#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 3.29 -0.99 1.12 5.36 -1.26 -5.02 117.98 120.48 3kra s PHE 2 Ca 0.00 0.51 -0.17 0.00 -0.96 0.00 0.00 56.93 56.31 3kra s PHE 2 Cb 0.00 -2.58 0.14 0.00 -0.34 0.00 0.00 43.02 40.24 3kra s PHE 2 CO 0.00 -0.16 1.18 0.34 -1.46 0.00 0.00 175.22 175.12 3kra s ASP 3 N 1.42 6.73 0.21 6.13 3.68 -1.26 -4.89 116.67 128.69 3kra s ASP 3 Ca 0.17 -2.28 -0.10 0.00 2.13 0.00 0.00 52.55 52.47 3kra s ASP 3 Cb -0.15 -2.39 0.16 0.00 -1.45 0.00 0.00 42.92 39.09 3kra s ASP 3 CO 0.09 -0.98 1.88 0.15 0.13 0.00 0.00 175.17 176.44 3kra h PHE 4 N 8.43 0.93 -0.57 -5.34 3.57 -1.97 -0.53 116.94 121.47 3kra h PHE 4 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3kra h PHE 4 Cb 0.99 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3kra h PHE 4 CO 1.15 0.58 0.09 -0.44 -2.23 0.00 0.00 178.31 177.45 3kra h ASP 5 N 1.00 0.87 -0.32 0.41 3.32 -2.00 -1.16 116.42 118.54 3kra h ASP 5 Ca 0.28 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 3kra h ASP 5 Cb -0.10 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 3kra h ASP 5 CO -0.07 0.88 -0.39 1.23 -1.72 0.00 0.00 179.24 179.17 3kra h GLY 6 N 1.01 0.91 0.64 2.75 0.00 -1.90 -2.70 103.07 103.78 3kra h GLY 6 Ca 0.18 -0.97 0.03 0.00 0.00 0.00 0.00 47.33 46.56 3kra h GLY 6 CO 0.01 0.88 -0.10 -1.82 0.00 0.00 0.00 176.54 175.50 3kra h TYR 7 N 0.62 -0.25 -0.82 5.60 3.20 -0.75 -2.47 116.97 122.08 3kra h TYR 7 Ca 0.04 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kra h TYR 7 Cb 0.98 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.33 3kra h TYR 7 CO 0.07 -0.16 0.53 0.52 -1.64 0.00 0.00 178.16 177.49 3kra h MET 8 N -0.14 1.02 -0.49 1.82 2.86 -1.23 -0.89 114.93 117.89 3kra h MET 8 Ca 0.07 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3kra h MET 8 Cb 0.23 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3kra h MET 8 CO -0.16 0.67 -0.03 1.25 1.06 0.00 0.00 176.91 179.71 3kra h LEU 9 N 1.05 0.87 -0.45 1.22 5.85 -1.39 -0.75 115.31 121.70 3kra h LEU 9 Ca 0.32 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3kra h LEU 9 Cb -0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3kra h LEU 9 CO -0.10 0.98 0.09 -0.09 -0.34 0.00 0.00 178.44 178.98 3kra h ARG 10 N 0.74 0.74 -0.27 1.25 2.43 -1.13 -0.50 114.38 117.65 3kra h ARG 10 Ca 0.14 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3kra h ARG 10 Cb 0.55 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3kra h ARG 10 CO 0.03 0.75 0.01 0.87 -1.51 0.00 0.00 179.97 180.13 3kra h LYS 11 N 0.61 0.46 -0.81 0.20 1.79 -1.03 -2.45 116.57 115.35 3kra h LYS 11 Ca 0.14 -0.14 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 3kra h LYS 11 Cb 0.36 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.91 3kra h LYS 11 CO 0.01 0.61 0.53 0.00 -1.08 0.00 0.00 179.45 179.51 3kra h ALA 12 N 0.83 1.79 -0.28 3.86 0.00 -0.98 -0.36 119.26 124.14 3kra h ALA 12 Ca 0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3kra h ALA 12 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kra h ALA 12 CO 0.01 0.03 -0.19 -0.22 0.00 0.00 0.00 179.25 178.88 3kra h LYS 13 N 0.71 0.62 -0.58 0.00 3.64 -0.89 -0.25 116.57 119.81 3kra h LYS 13 Ca 0.38 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3kra h LYS 13 Cb 0.51 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3kra h LYS 13 CO -0.15 0.88 0.18 0.77 -2.27 0.00 0.00 179.45 178.86 3kra h SER 14 N 0.35 0.84 -0.20 4.20 0.02 -0.92 -2.24 113.55 115.60 3kra h SER 14 Ca 0.05 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3kra h SER 14 Cb 0.73 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3kra h SER 14 CO 0.05 0.83 0.05 0.58 -1.14 0.00 0.00 176.83 177.20 3kra h VAL 15 N 0.81 1.20 -0.97 2.27 2.07 -1.00 -1.82 116.25 118.82 3kra h VAL 15 Ca 0.19 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 67.15 3kra h VAL 15 Cb 0.29 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3kra h VAL 15 CO -0.01 0.20 0.63 0.78 0.02 0.00 0.00 177.57 179.19 3kra h ASN 16 N 0.14 0.96 -0.24 0.57 2.35 -0.96 0.17 115.58 118.58 3kra h ASN 16 Ca 0.06 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3kra h ASN 16 Cb 0.26 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3kra h ASN 16 CO -0.00 0.59 0.01 0.50 -1.65 0.00 0.00 177.43 176.88 3kra h LYS 17 N 1.08 0.41 -0.47 0.81 3.64 -1.15 -1.16 116.57 119.73 3kra h LYS 17 Ca 0.43 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3kra h LYS 17 Cb 0.27 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3kra h LYS 17 CO -0.18 0.58 -0.06 0.00 -2.27 0.00 0.00 179.45 177.51 3kra h ALA 18 N 0.81 1.01 -0.17 5.00 0.00 -0.69 -1.79 119.26 123.43 3kra h ALA 18 Ca 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3kra h ALA 18 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kra h ALA 18 CO 0.01 0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 179.78 3kra h LEU 19 N 0.75 0.30 -0.84 0.00 3.38 -0.53 -0.39 115.31 117.98 3kra h LEU 19 Ca 0.13 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3kra h LEU 19 Cb 0.54 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3kra h LEU 19 CO 0.03 0.56 0.53 -0.08 0.09 0.00 0.00 178.44 179.57 3kra h GLU 20 N 0.05 0.96 -0.42 1.13 4.22 -1.12 -2.34 114.58 117.06 3kra h GLU 20 Ca 0.05 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.34 3kra h GLU 20 Cb 0.41 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3kra h GLU 20 CO 0.01 0.63 -0.10 0.00 -2.18 0.00 0.00 179.01 177.37 3kra h ALA 21 N 1.38 1.04 0.00 2.92 0.00 -1.05 -3.25 119.26 120.31 3kra h ALA 21 Ca 0.36 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3kra h ALA 21 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kra h ALA 21 CO -0.15 0.58 -0.63 0.00 0.00 0.00 0.00 179.25 179.05 3kra h ALA 22 N 1.21 0.79 -3.40 0.00 0.00 -0.56 -3.39 119.26 113.92 3kra h ALA 22 Ca 0.12 -0.57 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 3kra h ALA 22 Cb 0.56 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 17.85 3kra h ALA 22 CO 0.04 0.79 -0.65 0.08 0.00 0.00 0.00 179.25 179.50 3kra s VAL 23 N -3.31 2.48 0.40 0.00 1.01 -0.95 -5.09 120.40 114.94 3kra s VAL 23 Ca 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 61.98 58.84 3kra s VAL 23 Cb 0.11 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 3kra s VAL 23 CO 0.75 -0.78 0.60 -1.10 0.00 0.00 0.00 175.10 174.58 3kra s GLN 24 N -0.10 3.23 0.18 2.72 -1.52 -1.26 -4.84 119.66 118.07 3kra s GLN 24 Ca 0.16 -0.49 -0.30 0.00 -1.95 0.00 0.00 55.36 52.78 3kra s GLN 24 Cb -0.25 -2.63 -0.08 0.00 -0.22 0.00 0.00 33.01 29.83 3kra s GLN 24 CO -0.01 -0.08 1.20 -1.64 -0.25 0.00 0.00 175.29 174.51 3kra s MET 25 N -4.42 4.49 0.22 2.91 -1.94 -1.26 -4.94 119.30 114.36 3kra s MET 25 Ca 0.45 1.88 -0.22 0.00 -1.71 0.00 0.00 55.69 56.08 3kra s MET 25 Cb -0.10 -3.24 0.05 0.00 2.01 0.00 0.00 34.83 33.56 3kra s MET 25 CO 0.36 -0.10 0.89 -1.59 -0.01 0.00 0.00 175.02 174.58 3kra s LYS 26 N -0.22 1.49 0.31 2.03 -2.85 -1.26 -5.11 119.74 114.14 3kra s LYS 26 Ca 0.53 -0.87 -0.28 0.00 -1.00 0.00 0.00 55.97 54.35 3kra s LYS 26 Cb -0.33 0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 35.83 3kra s LYS 26 CO 0.37 -0.69 1.06 -1.21 0.10 0.00 0.00 175.35 174.97 3kra s GLU 27 N -3.12 4.51 -0.07 1.78 0.41 -1.26 -2.89 118.70 118.06 3kra s GLU 27 Ca 0.14 1.65 -0.30 0.00 -0.41 0.00 0.00 54.97 56.05 3kra s GLU 27 Cb -0.03 -2.98 -0.03 0.00 -1.78 0.00 0.00 34.13 29.31 3kra s GLU 27 CO 0.05 0.14 1.32 -2.14 -0.49 0.00 0.00 175.26 174.14 3kra s PRO 28 N -1.77 4.28 0.25 0.39 0.02 -1.26 -5.01 135.00 131.89 3kra s PRO 28 Ca 0.48 1.80 -0.06 0.00 0.02 0.00 0.00 61.00 63.24 3kra s PRO 28 Cb -0.27 -3.67 0.25 0.00 0.02 0.00 0.00 34.50 30.83 3kra s PRO 28 CO 0.35 -0.60 1.92 -0.07 -0.33 0.00 0.00 177.00 178.27 3kra h LEU 29 N 8.90 1.13 -0.91 -5.54 3.38 -1.97 -2.74 115.31 117.56 3kra h LEU 29 Ca -0.33 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 3kra h LEU 29 Cb 1.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3kra h LEU 29 CO 0.92 0.82 -0.43 0.50 0.09 0.00 0.00 178.44 180.34 3kra h LYS 30 N 1.33 0.25 -0.09 1.13 3.64 -1.98 0.39 116.57 121.24 3kra h LYS 30 Ca 0.36 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3kra h LYS 30 Cb -0.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3kra h LYS 30 CO -0.08 0.64 0.03 0.82 -2.27 0.00 0.00 179.45 178.59 3kra h ILE 31 N 0.21 1.16 -0.32 2.00 1.08 -1.85 -1.10 117.51 118.69 3kra h ILE 31 Ca 0.02 -0.50 -0.13 0.00 -0.39 0.00 0.00 64.86 63.85 3kra h ILE 31 Cb 0.85 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 3kra h ILE 31 CO 0.07 0.14 -0.35 0.45 -0.69 0.00 0.00 178.15 177.77 3kra h HIS 32 N -0.04 0.84 -0.51 1.37 3.86 -1.26 -1.76 115.15 117.66 3kra h HIS 32 Ca 0.03 -0.23 0.04 0.00 -1.16 0.00 0.00 60.37 59.05 3kra h HIS 32 Cb 0.20 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 3kra h HIS 32 CO -0.01 0.97 0.27 1.49 0.86 0.00 0.00 177.93 181.50 3kra h GLU 33 N 0.60 0.51 -0.54 2.45 4.81 -0.17 -1.43 114.58 120.81 3kra h GLU 33 Ca 0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3kra h GLU 33 Cb 0.88 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3kra h GLU 33 CO 0.08 0.33 0.21 1.03 -0.73 0.00 0.00 179.01 179.94 3kra h SER 34 N 0.52 0.74 -0.28 1.04 0.87 -1.01 0.39 113.55 115.82 3kra h SER 34 Ca 0.22 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3kra h SER 34 Cb 0.11 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3kra h SER 34 CO -0.14 0.71 0.12 0.24 -0.53 0.00 0.00 176.83 177.22 3kra h MET 35 N 0.73 0.25 -0.43 2.24 2.86 -0.95 -2.78 114.93 116.84 3kra h MET 35 Ca 0.18 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 3kra h MET 35 Cb 0.20 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3kra h MET 35 CO -0.01 0.16 -0.17 0.00 1.06 0.00 0.00 176.91 177.94 3kra h ARG 36 N 0.26 0.84 -0.77 1.72 3.08 -1.04 -0.20 114.38 118.27 3kra h ARG 36 Ca 0.12 -0.32 0.12 0.00 0.07 0.00 0.00 59.98 59.97 3kra h ARG 36 Cb 0.07 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 29.99 3kra h ARG 36 CO -0.11 0.95 0.38 -0.92 -1.07 0.00 0.00 179.97 179.20 3kra h TYR 37 N 0.74 0.67 0.02 3.04 5.03 -0.66 0.57 116.97 126.38 3kra h TYR 37 Ca 0.11 0.03 -0.31 0.00 2.58 0.00 0.00 58.73 61.14 3kra h TYR 37 Cb 0.69 -0.18 -0.05 0.00 1.55 0.00 0.00 36.73 38.75 3kra h TYR 37 CO 0.04 0.20 -1.83 0.43 -1.32 0.00 0.00 178.16 175.67 3kra n SER 38 N -4.88 1.08 0.06 -2.11 7.64 -1.09 -4.10 113.62 110.21 3kra n SER 38 Ca 0.13 0.33 -0.08 0.00 1.01 0.00 0.00 58.87 60.27 3kra n SER 38 Cb 0.34 -0.15 0.06 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.01 0.38 -3.86 -3.43 5.85 -0.78 -3.28 115.31 110.21 3kra h LEU 39 Ca -0.34 -0.24 -0.48 0.00 0.84 0.00 0.00 57.88 57.67 3kra h LEU 39 Cb 2.03 -0.11 -0.27 0.00 0.37 0.00 0.00 40.66 42.68 3kra h LEU 39 CO 0.07 0.95 0.50 0.18 -0.34 0.00 0.00 178.44 179.80 3kra n LEU 40 N -3.84 6.31 -0.71 2.25 4.77 0.17 -4.43 117.00 121.51 3kra n LEU 40 Ca -0.03 -3.79 0.06 0.00 -0.03 0.00 0.00 56.01 52.22 3kra n LEU 40 Cb 0.67 -0.81 0.17 0.00 -2.33 0.00 0.00 43.42 41.12 3kra n LEU 40 CO 0.46 1.19 0.64 0.00 -1.33 0.00 0.00 177.39 178.36 3kra n ALA 41 N -1.10 2.46 -0.05 -1.18 0.00 -1.24 -4.99 120.51 114.41 3kra n ALA 41 Ca 0.55 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kra n ALA 41 Cb 1.37 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 1.08 -1.06 0.00 0.00 0.00 -1.26 -5.08 105.19 98.86 3kra n GLY 42 Ca 0.13 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 0.29 0.19 -0.02 0.00 -1.26 -4.80 105.19 99.59 3kra n GLY 43 Ca 0.00 -2.30 0.08 0.00 0.00 0.00 0.00 46.02 43.79 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 8.16 0.00 -6.07 1.61 1.57 -2.00 -3.48 116.57 116.37 3kra h LYS 44 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 3kra h LYS 44 Cb 0.00 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.36 3kra h LYS 44 CO 0.00 0.28 -0.74 0.54 -0.57 0.00 0.00 179.45 178.96 3kra n ARG 45 N -3.25 -6.39 -0.26 3.15 5.12 -1.26 -4.77 116.66 109.00 3kra n ARG 45 Ca 0.02 0.70 -0.02 0.00 -1.93 0.00 0.00 57.85 56.62 3kra n ARG 45 Cb 0.57 -5.62 0.17 0.00 -1.16 0.00 0.00 32.46 26.42 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 -2.26 1.23 -0.23 1.55 2.07 -1.99 -1.35 116.25 115.26 3kra h VAL 46 Ca -0.58 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.29 3kra h VAL 46 Cb 1.37 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3kra h VAL 46 CO 0.61 0.25 -0.27 0.03 0.02 0.00 0.00 177.57 178.21 3kra h ARG 47 N 1.10 0.59 -0.79 1.57 3.08 -1.95 0.12 114.38 118.11 3kra h ARG 47 Ca 0.28 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3kra h ARG 47 Cb -0.00 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3kra h ARG 47 CO -0.05 0.93 0.40 -1.35 -1.07 0.00 0.00 179.97 178.83 3kra h PRO 48 N 0.29 1.12 -0.42 0.04 0.11 -1.69 -1.92 132.00 129.53 3kra h PRO 48 Ca 0.03 -0.15 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 3kra h PRO 48 Cb 0.84 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 3kra h PRO 48 CO 0.07 0.85 0.10 0.52 -0.21 0.00 0.00 178.00 179.32 3kra h MET 49 N 1.12 0.68 -0.72 1.05 2.86 -0.96 -0.31 114.93 118.64 3kra h MET 49 Ca 0.28 -0.17 0.07 0.00 -2.06 0.00 0.00 59.70 57.82 3kra h MET 49 Cb 0.08 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 3kra h MET 49 CO -0.04 0.70 0.40 -0.07 1.06 0.00 0.00 176.91 178.96 3kra h LEU 50 N 0.54 0.58 -0.09 1.22 3.38 -0.55 0.16 115.31 120.55 3kra h LEU 50 Ca 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3kra h LEU 50 Cb 0.33 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kra h LEU 50 CO 0.00 0.36 0.01 0.00 0.09 0.00 0.00 178.44 178.90 3kra h ILE 52 N -0.10 1.19 -0.71 0.00 2.04 -0.82 -1.65 117.51 117.46 3kra h ILE 52 Ca 0.03 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3kra h ILE 52 Cb 0.32 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3kra h ILE 52 CO 0.00 0.21 0.27 0.00 0.00 0.00 0.00 178.15 178.63 3kra h ALA 53 N 1.01 0.92 -0.54 1.87 0.00 -0.68 -0.21 119.26 121.62 3kra h ALA 53 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3kra h ALA 53 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kra h ALA 53 CO -0.01 0.56 0.07 0.00 0.00 0.00 0.00 179.25 179.87 3kra h ALA 54 N 1.12 1.11 -0.10 0.00 0.00 -0.98 0.53 119.26 120.94 3kra h ALA 54 Ca 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kra h ALA 54 Cb 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kra h ALA 54 CO -0.02 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.80 3kra h GLU 56 N -0.11 1.09 -0.56 0.00 5.08 -0.80 0.29 114.58 119.56 3kra h GLU 56 Ca 0.03 -0.32 0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3kra h GLU 56 Cb 0.39 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 3kra h GLU 56 CO 0.01 1.03 0.13 1.25 -1.00 0.00 0.00 179.01 180.42 3kra h LEU 57 N 1.00 0.02 -0.50 1.33 5.85 0.15 -0.90 115.31 122.26 3kra h LEU 57 Ca 0.19 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3kra h LEU 57 Cb 0.50 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3kra h LEU 57 CO 0.02 0.03 0.00 1.33 -0.34 0.00 0.00 178.44 179.48 3kra n VAL 58 N -5.11 0.11 0.00 1.05 0.24 -1.05 -4.89 118.33 108.68 3kra n VAL 58 Ca 0.08 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3kra n VAL 58 Cb 0.29 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 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 0.90 0.77 0.88 7.63 0.00 -0.34 -4.65 105.19 110.39 3kra n GLY 59 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.92 1.08 3.56 -0.02 0.00 0.07 -4.97 105.19 103.99 3kra n GLY 60 Ca 0.00 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.89 3.80 0.19 1.61 3.84 -1.26 -3.98 116.67 118.98 3kra s ASP 61 Ca 0.15 -1.19 -0.12 0.00 -0.00 0.00 0.00 52.55 51.39 3kra s ASP 61 Cb -0.01 -0.38 0.20 0.00 -1.38 0.00 0.00 42.92 41.35 3kra s ASP 61 CO 0.10 -0.23 1.74 -0.08 -0.00 0.00 0.00 175.17 176.69 3kra h GLU 62 N 1.97 0.31 -0.01 2.11 4.81 -1.95 -2.42 114.58 119.40 3kra h GLU 62 Ca -0.42 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kra h GLU 62 Cb 1.25 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 3kra h GLU 62 CO 0.71 0.21 0.01 0.66 -0.73 0.00 0.00 179.01 179.86 3kra h SER 63 N 0.32 0.00 -0.13 1.04 4.64 -1.96 0.12 113.55 117.58 3kra h SER 63 Ca 0.26 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.40 3kra h SER 63 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3kra h SER 63 CO -0.28 0.00 -0.55 0.74 -0.87 0.00 0.00 176.83 175.87 3kra h THR 64 N 0.00 1.30 0.00 2.95 2.02 -1.64 -3.24 112.91 114.30 3kra h THR 64 Ca 0.01 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.43 3kra h THR 64 Cb 0.02 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3kra h THR 64 CO -0.00 0.56 -0.30 0.00 0.37 0.00 0.00 175.52 176.15 3kra h ALA 65 N 0.83 0.80 -0.46 6.16 0.00 -1.14 -3.40 119.26 122.04 3kra h ALA 65 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3kra h ALA 65 Cb 1.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3kra h ALA 65 CO 0.11 0.00 0.21 1.98 0.00 0.00 0.00 179.25 181.55 3kra h MET 66 N 0.00 0.41 -0.45 0.00 4.05 -1.04 0.24 114.93 118.14 3kra h MET 66 Ca 0.00 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3kra h MET 66 Cb 0.76 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 3kra h MET 66 CO 0.00 0.27 0.30 -1.35 0.23 0.00 0.00 176.91 176.35 3kra h PRO 67 N 0.42 0.58 -0.67 0.39 0.11 -1.81 0.89 132.00 131.91 3kra h PRO 67 Ca 0.21 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 3kra h PRO 67 Cb 0.15 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 3kra h PRO 67 CO -0.17 0.39 0.19 0.00 -0.21 0.00 0.00 178.00 178.20 3kra h ALA 68 N 1.17 0.88 -0.45 -0.75 0.00 -1.72 0.14 119.26 118.54 3kra h ALA 68 Ca 0.17 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kra h ALA 68 Cb -0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3kra h ALA 68 CO -0.04 0.58 0.25 0.00 0.00 0.00 0.00 179.25 180.04 3kra h ALA 69 N 1.08 0.56 -0.75 0.00 0.00 -0.05 -1.62 119.26 118.48 3kra h ALA 69 Ca 0.21 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kra h ALA 69 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3kra h ALA 69 CO -0.00 -0.07 0.30 0.00 0.00 0.00 0.00 179.25 179.48 3kra h ALA 71 N 1.15 -0.07 -0.06 0.00 0.00 -0.37 0.35 119.26 120.25 3kra h ALA 71 Ca 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3kra h ALA 71 Cb 0.21 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kra h ALA 71 CO -0.02 -0.58 -0.05 -0.39 0.00 0.00 0.00 179.25 178.21 3kra h VAL 72 N -0.15 1.08 -0.06 0.00 -1.51 -1.27 0.16 116.25 114.50 3kra h VAL 72 Ca 0.06 -0.33 -0.18 0.00 -1.23 0.00 0.00 66.70 65.01 3kra h VAL 72 Cb 0.23 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 3kra h VAL 72 CO -0.15 0.10 -0.74 -0.08 -1.23 0.00 0.00 177.57 175.48 3kra h GLU 73 N 0.09 0.34 -0.92 5.19 4.57 -1.07 -0.68 114.58 122.09 3kra h GLU 73 Ca 0.02 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3kra h GLU 73 Cb 0.15 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3kra h GLU 73 CO 0.01 0.94 0.52 0.52 -1.18 0.00 0.00 179.01 179.82 3kra h MET 74 N 0.23 1.27 -0.16 1.92 2.86 0.15 0.99 114.93 122.20 3kra h MET 74 Ca -0.03 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 3kra h MET 74 Cb 1.32 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 3kra h MET 74 CO 0.12 0.92 -0.08 0.82 1.06 0.00 0.00 176.91 179.75 3kra h ILE 75 N 1.28 1.31 -0.44 -1.22 1.08 -0.93 -1.37 117.51 117.23 3kra h ILE 75 Ca 0.33 -1.12 0.05 0.00 -0.39 0.00 0.00 64.86 63.72 3kra h ILE 75 Cb -0.00 1.72 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 3kra h ILE 75 CO -0.06 0.33 0.19 -0.74 -0.69 0.00 0.00 178.15 177.18 3kra h HIS 76 N -0.00 0.34 -0.20 1.37 2.76 -0.87 0.77 115.15 119.31 3kra h HIS 76 Ca 0.03 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 3kra h HIS 76 Cb 0.55 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3kra h HIS 76 CO 0.07 0.15 0.07 1.15 -1.30 0.00 0.00 177.93 178.06 3kra h THR 77 N 0.38 0.95 0.00 6.26 2.02 -0.73 -2.47 112.91 119.32 3kra h THR 77 Ca 0.20 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 3kra h THR 77 Cb 0.15 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3kra h THR 77 CO -0.17 0.03 -0.41 0.00 0.37 0.00 0.00 175.52 175.34 3kra h MET 78 N 0.16 0.00 -0.06 6.66 -0.00 -0.75 -0.88 114.93 120.07 3kra h MET 78 Ca 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.72 3kra h MET 78 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.64 3kra h MET 78 CO -0.09 0.41 -0.26 0.66 -0.00 0.00 0.00 176.91 177.63 3kra h SER 79 N 0.00 0.10 0.19 -0.10 4.64 -0.57 0.51 113.55 118.32 3kra h SER 79 Ca -0.00 -0.03 -0.25 0.00 -0.47 0.00 0.00 61.79 61.04 3kra h SER 79 Cb 0.98 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3kra h SER 79 CO 0.05 0.37 -1.00 -0.07 -0.87 0.00 0.00 176.83 175.31 3kra h LEU 80 N 0.10 0.70 -0.73 5.97 3.38 -0.97 -0.26 115.31 123.50 3kra h LEU 80 Ca 0.01 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.45 3kra h LEU 80 Cb 0.52 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3kra h LEU 80 CO 0.04 1.37 0.46 0.24 0.09 0.00 0.00 178.44 180.63 3kra h MET 81 N 0.30 0.87 -0.01 1.13 2.86 -0.57 0.10 114.93 119.61 3kra h MET 81 Ca -0.10 -0.05 -0.19 0.00 -2.06 0.00 0.00 59.70 57.29 3kra h MET 81 Cb 1.64 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.10 3kra h MET 81 CO 0.18 0.58 -0.84 0.45 1.06 0.00 0.00 176.91 178.34 3kra h HIS 82 N 0.90 0.37 -0.12 -0.22 3.86 -0.87 -3.22 115.15 115.84 3kra h HIS 82 Ca 0.29 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 3kra h HIS 82 Cb 0.02 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3kra h HIS 82 CO -0.04 0.98 -0.22 0.22 0.86 0.00 0.00 177.93 179.74 3kra h ASP 83 N 0.15 0.20 1.29 2.45 3.58 -0.30 -2.80 116.42 120.99 3kra h ASP 83 Ca -0.04 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.35 3kra h ASP 83 Cb 1.45 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.45 3kra h ASP 83 CO 0.13 0.44 0.00 0.44 -2.88 0.00 0.00 179.24 177.37 3kra h ASP 84 N 0.20 0.00 -3.76 2.28 3.32 -0.84 -0.51 116.42 117.11 3kra h ASP 84 Ca 0.03 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.53 3kra h ASP 84 Cb 0.50 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.23 3kra h ASP 84 CO 0.03 0.00 0.08 0.18 -1.72 0.00 0.00 179.24 177.81 3kra n LEU 85 N -2.71 3.35 -0.35 1.55 4.77 -1.06 -0.73 117.00 121.82 3kra n LEU 85 Ca 0.03 0.65 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 3kra n LEU 85 Cb 0.37 -1.40 0.29 0.00 -2.33 0.00 0.00 43.42 40.35 3kra n LEU 85 CO 0.28 -2.10 1.19 -0.65 -1.33 0.00 0.00 177.39 174.78 3kra h PRO 86 N -0.31 0.78 0.00 3.23 0.11 -1.90 0.27 132.00 134.18 3kra h PRO 86 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kra h PRO 86 Cb 1.33 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kra h PRO 86 CO 0.46 0.52 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 3kra n MET 88 N -1.48 0.00 0.06 0.00 2.81 0.73 -4.96 117.12 114.28 3kra n MET 88 Ca 0.04 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 3kra n MET 88 Cb 0.20 0.00 0.17 0.00 -0.71 0.00 0.00 33.22 32.88 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 -5.95 7.83 3.45 -0.87 -3.48 116.42 117.40 3kra h ASP 89 Ca 0.00 -0.20 -0.37 0.00 0.43 0.00 0.00 57.03 56.89 3kra h ASP 89 Cb 0.00 0.00 0.13 0.00 -0.56 0.00 0.00 39.33 38.90 3kra h ASP 89 CO 0.00 0.10 -0.91 -3.20 -1.57 0.00 0.00 179.24 173.66 3kra n ASN 90 N -2.14 -5.59 -4.71 6.45 5.15 0.16 -4.96 115.26 109.62 3kra n ASN 90 Ca 0.03 -0.90 -0.35 0.00 -0.60 0.00 0.00 54.58 52.76 3kra n ASN 90 Cb 0.44 -4.06 -0.09 0.00 -0.53 0.00 0.00 39.78 35.55 3kra n ASN 90 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3kra s ASP 91 N -3.48 5.84 0.15 1.20 -0.00 0.09 -4.90 116.67 115.57 3kra s ASP 91 Ca 0.45 0.19 0.24 0.00 -0.00 0.00 0.00 52.55 53.43 3kra s ASP 91 Cb -0.12 -1.95 0.29 0.00 -0.00 0.00 0.00 42.92 41.14 3kra s ASP 91 CO 0.82 0.24 1.29 0.44 -0.00 0.00 0.00 175.17 177.97 3kra h ASP 92 N 6.18 0.00 -4.89 0.27 3.45 -1.93 -3.43 116.42 116.07 3kra h ASP 92 Ca -0.43 -0.16 -0.19 0.00 0.43 0.00 0.00 57.03 56.68 3kra h ASP 92 Cb 1.18 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 39.78 3kra h ASP 92 CO 0.67 0.08 -0.70 -0.76 -1.57 0.00 0.00 179.24 176.96 3kra s LEU 93 N -4.54 2.42 -0.21 1.55 1.43 -1.26 -1.79 118.68 116.28 3kra s LEU 93 Ca 0.05 -0.84 -0.16 0.00 -1.03 0.00 0.00 54.13 52.15 3kra s LEU 93 Cb 0.12 0.02 0.06 0.00 0.03 0.00 0.00 46.19 46.42 3kra s LEU 93 CO 0.73 -0.43 0.54 -0.60 0.23 0.00 0.00 176.35 176.81 3kra s ARG 94 N -3.08 0.60 -2.21 1.70 3.52 0.17 -4.71 118.95 114.94 3kra s ARG 94 Ca 0.02 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.46 3kra s ARG 94 Cb 0.01 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 3kra s ARG 94 CO -0.05 -0.11 0.00 0.54 -0.81 0.00 0.00 175.30 174.88 3kra n ARG 95 N 3.35 -1.46 -0.96 5.12 1.74 -1.26 -0.41 116.66 122.77 3kra n ARG 95 Ca -0.17 1.23 0.00 0.00 -0.77 0.00 0.00 57.85 58.14 3kra n ARG 95 Cb 0.56 -5.62 0.00 0.00 -1.02 0.00 0.00 32.46 26.38 3kra n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kra n GLY 96 N -0.40 0.70 3.58 -0.13 0.00 -1.26 -5.03 105.19 102.65 3kra n GLY 96 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3kra n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kra s LYS 97 N -0.18 2.09 0.42 1.61 2.20 0.45 -5.08 119.74 121.25 3kra s LYS 97 Ca 0.00 -1.45 -0.26 0.00 -0.36 0.00 0.00 55.97 53.89 3kra s LYS 97 Cb 0.00 -2.07 -0.09 0.00 -1.51 0.00 0.00 37.83 34.15 3kra s LYS 97 CO 0.00 0.38 1.44 -2.14 -0.36 0.00 0.00 175.35 174.66 3kra s PRO 98 N -3.40 3.88 0.91 4.03 0.02 -1.26 -0.66 135.00 138.52 3kra s PRO 98 Ca 0.29 2.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.66 3kra s PRO 98 Cb -0.07 -2.79 0.14 0.00 0.02 0.00 0.00 34.50 31.80 3kra s PRO 98 CO 0.17 -0.67 1.11 0.95 -0.33 0.00 0.00 177.00 178.23 3kra s THR 99 N -1.17 2.42 0.17 0.99 -4.23 -0.74 -4.72 115.64 108.35 3kra s THR 99 Ca 0.57 0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 61.07 3kra s THR 99 Cb -0.44 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.14 3kra s THR 99 CO 0.58 -0.18 1.75 -1.13 -0.54 0.00 0.00 174.62 175.10 3kra h ASN 100 N -1.76 0.15 0.89 3.99 -0.73 -1.92 -1.57 115.58 114.63 3kra h ASN 100 Ca -0.46 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 57.75 3kra h ASN 100 Cb 1.27 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.90 3kra h ASN 100 CO 0.46 0.12 -0.06 1.12 -0.37 0.00 0.00 177.43 178.70 3kra h HIS 101 N 0.31 0.00 0.00 0.67 2.07 -1.90 -0.28 115.15 116.02 3kra h HIS 101 Ca 0.20 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.59 3kra h HIS 101 Cb 0.20 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.16 3kra h HIS 101 CO -0.16 0.06 -0.62 0.52 -3.07 0.00 0.00 177.93 174.67 3kra h MET 102 N 0.00 0.00 0.03 5.12 2.86 -1.60 0.23 114.93 121.58 3kra h MET 102 Ca -0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 3kra h MET 102 Cb 0.53 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 3kra h MET 102 CO 0.01 0.62 -1.66 0.00 1.06 0.00 0.00 176.91 176.93 3kra h ALA 103 N 1.38 0.64 -0.00 6.32 0.00 -0.78 -3.41 119.26 123.42 3kra h ALA 103 Ca -0.01 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.53 3kra h ALA 103 Cb 1.30 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3kra h ALA 103 CO 0.08 1.47 -0.02 1.19 0.00 0.00 0.00 179.25 181.97 3kra n PHE 104 N -3.18 0.00 0.00 0.00 3.01 -0.19 -5.12 117.46 111.99 3kra n PHE 104 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3kra n PHE 104 Cb 1.04 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 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 0.68 1.61 0.19 1.37 0.00 0.82 -4.43 105.19 105.43 3kra n GLY 105 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 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 0.33 -0.54 1.61 5.08 -1.92 -2.58 114.58 116.57 3kra h GLU 106 Ca 0.00 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3kra h GLU 106 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3kra h GLU 106 CO 0.00 0.77 0.22 1.03 -1.00 0.00 0.00 179.01 180.04 3kra h SER 107 N 0.26 0.74 -0.39 1.42 0.87 -1.94 -1.24 113.55 113.28 3kra h SER 107 Ca 0.01 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 3kra h SER 107 Cb 1.00 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 3kra h SER 107 CO 0.09 0.70 0.01 0.58 -0.53 0.00 0.00 176.83 177.68 3kra h VAL 108 N 0.74 1.26 -0.93 2.23 2.07 -1.77 -2.45 116.25 117.39 3kra h VAL 108 Ca 0.18 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3kra h VAL 108 Cb 0.19 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3kra h VAL 108 CO -0.02 0.33 0.58 0.00 0.02 0.00 0.00 177.57 178.48 3kra h ALA 109 N 0.89 1.18 0.04 1.67 0.00 -1.24 0.50 119.26 122.29 3kra h ALA 109 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kra h ALA 109 Cb 0.45 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kra h ALA 109 CO 0.02 0.62 -0.02 0.28 0.00 0.00 0.00 179.25 180.15 3kra h VAL 110 N 1.27 1.14 -0.43 0.00 2.07 -1.16 -1.23 116.25 117.91 3kra h VAL 110 Ca 0.34 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 3kra h VAL 110 Cb -0.09 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3kra h VAL 110 CO -0.07 0.14 -0.25 -0.07 0.02 0.00 0.00 177.57 177.34 3kra h LEU 111 N -0.30 0.93 -0.96 2.57 3.38 -1.14 -1.04 115.31 118.75 3kra h LEU 111 Ca -0.01 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 3kra h LEU 111 Cb 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3kra h LEU 111 CO 0.01 1.13 -0.12 0.00 0.09 0.00 0.00 178.44 179.55 3kra h ALA 112 N 0.93 1.13 -0.19 1.53 0.00 -0.02 0.13 119.26 122.77 3kra h ALA 112 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3kra h ALA 112 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kra h ALA 112 CO 0.07 0.55 0.06 0.78 0.00 0.00 0.00 179.25 180.71 3kra h GLY 113 N 0.96 0.31 1.71 0.00 0.00 -0.80 -1.95 103.07 103.30 3kra h GLY 113 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3kra h GLY 113 CO 0.03 0.17 0.14 -0.55 0.00 0.00 0.00 176.54 176.33 3kra h ASP 114 N 0.13 0.34 -0.38 0.19 3.32 -0.76 -1.71 116.42 117.56 3kra h ASP 114 Ca 0.06 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3kra h ASP 114 Cb 0.22 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3kra h ASP 114 CO -0.00 0.30 0.12 0.00 -1.72 0.00 0.00 179.24 177.93 3kra h ALA 115 N 1.76 0.49 -0.79 3.45 0.00 -0.36 -1.53 119.26 122.28 3kra h ALA 115 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kra h ALA 115 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3kra h ALA 115 CO -0.01 0.13 0.41 -0.07 0.00 0.00 0.00 179.25 179.70 3kra h LEU 116 N 0.46 1.01 -0.03 0.00 3.38 -0.89 0.19 115.31 119.43 3kra h LEU 116 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kra h LEU 116 Cb 0.25 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kra h LEU 116 CO -0.00 0.83 0.01 0.25 0.09 0.00 0.00 178.44 179.62 3kra h LEU 117 N 1.12 0.05 -0.45 1.67 5.85 -1.10 -0.48 115.31 121.97 3kra h LEU 117 Ca 0.28 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3kra h LEU 117 Cb 0.07 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3kra h LEU 117 CO -0.04 0.25 0.08 -1.28 -0.34 0.00 0.00 178.44 177.12 3kra h SER 118 N -0.16 0.70 0.43 1.25 0.87 -1.10 -2.96 113.55 112.58 3kra h SER 118 Ca 0.01 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.28 3kra h SER 118 Cb 0.22 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3kra h SER 118 CO -0.00 0.78 -0.18 0.15 -0.53 0.00 0.00 176.83 177.04 3kra h PHE 119 N 0.60 0.00 -0.34 2.24 3.04 -0.55 -1.68 116.94 120.25 3kra h PHE 119 Ca 0.14 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.11 3kra h PHE 119 Cb 0.37 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 3kra h PHE 119 CO 0.02 0.18 0.18 0.00 -2.02 0.00 0.00 178.31 176.68 3kra h ALA 120 N 1.82 0.42 -0.20 2.41 0.00 -0.90 0.18 119.26 122.99 3kra h ALA 120 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kra h ALA 120 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kra h ALA 120 CO 0.02 -0.19 -0.05 0.74 0.00 0.00 0.00 179.25 179.78 3kra h PHE 121 N 0.37 0.44 -0.31 0.00 0.04 -1.50 -2.22 116.94 113.75 3kra h PHE 121 Ca 0.14 -0.09 0.05 0.00 2.80 0.00 0.00 57.97 60.87 3kra h PHE 121 Cb 0.04 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.04 3kra h PHE 121 CO -0.09 0.64 0.01 1.49 -0.60 0.00 0.00 178.31 179.76 3kra h GLU 122 N 0.11 0.10 -0.30 1.51 4.81 -0.97 -1.10 114.58 118.76 3kra h GLU 122 Ca 0.05 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3kra h GLU 122 Cb 0.49 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3kra h GLU 122 CO 0.02 0.07 0.03 1.25 -0.73 0.00 0.00 179.01 179.65 3kra h HIS 123 N 0.11 0.53 -0.57 0.92 2.76 -0.61 0.19 115.15 118.49 3kra h HIS 123 Ca 0.15 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3kra h HIS 123 Cb 0.19 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 3kra h HIS 123 CO -0.21 0.60 0.26 0.28 -1.30 0.00 0.00 177.93 177.56 3kra h VAL 124 N 0.31 1.21 -0.49 5.26 2.07 -1.37 0.25 116.25 123.50 3kra h VAL 124 Ca 0.09 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 3kra h VAL 124 Cb 0.37 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3kra h VAL 124 CO 0.01 0.25 -0.10 0.00 0.02 0.00 0.00 177.57 177.74 3kra h ALA 125 N 1.10 0.67 0.02 1.67 0.00 -0.97 -3.08 119.26 118.67 3kra h ALA 125 Ca 0.19 -0.34 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 3kra h ALA 125 Cb 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3kra h ALA 125 CO -0.02 0.57 -1.87 0.00 0.00 0.00 0.00 179.25 177.93 3kra n ALA 126 N -2.48 1.38 0.84 0.00 0.00 0.66 -4.52 120.51 116.40 3kra n ALA 126 Ca 0.00 -0.81 0.11 0.00 0.00 0.00 0.00 53.44 52.74 3kra n ALA 126 Cb 0.39 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.68 4.21 -2.25 0.00 0.00 0.07 -4.94 120.51 114.93 3kra n ALA 127 Ca -0.22 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.26 3kra n ALA 127 Cb 1.06 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 -3.08 3.79 0.07 0.00 2.01 -1.16 -4.90 115.64 112.37 3kra s THR 128 Ca 0.06 1.15 0.07 0.00 0.31 0.00 0.00 61.69 63.29 3kra s THR 128 Cb 0.16 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 3kra s THR 128 CO 0.84 -0.01 -0.20 -0.54 -0.69 0.00 0.00 174.62 174.02 3kra s LYS 129 N 2.52 1.21 0.00 4.92 -0.14 -1.26 -4.79 119.74 122.19 3kra s LYS 129 Ca 0.63 -1.02 0.00 0.00 -1.36 0.00 0.00 55.97 54.22 3kra s LYS 129 Cb -0.30 -1.37 0.00 0.00 -1.68 0.00 0.00 37.83 34.48 3kra s LYS 129 CO 0.25 0.33 0.00 0.41 -0.76 0.00 0.00 175.35 175.59 3kra n GLY 130 N 1.49 0.96 3.28 -3.33 0.00 -1.26 -4.39 105.19 101.94 3kra n GLY 130 Ca -0.18 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.98 0.81 4.61 0.00 -1.26 -5.03 121.76 117.91 3kra s ALA 131 Ca 0.00 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 3kra s ALA 131 Cb 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 23.12 22.51 3kra s ALA 131 CO 0.00 -0.20 1.09 -1.25 0.00 0.00 0.00 175.76 175.41 3kra s PRO 132 N 0.36 1.98 0.20 0.00 0.04 -1.26 -4.80 135.00 131.51 3kra s PRO 132 Ca -0.01 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.05 3kra s PRO 132 Cb -0.03 -1.87 0.24 0.00 0.04 0.00 0.00 34.50 32.87 3kra s PRO 132 CO -0.01 -1.83 1.76 -1.35 0.04 0.00 0.00 177.00 175.61 3kra h PRO 133 N -1.26 0.46 -0.97 0.56 0.11 -1.99 -1.66 132.00 127.24 3kra h PRO 133 Ca -0.45 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.74 3kra h PRO 133 Cb 1.24 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 3kra h PRO 133 CO 0.51 0.30 0.60 1.05 -0.21 0.00 0.00 178.00 180.26 3kra h GLU 134 N 0.47 0.95 -0.39 1.05 4.11 -1.99 0.18 114.58 118.96 3kra h GLU 134 Ca 0.28 -0.06 -0.15 0.00 0.07 0.00 0.00 59.36 59.51 3kra h GLU 134 Cb 0.29 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3kra h GLU 134 CO -0.25 0.63 -0.34 -0.09 0.07 0.00 0.00 179.01 179.04 3kra h ARG 135 N 0.98 0.89 -0.29 1.06 2.43 -1.74 -0.03 114.38 117.68 3kra h ARG 135 Ca 0.47 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3kra h ARG 135 Cb 0.42 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3kra h ARG 135 CO -0.25 1.08 -0.03 0.82 -1.51 0.00 0.00 179.97 180.08 3kra h ILE 136 N 0.74 1.27 -0.67 1.20 2.04 -0.35 -2.08 117.51 119.65 3kra h ILE 136 Ca 0.07 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.93 3kra h ILE 136 Cb 0.91 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 3kra h ILE 136 CO 0.08 0.32 0.44 0.58 0.00 0.00 0.00 178.15 179.58 3kra h VAL 137 N 0.31 1.16 -0.93 1.67 2.07 -0.60 -0.82 116.25 119.12 3kra h VAL 137 Ca 0.08 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.34 3kra h VAL 137 Cb 0.48 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 3kra h VAL 137 CO 0.02 0.16 0.61 -0.09 0.02 0.00 0.00 177.57 178.29 3kra h ARG 138 N 0.90 1.11 -0.48 1.57 2.43 -0.80 -1.38 114.38 117.71 3kra h ARG 138 Ca 0.25 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 3kra h ARG 138 Cb -0.09 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.20 3kra h ARG 138 CO -0.06 0.73 -0.15 0.28 -1.51 0.00 0.00 179.97 179.26 3kra h VAL 139 N 1.14 1.27 -0.77 0.20 2.07 -0.90 -0.86 116.25 118.39 3kra h VAL 139 Ca 0.38 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3kra h VAL 139 Cb 0.06 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3kra h VAL 139 CO -0.12 0.45 0.40 -0.07 0.02 0.00 0.00 177.57 178.25 3kra h LEU 140 N 0.80 0.98 -0.50 2.57 3.38 -0.49 0.25 115.31 122.29 3kra h LEU 140 Ca 0.12 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kra h LEU 140 Cb 0.71 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3kra h LEU 140 CO 0.05 0.80 0.17 1.23 0.09 0.00 0.00 178.44 180.79 3kra h GLY 141 N 1.13 0.83 1.06 0.83 0.00 -0.92 -1.29 103.07 104.71 3kra h GLY 141 Ca 0.27 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 3kra h GLY 141 CO -0.04 0.45 0.01 0.83 0.00 0.00 0.00 176.54 177.79 3kra h GLU 142 N 0.68 1.01 -0.35 4.80 4.39 -0.56 -0.98 114.58 123.57 3kra h GLU 142 Ca 0.16 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.55 3kra h GLU 142 Cb 0.25 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3kra h GLU 142 CO -0.01 1.00 0.23 1.25 -1.16 0.00 0.00 179.01 180.32 3kra h LEU 143 N 0.90 0.39 -0.55 1.33 5.85 -0.79 -1.87 115.31 120.56 3kra h LEU 143 Ca 0.16 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3kra h LEU 143 Cb 0.53 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3kra h LEU 143 CO 0.03 0.28 0.32 0.00 -0.34 0.00 0.00 178.44 178.73 3kra h ALA 144 N 1.13 0.72 -0.29 1.25 0.00 -0.84 -2.50 119.26 118.72 3kra h ALA 144 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3kra h ALA 144 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kra h ALA 144 CO -0.03 0.01 -0.28 0.28 0.00 0.00 0.00 179.25 179.23 3kra h VAL 145 N 0.62 1.28 0.00 0.00 2.07 -1.01 -2.18 116.25 117.02 3kra h VAL 145 Ca 0.23 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3kra h VAL 145 Cb 0.07 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3kra h VAL 145 CO -0.12 0.44 0.00 0.77 0.02 0.00 0.00 177.57 178.67 3kra h SER 146 N 0.51 0.00 -0.01 0.57 4.64 -0.99 -3.31 113.55 114.97 3kra h SER 146 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3kra h SER 146 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3kra h SER 146 CO 0.06 0.00 -0.08 2.30 -0.87 0.00 0.00 176.83 178.24 3kra n ILE 147 N -2.83 0.00 -0.77 0.95 -5.35 -0.97 -1.01 119.36 109.38 3kra n ILE 147 Ca 0.02 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 3kra n ILE 147 Cb 0.35 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 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 0.58 1.66 0.00 3.28 0.00 -0.85 -2.35 105.19 107.51 3kra n GLY 148 Ca 0.03 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 -0.39 1.61 7.64 -1.26 -0.61 113.62 120.60 3kra n SER 149 Ca 0.00 0.37 0.07 0.00 1.01 0.00 0.00 58.87 60.32 3kra n SER 149 Cb 0.00 -0.40 0.13 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.40 1.09 0.00 1.43 1.02 -1.26 -4.40 120.64 117.12 3kra n GLU 150 Ca 0.01 -2.53 0.00 0.00 -0.02 0.00 0.00 57.16 54.63 3kra n GLU 150 Cb 0.04 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.00 4.04 0.43 0.62 0.00 0.22 -4.84 105.19 104.66 3kra n GLY 151 Ca 0.14 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.62 -0.94 0.99 6.46 -0.95 -2.29 115.31 116.95 3kra h LEU 152 Ca 0.00 0.22 0.08 0.00 -0.12 0.00 0.00 57.88 58.06 3kra h LEU 152 Cb 0.00 0.68 -0.07 0.00 -0.73 0.00 0.00 40.66 40.54 3kra h LEU 152 CO 0.00 -0.40 0.59 0.58 -0.62 0.00 0.00 178.44 178.59 3kra h VAL 153 N -0.40 1.03 -0.85 1.05 2.07 -1.14 -1.72 116.25 116.29 3kra h VAL 153 Ca 0.10 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3kra h VAL 153 Cb 0.61 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 3kra h VAL 153 CO -0.55 0.19 0.55 0.00 0.02 0.00 0.00 177.57 177.78 3kra h ALA 154 N 1.45 1.11 -0.12 1.67 0.00 -1.04 0.82 119.26 123.15 3kra h ALA 154 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3kra h ALA 154 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kra h ALA 154 CO -0.19 0.41 0.07 0.78 0.00 0.00 0.00 179.25 180.31 3kra h GLY 155 N 1.09 0.16 0.84 0.00 0.00 -0.95 0.20 103.07 104.41 3kra h GLY 155 Ca 0.33 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.63 3kra h GLY 155 CO -0.10 0.05 0.01 1.46 0.00 0.00 0.00 176.54 177.96 3kra h GLN 156 N 0.14 0.05 -0.49 4.80 1.08 -0.92 0.22 115.11 119.99 3kra h GLN 156 Ca 0.04 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3kra h GLN 156 Cb -0.01 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3kra h GLN 156 CO -0.02 0.04 0.21 0.28 -0.95 0.00 0.00 178.83 178.39 3kra h VAL 157 N 0.06 1.20 -0.42 -0.54 2.07 -0.64 -0.35 116.25 117.63 3kra h VAL 157 Ca 0.06 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 3kra h VAL 157 Cb 0.06 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3kra h VAL 157 CO -0.09 0.23 -0.07 0.58 0.02 0.00 0.00 177.57 178.25 3kra h VAL 158 N 0.65 1.24 0.13 2.57 2.07 -0.81 -1.39 116.25 120.70 3kra h VAL 158 Ca 0.17 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3kra h VAL 158 Cb 0.16 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3kra h VAL 158 CO -0.02 0.36 -0.06 -0.78 0.02 0.00 0.00 177.57 177.10 3kra h ASP 159 N 0.66 -0.14 0.59 0.57 3.58 -0.52 -2.09 116.42 119.07 3kra h ASP 159 Ca 0.12 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 3kra h ASP 159 Cb 0.51 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 3kra h ASP 159 CO 0.03 0.10 -0.23 -0.37 -2.88 0.00 0.00 179.24 175.88 3kra h VAL 160 N -0.39 0.73 -0.01 2.25 -1.51 -0.95 -2.32 116.25 114.06 3kra h VAL 160 Ca -0.02 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 3kra h VAL 160 Cb 0.31 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3kra h VAL 160 CO 0.03 0.23 -0.05 0.00 -1.23 0.00 0.00 177.57 176.55 3kra n SER 162 N -0.48 4.40 -0.01 0.00 7.64 -0.79 -4.73 113.62 119.65 3kra n SER 162 Ca 0.19 -3.48 -0.21 0.00 1.01 0.00 0.00 58.87 56.37 3kra n SER 162 Cb 0.27 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 62.97 3kra n SER 162 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3kra h GLU 163 N 2.26 0.22 -0.71 1.43 5.08 -1.67 -3.35 114.58 117.84 3kra h GLU 163 Ca 0.29 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3kra h GLU 163 Cb 1.48 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3kra h GLU 163 CO 0.67 1.18 0.00 0.41 -1.00 0.00 0.00 179.01 180.27 3kra n GLY 164 N 1.75 0.93 3.71 -3.84 0.00 -1.26 -4.85 105.19 101.62 3kra n GLY 164 Ca -0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 3kra n GLY 164 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kra n MET 165 N -0.01 -0.39 0.00 1.61 2.81 -1.26 -5.02 117.12 114.86 3kra n MET 165 Ca 0.00 -2.43 0.00 0.00 -1.81 0.00 0.00 57.70 53.46 3kra n MET 165 Cb 0.18 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 3kra n MET 165 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kra n ALA 166 N -3.15 0.00 0.49 3.04 0.00 -1.26 -4.93 120.51 114.69 3kra n ALA 166 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 3kra n ALA 166 Cb 0.56 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.21 3kra n ALA 166 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kra n GLU 167 N 0.00 2.25 -1.59 0.00 1.02 -1.26 -4.95 120.64 116.11 3kra n GLU 167 Ca 0.00 -1.59 -0.42 0.00 -0.02 0.00 0.00 57.16 55.13 3kra n GLU 167 Cb 0.00 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 3kra n GLU 167 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3kra n VAL 168 N 0.66 0.29 -3.86 2.62 0.24 -1.26 -4.99 118.33 112.03 3kra n VAL 168 Ca 0.15 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.34 61.72 3kra n VAL 168 Cb 0.45 -2.58 -0.05 0.00 -1.47 0.00 0.00 33.84 30.19 3kra n VAL 168 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kra s GLY 169 N 8.77 2.24 0.30 7.63 0.00 -1.26 -4.92 107.32 120.08 3kra s GLY 169 Ca 1.01 -2.00 0.20 0.00 0.00 0.00 0.00 44.72 43.93 3kra s GLY 169 CO 0.34 -1.81 1.13 1.04 0.00 0.00 0.00 173.10 173.80 3kra n LEU 170 N -1.38 0.19 -0.12 0.66 4.77 -1.26 0.73 117.00 120.58 3kra n LEU 170 Ca 0.01 1.07 -0.09 0.00 -0.03 0.00 0.00 56.01 56.96 3kra n LEU 170 Cb 0.63 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3kra n LEU 170 CO 0.44 -1.17 0.68 0.44 -1.33 0.00 0.00 177.39 176.45 3kra h ASP 171 N 0.00 0.90 -0.13 -1.43 5.19 -1.98 0.41 116.42 119.37 3kra h ASP 171 Ca 0.62 -0.34 -0.05 0.00 -0.62 0.00 0.00 57.03 56.64 3kra h ASP 171 Cb 1.89 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 41.15 3kra h ASP 171 CO -0.41 1.09 -0.13 -0.74 -3.12 0.00 0.00 179.24 175.92 3kra h HIS 172 N 0.76 0.38 -0.42 4.55 2.76 -0.07 -1.64 115.15 121.47 3kra h HIS 172 Ca 0.10 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 3kra h HIS 172 Cb 0.77 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 3kra h HIS 172 CO 0.05 0.72 0.03 1.25 -1.30 0.00 0.00 177.93 178.67 3kra h LEU 173 N -0.07 0.61 -0.23 0.26 5.85 -1.39 -2.05 115.31 118.29 3kra h LEU 173 Ca 0.02 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 3kra h LEU 173 Cb 0.66 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3kra h LEU 173 CO 0.03 0.67 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.40 3kra h GLU 174 N 0.62 0.63 -0.22 1.25 4.81 -0.87 -2.24 114.58 118.56 3kra h GLU 174 Ca 0.13 -0.36 0.05 0.00 -0.13 0.00 0.00 59.36 59.04 3kra h GLU 174 Cb 0.35 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 3kra h GLU 174 CO 0.01 0.97 -0.06 0.35 -0.73 0.00 0.00 179.01 179.55 3kra h PHE 175 N 0.33 -0.13 0.84 0.92 3.04 -0.97 0.13 116.94 121.10 3kra h PHE 175 Ca 0.03 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 3kra h PHE 175 Cb 0.90 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.50 3kra h PHE 175 CO 0.08 -0.10 -0.43 0.82 -2.02 0.00 0.00 178.31 176.65 3kra h ILE 176 N -0.01 0.12 -0.79 1.41 5.03 -1.38 -0.97 117.51 120.91 3kra h ILE 176 Ca 0.11 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.85 3kra h ILE 176 Cb 0.17 0.12 -0.04 0.00 -3.03 0.00 0.00 36.82 34.04 3kra h ILE 176 CO -0.24 0.00 0.49 0.45 -0.68 0.00 0.00 178.15 178.18 3kra h HIS 177 N -1.17 1.03 -0.13 1.37 3.86 -1.34 0.61 115.15 119.37 3kra h HIS 177 Ca -0.11 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.03 3kra h HIS 177 Cb 0.91 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3kra h HIS 177 CO -0.04 0.67 -0.27 1.25 0.86 0.00 0.00 177.93 180.40 3kra h HIS 178 N 1.09 0.27 0.02 2.45 -0.00 -0.69 -1.57 115.15 116.73 3kra h HIS 178 Ca 0.29 -0.05 -0.21 0.00 -0.00 0.00 0.00 60.37 60.39 3kra h HIS 178 Cb -0.07 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 3kra h HIS 178 CO 0.00 0.50 -1.15 0.45 -0.00 0.00 0.00 177.93 177.73 3kra h HIS 179 N 0.22 0.08 -0.00 5.26 -0.00 -0.14 0.95 115.15 121.52 3kra h HIS 179 Ca 0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 3kra h HIS 179 Cb 0.61 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 3kra h HIS 179 CO 0.01 1.45 -0.01 0.36 -0.00 0.00 0.00 177.93 179.74 3kra n LYS 180 N -4.33 1.05 0.05 2.45 2.85 0.20 -2.95 118.16 117.49 3kra n LYS 180 Ca -0.28 -0.23 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 3kra n LYS 180 Cb 0.70 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 3kra n LYS 180 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3kra n THR 181 N -0.77 0.22 -0.14 0.58 -1.04 -0.69 -4.89 114.28 107.56 3kra n THR 181 Ca 0.21 0.07 -0.07 0.00 -2.04 0.00 0.00 64.05 62.22 3kra n THR 181 Cb 0.19 -0.89 0.09 0.00 -1.82 0.00 0.00 70.33 67.90 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 0.93 -0.36 2.41 0.00 -1.18 -3.16 119.26 117.91 3kra h ALA 182 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3kra h ALA 182 Cb 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3kra h ALA 182 CO 0.00 0.63 0.06 0.00 0.00 0.00 0.00 179.25 179.94 3kra h ALA 183 N 1.11 0.38 0.00 0.00 0.00 -0.89 0.41 119.26 120.26 3kra h ALA 183 Ca 0.14 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3kra h ALA 183 Cb 0.58 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kra h ALA 183 CO 0.04 -0.34 -0.35 1.25 0.00 0.00 0.00 179.25 179.85 3kra h LEU 184 N 0.18 0.00 -0.14 0.00 5.85 -1.69 -0.01 115.31 119.51 3kra h LEU 184 Ca 0.17 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 3kra h LEU 184 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3kra h LEU 184 CO -0.24 0.35 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.76 3kra h LEU 185 N 0.00 0.58 -0.23 2.25 3.38 -1.22 -0.02 115.31 120.06 3kra h LEU 185 Ca -0.00 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.41 3kra h LEU 185 Cb 0.76 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3kra h LEU 185 CO 0.05 1.06 0.01 -0.61 0.09 0.00 0.00 178.44 179.04 3kra h GLN 186 N 0.12 0.08 -1.00 1.13 4.15 -0.06 -1.77 115.11 117.76 3kra h GLN 186 Ca -0.01 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.48 3kra h GLN 186 Cb 1.00 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.60 3kra h GLN 186 CO 0.08 0.06 0.65 0.78 -1.93 0.00 0.00 178.83 178.46 3kra h GLY 187 N 0.09 1.55 0.95 2.39 0.00 -0.83 -1.29 103.07 105.93 3kra h GLY 187 Ca 0.11 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3kra h GLY 187 CO -0.17 0.30 0.23 1.76 0.00 0.00 0.00 176.54 178.66 3kra h SER 188 N 1.14 0.38 -0.40 0.19 0.02 -0.18 -0.82 113.55 113.88 3kra h SER 188 Ca 0.45 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.32 3kra h SER 188 Cb 0.23 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3kra h SER 188 CO -0.19 0.28 -0.04 0.58 -1.14 0.00 0.00 176.83 176.31 3kra h VAL 189 N 0.47 1.27 -0.48 2.27 2.07 -0.88 -3.00 116.25 117.96 3kra h VAL 189 Ca 0.14 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3kra h VAL 189 Cb -0.02 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3kra h VAL 189 CO -0.05 0.37 0.23 0.58 0.02 0.00 0.00 177.57 178.71 3kra h VAL 190 N 0.55 1.19 -0.72 2.57 2.07 -1.10 0.85 116.25 121.67 3kra h VAL 190 Ca 0.11 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3kra h VAL 190 Cb 0.54 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3kra h VAL 190 CO 0.03 0.21 0.46 -0.07 0.02 0.00 0.00 177.57 178.23 3kra h LEU 191 N 0.64 0.78 -0.27 2.57 3.38 -1.15 0.33 115.31 121.58 3kra h LEU 191 Ca 0.17 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3kra h LEU 191 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kra h LEU 191 CO -0.02 0.55 -0.01 1.23 0.09 0.00 0.00 178.44 180.28 3kra h GLY 192 N 0.92 0.52 1.01 0.83 0.00 -1.34 -0.21 103.07 104.80 3kra h GLY 192 Ca 0.28 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3kra h GLY 192 CO -0.09 0.36 0.33 0.00 0.00 0.00 0.00 176.54 177.13 3kra h ALA 193 N 0.82 0.90 -0.34 3.60 0.00 -0.57 0.19 119.26 123.85 3kra h ALA 193 Ca 0.08 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3kra h ALA 193 Cb 0.44 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kra h ALA 193 CO 0.02 0.46 -0.44 0.82 0.00 0.00 0.00 179.25 180.11 3kra h ILE 194 N 0.97 1.28 0.00 0.00 2.04 -0.89 0.11 117.51 121.02 3kra h ILE 194 Ca 0.24 -1.62 -0.08 0.00 1.00 0.00 0.00 64.86 64.40 3kra h ILE 194 Cb 0.13 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3kra h ILE 194 CO -0.03 0.53 -0.38 -0.07 0.00 0.00 0.00 178.15 178.20 3kra h LEU 195 N 0.69 0.00 0.00 1.44 3.38 -0.75 -2.25 115.31 117.82 3kra h LEU 195 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kra h LEU 195 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3kra h LEU 195 CO 0.10 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.63 3kra n GLY 196 N -0.14 -1.18 0.36 0.83 0.00 0.63 -4.87 105.19 100.82 3kra n GLY 196 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.71 0.89 3.75 -0.02 0.00 -0.85 -3.22 105.19 106.46 3kra n GLY 197 Ca 0.07 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.13 2.88 0.63 -0.02 0.00 0.37 -5.00 107.32 104.05 3kra s GLY 198 Ca 0.00 1.32 -0.12 0.00 0.00 0.00 0.00 44.72 45.91 3kra s GLY 198 CO 0.00 1.83 1.04 0.54 0.00 0.00 0.00 173.10 176.51 3kra s LYS 199 N -2.92 3.35 0.37 2.90 1.02 -1.26 -4.80 119.74 118.40 3kra s LYS 199 Ca 0.72 0.93 0.09 0.00 0.02 0.00 0.00 55.97 57.72 3kra s LYS 199 Cb -0.40 -2.05 0.82 0.00 -0.52 0.00 0.00 37.83 35.69 3kra s LYS 199 CO 0.47 -0.77 1.92 0.93 -0.92 0.00 0.00 175.35 176.97 3kra h GLU 200 N -0.19 0.66 -0.15 1.68 4.39 -1.99 0.52 114.58 119.49 3kra h GLU 200 Ca -0.45 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.13 3kra h GLU 200 Cb 1.20 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3kra h GLU 200 CO 0.59 0.44 -0.29 1.49 -1.16 0.00 0.00 179.01 180.08 3kra h GLU 201 N 0.68 0.29 -0.34 2.33 4.81 -1.99 -0.13 114.58 120.22 3kra h GLU 201 Ca 0.37 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 3kra h GLU 201 Cb 0.53 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3kra h GLU 201 CO -0.14 0.56 -0.26 0.93 -0.73 0.00 0.00 179.01 179.36 3kra h GLU 202 N 0.26 0.78 -0.39 1.92 5.08 -1.32 -1.61 114.58 119.29 3kra h GLU 202 Ca 0.04 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3kra h GLU 202 Cb 0.65 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3kra h GLU 202 CO 0.05 1.01 0.25 0.28 -1.00 0.00 0.00 179.01 179.60 3kra h VAL 203 N 0.56 1.11 -0.54 3.13 2.07 -0.77 -1.49 116.25 120.33 3kra h VAL 203 Ca 0.06 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3kra h VAL 203 Cb 0.83 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3kra h VAL 203 CO 0.07 0.11 0.30 0.00 0.02 0.00 0.00 177.57 178.07 3kra h ALA 204 N 1.13 0.70 -0.38 1.67 0.00 -0.90 0.20 119.26 121.68 3kra h ALA 204 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3kra h ALA 204 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kra h ALA 204 CO -0.03 -0.02 0.04 0.87 0.00 0.00 0.00 179.25 180.11 3kra h LYS 205 N 0.58 0.63 -0.39 0.00 1.79 -1.08 -1.97 116.57 116.14 3kra h LYS 205 Ca 0.23 -0.18 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 3kra h LYS 205 Cb 0.10 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3kra h LYS 205 CO -0.14 0.71 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.78 3kra h LEU 206 N 0.47 0.66 -0.15 2.94 3.38 -1.00 0.40 115.31 122.00 3kra h LEU 206 Ca 0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kra h LEU 206 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kra h LEU 206 CO 0.01 0.79 0.09 -0.09 0.09 0.00 0.00 178.44 179.33 3kra h ARG 207 N 0.62 0.20 -0.59 1.13 2.43 -0.30 -0.33 114.38 117.56 3kra h ARG 207 Ca 0.11 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3kra h ARG 207 Cb 0.52 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3kra h ARG 207 CO 0.03 0.18 0.16 -0.22 -1.51 0.00 0.00 179.97 178.61 3kra h LYS 208 N 0.17 0.93 -0.65 0.20 3.64 -1.17 -2.13 116.57 117.55 3kra h LYS 208 Ca 0.05 -0.21 0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3kra h LYS 208 Cb 0.02 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 31.64 3kra h LYS 208 CO -0.01 0.84 0.26 0.35 -2.27 0.00 0.00 179.45 178.62 3kra h PHE 209 N 0.84 0.45 -0.57 1.91 3.57 -0.57 -1.87 116.94 120.70 3kra h PHE 209 Ca 0.19 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 3kra h PHE 209 Cb 0.32 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3kra h PHE 209 CO 0.02 0.11 -0.08 0.00 -2.23 0.00 0.00 178.31 176.13 3kra h ALA 210 N 1.45 0.77 -0.72 2.41 0.00 -0.64 -1.86 119.26 120.68 3kra h ALA 210 Ca 0.34 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kra h ALA 210 Cb 0.43 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3kra h ALA 210 CO -0.32 0.67 0.44 -0.91 0.00 0.00 0.00 179.25 179.13 3kra h ASN 211 N 0.94 0.70 -0.38 0.00 -0.26 -0.98 0.33 115.58 115.93 3kra h ASN 211 Ca 0.15 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 3kra h ASN 211 Cb 0.65 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.76 3kra h ASN 211 CO 0.05 0.47 0.08 0.00 -1.06 0.00 0.00 177.43 176.97 3kra h ILE 213 N 0.48 0.00 0.60 0.00 3.07 -0.93 -2.18 117.51 118.55 3kra h ILE 213 Ca 0.12 -0.78 -0.03 0.00 1.55 0.00 0.00 64.86 65.72 3kra h ILE 213 Cb 0.34 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 3kra h ILE 213 CO 0.00 0.00 -0.32 1.23 -1.05 0.00 0.00 178.15 178.01 3kra h GLY 214 N 3.57 -0.96 0.94 0.16 0.00 0.24 0.97 103.07 107.98 3kra h GLY 214 Ca 0.00 0.37 0.12 0.00 0.00 0.00 0.00 47.33 47.82 3kra h GLY 214 CO 0.00 -0.34 0.42 -2.00 0.00 0.00 0.00 176.54 174.62 3kra h LEU 215 N -0.85 0.31 -0.47 3.11 5.85 -1.25 0.42 115.31 122.43 3kra h LEU 215 Ca -0.08 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 3kra h LEU 215 Cb 0.66 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 3kra h LEU 215 CO 0.11 0.17 -0.53 0.25 -0.34 0.00 0.00 178.44 178.10 3kra h LEU 216 N 0.33 0.72 0.00 2.25 5.85 -1.12 -0.90 115.31 122.45 3kra h LEU 216 Ca 0.29 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3kra h LEU 216 Cb 0.70 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3kra h LEU 216 CO -0.07 1.12 0.00 0.33 -0.34 0.00 0.00 178.44 179.47 3kra n PHE 217 N -3.98 0.00 0.06 1.25 7.35 0.33 -3.30 117.46 119.18 3kra n PHE 217 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 3kra n PHE 217 Cb 0.60 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.43 3kra n PHE 217 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3kra n GLN 218 N -0.48 0.00 -0.32 -4.13 1.13 -0.91 -4.53 117.38 108.14 3kra n GLN 218 Ca 0.00 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.19 3kra n GLN 218 Cb 0.00 -0.06 0.28 0.00 0.11 0.00 0.00 30.24 30.57 3kra n GLN 218 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3kra h VAL 219 N 0.00 0.12 -0.09 5.09 2.07 -1.18 1.37 116.25 123.62 3kra h VAL 219 Ca 0.00 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.36 3kra h VAL 219 Cb 0.00 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3kra h VAL 219 CO 0.00 0.01 -0.50 0.58 0.02 0.00 0.00 177.57 177.68 3kra h VAL 220 N 0.06 1.38 -0.08 2.57 2.07 -1.82 -3.09 116.25 117.33 3kra h VAL 220 Ca 0.57 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 66.27 3kra h VAL 220 Cb 1.16 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 3kra h VAL 220 CO -0.83 0.55 0.46 -0.78 0.02 0.00 0.00 177.57 176.99 3kra h ASP 221 N 0.08 0.00 -0.05 0.57 3.58 0.14 1.18 116.42 121.92 3kra h ASP 221 Ca -0.04 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.33 3kra h ASP 221 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 3kra h ASP 221 CO 0.10 0.00 -0.29 0.44 -2.88 0.00 0.00 179.24 176.61 3kra h ASP 222 N 0.00 0.34 0.00 2.28 3.32 0.12 3.18 116.42 125.66 3kra h ASP 222 Ca 0.04 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.41 3kra h ASP 222 Cb 0.97 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3kra h ASP 222 CO -0.00 0.96 0.00 -0.38 -1.72 0.00 0.00 179.24 178.10 3kra n ILE 223 N -4.46 0.44 0.00 0.35 5.41 0.40 0.56 119.36 122.05 3kra n ILE 223 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3kra n ILE 223 Cb 0.49 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 3kra n ILE 223 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3kra n LEU 224 N 0.41 0.00 -0.06 1.39 4.77 -0.52 -4.65 117.00 118.33 3kra n LEU 224 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3kra n LEU 224 Cb 0.30 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 3kra n LEU 224 CO 0.00 0.00 -0.93 -0.67 -1.33 0.00 0.00 177.39 174.46 3kra n ASP 225 N -0.13 2.14 -0.06 -1.43 2.03 1.05 -4.66 116.55 115.48 3kra n ASP 225 Ca 0.00 -0.02 -0.22 0.00 0.52 0.00 0.00 54.79 55.07 3kra n ASP 225 Cb 0.00 0.58 -0.12 0.00 -0.72 0.00 0.00 41.12 40.86 3kra n ASP 225 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3kra n VAL 226 N -2.56 1.63 0.00 5.18 0.24 0.19 -5.03 118.33 117.98 3kra n VAL 226 Ca -0.22 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3kra n VAL 226 Cb 0.88 -1.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 3kra n VAL 226 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3kra n THR 227 N -3.95 0.00 0.00 3.34 -2.24 -1.12 -5.06 114.28 105.25 3kra n THR 227 Ca -0.35 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3kra n THR 227 Cb 0.87 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3kra n THR 227 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kra n THR 246 N -0.29 0.00 -0.45 4.28 -1.04 -1.26 -3.32 114.28 112.21 3kra n THR 246 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 3kra n THR 246 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 3kra n THR 246 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3kra n THR 247 N 0.00 0.00 0.04 12.58 -2.24 -1.26 -4.77 114.28 118.63 3kra n THR 247 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 3kra n THR 247 Cb 0.00 -0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 67.83 3kra n THR 247 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3kra h TYR 248 N -2.28 0.56 0.00 4.78 0.05 -1.97 -2.91 116.97 115.20 3kra h TYR 248 Ca -0.10 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.27 3kra h TYR 248 Cb 0.34 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.06 3kra h TYR 248 CO 0.00 1.45 0.00 -2.30 -1.05 0.00 0.00 178.16 176.26 3kra n PRO 249 N -3.99 0.01 0.02 4.88 -0.02 -1.26 0.10 135.00 134.74 3kra n PRO 249 Ca -0.19 0.33 -0.06 0.00 -2.02 0.00 0.00 63.50 61.56 3kra n PRO 249 Cb 0.89 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.76 3kra n PRO 249 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kra h LYS 250 N 0.00 0.00 0.00 -0.52 3.64 -1.89 0.36 116.57 118.16 3kra h LYS 250 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kra h LYS 250 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3kra h LYS 250 CO 0.00 0.56 -1.05 1.28 -2.27 0.00 0.00 179.45 177.97 3kra n LEU 251 N -3.09 0.86 0.00 5.20 4.77 0.38 -4.70 117.00 120.42 3kra n LEU 251 Ca -0.11 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3kra n LEU 251 Cb 0.97 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 3kra n LEU 251 CO 0.45 0.21 0.00 2.30 -1.33 0.00 0.00 177.39 179.02 3kra n ILE 252 N -1.58 0.00 -0.80 -0.08 -5.35 0.29 -5.06 119.36 106.78 3kra n ILE 252 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3kra n ILE 252 Cb 0.35 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 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 0.00 -3.61 0.00 3.28 0.00 0.13 -3.83 105.19 101.16 3kra n GLY 253 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3kra n GLY 253 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kra n VAL 254 N -1.56 0.33 0.00 1.61 0.24 -1.26 -1.58 118.33 116.11 3kra n VAL 254 Ca 0.00 0.48 -0.00 0.00 -2.04 0.00 0.00 64.34 62.78 3kra n VAL 254 Cb 0.13 -1.48 -0.00 0.00 -1.47 0.00 0.00 33.84 31.02 3kra n VAL 254 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3kra h GLU 255 N 0.00 -0.00 -0.74 7.34 4.39 -1.94 -3.19 114.58 120.44 3kra h GLU 255 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 3kra h GLU 255 Cb 0.80 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.33 3kra h GLU 255 CO 0.00 -0.00 0.25 1.63 -1.16 0.00 0.00 179.01 179.73 3kra n LYS 256 N -2.05 3.90 -0.08 2.33 5.02 -0.61 -4.09 118.16 122.58 3kra n LYS 256 Ca -0.00 -3.11 -0.09 0.00 -2.02 0.00 0.00 58.31 53.09 3kra n LYS 256 Cb 0.00 -2.24 -0.04 0.00 -0.02 0.00 0.00 35.03 32.74 3kra n LYS 256 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3kra n SER 257 N -0.06 1.82 0.00 4.39 7.64 -0.98 -3.04 113.62 123.39 3kra n SER 257 Ca 0.40 0.58 0.04 0.00 1.01 0.00 0.00 58.87 60.91 3kra n SER 257 Cb 1.39 -0.88 0.21 0.00 -1.01 0.00 0.00 64.21 63.92 3kra n SER 257 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kra n LYS 258 N -4.57 0.08 -0.01 1.43 5.02 -1.20 -0.48 118.16 118.42 3kra n LYS 258 Ca -0.13 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 3kra n LYS 258 Cb 0.37 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.74 3kra n LYS 258 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3kra n GLU 259 N -1.37 0.66 -0.09 1.97 0.00 -1.25 -3.51 120.64 117.05 3kra n GLU 259 Ca 0.03 0.29 -0.13 0.00 0.00 0.00 0.00 57.16 57.36 3kra n GLU 259 Cb 0.08 -1.78 -0.04 0.00 0.00 0.00 0.00 31.44 29.70 3kra n GLU 259 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3kra h PHE 260 N 0.02 0.74 -0.50 4.31 3.57 -0.70 -2.62 116.94 121.77 3kra h PHE 260 Ca -0.31 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 60.93 3kra h PHE 260 Cb 2.02 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.57 3kra h PHE 260 CO 0.02 0.90 0.10 0.00 -2.23 0.00 0.00 178.31 177.10 3kra h ALA 261 N 0.72 1.24 -0.05 2.41 0.00 -1.65 -0.22 119.26 121.72 3kra h ALA 261 Ca 0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3kra h ALA 261 Cb 0.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kra h ALA 261 CO 0.05 0.52 -0.33 -0.44 0.00 0.00 0.00 179.25 179.05 3kra h ASP 262 N 0.74 0.09 0.92 0.00 3.32 -1.57 -0.61 116.42 119.31 3kra h ASP 262 Ca 0.16 -0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.96 3kra h ASP 262 Cb 0.30 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3kra h ASP 262 CO 0.00 0.42 -1.08 -0.09 -1.72 0.00 0.00 179.24 176.77 3kra h ARG 263 N 0.08 0.02 -0.24 3.56 2.43 -0.99 -2.70 114.38 116.54 3kra h ARG 263 Ca 0.01 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 3kra h ARG 263 Cb 0.63 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3kra h ARG 263 CO 0.05 0.98 -0.51 -0.07 -1.51 0.00 0.00 179.97 178.91 3kra h LEU 264 N 0.01 0.86 -0.24 3.80 3.38 -0.72 -1.33 115.31 121.06 3kra h LEU 264 Ca -0.04 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3kra h LEU 264 Cb 1.81 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 3kra h LEU 264 CO 0.13 1.25 0.08 -1.13 0.09 0.00 0.00 178.44 178.86 3kra h ASN 265 N 0.50 0.35 -0.38 -0.43 -1.24 -1.21 -0.57 115.58 112.61 3kra h ASN 265 Ca 0.00 -0.20 0.03 0.00 0.71 0.00 0.00 56.30 56.84 3kra h ASN 265 Cb 1.11 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 40.04 3kra h ASN 265 CO 0.11 0.46 0.18 0.03 -1.29 0.00 0.00 177.43 176.92 3kra h ARG 266 N 0.22 0.36 -0.03 6.67 3.08 -1.41 0.42 114.38 123.69 3kra h ARG 266 Ca 0.08 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3kra h ARG 266 Cb 0.23 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3kra h ARG 266 CO -0.00 0.24 -0.22 1.49 -1.07 0.00 0.00 179.97 180.40 3kra h GLU 267 N 0.37 0.05 0.26 0.04 4.81 -1.05 -0.50 114.58 118.56 3kra h GLU 267 Ca 0.16 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3kra h GLU 267 Cb 0.08 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3kra h GLU 267 CO -0.12 0.27 -0.13 0.00 -0.73 0.00 0.00 179.01 178.31 3kra h ALA 268 N 1.73 -0.35 0.00 2.92 0.00 -0.21 -2.71 119.26 120.64 3kra h ALA 268 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kra h ALA 268 Cb 0.42 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kra h ALA 268 CO 0.03 -0.54 -0.07 1.96 0.00 0.00 0.00 179.25 180.63 3kra h GLN 269 N -0.67 0.00 -0.44 0.00 4.20 -0.63 -1.33 115.11 116.25 3kra h GLN 269 Ca -0.04 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 3kra h GLN 269 Cb 0.47 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3kra h GLN 269 CO 0.06 0.07 -0.17 1.49 -0.67 0.00 0.00 178.83 179.62 3kra h GLU 270 N 0.00 0.84 -0.41 1.46 4.81 -0.91 -2.38 114.58 117.99 3kra h GLU 270 Ca -0.00 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.87 3kra h GLU 270 Cb 0.20 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3kra h GLU 270 CO 0.01 0.94 0.06 1.96 -0.73 0.00 0.00 179.01 181.26 3kra h GLN 271 N 0.74 0.62 0.00 1.92 1.08 -0.92 -2.48 115.11 116.07 3kra h GLN 271 Ca 0.11 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3kra h GLN 271 Cb 0.68 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3kra h GLN 271 CO 0.05 0.60 0.00 1.28 -0.95 0.00 0.00 178.83 179.81 3kra n LEU 272 N -4.29 0.00 0.01 1.46 4.77 -0.90 -2.53 117.00 115.51 3kra n LEU 272 Ca 0.02 0.41 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 3kra n LEU 272 Cb 0.22 -0.41 0.34 0.00 -2.33 0.00 0.00 43.42 41.24 3kra n LEU 272 CO 0.39 -0.19 0.76 0.18 -1.33 0.00 0.00 177.39 177.20 3kra n LEU 273 N -1.41 0.06 0.19 2.23 4.77 -0.93 -2.28 117.00 119.62 3kra n LEU 273 Ca 0.05 0.51 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 3kra n LEU 273 Cb 0.16 -0.50 0.37 0.00 -2.33 0.00 0.00 43.42 41.12 3kra n LEU 273 CO 0.14 -0.26 0.71 -0.74 -1.33 0.00 0.00 177.39 175.91 3kra h HIS 274 N 0.00 0.00 -2.13 -1.77 2.76 -1.69 -3.45 115.15 108.87 3kra h HIS 274 Ca 0.00 0.00 -0.47 0.00 -2.20 0.00 0.00 60.37 57.70 3kra h HIS 274 Cb 0.28 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 3kra h HIS 274 CO 0.00 0.38 -0.45 -0.06 -1.30 0.00 0.00 177.93 176.50 3kra s PHE 275 N -3.97 3.30 0.22 5.26 0.40 -0.97 -5.07 117.98 117.16 3kra s PHE 275 Ca -0.02 -0.08 -0.31 0.00 -0.60 0.00 0.00 56.93 55.93 3kra s PHE 275 Cb 0.13 -1.58 -0.10 0.00 0.51 0.00 0.00 43.02 41.97 3kra s PHE 275 CO 0.70 0.40 1.53 -1.58 0.70 0.00 0.00 175.22 176.97 3kra s HIS 276 N -2.06 2.98 0.56 0.36 5.65 -1.26 -4.85 115.29 116.67 3kra s HIS 276 Ca 0.35 0.79 0.26 0.00 0.25 0.00 0.00 55.06 56.71 3kra s HIS 276 Cb -0.09 -3.92 1.48 0.00 -1.18 0.00 0.00 32.58 28.87 3kra s HIS 276 CO 0.28 -3.21 2.03 -1.00 -0.65 0.00 0.00 174.74 172.18 3kra h PRO 277 N 5.79 0.00 -0.21 2.88 0.13 -1.93 -1.56 132.00 137.09 3kra h PRO 277 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 3kra h PRO 277 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kra h PRO 277 CO 0.84 0.00 -0.15 1.25 -0.23 0.00 0.00 178.00 179.71 3kra h HIS 278 N 0.00 0.57 -0.27 1.56 2.76 -2.00 -2.78 115.15 114.99 3kra h HIS 278 Ca 0.18 -0.15 -0.07 0.00 -2.20 0.00 0.00 60.37 58.12 3kra h HIS 278 Cb 0.80 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 3kra h HIS 278 CO 0.00 0.80 -0.15 0.00 -1.30 0.00 0.00 177.93 177.27 3kra h ARG 279 N 0.17 0.46 0.00 5.26 3.08 -1.74 -3.17 114.38 118.44 3kra h ARG 279 Ca 0.04 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3kra h ARG 279 Cb 0.67 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3kra h ARG 279 CO 0.04 0.61 0.00 0.00 -1.07 0.00 0.00 179.97 179.55 3kra n ALA 280 N -2.48 2.08 -0.26 0.04 0.00 -0.66 -4.29 120.51 114.93 3kra n ALA 280 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.43 3kra n ALA 280 Cb 0.34 -1.40 0.19 0.00 0.00 0.00 0.00 19.45 18.57 3kra n ALA 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kra h ALA 281 N 2.72 1.09 -0.37 0.00 0.00 -1.47 0.39 119.26 121.63 3kra h ALA 281 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kra h ALA 281 Cb 0.46 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kra h ALA 281 CO 0.00 -0.16 0.24 -1.35 0.00 0.00 0.00 179.25 177.97 3kra h PRO 282 N 0.50 0.47 -0.23 0.00 0.11 -1.85 -0.75 132.00 130.25 3kra h PRO 282 Ca 0.41 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.35 3kra h PRO 282 Cb 0.59 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3kra h PRO 282 CO -0.37 0.31 -0.46 -0.07 -0.21 0.00 0.00 178.00 177.20 3kra h LEU 283 N 0.48 0.64 -1.02 2.35 3.38 -1.69 0.83 115.31 120.28 3kra h LEU 283 Ca 0.14 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3kra h LEU 283 Cb -0.04 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3kra h LEU 283 CO -0.04 1.00 0.65 0.40 0.09 0.00 0.00 178.44 180.54 3kra h ILE 284 N 0.47 1.15 0.19 1.22 2.04 -0.75 -1.47 117.51 120.36 3kra h ILE 284 Ca 0.03 -0.42 -0.30 0.00 1.00 0.00 0.00 64.86 65.16 3kra h ILE 284 Cb 0.98 -0.20 0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3kra h ILE 284 CO 0.09 0.23 -1.35 0.00 0.00 0.00 0.00 178.15 177.11 3kra h ALA 285 N 1.43 -0.03 0.00 1.87 0.00 -0.82 -2.17 119.26 119.53 3kra h ALA 285 Ca 0.41 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kra h ALA 285 Cb 0.06 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kra h ALA 285 CO -0.14 0.83 0.00 1.25 0.00 0.00 0.00 179.25 181.19 3kra h LEU 286 N 0.12 0.00 0.00 0.00 5.85 0.94 -1.14 115.31 121.07 3kra h LEU 286 Ca -0.19 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.23 3kra h LEU 286 Cb 2.06 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.04 3kra h LEU 286 CO 0.24 0.00 -1.93 0.00 -0.34 0.00 0.00 178.44 176.41 3kra n ALA 287 N -1.88 1.59 0.07 1.25 0.00 -0.58 -2.83 120.51 118.13 3kra n ALA 287 Ca -0.01 -0.94 -0.06 0.00 0.00 0.00 0.00 53.44 52.43 3kra n ALA 287 Cb 0.09 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 3kra n ALA 287 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kra h ASN 288 N 0.00 0.00 0.00 0.00 2.35 -0.62 -2.69 115.58 114.63 3kra h ASN 288 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3kra h ASN 288 Cb 2.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.39 3kra h ASN 288 CO 0.05 0.93 0.00 0.00 -1.65 0.00 0.00 177.43 176.77 3kra n TYR 289 N -3.40 0.00 0.08 1.19 4.19 -0.53 -0.89 117.16 117.79 3kra n TYR 289 Ca -0.00 0.00 0.06 0.00 3.31 0.00 0.00 57.90 61.27 3kra n TYR 289 Cb 0.89 -0.32 0.09 0.00 0.49 0.00 0.00 39.34 40.49 3kra n TYR 289 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 3kra n ILE 290 N -1.47 0.00 0.00 2.97 5.41 -1.13 0.10 119.36 125.24 3kra n ILE 290 Ca 0.00 0.62 0.00 0.00 1.00 0.00 0.00 62.75 64.37 3kra n ILE 290 Cb 0.00 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 3kra n ILE 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kra n ALA 291 N -1.34 0.00 -1.26 -1.39 0.00 -1.01 -4.47 120.51 111.03 3kra n ALA 291 Ca 0.05 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 3kra n ALA 291 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 3kra n ALA 291 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kra n TYR 292 N -1.83 2.37 -4.21 0.00 0.53 0.28 -4.86 117.16 109.45 3kra n TYR 292 Ca 0.00 -2.50 -0.19 0.00 -1.02 0.00 0.00 57.90 54.19 3kra n TYR 292 Cb 0.00 -2.14 -0.12 0.00 -1.03 0.00 0.00 39.34 36.05 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 3.41 0.92 -0.02 -0.72 1.70 -1.01 -4.72 118.95 118.51 3kra s ARG 293 Ca 0.53 -1.08 0.17 0.00 -0.47 0.00 0.00 55.73 54.88 3kra s ARG 293 Cb 0.14 -0.91 0.52 0.00 -0.57 0.00 0.00 34.95 34.14 3kra s ARG 293 CO -0.02 0.19 1.44 -0.25 -1.08 0.00 0.00 175.30 175.58 3kra n ASP 294 N 0.97 3.65 0.00 -2.89 9.92 -1.26 -4.96 116.55 121.98 3kra n ASP 294 Ca -0.19 -2.08 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 3kra n ASP 294 Cb 0.55 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 3kra n ASP 294 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87