119.26 120.86 3kra h ALA 54 Ca 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3kra h ALA 54 Cb 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kra h ALA 54 CO -0.01 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.82 3kra h GLU 56 N -0.08 0.36 -0.93 0.00 5.08 -0.90 0.45 114.58 118.57 3kra h GLU 56 Ca 0.03 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3kra h GLU 56 Cb 0.46 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 3kra h GLU 56 CO 0.01 0.49 0.60 1.25 -1.00 0.00 0.00 179.01 180.36 3kra h LEU 57 N 0.34 0.90 -2.63 1.33 5.85 -0.15 -2.09 115.31 118.85 3kra h LEU 57 Ca 0.07 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3kra h LEU 57 Cb 0.42 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3kra h LEU 57 CO 0.02 0.55 0.00 1.33 -0.34 0.00 0.00 178.44 180.01 3kra n VAL 58 N -4.51 1.34 0.00 1.05 0.24 -1.13 -4.72 118.33 110.60 3kra n VAL 58 Ca 0.15 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 3kra n VAL 58 Cb 0.24 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 3kra n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kra n GLY 59 N 1.22 0.90 2.71 7.63 0.00 -0.79 -4.67 105.19 112.20 3kra n GLY 59 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 3kra n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kra n GLY 60 N -1.93 0.66 3.42 -0.02 0.00 0.16 -4.97 105.19 102.50 3kra n GLY 60 Ca 0.00 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 3kra n GLY 60 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kra s ASP 61 N -3.85 3.18 0.24 1.61 3.84 -1.26 -4.01 116.67 116.41 3kra s ASP 61 Ca 0.46 -1.01 -0.05 0.00 -0.00 0.00 0.00 52.55 51.95 3kra s ASP 61 Cb -0.03 -0.23 0.41 0.00 -1.38 0.00 0.00 42.92 41.69 3kra s ASP 61 CO 0.31 -0.04 1.74 -0.08 -0.00 0.00 0.00 175.17 177.10 3kra h GLU 62 N 2.45 0.45 -0.78 2.11 4.81 -1.94 -2.42 114.58 119.26 3kra h GLU 62 Ca -0.40 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 58.89 3kra h GLU 62 Cb 1.24 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 3kra h GLU 62 CO 0.60 0.29 0.43 0.66 -0.73 0.00 0.00 179.01 180.27 3kra h SER 63 N 0.46 0.62 -0.47 1.04 4.64 -1.98 -0.27 113.55 117.58 3kra h SER 63 Ca 0.39 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.72 3kra h SER 63 Cb 0.55 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 3kra h SER 63 CO -0.37 0.36 0.17 0.74 -0.87 0.00 0.00 176.83 176.87 3kra h THR 64 N 0.75 1.20 0.00 2.95 2.02 -1.67 -3.02 112.91 115.14 3kra h THR 64 Ca 0.37 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kra h THR 64 Cb 0.32 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3kra h THR 64 CO -0.23 0.26 -0.44 0.00 0.37 0.00 0.00 175.52 175.48 3kra n ALA 65 N -2.46 3.11 -0.11 6.16 0.00 -0.53 -4.45 120.51 122.23 3kra n ALA 65 Ca 0.04 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 3kra n ALA 65 Cb 0.18 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 3kra n ALA 65 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3kra h MET 66 N 0.00 0.45 -0.90 0.00 4.05 -0.96 0.26 114.93 117.83 3kra h MET 66 Ca 0.00 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3kra h MET 66 Cb 0.58 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.23 3kra h MET 66 CO 0.00 0.30 0.59 -1.35 0.23 0.00 0.00 176.91 176.68 3kra h PRO 67 N 0.47 1.14 -0.38 0.39 0.11 -1.78 0.23 132.00 132.18 3kra h PRO 67 Ca 0.13 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 3kra h PRO 67 Cb -0.05 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.79 3kra h PRO 67 CO -0.03 0.76 -0.14 0.00 -0.21 0.00 0.00 178.00 178.37 3kra h ALA 68 N 1.35 1.04 -0.52 -0.75 0.00 -1.69 0.08 119.26 118.77 3kra h ALA 68 Ca 0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kra h ALA 68 Cb -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kra h ALA 68 CO -0.10 0.58 0.20 0.00 0.00 0.00 0.00 179.25 179.94 3kra h ALA 69 N 1.22 0.68 -0.48 0.00 0.00 0.18 -1.10 119.26 119.77 3kra h ALA 69 Ca 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kra h ALA 69 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3kra h ALA 69 CO 0.04 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.73 3kra h ALA 71 N 1.00 0.30 -0.01 0.00 0.00 -0.52 0.11 119.26 120.15 3kra h ALA 71 Ca 0.15 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3kra h ALA 71 Cb 0.28 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kra h ALA 71 CO -0.00 -0.43 -0.21 -0.39 0.00 0.00 0.00 179.25 178.21 3kra h VAL 72 N 0.04 1.16 -0.10 0.00 -1.51 -1.17 -1.28 116.25 113.38 3kra h VAL 72 Ca 0.19 -0.74 -0.18 0.00 -1.23 0.00 0.00 66.70 64.74 3kra h VAL 72 Cb 0.29 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 3kra h VAL 72 CO -0.38 0.21 -0.69 -0.08 -1.23 0.00 0.00 177.57 175.41 3kra h GLU 73 N 0.02 0.45 -0.43 5.19 4.57 -1.15 -0.30 114.58 122.93 3kra h GLU 73 Ca 0.00 -0.35 0.03 0.00 -1.18 0.00 0.00 59.36 57.86 3kra h GLU 73 Cb 0.38 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 3kra h GLU 73 CO 0.03 0.97 0.22 0.52 -1.18 0.00 0.00 179.01 179.58 3kra h MET 74 N 0.32 0.44 -0.05 1.92 2.86 -0.23 0.28 114.93 120.46 3kra h MET 74 Ca -0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3kra h MET 74 Cb 1.26 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 3kra h MET 74 CO 0.12 0.29 0.01 0.82 1.06 0.00 0.00 176.91 179.22 3kra h ILE 75 N 0.45 1.18 -0.44 -1.22 1.08 -1.12 -0.74 117.51 116.70 3kra h ILE 75 Ca 0.18 -0.53 0.07 0.00 -0.39 0.00 0.00 64.86 64.19 3kra h ILE 75 Cb 0.07 1.44 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 3kra h ILE 75 CO -0.12 0.15 0.09 -0.74 -0.69 0.00 0.00 178.15 176.84 3kra h HIS 76 N -0.12 0.14 -0.04 1.37 2.76 -0.85 0.14 115.15 118.55 3kra h HIS 76 Ca 0.02 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3kra h HIS 76 Cb 0.22 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3kra h HIS 76 CO -0.00 0.01 -0.04 1.15 -1.30 0.00 0.00 177.93 177.75 3kra h THR 77 N 0.22 0.89 0.00 6.26 2.02 -0.28 -2.64 112.91 119.39 3kra h THR 77 Ca 0.21 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.33 3kra h THR 77 Cb 0.26 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3kra h THR 77 CO -0.28 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.30 3kra h MET 78 N -0.05 0.00 -0.29 6.66 -0.00 -0.69 -0.96 114.93 119.60 3kra h MET 78 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.68 3kra h MET 78 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.67 3kra h MET 78 CO -0.07 0.32 -0.06 0.66 -0.00 0.00 0.00 176.91 177.76 3kra h SER 79 N 0.00 0.43 0.16 -0.10 4.64 -0.70 0.25 113.55 118.23 3kra h SER 79 Ca -0.00 -0.09 -0.26 0.00 -0.47 0.00 0.00 61.79 60.97 3kra h SER 79 Cb 0.68 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3kra h SER 79 CO 0.04 0.54 -1.04 -0.07 -0.87 0.00 0.00 176.83 175.44 3kra h LEU 80 N 0.44 0.76 -0.33 5.97 3.38 -1.06 0.35 115.31 124.81 3kra h LEU 80 Ca 0.09 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 3kra h LEU 80 Cb 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kra h LEU 80 CO 0.02 1.42 0.17 0.24 0.09 0.00 0.00 178.44 180.38 3kra h MET 81 N 0.31 0.47 -0.36 1.13 2.86 -0.81 -0.95 114.93 117.59 3kra h MET 81 Ca -0.12 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 3kra h MET 81 Cb 1.69 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 3kra h MET 81 CO 0.19 0.42 -0.24 0.45 1.06 0.00 0.00 176.91 178.79 3kra h HIS 82 N 0.41 0.82 0.00 -0.22 3.86 -0.99 -3.23 115.15 115.80 3kra h HIS 82 Ca 0.12 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 59.07 3kra h HIS 82 Cb 0.09 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3kra h HIS 82 CO -0.02 0.89 -0.30 0.22 0.86 0.00 0.00 177.93 179.58 3kra h ASP 83 N 0.63 0.00 1.18 2.45 3.58 -0.48 -2.90 116.42 120.88 3kra h ASP 83 Ca 0.09 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 3kra h ASP 83 Cb 0.74 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 3kra h ASP 83 CO 0.06 0.30 -0.22 0.44 -2.88 0.00 0.00 179.24 176.93 3kra h ASP 84 N 0.00 0.00 -3.49 2.28 3.32 -1.20 -0.66 116.42 116.67 3kra h ASP 84 Ca -0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3kra h ASP 84 Cb 0.55 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.28 3kra h ASP 84 CO 0.04 0.22 -0.12 0.18 -1.72 0.00 0.00 179.24 177.85 3kra n LEU 85 N -3.29 2.34 -0.31 1.55 4.77 -1.09 -1.04 117.00 119.93 3kra n LEU 85 Ca 0.01 0.65 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 3kra n LEU 85 Cb 0.49 -1.32 0.21 0.00 -2.33 0.00 0.00 43.42 40.47 3kra n LEU 85 CO 0.34 -2.50 1.14 -0.65 -1.33 0.00 0.00 177.39 174.40 3kra h PRO 86 N -0.20 0.74 0.00 3.23 0.11 -1.90 0.24 132.00 134.22 3kra h PRO 86 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kra h PRO 86 Cb 1.35 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kra h PRO 86 CO 0.46 0.49 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 3kra n MET 88 N -1.37 0.00 0.22 0.00 2.81 0.60 -4.95 117.12 114.43 3kra n MET 88 Ca 0.05 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.08 3kra n MET 88 Cb 0.13 0.00 0.37 0.00 -0.71 0.00 0.00 33.22 33.01 3kra n MET 88 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kra h ASP 89 N 0.00 0.00 -5.89 7.83 3.32 -0.93 -3.48 116.42 117.27 3kra h ASP 89 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 3kra h ASP 89 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 3kra h ASP 89 CO 0.00 0.00 -0.90 -3.20 -1.72 0.00 0.00 179.24 173.42 3kra n ASN 90 N -2.95 -5.52 -4.70 6.45 4.05 0.26 -4.97 115.26 107.88 3kra n ASN 90 Ca 0.03 -0.87 -0.35 0.00 0.45 0.00 0.00 54.58 53.84 3kra n ASN 90 Cb 0.43 -4.20 -0.09 0.00 1.23 0.00 0.00 39.78 37.16 3kra n ASN 90 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3kra s ASP 91 N -3.51 5.69 0.18 1.20 -0.00 -0.20 -4.91 116.67 115.12 3kra s ASP 91 Ca 0.43 0.19 0.22 0.00 -0.00 0.00 0.00 52.55 53.39 3kra s ASP 91 Cb -0.11 -1.85 -0.03 0.00 -0.00 0.00 0.00 42.92 40.93 3kra s ASP 91 CO 0.81 0.29 1.00 0.47 -0.00 0.00 0.00 175.17 177.73 3kra n ASP 92 N 2.79 0.81 -4.22 0.27 10.43 -1.26 -4.63 116.55 120.73 3kra n ASP 92 Ca -0.18 0.31 -0.20 0.00 2.57 0.00 0.00 54.79 57.29 3kra n ASP 92 Cb 0.53 0.51 -0.12 0.00 1.84 0.00 0.00 41.12 43.88 3kra n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kra s LEU 93 N -5.34 2.30 -0.12 0.64 1.43 -1.26 -1.04 118.68 115.29 3kra s LEU 93 Ca -0.01 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 3kra s LEU 93 Cb 0.10 -0.64 0.06 0.00 0.03 0.00 0.00 46.19 45.74 3kra s LEU 93 CO 0.80 -0.04 0.18 -0.60 0.23 0.00 0.00 176.35 176.92 3kra s ARG 94 N -1.91 0.08 -1.38 1.70 3.52 -0.36 -4.74 118.95 115.87 3kra s ARG 94 Ca 0.02 0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 56.02 3kra s ARG 94 Cb -0.09 -0.58 0.03 0.00 -1.56 0.00 0.00 34.95 32.75 3kra s ARG 94 CO 0.03 -0.41 0.88 0.54 -0.81 0.00 0.00 175.30 175.53 3kra n ARG 95 N 5.32 -5.68 -0.84 5.12 3.00 -1.26 -2.22 116.66 120.10 3kra n ARG 95 Ca -0.05 0.66 0.00 0.00 -0.01 0.00 0.00 57.85 58.45 3kra n ARG 95 Cb 0.50 -5.44 0.00 0.00 0.00 0.00 0.00 32.46 27.52 3kra n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kra n GLY 96 N -1.62 0.61 3.38 -0.13 0.00 -1.26 -5.01 105.19 101.16 3kra n GLY 96 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 3kra n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kra s LYS 97 N -0.39 1.40 0.54 1.61 1.02 -0.94 -5.11 119.74 117.86 3kra s LYS 97 Ca 0.00 -1.56 -0.21 0.00 0.02 0.00 0.00 55.97 54.22 3kra s LYS 97 Cb 0.00 -1.41 -0.06 0.00 -0.52 0.00 0.00 37.83 35.84 3kra s LYS 97 CO 0.00 0.27 1.15 -2.30 -0.92 0.00 0.00 175.35 173.55 3kra n PRO 98 N -0.12 1.37 -1.27 -1.68 -0.02 -1.26 -1.22 135.00 130.79 3kra n PRO 98 Ca -0.10 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 3kra n PRO 98 Cb 0.59 -2.32 0.15 0.00 -0.02 0.00 0.00 33.50 31.89 3kra n PRO 98 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kra s THR 99 N -1.36 2.32 0.12 3.45 -4.23 -0.20 -4.64 115.64 111.10 3kra s THR 99 Ca 0.71 0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 61.11 3kra s THR 99 Cb -0.45 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 3kra s THR 99 CO 0.50 -0.13 1.71 -1.13 -0.54 0.00 0.00 174.62 175.02 3kra h ASN 100 N -1.67 -0.19 0.65 3.99 -0.73 -1.92 -1.08 115.58 114.64 3kra h ASN 100 Ca -0.52 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 57.70 3kra h ASN 100 Cb 1.31 0.11 -0.00 0.00 0.27 0.00 0.00 38.32 40.01 3kra h ASN 100 CO 0.58 -0.07 -0.02 1.12 -0.37 0.00 0.00 177.43 178.66 3kra h HIS 101 N -0.03 0.00 0.01 0.67 2.07 -1.89 -0.74 115.15 115.24 3kra h HIS 101 Ca 0.08 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.41 3kra h HIS 101 Cb 0.15 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.11 3kra h HIS 101 CO -0.20 0.02 -0.87 0.52 -3.07 0.00 0.00 177.93 174.33 3kra h MET 102 N 0.00 0.10 0.24 5.12 2.86 -1.52 -0.07 114.93 121.66 3kra h MET 102 Ca -0.00 -0.12 -0.33 0.00 -2.06 0.00 0.00 59.70 57.20 3kra h MET 102 Cb 0.35 0.04 0.03 0.00 0.06 0.00 0.00 31.60 32.08 3kra h MET 102 CO 0.00 0.91 -1.47 0.00 1.06 0.00 0.00 176.91 177.41 3kra h ALA 103 N 1.05 -0.12 -0.00 6.32 0.00 -0.85 -3.41 119.26 122.25 3kra h ALA 103 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3kra h ALA 103 Cb 1.52 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3kra h ALA 103 CO 0.12 0.71 -0.13 1.19 0.00 0.00 0.00 179.25 181.15 3kra n PHE 104 N -3.74 0.00 0.00 0.00 3.01 -0.33 -5.11 117.46 111.29 3kra n PHE 104 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 3kra n PHE 104 Cb 1.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.55 3kra n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kra n GLY 105 N 0.74 1.74 0.28 1.37 0.00 -0.04 -4.44 105.19 104.85 3kra n GLY 105 Ca 0.02 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 3kra n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kra h GLU 106 N 0.00 0.75 -0.04 1.61 5.08 -1.92 -2.48 114.58 117.58 3kra h GLU 106 Ca 0.00 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3kra h GLU 106 Cb 0.00 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3kra h GLU 106 CO 0.00 0.76 0.03 1.03 -1.00 0.00 0.00 179.01 179.83 3kra h SER 107 N 0.71 0.05 -0.59 1.42 0.87 -1.94 -0.23 113.55 113.85 3kra h SER 107 Ca 0.14 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 3kra h SER 107 Cb 0.43 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 3kra h SER 107 CO 0.02 0.09 0.08 0.58 -0.53 0.00 0.00 176.83 177.06 3kra h VAL 108 N 0.01 1.26 -0.84 2.23 2.07 -1.77 -2.26 116.25 116.96 3kra h VAL 108 Ca 0.02 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3kra h VAL 108 Cb 0.04 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3kra h VAL 108 CO -0.00 0.38 0.53 0.00 0.02 0.00 0.00 177.57 178.49 3kra h ALA 109 N 1.13 1.07 0.27 1.67 0.00 -1.09 0.54 119.26 122.85 3kra h ALA 109 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kra h ALA 109 Cb 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kra h ALA 109 CO 0.01 0.51 -0.13 0.28 0.00 0.00 0.00 179.25 179.92 3kra h VAL 110 N 1.15 0.76 -0.80 0.00 2.07 -0.89 -1.72 116.25 116.82 3kra h VAL 110 Ca 0.30 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 3kra h VAL 110 Cb -0.08 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3kra h VAL 110 CO -0.06 0.05 0.32 -0.07 0.02 0.00 0.00 177.57 177.83 3kra h LEU 111 N -0.49 1.10 -0.93 2.57 3.38 -1.09 -0.94 115.31 118.92 3kra h LEU 111 Ca -0.04 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3kra h LEU 111 Cb 0.36 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3kra h LEU 111 CO 0.06 0.98 0.14 0.00 0.09 0.00 0.00 178.44 179.71 3kra h ALA 112 N 1.17 1.13 -0.07 1.53 0.00 0.05 0.27 119.26 123.33 3kra h ALA 112 Ca 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kra h ALA 112 Cb 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kra h ALA 112 CO -0.02 0.59 0.03 0.78 0.00 0.00 0.00 179.25 180.62 3kra h GLY 113 N 1.01 0.12 0.73 0.00 0.00 -0.89 -1.20 103.07 102.84 3kra h GLY 113 Ca 0.19 -0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.54 3kra h GLY 113 CO 0.00 0.06 0.59 -0.55 0.00 0.00 0.00 176.54 176.64 3kra h ASP 114 N -0.05 0.87 -0.53 0.19 3.32 -0.87 -1.11 116.42 118.24 3kra h ASP 114 Ca 0.02 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3kra h ASP 114 Cb 0.18 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3kra h ASP 114 CO -0.00 0.52 0.17 0.00 -1.72 0.00 0.00 179.24 178.21 3kra h ALA 115 N 1.53 0.70 -0.86 3.45 0.00 -0.09 -1.30 119.26 122.69 3kra h ALA 115 Ca 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3kra h ALA 115 Cb 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3kra h ALA 115 CO -0.18 0.35 0.41 -0.07 0.00 0.00 0.00 179.25 179.76 3kra h LEU 116 N 0.73 1.12 -0.16 0.00 3.38 -0.41 0.23 115.31 120.20 3kra h LEU 116 Ca 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kra h LEU 116 Cb 0.27 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3kra h LEU 116 CO -0.01 0.95 0.07 0.25 0.09 0.00 0.00 178.44 179.79 3kra h LEU 117 N 1.22 0.22 -0.34 1.67 5.85 -0.98 0.44 115.31 123.39 3kra h LEU 117 Ca 0.29 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 3kra h LEU 117 Cb 0.12 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3kra h LEU 117 CO -0.04 0.31 -0.18 -1.28 -0.34 0.00 0.00 178.44 176.91 3kra h SER 118 N 0.12 0.75 0.25 1.25 0.87 -1.08 -3.05 113.55 112.65 3kra h SER 118 Ca 0.05 -0.41 -0.06 0.00 -1.23 0.00 0.00 61.79 60.15 3kra h SER 118 Cb 0.15 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3kra h SER 118 CO -0.01 0.99 -0.26 0.15 -0.53 0.00 0.00 176.83 177.18 3kra h PHE 119 N 0.50 0.03 -0.83 2.24 3.04 -0.45 -1.87 116.94 119.60 3kra h PHE 119 Ca 0.07 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.09 3kra h PHE 119 Cb 0.72 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 39.16 3kra h PHE 119 CO 0.06 0.29 0.50 0.00 -2.02 0.00 0.00 178.31 177.13 3kra h ALA 120 N 1.72 1.14 -0.17 2.41 0.00 -0.79 0.38 119.26 123.95 3kra h ALA 120 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3kra h ALA 120 Cb 0.47 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kra h ALA 120 CO 0.03 0.21 -0.60 0.74 0.00 0.00 0.00 179.25 179.63 3kra h PHE 121 N 0.90 0.93 -0.31 0.00 0.04 -1.44 -2.57 116.94 114.48 3kra h PHE 121 Ca 0.37 -0.39 0.03 0.00 2.80 0.00 0.00 57.97 60.79 3kra h PHE 121 Cb 0.22 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 3kra h PHE 121 CO -0.04 1.19 0.13 1.49 -0.60 0.00 0.00 178.31 180.47 3kra h GLU 122 N 0.41 0.27 -0.16 1.51 4.81 -0.94 0.07 114.58 120.54 3kra h GLU 122 Ca -0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3kra h GLU 122 Cb 1.23 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3kra h GLU 122 CO 0.13 0.18 0.06 1.25 -0.73 0.00 0.00 179.01 179.89 3kra h HIS 123 N 0.27 0.26 -0.56 0.92 2.76 -0.25 0.19 115.15 118.74 3kra h HIS 123 Ca 0.14 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3kra h HIS 123 Cb 0.09 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 3kra h HIS 123 CO -0.12 0.35 0.34 0.28 -1.30 0.00 0.00 177.93 177.48 3kra h VAL 124 N 0.09 1.17 -0.28 5.26 2.07 -1.38 -0.13 116.25 123.06 3kra h VAL 124 Ca 0.05 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3kra h VAL 124 Cb 0.21 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3kra h VAL 124 CO -0.00 0.17 0.13 0.00 0.02 0.00 0.00 177.57 177.89 3kra h ALA 125 N 1.17 0.36 0.00 1.67 0.00 -0.66 -3.06 119.26 118.74 3kra h ALA 125 Ca 0.20 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 3kra h ALA 125 Cb -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3kra h ALA 125 CO -0.04 -0.07 -1.69 0.00 0.00 0.00 0.00 179.25 177.44 3kra n ALA 126 N -2.24 1.57 0.56 0.00 0.00 0.64 -4.46 120.51 116.58 3kra n ALA 126 Ca -0.02 -0.76 0.11 0.00 0.00 0.00 0.00 53.44 52.77 3kra n ALA 126 Cb 0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 3kra n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kra n ALA 127 N -2.54 3.64 -2.17 0.00 0.00 -0.07 -4.93 120.51 114.45 3kra n ALA 127 Ca -0.16 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 3kra n ALA 127 Cb 1.02 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 3kra n ALA 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kra s THR 128 N -3.21 3.45 0.18 0.00 2.01 -1.15 -4.93 115.64 111.98 3kra s THR 128 Ca 0.02 0.97 0.10 0.00 0.31 0.00 0.00 61.69 63.09 3kra s THR 128 Cb 0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3kra s THR 128 CO 0.84 0.04 -0.21 -0.54 -0.69 0.00 0.00 174.62 174.06 3kra s LYS 129 N 1.73 1.39 0.00 4.92 -0.14 -1.26 -4.78 119.74 121.59 3kra s LYS 129 Ca 0.65 -1.45 0.00 0.00 -1.36 0.00 0.00 55.97 53.81 3kra s LYS 129 Cb -0.35 -1.59 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 3kra s LYS 129 CO 0.29 0.34 0.00 0.41 -0.76 0.00 0.00 175.35 175.63 3kra n GLY 130 N 0.32 0.82 3.28 -3.33 0.00 -1.26 -4.52 105.19 100.50 3kra n GLY 130 Ca -0.13 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 3kra n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kra s ALA 131 N -2.00 -0.96 0.63 4.61 0.00 -1.26 -5.03 121.76 117.75 3kra s ALA 131 Ca 0.00 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.87 3kra s ALA 131 Cb 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3kra s ALA 131 CO 0.00 -0.19 1.17 -2.14 0.00 0.00 0.00 175.76 174.60 3kra s PRO 132 N 0.17 2.81 0.27 0.00 0.02 -1.26 -4.78 135.00 132.23 3kra s PRO 132 Ca -0.00 1.66 -0.00 0.00 0.02 0.00 0.00 61.00 62.67 3kra s PRO 132 Cb -0.03 -1.93 0.52 0.00 0.02 0.00 0.00 34.50 33.08 3kra s PRO 132 CO 0.01 -1.29 1.83 -1.35 -0.33 0.00 0.00 177.00 175.87 3kra h PRO 133 N 0.45 0.94 -0.08 5.54 0.11 -2.00 -0.96 132.00 136.01 3kra h PRO 133 Ca -0.49 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 3kra h PRO 133 Cb 1.28 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3kra h PRO 133 CO 0.54 0.62 -0.11 1.05 -0.21 0.00 0.00 178.00 179.89 3kra h GLU 134 N 0.97 0.12 -0.12 1.05 -0.00 -1.99 -0.16 114.58 114.45 3kra h GLU 134 Ca 0.48 -0.02 -0.15 0.00 -0.00 0.00 0.00 59.36 59.67 3kra h GLU 134 Cb 0.45 -0.02 0.01 0.00 -0.00 0.00 0.00 28.75 29.18 3kra h GLU 134 CO -0.26 0.24 -0.49 -0.09 -0.00 0.00 0.00 179.01 178.41 3kra h ARG 135 N 0.12 0.55 -0.39 1.06 2.43 -1.57 -1.67 114.38 114.91 3kra h ARG 135 Ca 0.03 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 3kra h ARG 135 Cb 0.27 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3kra h ARG 135 CO 0.02 1.05 0.22 0.82 -1.51 0.00 0.00 179.97 180.57 3kra h ILE 136 N 0.18 1.14 -0.62 1.20 2.04 -0.70 -1.63 117.51 119.12 3kra h ILE 136 Ca -0.03 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3kra h ILE 136 Cb 1.13 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 3kra h ILE 136 CO 0.10 0.14 0.24 0.58 0.00 0.00 0.00 178.15 179.22 3kra h VAL 137 N 0.50 1.22 -0.74 1.67 2.07 -1.08 -1.20 116.25 118.69 3kra h VAL 137 Ca 0.14 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3kra h VAL 137 Cb 0.04 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3kra h VAL 137 CO -0.02 0.28 0.27 -0.09 0.02 0.00 0.00 177.57 178.02 3kra h ARG 138 N 0.89 1.12 0.00 1.57 2.43 -0.88 -1.39 114.38 118.12 3kra h ARG 138 Ca 0.21 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 3kra h ARG 138 Cb 0.18 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3kra h ARG 138 CO -0.02 0.93 -0.54 -0.39 -1.51 0.00 0.00 179.97 178.44 3kra h VAL 139 N 1.07 1.38 -0.67 0.20 -1.51 -0.94 -1.74 116.25 114.05 3kra h VAL 139 Ca 0.24 -1.88 -0.05 0.00 -1.23 0.00 0.00 66.70 63.78 3kra h VAL 139 Cb 0.25 2.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.40 3kra h VAL 139 CO -0.01 0.53 0.21 -0.07 -1.23 0.00 0.00 177.57 177.00 3kra h LEU 140 N 0.00 0.96 -0.58 4.19 3.38 -0.59 0.04 115.31 122.70 3kra h LEU 140 Ca -0.01 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 3kra h LEU 140 Cb 0.97 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3kra h LEU 140 CO 0.07 0.89 -0.34 1.23 0.09 0.00 0.00 178.44 180.38 3kra h GLY 141 N 1.07 0.82 1.09 0.83 0.00 -0.99 -1.76 103.07 104.13 3kra h GLY 141 Ca 0.22 -0.79 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 3kra h GLY 141 CO -0.01 0.71 0.14 0.83 0.00 0.00 0.00 176.54 178.22 3kra h GLU 142 N 0.63 1.12 -0.29 4.80 4.39 -0.94 -0.78 114.58 123.51 3kra h GLU 142 Ca 0.06 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 3kra h GLU 142 Cb 0.88 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3kra h GLU 142 CO 0.08 1.00 0.13 1.25 -1.16 0.00 0.00 179.01 180.31 3kra h LEU 143 N 1.06 0.38 -0.51 1.33 5.85 -0.86 -1.70 115.31 120.85 3kra h LEU 143 Ca 0.21 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3kra h LEU 143 Cb 0.41 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3kra h LEU 143 CO 0.01 0.40 0.33 0.00 -0.34 0.00 0.00 178.44 178.84 3kra h ALA 144 N 0.99 0.65 0.00 1.25 0.00 -1.04 -2.38 119.26 118.72 3kra h ALA 144 Ca 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3kra h ALA 144 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kra h ALA 144 CO -0.01 0.07 -0.35 0.28 0.00 0.00 0.00 179.25 179.23 3kra h VAL 145 N 0.67 1.13 0.00 0.00 2.07 -0.96 -2.18 116.25 116.96 3kra h VAL 145 Ca 0.19 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3kra h VAL 145 Cb -0.05 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3kra h VAL 145 CO -0.06 0.34 0.00 0.77 0.02 0.00 0.00 177.57 178.64 3kra h SER 146 N 0.00 0.00 -0.00 0.57 4.64 -0.80 -3.32 113.55 114.63 3kra h SER 146 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kra h SER 146 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3kra h SER 146 CO 0.05 0.00 -0.04 2.30 -0.87 0.00 0.00 176.83 178.26 3kra n ILE 147 N -2.51 0.00 -0.44 0.95 -5.35 -1.04 -1.38 119.36 109.59 3kra n ILE 147 Ca 0.04 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 3kra n ILE 147 Cb 0.37 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 3kra n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kra n GLY 148 N 0.73 1.67 0.12 3.28 0.00 -0.85 -2.27 105.19 107.87 3kra n GLY 148 Ca 0.00 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.37 3kra n GLY 148 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kra n SER 149 N 0.00 0.42 -0.47 1.61 7.64 -1.26 -0.39 113.62 121.17 3kra n SER 149 Ca 0.00 0.69 0.07 0.00 1.01 0.00 0.00 58.87 60.64 3kra n SER 149 Cb 0.00 -0.75 0.18 0.00 -1.01 0.00 0.00 64.21 62.64 3kra n SER 149 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kra n GLU 150 N -2.06 1.59 0.00 1.43 1.02 -1.26 -4.42 120.64 116.94 3kra n GLU 150 Ca -0.01 -2.96 0.00 0.00 -0.02 0.00 0.00 57.16 54.17 3kra n GLU 150 Cb 0.03 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 3kra n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kra n GLY 151 N -1.20 4.31 0.37 0.62 0.00 0.48 -4.85 105.19 104.92 3kra n GLY 151 Ca 0.19 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 3kra n GLY 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kra h LEU 152 N 0.00 -1.35 -1.16 0.99 6.46 -1.02 -1.06 115.31 118.16 3kra h LEU 152 Ca 0.00 0.24 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 3kra h LEU 152 Cb 0.00 0.64 -0.05 0.00 -0.73 0.00 0.00 40.66 40.52 3kra h LEU 152 CO 0.00 -0.32 0.57 0.58 -0.62 0.00 0.00 178.44 178.66 3kra h VAL 153 N -0.18 1.13 -0.74 1.05 2.07 -1.28 -1.29 116.25 117.02 3kra h VAL 153 Ca 0.22 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3kra h VAL 153 Cb 0.56 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3kra h VAL 153 CO -0.71 0.20 0.35 0.00 0.02 0.00 0.00 177.57 177.43 3kra h ALA 154 N 1.49 1.23 -0.48 1.67 0.00 -0.95 0.45 119.26 122.67 3kra h ALA 154 Ca 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3kra h ALA 154 Cb 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kra h ALA 154 CO -0.11 0.59 0.18 0.78 0.00 0.00 0.00 179.25 180.69 3kra h GLY 155 N 1.10 0.79 1.01 0.00 0.00 -0.92 0.45 103.07 105.49 3kra h GLY 155 Ca 0.26 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 3kra h GLY 155 CO -0.03 0.41 0.01 1.46 0.00 0.00 0.00 176.54 178.40 3kra h GLN 156 N 0.64 0.89 -0.06 4.80 1.08 -0.77 -1.58 115.11 120.12 3kra h GLN 156 Ca 0.16 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3kra h GLN 156 Cb 0.22 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3kra h GLN 156 CO -0.01 0.91 -0.03 0.28 -0.95 0.00 0.00 178.83 179.04 3kra h VAL 157 N 0.76 1.33 -0.39 -0.54 2.07 -0.72 -1.56 116.25 117.18 3kra h VAL 157 Ca 0.15 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 3kra h VAL 157 Cb 0.50 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3kra h VAL 157 CO 0.02 0.28 0.24 0.58 0.02 0.00 0.00 177.57 178.71 3kra h VAL 158 N -0.27 1.11 -0.30 2.57 2.07 -0.93 -1.51 116.25 118.99 3kra h VAL 158 Ca 0.01 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3kra h VAL 158 Cb 0.46 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3kra h VAL 158 CO 0.01 0.12 -0.24 -0.78 0.02 0.00 0.00 177.57 176.70 3kra h ASP 159 N 0.54 0.73 1.35 0.57 3.58 -1.14 -2.52 116.42 119.54 3kra h ASP 159 Ca 0.14 -0.45 -0.09 0.00 0.42 0.00 0.00 57.03 57.06 3kra h ASP 159 Cb -0.02 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 3kra h ASP 159 CO -0.03 1.03 -0.42 -0.37 -2.88 0.00 0.00 179.24 176.57 3kra h VAL 160 N 0.45 0.77 -0.03 2.25 -1.51 -0.88 -2.60 116.25 114.71 3kra h VAL 160 Ca 0.06 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.63 3kra h VAL 160 Cb 0.79 2.24 0.00 0.00 -2.13 0.00 0.00 31.29 32.19 3kra h VAL 160 CO 0.06 0.41 0.00 0.00 -1.23 0.00 0.00 177.57 176.81 3kra n SER 162 N -0.16 2.02 0.00 0.00 7.64 -0.95 -4.54 113.62 117.62 3kra n SER 162 Ca 0.20 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3kra n SER 162 Cb 0.27 1.46 0.01 0.00 -1.01 0.00 0.00 64.21 64.94 3kra n SER 162 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kra n GLU 163 N -1.81 0.09 -0.00 1.43 1.02 -1.04 -1.75 120.64 118.58 3kra n GLU 163 Ca -0.01 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.18 3kra n GLU 163 Cb 0.29 -1.06 -0.07 0.00 -0.02 0.00 0.00 31.44 30.57 3kra n GLU 163 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kra n GLY 164 N -0.46 -0.20 0.50 0.62 0.00 -1.26 -4.99 105.19 99.39 3kra n GLY 164 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 3kra n GLY 164 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kra n MET 165 N -1.34 1.80 0.00 1.61 0.00 -0.71 -5.07 117.12 113.40 3kra n MET 165 Ca 0.02 -0.51 0.00 0.00 -0.00 0.00 0.00 57.70 57.21 3kra n MET 165 Cb 0.20 0.13 0.00 0.00 0.00 0.00 0.00 33.22 33.55 3kra n MET 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kra n ALA 166 N -2.78 1.54 0.08 -5.12 0.00 -1.26 -4.70 120.51 108.26 3kra n ALA 166 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kra n ALA 166 Cb 0.09 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3kra n ALA 166 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kra n GLU 167 N -1.29 0.08 -2.32 0.00 4.07 -1.26 -4.74 120.64 115.18 3kra n GLU 167 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3kra n GLU 167 Cb 0.21 -1.33 -0.02 0.00 -0.06 0.00 0.00 31.44 30.24 3kra n GLU 167 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3kra s VAL 168 N 0.32 3.85 0.74 6.31 1.01 -1.26 -5.01 120.40 126.36 3kra s VAL 168 Ca 0.00 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 3kra s VAL 168 Cb 0.00 -4.18 0.15 0.00 0.00 0.00 0.00 36.38 32.35 3kra s VAL 168 CO 0.00 -0.78 1.02 0.61 0.00 0.00 0.00 175.10 175.95 3kra n GLY 169 N 5.14 0.40 0.24 4.51 0.00 -1.26 -4.88 105.19 109.34 3kra n GLY 169 Ca 0.17 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 3kra n GLY 169 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kra h LEU 170 N 0.00 0.49 -0.69 0.99 5.85 -1.97 -1.38 115.31 118.60 3kra h LEU 170 Ca -0.33 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3kra h LEU 170 Cb 1.19 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 3kra h LEU 170 CO 0.34 0.32 0.37 -0.78 -0.34 0.00 0.00 178.44 178.36 3kra h ASP 171 N 0.63 0.54 -0.33 1.25 3.58 -1.99 0.27 116.42 120.36 3kra h ASP 171 Ca 0.28 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.69 3kra h ASP 171 Cb 0.18 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 3kra h ASP 171 CO -0.18 0.34 -0.12 -0.74 -2.88 0.00 0.00 179.24 175.66 3kra h HIS 172 N 0.67 0.76 -0.51 0.28 2.76 -1.78 -0.36 115.15 116.97 3kra h HIS 172 Ca 0.32 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3kra h HIS 172 Cb 0.24 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 3kra h HIS 172 CO -0.08 0.86 0.27 1.25 -1.30 0.00 0.00 177.93 178.92 3kra h LEU 173 N 0.44 0.64 -0.89 0.26 5.85 -0.52 -1.37 115.31 119.73 3kra h LEU 173 Ca 0.08 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3kra h LEU 173 Cb 0.63 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3kra h LEU 173 CO 0.04 0.56 0.28 -0.33 -0.34 0.00 0.00 178.44 178.65 3kra h GLU 174 N 0.68 1.09 -0.39 1.25 5.08 -0.35 -1.87 114.58 120.07 3kra h GLU 174 Ca 0.18 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3kra h GLU 174 Cb 0.06 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 3kra h GLU 174 CO -0.03 0.90 0.16 0.35 -1.00 0.00 0.00 179.01 179.38 3kra h PHE 175 N 1.07 0.28 -0.36 4.33 3.04 -0.52 0.26 116.94 125.04 3kra h PHE 175 Ca 0.24 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.20 3kra h PHE 175 Cb 0.22 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 3kra h PHE 175 CO 0.02 0.12 0.18 0.82 -2.02 0.00 0.00 178.31 177.44 3kra h ILE 176 N 0.33 1.15 -0.29 1.41 2.04 -0.93 -2.21 117.51 119.01 3kra h ILE 176 Ca 0.18 -0.42 -0.15 0.00 1.00 0.00 0.00 64.86 65.46 3kra h ILE 176 Cb 0.13 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3kra h ILE 176 CO -0.16 0.16 -0.44 0.45 0.00 0.00 0.00 178.15 178.16 3kra h HIS 177 N 0.45 0.90 -0.57 1.37 3.86 -0.96 0.48 115.15 120.66 3kra h HIS 177 Ca 0.12 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 3kra h HIS 177 Cb 0.09 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 3kra h HIS 177 CO -0.02 1.05 0.33 1.25 0.86 0.00 0.00 177.93 181.40 3kra h HIS 178 N 0.60 0.77 0.09 2.45 -0.00 -0.46 -1.96 115.15 116.63 3kra h HIS 178 Ca 0.04 -0.01 -0.22 0.00 -0.00 0.00 0.00 60.37 60.18 3kra h HIS 178 Cb 1.00 -0.25 0.02 0.00 -0.00 0.00 0.00 27.41 28.18 3kra h HIS 178 CO 0.05 0.55 -0.90 0.45 -0.00 0.00 0.00 177.93 178.07 3kra h HIS 179 N 0.77 0.74 0.00 5.26 3.86 -1.19 0.71 115.15 125.31 3kra h HIS 179 Ca 0.20 -0.47 -0.10 0.00 -1.16 0.00 0.00 60.37 58.84 3kra h HIS 179 Cb 0.01 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3kra h HIS 179 CO -0.02 1.32 -0.49 -0.22 0.86 0.00 0.00 177.93 179.38 3kra h LYS 180 N -0.04 0.00 0.00 2.45 3.64 -0.97 -2.93 116.57 118.72 3kra h LYS 180 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3kra h LYS 180 Cb 1.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3kra h LYS 180 CO 0.17 0.49 -0.48 2.41 -2.27 0.00 0.00 179.45 179.78 3kra n THR 181 N -3.76 0.41 -0.12 1.00 -1.04 -0.77 -4.87 114.28 105.13 3kra n THR 181 Ca -0.01 0.14 -0.05 0.00 -2.04 0.00 0.00 64.05 62.08 3kra n THR 181 Cb 0.54 -1.34 0.14 0.00 -1.82 0.00 0.00 70.33 67.85 3kra n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kra h ALA 182 N 0.00 1.04 -0.46 2.41 0.00 -1.01 -3.14 119.26 118.10 3kra h ALA 182 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.70 3kra h ALA 182 Cb 0.48 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3kra h ALA 182 CO 0.00 0.59 0.09 0.00 0.00 0.00 0.00 179.25 179.93 3kra h ALA 183 N 1.21 0.50 0.00 0.00 0.00 -1.02 0.24 119.26 120.19 3kra h ALA 183 Ca 0.14 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3kra h ALA 183 Cb 0.50 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kra h ALA 183 CO 0.03 -0.32 -0.25 1.25 0.00 0.00 0.00 179.25 179.96 3kra h LEU 184 N 0.22 0.00 -0.38 0.00 5.85 -1.69 0.32 115.31 119.63 3kra h LEU 184 Ca 0.23 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.76 3kra h LEU 184 Cb 0.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3kra h LEU 184 CO -0.30 0.25 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.25 3kra h LEU 185 N 0.00 0.51 -0.25 2.25 3.38 -1.09 -0.60 115.31 119.51 3kra h LEU 185 Ca -0.00 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 3kra h LEU 185 Cb 0.92 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3kra h LEU 185 CO 0.03 1.08 -0.02 -0.61 0.09 0.00 0.00 178.44 179.01 3kra h GLN 186 N 0.29 0.46 -0.94 1.13 4.15 -0.23 -1.99 115.11 117.98 3kra h GLN 186 Ca -0.03 -0.16 0.09 0.00 0.77 0.00 0.00 58.65 59.31 3kra h GLN 186 Cb 1.32 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.90 3kra h GLN 186 CO 0.13 0.65 0.59 0.78 -1.93 0.00 0.00 178.83 179.05 3kra h GLY 187 N 0.22 1.47 0.92 2.39 0.00 -0.73 0.49 103.07 107.84 3kra h GLY 187 Ca 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3kra h GLY 187 CO 0.02 0.24 -0.12 1.76 0.00 0.00 0.00 176.54 178.44 3kra h SER 188 N 1.02 -0.27 0.06 0.19 0.02 -0.80 0.16 113.55 113.92 3kra h SER 188 Ca 0.43 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.23 3kra h SER 188 Cb 0.29 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3kra h SER 188 CO -0.21 -0.12 -0.31 -0.37 -1.14 0.00 0.00 176.83 174.67 3kra h VAL 189 N -0.41 1.28 -0.31 2.27 -1.51 -1.09 -2.46 116.25 114.02 3kra h VAL 189 Ca -0.03 -1.35 -0.08 0.00 -1.23 0.00 0.00 66.70 64.01 3kra h VAL 189 Cb 0.31 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 3kra h VAL 189 CO 0.05 0.42 -0.12 0.58 -1.23 0.00 0.00 177.57 177.27 3kra h VAL 190 N 0.33 1.29 -0.05 7.19 2.07 -0.71 0.21 116.25 126.58 3kra h VAL 190 Ca 0.04 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.39 3kra h VAL 190 Cb 0.72 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3kra h VAL 190 CO 0.06 0.39 -0.18 -0.07 0.02 0.00 0.00 177.57 177.78 3kra h LEU 191 N 0.39 -0.55 -0.30 2.57 4.07 -0.92 0.77 115.31 121.34 3kra h LEU 191 Ca 0.07 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 3kra h LEU 191 Cb 0.63 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 3kra h LEU 191 CO 0.04 -0.24 0.16 1.23 -1.08 0.00 0.00 178.44 178.55 3kra h GLY 192 N -0.27 0.45 1.13 0.83 0.00 -1.24 -1.60 103.07 102.36 3kra h GLY 192 Ca 0.07 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3kra h GLY 192 CO -0.21 0.20 0.19 0.00 0.00 0.00 0.00 176.54 176.72 3kra h ALA 193 N 1.03 1.03 -0.19 3.60 0.00 -0.28 0.34 119.26 124.79 3kra h ALA 193 Ca 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3kra h ALA 193 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kra h ALA 193 CO -0.02 0.64 0.05 0.82 0.00 0.00 0.00 179.25 180.75 3kra h ILE 194 N 1.04 1.20 0.00 0.00 2.04 -0.73 0.19 117.51 121.24 3kra h ILE 194 Ca 0.22 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3kra h ILE 194 Cb 0.33 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3kra h ILE 194 CO -0.00 0.20 -0.14 -0.07 0.00 0.00 0.00 178.15 178.13 3kra h LEU 195 N 0.11 0.00 0.00 1.44 3.38 -1.04 -1.02 115.31 118.18 3kra h LEU 195 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kra h LEU 195 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kra h LEU 195 CO -0.00 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.28 3kra n GLY 196 N -0.94 -1.07 1.15 0.83 0.00 0.09 -4.86 105.19 100.38 3kra n GLY 196 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3kra n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kra n GLY 197 N 0.91 0.84 3.77 -0.02 0.00 -0.39 -3.57 105.19 106.73 3kra n GLY 197 Ca 0.15 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 3kra n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kra s GLY 198 N -2.58 2.68 0.73 -0.02 0.00 0.03 -5.02 107.32 103.14 3kra s GLY 198 Ca 0.00 0.89 -0.11 0.00 0.00 0.00 0.00 44.72 45.50 3kra s GLY 198 CO 0.00 1.27 1.08 0.54 0.00 0.00 0.00 173.10 175.98 3kra s LYS 199 N -3.24 2.64 0.43 2.90 -0.14 -1.26 -4.83 119.74 116.23 3kra s LYS 199 Ca 0.73 0.77 0.09 0.00 -1.36 0.00 0.00 55.97 56.20 3kra s LYS 199 Cb -0.26 -1.97 0.94 0.00 -1.68 0.00 0.00 37.83 34.86 3kra s LYS 199 CO 0.29 -1.26 2.06 1.49 -0.76 0.00 0.00 175.35 177.17 3kra h GLU 200 N -0.83 0.37 -0.46 1.68 4.57 -1.99 -0.57 114.58 117.36 3kra h GLU 200 Ca -0.45 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 57.59 3kra h GLU 200 Cb 1.24 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 3kra h GLU 200 CO 0.59 0.28 -0.15 1.49 -1.18 0.00 0.00 179.01 180.04 3kra h GLU 201 N 0.38 0.86 -0.17 1.92 4.22 -1.99 0.21 114.58 120.01 3kra h GLU 201 Ca 0.10 -0.32 -0.18 0.00 0.08 0.00 0.00 59.36 59.04 3kra h GLU 201 Cb 0.02 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3kra h GLU 201 CO -0.02 0.95 -0.61 0.93 -2.18 0.00 0.00 179.01 178.08 3kra h GLU 202 N 0.76 0.71 -0.48 1.92 5.08 -1.60 -2.57 114.58 118.39 3kra h GLU 202 Ca 0.12 -0.54 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3kra h GLU 202 Cb 0.67 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 3kra h GLU 202 CO 0.05 1.15 0.27 0.28 -1.00 0.00 0.00 179.01 179.76 3kra h VAL 203 N 0.40 1.01 -0.90 3.13 2.07 -1.07 -1.53 116.25 119.36 3kra h VAL 203 Ca -0.03 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3kra h VAL 203 Cb 1.24 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3kra h VAL 203 CO 0.13 0.10 0.59 0.00 0.02 0.00 0.00 177.57 178.41 3kra h ALA 204 N 1.24 1.17 -0.60 1.67 0.00 -0.88 -0.93 119.26 120.94 3kra h ALA 204 Ca 0.20 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3kra h ALA 204 Cb 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kra h ALA 204 CO -0.12 0.48 0.07 0.87 0.00 0.00 0.00 179.25 180.56 3kra h LYS 205 N 1.17 0.98 -0.22 0.00 1.57 -1.02 -2.65 116.57 116.39 3kra h LYS 205 Ca 0.35 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3kra h LYS 205 Cb -0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3kra h LYS 205 CO -0.10 0.92 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.33 3kra h LEU 206 N 0.92 0.46 -0.69 2.94 3.38 -0.65 0.24 115.31 121.91 3kra h LEU 206 Ca 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3kra h LEU 206 Cb 0.43 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3kra h LEU 206 CO 0.01 0.74 0.33 0.03 0.09 0.00 0.00 178.44 179.64 3kra h ARG 207 N 0.39 0.99 -0.40 1.13 3.08 -0.99 0.24 114.38 118.82 3kra h ARG 207 Ca 0.05 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 3kra h ARG 207 Cb 0.72 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3kra h ARG 207 CO 0.06 0.78 0.08 0.87 -1.07 0.00 0.00 179.97 180.69 3kra h LYS 208 N 0.96 0.65 -0.19 0.04 1.57 -1.11 -0.16 116.57 118.32 3kra h LYS 208 Ca 0.24 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3kra h LYS 208 Cb 0.12 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 3kra h LYS 208 CO -0.03 0.69 -0.15 0.35 -0.57 0.00 0.00 179.45 179.74 3kra h PHE 209 N 0.50 -0.37 -0.55 -1.35 3.57 -0.62 -1.26 116.94 116.86 3kra h PHE 209 Ca 0.12 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3kra h PHE 209 Cb 0.35 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3kra h PHE 209 CO 0.02 -0.22 0.15 0.00 -2.23 0.00 0.00 178.31 176.04 3kra h ALA 210 N 0.97 0.72 -0.91 2.41 0.00 -0.72 -1.69 119.26 120.04 3kra h ALA 210 Ca 0.12 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kra h ALA 210 Cb 0.33 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3kra h ALA 210 CO -0.29 0.41 0.59 -0.91 0.00 0.00 0.00 179.25 179.05 3kra h ASN 211 N 0.77 0.99 -0.27 0.00 2.35 -0.69 -0.99 115.58 117.74 3kra h ASN 211 Ca 0.17 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 3kra h ASN 211 Cb 0.32 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3kra h ASN 211 CO -0.00 0.68 -0.24 0.00 -1.65 0.00 0.00 177.43 176.23 3kra h ILE 213 N 0.37 0.31 -0.06 0.00 3.07 -1.18 0.29 117.51 120.32 3kra h ILE 213 Ca 0.05 -1.16 -0.06 0.00 1.55 0.00 0.00 64.86 65.24 3kra h ILE 213 Cb 0.79 1.91 0.00 0.00 -0.27 0.00 0.00 36.82 39.26 3kra h ILE 213 CO 0.06 0.15 -0.18 1.23 -1.05 0.00 0.00 178.15 178.37 3kra h GLY 214 N 2.96 0.25 1.23 0.16 0.00 -1.13 -0.66 103.07 105.88 3kra h GLY 214 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 3kra h GLY 214 CO 0.02 0.29 -0.23 -2.00 0.00 0.00 0.00 176.54 174.62 3kra h LEU 215 N -0.27 0.90 -1.00 3.11 5.85 -1.19 -3.01 115.31 119.70 3kra h LEU 215 Ca -0.00 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.48 3kra h LEU 215 Cb 0.79 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 3kra h LEU 215 CO 0.04 1.09 0.63 0.25 -0.34 0.00 0.00 178.44 180.11 3kra h LEU 216 N 0.76 0.96 -0.54 2.25 5.85 -0.27 -1.29 115.31 123.03 3kra h LEU 216 Ca 0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3kra h LEU 216 Cb 0.77 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3kra h LEU 216 CO 0.06 0.56 0.35 0.15 -0.34 0.00 0.00 178.44 179.22 3kra h PHE 217 N 1.06 0.69 -0.12 1.25 3.57 -0.97 -0.15 116.94 122.26 3kra h PHE 217 Ca 0.47 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.80 3kra h PHE 217 Cb 0.36 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3kra h PHE 217 CO -0.01 0.45 -0.66 1.96 -2.23 0.00 0.00 178.31 177.82 3kra h GLN 218 N 0.73 0.49 0.19 1.11 1.08 -1.41 -1.91 115.11 115.38 3kra h GLN 218 Ca 0.20 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 3kra h GLN 218 Cb -0.07 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3kra h GLN 218 CO -0.04 0.98 -0.09 0.28 -0.95 0.00 0.00 178.83 179.01 3kra h VAL 219 N 0.35 0.91 -0.78 -0.54 2.07 -1.08 -2.21 116.25 114.96 3kra h VAL 219 Ca -0.02 -0.49 0.09 0.00 0.82 0.00 0.00 66.70 67.10 3kra h VAL 219 Cb 1.22 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 3kra h VAL 219 CO 0.12 0.11 0.51 0.58 0.02 0.00 0.00 177.57 178.91 3kra h VAL 220 N -0.49 0.96 -0.60 2.57 2.07 -1.02 -1.62 116.25 118.11 3kra h VAL 220 Ca -0.03 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3kra h VAL 220 Cb 0.38 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3kra h VAL 220 CO 0.04 0.13 0.06 0.44 0.02 0.00 0.00 177.57 178.27 3kra h ASP 221 N 0.73 0.98 -0.51 0.57 3.45 -1.17 -1.05 116.42 119.42 3kra h ASP 221 Ca 0.36 -0.28 -0.06 0.00 0.43 0.00 0.00 57.03 57.47 3kra h ASP 221 Cb 0.41 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 3kra h ASP 221 CO -0.13 1.02 0.10 0.44 -1.57 0.00 0.00 179.24 179.10 3kra h ASP 222 N 0.92 0.84 0.21 6.45 5.19 -0.73 -0.58 116.42 128.71 3kra h ASP 222 Ca 0.18 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 3kra h ASP 222 Cb 0.48 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.77 3kra h ASP 222 CO 0.02 0.84 -0.10 0.40 -3.12 0.00 0.00 179.24 177.28 3kra h ILE 223 N 0.85 0.86 -0.92 0.35 2.04 -0.88 -2.77 117.51 117.04 3kra h ILE 223 Ca 0.18 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.72 3kra h ILE 223 Cb 0.36 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 3kra h ILE 223 CO 0.01 0.09 0.60 -0.07 0.00 0.00 0.00 178.15 178.77 3kra h LEU 224 N -0.47 0.92 -1.90 1.44 3.38 -1.05 -0.48 115.31 117.15 3kra h LEU 224 Ca -0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3kra h LEU 224 Cb 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kra h LEU 224 CO 0.05 0.58 0.13 0.44 0.09 0.00 0.00 178.44 179.73 3kra h ASP 225 N 1.04 0.12 0.08 -0.43 3.32 -0.88 -2.58 116.42 117.09 3kra h ASP 225 Ca 0.40 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 3kra h ASP 225 Cb 0.22 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3kra h ASP 225 CO -0.16 0.08 -0.04 0.58 -1.72 0.00 0.00 179.24 177.98 3kra h VAL 226 N 0.13 0.00 0.00 -1.35 2.07 -0.87 -3.40 116.25 112.84 3kra h VAL 226 Ca 0.08 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3kra h VAL 226 Cb 0.16 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 3kra h VAL 226 CO -0.01 0.00 0.00 0.41 0.02 0.00 0.00 177.57 177.99 3kra n THR 227 N -4.77 0.00 1.18 2.57 -1.04 -0.49 -5.13 114.28 106.59 3kra n THR 227 Ca -0.01 1.05 0.13 0.00 -2.04 0.00 0.00 64.05 63.18 3kra n THR 227 Cb 0.04 -1.59 0.25 0.00 -1.82 0.00 0.00 70.33 67.22 3kra n THR 227 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3kra n LYS 228 N -1.17 2.09 0.00 -2.82 0.00 -0.98 -5.10 118.16 110.18 3kra n LYS 228 Ca 0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 58.31 56.72 3kra n LYS 228 Cb 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.56 3kra n LYS 228 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3kra n LYS 245 N 0.93 0.00 -4.27 -1.58 5.02 -1.26 -4.76 118.16 112.24 3kra n LYS 245 Ca 0.16 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.10 3kra n LYS 245 Cb 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.43 3kra n LYS 245 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kra s THR 246 N 0.00 4.53 0.11 -0.18 2.01 -1.26 -5.05 115.64 115.80 3kra s THR 246 Ca 0.00 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 3kra s THR 246 Cb 0.00 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 3kra s THR 246 CO 0.00 0.60 0.04 0.42 -0.69 0.00 0.00 174.62 174.99 3kra s THR 247 N -0.81 0.13 0.20 -0.82 -4.23 -1.26 -5.03 115.64 103.82 3kra s THR 247 Ca 0.13 -1.89 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 3kra s THR 247 Cb -0.12 -1.94 0.13 0.00 1.34 0.00 0.00 72.50 71.91 3kra s THR 247 CO 0.02 -0.57 1.86 1.88 -0.54 0.00 0.00 174.62 177.27 3kra h TYR 248 N 2.92 0.83 -0.55 3.99 0.05 -1.92 -2.43 116.97 119.86 3kra h TYR 248 Ca -0.35 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.44 3kra h TYR 248 Cb 1.19 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.62 3kra h TYR 248 CO 0.45 0.51 0.31 -1.35 -1.05 0.00 0.00 178.16 177.03 3kra h PRO 249 N 0.89 0.74 0.00 4.88 0.11 -1.90 0.23 132.00 136.96 3kra h PRO 249 Ca 0.26 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3kra h PRO 249 Cb -0.07 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 3kra h PRO 249 CO -0.07 0.54 -0.18 0.87 -0.21 0.00 0.00 178.00 178.95 3kra h LYS 250 N 0.75 0.00 0.07 1.05 1.57 -1.84 0.17 116.57 118.34 3kra h LYS 250 Ca 0.20 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.61 3kra h LYS 250 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3kra h LYS 250 CO -0.03 0.18 -2.13 1.28 -0.57 0.00 0.00 179.45 178.17 3kra n LEU 251 N -3.40 2.49 0.00 2.94 4.77 -0.33 -4.71 117.00 118.76 3kra n LEU 251 Ca -0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3kra n LEU 251 Cb 0.37 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 3kra n LEU 251 CO 0.32 0.83 0.15 2.30 -1.33 0.00 0.00 177.39 179.66 3kra n ILE 252 N -3.35 0.09 0.00 -0.08 -5.35 0.68 -5.06 119.36 106.28 3kra n ILE 252 Ca -0.35 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 3kra n ILE 252 Cb 1.04 1.44 0.00 0.00 -1.74 0.00 0.00 39.64 40.37 3kra n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kra n GLY 253 N -0.04 -1.21 0.35 3.28 0.00 0.58 -4.05 105.19 104.10 3kra n GLY 253 Ca 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 46.02 44.49 3kra n GLY 253 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kra h VAL 254 N 0.00 1.20 0.11 1.61 2.07 -1.88 -0.31 116.25 119.05 3kra h VAL 254 Ca 0.00 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3kra h VAL 254 Cb 0.00 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 3kra h VAL 254 CO 0.00 0.22 -0.13 -0.33 0.02 0.00 0.00 177.57 177.35 3kra h GLU 255 N 1.20 -0.26 0.00 1.57 5.08 -1.97 -0.21 114.58 119.99 3kra h GLU 255 Ca 0.35 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.63 3kra h GLU 255 Cb -0.07 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3kra h GLU 255 CO -0.09 -0.17 -0.46 0.87 -1.00 0.00 0.00 179.01 178.15 3kra h LYS 256 N -0.27 0.00 -0.66 2.33 1.79 -1.67 -1.21 116.57 116.88 3kra h LYS 256 Ca 0.01 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 3kra h LYS 256 Cb 0.27 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 3kra h LYS 256 CO -0.05 0.46 0.12 0.77 -1.08 0.00 0.00 179.45 179.67 3kra h SER 257 N 0.00 1.02 -0.45 0.86 0.02 -0.41 -0.51 113.55 114.08 3kra h SER 257 Ca -0.00 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 3kra h SER 257 Cb 0.94 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3kra h SER 257 CO 0.06 1.01 -0.18 0.11 -1.14 0.00 0.00 176.83 176.69 3kra h LYS 258 N 1.01 0.92 -0.58 3.45 1.57 -0.63 0.45 116.57 122.76 3kra h LYS 258 Ca 0.20 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3kra h LYS 258 Cb 0.41 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3kra h LYS 258 CO 0.01 1.04 0.35 1.49 -0.57 0.00 0.00 179.45 181.78 3kra h GLU 259 N 0.76 0.78 -0.13 3.15 4.81 -1.00 -0.40 114.58 122.54 3kra h GLU 259 Ca 0.11 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3kra h GLU 259 Cb 0.75 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3kra h GLU 259 CO 0.06 0.55 0.06 0.35 -0.73 0.00 0.00 179.01 179.30 3kra h PHE 260 N 0.78 0.11 -0.59 0.92 3.57 -0.80 -0.85 116.94 120.08 3kra h PHE 260 Ca 0.21 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.79 3kra h PHE 260 Cb -0.03 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 3kra h PHE 260 CO -0.02 0.07 0.27 0.00 -2.23 0.00 0.00 178.31 176.39 3kra h ALA 261 N 1.07 0.77 -0.74 2.41 0.00 -0.62 0.55 119.26 122.70 3kra h ALA 261 Ca 0.05 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kra h ALA 261 Cb 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3kra h ALA 261 CO -0.04 -0.12 0.48 -0.44 0.00 0.00 0.00 179.25 179.13 3kra h ASP 262 N 0.49 0.82 -0.27 0.00 3.32 -0.65 -0.53 116.42 119.60 3kra h ASP 262 Ca 0.28 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 3kra h ASP 262 Cb 0.28 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3kra h ASP 262 CO -0.24 0.58 -0.40 0.03 -1.72 0.00 0.00 179.24 177.50 3kra h ARG 263 N 0.97 0.82 -0.43 3.56 3.08 -0.25 -1.30 114.38 120.82 3kra h ARG 263 Ca 0.28 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3kra h ARG 263 Cb -0.07 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3kra h ARG 263 CO -0.08 1.07 0.23 -0.07 -1.07 0.00 0.00 179.97 180.05 3kra h LEU 264 N 0.67 0.55 -0.40 3.04 3.38 -0.49 0.57 115.31 122.63 3kra h LEU 264 Ca 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kra h LEU 264 Cb 0.96 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3kra h LEU 264 CO 0.09 0.49 0.17 -1.13 0.09 0.00 0.00 178.44 178.15 3kra h ASN 265 N 0.56 0.55 -0.68 -0.43 -1.24 -0.99 0.26 115.58 113.61 3kra h ASN 265 Ca 0.15 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 3kra h ASN 265 Cb 0.07 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 3kra h ASN 265 CO -0.02 0.55 0.42 -0.09 -1.29 0.00 0.00 177.43 177.00 3kra h ARG 266 N 0.51 0.92 -0.56 6.67 2.43 -1.07 -1.79 114.38 121.49 3kra h ARG 266 Ca 0.13 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 3kra h ARG 266 Cb 0.17 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3kra h ARG 266 CO -0.01 0.65 -0.07 1.49 -1.51 0.00 0.00 179.97 180.52 3kra h GLU 267 N 0.93 1.04 0.02 0.20 4.57 -0.64 -1.04 114.58 119.66 3kra h GLU 267 Ca 0.25 -0.37 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3kra h GLU 267 Cb -0.04 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 3kra h GLU 267 CO -0.05 1.06 -0.08 0.00 -1.18 0.00 0.00 179.01 178.75 3kra h ALA 268 N 0.94 -0.11 -0.59 2.92 0.00 -0.69 -2.80 119.26 118.94 3kra h ALA 268 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kra h ALA 268 Cb 0.63 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3kra h ALA 268 CO 0.04 -0.58 0.32 1.96 0.00 0.00 0.00 179.25 180.99 3kra h GLN 269 N -0.16 0.81 -0.31 0.00 4.20 -1.22 -1.79 115.11 116.65 3kra h GLN 269 Ca 0.03 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.67 3kra h GLN 269 Cb 0.19 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3kra h GLN 269 CO -0.07 0.60 0.21 1.49 -0.67 0.00 0.00 178.83 180.39 3kra h GLU 270 N 0.82 0.36 0.00 1.46 4.57 -0.98 -1.71 114.58 119.09 3kra h GLU 270 Ca 0.21 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3kra h GLU 270 Cb 0.03 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3kra h GLU 270 CO -0.03 0.24 -0.07 1.96 -1.18 0.00 0.00 179.01 179.92 3kra h GLN 271 N 0.37 0.00 -0.11 1.92 1.08 -1.07 -3.08 115.11 114.22 3kra h GLN 271 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3kra h GLN 271 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3kra h GLN 271 CO -0.03 0.07 0.00 1.28 -0.95 0.00 0.00 178.83 179.20 3kra n LEU 272 N -3.33 2.84 -0.35 1.46 4.77 -0.65 -4.62 117.00 117.13 3kra n LEU 272 Ca -0.01 -1.03 0.14 0.00 -0.03 0.00 0.00 56.01 55.08 3kra n LEU 272 Cb 0.24 -0.06 0.34 0.00 -2.33 0.00 0.00 43.42 41.62 3kra n LEU 272 CO 0.27 0.51 1.19 -0.07 -1.33 0.00 0.00 177.39 177.97 3kra h LEU 273 N 4.23 0.75 -1.76 2.23 3.38 -1.57 -2.72 115.31 119.85 3kra h LEU 273 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kra h LEU 273 Cb 0.91 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3kra h LEU 273 CO 0.00 0.24 0.00 1.41 0.09 0.00 0.00 178.44 180.18 3kra n HIS 274 N -4.78 0.62 -2.55 1.13 8.25 -1.26 -4.93 115.22 111.70 3kra n HIS 274 Ca 0.24 -0.31 -0.23 0.00 -0.26 0.00 0.00 57.72 57.16 3kra n HIS 274 Cb 0.62 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.80 3kra n HIS 274 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kra s PHE 275 N -1.38 2.29 0.13 4.41 0.40 -1.03 -5.00 117.98 117.80 3kra s PHE 275 Ca 0.33 -0.07 -0.31 0.00 -0.60 0.00 0.00 56.93 56.28 3kra s PHE 275 Cb 0.17 -2.93 -0.10 0.00 0.51 0.00 0.00 43.02 40.67 3kra s PHE 275 CO 0.23 -1.33 1.73 -1.01 0.70 0.00 0.00 175.22 175.54 3kra s HIS 276 N -3.01 2.46 0.38 0.36 3.76 -1.26 -4.85 115.29 113.12 3kra s HIS 276 Ca 0.62 0.21 0.08 0.00 -0.15 0.00 0.00 55.06 55.82 3kra s HIS 276 Cb -0.08 -4.08 0.83 0.00 1.11 0.00 0.00 32.58 30.35 3kra s HIS 276 CO 0.42 -4.33 1.95 -1.35 -0.85 0.00 0.00 174.74 170.58 3kra h PRO 277 N 8.01 0.64 -0.11 8.40 0.11 -1.92 0.33 132.00 147.45 3kra h PRO 277 Ca -0.44 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 3kra h PRO 277 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3kra h PRO 277 CO 0.94 0.42 -0.58 1.25 -0.21 0.00 0.00 178.00 179.82 3kra h HIS 278 N 0.66 0.44 -0.08 0.65 2.76 -2.00 -0.23 115.15 117.34 3kra h HIS 278 Ca 0.33 -0.16 -0.24 0.00 -2.20 0.00 0.00 60.37 58.10 3kra h HIS 278 Cb 0.41 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 29.30 3kra h HIS 278 CO -0.00 0.84 -0.88 0.00 -1.30 0.00 0.00 177.93 176.59 3kra h ARG 279 N 0.26 0.70 0.00 5.26 3.08 -1.63 -3.18 114.38 118.87 3kra h ARG 279 Ca -0.00 -0.65 -0.08 0.00 0.07 0.00 0.00 59.98 59.32 3kra h ARG 279 Cb 1.09 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3kra h ARG 279 CO 0.10 1.25 -0.38 0.00 -1.07 0.00 0.00 179.97 179.87 3kra h ALA 280 N 0.55 1.04 -0.73 0.04 0.00 -0.30 -3.37 119.26 116.48 3kra h ALA 280 Ca -0.08 -0.34 0.16 0.00 0.00 0.00 0.00 54.91 54.65 3kra h ALA 280 Cb 1.52 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.12 3kra h ALA 280 CO 0.17 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.92 3kra h ALA 281 N 1.62 0.78 -0.30 0.00 0.00 -1.01 -0.94 119.26 119.42 3kra h ALA 281 Ca -0.00 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3kra h ALA 281 Cb 0.86 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3kra h ALA 281 CO 0.05 -0.41 -0.05 -1.35 0.00 0.00 0.00 179.25 177.49 3kra h PRO 282 N 0.12 0.47 -0.11 0.00 0.11 -1.78 0.69 132.00 131.50 3kra h PRO 282 Ca 0.40 -0.11 -0.21 0.00 0.11 0.00 0.00 66.00 66.19 3kra h PRO 282 Cb 0.70 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3kra h PRO 282 CO -0.63 0.53 -0.78 -0.07 -0.21 0.00 0.00 178.00 176.85 3kra h LEU 283 N 0.45 0.74 -0.57 2.35 3.38 -1.48 0.62 115.31 120.80 3kra h LEU 283 Ca 0.09 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 3kra h LEU 283 Cb 0.37 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3kra h LEU 283 CO 0.02 1.27 0.25 0.40 0.09 0.00 0.00 178.44 180.46 3kra h ILE 284 N 0.42 1.22 -0.24 1.22 2.04 -0.93 -1.76 117.51 119.48 3kra h ILE 284 Ca -0.05 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 3kra h ILE 284 Cb 1.39 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3kra h ILE 284 CO 0.15 0.25 -0.27 0.00 0.00 0.00 0.00 178.15 178.29 3kra h ALA 285 N 1.09 1.10 -0.56 1.87 0.00 -0.68 -1.72 119.26 120.36 3kra h ALA 285 Ca 0.19 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3kra h ALA 285 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kra h ALA 285 CO -0.02 0.56 0.17 1.25 0.00 0.00 0.00 179.25 181.20 3kra h LEU 286 N 0.40 0.82 -0.35 0.00 5.85 -0.59 -0.58 115.31 120.87 3kra h LEU 286 Ca 0.06 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3kra h LEU 286 Cb 0.68 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3kra h LEU 286 CO 0.05 0.82 0.18 0.00 -0.34 0.00 0.00 178.44 179.15 3kra h ALA 287 N 1.03 0.44 -0.69 1.25 0.00 -0.96 -0.68 119.26 119.66 3kra h ALA 287 Ca 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kra h ALA 287 Cb 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3kra h ALA 287 CO -0.00 -0.02 0.29 -0.91 0.00 0.00 0.00 179.25 178.61 3kra h ASN 288 N 0.43 0.94 -0.60 0.00 2.35 -1.20 -0.41 115.58 117.09 3kra h ASN 288 Ca 0.12 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3kra h ASN 288 Cb 0.08 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 3kra h ASN 288 CO -0.02 0.84 0.34 0.22 -1.65 0.00 0.00 177.43 177.16 3kra h TYR 289 N 0.97 0.82 -0.67 1.19 5.03 -0.67 0.16 116.97 123.81 3kra h TYR 289 Ca 0.23 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.46 3kra h TYR 289 Cb 0.18 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 3kra h TYR 289 CO 0.01 0.59 0.18 0.82 -1.32 0.00 0.00 178.16 178.44 3kra h ILE 290 N 0.82 1.26 -0.33 1.81 2.04 -0.81 -0.98 117.51 121.32 3kra h ILE 290 Ca 0.21 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 3kra h ILE 290 Cb 0.03 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3kra h ILE 290 CO -0.04 0.36 -0.16 0.00 0.00 0.00 0.00 178.15 178.31 3kra h ALA 291 N 1.08 0.46 -0.50 1.87 0.00 -0.59 -3.35 119.26 118.23 3kra h ALA 291 Ca 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kra h ALA 291 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kra h ALA 291 CO -0.00 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.29 3kra n TYR 292 N -4.35 1.12 -1.46 0.00 0.53 0.52 -5.00 117.16 108.53 3kra n TYR 292 Ca -0.03 -0.63 -0.33 0.00 -1.02 0.00 0.00 57.90 55.89 3kra n TYR 292 Cb 0.39 -0.20 0.08 0.00 -1.03 0.00 0.00 39.34 38.59 3kra n TYR 292 CO 0.00 0.00 0.00 -0.98 -1.02 0.00 0.00 176.86 174.86 3kra s ARG 293 N -1.81 2.27 0.13 -0.72 1.70 -0.39 -4.93 118.95 115.20 3kra s ARG 293 Ca 0.43 1.55 0.23 0.00 -0.47 0.00 0.00 55.73 57.47 3kra s ARG 293 Cb 0.28 -1.87 0.11 0.00 -0.57 0.00 0.00 34.95 32.90 3kra s ARG 293 CO 0.20 -1.69 1.10 -0.25 -1.08 0.00 0.00 175.30 173.58 3kra n ASP 294 N -2.84 0.70 0.00 -2.89 8.00 -1.26 -5.06 116.55 113.20 3kra n ASP 294 Ca 0.12 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3kra n ASP 294 Cb 0.51 0.52 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 3kra n ASP 294 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35