#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s PHE 6 N 0.00 3.42 0.27 -3.48 0.08 -1.26 -5.11 117.98 111.91 3mka s PHE 6 Ca 0.00 0.97 0.02 0.00 0.12 0.00 0.00 56.93 58.04 3mka s PHE 6 Cb 0.00 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 40.04 3mka s PHE 6 CO 0.00 0.14 0.08 0.96 -0.10 0.00 0.00 175.22 176.30 3mka s ILE 7 N -2.00 0.76 0.19 0.64 -4.36 -1.26 -5.14 121.20 110.04 3mka s ILE 7 Ca 0.50 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.94 3mka s ILE 7 Cb -0.11 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 3mka s ILE 7 CO 0.23 -0.02 0.20 -0.94 0.24 0.00 0.00 174.94 174.65 3mka s SER 8 N -3.36 5.73 0.18 4.36 1.04 -1.26 -4.83 113.70 115.56 3mka s SER 8 Ca 0.37 -0.09 -0.19 0.00 0.48 0.00 0.00 55.95 56.51 3mka s SER 8 Cb 0.08 -1.55 0.12 0.00 0.10 0.00 0.00 66.02 64.77 3mka s SER 8 CO 0.14 0.03 1.35 -2.65 0.98 0.00 0.00 173.24 173.08 3mka n PRO 9 N -0.70 -0.27 -0.30 4.02 -0.02 -1.26 0.16 135.00 136.64 3mka n PRO 9 Ca -0.08 1.33 -0.02 0.00 -2.02 0.00 0.00 63.50 62.71 3mka n PRO 9 Cb 0.56 -1.97 0.16 0.00 -0.02 0.00 0.00 33.50 32.23 3mka n PRO 9 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3mka h GLU 10 N 0.00 1.16 0.41 -0.52 4.22 -2.00 -2.43 114.58 115.42 3mka h GLU 10 Ca 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 59.36 59.57 3mka h GLU 10 Cb 0.46 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3mka h GLU 10 CO -0.85 0.80 -0.20 0.37 -2.18 0.00 0.00 179.01 176.96 3mka h GLN 11 N 1.19 -0.53 -0.86 1.92 5.75 0.12 -2.92 115.11 119.77 3mka h GLN 11 Ca 0.31 0.04 0.15 0.00 -0.15 0.00 0.00 58.65 59.00 3mka h GLN 11 Cb -0.08 0.12 -0.15 0.00 1.07 0.00 0.00 27.48 28.44 3mka h GLN 11 CO -0.06 -0.35 -0.28 0.00 -2.65 0.00 0.00 178.83 175.48 3mka n ALA 12 N -2.38 0.03 -0.19 3.38 0.00 0.28 0.30 120.51 121.93 3mka n ALA 12 Ca -0.07 0.90 -0.02 0.00 0.00 0.00 0.00 53.44 54.25 3mka n ALA 12 Cb 0.22 -0.47 0.09 0.00 0.00 0.00 0.00 19.45 19.29 3mka n ALA 12 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3mka h MET 13 N 0.00 0.44 -0.75 0.00 2.86 -1.43 0.00 114.93 116.06 3mka h MET 13 Ca 0.35 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3mka h MET 13 Cb 0.57 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 3mka h MET 13 CO -0.87 0.29 0.45 -0.09 1.06 0.00 0.00 176.91 177.76 3mka h ARG 14 N 0.46 1.01 0.29 1.72 2.43 0.04 0.38 114.38 120.71 3mka h ARG 14 Ca 0.28 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3mka h ARG 14 Cb 0.28 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3mka h ARG 14 CO -0.25 0.71 -0.14 0.93 -1.51 0.00 0.00 179.97 179.72 3mka h GLU 15 N 1.02 -0.37 -0.07 0.20 5.08 -0.72 0.16 114.58 119.88 3mka h GLU 15 Ca 0.27 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.69 3mka h GLU 15 Cb -0.04 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3mka h GLU 15 CO -0.05 -0.11 -0.14 0.00 -1.00 0.00 0.00 179.01 177.71 3mka h ARG 16 N -0.61 -0.20 -0.66 2.33 3.08 -0.84 0.53 114.38 118.01 3mka h ARG 16 Ca -0.04 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.11 3mka h ARG 16 Cb 0.44 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 3mka h ARG 16 CO 0.07 -0.13 0.30 1.03 -1.07 0.00 0.00 179.97 180.17 3mka h SER 17 N -0.21 0.37 0.17 7.04 0.87 -0.20 -1.06 113.55 120.54 3mka h SER 17 Ca 0.07 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3mka h SER 17 Cb 0.31 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3mka h SER 17 CO -0.19 0.22 -0.08 -0.33 -0.53 0.00 0.00 176.83 175.92 3mka h GLU 18 N 0.53 -0.22 -0.76 2.24 4.39 0.23 -0.07 114.58 120.93 3mka h GLU 18 Ca 0.33 0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.21 3mka h GLU 18 Cb 0.36 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.95 3mka h GLU 18 CO -0.27 -0.04 0.19 1.25 -1.16 0.00 0.00 179.01 178.98 3mka h LEU 19 N -0.37 0.02 0.61 1.33 6.46 -0.63 0.33 115.31 123.06 3mka h LEU 19 Ca -0.02 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 3mka h LEU 19 Cb 0.29 0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.43 3mka h LEU 19 CO 0.04 -0.05 -0.29 0.00 -0.62 0.00 0.00 178.44 177.52 3mka h ALA 20 N 1.63 -0.97 -0.86 1.25 0.00 -0.98 -2.49 119.26 116.84 3mka h ALA 20 Ca 0.43 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.36 3mka h ALA 20 Cb 0.75 0.32 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 3mka h ALA 20 CO -0.53 -0.91 -0.10 -0.09 0.00 0.00 0.00 179.25 177.62 3mka h ARG 21 N -1.03 0.03 0.36 0.00 2.43 0.09 -0.68 114.38 115.58 3mka h ARG 21 Ca -0.08 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3mka h ARG 21 Cb 0.63 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3mka h ARG 21 CO 0.14 0.02 -0.21 0.87 -1.51 0.00 0.00 179.97 179.28 3mka h LYS 22 N 0.03 -0.52 -0.96 0.20 1.57 -0.39 0.13 116.57 116.64 3mka h LYS 22 Ca 0.46 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.45 3mka h LYS 22 Cb 0.79 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.13 3mka h LYS 22 CO -0.84 -0.35 0.61 0.78 -0.57 0.00 0.00 179.45 179.08 3mka h GLY 23 N -0.54 1.41 0.79 3.86 0.00 -0.70 0.58 103.07 108.47 3mka h GLY 23 Ca -0.04 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 3mka h GLY 23 CO 0.05 0.01 -0.37 -2.22 0.00 0.00 0.00 176.54 174.01 3mka h ILE 24 N 0.68 1.38 -0.84 2.60 2.04 -0.66 -3.15 117.51 119.57 3mka h ILE 24 Ca 0.52 -1.70 0.19 0.00 1.00 0.00 0.00 64.86 64.87 3mka h ILE 24 Cb 0.89 2.17 -0.12 0.00 -0.74 0.00 0.00 36.82 39.03 3mka h ILE 24 CO -0.28 0.50 0.32 0.00 0.00 0.00 0.00 178.15 178.69 3mka h ALA 25 N 0.48 1.25 0.00 1.87 0.00 0.40 -0.01 119.26 123.26 3mka h ALA 25 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mka h ALA 25 Cb 1.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3mka h ALA 25 CO 0.08 -0.32 0.00 -2.13 0.00 0.00 0.00 179.25 176.88 3mka n ARG 26 N -5.07 0.87 -3.89 0.00 0.63 0.08 -3.00 116.66 106.29 3mka n ARG 26 Ca 0.19 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.90 3mka n ARG 26 Cb 0.57 -1.22 -0.05 0.00 0.45 0.00 0.00 32.46 32.21 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 -2.00 3.75 0.97 5.13 0.00 -0.08 -4.92 121.76 124.61 3mka s ALA 27 Ca 0.19 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.26 3mka s ALA 27 Cb 0.08 -0.96 0.14 0.00 0.00 0.00 0.00 23.12 22.39 3mka s ALA 27 CO 0.14 -0.03 0.92 1.63 0.00 0.00 0.00 175.76 178.42 3mka n LYS 28 N -1.32 -0.76 -4.12 0.00 4.01 -1.26 -1.00 118.16 113.71 3mka n LYS 28 Ca -0.01 -0.17 -0.25 0.00 -0.51 0.00 0.00 58.31 57.37 3mka n LYS 28 Cb 0.61 -2.20 -0.05 0.00 -0.51 0.00 0.00 35.03 32.87 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 -2.43 5.41 -0.01 4.39 0.01 -1.26 -3.95 113.70 115.85 3mka s SER 29 Ca 0.64 -0.22 -0.02 0.00 1.31 0.00 0.00 55.95 57.67 3mka s SER 29 Cb -0.22 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.65 3mka s SER 29 CO 0.61 0.03 0.04 -0.69 0.41 0.00 0.00 173.24 173.65 3mka s VAL 30 N -1.91 0.02 0.07 3.43 1.01 0.45 -1.37 120.40 122.09 3mka s VAL 30 Ca 0.31 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.23 3mka s VAL 30 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 3mka s VAL 30 CO 0.23 -0.07 -0.16 0.68 0.00 0.00 0.00 175.10 175.78 3mka s VAL 31 N -0.19 1.29 -0.03 2.92 -7.23 0.12 -1.31 120.40 115.98 3mka s VAL 31 Ca -0.02 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3mka s VAL 31 Cb -0.02 -1.21 0.03 0.00 0.56 0.00 0.00 36.38 35.74 3mka s VAL 31 CO 0.00 -0.14 0.02 0.00 -0.31 0.00 0.00 175.10 174.67 3mka s ALA 32 N -1.18 0.20 0.02 1.32 0.00 0.11 -1.46 121.76 120.78 3mka s ALA 32 Ca 0.01 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 3mka s ALA 32 Cb -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3mka s ALA 32 CO 0.03 -0.10 -0.00 -0.48 0.00 0.00 0.00 175.76 175.21 3mka s LEU 33 N 1.07 2.11 0.45 0.00 0.05 -0.68 0.83 118.68 122.52 3mka s LEU 33 Ca -0.09 -0.42 -0.22 0.00 0.05 0.00 0.00 54.13 53.45 3mka s LEU 33 Cb -0.13 0.19 -0.08 0.00 -2.05 0.00 0.00 46.19 44.11 3mka s LEU 33 CO -0.02 -0.29 1.10 0.00 -0.55 0.00 0.00 176.35 176.58 3mka s ALA 34 N -1.34 2.96 0.28 1.48 0.00 0.15 -1.28 121.76 124.01 3mka s ALA 34 Ca -0.15 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 3mka s ALA 34 Cb -0.09 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3mka s ALA 34 CO -0.01 -0.45 0.62 1.52 0.00 0.00 0.00 175.76 177.44 3mka s TYR 35 N -1.70 0.15 0.26 0.00 -0.85 0.22 -4.87 117.35 110.56 3mka s TYR 35 Ca 0.63 -0.58 -0.05 0.00 -0.52 0.00 0.00 57.07 56.54 3mka s TYR 35 Cb -0.23 0.47 0.29 0.00 0.38 0.00 0.00 41.96 42.86 3mka s TYR 35 CO 0.28 -1.18 1.93 0.00 -1.52 0.00 0.00 175.55 175.07 3mka h ALA 36 N 2.11 1.30 0.00 9.51 0.00 -1.72 0.39 119.26 130.85 3mka h ALA 36 Ca -0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3mka h ALA 36 Cb 1.25 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3mka h ALA 36 CO 0.31 0.65 -0.08 0.78 0.00 0.00 0.00 179.25 180.91 3mka h GLY 37 N 1.34 0.00 0.00 0.00 0.00 -1.94 -3.48 103.07 98.98 3mka h GLY 37 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3mka h GLY 37 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.07 3mka n GLY 38 N -0.55 0.92 3.27 4.60 0.00 0.13 -2.80 105.19 110.76 3mka n GLY 38 Ca -0.01 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 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 2.00 -0.05 1.61 1.01 -0.96 0.71 120.40 124.72 3mka s VAL 39 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3mka s VAL 39 Cb 0.00 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3mka s VAL 39 CO 0.00 0.56 -0.14 -0.22 0.00 0.00 0.00 175.10 175.30 3mka s LEU 40 N -0.28 2.78 -0.16 3.92 2.96 -0.41 -1.23 118.68 126.25 3mka s LEU 40 Ca 0.00 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 3mka s LEU 40 Cb -0.12 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 45.02 3mka s LEU 40 CO 0.02 0.34 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.87 3mka s PHE 41 N -0.75 2.43 -0.05 5.38 0.08 0.08 -1.68 117.98 123.48 3mka s PHE 41 Ca 0.12 -1.41 0.02 0.00 0.12 0.00 0.00 56.93 55.77 3mka s PHE 41 Cb -0.11 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 3mka s PHE 41 CO 0.01 -0.73 -0.08 0.08 -0.10 0.00 0.00 175.22 174.40 3mka s VAL 42 N 1.40 0.78 0.01 -0.44 1.01 -0.54 -1.83 120.40 120.80 3mka s VAL 42 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3mka s VAL 42 Cb -0.13 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3mka s VAL 42 CO -0.12 0.27 -0.02 0.00 0.00 0.00 0.00 175.10 175.24 3mka s ALA 43 N 0.76 0.11 -0.18 5.51 0.00 -0.61 0.13 121.76 127.49 3mka s ALA 43 Ca -0.13 -0.42 -0.26 0.00 0.00 0.00 0.00 51.96 51.16 3mka s ALA 43 Cb -0.15 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3mka s ALA 43 CO 0.02 -0.10 0.86 -1.83 0.00 0.00 0.00 175.76 174.70 3mka s GLU 44 N -1.01 4.29 -0.25 0.00 -1.05 -0.47 -0.86 118.70 119.34 3mka s GLU 44 Ca -0.11 1.06 -0.02 0.00 -0.15 0.00 0.00 54.97 55.75 3mka s GLU 44 Cb -0.07 -3.59 0.14 0.00 -0.44 0.00 0.00 34.13 30.18 3mka s GLU 44 CO -0.01 -0.37 0.42 1.21 0.95 0.00 0.00 175.26 177.46 3mka s ASN 45 N 1.18 -0.04 0.14 0.83 3.84 0.86 -4.50 114.94 117.24 3mka s ASN 45 Ca 0.39 0.34 -0.13 0.00 0.21 0.00 0.00 52.86 53.67 3mka s ASN 45 Cb -0.16 1.30 0.00 0.00 -0.55 0.00 0.00 41.25 41.83 3mka s ASN 45 CO 0.12 -0.29 1.59 1.55 -2.79 0.00 0.00 177.10 177.27 3mka h PRO 46 N 8.15 0.80 -7.05 0.43 0.13 -1.83 -3.18 132.00 129.45 3mka h PRO 46 Ca -0.20 -0.25 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 3mka h PRO 46 Cb 1.16 -0.07 0.11 0.00 0.13 0.00 0.00 31.00 32.33 3mka h PRO 46 CO 0.27 0.86 0.54 0.45 -0.23 0.00 0.00 178.00 179.89 3mka s SER 47 N -6.29 5.45 0.00 1.44 0.15 -1.26 -4.59 113.70 108.60 3mka s SER 47 Ca -0.13 2.56 0.16 0.00 0.70 0.00 0.00 55.95 59.24 3mka s SER 47 Cb 0.11 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.70 3mka s SER 47 CO 0.81 -1.43 0.74 -1.14 1.20 0.00 0.00 173.24 173.42 3mka n ARG 48 N -1.05 1.82 -0.00 5.44 0.63 -1.26 -4.57 116.66 117.66 3mka n ARG 48 Ca 0.11 -0.35 0.05 0.00 -0.92 0.00 0.00 57.85 56.74 3mka n ARG 48 Cb 0.47 -1.25 -0.07 0.00 0.45 0.00 0.00 32.46 32.06 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 -0.83 2.30 -4.34 6.15 7.64 -1.26 -4.96 113.62 118.33 3mka n SER 49 Ca 0.05 -0.16 -0.40 0.00 1.01 0.00 0.00 58.87 59.36 3mka n SER 49 Cb 0.28 1.33 -0.11 0.00 -1.01 0.00 0.00 64.21 64.71 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 -3.38 4.87 0.49 -3.43 1.43 -1.26 -5.09 118.68 112.31 3mka s LEU 50 Ca -0.02 -1.18 -0.19 0.00 -1.03 0.00 0.00 54.13 51.71 3mka s LEU 50 Cb 0.06 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 3mka s LEU 50 CO 0.39 -0.44 1.00 0.00 0.23 0.00 0.00 176.35 177.52 3mka s GLN 51 N 1.51 3.91 0.00 1.70 -2.07 -1.26 -4.87 119.66 118.57 3mka s GLN 51 Ca 0.02 1.17 0.00 0.00 -1.82 0.00 0.00 55.36 54.73 3mka s GLN 51 Cb -0.21 -2.12 0.00 0.00 -1.09 0.00 0.00 33.01 29.59 3mka s GLN 51 CO 0.05 -0.32 0.02 1.63 -1.32 0.00 0.00 175.29 175.36 3mka n LYS 52 N -1.14 3.96 -4.37 9.60 5.02 -1.26 -4.99 118.16 124.97 3mka n LYS 52 Ca 0.08 -0.02 -0.27 0.00 -2.02 0.00 0.00 58.31 56.08 3mka n LYS 52 Cb 0.53 -0.35 -0.17 0.00 -0.02 0.00 0.00 35.03 35.03 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 -0.57 1.24 0.13 -0.18 1.01 -1.26 -1.07 121.20 120.50 3mka s ILE 53 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 3mka s ILE 53 Cb 0.00 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 3mka s ILE 53 CO 0.00 0.39 0.10 -0.44 0.00 0.00 0.00 174.94 174.99 3mka s SER 54 N 1.03 0.26 0.14 3.58 0.01 0.76 -5.00 113.70 114.47 3mka s SER 54 Ca -0.07 -1.11 -0.25 0.00 1.31 0.00 0.00 55.95 55.83 3mka s SER 54 Cb -0.15 0.32 -0.07 0.00 0.21 0.00 0.00 66.02 66.33 3mka s SER 54 CO -0.01 -0.75 0.77 -0.70 0.41 0.00 0.00 173.24 172.95 3mka s GLU 55 N -4.02 4.54 -0.19 12.44 2.12 -1.26 -0.97 118.70 131.37 3mka s GLU 55 Ca 0.21 1.13 -0.10 0.00 0.36 0.00 0.00 54.97 56.57 3mka s GLU 55 Cb 0.07 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 31.09 3mka s GLU 55 CO 0.00 0.51 -0.25 1.28 -0.54 0.00 0.00 175.26 176.26 3mka n LEU 56 N 1.88 1.42 0.00 2.70 4.77 0.04 -4.85 117.00 122.96 3mka n LEU 56 Ca -0.05 0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 56.13 3mka n LEU 56 Cb 0.49 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3mka n LEU 56 CO 0.46 0.32 0.03 0.00 -1.33 0.00 0.00 177.39 176.87 3mka n TYR 57 N -3.92 -0.58 -0.17 -1.77 9.36 -0.94 -4.71 117.16 114.43 3mka n TYR 57 Ca -0.36 -0.66 -0.14 0.00 3.32 0.00 0.00 57.90 60.07 3mka n TYR 57 Cb 0.73 0.13 -0.10 0.00 -0.63 0.00 0.00 39.34 39.47 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 0.53 -1.89 -0.26 2.98 3.32 -1.95 -2.83 116.42 116.32 3mka h ASP 58 Ca -0.07 0.25 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 3mka h ASP 58 Cb 0.32 0.78 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 3mka h ASP 58 CO 0.10 -0.39 -0.05 0.54 -1.72 0.00 0.00 179.24 177.72 3mka n ARG 59 N -5.36 2.19 -4.21 3.56 5.12 -1.26 -1.40 116.66 115.29 3mka n ARG 59 Ca -0.03 -2.97 -0.28 0.00 -1.93 0.00 0.00 57.85 52.63 3mka n ARG 59 Cb 0.33 -1.78 -0.17 0.00 -1.16 0.00 0.00 32.46 29.69 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 -3.03 1.41 0.26 1.55 1.01 -1.07 -1.98 120.40 118.55 3mka s VAL 60 Ca 0.42 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.92 3mka s VAL 60 Cb 0.36 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3mka s VAL 60 CO 0.04 0.43 0.11 -0.83 0.00 0.00 0.00 175.10 174.85 3mka s GLY 61 N 1.28 1.54 -0.02 4.51 0.00 0.18 -0.78 107.32 114.04 3mka s GLY 61 Ca -0.01 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.20 3mka s GLY 61 CO -0.06 -1.58 -0.08 -0.12 0.00 0.00 0.00 173.10 171.26 3mka s PHE 62 N -2.23 0.80 -0.03 1.90 5.36 -0.14 -1.12 117.98 122.52 3mka s PHE 62 Ca 0.33 -0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 56.09 3mka s PHE 62 Cb -0.07 -0.55 0.01 0.00 -0.34 0.00 0.00 43.02 42.07 3mka s PHE 62 CO 0.23 -0.06 0.10 0.00 -1.46 0.00 0.00 175.22 174.03 3mka s ALA 63 N 0.03 -0.24 0.14 11.12 0.00 -0.37 -0.17 121.76 132.27 3mka s ALA 63 Ca -0.00 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 3mka s ALA 63 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3mka s ALA 63 CO -0.00 -0.08 0.18 0.00 0.00 0.00 0.00 175.76 175.86 3mka s ALA 64 N -0.26 0.34 -0.02 0.00 0.00 -0.23 -0.63 121.76 120.96 3mka s ALA 64 Ca -0.03 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 3mka s ALA 64 Cb -0.02 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.92 3mka s ALA 64 CO 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 175.76 175.26 3mka s ALA 65 N -3.99 -0.15 0.00 0.00 0.00 -0.63 -4.85 121.76 112.14 3mka s ALA 65 Ca 0.19 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3mka s ALA 65 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3mka s ALA 65 CO -0.00 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.14 3mka n GLY 66 N 3.03 0.78 3.67 0.00 0.00 -1.26 -1.04 105.19 110.37 3mka n GLY 66 Ca -0.12 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 4.24 0.09 1.61 2.20 -0.18 -4.90 119.74 120.80 3mka s LYS 67 Ca 0.00 1.89 -0.36 0.00 -0.36 0.00 0.00 55.97 57.14 3mka s LYS 67 Cb 0.00 -3.77 -0.17 0.00 -1.51 0.00 0.00 37.83 32.38 3mka s LYS 67 CO 0.00 -0.70 1.56 0.35 -0.36 0.00 0.00 175.35 176.20 3mka h PHE 68 N 8.46 -1.44 -0.91 4.03 3.57 -1.96 -1.76 116.94 126.93 3mka h PHE 68 Ca -0.33 0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.43 3mka h PHE 68 Cb 1.15 0.57 -0.05 0.00 2.79 0.00 0.00 35.95 40.41 3mka h PHE 68 CO 0.81 -0.67 0.63 -2.95 -2.23 0.00 0.00 178.31 173.91 3mka h ASN 69 N -0.97 0.13 0.14 0.41 7.08 -1.99 0.92 115.58 121.29 3mka h ASN 69 Ca -0.05 0.02 -0.25 0.00 -3.08 0.00 0.00 56.30 52.93 3mka h ASN 69 Cb 0.86 -0.01 0.01 0.00 -2.08 0.00 0.00 38.32 37.11 3mka h ASN 69 CO -0.11 0.05 -0.99 -0.33 -2.08 0.00 0.00 177.43 173.97 3mka h GLU 70 N 0.13 0.59 0.00 4.14 5.08 -1.82 -3.00 114.58 119.70 3mka h GLU 70 Ca 0.45 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3mka h GLU 70 Cb 1.56 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.99 3mka h GLU 70 CO -0.07 1.23 -0.69 0.27 -1.00 0.00 0.00 179.01 178.76 3mka h PHE 71 N 0.33 0.00 -0.36 4.33 -5.15 -0.41 -3.01 116.94 112.66 3mka h PHE 71 Ca -0.11 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.50 3mka h PHE 71 Cb 1.64 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.80 3mka h PHE 71 CO 0.08 0.00 -0.42 0.22 -2.00 0.00 0.00 178.31 176.19 3mka h ASP 72 N 0.00 0.98 -0.56 -0.68 3.58 -0.96 -0.45 116.42 118.33 3mka h ASP 72 Ca 0.00 -0.47 0.07 0.00 0.42 0.00 0.00 57.03 57.06 3mka h ASP 72 Cb 0.80 -0.28 -0.06 0.00 1.72 0.00 0.00 39.33 41.51 3mka h ASP 72 CO 0.00 1.26 0.24 -1.13 -2.88 0.00 0.00 179.24 176.73 3mka h ASN 73 N 0.73 0.29 1.21 2.28 -0.73 -1.54 -0.70 115.58 117.13 3mka h ASN 73 Ca 0.05 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.23 3mka h ASN 73 Cb 1.02 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.61 3mka h ASN 73 CO 0.10 0.19 -0.24 -0.07 -0.37 0.00 0.00 177.43 177.04 3mka h LEU 74 N 0.45 0.00 -0.11 0.34 4.07 -1.37 -2.61 115.31 116.09 3mka h LEU 74 Ca 0.27 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.13 3mka h LEU 74 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3mka h LEU 74 CO -0.24 0.24 -0.31 -0.09 -1.08 0.00 0.00 178.44 176.96 3mka h ARG 75 N 0.00 0.40 0.01 1.13 2.43 0.18 -2.32 114.38 116.21 3mka h ARG 75 Ca -0.00 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 58.90 3mka h ARG 75 Cb 0.90 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 3mka h ARG 75 CO 0.03 0.90 -0.12 0.00 -1.51 0.00 0.00 179.97 179.27 3mka h ARG 76 N -0.04 -0.21 0.00 0.20 3.08 -1.18 -0.91 114.38 115.33 3mka h ARG 76 Ca -0.01 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3mka h ARG 76 Cb 0.93 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3mka h ARG 76 CO 0.07 -0.14 -0.14 0.78 -1.07 0.00 0.00 179.97 179.47 3mka h GLY 77 N -0.22 0.00 1.86 0.04 0.00 -1.51 -0.10 103.07 103.15 3mka h GLY 77 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.18 3mka h GLY 77 CO -0.12 0.00 -0.87 -1.33 0.00 0.00 0.00 176.54 174.22 3mka h GLY 78 N 0.63 0.14 1.55 4.60 0.00 -0.79 -0.91 103.07 108.28 3mka h GLY 78 Ca -0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 3mka h GLY 78 CO 0.02 0.23 -0.43 -2.22 0.00 0.00 0.00 176.54 174.14 3mka h ILE 79 N 0.07 1.31 -0.41 2.60 2.04 -0.03 -1.24 117.51 121.84 3mka h ILE 79 Ca -0.03 -1.60 -0.13 0.00 1.00 0.00 0.00 64.86 64.10 3mka h ILE 79 Cb 1.51 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 3mka h ILE 79 CO 0.13 0.50 -0.25 1.56 0.00 0.00 0.00 178.15 180.09 3mka h GLN 80 N 0.40 0.89 -0.33 2.37 4.20 -0.86 -1.83 115.11 119.95 3mka h GLN 80 Ca 0.03 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.28 3mka h GLN 80 Cb 0.92 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3mka h GLN 80 CO 0.08 1.06 0.01 0.35 -0.67 0.00 0.00 178.83 179.66 3mka h PHE 81 N 0.70 0.63 -0.42 2.96 3.57 -1.09 -2.01 116.94 121.29 3mka h PHE 81 Ca 0.08 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 3mka h PHE 81 Cb 0.82 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3mka h PHE 81 CO 0.06 0.69 -0.10 0.00 -2.23 0.00 0.00 178.31 176.73 3mka h ALA 82 N 0.86 0.58 -0.34 2.41 0.00 -1.19 -1.82 119.26 119.76 3mka h ALA 82 Ca 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3mka h ALA 82 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3mka h ALA 82 CO 0.01 0.45 0.16 -0.44 0.00 0.00 0.00 179.25 179.43 3mka h ASP 83 N 0.63 0.46 -0.73 0.00 3.32 -1.35 -1.31 116.42 117.44 3mka h ASP 83 Ca 0.11 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3mka h ASP 83 Cb 0.62 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3mka h ASP 83 CO 0.04 0.47 0.45 0.74 -1.72 0.00 0.00 179.24 179.22 3mka h THR 84 N 0.41 1.21 -0.04 0.35 2.02 -1.26 -0.85 112.91 114.75 3mka h THR 84 Ca 0.12 -0.44 -0.15 0.00 0.77 0.00 0.00 66.41 66.70 3mka h THR 84 Cb 0.14 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3mka h THR 84 CO -0.01 0.21 -0.67 0.03 0.37 0.00 0.00 175.52 175.45 3mka h ARG 85 N 1.00 0.16 0.00 6.66 2.47 -1.25 -0.99 114.38 122.43 3mka h ARG 85 Ca 0.26 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.83 3mka h ARG 85 Cb -0.04 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 3mka h ARG 85 CO -0.05 0.77 -0.12 0.78 0.56 0.00 0.00 179.97 181.91 3mka h GLY 86 N 1.68 0.00 0.28 0.04 0.00 -0.80 -2.24 103.07 102.03 3mka h GLY 86 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 3mka h GLY 86 CO 0.10 0.00 -0.96 -1.82 0.00 0.00 0.00 176.54 173.86 3mka h TYR 87 N 0.00 0.22 0.00 5.60 3.20 -0.86 -3.14 116.97 121.99 3mka h TYR 87 Ca -0.00 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 3mka h TYR 87 Cb 0.75 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 3mka h TYR 87 CO 0.00 1.38 -0.11 0.00 -1.64 0.00 0.00 178.16 177.78 3mka h ALA 88 N -0.14 1.38 -3.00 1.82 0.00 -1.16 -3.43 119.26 114.72 3mka h ALA 88 Ca -0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3mka h ALA 88 Cb 1.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3mka h ALA 88 CO -0.02 0.14 0.00 0.66 0.00 0.00 0.00 179.25 180.03 3mka n TYR 89 N -3.77 0.00 -4.19 0.00 4.01 -0.85 -5.09 117.16 107.27 3mka n TYR 89 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.58 3mka n TYR 89 Cb 0.22 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 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 1.48 0.37 7.72 2.15 -1.24 -4.92 116.67 123.24 3mka s ASP 90 Ca 0.00 -0.91 0.15 0.00 0.43 0.00 0.00 52.55 52.22 3mka s ASP 90 Cb 0.00 0.02 0.99 0.00 -0.30 0.00 0.00 42.92 43.64 3mka s ASP 90 CO 0.00 -0.32 1.79 0.03 -0.17 0.00 0.00 175.17 176.49 3mka h ARG 91 N 3.22 0.49 0.00 4.34 3.08 -1.87 0.12 114.38 123.76 3mka h ARG 91 Ca -0.37 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3mka h ARG 91 Cb 1.18 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3mka h ARG 91 CO 0.58 0.32 0.00 -2.13 -1.07 0.00 0.00 179.97 177.68 3mka n ARG 92 N -4.66 0.34 0.00 0.04 3.00 -1.26 -2.44 116.66 111.69 3mka n ARG 92 Ca 0.24 0.08 0.11 0.00 -0.00 0.00 0.00 57.85 58.28 3mka n ARG 92 Cb 0.76 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.72 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 -1.19 0.84 -4.67 6.15 8.00 0.43 -4.87 116.55 121.24 3mka n ASP 93 Ca 0.10 -0.75 -0.43 0.00 0.71 0.00 0.00 54.79 54.42 3mka n ASP 93 Cb 0.11 0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 41.93 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 -2.99 4.73 0.20 2.53 1.01 -1.02 -5.03 120.40 119.83 3mka s VAL 94 Ca 0.09 2.01 0.09 0.00 0.00 0.00 0.00 61.98 64.17 3mka s VAL 94 Cb 0.17 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3mka s VAL 94 CO 0.81 -0.10 -0.17 0.42 0.00 0.00 0.00 175.10 176.06 3mka s THR 95 N 2.71 1.89 0.17 3.92 -4.23 -1.26 -5.01 115.64 113.83 3mka s THR 95 Ca 0.45 -2.14 -0.12 0.00 -1.18 0.00 0.00 61.69 58.70 3mka s THR 95 Cb -0.16 -2.01 0.08 0.00 1.34 0.00 0.00 72.50 71.74 3mka s THR 95 CO 0.11 -0.47 1.76 1.23 -0.54 0.00 0.00 174.62 176.71 3mka h GLY 96 N 2.76 0.90 0.14 3.99 0.00 -1.92 -2.25 103.07 106.68 3mka h GLY 96 Ca -0.40 -0.44 0.16 0.00 0.00 0.00 0.00 47.33 46.65 3mka h GLY 96 CO 0.58 0.42 0.43 -0.09 0.00 0.00 0.00 176.54 177.88 3mka h ARG 97 N 0.80 0.56 -0.43 4.80 2.43 -1.95 -0.79 114.38 119.80 3mka h ARG 97 Ca 0.20 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3mka h ARG 97 Cb 0.11 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3mka h ARG 97 CO -0.03 0.37 0.01 1.96 -1.51 0.00 0.00 179.97 180.77 3mka h GLN 98 N 0.58 0.75 -0.68 0.20 4.20 -1.83 -1.01 115.11 117.32 3mka h GLN 98 Ca 0.48 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 3mka h GLN 98 Cb 0.74 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3mka h GLN 98 CO -0.40 0.82 0.34 -0.07 -0.67 0.00 0.00 178.83 178.85 3mka h LEU 99 N 0.59 0.86 -0.14 1.46 -0.00 -1.02 -1.36 115.31 115.71 3mka h LEU 99 Ca 0.12 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 3mka h LEU 99 Cb 0.47 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 3mka h LEU 99 CO 0.02 0.72 -0.03 0.00 -0.00 0.00 0.00 178.44 179.15 3mka h ALA 100 N 1.42 0.19 -0.12 1.53 0.00 -0.91 -1.60 119.26 119.77 3mka h ALA 100 Ca 0.24 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mka h ALA 100 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3mka h ALA 100 CO -0.03 -0.06 0.08 -0.97 0.00 0.00 0.00 179.25 178.26 3mka h ASN 101 N -0.03 0.10 -0.07 0.00 -0.73 -0.97 -0.45 115.58 113.43 3mka h ASN 101 Ca 0.04 -0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.07 3mka h ASN 101 Cb 0.44 -0.02 0.01 0.00 0.27 0.00 0.00 38.32 39.02 3mka h ASN 101 CO 0.01 0.07 -0.50 0.58 -0.37 0.00 0.00 177.43 177.22 3mka h VAL 102 N 0.11 1.39 -0.81 2.57 2.07 -0.84 -2.67 116.25 118.07 3mka h VAL 102 Ca 0.05 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3mka h VAL 102 Cb 0.05 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 3mka h VAL 102 CO -0.01 0.56 0.51 1.88 0.02 0.00 0.00 177.57 180.53 3mka h TYR 103 N 0.02 1.05 -0.18 1.57 0.05 -0.72 -0.06 116.97 118.70 3mka h TYR 103 Ca -0.04 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.79 3mka h TYR 103 Cb 1.16 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 38.51 3mka h TYR 103 CO 0.12 0.69 -0.07 0.00 -1.05 0.00 0.00 178.16 177.85 3mka h ALA 104 N 1.28 0.09 -0.77 3.88 0.00 -1.13 0.28 119.26 122.88 3mka h ALA 104 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3mka h ALA 104 Cb -0.08 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3mka h ALA 104 CO -0.06 -0.50 0.45 0.37 0.00 0.00 0.00 179.25 179.51 3mka h GLN 105 N -0.04 1.05 0.09 0.00 5.75 -1.06 -0.20 115.11 120.69 3mka h GLN 105 Ca 0.10 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3mka h GLN 105 Cb 0.19 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.52 3mka h GLN 105 CO -0.21 0.75 -0.04 1.15 -2.65 0.00 0.00 178.83 177.83 3mka h THR 106 N 1.06 1.12 -0.55 2.39 2.02 -0.44 -0.70 112.91 117.80 3mka h THR 106 Ca 0.27 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 3mka h THR 106 Cb -0.02 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3mka h THR 106 CO -0.05 0.20 0.12 -0.07 0.37 0.00 0.00 175.52 176.09 3mka h LEU 107 N -0.49 0.80 -0.82 2.58 3.38 -0.43 0.15 115.31 120.48 3mka h LEU 107 Ca -0.01 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3mka h LEU 107 Cb 0.41 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3mka h LEU 107 CO 0.02 0.79 0.49 1.23 0.09 0.00 0.00 178.44 181.05 3mka h GLY 108 N 0.98 1.25 1.22 0.83 0.00 -0.90 0.11 103.07 106.57 3mka h GLY 108 Ca 0.18 -0.34 -0.27 0.00 0.00 0.00 0.00 47.33 46.90 3mka h GLY 108 CO 0.00 0.19 -1.04 -0.84 0.00 0.00 0.00 176.54 174.85 3mka h THR 109 N 0.86 1.28 -0.34 4.70 2.02 0.05 -2.92 112.91 118.57 3mka h THR 109 Ca 0.38 -2.25 0.01 0.00 0.77 0.00 0.00 66.41 65.31 3mka h THR 109 Cb 0.26 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 3mka h THR 109 CO -0.21 0.70 0.21 0.40 0.37 0.00 0.00 175.52 177.00 3mka h ILE 110 N 0.39 1.07 -0.80 3.11 2.04 -0.26 -0.21 117.51 122.84 3mka h ILE 110 Ca -0.13 -0.15 0.15 0.00 1.00 0.00 0.00 64.86 65.73 3mka h ILE 110 Cb 1.69 0.59 -0.10 0.00 -0.74 0.00 0.00 36.82 38.27 3mka h ILE 110 CO 0.20 0.08 0.36 0.15 0.00 0.00 0.00 178.15 178.94 3mka h PHE 111 N 0.44 0.61 0.03 1.37 3.57 -0.80 -0.97 116.94 121.19 3mka h PHE 111 Ca 0.13 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.41 3mka h PHE 111 Cb -0.03 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3mka h PHE 111 CO -0.06 0.09 -1.30 1.15 -2.23 0.00 0.00 178.31 175.96 3mka h THR 112 N 0.50 1.37 0.00 4.41 2.02 -1.28 -3.42 112.91 116.50 3mka h THR 112 Ca 0.45 -3.09 -0.00 0.00 0.77 0.00 0.00 66.41 64.53 3mka h THR 112 Cb 0.69 2.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.83 3mka h THR 112 CO -0.41 0.82 -1.37 -0.62 0.37 0.00 0.00 175.52 174.31 3mka n GLU 113 N -3.31 0.30 -1.97 6.66 -0.58 -0.12 -5.04 120.64 116.58 3mka n GLU 113 Ca -0.08 -0.07 -0.32 0.00 -0.42 0.00 0.00 57.16 56.27 3mka n GLU 113 Cb 0.99 -1.19 0.01 0.00 -0.57 0.00 0.00 31.44 30.68 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 -2.55 3.41 0.47 3.49 -1.52 -0.39 -4.95 119.66 117.62 3mka s GLN 114 Ca -0.03 1.00 0.12 0.00 -1.95 0.00 0.00 55.36 54.50 3mka s GLN 114 Cb 0.05 -2.05 1.07 0.00 -0.22 0.00 0.00 33.01 31.85 3mka s GLN 114 CO 0.33 -0.72 2.10 0.00 -0.25 0.00 0.00 175.29 176.75 3mka h ALA 115 N 0.12 1.85 -3.76 6.09 0.00 -1.96 -3.42 119.26 118.17 3mka h ALA 115 Ca -0.46 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.12 3mka h ALA 115 Cb 1.20 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.65 3mka h ALA 115 CO 0.59 0.14 -0.75 0.21 0.00 0.00 0.00 179.25 179.44 3mka s LYS 116 N -5.23 0.43 0.85 0.00 2.20 -1.26 -5.14 119.74 111.60 3mka s LYS 116 Ca -0.06 -0.29 -0.13 0.00 -0.36 0.00 0.00 55.97 55.13 3mka s LYS 116 Cb 0.17 -0.38 0.12 0.00 -1.51 0.00 0.00 37.83 36.24 3mka s LYS 116 CO 0.70 0.10 1.21 -1.25 -0.36 0.00 0.00 175.35 175.75 3mka s PRO 117 N -0.40 1.48 -0.08 4.03 0.04 -1.26 -4.86 135.00 133.94 3mka s PRO 117 Ca -0.00 -0.16 -0.25 0.00 0.04 0.00 0.00 61.00 60.62 3mka s PRO 117 Cb -0.04 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 3mka s PRO 117 CO -0.00 -1.87 0.79 0.71 0.04 0.00 0.00 177.00 176.67 3mka s TYR 118 N -3.65 3.56 -1.35 0.56 1.51 -1.26 -4.93 117.35 111.78 3mka s TYR 118 Ca 0.66 1.34 -0.11 0.00 -1.01 0.00 0.00 57.07 57.96 3mka s TYR 118 Cb -0.08 -2.92 0.12 0.00 -0.11 0.00 0.00 41.96 38.96 3mka s TYR 118 CO 0.50 -0.01 2.04 0.39 -1.11 0.00 0.00 175.55 177.36 3mka n GLU 119 N 4.15 3.38 -3.85 -0.62 1.02 -1.26 -4.69 120.64 118.77 3mka n GLU 119 Ca 0.02 -3.17 -0.09 0.00 -0.02 0.00 0.00 57.16 53.90 3mka n GLU 119 Cb 0.51 -3.04 -0.07 0.00 -0.02 0.00 0.00 31.44 28.81 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 1.36 0.14 -0.01 2.62 -7.23 -1.26 -1.01 120.40 115.01 3mka s VAL 120 Ca 0.43 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3mka s VAL 120 Cb 0.12 -1.29 0.02 0.00 0.56 0.00 0.00 36.38 35.78 3mka s VAL 120 CO -0.03 -0.62 0.03 -0.70 -0.31 0.00 0.00 175.10 173.46 3mka s GLU 121 N -3.74 -0.01 0.07 4.82 2.12 -0.20 -3.03 118.70 118.73 3mka s GLU 121 Ca 0.04 0.11 -0.00 0.00 0.36 0.00 0.00 54.97 55.48 3mka s GLU 121 Cb 0.04 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 3mka s GLU 121 CO -0.10 -0.09 -0.04 -0.48 -0.54 0.00 0.00 175.26 174.01 3mka s LEU 122 N 0.56 2.46 -0.09 2.70 0.05 -0.40 -1.61 118.68 122.36 3mka s LEU 122 Ca -0.05 -1.01 0.04 0.00 0.05 0.00 0.00 54.13 53.16 3mka s LEU 122 Cb -0.07 0.13 0.00 0.00 -2.05 0.00 0.00 46.19 44.21 3mka s LEU 122 CO -0.02 -0.57 -0.20 0.00 -0.55 0.00 0.00 176.35 175.01 3mka s VAL 124 N 0.39 2.75 -0.01 0.00 1.01 -0.69 -1.24 120.40 122.61 3mka s VAL 124 Ca -0.16 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3mka s VAL 124 Cb -0.17 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3mka s VAL 124 CO 0.07 0.49 -0.23 0.00 0.00 0.00 0.00 175.10 175.43 3mka s ALA 125 N 1.20 1.94 -0.08 5.51 0.00 -0.28 -1.21 121.76 128.83 3mka s ALA 125 Ca 0.02 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3mka s ALA 125 Cb -0.14 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.51 3mka s ALA 125 CO -0.05 0.47 -0.08 -2.00 0.00 0.00 0.00 175.76 174.10 3mka s GLU 126 N -0.60 1.43 0.44 0.00 2.12 -0.76 0.51 118.70 121.83 3mka s GLU 126 Ca 0.09 -0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.24 3mka s GLU 126 Cb -0.09 -1.38 0.02 0.00 0.26 0.00 0.00 34.13 32.94 3mka s GLU 126 CO -0.01 -0.14 0.59 0.14 -0.54 0.00 0.00 175.26 175.30 3mka s VAL 127 N 1.26 2.86 0.88 3.70 -7.23 -0.84 -1.72 120.40 119.31 3mka s VAL 127 Ca -0.04 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.99 3mka s VAL 127 Cb -0.14 -2.88 0.12 0.00 0.56 0.00 0.00 36.38 34.04 3mka s VAL 127 CO -0.03 0.00 1.11 0.00 -0.31 0.00 0.00 175.10 175.88 3mka s ALA 128 N -2.40 1.83 0.46 1.32 0.00 -1.26 -4.87 121.76 116.83 3mka s ALA 128 Ca 0.55 -0.36 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 3mka s ALA 128 Cb -0.09 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 19.85 3mka s ALA 128 CO 0.33 -2.16 0.97 -1.01 0.00 0.00 0.00 175.76 173.90 3mka s HIS 129 N -3.18 3.27 -0.33 0.00 3.76 -1.26 -4.74 115.29 112.82 3mka s HIS 129 Ca 0.63 1.58 -0.43 0.00 -0.15 0.00 0.00 55.06 56.69 3mka s HIS 129 Cb -0.15 -2.88 -0.18 0.00 1.11 0.00 0.00 32.58 30.48 3mka s HIS 129 CO 0.54 -0.30 1.62 0.98 -0.85 0.00 0.00 174.74 176.73 3mka n TYR 130 N -0.88 1.82 0.00 1.40 9.36 -1.26 0.29 117.16 127.88 3mka n TYR 130 Ca 0.07 0.83 0.00 0.00 3.32 0.00 0.00 57.90 62.12 3mka n TYR 130 Cb 0.54 -2.34 0.00 0.00 -0.63 0.00 0.00 39.34 36.91 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 3.85 2.90 3.82 2.98 0.00 -1.26 -5.04 105.19 112.44 3mka n GLY 131 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.07 1.09 -0.32 1.61 2.02 0.14 -5.04 118.70 118.13 3mka s GLU 132 Ca 0.00 0.13 -0.01 0.00 0.02 0.00 0.00 54.97 55.11 3mka s GLU 132 Cb 0.00 -1.85 0.11 0.00 0.10 0.00 0.00 34.13 32.49 3mka s GLU 132 CO 0.00 -2.20 0.13 0.95 0.02 0.00 0.00 175.26 174.16 3mka s THR 133 N -3.41 0.69 -0.00 3.63 -4.23 -1.26 -4.75 115.64 106.31 3mka s THR 133 Ca 0.65 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 3mka s THR 133 Cb -0.12 -1.52 -0.00 0.00 1.34 0.00 0.00 72.50 72.19 3mka s THR 133 CO 0.52 -0.74 -0.03 -0.75 -0.54 0.00 0.00 174.62 173.08 3mka s LYS 134 N 1.52 0.27 0.17 3.99 2.20 -1.26 -5.10 119.74 121.54 3mka s LYS 134 Ca 0.11 -0.14 -0.31 0.00 -0.36 0.00 0.00 55.97 55.27 3mka s LYS 134 Cb -0.18 -0.25 -0.10 0.00 -1.51 0.00 0.00 37.83 35.79 3mka s LYS 134 CO -0.22 0.07 1.49 1.03 -0.36 0.00 0.00 175.35 177.35 3mka s ARG 135 N -0.13 4.26 1.01 4.03 0.52 -1.26 -4.37 118.95 123.00 3mka s ARG 135 Ca 0.01 2.27 -0.14 0.00 -0.52 0.00 0.00 55.73 57.34 3mka s ARG 135 Cb -0.02 -3.17 0.07 0.00 0.52 0.00 0.00 34.95 32.36 3mka s ARG 135 CO -0.00 -0.51 0.33 -2.30 0.02 0.00 0.00 175.30 172.84 3mka n PRO 136 N 3.53 -0.76 -4.62 3.54 -0.02 -1.26 -4.87 135.00 130.55 3mka n PRO 136 Ca 0.11 -0.19 -0.23 0.00 -2.02 0.00 0.00 63.50 61.18 3mka n PRO 136 Cb 0.40 -1.84 -0.15 0.00 -0.02 0.00 0.00 33.50 31.90 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 -3.64 1.18 -0.00 -0.52 2.02 -0.70 -5.00 118.70 112.04 3mka s GLU 137 Ca 0.57 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.93 3mka s GLU 137 Cb -0.18 -1.17 -0.00 0.00 0.10 0.00 0.00 34.13 32.87 3mka s GLU 137 CO 0.67 0.31 -0.04 -0.51 0.02 0.00 0.00 175.26 175.71 3mka s LEU 138 N -0.64 1.99 0.02 1.80 1.43 -1.25 -1.83 118.68 120.20 3mka s LEU 138 Ca 0.05 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3mka s LEU 138 Cb -0.07 -0.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.92 3mka s LEU 138 CO 0.00 0.05 -0.08 -0.31 0.23 0.00 0.00 176.35 176.24 3mka s TYR 139 N -0.08 0.67 -0.04 0.29 2.02 -0.35 -1.48 117.35 118.38 3mka s TYR 139 Ca 0.01 -0.29 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 3mka s TYR 139 Cb -0.02 -0.41 -0.01 0.00 -0.40 0.00 0.00 41.96 41.12 3mka s TYR 139 CO -0.00 -0.03 -0.23 0.50 -1.57 0.00 0.00 175.55 174.22 3mka s ARG 140 N -0.85 2.17 -0.13 -0.62 3.52 -0.32 -1.70 118.95 121.03 3mka s ARG 140 Ca -0.03 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 54.77 3mka s ARG 140 Cb -0.06 -1.92 0.02 0.00 -1.56 0.00 0.00 34.95 31.43 3mka s ARG 140 CO 0.00 0.39 -0.15 0.42 -0.81 0.00 0.00 175.30 175.15 3mka s ILE 141 N -0.24 1.52 0.69 4.11 1.09 0.13 -0.56 121.20 127.95 3mka s ILE 141 Ca 0.00 -0.63 -0.07 0.00 -1.10 0.00 0.00 60.65 58.85 3mka s ILE 141 Cb -0.12 -1.41 0.05 0.00 -1.06 0.00 0.00 42.46 39.92 3mka s ILE 141 CO 0.02 0.45 1.01 0.42 -0.10 0.00 0.00 174.94 176.74 3mka s THR 142 N 1.23 2.53 0.38 2.92 -4.23 -0.36 -1.28 115.64 116.82 3mka s THR 142 Ca -0.01 -0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.38 3mka s THR 142 Cb -0.14 -3.09 0.27 0.00 1.34 0.00 0.00 72.50 70.88 3mka s THR 142 CO -0.06 -0.10 2.03 0.10 -0.54 0.00 0.00 174.62 176.05 3mka h TYR 143 N -0.57 0.66 0.00 3.99 -0.00 -1.81 0.13 116.97 119.36 3mka h TYR 143 Ca -0.45 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.28 3mka h TYR 143 Cb 1.31 -0.22 -0.00 0.00 0.00 0.00 0.00 36.73 37.81 3mka h TYR 143 CO 0.36 0.41 -0.08 0.22 -0.00 0.00 0.00 178.16 179.07 3mka h ASP 144 N 0.70 0.00 0.00 0.10 -0.00 -1.89 -3.41 116.42 111.93 3mka h ASP 144 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 3mka h ASP 144 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.29 3mka h ASP 144 CO -0.05 0.08 0.00 0.61 -0.00 0.00 0.00 179.24 179.88 3mka n GLY 145 N -0.78 0.79 3.77 -0.78 0.00 0.46 -4.21 105.19 104.44 3mka n GLY 145 Ca -0.02 0.00 -0.37 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 -2.42 6.22 -0.03 1.61 0.01 -1.26 -4.66 113.70 113.17 3mka s SER 146 Ca 0.00 2.23 0.04 0.00 1.31 0.00 0.00 55.95 59.53 3mka s SER 146 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 3mka s SER 146 CO 0.00 -0.88 -0.16 -0.51 0.41 0.00 0.00 173.24 172.10 3mka s ILE 147 N -1.61 1.34 -0.02 1.44 2.07 -1.26 -1.23 121.20 121.93 3mka s ILE 147 Ca 0.64 -0.68 0.04 0.00 -1.41 0.00 0.00 60.65 59.24 3mka s ILE 147 Cb -0.26 -1.14 -0.01 0.00 0.13 0.00 0.00 42.46 41.18 3mka s ILE 147 CO 0.32 0.39 -0.14 0.00 -1.91 0.00 0.00 174.94 173.60 3mka s ALA 148 N -0.07 1.21 -0.71 1.50 0.00 0.28 -4.96 121.76 119.01 3mka s ALA 148 Ca -0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 3mka s ALA 148 Cb -0.10 -0.36 0.10 0.00 0.00 0.00 0.00 23.12 22.77 3mka s ALA 148 CO 0.01 0.26 0.90 0.34 0.00 0.00 0.00 175.76 177.27 3mka s ASP 149 N -0.13 6.31 -0.18 0.00 -1.08 -1.26 -1.17 116.67 119.16 3mka s ASP 149 Ca 0.01 -1.48 -0.18 0.00 -0.52 0.00 0.00 52.55 50.38 3mka s ASP 149 Cb -0.08 -2.36 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 3mka s ASP 149 CO 0.00 -1.20 0.49 -1.61 0.52 0.00 0.00 175.17 173.38 3mka s GLU 150 N 3.06 4.23 0.19 4.34 0.41 -0.55 -5.00 118.70 125.38 3mka s GLU 150 Ca 0.21 0.39 -0.03 0.00 -0.41 0.00 0.00 54.97 55.13 3mka s GLU 150 Cb -0.16 -3.53 0.13 0.00 -1.78 0.00 0.00 34.13 28.79 3mka s GLU 150 CO 0.03 -0.06 1.51 -1.35 -0.49 0.00 0.00 175.26 174.91 3mka h PRO 151 N 7.26 0.55 0.00 0.39 0.11 -1.97 -3.31 132.00 135.03 3mka h PRO 151 Ca -0.36 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.41 3mka h PRO 151 Cb 1.16 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3mka h PRO 151 CO 0.74 0.95 -0.69 0.72 -0.21 0.00 0.00 178.00 179.50 3mka n HIS 152 N -3.96 0.00 -3.87 0.65 8.25 -1.26 -4.86 115.22 110.17 3mka n HIS 152 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 3mka n HIS 152 Cb 0.60 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.69 0.04 0.01 4.41 -0.12 -1.26 0.34 117.98 119.71 3mka s PHE 153 Ca 0.00 -0.42 -0.01 0.00 -0.05 0.00 0.00 56.93 56.45 3mka s PHE 153 Cb 0.00 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 3mka s PHE 153 CO 0.00 -1.02 0.00 0.08 -0.05 0.00 0.00 175.22 174.23 3mka s VAL 154 N -3.94 0.07 -0.02 -2.49 1.01 0.24 -4.89 120.40 110.38 3mka s VAL 154 Ca 0.14 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3mka s VAL 154 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.17 3mka s VAL 154 CO 0.04 -0.30 -0.08 -0.69 0.00 0.00 0.00 175.10 174.07 3mka s VAL 155 N -0.89 0.70 0.07 2.92 1.01 -1.26 -0.71 120.40 122.24 3mka s VAL 155 Ca -0.10 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 3mka s VAL 155 Cb -0.06 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.72 3mka s VAL 155 CO -0.00 0.22 0.30 -0.04 0.00 0.00 0.00 175.10 175.58 3mka s MET 156 N 0.16 0.87 0.00 2.72 -1.94 -0.42 -5.01 119.30 115.67 3mka s MET 156 Ca -0.02 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 3mka s MET 156 Cb -0.07 0.37 0.00 0.00 2.01 0.00 0.00 34.83 37.14 3mka s MET 156 CO 0.00 -0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.13 3mka n GLY 157 N 0.30 -0.16 7.00 -0.03 0.00 -1.26 -0.42 105.19 110.62 3mka n GLY 157 Ca -0.17 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.49 2.02 3.49 -0.02 0.00 -0.17 -4.26 105.19 106.74 3mka n GLY 158 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 5.08 -0.14 2.61 -4.23 -1.26 -4.44 115.64 113.26 3mka s THR 159 Ca 0.00 -0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 60.04 3mka s THR 159 Cb 0.00 -4.04 -0.24 0.00 1.34 0.00 0.00 72.50 69.56 3mka s THR 159 CO 0.00 -0.41 0.43 0.71 -0.54 0.00 0.00 174.62 174.81 3mka h THR 160 N 5.72 0.98 -0.72 3.99 1.35 -1.94 -3.41 112.91 118.89 3mka h THR 160 Ca -0.27 -2.32 0.12 0.00 -0.55 0.00 0.00 66.41 63.40 3mka h THR 160 Cb 1.11 2.57 -0.12 0.00 -1.73 0.00 0.00 68.15 69.98 3mka h THR 160 CO 0.79 0.61 -0.24 -0.62 -0.25 0.00 0.00 175.52 175.81 3mka n GLU 161 N -4.06 -0.13 0.18 4.72 4.71 -1.26 0.61 120.64 125.42 3mka n GLU 161 Ca -0.27 1.11 -0.15 0.00 -0.01 0.00 0.00 57.16 57.84 3mka n GLU 161 Cb 0.83 -1.65 -0.07 0.00 -1.01 0.00 0.00 31.44 29.54 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 -0.65 -0.64 3.49 0.13 -1.93 0.54 132.00 132.94 3mka h PRO 162 Ca 0.29 0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.52 3mka h PRO 162 Cb 0.47 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 3mka h PRO 162 CO -0.72 -0.43 0.35 0.82 -0.23 0.00 0.00 178.00 177.79 3mka h ILE 163 N -0.67 0.97 0.45 -3.56 2.04 -0.67 0.31 117.51 116.37 3mka h ILE 163 Ca -0.00 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3mka h ILE 163 Cb 0.64 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3mka h ILE 163 CO -0.11 0.12 -0.27 0.00 0.00 0.00 0.00 178.15 177.89 3mka h ALA 164 N 1.33 -0.68 -0.61 1.87 0.00 0.42 -1.44 119.26 120.16 3mka h ALA 164 Ca 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3mka h ALA 164 Cb 0.17 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3mka h ALA 164 CO -0.17 -0.89 0.25 -0.91 0.00 0.00 0.00 179.25 177.53 3mka h ASN 165 N -0.68 0.83 -0.93 0.00 2.35 -0.59 0.37 115.58 116.93 3mka h ASN 165 Ca -0.05 -0.16 0.14 0.00 -0.55 0.00 0.00 56.30 55.68 3mka h ASN 165 Cb 0.55 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 38.62 3mka h ASN 165 CO 0.05 0.77 0.54 0.00 -1.65 0.00 0.00 177.43 177.15 3mka h ALA 166 N 1.10 1.44 0.03 -0.83 0.00 -0.29 0.11 119.26 120.81 3mka h ALA 166 Ca 0.20 0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.91 3mka h ALA 166 Cb 0.19 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3mka h ALA 166 CO -0.02 0.04 -1.07 1.25 0.00 0.00 0.00 179.25 179.45 3mka h LEU 167 N 0.79 0.77 -0.66 0.00 5.85 -0.35 -2.82 115.31 118.89 3mka h LEU 167 Ca 0.50 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3mka h LEU 167 Cb 0.64 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3mka h LEU 167 CO -0.33 1.45 0.40 0.50 -0.34 0.00 0.00 178.44 180.12 3mka h LYS 168 N 0.31 0.76 -0.52 1.25 3.64 0.14 0.19 116.57 122.34 3mka h LYS 168 Ca -0.13 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 3mka h LYS 168 Cb 1.72 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.35 3mka h LYS 168 CO 0.20 0.51 -0.09 0.93 -2.27 0.00 0.00 179.45 178.73 3mka h GLU 169 N 0.79 0.98 -0.20 1.90 4.39 -0.90 -3.32 114.58 118.22 3mka h GLU 169 Ca 0.27 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3mka h GLU 169 Cb 0.04 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3mka h GLU 169 CO -0.11 1.03 0.00 -1.13 -1.16 0.00 0.00 179.01 177.63 3mka n SER 170 N -4.20 3.02 -4.75 1.42 3.41 -1.00 -5.01 113.62 106.50 3mka n SER 170 Ca 0.01 -1.95 -0.41 0.00 -0.26 0.00 0.00 58.87 56.26 3mka n SER 170 Cb 0.38 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.77 3.10 -0.04 7.33 5.04 0.62 -5.04 117.35 126.59 3mka s TYR 171 Ca 0.34 1.25 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 3mka s TYR 171 Cb 0.21 -3.70 0.00 0.00 0.35 0.00 0.00 41.96 38.83 3mka s TYR 171 CO 0.31 -2.09 -0.13 0.00 -1.34 0.00 0.00 175.55 172.29 3mka s ALA 172 N -0.49 1.22 0.19 3.97 0.00 -1.26 -5.07 121.76 120.32 3mka s ALA 172 Ca 0.54 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 3mka s ALA 172 Cb -0.40 -0.45 0.11 0.00 0.00 0.00 0.00 23.12 22.38 3mka s ALA 172 CO 0.46 0.19 1.74 0.93 0.00 0.00 0.00 175.76 179.08 3mka h GLU 173 N 6.48 1.06 -0.34 0.00 5.08 -1.96 -3.33 114.58 121.56 3mka h GLU 173 Ca -0.32 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 57.64 3mka h GLU 173 Cb 1.18 -0.16 -0.11 0.00 0.50 0.00 0.00 28.75 30.15 3mka h GLU 173 CO 0.48 0.90 -0.15 0.09 -1.00 0.00 0.00 179.01 179.32 3mka n ASN 174 N -4.34 2.56 -4.76 1.42 4.13 -1.26 -4.27 115.26 108.74 3mka n ASN 174 Ca 0.05 -3.81 -0.39 0.00 1.68 0.00 0.00 54.58 52.11 3mka n ASN 174 Cb 0.20 -0.62 0.03 0.00 -1.54 0.00 0.00 39.78 37.85 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 -3.28 2.97 0.82 5.41 0.00 -1.25 -4.46 121.76 121.97 3mka s ALA 175 Ca 0.45 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 3mka s ALA 175 Cb 0.41 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 20.05 3mka s ALA 175 CO -0.01 -1.27 1.10 -1.54 0.00 0.00 0.00 175.76 174.03 3mka s SER 176 N -0.82 4.00 0.22 0.00 1.04 -1.26 -3.08 113.70 113.79 3mka s SER 176 Ca 0.68 1.82 -0.09 0.00 0.48 0.00 0.00 55.95 58.84 3mka s SER 176 Cb -0.41 -2.46 0.23 0.00 0.10 0.00 0.00 66.02 63.48 3mka s SER 176 CO 0.50 -2.36 1.86 0.25 0.98 0.00 0.00 173.24 174.47 3mka h LEU 177 N -1.35 0.78 -0.42 2.42 5.85 -1.97 0.92 115.31 121.54 3mka h LEU 177 Ca -0.45 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 3mka h LEU 177 Cb 1.25 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3mka h LEU 177 CO 0.50 0.53 0.16 0.74 -0.34 0.00 0.00 178.44 180.04 3mka h THR 178 N 0.93 1.20 -0.36 1.05 2.02 -1.91 0.43 112.91 116.27 3mka h THR 178 Ca 0.31 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 3mka h THR 178 Cb 0.04 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3mka h THR 178 CO -0.12 0.23 0.07 -0.78 0.37 0.00 0.00 175.52 175.29 3mka h ASP 179 N 0.53 0.56 -0.70 4.18 1.82 -1.67 -0.75 116.42 120.38 3mka h ASP 179 Ca 0.14 -0.25 -0.06 0.00 -0.39 0.00 0.00 57.03 56.47 3mka h ASP 179 Cb 0.21 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 3mka h ASP 179 CO -0.01 0.66 0.20 0.00 -1.61 0.00 0.00 179.24 178.48 3mka h ALA 180 N 0.92 1.01 -0.61 -0.78 0.00 0.10 -0.86 119.26 119.03 3mka h ALA 180 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3mka h ALA 180 Cb 0.33 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3mka h ALA 180 CO 0.00 0.66 0.35 1.25 0.00 0.00 0.00 179.25 181.51 3mka h LEU 181 N 1.07 0.75 -0.57 0.00 5.85 0.10 -0.83 115.31 121.69 3mka h LEU 181 Ca 0.23 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3mka h LEU 181 Cb 0.33 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3mka h LEU 181 CO -0.00 0.61 0.06 0.03 -0.34 0.00 0.00 178.44 178.80 3mka h ARG 182 N 0.83 0.96 -0.57 1.25 3.08 -0.68 -1.87 114.38 117.38 3mka h ARG 182 Ca 0.22 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3mka h ARG 182 Cb 0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3mka h ARG 182 CO -0.04 0.94 0.26 0.82 -1.07 0.00 0.00 179.97 180.88 3mka h ILE 183 N 0.85 1.21 -0.57 2.04 2.04 -0.79 -2.01 117.51 120.29 3mka h ILE 183 Ca 0.17 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 3mka h ILE 183 Cb 0.47 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3mka h ILE 183 CO 0.02 0.25 0.13 0.00 0.00 0.00 0.00 178.15 178.54 3mka h ALA 184 N 1.10 0.75 -0.80 1.87 0.00 -1.05 -2.48 119.26 118.65 3mka h ALA 184 Ca 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 184 Cb 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3mka h ALA 184 CO -0.02 0.47 0.32 0.28 0.00 0.00 0.00 179.25 180.30 3mka h VAL 185 N 0.82 1.26 -0.57 0.00 2.07 -1.18 -0.83 116.25 117.83 3mka h VAL 185 Ca 0.18 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3mka h VAL 185 Cb 0.37 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3mka h VAL 185 CO 0.00 0.34 0.27 0.00 0.02 0.00 0.00 177.57 178.21 3mka h ALA 186 N 1.17 0.73 -0.64 1.67 0.00 -1.20 -0.63 119.26 120.37 3mka h ALA 186 Ca 0.27 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 186 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3mka h ALA 186 CO -0.02 0.29 0.13 0.00 0.00 0.00 0.00 179.25 179.65 3mka h ALA 187 N 1.11 0.84 -0.59 0.00 0.00 -1.12 -2.73 119.26 116.76 3mka h ALA 187 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3mka h ALA 187 Cb 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3mka h ALA 187 CO -0.03 0.57 0.24 1.25 0.00 0.00 0.00 179.25 181.29 3mka h LEU 188 N 0.95 0.82 -1.03 0.00 5.85 -0.75 -2.80 115.31 118.34 3mka h LEU 188 Ca 0.20 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3mka h LEU 188 Cb 0.39 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3mka h LEU 188 CO 0.01 0.76 0.09 0.08 -0.34 0.00 0.00 178.44 179.04 3mka h ARG 189 N 0.82 0.79 -0.92 1.25 0.11 -1.01 -2.41 114.38 113.00 3mka h ARG 189 Ca 0.20 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3mka h ARG 189 Cb 0.20 -0.11 -0.05 0.00 1.11 0.00 0.00 29.97 31.12 3mka h ARG 189 CO -0.02 0.73 0.58 0.00 0.10 0.00 0.00 179.97 181.37 3mka h ALA 190 N 1.35 1.29 -0.72 0.08 0.00 -1.24 -2.76 119.26 117.25 3mka h ALA 190 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3mka h ALA 190 Cb 0.33 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3mka h ALA 190 CO 0.00 0.63 0.27 0.78 0.00 0.00 0.00 179.25 180.94 3mka h GLY 191 N 1.27 1.18 0.00 0.00 0.00 -1.20 -3.45 103.07 100.87 3mka h GLY 191 Ca 0.33 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3mka h GLY 191 CO -0.07 0.62 0.00 1.44 0.00 0.00 0.00 176.54 178.53 3mka n SER 192 N -4.33 0.00 0.00 0.19 7.64 -1.04 -4.74 113.62 111.34 3mka n SER 192 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3mka n SER 192 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3mka n SER 192 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mka n ALA 206 N 0.00 0.00 1.19 -0.43 0.00 -1.26 -4.84 120.51 115.16 3mka n ALA 206 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3mka n ALA 206 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.82 3mka n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mka n SER 207 N 0.00 2.00 -4.25 0.00 3.41 -1.26 -4.67 113.62 108.85 3mka n SER 207 Ca 0.00 -1.71 -0.30 0.00 -0.26 0.00 0.00 58.87 56.61 3mka n SER 207 Cb 0.00 -0.07 -0.16 0.00 -0.26 0.00 0.00 64.21 63.72 3mka n SER 207 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3mka s LEU 208 N -1.77 2.03 -0.16 1.04 2.96 -1.20 -0.10 118.68 121.48 3mka s LEU 208 Ca 0.35 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3mka s LEU 208 Cb 0.20 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 3mka s LEU 208 CO 0.30 0.25 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.81 3mka s GLU 209 N -0.29 3.50 0.00 1.98 2.12 -0.04 -4.84 118.70 121.14 3mka s GLU 209 Ca 0.01 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.75 3mka s GLU 209 Cb -0.12 -2.83 -0.00 0.00 0.26 0.00 0.00 34.13 31.44 3mka s GLU 209 CO 0.02 0.14 -0.03 0.08 -0.54 0.00 0.00 175.26 174.92 3mka s VAL 210 N 0.60 0.26 0.13 3.70 1.01 -1.26 -1.57 120.40 123.27 3mka s VAL 210 Ca -0.05 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 3mka s VAL 210 Cb -0.15 -0.24 0.06 0.00 0.00 0.00 0.00 36.38 36.06 3mka s VAL 210 CO 0.03 0.02 0.58 0.00 0.00 0.00 0.00 175.10 175.73 3mka s ALA 211 N -0.20 -1.52 0.11 5.51 0.00 -0.76 -0.90 121.76 124.00 3mka s ALA 211 Ca -0.00 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.48 3mka s ALA 211 Cb -0.02 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3mka s ALA 211 CO -0.00 -0.71 -0.09 0.14 0.00 0.00 0.00 175.76 175.10 3mka s VAL 212 N -3.50 0.90 -0.24 0.00 -7.23 0.86 -0.74 120.40 110.45 3mka s VAL 212 Ca 0.00 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 3mka s VAL 212 Cb -0.01 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 3mka s VAL 212 CO -0.11 -0.72 0.02 -0.76 -0.31 0.00 0.00 175.10 173.23 3mka s LEU 213 N -2.84 3.22 -0.16 1.32 1.43 -0.37 -0.80 118.68 120.48 3mka s LEU 213 Ca 0.10 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3mka s LEU 213 Cb 0.01 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3mka s LEU 213 CO -0.02 -0.03 -0.13 -0.62 0.23 0.00 0.00 176.35 175.79 3mka s ASP 214 N 1.56 3.89 0.32 2.29 2.15 0.15 -2.28 116.67 124.74 3mka s ASP 214 Ca 0.06 -0.41 0.01 0.00 0.43 0.00 0.00 52.55 52.65 3mka s ASP 214 Cb -0.15 -1.61 0.52 0.00 -0.30 0.00 0.00 42.92 41.39 3mka s ASP 214 CO 0.01 0.09 1.89 0.00 -0.17 0.00 0.00 175.17 176.99 3mka h ALA 215 N 7.25 1.35 -0.77 3.66 0.00 -1.81 -2.91 119.26 126.03 3mka h ALA 215 Ca -0.32 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3mka h ALA 215 Cb 1.19 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3mka h ALA 215 CO 0.57 0.48 0.48 -0.97 0.00 0.00 0.00 179.25 179.81 3mka h ASN 216 N 0.73 0.90 -3.21 0.00 -1.24 -1.94 -3.38 115.58 107.44 3mka h ASN 216 Ca 0.17 -0.04 -0.54 0.00 0.71 0.00 0.00 56.30 56.60 3mka h ASN 216 Cb 0.20 -0.23 0.08 0.00 0.73 0.00 0.00 38.32 39.11 3mka h ASN 216 CO -0.01 0.68 0.87 0.54 -1.29 0.00 0.00 177.43 178.22 3mka n ARG 217 N -4.40 2.67 -0.14 6.67 5.12 -1.10 -4.91 116.66 120.58 3mka n ARG 217 Ca 0.08 0.95 -0.09 0.00 -1.93 0.00 0.00 57.85 56.86 3mka n ARG 217 Cb 0.05 -2.73 -0.01 0.00 -1.16 0.00 0.00 32.46 28.62 3mka n ARG 217 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3mka h PRO 218 N 4.86 0.61 0.00 5.56 0.13 -1.88 -3.39 132.00 137.89 3mka h PRO 218 Ca -0.47 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 3mka h PRO 218 Cb 1.23 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3mka h PRO 218 CO 0.80 0.58 -0.42 -2.13 -0.23 0.00 0.00 178.00 176.59 3mka n ARG 219 N -4.63 0.00 -3.28 0.86 0.63 -1.26 -4.18 116.66 104.80 3mka n ARG 219 Ca 0.00 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.48 3mka n ARG 219 Cb 0.15 -0.43 -0.06 0.00 0.45 0.00 0.00 32.46 32.57 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 -2.00 3.02 0.23 -0.14 0.52 -1.26 -4.32 118.95 114.99 3mka s ARG 220 Ca 0.00 -1.36 -0.04 0.00 -0.52 0.00 0.00 55.73 53.81 3mka s ARG 220 Cb 0.00 -4.19 0.23 0.00 0.52 0.00 0.00 34.95 31.50 3mka s ARG 220 CO 0.00 -1.23 1.70 0.00 0.02 0.00 0.00 175.30 175.79 3mka h ALA 221 N 8.90 0.98 -2.76 2.13 0.00 -1.43 -3.45 119.26 123.63 3mka h ALA 221 Ca -0.29 -0.30 -0.53 0.00 0.00 0.00 0.00 54.91 53.80 3mka h ALA 221 Cb 1.10 -0.20 0.07 0.00 0.00 0.00 0.00 17.79 18.77 3mka h ALA 221 CO 0.97 0.61 0.88 0.12 0.00 0.00 0.00 179.25 181.84 3mka s PHE 222 N -4.93 2.83 -0.19 0.00 5.36 -1.25 0.30 117.98 120.09 3mka s PHE 222 Ca -0.10 0.75 -0.12 0.00 -0.96 0.00 0.00 56.93 56.50 3mka s PHE 222 Cb 0.14 -4.03 0.06 0.00 -0.34 0.00 0.00 43.02 38.85 3mka s PHE 222 CO 0.83 -3.53 0.48 1.03 -1.46 0.00 0.00 175.22 172.57 3mka s ARG 223 N -0.16 0.48 -0.11 10.12 0.52 0.02 -4.93 118.95 124.89 3mka s ARG 223 Ca 0.65 0.86 -0.20 0.00 -0.52 0.00 0.00 55.73 56.51 3mka s ARG 223 Cb -0.47 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 3mka s ARG 223 CO 0.44 -0.14 0.54 1.03 0.02 0.00 0.00 175.30 177.19 3mka s ARG 224 N 1.25 4.36 -0.38 3.54 0.52 -1.26 -0.10 118.95 126.88 3mka s ARG 224 Ca -0.08 0.57 -0.15 0.00 -0.52 0.00 0.00 55.73 55.55 3mka s ARG 224 Cb -0.07 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 31.96 3mka s ARG 224 CO -0.12 0.11 0.30 0.42 0.02 0.00 0.00 175.30 176.03 3mka s ILE 225 N 0.76 5.24 0.17 1.52 1.01 -0.08 -4.95 121.20 124.87 3mka s ILE 225 Ca 0.29 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.61 3mka s ILE 225 Cb -0.16 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3mka s ILE 225 CO 0.12 -0.20 -0.14 0.28 0.00 0.00 0.00 174.94 175.01 3mka s THR 226 N 1.78 1.53 0.00 2.92 -1.32 -1.26 -4.33 115.64 114.96 3mka s THR 226 Ca 0.07 -2.04 0.00 0.00 -1.21 0.00 0.00 61.69 58.51 3mka s THR 226 Cb -0.18 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 3mka s THR 226 CO 0.11 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.56 3mka n GLY 227 N -0.08 2.76 0.26 6.08 0.00 -1.26 -2.66 105.19 110.29 3mka n GLY 227 Ca -0.11 0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 0.78 -0.62 1.61 0.02 -1.99 -0.02 113.55 113.34 3mka h SER 228 Ca 0.00 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3mka h SER 228 Cb 0.00 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3mka h SER 228 CO 0.00 0.63 0.23 0.00 -1.14 0.00 0.00 176.83 176.55 3mka h ALA 229 N 1.18 1.17 -0.45 3.77 0.00 -1.92 -1.08 119.26 121.94 3mka h ALA 229 Ca 0.23 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3mka h ALA 229 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3mka h ALA 229 CO -0.04 0.59 -0.15 1.25 0.00 0.00 0.00 179.25 180.90 3mka h LEU 230 N 0.95 0.90 -0.59 0.00 5.85 -1.28 -1.55 115.31 119.59 3mka h LEU 230 Ca 0.22 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3mka h LEU 230 Cb 0.24 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3mka h LEU 230 CO -0.01 1.07 0.23 -0.61 -0.34 0.00 0.00 178.44 178.78 3mka h GLN 231 N 0.72 0.88 -0.74 1.25 5.75 -0.69 -2.53 115.11 119.76 3mka h GLN 231 Ca 0.11 -0.16 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 3mka h GLN 231 Cb 0.70 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 3mka h GLN 231 CO 0.05 0.76 0.26 0.00 -2.65 0.00 0.00 178.83 177.25 3mka h ALA 232 N 1.08 0.96 -0.19 3.38 0.00 -0.99 -2.47 119.26 121.02 3mka h ALA 232 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3mka h ALA 232 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3mka h ALA 232 CO -0.01 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 181.09 3mka h LEU 233 N 1.07 0.25 -0.62 0.00 5.85 -1.02 -3.52 115.31 117.33 3mka h LEU 233 Ca 0.24 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3mka h LEU 233 Cb 0.26 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3mka h LEU 233 CO -0.01 0.31 0.00 0.18 -0.34 0.00 0.00 178.44 178.58