#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka n PRO 4 N 0.00 1.20 -2.24 -7.13 -0.02 -1.26 -4.94 135.00 120.62 3mka n PRO 4 Ca 0.00 -0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 60.48 3mka n PRO 4 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3mka n PRO 4 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3mka s TYR 5 N -2.24 2.72 0.06 6.00 1.51 -1.26 -5.06 117.35 119.09 3mka s TYR 5 Ca 0.33 1.54 0.06 0.00 -1.01 0.00 0.00 57.07 57.98 3mka s TYR 5 Cb 0.20 -3.35 -0.03 0.00 -0.11 0.00 0.00 41.96 38.68 3mka s TYR 5 CO 0.42 -1.61 -0.17 -0.06 -1.11 0.00 0.00 175.55 173.02 3mka s PHE 6 N -1.67 1.49 0.93 2.71 0.40 -1.26 -5.14 117.98 115.45 3mka s PHE 6 Ca 0.70 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.53 3mka s PHE 6 Cb -0.26 -0.86 0.15 0.00 0.51 0.00 0.00 43.02 42.56 3mka s PHE 6 CO 0.31 0.09 1.13 0.96 0.70 0.00 0.00 175.22 178.41 3mka s ILE 7 N -1.00 2.19 -0.16 0.64 -4.36 -1.26 -4.92 121.20 112.32 3mka s ILE 7 Ca 0.03 0.06 -0.26 0.00 -0.26 0.00 0.00 60.65 60.22 3mka s ILE 7 Cb -0.09 -2.14 -0.01 0.00 1.25 0.00 0.00 42.46 41.47 3mka s ILE 7 CO 0.02 -0.08 0.88 -0.55 0.24 0.00 0.00 174.94 175.45 3mka s SER 8 N -2.74 7.02 0.15 4.36 0.15 -1.26 -4.93 113.70 116.45 3mka s SER 8 Ca 0.66 1.25 -0.14 0.00 0.70 0.00 0.00 55.95 58.43 3mka s SER 8 Cb -0.22 -2.48 0.03 0.00 -1.71 0.00 0.00 66.02 61.63 3mka s SER 8 CO 0.59 -0.43 1.66 1.55 1.20 0.00 0.00 173.24 177.81 3mka h PRO 9 N 7.30 0.78 -0.59 5.44 0.13 -2.00 -2.41 132.00 140.65 3mka h PRO 9 Ca -0.29 -0.18 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 3mka h PRO 9 Cb 1.13 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 3mka h PRO 9 CO 0.85 0.74 0.07 1.49 -0.23 0.00 0.00 178.00 180.92 3mka h GLU 10 N 0.67 0.99 0.00 0.86 4.81 -2.00 -0.82 114.58 119.09 3mka h GLU 10 Ca 0.16 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3mka h GLU 10 Cb 0.30 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3mka h GLU 10 CO -0.00 0.95 -0.07 -0.56 -0.73 0.00 0.00 179.01 178.60 3mka h GLN 11 N 0.89 0.00 0.00 1.92 3.07 -1.95 -2.53 115.11 116.51 3mka h GLN 11 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.87 3mka h GLN 11 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.01 3mka h GLN 11 CO 0.02 0.07 -0.27 0.00 0.09 0.00 0.00 178.83 178.73 3mka h ALA 12 N 1.93 0.05 -0.32 0.06 0.00 -1.15 -3.14 119.26 116.70 3mka h ALA 12 Ca -0.00 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.30 3mka h ALA 12 Cb 0.58 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3mka h ALA 12 CO 0.01 0.15 -0.39 1.98 0.00 0.00 0.00 179.25 181.00 3mka h MET 13 N -0.98 -0.25 -0.52 0.00 1.85 -1.02 -0.84 114.93 113.17 3mka h MET 13 Ca -0.07 0.02 0.11 0.00 -0.61 0.00 0.00 59.70 59.14 3mka h MET 13 Cb 1.08 0.06 -0.09 0.00 0.43 0.00 0.00 31.60 33.07 3mka h MET 13 CO -0.03 -0.16 -0.08 -0.09 -0.40 0.00 0.00 176.91 176.14 3mka h ARG 14 N -0.25 0.04 -0.55 0.39 2.43 -1.62 0.24 114.38 115.05 3mka h ARG 14 Ca 0.06 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3mka h ARG 14 Cb 0.40 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3mka h ARG 14 CO -0.43 0.03 -0.08 0.93 -1.51 0.00 0.00 179.97 178.90 3mka h GLU 15 N 0.04 1.03 0.05 0.20 5.08 -1.42 -1.48 114.58 118.07 3mka h GLU 15 Ca 0.26 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3mka h GLU 15 Cb 0.40 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3mka h GLU 15 CO -0.50 1.06 -0.02 0.00 -1.00 0.00 0.00 179.01 178.54 3mka h ARG 16 N 0.91 -0.06 -0.74 2.33 3.08 -0.70 -0.07 114.38 119.13 3mka h ARG 16 Ca 0.15 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.36 3mka h ARG 16 Cb 0.65 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.60 3mka h ARG 16 CO 0.04 0.23 0.19 1.03 -1.07 0.00 0.00 179.97 180.39 3mka h SER 17 N -0.36 0.03 0.33 7.04 0.87 -0.47 0.71 113.55 121.70 3mka h SER 17 Ca -0.01 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3mka h SER 17 Cb 0.32 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3mka h SER 17 CO 0.01 -0.03 -0.16 -0.33 -0.53 0.00 0.00 176.83 175.79 3mka h GLU 18 N 0.28 -0.43 -0.82 2.24 4.39 -1.05 -0.54 114.58 118.65 3mka h GLU 18 Ca 0.42 0.03 0.20 0.00 0.34 0.00 0.00 59.36 60.35 3mka h GLU 18 Cb 0.71 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.31 3mka h GLU 18 CO -0.50 -0.12 0.07 1.25 -1.16 0.00 0.00 179.01 178.55 3mka h LEU 19 N -0.77 -0.28 0.89 1.33 6.46 -0.42 0.05 115.31 122.58 3mka h LEU 19 Ca -0.05 0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 3mka h LEU 19 Cb 0.51 0.34 0.01 0.00 -0.73 0.00 0.00 40.66 40.79 3mka h LEU 19 CO 0.07 -0.19 -0.43 0.00 -0.62 0.00 0.00 178.44 177.27 3mka h ALA 20 N 1.76 -1.21 -0.92 1.25 0.00 -0.70 -2.59 119.26 116.86 3mka h ALA 20 Ca 0.47 -0.26 0.26 0.00 0.00 0.00 0.00 54.91 55.38 3mka h ALA 20 Cb 0.89 0.46 -0.15 0.00 0.00 0.00 0.00 17.79 18.99 3mka h ALA 20 CO -0.70 -1.12 0.29 -0.09 0.00 0.00 0.00 179.25 177.63 3mka h ARG 21 N -1.31 0.20 -0.24 0.00 2.43 0.23 -1.05 114.38 114.63 3mka h ARG 21 Ca -0.12 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 3mka h ARG 21 Cb 0.92 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3mka h ARG 21 CO 0.20 0.13 -0.02 0.87 -1.51 0.00 0.00 179.97 179.64 3mka h LYS 22 N 0.20 0.44 -0.32 0.20 1.57 -0.96 -0.89 116.57 116.81 3mka h LYS 22 Ca 0.60 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 59.28 3mka h LYS 22 Cb 1.28 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 3mka h LYS 22 CO -0.67 0.64 0.03 0.78 -0.57 0.00 0.00 179.45 179.65 3mka h GLY 23 N 0.20 0.34 0.71 3.86 0.00 -0.81 0.38 103.07 107.74 3mka h GLY 23 Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 3mka h GLY 23 CO 0.02 -0.04 -0.36 -2.22 0.00 0.00 0.00 176.54 173.93 3mka h ILE 24 N 0.13 0.00 -1.62 2.60 2.04 -1.28 -2.24 117.51 117.14 3mka h ILE 24 Ca 0.15 0.00 0.49 0.00 1.00 0.00 0.00 64.86 66.50 3mka h ILE 24 Cb 0.19 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.17 3mka h ILE 24 CO -0.23 0.00 1.12 0.00 0.00 0.00 0.00 178.15 179.05 3mka h ALA 25 N -1.48 3.33 -0.03 1.87 0.00 -1.02 0.35 119.26 122.27 3mka h ALA 25 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3mka h ALA 25 Cb 0.76 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3mka h ALA 25 CO 0.14 -1.89 0.00 -2.13 0.00 0.00 0.00 179.25 175.37 3mka n ARG 26 N -4.27 1.41 -3.67 0.00 0.63 0.11 -3.67 116.66 107.20 3mka n ARG 26 Ca 0.39 -0.60 -0.21 0.00 -0.92 0.00 0.00 57.85 56.51 3mka n ARG 26 Cb 1.69 -1.45 -0.03 0.00 0.45 0.00 0.00 32.46 33.12 3mka n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mka s ALA 27 N -1.96 3.97 0.98 5.13 0.00 0.12 -4.91 121.76 125.08 3mka s ALA 27 Ca 0.39 -1.71 -0.12 0.00 0.00 0.00 0.00 51.96 50.51 3mka s ALA 27 Cb 0.20 -1.18 0.10 0.00 0.00 0.00 0.00 23.12 22.24 3mka s ALA 27 CO 0.32 -0.08 0.65 1.63 0.00 0.00 0.00 175.76 178.28 3mka n LYS 28 N -1.47 -0.67 -4.21 0.00 4.01 -1.26 -0.77 118.16 113.79 3mka n LYS 28 Ca 0.00 -0.15 -0.26 0.00 -0.51 0.00 0.00 58.31 57.40 3mka n LYS 28 Cb 0.60 -2.03 -0.07 0.00 -0.51 0.00 0.00 35.03 33.01 3mka n LYS 28 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3mka s SER 29 N -2.23 4.77 0.00 4.39 0.01 -1.26 -3.79 113.70 115.59 3mka s SER 29 Ca 0.61 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.45 3mka s SER 29 Cb -0.21 -1.01 -0.01 0.00 0.21 0.00 0.00 66.02 65.01 3mka s SER 29 CO 0.64 0.07 -0.03 -0.69 0.41 0.00 0.00 173.24 173.64 3mka s VAL 30 N -1.84 0.25 0.03 3.43 1.01 0.62 -1.65 120.40 122.24 3mka s VAL 30 Ca 0.28 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.04 3mka s VAL 30 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3mka s VAL 30 CO 0.19 -0.02 -0.14 0.68 0.00 0.00 0.00 175.10 175.81 3mka s VAL 31 N -0.29 1.09 -0.05 2.92 -7.23 0.14 -1.63 120.40 115.35 3mka s VAL 31 Ca -0.01 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3mka s VAL 31 Cb -0.03 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.97 3mka s VAL 31 CO -0.00 0.08 -0.02 0.00 -0.31 0.00 0.00 175.10 174.85 3mka s ALA 32 N -0.72 0.59 0.01 1.32 0.00 -0.09 -0.90 121.76 121.98 3mka s ALA 32 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 3mka s ALA 32 Cb -0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3mka s ALA 32 CO 0.01 -0.15 -0.02 -0.48 0.00 0.00 0.00 175.76 175.12 3mka s LEU 33 N 1.23 2.13 0.45 0.00 0.05 -0.64 0.46 118.68 122.35 3mka s LEU 33 Ca -0.06 -0.28 -0.23 0.00 0.05 0.00 0.00 54.13 53.61 3mka s LEU 33 Cb -0.14 0.06 -0.08 0.00 -2.05 0.00 0.00 46.19 43.98 3mka s LEU 33 CO -0.02 -0.17 1.11 0.00 -0.55 0.00 0.00 176.35 176.73 3mka s ALA 34 N -0.81 2.99 0.29 1.48 0.00 0.17 -1.50 121.76 124.38 3mka s ALA 34 Ca -0.09 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 3mka s ALA 34 Cb -0.06 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3mka s ALA 34 CO -0.01 -0.48 0.64 1.52 0.00 0.00 0.00 175.76 177.43 3mka s TYR 35 N -1.63 0.14 0.26 0.00 -0.85 0.19 -4.61 117.35 110.85 3mka s TYR 35 Ca 0.62 -0.59 -0.05 0.00 -0.52 0.00 0.00 57.07 56.53 3mka s TYR 35 Cb -0.25 0.51 0.32 0.00 0.38 0.00 0.00 41.96 42.91 3mka s TYR 35 CO 0.31 -1.22 1.92 0.00 -1.52 0.00 0.00 175.55 175.04 3mka h ALA 36 N 2.09 1.32 0.00 9.51 0.00 -1.74 0.12 119.26 130.56 3mka h ALA 36 Ca -0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3mka h ALA 36 Cb 1.25 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3mka h ALA 36 CO 0.31 0.60 -0.05 0.78 0.00 0.00 0.00 179.25 180.90 3mka h GLY 37 N 1.30 0.00 0.00 0.00 0.00 -1.93 -3.48 103.07 98.96 3mka h GLY 37 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3mka h GLY 37 CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.05 3mka n GLY 38 N -0.68 0.91 3.21 4.60 0.00 0.42 -2.87 105.19 110.78 3mka n GLY 38 Ca -0.02 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 3mka n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mka s VAL 39 N 0.00 1.94 -0.09 1.61 1.01 -1.12 0.56 120.40 124.31 3mka s VAL 39 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 3mka s VAL 39 Cb 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3mka s VAL 39 CO 0.00 0.54 -0.05 -0.22 0.00 0.00 0.00 175.10 175.37 3mka s LEU 40 N 0.19 3.28 -0.19 3.92 2.96 -0.56 -1.08 118.68 127.19 3mka s LEU 40 Ca -0.13 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3mka s LEU 40 Cb -0.16 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.82 3mka s LEU 40 CO 0.06 0.33 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.89 3mka s PHE 41 N -0.63 2.86 -0.05 5.38 0.08 -0.00 -1.61 117.98 124.01 3mka s PHE 41 Ca 0.10 -1.74 0.02 0.00 0.12 0.00 0.00 56.93 55.42 3mka s PHE 41 Cb -0.12 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3mka s PHE 41 CO 0.02 -0.82 -0.10 0.08 -0.10 0.00 0.00 175.22 174.31 3mka s VAL 42 N 1.26 0.91 0.00 -0.44 1.01 -0.07 -1.98 120.40 121.09 3mka s VAL 42 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3mka s VAL 42 Cb -0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3mka s VAL 42 CO -0.11 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.29 3mka s ALA 43 N 0.65 0.01 -0.22 5.51 0.00 -0.58 0.24 121.76 127.37 3mka s ALA 43 Ca -0.12 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 3mka s ALA 43 Cb -0.14 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3mka s ALA 43 CO 0.02 -0.07 1.04 -1.83 0.00 0.00 0.00 175.76 174.92 3mka s GLU 44 N -0.59 4.27 -0.24 0.00 -1.05 -0.66 -1.05 118.70 119.38 3mka s GLU 44 Ca -0.06 1.37 -0.02 0.00 -0.15 0.00 0.00 54.97 56.10 3mka s GLU 44 Cb -0.04 -3.64 0.12 0.00 -0.44 0.00 0.00 34.13 30.14 3mka s GLU 44 CO -0.00 -0.61 0.32 1.21 0.95 0.00 0.00 175.26 177.12 3mka s ASN 45 N 1.20 0.85 0.14 0.83 3.84 -0.74 -4.50 114.94 116.57 3mka s ASN 45 Ca 0.44 -0.13 -0.13 0.00 0.21 0.00 0.00 52.86 53.26 3mka s ASN 45 Cb -0.15 0.78 0.02 0.00 -0.55 0.00 0.00 41.25 41.34 3mka s ASN 45 CO 0.07 -0.33 1.62 -0.65 -2.79 0.00 0.00 177.10 175.02 3mka h PRO 46 N 8.24 0.80 -7.15 0.43 0.11 -1.79 -3.35 132.00 129.29 3mka h PRO 46 Ca -0.17 -0.22 -0.51 0.00 0.11 0.00 0.00 66.00 65.21 3mka h PRO 46 Cb 1.14 -0.09 0.10 0.00 0.11 0.00 0.00 31.00 32.26 3mka h PRO 46 CO 0.29 0.82 0.41 0.45 -0.21 0.00 0.00 178.00 179.75 3mka s SER 47 N -6.22 5.20 -0.01 -2.05 0.15 -1.26 -4.88 113.70 104.63 3mka s SER 47 Ca -0.13 2.15 0.16 0.00 0.70 0.00 0.00 55.95 58.83 3mka s SER 47 Cb 0.11 -2.57 -0.19 0.00 -1.71 0.00 0.00 66.02 61.66 3mka s SER 47 CO 0.80 -1.57 0.59 -1.14 1.20 0.00 0.00 173.24 173.11 3mka n ARG 48 N -2.00 1.50 -0.03 5.44 0.63 -1.26 -4.54 116.66 116.40 3mka n ARG 48 Ca 0.12 -0.04 0.06 0.00 -0.92 0.00 0.00 57.85 57.07 3mka n ARG 48 Cb 0.51 -1.27 -0.16 0.00 0.45 0.00 0.00 32.46 31.99 3mka n ARG 48 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3mka n SER 49 N -1.54 0.32 -4.40 6.15 7.64 -1.26 -4.91 113.62 115.62 3mka n SER 49 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.48 3mka n SER 49 Cb 0.29 1.72 -0.11 0.00 -1.01 0.00 0.00 64.21 65.10 3mka n SER 49 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mka s LEU 50 N -4.64 4.82 0.53 -3.43 1.43 -1.26 -5.08 118.68 111.04 3mka s LEU 50 Ca -0.08 -0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 51.89 3mka s LEU 50 Cb 0.11 -2.06 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 3mka s LEU 50 CO 0.83 -0.40 1.00 0.00 0.23 0.00 0.00 176.35 178.01 3mka s GLN 51 N 1.59 3.83 0.00 1.70 -2.07 -1.26 -4.87 119.66 118.58 3mka s GLN 51 Ca 0.03 1.02 0.00 0.00 -1.82 0.00 0.00 55.36 54.59 3mka s GLN 51 Cb -0.19 -2.12 0.00 0.00 -1.09 0.00 0.00 33.01 29.61 3mka s GLN 51 CO 0.08 -0.37 0.05 1.63 -1.32 0.00 0.00 175.29 175.36 3mka n LYS 52 N -1.61 1.84 -4.47 9.60 5.02 -1.26 -5.01 118.16 122.27 3mka n LYS 52 Ca 0.07 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.05 3mka n LYS 52 Cb 0.54 -0.32 -0.17 0.00 -0.02 0.00 0.00 35.03 35.06 3mka n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mka s ILE 53 N -0.28 1.19 0.16 -0.18 1.01 -1.26 -1.04 121.20 120.80 3mka s ILE 53 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 3mka s ILE 53 Cb 0.00 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 3mka s ILE 53 CO 0.00 0.37 0.21 -0.44 0.00 0.00 0.00 174.94 175.09 3mka s SER 54 N 0.88 0.12 0.08 3.58 0.01 0.14 -5.01 113.70 113.51 3mka s SER 54 Ca -0.10 -0.99 -0.22 0.00 1.31 0.00 0.00 55.95 55.94 3mka s SER 54 Cb -0.15 0.39 -0.07 0.00 0.21 0.00 0.00 66.02 66.41 3mka s SER 54 CO 0.01 -0.85 0.67 -0.70 0.41 0.00 0.00 173.24 172.79 3mka s GLU 55 N -4.00 4.39 -0.19 12.44 2.12 -1.26 -0.14 118.70 132.06 3mka s GLU 55 Ca 0.20 0.92 -0.12 0.00 0.36 0.00 0.00 54.97 56.33 3mka s GLU 55 Cb 0.05 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 31.07 3mka s GLU 55 CO 0.01 0.51 -0.28 1.28 -0.54 0.00 0.00 175.26 176.24 3mka n LEU 56 N 2.04 1.61 0.00 2.70 4.77 0.15 -4.84 117.00 123.43 3mka n LEU 56 Ca -0.07 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 3mka n LEU 56 Cb 0.50 -0.64 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3mka n LEU 56 CO 0.44 0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.68 3mka n TYR 57 N -4.07 -0.21 -0.26 -1.77 9.36 -0.87 -4.73 117.16 114.61 3mka n TYR 57 Ca -0.32 -0.08 -0.12 0.00 3.32 0.00 0.00 57.90 60.70 3mka n TYR 57 Cb 0.67 0.01 -0.09 0.00 -0.63 0.00 0.00 39.34 39.30 3mka n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3mka h ASP 58 N 0.06 -1.91 -0.19 2.98 3.32 -1.95 -2.92 116.42 115.80 3mka h ASP 58 Ca -0.01 0.27 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3mka h ASP 58 Cb 0.04 0.82 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 3mka h ASP 58 CO 0.01 -0.30 -0.11 0.54 -1.72 0.00 0.00 179.24 177.66 3mka n ARG 59 N -5.19 1.96 -3.98 3.56 5.12 -1.26 -0.84 116.66 116.04 3mka n ARG 59 Ca -0.01 -2.97 -0.28 0.00 -1.93 0.00 0.00 57.85 52.67 3mka n ARG 59 Cb 0.29 -1.72 -0.17 0.00 -1.16 0.00 0.00 32.46 29.70 3mka n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3mka s VAL 60 N -3.04 1.20 0.28 1.55 1.01 -1.11 -1.92 120.40 118.37 3mka s VAL 60 Ca 0.40 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3mka s VAL 60 Cb 0.35 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3mka s VAL 60 CO 0.02 0.40 0.10 -0.83 0.00 0.00 0.00 175.10 174.78 3mka s GLY 61 N 1.58 1.65 -0.02 4.51 0.00 0.26 -0.67 107.32 114.62 3mka s GLY 61 Ca 0.04 -1.62 0.03 0.00 0.00 0.00 0.00 44.72 43.16 3mka s GLY 61 CO -0.08 -1.65 -0.09 -0.12 0.00 0.00 0.00 173.10 171.16 3mka s PHE 62 N -2.29 0.90 -0.04 1.90 5.36 0.80 -0.83 117.98 123.78 3mka s PHE 62 Ca 0.34 -0.21 -0.03 0.00 -0.96 0.00 0.00 56.93 56.07 3mka s PHE 62 Cb -0.06 -0.63 0.02 0.00 -0.34 0.00 0.00 43.02 42.01 3mka s PHE 62 CO 0.22 -0.08 0.09 0.00 -1.46 0.00 0.00 175.22 173.99 3mka s ALA 63 N 0.09 -0.18 0.08 11.12 0.00 -0.19 0.28 121.76 132.96 3mka s ALA 63 Ca -0.01 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 3mka s ALA 63 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3mka s ALA 63 CO 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 175.76 175.79 3mka s ALA 64 N 0.34 0.18 -0.00 0.00 0.00 -0.20 -0.04 121.76 122.03 3mka s ALA 64 Ca -0.02 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3mka s ALA 64 Cb -0.04 0.44 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 3mka s ALA 64 CO -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 175.76 175.25 3mka s ALA 65 N -3.90 0.34 0.00 0.00 0.00 -0.36 -4.85 121.76 112.98 3mka s ALA 65 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3mka s ALA 65 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3mka s ALA 65 CO -0.09 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3mka n GLY 66 N 3.04 0.71 3.68 0.00 0.00 -1.26 -0.75 105.19 110.60 3mka n GLY 66 Ca -0.13 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 3mka n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mka s LYS 67 N -2.00 4.34 0.05 1.61 2.20 0.00 -4.91 119.74 121.03 3mka s LYS 67 Ca 0.00 1.51 -0.21 0.00 -0.36 0.00 0.00 55.97 56.91 3mka s LYS 67 Cb 0.00 -3.60 -0.10 0.00 -1.51 0.00 0.00 37.83 32.63 3mka s LYS 67 CO 0.00 -0.48 1.33 0.35 -0.36 0.00 0.00 175.35 176.19 3mka h PHE 68 N 7.44 -0.87 -1.25 4.03 3.57 -1.96 -1.29 116.94 126.61 3mka h PHE 68 Ca -0.29 0.01 0.36 0.00 3.53 0.00 0.00 57.97 61.59 3mka h PHE 68 Cb 1.13 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 40.15 3mka h PHE 68 CO 0.74 -0.38 0.87 -2.95 -2.23 0.00 0.00 178.31 174.36 3mka h ASN 69 N -0.53 0.13 0.63 0.41 7.08 -1.99 0.25 115.58 121.57 3mka h ASN 69 Ca -0.02 0.04 -0.24 0.00 -3.08 0.00 0.00 56.30 52.99 3mka h ASN 69 Cb 0.49 0.02 -0.00 0.00 -2.08 0.00 0.00 38.32 36.74 3mka h ASN 69 CO -0.09 -0.00 -1.10 -0.33 -2.08 0.00 0.00 177.43 173.82 3mka h GLU 70 N 0.10 0.24 0.00 4.14 5.08 -1.80 -2.96 114.58 119.38 3mka h GLU 70 Ca 0.64 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3mka h GLU 70 Cb 2.28 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.65 3mka h GLU 70 CO -0.12 1.13 -0.98 1.97 -1.00 0.00 0.00 179.01 180.01 3mka n PHE 71 N -3.56 0.31 -0.12 4.33 1.16 0.57 -3.03 117.46 117.12 3mka n PHE 71 Ca -0.06 0.09 -0.13 0.00 -1.87 0.00 0.00 57.45 55.48 3mka n PHE 71 Cb 0.95 -0.47 -0.03 0.00 -1.61 0.00 0.00 39.48 38.32 3mka n PHE 71 CO 0.00 0.00 0.00 0.22 -1.87 0.00 0.00 176.76 175.11 3mka h ASP 72 N 0.00 0.88 -0.57 5.98 3.58 -0.78 -1.38 116.42 124.13 3mka h ASP 72 Ca 0.00 -0.44 0.10 0.00 0.42 0.00 0.00 57.03 57.10 3mka h ASP 72 Cb 0.73 -0.25 -0.08 0.00 1.72 0.00 0.00 39.33 41.46 3mka h ASP 72 CO 0.00 1.14 0.15 -1.13 -2.88 0.00 0.00 179.24 176.52 3mka h ASN 73 N 0.63 0.08 1.11 2.28 -0.73 -1.57 -0.86 115.58 116.52 3mka h ASN 73 Ca 0.07 0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.29 3mka h ASN 73 Cb 0.85 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.55 3mka h ASN 73 CO 0.07 0.06 -0.19 -0.07 -0.37 0.00 0.00 177.43 176.93 3mka h LEU 74 N 0.30 0.00 0.04 0.34 4.07 -1.42 -2.57 115.31 116.07 3mka h LEU 74 Ca 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.25 3mka h LEU 74 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3mka h LEU 74 CO -0.34 0.19 -0.02 -0.09 -1.08 0.00 0.00 178.44 177.10 3mka h ARG 75 N 0.00 -0.05 -0.29 1.13 2.43 -0.07 -2.64 114.38 114.90 3mka h ARG 75 Ca -0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3mka h ARG 75 Cb 0.79 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 3mka h ARG 75 CO 0.02 0.53 -0.05 0.00 -1.51 0.00 0.00 179.97 178.97 3mka h ARG 76 N -0.67 0.03 0.00 0.20 3.08 -1.20 -1.26 114.38 114.57 3mka h ARG 76 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3mka h ARG 76 Cb 0.60 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3mka h ARG 76 CO 0.01 0.02 -0.06 0.78 -1.07 0.00 0.00 179.97 179.64 3mka h GLY 77 N 0.03 0.00 1.78 0.04 0.00 -1.52 -0.42 103.07 102.98 3mka h GLY 77 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.22 3mka h GLY 77 CO -0.28 0.00 -1.14 -1.33 0.00 0.00 0.00 176.54 173.79 3mka h GLY 78 N 1.12 0.16 1.25 4.60 0.00 -0.89 -1.44 103.07 107.86 3mka h GLY 78 Ca -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3mka h GLY 78 CO 0.01 0.36 -0.13 -2.22 0.00 0.00 0.00 176.54 174.57 3mka h ILE 79 N 0.04 1.26 -0.50 2.60 2.04 -0.50 -0.31 117.51 122.14 3mka h ILE 79 Ca -0.08 -1.23 -0.11 0.00 1.00 0.00 0.00 64.86 64.44 3mka h ILE 79 Cb 1.88 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 3mka h ILE 79 CO 0.17 0.43 -0.12 1.56 0.00 0.00 0.00 178.15 180.18 3mka h GLN 80 N 0.78 0.96 -0.48 2.37 4.20 -1.00 -1.84 115.11 120.10 3mka h GLN 80 Ca 0.12 -0.37 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 3mka h GLN 80 Cb 0.64 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3mka h GLN 80 CO 0.04 1.03 -0.04 0.35 -0.67 0.00 0.00 178.83 179.55 3mka h PHE 81 N 0.82 0.96 0.15 2.96 3.57 -1.06 -2.21 116.94 122.13 3mka h PHE 81 Ca 0.13 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 3mka h PHE 81 Cb 0.68 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3mka h PHE 81 CO 0.05 0.92 -0.07 0.00 -2.23 0.00 0.00 178.31 176.97 3mka h ALA 82 N 0.91 -0.21 -0.38 2.41 0.00 -0.95 -1.81 119.26 119.24 3mka h ALA 82 Ca 0.13 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3mka h ALA 82 Cb 0.56 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3mka h ALA 82 CO 0.03 -0.44 -0.07 -0.44 0.00 0.00 0.00 179.25 178.33 3mka h ASP 83 N -0.55 -0.30 -0.65 0.00 3.32 -1.39 0.16 116.42 117.01 3mka h ASP 83 Ca -0.02 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3mka h ASP 83 Cb 0.42 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3mka h ASP 83 CO 0.03 -0.10 0.40 0.74 -1.72 0.00 0.00 179.24 178.59 3mka h THR 84 N 0.03 1.19 0.00 0.35 2.02 -1.37 -0.63 112.91 114.49 3mka h THR 84 Ca 0.18 -0.41 -0.19 0.00 0.77 0.00 0.00 66.41 66.76 3mka h THR 84 Cb 0.27 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3mka h THR 84 CO -0.37 0.19 -0.91 0.03 0.37 0.00 0.00 175.52 174.83 3mka h ARG 85 N 0.91 0.01 0.00 6.66 2.47 -0.41 -2.15 114.38 121.86 3mka h ARG 85 Ca 0.24 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.87 3mka h ARG 85 Cb -0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 3mka h ARG 85 CO -0.04 0.92 -0.37 0.78 0.56 0.00 0.00 179.97 181.81 3mka h GLY 86 N 2.69 0.00 0.74 0.04 0.00 -0.05 -2.25 103.07 104.24 3mka h GLY 86 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.11 3mka h GLY 86 CO 0.12 0.00 -0.94 -1.82 0.00 0.00 0.00 176.54 173.90 3mka h TYR 87 N 0.00 0.59 0.00 5.60 3.20 -1.05 -3.19 116.97 122.12 3mka h TYR 87 Ca -0.00 -0.43 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 3mka h TYR 87 Cb 0.80 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 3mka h TYR 87 CO 0.00 1.36 -0.11 0.00 -1.64 0.00 0.00 178.16 177.77 3mka h ALA 88 N 0.08 1.05 -3.00 1.82 0.00 -1.33 -3.44 119.26 114.44 3mka h ALA 88 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mka h ALA 88 Cb 1.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3mka h ALA 88 CO 0.16 0.14 0.00 0.66 0.00 0.00 0.00 179.25 180.21 3mka n TYR 89 N -3.30 0.00 -4.13 0.00 4.01 -0.85 -5.10 117.16 107.79 3mka n TYR 89 Ca -0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 3mka n TYR 89 Cb 0.34 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.26 3mka n TYR 89 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3mka s ASP 90 N 1.00 1.14 0.44 7.72 2.15 -1.21 -4.92 116.67 123.00 3mka s ASP 90 Ca 0.00 -0.77 0.25 0.00 0.43 0.00 0.00 52.55 52.47 3mka s ASP 90 Cb 0.00 0.04 1.28 0.00 -0.30 0.00 0.00 42.92 43.94 3mka s ASP 90 CO 0.00 -0.30 1.75 0.03 -0.17 0.00 0.00 175.17 176.49 3mka h ARG 91 N 3.76 0.23 0.00 4.34 3.08 -1.88 0.38 114.38 124.29 3mka h ARG 91 Ca -0.36 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3mka h ARG 91 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3mka h ARG 91 CO 0.51 0.15 0.00 -2.13 -1.07 0.00 0.00 179.97 177.44 3mka n ARG 92 N -4.51 0.60 0.00 0.04 3.00 -1.26 -2.76 116.66 111.77 3mka n ARG 92 Ca 0.28 0.02 0.10 0.00 -0.00 0.00 0.00 57.85 58.25 3mka n ARG 92 Cb 1.08 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.98 3mka n ARG 92 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3mka n ASP 93 N -1.07 0.87 -4.67 6.15 8.00 0.14 -4.89 116.55 121.07 3mka n ASP 93 Ca 0.15 -0.81 -0.43 0.00 0.71 0.00 0.00 54.79 54.41 3mka n ASP 93 Cb 0.10 0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 42.07 3mka n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mka s VAL 94 N -3.02 4.74 0.18 2.53 1.01 -1.11 -5.03 120.40 119.69 3mka s VAL 94 Ca 0.08 2.02 0.08 0.00 0.00 0.00 0.00 61.98 64.17 3mka s VAL 94 Cb 0.16 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3mka s VAL 94 CO 0.84 -0.08 -0.17 0.42 0.00 0.00 0.00 175.10 176.11 3mka s THR 95 N 2.58 1.79 0.21 3.92 -4.23 -1.26 -5.02 115.64 113.63 3mka s THR 95 Ca 0.46 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 3mka s THR 95 Cb -0.17 -1.89 0.16 0.00 1.34 0.00 0.00 72.50 71.94 3mka s THR 95 CO 0.12 -0.40 1.79 1.23 -0.54 0.00 0.00 174.62 176.82 3mka h GLY 96 N 3.05 1.28 0.22 3.99 0.00 -1.92 -2.31 103.07 107.38 3mka h GLY 96 Ca -0.41 -0.68 0.14 0.00 0.00 0.00 0.00 47.33 46.38 3mka h GLY 96 CO 0.54 0.64 0.37 -0.09 0.00 0.00 0.00 176.54 178.00 3mka h ARG 97 N 1.16 0.53 -0.23 4.80 2.43 -1.96 -0.70 114.38 120.42 3mka h ARG 97 Ca 0.27 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3mka h ARG 97 Cb 0.19 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3mka h ARG 97 CO -0.03 0.35 0.00 1.96 -1.51 0.00 0.00 179.97 180.75 3mka h GLN 98 N 0.55 0.40 -0.74 0.20 4.20 -1.85 -1.24 115.11 116.64 3mka h GLN 98 Ca 0.43 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 59.03 3mka h GLN 98 Cb 0.61 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 3mka h GLN 98 CO -0.37 0.58 0.49 -0.07 -0.67 0.00 0.00 178.83 178.79 3mka h LEU 99 N 0.17 0.82 -0.08 1.46 -0.00 -1.03 -1.55 115.31 115.11 3mka h LEU 99 Ca 0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 3mka h LEU 99 Cb 0.40 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 3mka h LEU 99 CO 0.01 0.58 -0.02 0.00 -0.00 0.00 0.00 178.44 179.01 3mka h ALA 100 N 1.55 0.11 -0.67 1.53 0.00 -0.92 -1.38 119.26 119.47 3mka h ALA 100 Ca 0.28 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3mka h ALA 100 Cb -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3mka h ALA 100 CO -0.07 -0.16 0.45 -0.97 0.00 0.00 0.00 179.25 178.50 3mka h ASN 101 N -0.20 0.35 -0.04 0.00 -0.73 -0.92 -0.56 115.58 113.48 3mka h ASN 101 Ca 0.02 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.12 3mka h ASN 101 Cb 0.44 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.98 3mka h ASN 101 CO 0.01 0.20 -0.29 0.58 -0.37 0.00 0.00 177.43 177.55 3mka h VAL 102 N 0.38 1.46 -0.87 2.57 2.07 -0.92 -2.40 116.25 118.54 3mka h VAL 102 Ca 0.32 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 66.11 3mka h VAL 102 Cb 0.73 2.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.91 3mka h VAL 102 CO -0.09 0.50 0.57 1.88 0.02 0.00 0.00 177.57 180.45 3mka h TYR 103 N -0.27 1.05 -0.07 1.57 0.05 -0.46 0.50 116.97 119.33 3mka h TYR 103 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3mka h TYR 103 Cb 0.97 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 38.35 3mka h TYR 103 CO 0.14 0.61 0.05 0.00 -1.05 0.00 0.00 178.16 177.90 3mka h ALA 104 N 1.49 0.09 -0.76 3.88 0.00 -1.10 0.11 119.26 122.97 3mka h ALA 104 Ca 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3mka h ALA 104 Cb 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3mka h ALA 104 CO -0.10 -0.41 0.36 0.37 0.00 0.00 0.00 179.25 179.46 3mka h GLN 105 N 0.08 1.10 0.26 0.00 5.75 -0.83 -0.35 115.11 121.12 3mka h GLN 105 Ca 0.03 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 3mka h GLN 105 Cb 0.00 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.36 3mka h GLN 105 CO -0.01 0.85 -0.12 1.15 -2.65 0.00 0.00 178.83 178.05 3mka h THR 106 N 1.09 0.78 -0.68 2.39 2.02 -0.20 -1.73 112.91 116.57 3mka h THR 106 Ca 0.26 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3mka h THR 106 Cb 0.12 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3mka h THR 106 CO -0.03 0.13 0.36 -0.07 0.37 0.00 0.00 175.52 176.28 3mka h LEU 107 N -0.71 0.87 -0.86 2.58 3.38 -0.82 0.53 115.31 120.28 3mka h LEU 107 Ca -0.04 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 57.98 3mka h LEU 107 Cb 0.48 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 3mka h LEU 107 CO 0.06 0.73 0.44 1.23 0.09 0.00 0.00 178.44 180.99 3mka h GLY 108 N 0.94 1.40 1.03 0.83 0.00 -1.00 0.54 103.07 106.81 3mka h GLY 108 Ca 0.24 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 47.09 3mka h GLY 108 CO -0.04 -0.05 -0.89 -0.84 0.00 0.00 0.00 176.54 174.72 3mka h THR 109 N 0.61 1.34 -0.58 4.70 2.02 -0.34 -3.01 112.91 117.67 3mka h THR 109 Ca 0.47 -2.21 0.02 0.00 0.77 0.00 0.00 66.41 65.46 3mka h THR 109 Cb 0.69 2.53 -0.03 0.00 -1.74 0.00 0.00 68.15 69.59 3mka h THR 109 CO -0.37 0.67 0.36 0.40 0.37 0.00 0.00 175.52 176.95 3mka h ILE 110 N 0.16 1.09 -0.60 3.11 2.04 -0.38 0.36 117.51 123.29 3mka h ILE 110 Ca -0.12 -0.25 0.10 0.00 1.00 0.00 0.00 64.86 65.60 3mka h ILE 110 Cb 1.57 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 3mka h ILE 110 CO 0.17 0.13 0.18 0.15 0.00 0.00 0.00 178.15 178.79 3mka h PHE 111 N 0.72 0.30 0.00 1.37 3.57 -0.92 -0.84 116.94 121.15 3mka h PHE 111 Ca 0.23 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.56 3mka h PHE 111 Cb -0.01 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3mka h PHE 111 CO -0.05 0.03 -1.01 1.15 -2.23 0.00 0.00 178.31 176.20 3mka h THR 112 N 0.33 1.48 0.00 4.41 2.02 -1.36 -3.43 112.91 116.37 3mka h THR 112 Ca 0.31 -3.15 0.00 0.00 0.77 0.00 0.00 66.41 64.34 3mka h THR 112 Cb 0.43 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 3mka h THR 112 CO -0.35 0.85 -0.96 -0.62 0.37 0.00 0.00 175.52 174.80 3mka n GLU 113 N -3.29 2.76 -0.80 6.66 -0.58 0.09 -5.06 120.64 120.42 3mka n GLU 113 Ca -0.02 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.43 3mka n GLU 113 Cb 0.92 -0.98 0.21 0.00 -0.57 0.00 0.00 31.44 31.02 3mka n GLU 113 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3mka s GLN 114 N -1.96 -0.08 0.02 3.49 -1.52 -0.35 -4.98 119.66 114.28 3mka s GLN 114 Ca 0.00 0.86 -0.19 0.00 -1.95 0.00 0.00 55.36 54.08 3mka s GLN 114 Cb 0.00 -1.65 -0.10 0.00 -0.22 0.00 0.00 33.01 31.04 3mka s GLN 114 CO 0.00 -3.17 1.18 0.00 -0.25 0.00 0.00 175.29 173.06 3mka h ALA 115 N -2.22 -1.09 -3.19 6.09 0.00 -1.97 -3.43 119.26 113.45 3mka h ALA 115 Ca -0.56 -0.15 -0.63 0.00 0.00 0.00 0.00 54.91 53.58 3mka h ALA 115 Cb 1.32 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 19.23 3mka h ALA 115 CO 0.51 -1.04 -0.55 0.21 0.00 0.00 0.00 179.25 178.39 3mka s LYS 116 N -4.30 3.81 1.16 0.00 2.20 -1.26 -5.09 119.74 116.26 3mka s LYS 116 Ca -0.10 -0.30 -0.16 0.00 -0.36 0.00 0.00 55.97 55.06 3mka s LYS 116 Cb 0.01 -3.19 0.27 0.00 -1.51 0.00 0.00 37.83 33.41 3mka s LYS 116 CO 0.29 0.41 1.06 -1.25 -0.36 0.00 0.00 175.35 175.49 3mka s PRO 117 N 0.01 -0.85 -0.10 4.03 0.04 -1.26 -4.92 135.00 131.95 3mka s PRO 117 Ca 0.07 0.38 -0.25 0.00 0.04 0.00 0.00 61.00 61.24 3mka s PRO 117 Cb -0.12 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 3mka s PRO 117 CO 0.01 -3.56 0.77 0.71 0.04 0.00 0.00 177.00 174.97 3mka s TYR 118 N -2.76 3.53 -1.32 0.56 1.51 -1.26 -4.94 117.35 112.66 3mka s TYR 118 Ca 0.68 1.29 -0.11 0.00 -1.01 0.00 0.00 57.07 57.92 3mka s TYR 118 Cb -0.17 -2.91 0.13 0.00 -0.11 0.00 0.00 41.96 38.90 3mka s TYR 118 CO 0.59 -0.04 1.95 0.39 -1.11 0.00 0.00 175.55 177.33 3mka n GLU 119 N 4.32 3.41 -3.82 -0.62 1.02 -1.26 -4.71 120.64 118.98 3mka n GLU 119 Ca 0.01 -3.30 -0.10 0.00 -0.02 0.00 0.00 57.16 53.76 3mka n GLU 119 Cb 0.50 -3.03 -0.07 0.00 -0.02 0.00 0.00 31.44 28.82 3mka n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3mka s VAL 120 N 1.23 0.12 -0.03 2.62 -7.23 -1.26 -0.82 120.40 115.03 3mka s VAL 120 Ca 0.42 -0.98 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 3mka s VAL 120 Cb 0.10 -1.15 0.03 0.00 0.56 0.00 0.00 36.38 35.92 3mka s VAL 120 CO -0.02 -0.54 0.05 -0.70 -0.31 0.00 0.00 175.10 173.58 3mka s GLU 121 N -3.30 -0.00 0.09 4.82 2.12 0.07 -3.34 118.70 119.16 3mka s GLU 121 Ca 0.01 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.57 3mka s GLU 121 Cb 0.02 -0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.17 3mka s GLU 121 CO -0.08 -0.15 -0.07 -0.48 -0.54 0.00 0.00 175.26 173.94 3mka s LEU 122 N 0.98 2.47 -0.10 2.70 0.05 -0.91 -1.23 118.68 122.64 3mka s LEU 122 Ca -0.08 -0.94 0.03 0.00 0.05 0.00 0.00 54.13 53.20 3mka s LEU 122 Cb -0.11 -0.10 0.00 0.00 -2.05 0.00 0.00 46.19 43.93 3mka s LEU 122 CO -0.03 -0.42 -0.22 0.00 -0.55 0.00 0.00 176.35 175.14 3mka s VAL 124 N 0.46 2.79 0.01 0.00 1.01 -0.68 -1.02 120.40 122.96 3mka s VAL 124 Ca -0.17 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.20 3mka s VAL 124 Cb -0.17 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3mka s VAL 124 CO 0.07 0.48 -0.26 0.00 0.00 0.00 0.00 175.10 175.39 3mka s ALA 125 N 1.37 2.22 -0.06 5.51 0.00 -0.01 -1.28 121.76 129.52 3mka s ALA 125 Ca 0.05 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 3mka s ALA 125 Cb -0.14 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.47 3mka s ALA 125 CO -0.07 0.53 -0.01 -2.00 0.00 0.00 0.00 175.76 174.21 3mka s GLU 126 N -0.89 0.63 0.44 0.00 2.12 -0.80 0.88 118.70 121.09 3mka s GLU 126 Ca 0.11 0.06 0.06 0.00 0.36 0.00 0.00 54.97 55.56 3mka s GLU 126 Cb -0.10 -0.91 0.01 0.00 0.26 0.00 0.00 34.13 33.40 3mka s GLU 126 CO 0.00 -0.24 0.61 0.14 -0.54 0.00 0.00 175.26 175.23 3mka s VAL 127 N 1.68 3.05 0.81 3.70 -7.23 -0.81 -1.48 120.40 120.11 3mka s VAL 127 Ca 0.01 -0.92 -0.11 0.00 -1.81 0.00 0.00 61.98 59.15 3mka s VAL 127 Cb -0.13 -3.05 0.08 0.00 0.56 0.00 0.00 36.38 33.84 3mka s VAL 127 CO -0.04 -0.02 1.09 0.00 -0.31 0.00 0.00 175.10 175.82 3mka s ALA 128 N -2.43 2.13 0.44 1.32 0.00 -1.26 -4.86 121.76 117.10 3mka s ALA 128 Ca 0.54 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.17 3mka s ALA 128 Cb -0.10 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 3mka s ALA 128 CO 0.34 -1.82 1.03 -1.01 0.00 0.00 0.00 175.76 174.30 3mka s HIS 129 N -3.08 3.17 -0.49 0.00 3.76 -1.26 -4.76 115.29 112.62 3mka s HIS 129 Ca 0.61 1.61 -0.46 0.00 -0.15 0.00 0.00 55.06 56.67 3mka s HIS 129 Cb -0.15 -3.06 -0.20 0.00 1.11 0.00 0.00 32.58 30.29 3mka s HIS 129 CO 0.55 -0.62 1.71 0.98 -0.85 0.00 0.00 174.74 176.51 3mka n TYR 130 N -0.53 1.66 0.00 1.40 9.36 -1.26 0.66 117.16 128.45 3mka n TYR 130 Ca 0.07 1.05 0.00 0.00 3.32 0.00 0.00 57.90 62.34 3mka n TYR 130 Cb 0.51 -2.25 0.00 0.00 -0.63 0.00 0.00 39.34 36.97 3mka n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3mka n GLY 131 N 4.70 2.98 3.81 2.98 0.00 -1.26 -5.04 105.19 113.36 3mka n GLY 131 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 3mka n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mka s GLU 132 N -0.20 1.38 -0.35 1.61 2.02 0.21 -5.03 118.70 118.34 3mka s GLU 132 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.27 3mka s GLU 132 Cb 0.00 -1.87 0.11 0.00 0.10 0.00 0.00 34.13 32.47 3mka s GLU 132 CO 0.00 -2.03 0.14 0.95 0.02 0.00 0.00 175.26 174.34 3mka s THR 133 N -3.33 1.03 -0.01 3.63 -4.23 -1.26 -4.75 115.64 106.71 3mka s THR 133 Ca 0.63 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 3mka s THR 133 Cb -0.14 -1.76 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 3mka s THR 133 CO 0.52 -0.75 -0.07 -0.75 -0.54 0.00 0.00 174.62 173.04 3mka s LYS 134 N 1.23 0.62 0.12 3.99 2.20 -1.26 -5.11 119.74 121.54 3mka s LYS 134 Ca 0.12 -0.24 -0.31 0.00 -0.36 0.00 0.00 55.97 55.18 3mka s LYS 134 Cb -0.20 -0.60 -0.09 0.00 -1.51 0.00 0.00 37.83 35.43 3mka s LYS 134 CO -0.17 0.13 1.58 1.03 -0.36 0.00 0.00 175.35 177.56 3mka s ARG 135 N -0.04 4.22 0.99 4.03 0.52 -1.26 -4.37 118.95 123.04 3mka s ARG 135 Ca 0.01 2.31 -0.15 0.00 -0.52 0.00 0.00 55.73 57.38 3mka s ARG 135 Cb -0.04 -3.34 0.03 0.00 0.52 0.00 0.00 34.95 32.12 3mka s ARG 135 CO -0.00 -0.64 0.17 -2.30 0.02 0.00 0.00 175.30 172.55 3mka n PRO 136 N 4.61 -0.54 -4.73 3.54 -0.02 -1.26 -4.88 135.00 131.71 3mka n PRO 136 Ca 0.14 -0.13 -0.23 0.00 -2.02 0.00 0.00 63.50 61.26 3mka n PRO 136 Cb 0.40 -1.73 -0.15 0.00 -0.02 0.00 0.00 33.50 32.00 3mka n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3mka s GLU 137 N -3.42 1.28 -0.01 -0.52 2.02 -0.55 -5.00 118.70 112.50 3mka s GLU 137 Ca 0.55 -0.56 0.04 0.00 0.02 0.00 0.00 54.97 55.02 3mka s GLU 137 Cb -0.18 -1.23 -0.01 0.00 0.10 0.00 0.00 34.13 32.81 3mka s GLU 137 CO 0.69 0.33 -0.13 -0.51 0.02 0.00 0.00 175.26 175.65 3mka s LEU 138 N -0.34 2.00 0.00 1.80 1.43 -1.24 -1.90 118.68 120.43 3mka s LEU 138 Ca 0.05 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3mka s LEU 138 Cb -0.06 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.47 3mka s LEU 138 CO -0.00 0.15 -0.08 -0.31 0.23 0.00 0.00 176.35 176.34 3mka s TYR 139 N -0.24 0.70 -0.04 0.29 2.02 -0.41 -1.41 117.35 118.26 3mka s TYR 139 Ca 0.04 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.63 3mka s TYR 139 Cb -0.06 -0.44 -0.01 0.00 -0.40 0.00 0.00 41.96 41.05 3mka s TYR 139 CO -0.00 -0.02 -0.25 0.50 -1.57 0.00 0.00 175.55 174.21 3mka s ARG 140 N -0.38 2.36 -0.11 -0.62 3.52 0.23 -1.69 118.95 122.25 3mka s ARG 140 Ca 0.01 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 54.75 3mka s ARG 140 Cb -0.04 -2.08 0.01 0.00 -1.56 0.00 0.00 34.95 31.29 3mka s ARG 140 CO -0.00 0.42 -0.19 0.42 -0.81 0.00 0.00 175.30 175.14 3mka s ILE 141 N -0.29 1.76 0.63 4.11 1.09 0.86 0.23 121.20 129.59 3mka s ILE 141 Ca 0.01 -0.81 -0.07 0.00 -1.10 0.00 0.00 60.65 58.67 3mka s ILE 141 Cb -0.12 -1.57 0.02 0.00 -1.06 0.00 0.00 42.46 39.72 3mka s ILE 141 CO 0.02 0.49 0.96 0.42 -0.10 0.00 0.00 174.94 176.73 3mka s THR 142 N 0.78 3.48 0.36 2.92 -4.23 0.71 -2.15 115.64 117.50 3mka s THR 142 Ca -0.10 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 3mka s THR 142 Cb -0.16 -3.41 0.26 0.00 1.34 0.00 0.00 72.50 70.53 3mka s THR 142 CO 0.01 -0.46 2.01 0.10 -0.54 0.00 0.00 174.62 175.75 3mka h TYR 143 N -0.33 0.76 0.00 3.99 -0.00 -1.83 0.33 116.97 119.89 3mka h TYR 143 Ca -0.45 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.28 3mka h TYR 143 Cb 1.26 -0.26 -0.00 0.00 0.00 0.00 0.00 36.73 37.73 3mka h TYR 143 CO 0.46 0.48 -0.04 0.22 -0.00 0.00 0.00 178.16 179.28 3mka h ASP 144 N 0.81 0.00 0.00 0.10 3.58 -1.90 -3.40 116.42 115.61 3mka h ASP 144 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3mka h ASP 144 Cb -0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.97 3mka h ASP 144 CO -0.05 0.04 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 3mka n GLY 145 N -0.72 0.77 3.78 -0.78 0.00 0.12 -4.21 105.19 104.14 3mka n GLY 145 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3mka n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mka s SER 146 N -2.46 6.20 -0.01 1.61 0.01 -1.25 -4.66 113.70 113.13 3mka s SER 146 Ca 0.00 2.19 0.06 0.00 1.31 0.00 0.00 55.95 59.51 3mka s SER 146 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 3mka s SER 146 CO 0.00 -0.89 -0.18 -0.51 0.41 0.00 0.00 173.24 172.07 3mka s ILE 147 N -1.66 1.42 -0.02 1.44 2.07 -1.26 -0.21 121.20 122.98 3mka s ILE 147 Ca 0.65 -0.80 0.03 0.00 -1.41 0.00 0.00 60.65 59.13 3mka s ILE 147 Cb -0.25 -1.18 -0.00 0.00 0.13 0.00 0.00 42.46 41.15 3mka s ILE 147 CO 0.30 0.38 -0.12 0.00 -1.91 0.00 0.00 174.94 173.59 3mka s ALA 148 N -0.45 1.06 -0.72 1.50 0.00 0.13 -4.96 121.76 118.32 3mka s ALA 148 Ca 0.07 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.36 3mka s ALA 148 Cb -0.07 -0.34 0.11 0.00 0.00 0.00 0.00 23.12 22.82 3mka s ALA 148 CO -0.00 0.21 0.89 0.34 0.00 0.00 0.00 175.76 177.19 3mka s ASP 149 N -0.01 6.34 -0.22 0.00 -1.08 -1.26 -0.60 116.67 119.85 3mka s ASP 149 Ca -0.00 -1.58 -0.18 0.00 -0.52 0.00 0.00 52.55 50.27 3mka s ASP 149 Cb -0.08 -2.35 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 3mka s ASP 149 CO 0.00 -1.14 0.48 -1.61 0.52 0.00 0.00 175.17 173.42 3mka s GLU 150 N 2.84 4.15 0.21 4.34 0.41 -0.50 -5.01 118.70 125.14 3mka s GLU 150 Ca 0.20 0.33 -0.03 0.00 -0.41 0.00 0.00 54.97 55.06 3mka s GLU 150 Cb -0.16 -3.58 0.18 0.00 -1.78 0.00 0.00 34.13 28.79 3mka s GLU 150 CO 0.02 -0.18 1.59 -1.35 -0.49 0.00 0.00 175.26 174.85 3mka h PRO 151 N 7.62 0.66 0.00 0.39 0.11 -1.96 -3.28 132.00 135.53 3mka h PRO 151 Ca -0.33 -0.31 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3mka h PRO 151 Cb 1.15 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3mka h PRO 151 CO 0.72 0.91 -0.71 0.72 -0.21 0.00 0.00 178.00 179.43 3mka n HIS 152 N -4.05 0.00 -3.67 0.65 8.25 -1.26 -4.86 115.22 110.27 3mka n HIS 152 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 3mka n HIS 152 Cb 0.50 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 3mka n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3mka s PHE 153 N -1.71 -0.30 0.01 4.41 -0.12 -1.26 0.43 117.98 119.44 3mka s PHE 153 Ca 0.00 -0.04 -0.00 0.00 -0.05 0.00 0.00 56.93 56.83 3mka s PHE 153 Cb 0.00 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.96 3mka s PHE 153 CO 0.00 -1.02 -0.01 0.08 -0.05 0.00 0.00 175.22 174.22 3mka s VAL 154 N -3.85 0.04 -0.02 -2.49 1.01 0.17 -4.89 120.40 110.37 3mka s VAL 154 Ca 0.07 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3mka s VAL 154 Cb -0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.24 3mka s VAL 154 CO -0.03 -0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 174.09 3mka s VAL 155 N -0.53 0.94 0.06 2.92 1.01 -1.26 -0.92 120.40 122.62 3mka s VAL 155 Ca -0.06 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 3mka s VAL 155 Cb -0.04 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3mka s VAL 155 CO -0.00 0.28 0.37 -0.04 0.00 0.00 0.00 175.10 175.70 3mka s MET 156 N -0.07 0.90 0.00 2.72 -1.94 -0.65 -5.02 119.30 115.24 3mka s MET 156 Ca 0.01 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 3mka s MET 156 Cb -0.07 0.39 0.00 0.00 2.01 0.00 0.00 34.83 37.17 3mka s MET 156 CO 0.00 -0.31 0.00 0.41 -0.01 0.00 0.00 175.02 175.11 3mka n GLY 157 N 0.42 0.09 7.00 -0.03 0.00 -1.26 -0.28 105.19 111.13 3mka n GLY 157 Ca -0.18 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3mka n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mka n GLY 158 N 0.66 2.18 3.49 -0.02 0.00 0.05 -4.23 105.19 107.32 3mka n GLY 158 Ca 0.00 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3mka n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mka s THR 159 N 0.00 5.05 -0.14 2.61 -4.23 -1.26 -4.29 115.64 113.38 3mka s THR 159 Ca 0.00 -0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 60.09 3mka s THR 159 Cb 0.00 -4.06 -0.25 0.00 1.34 0.00 0.00 72.50 69.54 3mka s THR 159 CO 0.00 -0.44 0.45 0.71 -0.54 0.00 0.00 174.62 174.81 3mka h THR 160 N 5.74 1.01 -0.75 3.99 1.35 -1.96 -3.41 112.91 118.87 3mka h THR 160 Ca -0.26 -2.32 0.15 0.00 -0.55 0.00 0.00 66.41 63.42 3mka h THR 160 Cb 1.11 2.60 -0.14 0.00 -1.73 0.00 0.00 68.15 69.99 3mka h THR 160 CO 0.81 0.61 -0.20 -0.62 -0.25 0.00 0.00 175.52 175.86 3mka n GLU 161 N -4.07 -0.08 0.37 4.72 4.71 -1.26 -0.13 120.64 124.88 3mka n GLU 161 Ca -0.27 1.17 -0.18 0.00 -0.01 0.00 0.00 57.16 57.88 3mka n GLU 161 Cb 0.82 -1.75 -0.09 0.00 -1.01 0.00 0.00 31.44 29.41 3mka n GLU 161 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3mka h PRO 162 N 0.00 -0.97 -0.59 3.49 0.13 -1.92 0.05 132.00 132.19 3mka h PRO 162 Ca 0.35 0.07 0.09 0.00 -0.87 0.00 0.00 66.00 65.63 3mka h PRO 162 Cb 0.54 0.22 -0.07 0.00 0.13 0.00 0.00 31.00 31.82 3mka h PRO 162 CO -0.77 -0.65 0.21 0.82 -0.23 0.00 0.00 178.00 177.38 3mka h ILE 163 N -1.01 0.78 0.03 -3.56 2.04 -1.28 0.41 117.51 114.93 3mka h ILE 163 Ca -0.08 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3mka h ILE 163 Cb 0.82 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3mka h ILE 163 CO 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 178.15 178.26 3mka h ALA 164 N 1.40 -0.07 -0.24 1.87 0.00 -0.42 -1.16 119.26 120.64 3mka h ALA 164 Ca 0.29 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3mka h ALA 164 Cb 0.35 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3mka h ALA 164 CO -0.30 -0.55 -0.05 -0.91 0.00 0.00 0.00 179.25 177.44 3mka h ASN 165 N -0.09 0.45 -0.80 0.00 2.35 -0.64 0.13 115.58 116.97 3mka h ASN 165 Ca 0.01 -0.36 0.09 0.00 -0.55 0.00 0.00 56.30 55.49 3mka h ASN 165 Cb 0.10 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.27 3mka h ASN 165 CO -0.02 0.71 0.45 0.00 -1.65 0.00 0.00 177.43 176.92 3mka h ALA 166 N 0.76 1.14 -0.67 -0.83 0.00 -0.09 0.61 119.26 120.17 3mka h ALA 166 Ca 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3mka h ALA 166 Cb 0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3mka h ALA 166 CO 0.02 0.07 0.23 1.25 0.00 0.00 0.00 179.25 180.82 3mka h LEU 167 N 0.75 0.96 -0.44 0.00 5.85 -0.99 1.32 115.31 122.77 3mka h LEU 167 Ca 0.39 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3mka h LEU 167 Cb 0.37 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3mka h LEU 167 CO -0.25 0.90 0.20 0.50 -0.34 0.00 0.00 178.44 179.45 3mka h LYS 168 N 0.97 0.64 -0.50 1.25 3.64 0.64 2.43 116.57 125.64 3mka h LYS 168 Ca 0.22 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 3mka h LYS 168 Cb 0.27 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3mka h LYS 168 CO -0.01 0.57 -0.12 1.49 -2.27 0.00 0.00 179.45 179.11 3mka h GLU 169 N 0.57 0.93 -0.07 1.90 4.57 0.61 -3.29 114.58 119.79 3mka h GLU 169 Ca 0.15 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3mka h GLU 169 Cb 0.15 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3mka h GLU 169 CO -0.02 0.99 0.00 -1.13 -1.18 0.00 0.00 179.01 177.68 3mka n SER 170 N -4.15 2.89 -4.74 1.04 3.41 0.45 -5.00 113.62 107.53 3mka n SER 170 Ca 0.01 -1.92 -0.41 0.00 -0.26 0.00 0.00 58.87 56.29 3mka n SER 170 Cb 0.39 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3mka n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3mka s TYR 171 N -1.76 3.19 -0.12 7.33 5.04 0.81 -4.97 117.35 126.88 3mka s TYR 171 Ca 0.27 1.11 0.02 0.00 -2.44 0.00 0.00 57.07 56.03 3mka s TYR 171 Cb 0.19 -3.68 0.01 0.00 0.35 0.00 0.00 41.96 38.83 3mka s TYR 171 CO 0.28 -2.21 -0.17 0.00 -1.34 0.00 0.00 175.55 172.10 3mka s ALA 172 N 0.26 1.84 0.26 3.97 0.00 -1.26 -5.02 121.76 121.81 3mka s ALA 172 Ca 0.59 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 3mka s ALA 172 Cb -0.38 -0.87 -0.09 0.00 0.00 0.00 0.00 23.12 21.78 3mka s ALA 172 CO 0.38 -0.05 1.14 -2.00 0.00 0.00 0.00 175.76 175.24 3mka s GLU 173 N 0.92 4.57 -1.46 0.00 2.12 -1.26 -3.41 118.70 120.17 3mka s GLU 173 Ca -0.07 1.86 -0.08 0.00 0.36 0.00 0.00 54.97 57.04 3mka s GLU 173 Cb -0.15 -3.19 0.03 0.00 0.26 0.00 0.00 34.13 31.08 3mka s GLU 173 CO -0.01 0.09 0.82 0.09 -0.54 0.00 0.00 175.26 175.71 3mka n ASN 174 N 1.49 -5.63 -4.78 -1.70 4.13 -1.26 -4.94 115.26 102.57 3mka n ASN 174 Ca 0.00 -0.46 -0.35 0.00 1.68 0.00 0.00 54.58 55.45 3mka n ASN 174 Cb 0.44 -4.52 -0.01 0.00 -1.54 0.00 0.00 39.78 34.16 3mka n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mka s ALA 175 N -3.20 2.80 0.76 5.41 0.00 -1.22 -4.30 121.76 122.01 3mka s ALA 175 Ca 0.46 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 3mka s ALA 175 Cb -0.22 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.61 3mka s ALA 175 CO 0.57 -0.68 1.19 -1.54 0.00 0.00 0.00 175.76 175.30 3mka s SER 176 N -1.68 4.00 0.17 0.00 1.04 -1.26 -3.55 113.70 112.42 3mka s SER 176 Ca 0.69 2.29 -0.15 0.00 0.48 0.00 0.00 55.95 59.27 3mka s SER 176 Cb -0.24 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.36 3mka s SER 176 CO 0.28 -2.39 1.82 0.25 0.98 0.00 0.00 173.24 174.18 3mka h LEU 177 N -0.62 0.49 -0.54 2.42 5.85 -1.99 -0.48 115.31 120.45 3mka h LEU 177 Ca -0.47 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 3mka h LEU 177 Cb 1.29 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3mka h LEU 177 CO 0.48 0.35 0.26 0.74 -0.34 0.00 0.00 178.44 179.93 3mka h THR 178 N 0.60 1.20 -0.70 1.05 2.02 -1.90 0.15 112.91 115.34 3mka h THR 178 Ca 0.19 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 3mka h THR 178 Cb -0.02 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 3mka h THR 178 CO -0.07 0.23 0.28 0.44 0.37 0.00 0.00 175.52 176.77 3mka h ASP 179 N 0.72 0.96 -0.71 4.18 5.19 -1.88 -0.71 116.42 124.18 3mka h ASP 179 Ca 0.18 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 3mka h ASP 179 Cb 0.12 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 3mka h ASP 179 CO -0.02 0.87 0.34 0.00 -3.12 0.00 0.00 179.24 177.30 3mka h ALA 180 N 1.13 0.92 -0.53 3.45 0.00 -0.71 -0.69 119.26 122.83 3mka h ALA 180 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 180 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3mka h ALA 180 CO -0.02 0.49 0.27 1.25 0.00 0.00 0.00 179.25 181.23 3mka h LEU 181 N 0.99 0.68 -0.74 0.00 5.85 -0.49 -0.19 115.31 121.42 3mka h LEU 181 Ca 0.24 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3mka h LEU 181 Cb 0.13 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3mka h LEU 181 CO -0.03 0.61 0.37 0.03 -0.34 0.00 0.00 178.44 179.08 3mka h ARG 182 N 0.71 1.05 -0.55 1.25 3.08 -0.68 -0.09 114.38 119.15 3mka h ARG 182 Ca 0.18 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3mka h ARG 182 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3mka h ARG 182 CO -0.03 0.81 0.20 0.82 -1.07 0.00 0.00 179.97 180.71 3mka h ILE 183 N 1.03 1.23 -0.55 2.04 2.04 -0.71 0.13 117.51 122.71 3mka h ILE 183 Ca 0.25 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3mka h ILE 183 Cb 0.10 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3mka h ILE 183 CO -0.03 0.28 0.29 0.00 0.00 0.00 0.00 178.15 178.68 3mka h ALA 184 N 1.06 0.71 -0.29 1.87 0.00 -0.61 0.22 119.26 122.22 3mka h ALA 184 Ca 0.18 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 184 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mka h ALA 184 CO -0.01 0.25 -0.22 0.28 0.00 0.00 0.00 179.25 179.54 3mka h VAL 185 N 0.74 1.26 -0.56 0.00 2.07 -0.76 -1.35 116.25 117.67 3mka h VAL 185 Ca 0.19 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 3mka h VAL 185 Cb 0.08 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3mka h VAL 185 CO -0.03 0.40 0.24 0.00 0.02 0.00 0.00 177.57 178.21 3mka h ALA 186 N 1.27 0.72 -0.69 1.67 0.00 -0.05 -1.87 119.26 120.31 3mka h ALA 186 Ca 0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3mka h ALA 186 Cb 0.66 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3mka h ALA 186 CO 0.05 0.31 0.20 0.00 0.00 0.00 0.00 179.25 179.81 3mka h ALA 187 N 1.08 1.05 -0.76 0.00 0.00 -0.59 -2.73 119.26 117.31 3mka h ALA 187 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mka h ALA 187 Cb 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3mka h ALA 187 CO -0.02 0.64 0.41 1.25 0.00 0.00 0.00 179.25 181.53 3mka h LEU 188 N 1.02 0.96 -1.13 0.00 5.85 -0.81 -1.88 115.31 119.33 3mka h LEU 188 Ca 0.22 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3mka h LEU 188 Cb 0.31 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3mka h LEU 188 CO -0.00 0.79 -0.10 0.03 -0.34 0.00 0.00 178.44 178.81 3mka h ARG 189 N 1.06 0.50 -0.92 1.25 3.08 -1.15 -2.31 114.38 115.88 3mka h ARG 189 Ca 0.27 -0.13 0.13 0.00 0.07 0.00 0.00 59.98 60.32 3mka h ARG 189 Cb 0.05 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 3mka h ARG 189 CO -0.04 0.60 0.59 0.00 -1.07 0.00 0.00 179.97 180.05 3mka h ALA 190 N 1.44 1.72 -0.78 0.04 0.00 -1.04 1.10 119.26 121.73 3mka h ALA 190 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3mka h ALA 190 Cb 0.46 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3mka h ALA 190 CO 0.03 0.04 0.40 0.78 0.00 0.00 0.00 179.25 180.50 3mka h GLY 191 N 0.80 1.18 0.00 0.00 0.00 -1.30 -3.45 103.07 100.30 3mka h GLY 191 Ca 0.46 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3mka h GLY 191 CO -0.22 0.52 0.00 1.44 0.00 0.00 0.00 176.54 178.28 3mka n SER 192 N -4.34 0.00 0.00 0.19 7.64 0.38 -5.00 113.62 112.49 3mka n SER 192 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3mka n SER 192 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3mka n SER 192 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3mka n LEU 203 N 0.00 0.00 -4.80 -3.43 7.94 -1.26 -4.69 117.00 110.77 3mka n LEU 203 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 3mka n LEU 203 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 3mka n LEU 203 CO 0.00 0.00 0.72 -0.83 -1.11 0.00 0.00 177.39 176.17 3mka s GLY 204 N 0.00 2.06 0.24 -3.96 0.00 -1.26 -4.93 107.32 99.46 3mka s GLY 204 Ca 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 44.72 45.04 3mka s GLY 204 CO 0.00 0.71 1.82 -0.39 0.00 0.00 0.00 173.10 175.23 3mka h VAL 205 N 0.15 1.25 0.00 1.40 -1.51 -1.96 0.20 116.25 115.78 3mka h VAL 205 Ca -0.46 -0.76 -0.00 0.00 -1.23 0.00 0.00 66.70 64.24 3mka h VAL 205 Cb 1.22 0.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.69 3mka h VAL 205 CO 0.56 0.32 -0.01 0.00 -1.23 0.00 0.00 177.57 177.21 3mka h ALA 206 N 1.24 1.31 -0.02 5.19 0.00 -1.93 0.21 119.26 125.25 3mka h ALA 206 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3mka h ALA 206 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3mka h ALA 206 CO -0.03 0.01 -0.15 -1.13 0.00 0.00 0.00 179.25 177.95 3mka n SER 207 N -3.54 2.34 -4.46 0.00 3.41 -0.01 -4.53 113.62 106.84 3mka n SER 207 Ca -0.03 -1.70 -0.22 0.00 -0.26 0.00 0.00 58.87 56.66 3mka n SER 207 Cb 0.09 0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 3mka n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mka s LEU 208 N -2.17 2.47 -0.11 1.04 1.02 0.72 -1.79 118.68 119.87 3mka s LEU 208 Ca 0.27 -1.25 -0.02 0.00 0.02 0.00 0.00 54.13 53.15 3mka s LEU 208 Cb 0.20 -0.62 0.04 0.00 0.02 0.00 0.00 46.19 45.82 3mka s LEU 208 CO 0.40 -0.41 -0.00 -0.70 0.02 0.00 0.00 176.35 175.66 3mka s GLU 209 N -3.76 0.76 0.03 1.70 2.12 -0.21 -4.67 118.70 114.67 3mka s GLU 209 Ca 0.32 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.62 3mka s GLU 209 Cb 0.06 -1.34 -0.02 0.00 0.26 0.00 0.00 34.13 33.08 3mka s GLU 209 CO 0.14 -0.38 -0.15 0.08 -0.54 0.00 0.00 175.26 174.41 3mka s VAL 210 N 1.90 1.17 0.11 3.70 1.01 -1.26 -1.52 120.40 125.51 3mka s VAL 210 Ca 0.04 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 3mka s VAL 210 Cb -0.13 -1.04 0.08 0.00 0.00 0.00 0.00 36.38 35.29 3mka s VAL 210 CO -0.06 0.08 0.78 0.00 0.00 0.00 0.00 175.10 175.90 3mka s ALA 211 N -0.75 -1.65 0.04 5.51 0.00 -0.84 -1.70 121.76 122.38 3mka s ALA 211 Ca 0.03 0.54 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 3mka s ALA 211 Cb -0.07 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 3mka s ALA 211 CO 0.01 -0.81 0.10 0.14 0.00 0.00 0.00 175.76 175.20 3mka s VAL 212 N -3.46 0.14 -0.31 0.00 -7.23 0.68 -0.82 120.40 109.39 3mka s VAL 212 Ca 0.05 -1.15 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 3mka s VAL 212 Cb -0.02 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 3mka s VAL 212 CO -0.07 -0.63 0.23 -0.76 -0.31 0.00 0.00 175.10 173.56 3mka s LEU 213 N -2.28 4.24 -0.30 1.32 1.43 -0.24 -0.81 118.68 122.06 3mka s LEU 213 Ca -0.03 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 3mka s LEU 213 Cb 0.00 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3mka s LEU 213 CO -0.06 -0.15 0.22 -0.62 0.23 0.00 0.00 176.35 175.98 3mka s ASP 214 N 1.74 6.06 0.29 2.29 -1.08 0.27 -2.81 116.67 123.43 3mka s ASP 214 Ca 0.07 -0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 3mka s ASP 214 Cb -0.17 -2.13 0.45 0.00 -1.46 0.00 0.00 42.92 39.61 3mka s ASP 214 CO 0.11 -0.11 1.82 0.00 0.52 0.00 0.00 175.17 177.51 3mka h ALA 215 N 8.38 1.23 -0.66 3.66 0.00 -1.82 -2.92 119.26 127.14 3mka h ALA 215 Ca -0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3mka h ALA 215 Cb 1.18 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3mka h ALA 215 CO 0.58 0.52 0.32 -0.91 0.00 0.00 0.00 179.25 179.76 3mka h ASN 216 N 0.69 0.83 -3.87 0.00 2.35 -1.92 -3.38 115.58 110.28 3mka h ASN 216 Ca 0.15 -0.08 -0.54 0.00 -0.55 0.00 0.00 56.30 55.28 3mka h ASN 216 Cb 0.35 -0.21 0.10 0.00 0.05 0.00 0.00 38.32 38.61 3mka h ASN 216 CO 0.01 0.70 0.79 -0.13 -1.65 0.00 0.00 177.43 177.15 3mka s ARG 217 N -5.54 4.12 0.14 0.81 1.81 -1.10 -4.92 118.95 114.27 3mka s ARG 217 Ca -0.10 2.56 -0.15 0.00 -1.72 0.00 0.00 55.73 56.31 3mka s ARG 217 Cb 0.17 -2.98 0.01 0.00 -0.45 0.00 0.00 34.95 31.70 3mka s ARG 217 CO 0.79 -0.53 1.72 -1.00 -0.68 0.00 0.00 175.30 175.60 3mka h PRO 218 N 3.23 0.62 0.00 3.54 0.13 -1.88 -3.42 132.00 134.22 3mka h PRO 218 Ca -0.50 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3mka h PRO 218 Cb 1.24 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3mka h PRO 218 CO 0.66 0.54 0.00 -2.13 -0.23 0.00 0.00 178.00 176.84 3mka n ARG 219 N -4.66 0.00 -3.16 0.86 0.63 -1.26 -4.38 116.66 104.68 3mka n ARG 219 Ca 0.01 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.50 3mka n ARG 219 Cb 0.12 -0.43 -0.06 0.00 0.45 0.00 0.00 32.46 32.53 3mka n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3mka s ARG 220 N -1.90 3.13 0.24 -0.14 0.52 -1.26 -4.38 118.95 115.16 3mka s ARG 220 Ca 0.00 -0.86 -0.04 0.00 -0.52 0.00 0.00 55.73 54.31 3mka s ARG 220 Cb 0.00 -4.08 0.27 0.00 0.52 0.00 0.00 34.95 31.66 3mka s ARG 220 CO 0.00 -1.19 1.76 0.00 0.02 0.00 0.00 175.30 175.89 3mka h ALA 221 N 8.97 1.08 -2.69 2.13 0.00 -1.17 -3.46 119.26 124.12 3mka h ALA 221 Ca -0.27 -0.24 -0.52 0.00 0.00 0.00 0.00 54.91 53.87 3mka h ALA 221 Cb 1.10 -0.23 0.06 0.00 0.00 0.00 0.00 17.79 18.72 3mka h ALA 221 CO 0.95 0.60 0.96 0.12 0.00 0.00 0.00 179.25 181.89 3mka s PHE 222 N -5.17 2.89 -0.13 0.00 5.36 -1.26 0.97 117.98 120.64 3mka s PHE 222 Ca -0.10 0.49 -0.09 0.00 -0.96 0.00 0.00 56.93 56.27 3mka s PHE 222 Cb 0.15 -4.10 0.04 0.00 -0.34 0.00 0.00 43.02 38.78 3mka s PHE 222 CO 0.82 -4.02 0.32 1.03 -1.46 0.00 0.00 175.22 171.91 3mka s ARG 223 N 0.73 0.33 -0.16 10.12 0.52 0.01 -4.91 118.95 125.59 3mka s ARG 223 Ca 0.71 0.55 -0.18 0.00 -0.52 0.00 0.00 55.73 56.29 3mka s ARG 223 Cb -0.48 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 34.99 3mka s ARG 223 CO 0.36 -0.11 0.47 1.03 0.02 0.00 0.00 175.30 177.07 3mka s ARG 224 N 0.79 4.26 -0.44 3.54 0.52 -1.26 -0.23 118.95 126.13 3mka s ARG 224 Ca -0.05 0.39 -0.17 0.00 -0.52 0.00 0.00 55.73 55.37 3mka s ARG 224 Cb -0.06 -3.49 0.03 0.00 0.52 0.00 0.00 34.95 31.95 3mka s ARG 224 CO -0.05 0.03 0.45 0.42 0.02 0.00 0.00 175.30 176.17 3mka s ILE 225 N 1.04 5.09 0.24 1.52 1.01 -0.69 -4.96 121.20 124.45 3mka s ILE 225 Ca 0.24 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.48 3mka s ILE 225 Cb -0.15 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 3mka s ILE 225 CO 0.09 -0.48 -0.09 0.28 0.00 0.00 0.00 174.94 174.74 3mka s THR 226 N 2.11 1.60 0.00 2.92 -1.32 -1.26 -4.36 115.64 115.33 3mka s THR 226 Ca 0.11 -2.15 0.00 0.00 -1.21 0.00 0.00 61.69 58.44 3mka s THR 226 Cb -0.18 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 3mka s THR 226 CO 0.12 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 3mka n GLY 227 N -0.46 2.55 0.34 6.08 0.00 -1.26 -2.76 105.19 109.69 3mka n GLY 227 Ca -0.07 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3mka n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mka h SER 228 N 0.00 -1.01 -0.75 1.61 0.02 -1.98 0.11 113.55 111.55 3mka h SER 228 Ca 0.00 0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3mka h SER 228 Cb 0.00 0.60 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3mka h SER 228 CO 0.00 -0.29 0.39 0.00 -1.14 0.00 0.00 176.83 175.79 3mka h ALA 229 N 1.64 0.96 -0.72 3.77 0.00 -1.93 -0.36 119.26 122.62 3mka h ALA 229 Ca 0.38 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3mka h ALA 229 Cb 0.62 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3mka h ALA 229 CO -0.90 0.49 0.30 1.25 0.00 0.00 0.00 179.25 180.39 3mka h LEU 230 N 1.04 0.98 -0.64 0.00 5.85 -0.82 -0.60 115.31 121.12 3mka h LEU 230 Ca 0.26 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3mka h LEU 230 Cb 0.06 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3mka h LEU 230 CO -0.04 0.88 0.33 -0.61 -0.34 0.00 0.00 178.44 178.66 3mka h GLN 231 N 1.03 0.91 -0.65 1.25 5.75 -0.29 -0.46 115.11 122.64 3mka h GLN 231 Ca 0.24 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 3mka h GLN 231 Cb 0.19 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 3mka h GLN 231 CO -0.02 0.71 0.30 0.00 -2.65 0.00 0.00 178.83 177.17 3mka h ALA 232 N 1.15 0.84 -0.73 3.38 0.00 -0.58 -2.48 119.26 120.84 3mka h ALA 232 Ca 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3mka h ALA 232 Cb 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3mka h ALA 232 CO -0.03 0.42 0.24 -0.07 0.00 0.00 0.00 179.25 179.81 3mka h LEU 233 N 0.91 1.05 0.00 0.00 4.07 -0.63 -3.51 115.31 117.19 3mka h LEU 233 Ca 0.22 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3mka h LEU 233 Cb 0.14 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.61 3mka h LEU 233 CO -0.03 0.96 0.00 0.18 -1.08 0.00 0.00 178.44 178.48