#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s PHE 3 N 0.00 3.19 0.19 0.66 0.08 -1.26 -4.95 117.98 115.89 3mka s PHE 3 Ca 0.00 -0.08 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 3mka s PHE 3 Cb 0.00 -2.79 0.11 0.00 -0.57 0.00 0.00 43.02 39.77 3mka s PHE 3 CO 0.00 -0.53 1.71 -1.35 -0.10 0.00 0.00 175.22 174.94 3mka h PRO 4 N 8.54 1.12 -0.01 0.24 0.11 -2.11 -3.18 132.00 136.71 3mka h PRO 4 Ca -0.28 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3mka h PRO 4 Cb 1.13 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3mka h PRO 4 CO 0.74 0.99 -0.18 0.66 -0.21 0.00 0.00 178.00 180.00 3mka n TYR 5 N -4.24 0.00 -2.20 0.65 4.02 -1.26 -4.93 117.16 109.20 3mka n TYR 5 Ca 0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.57 3mka n TYR 5 Cb 0.27 -0.15 -0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3mka n TYR 5 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3mka s PHE 6 N -2.47 2.79 -0.07 -0.72 2.99 -1.20 -5.04 117.98 114.25 3mka s PHE 6 Ca 0.27 1.52 0.03 0.00 0.00 0.00 0.00 56.93 58.74 3mka s PHE 6 Cb 0.20 -3.43 -0.02 0.00 0.00 0.00 0.00 43.02 39.77 3mka s PHE 6 CO 0.49 -1.69 -0.16 0.96 -0.00 0.00 0.00 175.22 174.82 3mka s ILE 7 N -1.53 2.83 0.69 0.64 -0.00 -1.26 -5.05 121.20 117.52 3mka s ILE 7 Ca 0.65 -0.78 -0.13 0.00 -0.00 0.00 0.00 60.65 60.38 3mka s ILE 7 Cb -0.30 -2.12 0.01 0.00 -0.00 0.00 0.00 42.46 40.06 3mka s ILE 7 CO 0.36 0.57 1.09 -0.55 -0.00 0.00 0.00 174.94 176.41 3mka s SER 8 N -0.29 5.02 0.28 4.36 0.15 -1.26 -4.77 113.70 117.19 3mka s SER 8 Ca 0.02 1.88 -0.03 0.00 0.70 0.00 0.00 55.95 58.53 3mka s SER 8 Cb -0.13 -2.53 0.40 0.00 -1.71 0.00 0.00 66.02 62.05 3mka s SER 8 CO 0.03 -1.68 1.93 -0.65 1.20 0.00 0.00 173.24 174.06 3mka h PRO 9 N -0.36 1.15 -0.95 5.44 0.11 -1.99 0.16 132.00 135.56 3mka h PRO 9 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3mka h PRO 9 Cb 1.23 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 32.04 3mka h PRO 9 CO 0.54 0.76 0.60 1.49 -0.21 0.00 0.00 178.00 181.18 3mka h GLU 10 N 1.19 1.27 -0.77 1.05 4.81 -2.00 -0.30 114.58 119.83 3mka h GLU 10 Ca 0.37 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3mka h GLU 10 Cb -0.01 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.06 3mka h GLU 10 CO -0.11 0.87 0.36 1.96 -0.73 0.00 0.00 179.01 181.37 3mka h GLN 11 N 1.30 1.10 -0.73 1.92 4.20 -1.13 -2.20 115.11 119.58 3mka h GLN 11 Ca 0.34 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 3mka h GLN 11 Cb -0.10 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.45 3mka h GLN 11 CO -0.07 0.85 0.33 0.00 -0.67 0.00 0.00 178.83 179.28 3mka h ALA 12 N 1.31 0.94 -0.65 3.87 0.00 0.62 -2.27 119.26 123.08 3mka h ALA 12 Ca 0.26 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3mka h ALA 12 Cb 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3mka h ALA 12 CO -0.03 0.52 0.17 0.52 0.00 0.00 0.00 179.25 180.43 3mka h MET 13 N 1.02 1.01 -0.80 0.00 2.86 -0.79 -1.68 114.93 116.56 3mka h MET 13 Ca 0.25 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3mka h MET 13 Cb 0.14 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3mka h MET 13 CO -0.03 0.88 0.47 -0.09 1.06 0.00 0.00 176.91 179.21 3mka h ARG 14 N 0.96 1.08 -0.69 1.72 2.43 -0.97 0.93 114.38 119.85 3mka h ARG 14 Ca 0.21 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3mka h ARG 14 Cb 0.32 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3mka h ARG 14 CO -0.00 0.76 0.37 0.93 -1.51 0.00 0.00 179.97 180.53 3mka h GLU 15 N 1.10 0.96 -0.44 0.20 5.08 -0.77 1.82 114.58 122.52 3mka h GLU 15 Ca 0.29 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3mka h GLU 15 Cb -0.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3mka h GLU 15 CO -0.05 0.73 0.24 0.00 -1.00 0.00 0.00 179.01 178.93 3mka h ARG 16 N 0.95 0.62 -0.63 2.33 3.08 -0.41 1.98 114.38 122.30 3mka h ARG 16 Ca 0.24 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 3mka h ARG 16 Cb 0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3mka h ARG 16 CO -0.04 0.49 0.10 1.03 -1.07 0.00 0.00 179.97 180.48 3mka h SER 17 N 0.58 1.00 -0.80 7.04 0.87 -0.16 -2.39 113.55 119.69 3mka h SER 17 Ca 0.16 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 3mka h SER 17 Cb 0.05 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.71 3mka h SER 17 CO -0.03 1.01 0.33 -0.33 -0.53 0.00 0.00 176.83 177.29 3mka h GLU 18 N 0.95 1.19 -0.66 2.24 4.39 0.41 -1.86 114.58 121.24 3mka h GLU 18 Ca 0.19 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3mka h GLU 18 Cb 0.44 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3mka h GLU 18 CO 0.01 0.95 0.42 1.25 -1.16 0.00 0.00 179.01 180.48 3mka h LEU 19 N 1.16 0.77 -0.45 1.33 6.46 0.34 -1.59 115.31 123.33 3mka h LEU 19 Ca 0.27 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.92 3mka h LEU 19 Cb 0.20 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 3mka h LEU 19 CO -0.02 0.57 -0.00 0.00 -0.62 0.00 0.00 178.44 178.36 3mka h ALA 20 N 1.23 0.60 -0.76 1.25 0.00 -1.09 -3.09 119.26 117.40 3mka h ALA 20 Ca 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3mka h ALA 20 Cb -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3mka h ALA 20 CO -0.05 0.40 0.34 -0.09 0.00 0.00 0.00 179.25 179.85 3mka h ARG 21 N 0.64 1.11 -0.42 0.00 2.43 -0.59 -1.56 114.38 115.98 3mka h ARG 21 Ca 0.13 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3mka h ARG 21 Cb 0.50 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3mka h ARG 21 CO 0.02 0.88 0.20 0.87 -1.51 0.00 0.00 179.97 180.43 3mka h LYS 22 N 1.07 0.61 -0.65 0.20 1.57 -1.36 0.37 116.57 118.39 3mka h LYS 22 Ca 0.26 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 3mka h LYS 22 Cb 0.16 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 3mka h LYS 22 CO -0.03 0.53 0.33 0.78 -0.57 0.00 0.00 179.45 180.50 3mka h GLY 23 N 0.54 0.95 0.72 3.86 0.00 -1.35 0.20 103.07 107.99 3mka h GLY 23 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3mka h GLY 23 CO -0.02 0.10 -0.11 -2.22 0.00 0.00 0.00 176.54 174.29 3mka h ILE 24 N 0.60 0.85 -0.96 2.60 2.04 -0.77 -2.83 117.51 119.04 3mka h ILE 24 Ca 0.31 -0.55 0.27 0.00 1.00 0.00 0.00 64.86 65.89 3mka h ILE 24 Cb 0.26 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3mka h ILE 24 CO -0.22 0.12 0.68 0.00 0.00 0.00 0.00 178.15 178.73 3mka h ALA 25 N 0.11 2.82 0.00 1.87 0.00 -0.55 0.70 119.26 124.21 3mka h ALA 25 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mka h ALA 25 Cb 0.43 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mka h ALA 25 CO 0.05 -1.10 0.00 -2.13 0.00 0.00 0.00 179.25 176.07 3mka n ARG 26 N -4.29 0.07 -3.37 0.00 3.00 0.66 -3.34 116.66 109.39 3mka n ARG 26 Ca 0.20 0.21 -0.20 0.00 -0.00 0.00 0.00 57.85 58.07 3mka n ARG 26 Cb 1.00 -1.61 -0.01 0.00 0.00 0.00 0.00 32.46 31.84 3mka n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3mka s ALA 27 N -3.07 4.26 0.67 5.13 0.00 0.24 -4.87 121.76 124.11 3mka s ALA 27 Ca 0.09 -1.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.08 3mka s ALA 27 Cb 0.12 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 22.02 3mka s ALA 27 CO 0.40 -0.28 1.16 0.15 0.00 0.00 0.00 175.76 177.19 3mka s LYS 28 N -4.23 2.61 0.13 0.00 1.02 -1.26 -1.07 119.74 116.95 3mka s LYS 28 Ca 0.50 1.59 0.04 0.00 0.02 0.00 0.00 55.97 58.12 3mka s LYS 28 Cb -0.05 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 3mka s LYS 28 CO 0.30 -1.43 0.16 -1.12 -0.92 0.00 0.00 175.35 172.34 3mka s SER 29 N -2.20 5.77 0.01 2.83 0.01 -1.26 -4.21 113.70 114.65 3mka s SER 29 Ca 0.71 -0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.99 3mka s SER 29 Cb -0.25 -1.60 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 3mka s SER 29 CO 0.41 0.10 -0.06 -0.69 0.41 0.00 0.00 173.24 173.40 3mka s VAL 30 N -1.65 0.46 0.05 3.43 1.01 0.75 -1.44 120.40 123.01 3mka s VAL 30 Ca 0.32 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3mka s VAL 30 Cb -0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3mka s VAL 30 CO 0.25 -0.07 -0.13 0.68 0.00 0.00 0.00 175.10 175.83 3mka s VAL 31 N -0.58 1.04 -0.03 2.92 -7.23 0.72 -1.25 120.40 115.99 3mka s VAL 31 Ca -0.02 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 3mka s VAL 31 Cb -0.05 -0.97 0.03 0.00 0.56 0.00 0.00 36.38 35.95 3mka s VAL 31 CO 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 175.10 174.70 3mka s ALA 32 N -0.99 0.33 -0.00 1.32 0.00 -0.13 -1.18 121.76 121.10 3mka s ALA 32 Ca -0.00 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 3mka s ALA 32 Cb -0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 3mka s ALA 32 CO 0.01 -0.08 0.09 -0.48 0.00 0.00 0.00 175.76 175.30 3mka s LEU 33 N 1.05 1.74 0.46 0.00 0.05 -0.56 0.29 118.68 121.71 3mka s LEU 33 Ca -0.09 -0.16 -0.22 0.00 0.05 0.00 0.00 54.13 53.70 3mka s LEU 33 Cb -0.14 0.44 -0.08 0.00 -2.05 0.00 0.00 46.19 44.37 3mka s LEU 33 CO -0.02 -0.26 1.13 0.00 -0.55 0.00 0.00 176.35 176.65 3mka s ALA 34 N -1.00 2.94 0.29 1.48 0.00 0.84 -1.21 121.76 125.10 3mka s ALA 34 Ca -0.11 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 3mka s ALA 34 Cb -0.06 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3mka s ALA 34 CO 0.01 -0.56 0.61 1.52 0.00 0.00 0.00 175.76 177.34 3mka s TYR 35 N -1.64 0.21 0.28 0.00 -0.85 0.22 -4.75 117.35 110.83 3mka s TYR 35 Ca 0.64 -0.65 -0.02 0.00 -0.52 0.00 0.00 57.07 56.52 3mka s TYR 35 Cb -0.25 0.45 0.41 0.00 0.38 0.00 0.00 41.96 42.95 3mka s TYR 35 CO 0.31 -1.19 1.94 0.00 -1.52 0.00 0.00 175.55 175.08 3mka h ALA 36 N 2.11 1.40 0.00 9.51 0.00 -1.64 0.81 119.26 131.44 3mka h ALA 36 Ca -0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3mka h ALA 36 Cb 1.25 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3mka h ALA 36 CO 0.33 0.53 -0.08 0.78 0.00 0.00 0.00 179.25 180.80 3mka h GLY 37 N 1.17 0.00 0.00 0.00 0.00 -1.93 -3.48 103.07 98.83 3mka h GLY 37 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3mka h GLY 37 CO -0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.06 3mka n GLY 38 N -0.62 0.87 3.23 4.60 0.00 0.28 -2.58 105.19 110.96 3mka n GLY 38 Ca -0.02 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 1.86 -0.08 1.61 1.01 -0.94 0.72 120.40 124.57 3mka s VAL 39 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3mka s VAL 39 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3mka s VAL 39 CO 0.00 0.52 -0.12 -0.22 0.00 0.00 0.00 175.10 175.28 3mka s LEU 40 N -0.13 2.82 -0.20 3.92 2.96 -0.35 -1.40 118.68 126.30 3mka s LEU 40 Ca -0.03 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3mka s LEU 40 Cb -0.13 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.97 3mka s LEU 40 CO 0.03 0.28 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.86 3mka s PHE 41 N -0.35 2.88 -0.07 5.38 0.08 -0.09 -1.49 117.98 124.32 3mka s PHE 41 Ca 0.04 -1.35 0.01 0.00 0.12 0.00 0.00 56.93 55.75 3mka s PHE 41 Cb -0.12 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 3mka s PHE 41 CO 0.02 -0.69 -0.09 0.08 -0.10 0.00 0.00 175.22 174.44 3mka s VAL 42 N 1.37 0.90 0.02 -0.44 1.01 -0.33 -1.98 120.40 120.95 3mka s VAL 42 Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3mka s VAL 42 Cb -0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3mka s VAL 42 CO -0.08 0.31 -0.04 0.00 0.00 0.00 0.00 175.10 175.30 3mka s ALA 43 N 0.99 0.23 -0.22 5.51 0.00 -0.41 -0.20 121.76 127.67 3mka s ALA 43 Ca -0.09 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 3mka s ALA 43 Cb -0.15 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3mka s ALA 43 CO 0.00 -0.05 1.03 -1.83 0.00 0.00 0.00 175.76 174.91 3mka s GLU 44 N -0.90 4.28 -0.25 0.00 -1.05 -0.52 -1.05 118.70 119.21 3mka s GLU 44 Ca -0.08 1.35 -0.02 0.00 -0.15 0.00 0.00 54.97 56.07 3mka s GLU 44 Cb -0.06 -3.63 0.13 0.00 -0.44 0.00 0.00 34.13 30.13 3mka s GLU 44 CO -0.00 -0.59 0.36 1.21 0.95 0.00 0.00 175.26 177.18 3mka s ASN 45 N 1.19 0.49 0.11 0.83 3.84 0.43 -4.48 114.94 117.36 3mka s ASN 45 Ca 0.44 0.04 -0.16 0.00 0.21 0.00 0.00 52.86 53.40 3mka s ASN 45 Cb -0.15 0.98 -0.04 0.00 -0.55 0.00 0.00 41.25 41.49 3mka s ASN 45 CO 0.07 -0.31 1.55 -0.65 -2.79 0.00 0.00 177.10 174.97 3mka h PRO 46 N 8.20 0.65 -7.10 0.43 0.11 -1.85 -3.30 132.00 129.14 3mka h PRO 46 Ca -0.18 -0.22 -0.53 0.00 0.11 0.00 0.00 66.00 65.19 3mka h PRO 46 Cb 1.15 -0.05 0.11 0.00 0.11 0.00 0.00 31.00 32.32 3mka h PRO 46 CO 0.28 0.77 0.47 0.45 -0.21 0.00 0.00 178.00 179.76 3mka s SER 47 N -6.17 5.16 -0.01 -2.05 0.15 -1.26 -4.78 113.70 104.73 3mka s SER 47 Ca -0.13 2.39 0.18 0.00 0.70 0.00 0.00 55.95 59.09 3mka s SER 47 Cb 0.09 -2.60 -0.23 0.00 -1.71 0.00 0.00 66.02 61.58 3mka s SER 47 CO 0.79 -1.62 0.65 -1.14 1.20 0.00 0.00 173.24 173.12 3mka n ARG 48 N -1.63 0.90 -0.03 5.44 0.63 -1.26 -4.56 116.66 116.15 3mka n ARG 48 Ca 0.14 -0.06 0.05 0.00 -0.92 0.00 0.00 57.85 57.06 3mka n ARG 48 Cb 0.50 -1.38 -0.15 0.00 0.45 0.00 0.00 32.46 31.88 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 -1.66 0.60 -4.40 6.15 7.64 -1.26 -4.93 113.62 115.77 3mka n SER 49 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.49 3mka n SER 49 Cb 0.35 1.65 -0.11 0.00 -1.01 0.00 0.00 64.21 65.08 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 -4.58 4.68 0.43 -3.43 1.43 -1.26 -5.08 118.68 110.87 3mka s LEU 50 Ca -0.07 -0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 51.90 3mka s LEU 50 Cb 0.11 -2.04 -0.11 0.00 0.03 0.00 0.00 46.19 44.18 3mka s LEU 50 CO 0.78 -0.36 0.96 0.00 0.23 0.00 0.00 176.35 177.96 3mka s GLN 51 N 1.58 4.21 0.00 1.70 -2.07 -1.26 -4.88 119.66 118.94 3mka s GLN 51 Ca 0.03 1.16 0.00 0.00 -1.82 0.00 0.00 55.36 54.73 3mka s GLN 51 Cb -0.19 -2.21 0.00 0.00 -1.09 0.00 0.00 33.01 29.52 3mka s GLN 51 CO 0.07 -0.05 0.18 1.63 -1.32 0.00 0.00 175.29 175.80 3mka n LYS 52 N -0.59 2.63 -4.13 9.60 5.02 -1.26 -5.01 118.16 124.42 3mka n LYS 52 Ca 0.07 -0.18 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 3mka n LYS 52 Cb 0.54 -0.63 -0.17 0.00 -0.02 0.00 0.00 35.03 34.75 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 -0.43 0.65 0.19 -0.18 1.01 -1.26 -1.11 121.20 120.08 3mka s ILE 53 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 3mka s ILE 53 Cb 0.00 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 3mka s ILE 53 CO 0.00 0.26 0.27 -0.44 0.00 0.00 0.00 174.94 175.03 3mka s SER 54 N 1.15 0.06 0.09 3.58 0.01 0.86 -5.00 113.70 114.44 3mka s SER 54 Ca -0.07 -1.07 -0.19 0.00 1.31 0.00 0.00 55.95 55.93 3mka s SER 54 Cb -0.14 0.45 -0.07 0.00 0.21 0.00 0.00 66.02 66.47 3mka s SER 54 CO -0.01 -0.93 0.58 -0.70 0.41 0.00 0.00 173.24 172.59 3mka s GLU 55 N -4.05 4.20 -0.13 12.44 2.12 -1.26 -0.35 118.70 131.68 3mka s GLU 55 Ca 0.26 0.74 -0.09 0.00 0.36 0.00 0.00 54.97 56.24 3mka s GLU 55 Cb 0.04 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 31.17 3mka s GLU 55 CO 0.06 0.62 -0.20 1.28 -0.54 0.00 0.00 175.26 176.48 3mka n LEU 56 N 1.61 1.25 0.00 2.70 4.77 -0.12 -4.84 117.00 122.36 3mka n LEU 56 Ca -0.09 0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 56.05 3mka n LEU 56 Cb 0.51 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3mka n LEU 56 CO 0.42 0.08 0.01 0.00 -1.33 0.00 0.00 177.39 176.56 3mka n TYR 57 N -3.81 -0.43 -0.33 -1.77 9.36 -0.81 -4.74 117.16 114.63 3mka n TYR 57 Ca -0.24 -0.72 -0.12 0.00 3.32 0.00 0.00 57.90 60.15 3mka n TYR 57 Cb 0.59 0.11 -0.10 0.00 -0.63 0.00 0.00 39.34 39.31 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 0.55 -2.04 -0.17 2.98 3.32 -1.95 -2.79 116.42 116.32 3mka h ASP 58 Ca -0.07 0.30 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3mka h ASP 58 Cb 0.33 0.89 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3mka h ASP 58 CO 0.10 -0.28 -0.08 0.54 -1.72 0.00 0.00 179.24 177.80 3mka n ARG 59 N -5.24 2.02 -4.12 3.56 5.12 -1.26 -1.26 116.66 115.48 3mka n ARG 59 Ca 0.00 -2.90 -0.29 0.00 -1.93 0.00 0.00 57.85 52.74 3mka n ARG 59 Cb 0.28 -1.71 -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 -2.99 1.42 0.28 1.55 1.01 -1.06 -1.88 120.40 118.74 3mka s VAL 60 Ca 0.39 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.90 3mka s VAL 60 Cb 0.34 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3mka s VAL 60 CO 0.03 0.43 0.09 -0.83 0.00 0.00 0.00 175.10 174.82 3mka s GLY 61 N 1.39 1.68 -0.02 4.51 0.00 0.10 -0.95 107.32 114.03 3mka s GLY 61 Ca 0.02 -1.65 0.02 0.00 0.00 0.00 0.00 44.72 43.11 3mka s GLY 61 CO -0.07 -1.67 -0.07 -0.12 0.00 0.00 0.00 173.10 171.16 3mka s PHE 62 N -2.31 0.78 0.00 1.90 5.36 0.53 -1.30 117.98 122.93 3mka s PHE 62 Ca 0.34 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.13 3mka s PHE 62 Cb -0.06 -0.55 -0.00 0.00 -0.34 0.00 0.00 43.02 42.07 3mka s PHE 62 CO 0.22 -0.07 -0.01 0.00 -1.46 0.00 0.00 175.22 173.90 3mka s ALA 63 N 0.14 0.03 0.10 11.12 0.00 -0.43 -0.10 121.76 132.62 3mka s ALA 63 Ca -0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 3mka s ALA 63 Cb -0.07 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3mka s ALA 63 CO 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 175.76 175.88 3mka s ALA 64 N -0.27 0.09 0.00 0.00 0.00 -0.26 -0.40 121.76 120.92 3mka s ALA 64 Ca -0.03 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3mka s ALA 64 Cb -0.02 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 3mka s ALA 64 CO -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 175.76 175.20 3mka s ALA 65 N -3.92 0.44 0.00 0.00 0.00 -0.39 -4.85 121.76 113.05 3mka s ALA 65 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3mka s ALA 65 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3mka s ALA 65 CO -0.07 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3mka n GLY 66 N 2.72 0.78 3.66 0.00 0.00 -1.26 -0.86 105.19 110.23 3mka n GLY 66 Ca -0.14 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.80 4.23 0.08 1.61 2.20 -0.03 -4.92 119.74 121.12 3mka s LYS 67 Ca 0.00 1.76 -0.29 0.00 -0.36 0.00 0.00 55.97 57.09 3mka s LYS 67 Cb 0.00 -3.78 -0.12 0.00 -1.51 0.00 0.00 37.83 32.42 3mka s LYS 67 CO 0.00 -0.71 1.46 0.35 -0.36 0.00 0.00 175.35 176.09 3mka h PHE 68 N 8.36 -1.25 -1.04 4.03 3.57 -1.96 -1.35 116.94 127.30 3mka h PHE 68 Ca -0.30 0.03 0.28 0.00 3.53 0.00 0.00 57.97 61.52 3mka h PHE 68 Cb 1.12 0.53 -0.07 0.00 2.79 0.00 0.00 35.95 40.32 3mka h PHE 68 CO 0.81 -0.50 0.71 -2.95 -2.23 0.00 0.00 178.31 174.14 3mka h ASN 69 N -0.66 0.24 0.28 0.41 7.08 -1.99 0.24 115.58 121.19 3mka h ASN 69 Ca -0.01 0.04 -0.24 0.00 -3.08 0.00 0.00 56.30 53.01 3mka h ASN 69 Cb 0.64 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.89 3mka h ASN 69 CO -0.21 0.05 -1.01 -0.33 -2.08 0.00 0.00 177.43 173.86 3mka h GLU 70 N 0.22 0.47 0.00 4.14 5.08 -1.75 -2.92 114.58 119.82 3mka h GLU 70 Ca 0.55 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3mka h GLU 70 Cb 1.73 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.13 3mka h GLU 70 CO -0.15 1.18 -0.59 1.97 -1.00 0.00 0.00 179.01 180.41 3mka n PHE 71 N -3.75 0.10 -0.05 4.33 1.16 -0.08 -2.94 117.46 116.22 3mka n PHE 71 Ca -0.08 0.03 -0.15 0.00 -1.87 0.00 0.00 57.45 55.37 3mka n PHE 71 Cb 0.87 -0.31 -0.06 0.00 -1.61 0.00 0.00 39.48 38.37 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 0.76 -0.63 5.98 3.58 -0.66 -1.58 116.42 123.87 3mka h ASP 72 Ca 0.00 -0.57 0.13 0.00 0.42 0.00 0.00 57.03 57.00 3mka h ASP 72 Cb 0.55 -0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.29 3mka h ASP 72 CO 0.00 1.19 0.11 -1.13 -2.88 0.00 0.00 179.24 176.53 3mka h ASN 73 N 0.35 -0.06 0.95 2.28 -0.73 -1.52 -0.04 115.58 116.82 3mka h ASN 73 Ca -0.01 0.13 -0.08 0.00 1.87 0.00 0.00 56.30 58.22 3mka h ASN 73 Cb 1.10 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.87 3mka h ASN 73 CO 0.11 -0.03 -0.36 -0.07 -0.37 0.00 0.00 177.43 176.71 3mka h LEU 74 N 0.23 0.00 -0.12 0.34 4.07 -1.40 -2.44 115.31 115.99 3mka h LEU 74 Ca 0.34 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.21 3mka h LEU 74 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 3mka h LEU 74 CO -0.45 0.36 -0.24 -0.09 -1.08 0.00 0.00 178.44 176.94 3mka h ARG 75 N 0.00 0.38 -0.36 1.13 2.43 -0.05 -2.37 114.38 115.54 3mka h ARG 75 Ca -0.00 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3mka h ARG 75 Cb 0.93 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3mka h ARG 75 CO 0.05 0.84 0.17 0.00 -1.51 0.00 0.00 179.97 179.52 3mka h ARG 76 N -0.04 0.53 0.00 0.20 3.08 -1.04 -0.86 114.38 116.25 3mka h ARG 76 Ca 0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3mka h ARG 76 Cb 0.83 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 3mka h ARG 76 CO 0.05 0.48 -0.10 0.78 -1.07 0.00 0.00 179.97 180.11 3mka h GLY 77 N 0.45 0.00 1.87 0.04 0.00 -1.50 -0.74 103.07 103.18 3mka h GLY 77 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 3mka h GLY 77 CO -0.01 0.00 -0.89 -1.33 0.00 0.00 0.00 176.54 174.30 3mka h GLY 78 N 0.61 0.00 1.18 4.60 0.00 -0.77 -1.50 103.07 107.19 3mka h GLY 78 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3mka h GLY 78 CO 0.01 0.00 -0.48 -2.22 0.00 0.00 0.00 176.54 173.86 3mka h ILE 79 N 0.00 1.28 -0.54 2.60 2.04 -0.47 -1.51 117.51 120.90 3mka h ILE 79 Ca -0.04 -1.66 -0.09 0.00 1.00 0.00 0.00 64.86 64.08 3mka h ILE 79 Cb 1.63 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 3mka h ILE 79 CO 0.10 0.55 -0.01 1.56 0.00 0.00 0.00 178.15 180.34 3mka h GLN 80 N 0.69 0.92 -0.29 2.37 4.20 -1.06 -1.53 115.11 120.41 3mka h GLN 80 Ca 0.03 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 3mka h GLN 80 Cb 1.07 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3mka h GLN 80 CO 0.11 0.92 -0.11 0.35 -0.67 0.00 0.00 178.83 179.43 3mka h PHE 81 N 0.85 0.66 -0.31 2.96 3.57 -1.14 -2.30 116.94 121.23 3mka h PHE 81 Ca 0.16 -0.16 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3mka h PHE 81 Cb 0.52 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3mka h PHE 81 CO 0.03 0.80 -0.17 0.00 -2.23 0.00 0.00 178.31 176.74 3mka h ALA 82 N 0.76 0.44 -0.36 2.41 0.00 -1.15 -1.88 119.26 119.49 3mka h ALA 82 Ca 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3mka h ALA 82 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3mka h ALA 82 CO 0.04 0.36 0.20 -0.44 0.00 0.00 0.00 179.25 179.40 3mka h ASP 83 N 0.42 0.44 -0.97 0.00 3.32 -1.33 -0.49 116.42 117.81 3mka h ASP 83 Ca 0.07 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3mka h ASP 83 Cb 0.71 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 3mka h ASP 83 CO 0.05 0.40 0.62 0.74 -1.72 0.00 0.00 179.24 179.33 3mka h THR 84 N 0.45 1.26 -0.01 0.35 2.02 -1.35 -0.95 112.91 114.67 3mka h THR 84 Ca 0.13 -0.51 -0.19 0.00 0.77 0.00 0.00 66.41 66.61 3mka h THR 84 Cb 0.05 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.31 3mka h THR 84 CO -0.02 0.26 -0.81 0.03 0.37 0.00 0.00 175.52 175.34 3mka h ARG 85 N 1.32 0.21 0.00 6.66 2.47 -1.15 -1.65 114.38 122.25 3mka h ARG 85 Ca 0.35 -0.21 -0.07 0.00 -1.26 0.00 0.00 59.98 58.79 3mka h ARG 85 Cb -0.11 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3mka h ARG 85 CO -0.07 0.92 -0.33 0.78 0.56 0.00 0.00 179.97 181.83 3mka h GLY 86 N 1.74 0.00 0.72 0.04 0.00 -0.56 -1.91 103.07 103.10 3mka h GLY 86 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.09 3mka h GLY 86 CO 0.13 0.00 -0.89 -1.82 0.00 0.00 0.00 176.54 173.95 3mka h TYR 87 N 0.00 0.57 0.00 5.60 3.20 -1.05 -3.10 116.97 122.19 3mka h TYR 87 Ca -0.00 -0.41 -0.05 0.00 3.14 0.00 0.00 58.73 61.40 3mka h TYR 87 Cb 0.80 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 3mka h TYR 87 CO 0.00 1.34 -0.24 0.00 -1.64 0.00 0.00 178.16 177.62 3mka h ALA 88 N 0.08 1.14 -3.00 1.82 0.00 -1.23 -3.44 119.26 114.63 3mka h ALA 88 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3mka h ALA 88 Cb 1.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3mka h ALA 88 CO 0.15 0.30 0.00 0.66 0.00 0.00 0.00 179.25 180.36 3mka n TYR 89 N -3.58 0.00 -4.10 0.00 4.01 -0.72 -5.09 117.16 107.68 3mka n TYR 89 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 3mka n TYR 89 Cb 0.38 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.30 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 0.99 0.40 7.72 2.15 -1.20 -4.92 116.67 122.81 3mka s ASP 90 Ca 0.00 -0.69 0.20 0.00 0.43 0.00 0.00 52.55 52.48 3mka s ASP 90 Cb 0.00 0.05 1.14 0.00 -0.30 0.00 0.00 42.92 43.81 3mka s ASP 90 CO 0.00 -0.28 1.75 0.03 -0.17 0.00 0.00 175.17 176.51 3mka h ARG 91 N 4.02 0.35 0.00 4.34 3.08 -1.87 0.17 114.38 124.47 3mka h ARG 91 Ca -0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3mka h ARG 91 Cb 1.19 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3mka h ARG 91 CO 0.48 0.23 0.00 -2.13 -1.07 0.00 0.00 179.97 177.48 3mka n ARG 92 N -4.64 0.26 0.00 0.04 3.00 -1.26 -2.42 116.66 111.64 3mka n ARG 92 Ca 0.27 0.12 0.11 0.00 -0.00 0.00 0.00 57.85 58.35 3mka n ARG 92 Cb 0.94 -1.50 0.10 0.00 0.00 0.00 0.00 32.46 31.99 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 -1.26 1.16 -4.68 6.15 8.00 0.59 -4.88 116.55 121.63 3mka n ASP 93 Ca 0.08 -0.94 -0.42 0.00 0.71 0.00 0.00 54.79 54.23 3mka n ASP 93 Cb 0.13 0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.76 4.86 0.17 2.53 1.01 -1.02 -5.02 120.40 120.17 3mka s VAL 94 Ca 0.15 1.80 0.07 0.00 0.00 0.00 0.00 61.98 64.00 3mka s VAL 94 Cb 0.18 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3mka s VAL 94 CO 0.68 0.04 -0.15 0.42 0.00 0.00 0.00 175.10 176.10 3mka s THR 95 N 1.94 1.58 0.14 3.92 -4.23 -1.26 -5.02 115.64 112.71 3mka s THR 95 Ca 0.43 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.81 3mka s THR 95 Cb -0.17 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.85 3mka s THR 95 CO 0.16 -0.50 1.68 1.23 -0.54 0.00 0.00 174.62 176.65 3mka h GLY 96 N 3.01 0.76 0.08 3.99 0.00 -1.93 -2.01 103.07 106.97 3mka h GLY 96 Ca -0.39 -0.43 0.18 0.00 0.00 0.00 0.00 47.33 46.68 3mka h GLY 96 CO 0.56 0.41 0.48 -0.09 0.00 0.00 0.00 176.54 177.90 3mka h ARG 97 N 0.61 0.59 -0.37 4.80 2.43 -1.95 -0.70 114.38 119.78 3mka h ARG 97 Ca 0.15 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 3mka h ARG 97 Cb 0.23 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3mka h ARG 97 CO -0.01 0.39 -0.30 1.96 -1.51 0.00 0.00 179.97 180.50 3mka h GLN 98 N 0.61 0.80 -0.61 0.20 4.20 -1.80 -1.67 115.11 116.84 3mka h GLN 98 Ca 0.52 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 3mka h GLN 98 Cb 0.84 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 3mka h GLN 98 CO -0.41 0.99 0.19 -0.07 -0.67 0.00 0.00 178.83 178.86 3mka h LEU 99 N 0.68 0.90 -0.01 1.46 -0.00 -0.74 -1.91 115.31 115.68 3mka h LEU 99 Ca 0.08 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.88 57.75 3mka h LEU 99 Cb 0.84 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 41.26 3mka h LEU 99 CO 0.07 0.87 0.00 0.00 -0.00 0.00 0.00 178.44 179.39 3mka h ALA 100 N 1.06 0.01 -0.65 1.53 0.00 -1.04 -0.80 119.26 119.36 3mka h ALA 100 Ca 0.20 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3mka h ALA 100 Cb 0.30 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3mka h ALA 100 CO -0.01 -0.45 0.43 -0.97 0.00 0.00 0.00 179.25 178.26 3mka h ASN 101 N -0.07 0.42 -0.11 0.00 -0.73 -1.23 0.77 115.58 114.64 3mka h ASN 101 Ca 0.00 0.01 -0.16 0.00 1.87 0.00 0.00 56.30 58.03 3mka h ASN 101 Cb 0.08 -0.08 0.01 0.00 0.27 0.00 0.00 38.32 38.60 3mka h ASN 101 CO -0.00 0.25 -0.54 0.58 -0.37 0.00 0.00 177.43 177.35 3mka h VAL 102 N 0.46 1.35 -0.80 2.57 2.07 -0.59 -2.41 116.25 118.91 3mka h VAL 102 Ca 0.30 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 3mka h VAL 102 Cb 0.56 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3mka h VAL 102 CO -0.09 0.56 0.49 1.88 0.02 0.00 0.00 177.57 180.43 3mka h TYR 103 N 0.18 1.06 -0.00 1.57 0.05 -0.27 -1.03 116.97 118.53 3mka h TYR 103 Ca -0.04 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.77 3mka h TYR 103 Cb 1.19 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 38.54 3mka h TYR 103 CO 0.11 0.71 -0.23 0.00 -1.05 0.00 0.00 178.16 177.70 3mka h ALA 104 N 1.26 -0.30 -0.93 3.88 0.00 -0.82 0.12 119.26 122.47 3mka h ALA 104 Ca 0.29 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3mka h ALA 104 Cb -0.05 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3mka h ALA 104 CO -0.05 -0.73 0.61 0.37 0.00 0.00 0.00 179.25 179.45 3mka h GLN 105 N -0.36 1.13 0.12 0.00 5.75 -1.19 -0.03 115.11 120.54 3mka h GLN 105 Ca 0.06 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3mka h GLN 105 Cb 0.44 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.74 3mka h GLN 105 CO -0.21 0.75 -0.06 1.15 -2.65 0.00 0.00 178.83 177.81 3mka h THR 106 N 1.17 1.06 -0.78 2.39 2.02 -0.34 -1.80 112.91 116.63 3mka h THR 106 Ca 0.37 -1.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 3mka h THR 106 Cb 0.02 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 3mka h THR 106 CO -0.11 0.24 0.34 -0.07 0.37 0.00 0.00 175.52 176.28 3mka h LEU 107 N -0.68 1.06 -0.72 2.58 3.38 -0.81 0.43 115.31 120.54 3mka h LEU 107 Ca -0.02 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.91 3mka h LEU 107 Cb 0.52 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 3mka h LEU 107 CO 0.03 0.93 0.33 1.23 0.09 0.00 0.00 178.44 181.04 3mka h GLY 108 N 1.12 1.09 0.96 0.83 0.00 -0.98 0.15 103.07 106.23 3mka h GLY 108 Ca 0.26 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.23 3mka h GLY 108 CO -0.03 -0.01 -0.63 -0.84 0.00 0.00 0.00 176.54 175.03 3mka h THR 109 N 0.53 1.35 -0.43 4.70 2.02 -0.63 -2.66 112.91 117.79 3mka h THR 109 Ca 0.37 -1.94 0.03 0.00 0.77 0.00 0.00 66.41 65.65 3mka h THR 109 Cb 0.47 2.24 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 3mka h THR 109 CO -0.32 0.59 0.21 0.40 0.37 0.00 0.00 175.52 176.77 3mka h ILE 110 N 0.20 0.97 -0.68 3.11 2.04 -0.33 0.12 117.51 122.94 3mka h ILE 110 Ca -0.05 -0.15 0.13 0.00 1.00 0.00 0.00 64.86 65.79 3mka h ILE 110 Cb 1.28 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 3mka h ILE 110 CO 0.13 0.08 0.20 0.15 0.00 0.00 0.00 178.15 178.71 3mka h PHE 111 N 0.43 0.33 0.02 1.37 3.57 -0.69 0.21 116.94 122.18 3mka h PHE 111 Ca 0.19 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.50 3mka h PHE 111 Cb 0.10 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3mka h PHE 111 CO -0.10 -0.00 -1.08 1.15 -2.23 0.00 0.00 178.31 176.04 3mka h THR 112 N 0.33 1.64 0.00 4.41 2.02 -1.07 -3.41 112.91 116.83 3mka h THR 112 Ca 0.37 -3.33 0.00 0.00 0.77 0.00 0.00 66.41 64.22 3mka h THR 112 Cb 0.56 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 3mka h THR 112 CO -0.42 0.94 -0.92 -0.62 0.37 0.00 0.00 175.52 174.87 3mka n GLU 113 N -3.37 1.96 -2.43 6.66 -0.58 0.39 -5.02 120.64 118.24 3mka n GLU 113 Ca -0.02 -0.04 -0.32 0.00 -0.42 0.00 0.00 57.16 56.35 3mka n GLU 113 Cb 0.96 -1.02 -0.03 0.00 -0.57 0.00 0.00 31.44 30.78 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 -2.12 3.91 0.12 3.49 -1.52 0.70 -4.97 119.66 119.27 3mka s GLN 114 Ca -0.01 1.03 -0.25 0.00 -1.95 0.00 0.00 55.36 54.18 3mka s GLN 114 Cb 0.04 -2.13 -0.06 0.00 -0.22 0.00 0.00 33.01 30.65 3mka s GLN 114 CO 0.26 -0.30 1.65 0.00 -0.25 0.00 0.00 175.29 176.64 3mka h ALA 115 N 1.05 -0.30 -4.12 6.09 0.00 -1.95 -3.41 119.26 116.61 3mka h ALA 115 Ca -0.47 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.76 3mka h ALA 115 Cb 1.19 0.39 -0.31 0.00 0.00 0.00 0.00 17.79 19.06 3mka h ALA 115 CO 0.61 -0.73 -0.88 0.21 0.00 0.00 0.00 179.25 178.46 3mka s LYS 116 N -6.09 2.37 1.08 0.00 2.20 -1.26 -5.14 119.74 112.91 3mka s LYS 116 Ca -0.15 -0.88 -0.16 0.00 -0.36 0.00 0.00 55.97 54.42 3mka s LYS 116 Cb 0.09 -2.06 0.23 0.00 -1.51 0.00 0.00 37.83 34.57 3mka s LYS 116 CO 0.66 0.40 1.12 -1.25 -0.36 0.00 0.00 175.35 175.93 3mka s PRO 117 N -0.24 -0.25 -0.13 4.03 0.04 -1.26 -4.94 135.00 132.26 3mka s PRO 117 Ca -0.01 0.15 -0.23 0.00 0.04 0.00 0.00 61.00 60.95 3mka s PRO 117 Cb -0.13 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 3mka s PRO 117 CO 0.03 -3.11 0.70 0.71 0.04 0.00 0.00 177.00 175.37 3mka s TYR 118 N -3.09 3.48 -1.37 0.56 1.51 -1.26 -4.94 117.35 112.24 3mka s TYR 118 Ca 0.68 1.15 -0.12 0.00 -1.01 0.00 0.00 57.07 57.77 3mka s TYR 118 Cb -0.13 -2.84 0.10 0.00 -0.11 0.00 0.00 41.96 38.97 3mka s TYR 118 CO 0.56 -0.06 2.04 0.39 -1.11 0.00 0.00 175.55 177.37 3mka n GLU 119 N 4.46 3.21 -3.77 -0.62 1.02 -1.26 -4.72 120.64 118.95 3mka n GLU 119 Ca -0.00 -3.05 -0.10 0.00 -0.02 0.00 0.00 57.16 53.98 3mka n GLU 119 Cb 0.50 -3.13 -0.07 0.00 -0.02 0.00 0.00 31.44 28.72 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 1.98 0.10 -0.02 2.62 -7.23 -1.26 -0.86 120.40 115.75 3mka s VAL 120 Ca 0.44 -0.85 -0.00 0.00 -1.81 0.00 0.00 61.98 59.75 3mka s VAL 120 Cb 0.11 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.93 3mka s VAL 120 CO -0.04 -0.47 0.03 -0.70 -0.31 0.00 0.00 175.10 173.60 3mka s GLU 121 N -3.36 -0.02 0.09 4.82 2.12 -0.04 -3.26 118.70 119.04 3mka s GLU 121 Ca 0.01 0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.49 3mka s GLU 121 Cb 0.02 -0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.21 3mka s GLU 121 CO -0.08 -0.11 -0.06 -0.48 -0.54 0.00 0.00 175.26 173.98 3mka s LEU 122 N 0.70 2.49 -0.09 2.70 0.05 -0.83 -1.26 118.68 122.44 3mka s LEU 122 Ca -0.06 -0.97 0.03 0.00 0.05 0.00 0.00 54.13 53.18 3mka s LEU 122 Cb -0.08 -0.07 0.01 0.00 -2.05 0.00 0.00 46.19 44.00 3mka s LEU 122 CO -0.02 -0.45 -0.18 0.00 -0.55 0.00 0.00 176.35 175.15 3mka s VAL 124 N 0.64 3.06 0.01 0.00 1.01 -0.74 -1.32 120.40 123.07 3mka s VAL 124 Ca -0.14 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.32 3mka s VAL 124 Cb -0.16 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3mka s VAL 124 CO 0.04 0.46 -0.26 0.00 0.00 0.00 0.00 175.10 175.34 3mka s ALA 125 N 1.28 2.17 -0.07 5.51 0.00 -0.42 -1.13 121.76 129.10 3mka s ALA 125 Ca 0.03 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3mka s ALA 125 Cb -0.14 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.50 3mka s ALA 125 CO -0.04 0.52 -0.05 -2.00 0.00 0.00 0.00 175.76 174.19 3mka s GLU 126 N -0.93 1.02 0.41 0.00 2.12 -0.62 0.00 118.70 120.70 3mka s GLU 126 Ca 0.11 -0.11 0.08 0.00 0.36 0.00 0.00 54.97 55.40 3mka s GLU 126 Cb -0.10 -1.10 0.00 0.00 0.26 0.00 0.00 34.13 33.19 3mka s GLU 126 CO 0.01 -0.17 0.53 0.14 -0.54 0.00 0.00 175.26 175.23 3mka s VAL 127 N 1.34 3.04 0.83 3.70 -7.23 -0.79 -1.47 120.40 119.82 3mka s VAL 127 Ca -0.04 -1.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.96 3mka s VAL 127 Cb -0.14 -3.03 0.09 0.00 0.56 0.00 0.00 36.38 33.86 3mka s VAL 127 CO -0.03 -0.01 1.10 0.00 -0.31 0.00 0.00 175.10 175.85 3mka s ALA 128 N -2.35 2.03 0.49 1.32 0.00 -1.26 -4.86 121.76 117.11 3mka s ALA 128 Ca 0.53 -0.16 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 3mka s ALA 128 Cb -0.09 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 3mka s ALA 128 CO 0.32 -1.93 1.00 -1.01 0.00 0.00 0.00 175.76 174.14 3mka s HIS 129 N -3.08 3.16 -0.38 0.00 3.76 -1.26 -4.77 115.29 112.71 3mka s HIS 129 Ca 0.62 1.56 -0.44 0.00 -0.15 0.00 0.00 55.06 56.65 3mka s HIS 129 Cb -0.16 -2.95 -0.18 0.00 1.11 0.00 0.00 32.58 30.41 3mka s HIS 129 CO 0.55 -0.57 1.65 0.98 -0.85 0.00 0.00 174.74 176.51 3mka n TYR 130 N -1.08 1.87 0.00 1.40 9.36 -1.26 -0.20 117.16 127.25 3mka n TYR 130 Ca 0.08 0.86 0.00 0.00 3.32 0.00 0.00 57.90 62.16 3mka n TYR 130 Cb 0.53 -2.33 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 4.03 2.95 3.81 2.98 0.00 -1.26 -5.04 105.19 112.65 3mka n GLY 131 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.11 0.82 -0.34 1.61 2.02 0.72 -5.04 118.70 118.38 3mka s GLU 132 Ca 0.00 0.05 -0.01 0.00 0.02 0.00 0.00 54.97 55.04 3mka s GLU 132 Cb 0.00 -1.82 0.12 0.00 0.10 0.00 0.00 34.13 32.52 3mka s GLU 132 CO 0.00 -2.37 0.16 0.95 0.02 0.00 0.00 175.26 174.02 3mka s THR 133 N -3.43 0.52 -0.00 3.63 -4.23 -1.26 -4.78 115.64 106.09 3mka s THR 133 Ca 0.67 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.68 3mka s THR 133 Cb -0.11 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 3mka s THR 133 CO 0.53 -0.82 -0.09 -0.75 -0.54 0.00 0.00 174.62 172.95 3mka s LYS 134 N 1.36 0.72 0.16 3.99 2.20 -1.26 -5.11 119.74 121.80 3mka s LYS 134 Ca 0.13 -0.36 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 3mka s LYS 134 Cb -0.20 -0.69 -0.09 0.00 -1.51 0.00 0.00 37.83 35.34 3mka s LYS 134 CO -0.16 0.19 1.45 1.03 -0.36 0.00 0.00 175.35 177.50 3mka s ARG 135 N -0.31 4.28 1.00 4.03 0.52 -1.26 -4.39 118.95 122.82 3mka s ARG 135 Ca 0.03 2.21 -0.14 0.00 -0.52 0.00 0.00 55.73 57.30 3mka s ARG 135 Cb -0.04 -3.19 0.06 0.00 0.52 0.00 0.00 34.95 32.30 3mka s ARG 135 CO -0.00 -0.48 0.33 -2.30 0.02 0.00 0.00 175.30 172.87 3mka n PRO 136 N 3.62 -0.68 -4.67 3.54 -0.02 -1.26 -4.87 135.00 130.66 3mka n PRO 136 Ca 0.11 -0.16 -0.23 0.00 -2.02 0.00 0.00 63.50 61.20 3mka n PRO 136 Cb 0.41 -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 -3.63 1.18 -0.02 -0.52 2.02 -0.54 -4.99 118.70 112.20 3mka s GLU 137 Ca 0.57 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 55.06 3mka s GLU 137 Cb -0.19 -1.14 -0.00 0.00 0.10 0.00 0.00 34.13 32.90 3mka s GLU 137 CO 0.67 0.31 -0.10 -0.51 0.02 0.00 0.00 175.26 175.65 3mka s LEU 138 N -0.37 1.93 0.01 1.80 1.43 -1.24 -1.59 118.68 120.65 3mka s LEU 138 Ca 0.05 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3mka s LEU 138 Cb -0.06 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 3mka s LEU 138 CO -0.00 0.10 -0.11 -0.31 0.23 0.00 0.00 176.35 176.26 3mka s TYR 139 N -0.08 0.94 -0.06 0.29 2.02 -0.29 -1.37 117.35 118.81 3mka s TYR 139 Ca 0.01 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 3mka s TYR 139 Cb -0.06 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.91 3mka s TYR 139 CO -0.00 -0.01 -0.24 0.50 -1.57 0.00 0.00 175.55 174.23 3mka s ARG 140 N -0.64 2.53 -0.13 -0.62 3.52 -0.22 -1.79 118.95 121.60 3mka s ARG 140 Ca 0.02 -0.90 0.01 0.00 -0.13 0.00 0.00 55.73 54.73 3mka s ARG 140 Cb -0.06 -2.17 0.02 0.00 -1.56 0.00 0.00 34.95 31.18 3mka s ARG 140 CO 0.00 0.40 -0.15 0.42 -0.81 0.00 0.00 175.30 175.16 3mka s ILE 141 N -0.21 1.57 0.66 4.11 1.09 0.43 0.21 121.20 129.06 3mka s ILE 141 Ca -0.02 -0.65 -0.08 0.00 -1.10 0.00 0.00 60.65 58.79 3mka s ILE 141 Cb -0.13 -1.46 0.02 0.00 -1.06 0.00 0.00 42.46 39.83 3mka s ILE 141 CO 0.03 0.46 1.00 0.42 -0.10 0.00 0.00 174.94 176.75 3mka s THR 142 N 1.28 3.35 0.51 2.92 -4.23 -0.10 -1.97 115.64 117.39 3mka s THR 142 Ca 0.00 0.16 0.16 0.00 -1.18 0.00 0.00 61.69 60.83 3mka s THR 142 Cb -0.14 -3.39 0.25 0.00 1.34 0.00 0.00 72.50 70.57 3mka s THR 142 CO -0.07 -0.45 2.12 0.10 -0.54 0.00 0.00 174.62 175.78 3mka h TYR 143 N -0.45 0.00 -0.39 3.99 -0.00 -1.84 0.26 116.97 118.55 3mka h TYR 143 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.26 3mka h TYR 143 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.98 3mka h TYR 143 CO 0.46 0.04 0.15 0.22 -0.00 0.00 0.00 178.16 179.03 3mka h ASP 144 N 0.00 0.49 0.00 0.10 -0.00 -1.89 -3.40 116.42 111.71 3mka h ASP 144 Ca -0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 3mka h ASP 144 Cb 0.07 -0.13 0.00 0.00 -0.00 0.00 0.00 39.33 39.27 3mka h ASP 144 CO 0.01 0.45 0.00 0.61 -0.00 0.00 0.00 179.24 180.31 3mka n GLY 145 N -1.19 0.71 3.77 -0.78 0.00 0.93 -4.07 105.19 104.56 3mka n GLY 145 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.87 6.19 0.01 1.61 0.01 -1.26 -4.63 113.70 113.77 3mka s SER 146 Ca 0.00 2.22 0.06 0.00 1.31 0.00 0.00 55.95 59.55 3mka s SER 146 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 3mka s SER 146 CO 0.00 -0.89 -0.19 -0.51 0.41 0.00 0.00 173.24 172.05 3mka s ILE 147 N -1.62 1.55 -0.02 1.44 2.07 -1.26 -0.93 121.20 122.43 3mka s ILE 147 Ca 0.64 -0.96 0.05 0.00 -1.41 0.00 0.00 60.65 58.97 3mka s ILE 147 Cb -0.26 -1.31 -0.01 0.00 0.13 0.00 0.00 42.46 41.01 3mka s ILE 147 CO 0.32 0.33 -0.16 0.00 -1.91 0.00 0.00 174.94 173.52 3mka s ALA 148 N -0.59 1.33 -0.66 1.50 0.00 0.13 -4.95 121.76 118.52 3mka s ALA 148 Ca 0.07 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 3mka s ALA 148 Cb -0.08 -0.38 0.11 0.00 0.00 0.00 0.00 23.12 22.77 3mka s ALA 148 CO 0.00 0.30 0.82 0.34 0.00 0.00 0.00 175.76 177.22 3mka s ASP 149 N -0.23 6.27 -0.18 0.00 -1.08 -1.26 -1.05 116.67 119.13 3mka s ASP 149 Ca 0.03 -1.48 -0.17 0.00 -0.52 0.00 0.00 52.55 50.41 3mka s ASP 149 Cb -0.08 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 39.01 3mka s ASP 149 CO 0.00 -1.15 0.44 -1.61 0.52 0.00 0.00 175.17 173.37 3mka s GLU 150 N 2.85 4.22 0.18 4.34 0.41 -0.47 -5.00 118.70 125.22 3mka s GLU 150 Ca 0.17 0.31 -0.04 0.00 -0.41 0.00 0.00 54.97 54.99 3mka s GLU 150 Cb -0.20 -3.52 0.09 0.00 -1.78 0.00 0.00 34.13 28.73 3mka s GLU 150 CO 0.04 -0.01 1.50 -1.35 -0.49 0.00 0.00 175.26 174.95 3mka h PRO 151 N 7.22 0.61 0.00 0.39 0.11 -1.96 -3.28 132.00 135.08 3mka h PRO 151 Ca -0.37 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.36 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 0.73 0.99 -0.73 0.72 -0.21 0.00 0.00 178.00 179.50 3mka n HIS 152 N -3.97 0.00 -3.58 0.65 8.25 -1.26 -4.87 115.22 110.44 3mka n HIS 152 Ca -0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 3mka n HIS 152 Cb 0.60 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 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 -1.73 -0.33 0.01 4.41 -0.12 -1.26 -0.11 117.98 118.84 3mka s PHE 153 Ca 0.00 0.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.95 3mka s PHE 153 Cb 0.00 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 3mka s PHE 153 CO 0.00 -0.85 -0.07 0.08 -0.05 0.00 0.00 175.22 174.34 3mka s VAL 154 N -3.80 0.50 -0.03 -2.49 1.01 0.14 -4.90 120.40 110.82 3mka s VAL 154 Ca 0.04 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3mka s VAL 154 Cb -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.91 3mka s VAL 154 CO -0.09 -0.02 -0.10 -0.69 0.00 0.00 0.00 175.10 174.20 3mka s VAL 155 N -0.50 0.88 0.02 2.92 1.01 -1.26 -0.96 120.40 122.52 3mka s VAL 155 Ca -0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 3mka s VAL 155 Cb -0.05 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.56 3mka s VAL 155 CO 0.00 0.28 0.25 -0.04 0.00 0.00 0.00 175.10 175.59 3mka s MET 156 N 0.27 0.70 0.00 2.72 -1.94 -0.38 -5.02 119.30 115.64 3mka s MET 156 Ca -0.05 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 3mka s MET 156 Cb -0.10 0.30 0.00 0.00 2.01 0.00 0.00 34.83 37.04 3mka s MET 156 CO 0.01 -0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 3mka n GLY 157 N 0.90 0.67 7.00 -0.03 0.00 -1.26 -0.17 105.19 112.29 3mka n GLY 157 Ca -0.20 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 1.05 2.39 3.50 -0.02 0.00 -0.23 -4.28 105.19 107.59 3mka n GLY 158 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 5.11 -0.16 2.61 -4.23 -1.25 -4.22 115.64 113.50 3mka s THR 159 Ca 0.00 -0.27 -0.18 0.00 -1.18 0.00 0.00 61.69 60.06 3mka s THR 159 Cb 0.00 -3.98 -0.23 0.00 1.34 0.00 0.00 72.50 69.63 3mka s THR 159 CO 0.00 -0.34 0.37 0.71 -0.54 0.00 0.00 174.62 174.82 3mka h THR 160 N 5.68 0.96 -0.69 3.99 1.35 -1.95 -3.41 112.91 118.84 3mka h THR 160 Ca -0.27 -2.27 0.11 0.00 -0.55 0.00 0.00 66.41 63.42 3mka h THR 160 Cb 1.12 2.48 -0.11 0.00 -1.73 0.00 0.00 68.15 69.91 3mka h THR 160 CO 0.77 0.54 -0.26 -0.62 -0.25 0.00 0.00 175.52 175.70 3mka n GLU 161 N -4.15 -0.15 0.13 4.72 4.71 -1.26 0.10 120.64 124.73 3mka n GLU 161 Ca -0.29 1.06 -0.13 0.00 -0.01 0.00 0.00 57.16 57.79 3mka n GLU 161 Cb 0.79 -1.57 -0.06 0.00 -1.01 0.00 0.00 31.44 29.58 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 -0.48 -0.44 3.49 0.13 -1.93 0.65 132.00 133.42 3mka h PRO 162 Ca 0.25 0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.45 3mka h PRO 162 Cb 0.42 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.62 3mka h PRO 162 CO -0.68 -0.32 0.21 0.82 -0.23 0.00 0.00 178.00 177.80 3mka h ILE 163 N -0.50 0.96 0.18 -3.56 2.04 -0.76 -0.39 117.51 115.47 3mka h ILE 163 Ca 0.02 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3mka h ILE 163 Cb 0.51 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3mka h ILE 163 CO -0.13 0.08 -0.14 0.00 0.00 0.00 0.00 178.15 177.96 3mka h ALA 164 N 1.24 -0.30 0.20 1.87 0.00 -0.11 -2.16 119.26 120.00 3mka h ALA 164 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3mka h ALA 164 Cb 0.11 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3mka h ALA 164 CO -0.14 -0.68 -0.09 -0.91 0.00 0.00 0.00 179.25 177.42 3mka h ASN 165 N -0.32 -0.22 -0.91 0.00 2.35 -0.67 -1.50 115.58 114.31 3mka h ASN 165 Ca -0.01 -0.15 0.20 0.00 -0.55 0.00 0.00 56.30 55.80 3mka h ASN 165 Cb 0.29 0.06 -0.12 0.00 0.05 0.00 0.00 38.32 38.60 3mka h ASN 165 CO -0.01 0.02 0.44 0.00 -1.65 0.00 0.00 177.43 176.24 3mka h ALA 166 N 0.28 1.46 -0.75 -0.83 0.00 -1.06 -0.02 119.26 118.34 3mka h ALA 166 Ca -0.03 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 166 Cb 0.36 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3mka h ALA 166 CO 0.04 -0.26 0.30 1.25 0.00 0.00 0.00 179.25 180.59 3mka h LEU 167 N 0.50 1.04 -0.64 0.00 5.85 -1.27 -1.51 115.31 119.28 3mka h LEU 167 Ca 0.55 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 3mka h LEU 167 Cb 0.98 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3mka h LEU 167 CO -0.47 0.93 0.38 0.50 -0.34 0.00 0.00 178.44 179.44 3mka h LYS 168 N 1.08 0.87 -0.61 1.25 3.64 0.03 0.67 116.57 123.51 3mka h LYS 168 Ca 0.25 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3mka h LYS 168 Cb 0.22 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3mka h LYS 168 CO -0.02 0.63 0.04 0.93 -2.27 0.00 0.00 179.45 178.76 3mka h GLU 169 N 0.87 1.03 -0.02 1.90 4.39 -0.73 -3.30 114.58 118.72 3mka h GLU 169 Ca 0.23 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3mka h GLU 169 Cb -0.02 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3mka h GLU 169 CO -0.04 0.98 -0.46 -1.13 -1.16 0.00 0.00 179.01 177.20 3mka n SER 170 N -4.20 2.02 -4.74 1.42 3.41 -0.61 -5.00 113.62 105.91 3mka n SER 170 Ca 0.03 -1.51 -0.41 0.00 -0.26 0.00 0.00 58.87 56.72 3mka n SER 170 Cb 0.32 0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 64.71 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 -2.41 2.99 -0.05 7.33 5.04 0.23 -5.01 117.35 125.46 3mka s TYR 171 Ca 0.18 0.96 0.03 0.00 -2.44 0.00 0.00 57.07 55.80 3mka s TYR 171 Cb 0.18 -3.86 0.01 0.00 0.35 0.00 0.00 41.96 38.64 3mka s TYR 171 CO 0.55 -2.84 -0.13 0.00 -1.34 0.00 0.00 175.55 171.79 3mka s ALA 172 N 0.09 1.25 0.29 3.97 0.00 -1.26 -5.03 121.76 121.08 3mka s ALA 172 Ca 0.61 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 3mka s ALA 172 Cb -0.43 -0.51 -0.10 0.00 0.00 0.00 0.00 23.12 22.08 3mka s ALA 172 CO 0.43 0.15 1.27 -2.00 0.00 0.00 0.00 175.76 175.61 3mka s GLU 173 N 0.46 4.41 -1.47 0.00 2.56 -1.26 -3.27 118.70 120.14 3mka s GLU 173 Ca -0.11 2.11 -0.12 0.00 0.00 0.00 0.00 54.97 56.86 3mka s GLU 173 Cb -0.14 -3.12 0.06 0.00 2.00 0.00 0.00 34.13 32.93 3mka s GLU 173 CO 0.03 -0.13 1.05 0.09 -0.56 0.00 0.00 175.26 175.74 3mka n ASN 174 N 1.26 -5.19 -4.78 -1.70 4.13 -1.26 -4.94 115.26 102.78 3mka n ASN 174 Ca 0.01 -0.70 -0.34 0.00 1.68 0.00 0.00 54.58 55.24 3mka n ASN 174 Cb 0.42 -4.29 0.02 0.00 -1.54 0.00 0.00 39.78 34.40 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 -3.32 2.60 0.85 5.41 0.00 -1.20 -4.25 121.76 121.85 3mka s ALA 175 Ca 0.61 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 3mka s ALA 175 Cb -0.29 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 19.62 3mka s ALA 175 CO 0.80 -1.00 1.10 -1.54 0.00 0.00 0.00 175.76 175.11 3mka s SER 176 N -2.35 3.92 0.15 0.00 1.04 -1.26 -2.34 113.70 112.86 3mka s SER 176 Ca 0.68 1.36 -0.16 0.00 0.48 0.00 0.00 55.95 58.31 3mka s SER 176 Cb -0.20 -2.05 0.02 0.00 0.10 0.00 0.00 66.02 63.88 3mka s SER 176 CO 0.35 -2.34 1.80 0.25 0.98 0.00 0.00 173.24 174.29 3mka h LEU 177 N -1.34 0.49 -0.34 2.42 5.85 -1.99 -1.50 115.31 118.90 3mka h LEU 177 Ca -0.49 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 3mka h LEU 177 Cb 1.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3mka h LEU 177 CO 0.57 0.38 0.07 0.74 -0.34 0.00 0.00 178.44 179.86 3mka h THR 178 N 0.56 1.23 -0.43 1.05 2.02 -1.92 -0.78 112.91 114.64 3mka h THR 178 Ca 0.15 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 3mka h THR 178 Cb -0.04 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3mka h THR 178 CO -0.03 0.27 0.19 0.44 0.37 0.00 0.00 175.52 176.76 3mka h ASP 179 N 0.39 0.58 -0.65 4.18 3.32 -1.90 -0.45 116.42 121.89 3mka h ASP 179 Ca 0.10 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3mka h ASP 179 Cb 0.33 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3mka h ASP 179 CO 0.00 0.56 0.31 0.00 -1.72 0.00 0.00 179.24 178.40 3mka h ALA 180 N 1.04 0.84 -0.61 3.45 0.00 -1.23 -0.65 119.26 122.10 3mka h ALA 180 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3mka h ALA 180 Cb 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3mka h ALA 180 CO -0.02 0.41 0.33 1.25 0.00 0.00 0.00 179.25 181.23 3mka h LEU 181 N 0.90 0.76 -0.62 0.00 5.85 -0.71 -0.34 115.31 121.16 3mka h LEU 181 Ca 0.22 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3mka h LEU 181 Cb 0.13 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3mka h LEU 181 CO -0.03 0.64 0.29 0.03 -0.34 0.00 0.00 178.44 179.03 3mka h ARG 182 N 0.83 0.91 -0.61 1.25 3.08 -0.65 -0.49 114.38 118.69 3mka h ARG 182 Ca 0.22 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3mka h ARG 182 Cb 0.05 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3mka h ARG 182 CO -0.03 0.74 0.34 0.82 -1.07 0.00 0.00 179.97 180.77 3mka h ILE 183 N 0.86 1.19 -0.64 2.04 2.04 -0.73 -0.77 117.51 121.51 3mka h ILE 183 Ca 0.21 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3mka h ILE 183 Cb 0.14 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3mka h ILE 183 CO -0.02 0.21 0.32 0.00 0.00 0.00 0.00 178.15 178.66 3mka h ALA 184 N 1.16 0.82 -0.56 1.87 0.00 -0.64 -1.47 119.26 120.44 3mka h ALA 184 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 184 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3mka h ALA 184 CO -0.04 0.37 0.29 0.28 0.00 0.00 0.00 179.25 180.15 3mka h VAL 185 N 0.87 1.20 -0.37 0.00 2.07 -0.66 -1.51 116.25 117.86 3mka h VAL 185 Ca 0.22 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3mka h VAL 185 Cb 0.10 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3mka h VAL 185 CO -0.03 0.22 0.13 0.00 0.02 0.00 0.00 177.57 177.90 3mka h ALA 186 N 1.12 0.43 -0.78 1.67 0.00 -0.75 -1.55 119.26 119.40 3mka h ALA 186 Ca 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3mka h ALA 186 Cb 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3mka h ALA 186 CO -0.03 -0.27 0.35 0.00 0.00 0.00 0.00 179.25 179.31 3mka h ALA 187 N 1.24 1.15 -0.65 0.00 0.00 -1.00 -2.69 119.26 117.31 3mka h ALA 187 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3mka h ALA 187 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3mka h ALA 187 CO -0.17 0.63 0.27 -0.07 0.00 0.00 0.00 179.25 179.91 3mka h LEU 188 N 1.11 0.88 -0.91 0.00 3.38 -0.63 -2.36 115.31 116.79 3mka h LEU 188 Ca 0.27 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3mka h LEU 188 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3mka h LEU 188 CO -0.03 0.80 0.28 0.08 0.09 0.00 0.00 178.44 179.66 3mka h ARG 189 N 0.91 1.08 -0.79 1.13 0.11 -1.05 0.79 114.38 116.55 3mka h ARG 189 Ca 0.22 -0.19 -0.01 0.00 0.10 0.00 0.00 59.98 60.10 3mka h ARG 189 Cb 0.18 -0.18 -0.04 0.00 1.11 0.00 0.00 29.97 31.05 3mka h ARG 189 CO -0.02 0.88 0.45 0.00 0.10 0.00 0.00 179.97 181.38 3mka h ALA 190 N 1.25 1.01 -0.69 0.08 0.00 -1.24 -1.74 119.26 117.94 3mka h ALA 190 Ca 0.24 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 190 Cb 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3mka h ALA 190 CO -0.02 0.51 0.18 0.78 0.00 0.00 0.00 179.25 180.69 3mka h GLY 191 N 1.09 1.16 0.00 0.00 0.00 -0.83 -3.45 103.07 101.05 3mka h GLY 191 Ca 0.28 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3mka h GLY 191 CO -0.05 0.66 0.00 -1.26 0.00 0.00 0.00 176.54 175.89 3mka n SER 192 N -4.24 0.00 0.00 0.19 2.88 0.20 -4.81 113.62 107.84 3mka n SER 192 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3mka n SER 192 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 3mka n SER 192 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3mka n LEU 203 N 0.00 0.00 0.00 2.46 -0.00 -1.26 -4.99 117.00 113.20 3mka n LEU 203 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 3mka n LEU 203 Cb 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 3mka n LEU 203 CO 0.00 -0.01 0.46 0.61 -0.00 0.00 0.00 177.39 178.45 3mka n GLY 204 N -0.99 1.20 0.58 -3.96 0.00 -1.26 -5.07 105.19 95.69 3mka n GLY 204 Ca 0.00 -1.33 0.38 0.00 0.00 0.00 0.00 46.02 45.07 3mka n GLY 204 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mka h VAL 205 N 1.99 0.12 -0.68 1.61 2.07 -1.96 -0.57 116.25 118.82 3mka h VAL 205 Ca -0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3mka h VAL 205 Cb 1.22 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3mka h VAL 205 CO 0.41 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.00 3mka n ALA 206 N -2.60 2.37 -0.75 1.67 0.00 -1.26 -3.95 120.51 116.00 3mka n ALA 206 Ca 0.30 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3mka n ALA 206 Cb 1.56 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 1.59 0.46 -4.42 0.00 3.41 -0.27 -4.74 113.62 109.66 3mka n SER 207 Ca 0.23 -1.21 -0.29 0.00 -0.26 0.00 0.00 58.87 57.34 3mka n SER 207 Cb 0.61 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.21 2.45 -0.17 1.04 1.02 -0.93 -0.43 118.68 121.45 3mka s LEU 208 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 54.13 53.50 3mka s LEU 208 Cb 0.00 -1.35 0.04 0.00 0.02 0.00 0.00 46.19 44.90 3mka s LEU 208 CO 0.00 0.19 -0.09 -0.70 0.02 0.00 0.00 176.35 175.77 3mka s GLU 209 N -1.98 1.87 0.03 1.70 2.12 -0.21 -4.74 118.70 117.48 3mka s GLU 209 Ca 0.15 -0.63 0.05 0.00 0.36 0.00 0.00 54.97 54.91 3mka s GLU 209 Cb -0.10 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.12 3mka s GLU 209 CO 0.07 -0.37 -0.16 0.08 -0.54 0.00 0.00 175.26 174.34 3mka s VAL 210 N 1.52 1.24 0.14 3.70 1.01 -1.26 -1.28 120.40 125.46 3mka s VAL 210 Ca 0.01 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 3mka s VAL 210 Cb -0.15 -1.10 0.07 0.00 0.00 0.00 0.00 36.38 35.20 3mka s VAL 210 CO -0.09 0.10 0.71 0.00 0.00 0.00 0.00 175.10 175.82 3mka s ALA 211 N -0.76 -1.59 0.06 5.51 0.00 -0.84 -1.74 121.76 122.40 3mka s ALA 211 Ca 0.03 0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.37 3mka s ALA 211 Cb -0.08 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 3mka s ALA 211 CO 0.01 -0.82 0.11 0.14 0.00 0.00 0.00 175.76 175.20 3mka s VAL 212 N -3.60 0.15 -0.26 0.00 -7.23 0.77 -0.91 120.40 109.31 3mka s VAL 212 Ca 0.04 -1.26 -0.06 0.00 -1.81 0.00 0.00 61.98 58.89 3mka s VAL 212 Cb -0.02 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 3mka s VAL 212 CO -0.08 -0.70 0.05 -0.76 -0.31 0.00 0.00 175.10 173.31 3mka s LEU 213 N -2.57 3.49 -0.24 1.32 1.43 -0.49 -0.51 118.68 121.12 3mka s LEU 213 Ca 0.01 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3mka s LEU 213 Cb 0.03 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3mka s LEU 213 CO -0.08 -0.10 0.03 -0.62 0.23 0.00 0.00 176.35 175.81 3mka s ASP 214 N 1.53 4.87 0.47 2.29 2.15 0.42 -2.22 116.67 126.19 3mka s ASP 214 Ca 0.04 -0.26 0.18 0.00 0.43 0.00 0.00 52.55 52.94 3mka s ASP 214 Cb -0.16 -1.87 1.16 0.00 -0.30 0.00 0.00 42.92 41.75 3mka s ASP 214 CO 0.01 -0.03 2.03 0.00 -0.17 0.00 0.00 175.17 177.01 3mka h ALA 215 N 8.18 1.60 -0.36 3.66 0.00 -1.80 -2.43 119.26 128.11 3mka h ALA 215 Ca -0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3mka h ALA 215 Cb 1.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3mka h ALA 215 CO 0.59 0.19 0.04 -0.97 0.00 0.00 0.00 179.25 179.10 3mka h ASN 216 N 0.00 0.51 -3.98 0.00 -1.24 -1.93 -3.39 115.58 105.54 3mka h ASN 216 Ca -0.00 -0.08 -0.54 0.00 0.71 0.00 0.00 56.30 56.38 3mka h ASN 216 Cb 0.30 -0.13 0.12 0.00 0.73 0.00 0.00 38.32 39.34 3mka h ASN 216 CO 0.02 0.55 0.72 -0.13 -1.29 0.00 0.00 177.43 177.30 3mka s ARG 217 N -5.05 3.77 0.14 6.67 1.81 -0.92 -4.94 118.95 120.44 3mka s ARG 217 Ca -0.08 2.45 -0.15 0.00 -1.72 0.00 0.00 55.73 56.23 3mka s ARG 217 Cb 0.16 -2.72 0.01 0.00 -0.45 0.00 0.00 34.95 31.95 3mka s ARG 217 CO 0.76 -0.76 1.68 -1.00 -0.68 0.00 0.00 175.30 175.30 3mka h PRO 218 N 2.46 0.67 0.00 3.54 0.13 -1.88 -3.39 132.00 133.52 3mka h PRO 218 Ca -0.51 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3mka h PRO 218 Cb 1.26 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3mka h PRO 218 CO 0.62 0.63 0.00 -2.13 -0.23 0.00 0.00 178.00 176.88 3mka n ARG 219 N -4.59 0.00 -2.71 0.86 0.63 -1.26 -4.28 116.66 105.30 3mka n ARG 219 Ca 0.01 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3mka n ARG 219 Cb 0.16 -0.02 -0.03 0.00 0.45 0.00 0.00 32.46 33.02 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 -1.08 3.28 0.24 -0.14 0.52 -1.26 -4.30 118.95 116.21 3mka s ARG 220 Ca 0.00 -0.28 -0.05 0.00 -0.52 0.00 0.00 55.73 54.88 3mka s ARG 220 Cb 0.00 -4.12 0.25 0.00 0.52 0.00 0.00 34.95 31.60 3mka s ARG 220 CO 0.00 -1.77 1.77 0.00 0.02 0.00 0.00 175.30 175.31 3mka h ALA 221 N 9.60 1.07 -2.60 2.13 0.00 -1.40 -3.45 119.26 124.61 3mka h ALA 221 Ca -0.27 -0.23 -0.55 0.00 0.00 0.00 0.00 54.91 53.86 3mka h ALA 221 Cb 1.06 -0.25 0.08 0.00 0.00 0.00 0.00 17.79 18.69 3mka h ALA 221 CO 1.18 0.62 0.81 0.34 0.00 0.00 0.00 179.25 182.19 3mka n PHE 222 N -4.25 2.61 -3.69 0.00 7.35 -1.25 -0.43 117.46 117.80 3mka n PHE 222 Ca 0.05 0.29 -0.11 0.00 -0.76 0.00 0.00 57.45 56.92 3mka n PHE 222 Cb 0.25 -2.56 -0.10 0.00 0.35 0.00 0.00 39.48 37.42 3mka n PHE 222 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3mka s ARG 223 N -0.26 0.50 -0.18 -4.13 0.52 0.34 -4.93 118.95 110.81 3mka s ARG 223 Ca 0.67 0.83 -0.18 0.00 -0.52 0.00 0.00 55.73 56.53 3mka s ARG 223 Cb -0.55 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 34.98 3mka s ARG 223 CO 0.47 -0.13 0.48 1.03 0.02 0.00 0.00 175.30 177.17 3mka s ARG 224 N 1.08 4.22 -0.41 3.54 0.52 -1.26 -0.17 118.95 126.48 3mka s ARG 224 Ca -0.07 0.37 -0.18 0.00 -0.52 0.00 0.00 55.73 55.34 3mka s ARG 224 Cb -0.06 -3.52 0.02 0.00 0.52 0.00 0.00 34.95 31.90 3mka s ARG 224 CO -0.10 -0.05 0.48 0.42 0.02 0.00 0.00 175.30 176.08 3mka s ILE 225 N 1.30 5.03 0.18 1.52 1.01 -0.71 -4.97 121.20 124.56 3mka s ILE 225 Ca 0.23 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.82 3mka s ILE 225 Cb -0.15 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3mka s ILE 225 CO 0.09 -0.41 -0.13 0.28 0.00 0.00 0.00 174.94 174.78 3mka s THR 226 N 2.31 1.52 0.00 2.92 -1.32 -1.26 -4.35 115.64 115.45 3mka s THR 226 Ca 0.15 -2.13 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 3mka s THR 226 Cb -0.16 -1.95 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 3mka s THR 226 CO 0.15 -0.64 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 3mka n GLY 227 N -0.27 1.98 0.24 6.08 0.00 -1.26 -2.49 105.19 109.46 3mka n GLY 227 Ca -0.09 0.49 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 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 0.70 -0.72 1.61 0.02 -2.00 -1.34 113.55 111.82 3mka h SER 228 Ca 0.00 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3mka h SER 228 Cb 0.00 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3mka h SER 228 CO 0.00 0.59 0.27 0.00 -1.14 0.00 0.00 176.83 176.55 3mka h ALA 229 N 1.14 0.94 -0.30 3.77 0.00 -1.90 -2.83 119.26 120.08 3mka h ALA 229 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 229 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3mka h ALA 229 CO -0.03 0.58 0.10 1.25 0.00 0.00 0.00 179.25 181.15 3mka h LEU 230 N 1.05 0.43 -0.99 0.00 5.85 -1.40 -2.99 115.31 117.26 3mka h LEU 230 Ca 0.24 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3mka h LEU 230 Cb 0.24 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3mka h LEU 230 CO -0.02 0.51 0.64 -0.61 -0.34 0.00 0.00 178.44 178.63 3mka h GLN 231 N 0.33 1.21 -0.76 1.25 5.75 -1.11 -2.50 115.11 119.28 3mka h GLN 231 Ca 0.10 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3mka h GLN 231 Cb 0.23 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3mka h GLN 231 CO -0.00 0.80 0.33 0.00 -2.65 0.00 0.00 178.83 177.30 3mka h ALA 232 N 1.41 1.15 -0.82 3.38 0.00 -1.46 -3.04 119.26 119.88 3mka h ALA 232 Ca 0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3mka h ALA 232 Cb 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3mka h ALA 232 CO -0.13 0.62 0.40 -0.07 0.00 0.00 0.00 179.25 180.08 3mka h LEU 233 N 1.09 1.06 -0.79 0.00 3.38 -1.30 -2.40 115.31 116.36 3mka h LEU 233 Ca 0.26 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3mka h LEU 233 Cb 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3mka h LEU 233 CO -0.03 0.89 0.38 0.25 0.09 0.00 0.00 178.44 180.02 3mka h LEU 234 N 1.16 1.03 0.00 1.67 5.85 -1.48 -3.45 115.31 120.09 3mka h LEU 234 Ca 0.28 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3mka h LEU 234 Cb 0.10 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3mka h LEU 234 CO -0.04 0.87 0.00 0.52 -0.34 0.00 0.00 178.44 179.46