#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imf n LYS 2 N 0.00 0.00 0.00 0.00 4.81 -1.26 -3.54 118.16 118.17 3imf n LYS 2 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 3imf n LYS 2 Cb 0.00 -1.08 0.02 0.00 0.02 0.00 0.00 35.03 33.99 3imf n LYS 2 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3imf n GLU 3 N -0.10 1.50 -2.77 1.64 1.02 -1.26 -4.59 120.64 116.08 3imf n GLU 3 Ca 0.00 -1.24 -0.29 0.00 -0.02 0.00 0.00 57.16 55.61 3imf n GLU 3 Cb 0.00 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 3imf n GLU 3 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3imf s LYS 4 N -2.36 3.67 -0.15 3.49 1.02 -1.23 -4.91 119.74 119.28 3imf s LYS 4 Ca 0.21 0.35 0.02 0.00 0.02 0.00 0.00 55.97 56.57 3imf s LYS 4 Cb 0.19 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 3imf s LYS 4 CO 0.50 -0.10 -0.21 0.08 -0.92 0.00 0.00 175.35 174.70 3imf s VAL 5 N -2.52 2.07 -0.15 3.17 1.01 -1.26 -0.79 120.40 121.92 3imf s VAL 5 Ca 0.49 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3imf s VAL 5 Cb -0.10 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3imf s VAL 5 CO 0.37 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 175.14 3imf s VAL 6 N 0.95 2.30 -0.22 2.92 1.01 -0.11 -0.74 120.40 126.51 3imf s VAL 6 Ca -0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 3imf s VAL 6 Cb -0.15 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 3imf s VAL 6 CO -0.05 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.09 3imf s ILE 7 N 0.87 5.33 -0.24 2.22 1.01 0.25 -0.16 121.20 130.47 3imf s ILE 7 Ca -0.05 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.78 3imf s ILE 7 Cb -0.15 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 38.92 3imf s ILE 7 CO -0.02 0.39 -0.08 -0.63 0.00 0.00 0.00 174.94 174.60 3imf s ILE 8 N 0.74 1.76 0.37 2.92 1.01 0.30 -0.28 121.20 128.03 3imf s ILE 8 Ca 0.07 -1.34 -0.24 0.00 0.00 0.00 0.00 60.65 59.14 3imf s ILE 8 Cb -0.12 -1.96 -0.10 0.00 0.01 0.00 0.00 42.46 40.30 3imf s ILE 8 CO 0.02 -0.05 1.00 0.42 0.00 0.00 0.00 174.94 176.33 3imf s THR 9 N 1.29 3.96 -1.33 2.92 -4.23 -0.83 -2.06 115.64 115.36 3imf s THR 9 Ca -0.06 1.51 -0.08 0.00 -1.18 0.00 0.00 61.69 61.88 3imf s THR 9 Cb -0.19 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 69.87 3imf s THR 9 CO -0.06 0.02 1.15 0.61 -0.54 0.00 0.00 174.62 175.81 3imf n GLY 10 N 0.32 -0.51 0.77 3.99 0.00 -0.94 -2.34 105.19 106.47 3imf n GLY 10 Ca 0.04 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.36 3imf n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imf n GLY 11 N -1.87 0.94 0.27 -0.02 0.00 -0.85 -4.21 105.19 99.45 3imf n GLY 11 Ca -0.04 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3imf n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3imf n SER 12 N 0.72 1.19 -3.81 1.61 3.41 -1.26 -3.20 113.62 112.29 3imf n SER 12 Ca 0.14 -0.98 -0.08 0.00 -0.26 0.00 0.00 58.87 57.69 3imf n SER 12 Cb 0.35 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 3imf n SER 12 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3imf s SER 13 N -2.54 -0.28 0.00 4.04 1.04 -1.26 -4.59 113.70 110.11 3imf s SER 13 Ca 0.22 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3imf s SER 13 Cb 0.19 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.99 3imf s SER 13 CO 0.55 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3imf n GLY 14 N -0.43 -0.27 4.06 7.32 0.00 -1.26 -2.60 105.19 112.01 3imf n GLY 14 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3imf n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imf n GLY 16 N 0.00 0.00 0.18 -0.02 0.00 -1.26 -1.97 105.19 102.12 3imf n GLY 16 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3imf n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3imf h LYS 17 N 0.00 0.18 -0.24 1.61 3.64 -1.46 -1.44 116.57 118.86 3imf h LYS 17 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3imf h LYS 17 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3imf h LYS 17 CO 0.00 0.63 0.00 0.41 -2.27 0.00 0.00 179.45 178.22 3imf n GLY 18 N -0.03 0.20 1.44 5.01 0.00 -0.83 -0.84 105.19 110.13 3imf n GLY 18 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3imf n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imf n ALA 20 N 0.46 0.00 -0.15 4.61 0.00 -0.54 -2.58 120.51 122.31 3imf n ALA 20 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3imf n ALA 20 Cb 0.04 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.53 3imf n ALA 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3imf h THR 21 N 0.00 0.88 -0.04 0.00 2.02 -1.26 -0.92 112.91 113.60 3imf h THR 21 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3imf h THR 21 Cb 0.00 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3imf h THR 21 CO 0.00 0.07 0.00 -0.09 0.37 0.00 0.00 175.52 175.87 3imf h ARG 22 N 0.38 0.06 -0.91 6.66 9.65 -1.76 -1.65 114.38 126.81 3imf h ARG 22 Ca 0.22 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.08 3imf h ARG 22 Cb 0.19 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.72 3imf h ARG 22 CO -0.20 0.33 0.59 0.74 2.80 0.00 0.00 179.97 184.23 3imf h PHE 23 N -0.22 1.15 -0.52 2.20 0.04 -1.84 -1.74 116.94 116.02 3imf h PHE 23 Ca 0.01 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 3imf h PHE 23 Cb 0.30 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3imf h PHE 23 CO 0.02 0.73 -0.14 0.00 -0.60 0.00 0.00 178.31 178.32 3imf h ALA 24 N 1.42 0.71 -0.03 2.45 0.00 -1.11 -1.81 119.26 120.88 3imf h ALA 24 Ca 0.33 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3imf h ALA 24 Cb -0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3imf h ALA 24 CO -0.07 0.66 -0.17 0.87 0.00 0.00 0.00 179.25 180.54 3imf h LYS 25 N 0.88 0.05 -0.00 0.00 1.57 -0.80 -0.15 116.57 118.11 3imf h LYS 25 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3imf h LYS 25 Cb 0.72 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3imf h LYS 25 CO 0.06 0.22 0.00 0.39 -0.57 0.00 0.00 179.45 179.54 3imf n GLU 26 N -4.32 1.09 -0.43 3.15 -0.58 -0.70 -4.92 120.64 113.94 3imf n GLU 26 Ca -0.02 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 3imf n GLU 26 Cb 0.25 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3imf n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3imf n GLY 27 N 1.01 0.74 3.81 0.62 0.00 -0.07 -4.20 105.19 107.10 3imf n GLY 27 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3imf n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imf s ALA 28 N -2.52 2.58 0.10 4.61 0.00 -0.72 -4.41 121.76 121.41 3imf s ALA 28 Ca 0.00 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.84 3imf s ALA 28 Cb 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 3imf s ALA 28 CO 0.00 -1.34 0.80 1.03 0.00 0.00 0.00 175.76 176.25 3imf s ARG 29 N -4.98 4.56 -0.07 0.00 1.81 0.03 -4.48 118.95 115.82 3imf s ARG 29 Ca 0.59 1.16 0.03 0.00 -1.72 0.00 0.00 55.73 55.79 3imf s ARG 29 Cb -0.15 -3.33 0.01 0.00 -0.45 0.00 0.00 34.95 31.03 3imf s ARG 29 CO 0.55 0.37 -0.16 0.08 -0.68 0.00 0.00 175.30 175.46 3imf s VAL 30 N -0.43 1.39 -0.25 3.52 1.01 -0.73 -0.93 120.40 123.98 3imf s VAL 30 Ca 0.39 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3imf s VAL 30 Cb -0.22 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3imf s VAL 30 CO 0.25 0.41 0.02 -0.69 0.00 0.00 0.00 175.10 175.10 3imf s VAL 31 N 0.55 3.80 -0.08 2.92 1.01 0.77 -0.81 120.40 128.56 3imf s VAL 31 Ca -0.15 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3imf s VAL 31 Cb -0.16 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 3imf s VAL 31 CO 0.05 0.31 -0.09 0.27 0.00 0.00 0.00 175.10 175.64 3imf s ILE 32 N 1.52 3.50 0.20 2.22 -4.36 -0.23 -0.54 121.20 123.52 3imf s ILE 32 Ca 0.05 -0.55 0.09 0.00 -0.26 0.00 0.00 60.65 59.98 3imf s ILE 32 Cb -0.15 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 3imf s ILE 32 CO 0.00 0.58 -0.08 0.42 0.24 0.00 0.00 174.94 176.11 3imf s THR 33 N -0.59 3.23 -0.06 8.37 -4.23 -0.87 -1.03 115.64 120.46 3imf s THR 33 Ca 0.09 -1.73 -0.32 0.00 -1.18 0.00 0.00 61.69 58.54 3imf s THR 33 Cb -0.12 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.23 3imf s THR 33 CO 0.02 -0.18 1.36 -0.83 -0.54 0.00 0.00 174.62 174.45 3imf s GLY 34 N -3.04 -0.45 0.14 3.99 0.00 -0.96 -2.01 107.32 105.00 3imf s GLY 34 Ca 0.27 0.86 0.20 0.00 0.00 0.00 0.00 44.72 46.05 3imf s GLY 34 CO 0.16 0.16 0.94 0.54 0.00 0.00 0.00 173.10 174.91 3imf n ARG 35 N -0.48 0.61 -4.75 2.90 5.12 -1.26 -4.14 116.66 114.66 3imf n ARG 35 Ca -0.09 0.15 -0.33 0.00 -1.93 0.00 0.00 57.85 55.65 3imf n ARG 35 Cb 0.63 -1.81 -0.15 0.00 -1.16 0.00 0.00 32.46 29.97 3imf n ARG 35 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3imf s THR 36 N -3.21 2.74 0.16 0.55 -4.23 -1.26 -5.02 115.64 105.37 3imf s THR 36 Ca -0.02 -0.76 -0.15 0.00 -1.18 0.00 0.00 61.69 59.58 3imf s THR 36 Cb 0.09 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 71.83 3imf s THR 36 CO 0.80 0.53 1.81 0.50 -0.54 0.00 0.00 174.62 177.72 3imf h LYS 37 N 6.95 0.61 -0.30 3.99 3.64 -2.00 -2.73 116.57 126.73 3imf h LYS 37 Ca -0.27 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.10 3imf h LYS 37 Cb 1.21 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 3imf h LYS 37 CO 0.55 0.42 0.07 0.93 -2.27 0.00 0.00 179.45 179.14 3imf h GLU 38 N 0.62 0.18 -0.47 1.90 4.39 -1.99 -1.00 114.58 118.20 3imf h GLU 38 Ca 0.17 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 3imf h GLU 38 Cb -0.05 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3imf h GLU 38 CO -0.03 0.12 -0.05 0.87 -1.16 0.00 0.00 179.01 178.75 3imf h LYS 39 N 0.18 0.81 -0.52 2.33 1.57 -1.93 -1.70 116.57 117.31 3imf h LYS 39 Ca 0.14 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3imf h LYS 39 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3imf h LYS 39 CO -0.17 0.85 0.22 -0.07 -0.57 0.00 0.00 179.45 179.71 3imf h LEU 40 N 0.75 0.71 -0.85 2.94 3.38 -1.14 -0.65 115.31 120.44 3imf h LEU 40 Ca 0.14 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3imf h LEU 40 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3imf h LEU 40 CO 0.03 0.67 -0.34 -0.33 0.09 0.00 0.00 178.44 178.56 3imf h GLU 41 N 0.70 0.45 -0.09 1.13 5.08 -0.97 -1.06 114.58 119.82 3imf h GLU 41 Ca 0.18 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3imf h GLU 41 Cb 0.17 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3imf h GLU 41 CO -0.02 0.74 -0.01 1.49 -1.00 0.00 0.00 179.01 180.21 3imf h GLU 42 N 0.38 0.16 -0.57 2.33 4.81 -1.11 -2.39 114.58 118.19 3imf h GLU 42 Ca 0.04 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3imf h GLU 42 Cb 0.78 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 3imf h GLU 42 CO 0.06 0.44 0.28 0.00 -0.73 0.00 0.00 179.01 179.07 3imf h ALA 43 N 0.71 0.74 0.03 2.92 0.00 -1.01 -2.31 119.26 120.33 3imf h ALA 43 Ca 0.02 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3imf h ALA 43 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3imf h ALA 43 CO 0.01 0.30 -0.15 -0.22 0.00 0.00 0.00 179.25 179.19 3imf h LYS 44 N 0.78 -0.25 -1.00 0.00 3.64 -1.14 -1.29 116.57 117.31 3imf h LYS 44 Ca 0.20 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.69 3imf h LYS 44 Cb 0.11 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 3imf h LYS 44 CO -0.03 -0.16 0.64 -0.07 -2.27 0.00 0.00 179.45 177.56 3imf h LEU 45 N -0.26 0.98 -0.55 5.20 3.38 -1.32 -0.10 115.31 122.64 3imf h LEU 45 Ca 0.04 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3imf h LEU 45 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3imf h LEU 45 CO -0.12 0.57 -0.54 -0.08 0.09 0.00 0.00 178.44 178.35 3imf h GLU 46 N 1.08 0.52 0.00 1.13 4.81 -0.93 -3.36 114.58 117.83 3imf h GLU 46 Ca 0.47 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3imf h GLU 46 Cb 0.35 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3imf h GLU 46 CO -0.22 0.93 -1.65 0.44 -0.73 0.00 0.00 179.01 177.78 3imf n ILE 47 N -3.96 0.00 -2.09 2.32 -5.35 -0.53 -4.99 119.36 104.76 3imf n ILE 47 Ca -0.03 -0.35 -0.42 0.00 -0.27 0.00 0.00 62.75 61.68 3imf n ILE 47 Cb 0.60 0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.74 3imf n ILE 47 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3imf s GLU 48 N -3.19 4.30 -0.08 6.28 2.12 -0.09 -4.75 118.70 123.29 3imf s GLU 48 Ca -0.04 2.19 0.20 0.00 0.36 0.00 0.00 54.97 57.68 3imf s GLU 48 Cb 0.13 -3.17 -0.27 0.00 0.26 0.00 0.00 34.13 31.08 3imf s GLU 48 CO 0.78 -0.40 0.37 1.04 -0.54 0.00 0.00 175.26 176.51 3imf n GLN 49 N 3.01 0.67 -3.62 4.30 1.13 -1.26 -5.00 117.38 116.61 3imf n GLN 49 Ca 0.09 -0.06 -0.16 0.00 -1.94 0.00 0.00 57.00 54.93 3imf n GLN 49 Cb 0.41 -1.57 -0.07 0.00 0.11 0.00 0.00 30.24 29.13 3imf n GLN 49 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3imf s PHE 50 N -3.02 -0.45 -0.10 1.08 -0.12 -1.26 -5.10 117.98 109.01 3imf s PHE 50 Ca -0.08 0.72 -0.38 0.00 -0.05 0.00 0.00 56.93 57.14 3imf s PHE 50 Cb 0.10 0.28 -0.15 0.00 -0.63 0.00 0.00 43.02 42.61 3imf s PHE 50 CO 0.86 -0.53 1.61 -2.30 -0.05 0.00 0.00 175.22 174.81 3imf n PRO 51 N 1.00 1.33 -0.89 1.99 -0.02 -1.26 -1.60 135.00 135.55 3imf n PRO 51 Ca -0.20 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3imf n PRO 51 Cb 0.57 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3imf n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3imf n GLY 52 N 3.57 0.72 0.20 -1.23 0.00 -1.26 -4.91 105.19 102.28 3imf n GLY 52 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 3imf n GLY 52 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3imf h GLN 53 N 2.14 0.38 -5.29 1.61 4.15 -1.69 -3.43 115.11 112.98 3imf h GLN 53 Ca 0.00 -0.21 -0.63 0.00 0.77 0.00 0.00 58.65 58.58 3imf h GLN 53 Cb 0.00 0.01 -0.19 0.00 0.21 0.00 0.00 27.48 27.52 3imf h GLN 53 CO 0.00 0.78 -0.61 0.42 -1.93 0.00 0.00 178.83 177.49 3imf s ILE 54 N -4.03 4.35 -0.20 2.39 -1.09 -1.26 -1.78 121.20 119.57 3imf s ILE 54 Ca -0.06 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.14 3imf s ILE 54 Cb 0.12 -2.94 -0.01 0.00 -1.58 0.00 0.00 42.46 38.06 3imf s ILE 54 CO 0.80 0.48 -0.07 -0.22 -1.23 0.00 0.00 174.94 174.70 3imf s LEU 55 N 0.37 2.79 -0.12 2.97 2.96 0.01 -4.99 118.68 122.67 3imf s LEU 55 Ca -0.00 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 3imf s LEU 55 Cb -0.13 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 3imf s LEU 55 CO 0.02 0.01 0.26 0.42 -1.32 0.00 0.00 176.35 175.73 3imf s THR 56 N 1.32 5.31 -0.16 3.68 -4.23 -1.26 -1.06 115.64 119.24 3imf s THR 56 Ca 0.04 0.48 -0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3imf s THR 56 Cb -0.14 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.17 3imf s THR 56 CO -0.03 0.49 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.78 3imf s VAL 57 N -0.25 1.17 -0.19 2.29 1.01 -0.19 -4.96 120.40 119.26 3imf s VAL 57 Ca 0.17 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 3imf s VAL 57 Cb -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3imf s VAL 57 CO 0.05 0.19 0.76 -1.58 0.00 0.00 0.00 175.10 174.52 3imf s GLN 58 N 1.62 4.24 -0.06 2.72 0.74 -1.26 -2.26 119.66 125.40 3imf s GLN 58 Ca 0.01 0.86 -0.01 0.00 0.05 0.00 0.00 55.36 56.27 3imf s GLN 58 Cb -0.15 -3.59 0.03 0.00 1.10 0.00 0.00 33.01 30.40 3imf s GLN 58 CO -0.08 -0.34 0.01 0.34 -0.55 0.00 0.00 175.29 174.68 3imf s ASP 60 N 1.22 1.36 0.08 6.67 -1.08 -1.26 -4.96 116.67 118.70 3imf s ASP 60 Ca 0.34 -0.04 0.11 0.00 -0.52 0.00 0.00 52.55 52.44 3imf s ASP 60 Cb -0.16 -0.35 0.52 0.00 -1.46 0.00 0.00 42.92 41.47 3imf s ASP 60 CO 0.11 -0.20 1.35 1.33 0.52 0.00 0.00 175.17 178.28 3imf n VAL 61 N 5.07 1.35 1.00 1.11 0.24 -1.26 -1.29 118.33 124.56 3imf n VAL 61 Ca -0.08 0.41 0.13 0.00 -2.04 0.00 0.00 64.34 62.76 3imf n VAL 61 Cb 0.50 -1.31 0.48 0.00 -1.47 0.00 0.00 33.84 32.04 3imf n VAL 61 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3imf n ARG 62 N -1.70 0.00 -3.59 7.34 1.74 -1.26 -4.33 116.66 114.86 3imf n ARG 62 Ca 0.01 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 3imf n ARG 62 Cb 0.10 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.93 3imf n ARG 62 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3imf s ASN 63 N -3.00 5.73 0.44 0.55 3.84 -0.41 -4.96 114.94 117.13 3imf s ASN 63 Ca 0.13 -1.17 0.14 0.00 0.21 0.00 0.00 52.86 52.18 3imf s ASN 63 Cb 0.18 -2.02 0.99 0.00 -0.55 0.00 0.00 41.25 39.86 3imf s ASN 63 CO 0.59 -0.45 1.99 0.71 -2.79 0.00 0.00 177.10 177.16 3imf h THR 64 N 5.94 1.13 -0.53 -5.21 1.35 -1.85 -1.38 112.91 112.36 3imf h THR 64 Ca -0.25 -0.63 -0.10 0.00 -0.55 0.00 0.00 66.41 64.88 3imf h THR 64 Cb 1.10 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.83 3imf h THR 64 CO 0.71 0.18 -0.06 0.44 -0.25 0.00 0.00 175.52 176.53 3imf h ASP 65 N 0.01 0.95 -0.58 5.36 3.32 -1.95 -1.15 116.42 122.38 3imf h ASP 65 Ca -0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3imf h ASP 65 Cb 0.33 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3imf h ASP 65 CO 0.02 1.04 0.32 0.44 -1.72 0.00 0.00 179.24 179.34 3imf h ASP 66 N 0.87 0.73 -0.31 6.45 5.19 -1.60 -1.49 116.42 126.26 3imf h ASP 66 Ca 0.15 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3imf h ASP 66 Cb 0.60 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 3imf h ASP 66 CO 0.04 0.61 0.17 0.40 -3.12 0.00 0.00 179.24 177.35 3imf h ILE 67 N 0.79 1.13 -0.48 0.35 2.04 -1.17 -2.95 117.51 117.21 3imf h ILE 67 Ca 0.20 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.81 3imf h ILE 67 Cb 0.05 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3imf h ILE 67 CO -0.03 0.13 0.14 -0.61 0.00 0.00 0.00 178.15 177.77 3imf h GLN 68 N 0.39 0.28 -0.87 2.37 5.75 -1.05 -1.55 115.11 120.43 3imf h GLN 68 Ca 0.11 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3imf h GLN 68 Cb 0.05 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.54 3imf h GLN 68 CO -0.02 0.19 0.00 1.63 -2.65 0.00 0.00 178.83 177.98 3imf n LYS 69 N -5.05 0.20 0.00 1.69 5.02 -0.57 -2.02 118.16 117.42 3imf n LYS 69 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3imf n LYS 69 Cb 0.21 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3imf n LYS 69 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3imf n ILE 71 N 0.61 0.00 -0.14 -0.18 5.41 -0.59 -1.25 119.36 123.22 3imf n ILE 71 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 3imf n ILE 71 Cb 0.07 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.03 3imf n ILE 71 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3imf h GLU 72 N 0.00 0.47 -0.66 0.38 5.08 -1.68 0.27 114.58 118.45 3imf h GLU 72 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3imf h GLU 72 Cb 0.00 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3imf h GLU 72 CO 0.00 0.31 0.37 0.37 -1.00 0.00 0.00 179.01 179.06 3imf h GLN 73 N 0.49 0.91 -0.19 2.33 4.15 -1.46 -0.67 115.11 120.67 3imf h GLN 73 Ca 0.18 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 3imf h GLN 73 Cb 0.04 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3imf h GLN 73 CO -0.10 0.68 -0.00 0.82 -1.93 0.00 0.00 178.83 178.30 3imf h ILE 74 N 0.90 1.25 -0.77 2.39 2.04 -1.74 -1.95 117.51 119.63 3imf h ILE 74 Ca 0.23 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3imf h ILE 74 Cb 0.03 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3imf h ILE 74 CO -0.04 0.26 0.50 -0.78 0.00 0.00 0.00 178.15 178.10 3imf h ASP 75 N 0.09 0.87 -0.63 1.72 3.58 -0.77 0.39 116.42 121.66 3imf h ASP 75 Ca 0.05 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 3imf h ASP 75 Cb 0.39 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 3imf h ASP 75 CO 0.01 0.62 0.18 -0.33 -2.88 0.00 0.00 179.24 176.84 3imf h GLU 76 N 1.02 1.02 0.16 0.28 5.08 -1.07 0.11 114.58 121.18 3imf h GLU 76 Ca 0.29 -0.22 -0.30 0.00 -1.00 0.00 0.00 59.36 58.12 3imf h GLU 76 Cb -0.10 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.01 3imf h GLU 76 CO -0.07 0.89 -1.50 -0.22 -1.00 0.00 0.00 179.01 177.11 3imf h LYS 77 N 0.98 0.33 0.00 2.33 3.64 -0.53 -3.41 116.57 119.91 3imf h LYS 77 Ca 0.21 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3imf h LYS 77 Cb 0.32 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3imf h LYS 77 CO -0.00 1.27 -1.27 1.19 -2.27 0.00 0.00 179.45 178.37 3imf n PHE 78 N -3.80 0.00 -0.95 1.91 3.72 0.13 -5.03 117.46 113.44 3imf n PHE 78 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3imf n PHE 78 Cb 0.98 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 3imf n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3imf n GLY 79 N 2.10 0.51 3.59 1.37 0.00 0.39 -4.96 105.19 108.19 3imf n GLY 79 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3imf n GLY 79 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3imf s ARG 80 N -0.43 1.25 -0.08 1.61 1.70 -1.26 -4.98 118.95 116.76 3imf s ARG 80 Ca 0.00 -0.57 -0.04 0.00 -0.47 0.00 0.00 55.73 54.66 3imf s ARG 80 Cb 0.00 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 34.93 3imf s ARG 80 CO 0.00 -0.56 0.18 0.42 -1.08 0.00 0.00 175.30 174.26 3imf s ILE 81 N -3.54 -0.16 -0.13 4.99 1.01 -1.26 -4.74 121.20 117.37 3imf s ILE 81 Ca 0.06 0.25 0.06 0.00 0.00 0.00 0.00 60.65 61.02 3imf s ILE 81 Cb -0.02 -0.30 -0.12 0.00 0.01 0.00 0.00 42.46 42.02 3imf s ILE 81 CO -0.05 0.10 -0.03 0.47 0.00 0.00 0.00 174.94 175.43 3imf n ASP 82 N 4.73 2.44 -3.87 3.58 9.92 0.08 -4.93 116.55 128.49 3imf n ASP 82 Ca -0.16 -0.03 -0.14 0.00 -0.53 0.00 0.00 54.79 53.92 3imf n ASP 82 Cb 0.51 0.34 -0.15 0.00 -0.64 0.00 0.00 41.12 41.19 3imf n ASP 82 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3imf s ILE 83 N -2.29 0.11 -0.13 0.53 1.01 -0.77 -2.38 121.20 117.27 3imf s ILE 83 Ca -0.12 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3imf s ILE 83 Cb 0.04 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.39 3imf s ILE 83 CO 0.42 0.06 -0.18 -0.22 0.00 0.00 0.00 174.94 175.02 3imf s LEU 84 N 0.25 1.87 -0.29 2.97 2.96 -0.53 -0.59 118.68 125.33 3imf s LEU 84 Ca -0.02 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 3imf s LEU 84 Cb -0.04 -1.25 0.04 0.00 0.50 0.00 0.00 46.19 45.44 3imf s LEU 84 CO -0.01 0.02 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.41 3imf s ILE 85 N 1.04 3.06 -0.63 6.68 1.01 0.61 -0.81 121.20 132.16 3imf s ILE 85 Ca -0.04 -1.22 -0.22 0.00 0.00 0.00 0.00 60.65 59.17 3imf s ILE 85 Cb -0.15 -2.68 0.07 0.00 0.01 0.00 0.00 42.46 39.71 3imf s ILE 85 CO -0.04 -0.01 0.93 0.20 0.00 0.00 0.00 174.94 176.02 3imf s ASN 86 N 1.30 6.20 -0.01 3.58 0.01 -0.24 -1.97 114.94 123.80 3imf s ASN 86 Ca -0.03 -0.94 0.01 0.00 -0.71 0.00 0.00 52.86 51.19 3imf s ASN 86 Cb -0.19 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 3imf s ASN 86 CO -0.02 -1.37 0.00 -3.20 -1.51 0.00 0.00 177.10 171.01 3imf n ASN 87 N 7.52 4.56 -4.55 -1.22 5.15 -1.24 -4.60 115.26 120.88 3imf n ASN 87 Ca -0.04 -0.00 -0.61 0.00 -0.60 0.00 0.00 54.58 53.33 3imf n ASN 87 Cb 0.45 0.45 -0.08 0.00 -0.53 0.00 0.00 39.78 40.07 3imf n ASN 87 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3imf n ALA 88 N -2.13 -3.11 -2.92 5.20 0.00 -0.99 -4.83 120.51 111.74 3imf n ALA 88 Ca -0.02 0.58 -0.10 0.00 0.00 0.00 0.00 53.44 53.90 3imf n ALA 88 Cb 0.54 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 3imf n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3imf s ALA 89 N 0.65 -0.01 -0.10 0.00 0.00 -1.26 -4.67 121.76 116.36 3imf s ALA 89 Ca 0.94 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 3imf s ALA 89 Cb -1.31 1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.89 3imf s ALA 89 CO 0.62 -0.76 0.27 0.20 0.00 0.00 0.00 175.76 176.09 3imf s GLY 90 N -3.02 -0.19 0.04 0.00 0.00 -1.26 -5.02 107.32 97.87 3imf s GLY 90 Ca 0.23 0.85 -0.27 0.00 0.00 0.00 0.00 44.72 45.53 3imf s GLY 90 CO 0.06 0.84 0.73 0.21 0.00 0.00 0.00 173.10 174.95 3imf s ASN 91 N 0.47 -0.51 -0.24 1.64 2.47 -1.26 -4.88 114.94 112.63 3imf s ASN 91 Ca -0.03 0.19 -0.37 0.00 0.42 0.00 0.00 52.86 53.07 3imf s ASN 91 Cb -0.04 0.50 0.15 0.00 -1.45 0.00 0.00 41.25 40.41 3imf s ASN 91 CO -0.02 -0.74 1.35 0.72 -3.72 0.00 0.00 177.10 174.68 3imf s PHE 92 N -2.81 -0.04 -0.05 0.43 -0.71 -1.26 -4.17 117.98 109.38 3imf s PHE 92 Ca -0.01 0.02 -0.12 0.00 -1.04 0.00 0.00 56.93 55.78 3imf s PHE 92 Cb -0.01 0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 3imf s PHE 92 CO -0.06 -0.07 0.31 0.42 -1.34 0.00 0.00 175.22 174.49 3imf s ILE 93 N -2.13 5.21 -0.28 -4.49 1.01 -1.04 -4.67 121.20 114.81 3imf s ILE 93 Ca 0.12 0.62 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 3imf s ILE 93 Cb 0.00 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.97 3imf s ILE 93 CO -0.03 0.58 0.80 0.00 0.00 0.00 0.00 174.94 176.29 3imf s PRO 95 N 1.35 3.80 0.36 0.00 0.02 -1.26 -4.48 135.00 134.80 3imf s PRO 95 Ca -0.08 2.49 0.07 0.00 0.02 0.00 0.00 61.00 63.50 3imf s PRO 95 Cb -0.05 -2.75 0.78 0.00 0.02 0.00 0.00 34.50 32.50 3imf s PRO 95 CO -0.16 -0.75 1.92 0.00 -0.33 0.00 0.00 177.00 177.68 3imf h ALA 96 N 2.52 1.77 0.00 -1.55 0.00 -1.98 0.19 119.26 120.21 3imf h ALA 96 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3imf h ALA 96 Cb 1.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3imf h ALA 96 CO 0.62 0.06 0.00 -0.85 0.00 0.00 0.00 179.25 179.08 3imf n GLU 97 N -4.51 0.14 0.00 0.00 0.00 -1.26 -3.17 120.64 111.84 3imf n GLU 97 Ca 0.14 0.24 0.09 0.00 0.00 0.00 0.00 57.16 57.63 3imf n GLU 97 Cb 0.34 -1.71 -0.07 0.00 0.00 0.00 0.00 31.44 30.00 3imf n GLU 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3imf n ASP 98 N -1.96 1.27 -4.72 -1.84 8.00 0.03 -4.98 116.55 112.35 3imf n ASP 98 Ca 0.04 -1.14 -0.42 0.00 0.71 0.00 0.00 54.79 53.99 3imf n ASP 98 Cb 0.30 0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 42.19 3imf n ASP 98 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3imf s LEU 99 N -2.71 4.39 0.59 0.64 2.96 -1.07 -4.96 118.68 118.51 3imf s LEU 99 Ca 0.11 2.35 -0.15 0.00 -0.22 0.00 0.00 54.13 56.21 3imf s LEU 99 Cb 0.15 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 3imf s LEU 99 CO 0.70 -0.60 1.05 -0.94 -1.32 0.00 0.00 176.35 175.23 3imf s SER 100 N 0.83 5.86 0.27 3.68 1.04 -1.26 -4.87 113.70 119.25 3imf s SER 100 Ca 0.62 1.76 -0.03 0.00 0.48 0.00 0.00 55.95 58.78 3imf s SER 100 Cb -0.36 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.62 3imf s SER 100 CO 0.33 -1.12 1.92 0.58 0.98 0.00 0.00 173.24 175.93 3imf h VAL 101 N 0.38 1.15 -0.61 5.02 2.07 -1.99 -0.18 116.25 122.08 3imf h VAL 101 Ca -0.46 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 3imf h VAL 101 Cb 1.21 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3imf h VAL 101 CO 0.58 0.22 0.22 -1.13 0.02 0.00 0.00 177.57 177.47 3imf h ASN 102 N 1.20 0.87 0.02 0.57 -1.24 -1.98 -0.27 115.58 114.75 3imf h ASN 102 Ca 0.39 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 3imf h ASN 102 Cb 0.03 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.85 3imf h ASN 102 CO -0.12 0.83 -0.01 1.23 -1.29 0.00 0.00 177.43 178.07 3imf h GLY 103 N 0.87 -0.02 0.78 1.57 0.00 -1.75 0.62 103.07 105.14 3imf h GLY 103 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3imf h GLY 103 CO -0.01 -0.01 -0.19 -0.25 0.00 0.00 0.00 176.54 176.08 3imf h TRP 104 N -0.14 -0.49 -0.82 5.60 2.91 -0.93 -2.81 115.95 119.28 3imf h TRP 104 Ca -0.00 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.09 3imf h TRP 104 Cb 0.13 0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 28.91 3imf h TRP 104 CO -0.04 -0.28 0.49 -0.91 -1.03 0.00 0.00 178.44 176.67 3imf h ASN 105 N -0.41 0.75 -0.74 2.65 2.35 -0.94 -1.50 115.58 117.74 3imf h ASN 105 Ca 0.00 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3imf h ASN 105 Cb 0.38 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3imf h ASN 105 CO -0.04 0.47 0.36 0.77 -1.65 0.00 0.00 177.43 177.34 3imf h SER 106 N 0.88 0.96 -0.14 5.81 4.64 -0.72 0.98 113.55 125.95 3imf h SER 106 Ca 0.37 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.48 3imf h SER 106 Cb 0.22 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3imf h SER 106 CO -0.19 0.82 -0.23 0.58 -0.87 0.00 0.00 176.83 176.94 3imf h VAL 107 N 1.03 1.36 -0.91 0.95 2.07 -1.21 -1.67 116.25 117.87 3imf h VAL 107 Ca 0.26 -1.47 0.06 0.00 0.82 0.00 0.00 66.70 66.37 3imf h VAL 107 Cb 0.10 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 3imf h VAL 107 CO -0.03 0.43 0.58 0.40 0.02 0.00 0.00 177.57 178.97 3imf h ILE 108 N 0.02 1.08 -0.29 4.57 1.08 -1.07 -1.87 117.51 121.03 3imf h ILE 108 Ca 0.01 -0.37 -0.18 0.00 -0.39 0.00 0.00 64.86 63.93 3imf h ILE 108 Cb 0.80 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 3imf h ILE 108 CO 0.05 0.20 -0.52 -1.13 -0.69 0.00 0.00 178.15 176.06 3imf h ASN 109 N 1.07 0.96 0.03 1.72 -1.24 -0.72 -1.51 115.58 115.90 3imf h ASN 109 Ca 0.39 -0.53 -0.00 0.00 0.71 0.00 0.00 56.30 56.87 3imf h ASN 109 Cb 0.13 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.90 3imf h ASN 109 CO -0.16 1.31 -0.02 0.40 -1.29 0.00 0.00 177.43 177.67 3imf h ILE 110 N 0.65 1.36 0.03 2.57 2.04 -1.21 0.85 117.51 123.80 3imf h ILE 110 Ca 0.02 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 3imf h ILE 110 Cb 1.13 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 3imf h ILE 110 CO 0.12 0.35 -0.02 0.58 0.00 0.00 0.00 178.15 179.18 3imf h VAL 111 N -0.67 1.11 0.00 1.67 2.07 -1.44 -3.19 116.25 115.80 3imf h VAL 111 Ca -0.00 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 3imf h VAL 111 Cb 0.60 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3imf h VAL 111 CO 0.01 0.36 -0.15 0.25 0.02 0.00 0.00 177.57 178.06 3imf h LEU 112 N -0.95 0.00 -0.30 2.57 5.85 -1.46 -3.15 115.31 117.87 3imf h LEU 112 Ca -0.00 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3imf h LEU 112 Cb 0.62 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3imf h LEU 112 CO 0.01 0.65 0.09 0.78 -0.34 0.00 0.00 178.44 179.63 3imf h ASN 113 N -1.00 0.44 -0.84 1.25 2.35 -1.32 -1.72 115.58 114.75 3imf h ASN 113 Ca -0.01 -0.21 0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3imf h ASN 113 Cb 0.27 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.46 3imf h ASN 113 CO -0.01 0.53 0.55 1.23 -1.65 0.00 0.00 177.43 178.08 3imf h GLY 114 N 0.33 1.18 1.27 2.83 0.00 -0.80 0.14 103.07 108.02 3imf h GLY 114 Ca 0.10 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3imf h GLY 114 CO -0.00 0.24 -0.44 -0.84 0.00 0.00 0.00 176.54 175.50 3imf h THR 115 N 0.88 1.29 -0.27 4.70 2.02 -1.43 -1.65 112.91 118.46 3imf h THR 115 Ca 0.37 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 3imf h THR 115 Cb 0.29 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 3imf h THR 115 CO -0.14 0.53 0.01 0.15 0.37 0.00 0.00 175.52 176.44 3imf h PHE 116 N 0.63 0.51 -0.43 3.16 3.57 -0.45 -1.04 116.94 122.89 3imf h PHE 116 Ca 0.04 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3imf h PHE 116 Cb 1.01 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 3imf h PHE 116 CO 0.06 0.61 0.29 1.88 -2.23 0.00 0.00 178.31 178.91 3imf h TYR 117 N 0.25 0.55 -0.43 0.41 0.05 -0.64 0.46 116.97 117.61 3imf h TYR 117 Ca 0.08 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 3imf h TYR 117 Cb 0.41 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3imf h TYR 117 CO 0.03 0.35 -0.06 0.00 -1.05 0.00 0.00 178.16 177.43 3imf h SER 119 N 0.64 0.74 -0.48 0.00 0.02 -0.98 -1.58 113.55 111.91 3imf h SER 119 Ca 0.12 -0.30 -0.12 0.00 -0.84 0.00 0.00 61.79 60.64 3imf h SER 119 Cb 0.58 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3imf h SER 119 CO 0.03 0.86 -0.18 -0.61 -1.14 0.00 0.00 176.83 175.79 3imf h GLN 120 N 0.60 0.99 -0.43 3.45 4.15 -0.91 -0.03 115.11 122.93 3imf h GLN 120 Ca 0.13 -0.40 -0.09 0.00 0.77 0.00 0.00 58.65 59.05 3imf h GLN 120 Cb 0.47 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3imf h GLN 120 CO 0.02 1.07 -0.10 0.00 -1.93 0.00 0.00 178.83 177.89 3imf h ALA 121 N 0.92 0.59 -0.35 3.38 0.00 -1.31 -1.56 119.26 120.93 3imf h ALA 121 Ca 0.12 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 3imf h ALA 121 Cb 0.75 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3imf h ALA 121 CO 0.06 0.47 -0.44 0.82 0.00 0.00 0.00 179.25 180.16 3imf h ILE 122 N 0.64 1.27 -0.45 0.00 1.08 -1.27 -2.08 117.51 116.71 3imf h ILE 122 Ca 0.11 -1.62 0.01 0.00 -0.39 0.00 0.00 64.86 62.97 3imf h ILE 122 Cb 0.63 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 3imf h ILE 122 CO 0.04 0.54 0.28 1.23 -0.69 0.00 0.00 178.15 179.54 3imf h GLY 123 N 0.76 0.63 1.37 5.37 0.00 -0.92 -0.49 103.07 109.79 3imf h GLY 123 Ca 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3imf h GLY 123 CO 0.10 0.19 0.10 0.50 0.00 0.00 0.00 176.54 177.44 3imf h LYS 124 N 0.56 0.79 -0.59 4.80 1.57 -1.21 0.21 116.57 122.70 3imf h LYS 124 Ca 0.17 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3imf h LYS 124 Cb -0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3imf h LYS 124 CO -0.06 0.73 0.26 -0.92 -0.57 0.00 0.00 179.45 178.88 3imf h TYR 125 N 0.76 0.87 -0.45 -1.35 3.20 -0.80 -1.31 116.97 117.89 3imf h TYR 125 Ca 0.16 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3imf h TYR 125 Cb 0.31 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3imf h TYR 125 CO 0.02 0.69 0.04 -1.49 -1.64 0.00 0.00 178.16 175.77 3imf h TRP 126 N 0.81 0.83 -0.46 -3.82 6.55 -0.40 -2.50 115.95 116.97 3imf h TRP 126 Ca 0.20 -0.13 0.03 0.00 0.95 0.00 0.00 58.89 59.94 3imf h TRP 126 Cb 0.16 -0.22 -0.04 0.00 -0.86 0.00 0.00 29.16 28.21 3imf h TRP 126 CO 0.00 0.80 0.25 0.82 -1.05 0.00 0.00 178.44 179.26 3imf h ILE 127 N 0.63 1.00 -0.13 1.49 2.04 -0.47 0.16 117.51 122.23 3imf h ILE 127 Ca 0.13 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 3imf h ILE 127 Cb 0.44 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3imf h ILE 127 CO 0.02 0.09 -0.32 1.05 0.00 0.00 0.00 178.15 178.98 3imf h GLU 128 N 0.50 0.25 -0.02 2.37 4.11 -1.09 -3.06 114.58 117.64 3imf h GLU 128 Ca 0.19 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.52 3imf h GLU 128 Cb 0.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3imf h GLU 128 CO -0.11 0.55 -0.14 1.63 0.07 0.00 0.00 179.01 181.01 3imf n LYS 129 N -4.10 1.64 -2.57 1.06 5.02 -0.96 -4.98 118.16 113.27 3imf n LYS 129 Ca -0.01 -1.19 -0.15 0.00 -2.02 0.00 0.00 58.31 54.95 3imf n LYS 129 Cb 0.42 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.96 3imf n LYS 129 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3imf n GLY 130 N 1.31 -0.15 3.77 0.72 0.00 0.44 -5.01 105.19 106.27 3imf n GLY 130 Ca 0.14 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3imf n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imf s ILE 131 N -2.86 5.16 -1.18 -0.61 1.01 -0.60 -5.01 121.20 117.11 3imf s ILE 131 Ca 0.12 0.80 -0.13 0.00 0.00 0.00 0.00 60.65 61.44 3imf s ILE 131 Cb -0.05 -3.72 0.20 0.00 0.01 0.00 0.00 42.46 38.89 3imf s ILE 131 CO 0.15 0.45 1.35 -0.54 0.00 0.00 0.00 174.94 176.35 3imf s LYS 132 N -0.15 4.11 1.00 2.79 -0.14 -1.26 -4.66 119.74 121.43 3imf s LYS 132 Ca 0.23 -2.72 -0.14 0.00 -1.36 0.00 0.00 55.97 51.97 3imf s LYS 132 Cb -0.15 -4.94 0.19 0.00 -1.68 0.00 0.00 37.83 31.25 3imf s LYS 132 CO 0.10 -1.64 1.15 0.20 -0.76 0.00 0.00 175.35 174.40 3imf s GLY 133 N 2.48 1.60 -0.04 -3.33 0.00 -1.26 -4.85 107.32 101.92 3imf s GLY 133 Ca 0.39 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.46 3imf s GLY 133 CO -0.02 -0.01 -0.09 -1.31 0.00 0.00 0.00 173.10 171.67 3imf s ASN 134 N -4.00 1.32 -0.05 1.64 -0.87 -1.00 -1.89 114.94 110.09 3imf s ASN 134 Ca 0.67 -0.21 0.06 0.00 -1.57 0.00 0.00 52.86 51.81 3imf s ASN 134 Cb -0.13 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.25 40.59 3imf s ASN 134 CO 0.55 0.03 -0.24 -0.63 -2.57 0.00 0.00 177.10 174.24 3imf s ILE 135 N 0.49 1.95 -0.15 0.60 1.01 0.27 -1.45 121.20 123.93 3imf s ILE 135 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.56 3imf s ILE 135 Cb -0.12 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.72 3imf s ILE 135 CO 0.01 0.54 -0.12 -0.63 0.00 0.00 0.00 174.94 174.75 3imf s ILE 136 N -0.14 1.45 0.00 2.92 1.01 0.01 -1.43 121.20 125.02 3imf s ILE 136 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3imf s ILE 136 Cb -0.13 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3imf s ILE 136 CO 0.03 0.40 0.00 0.59 0.00 0.00 0.00 174.94 175.96 3imf n ASN 137 N 4.80 0.00 0.00 3.58 3.02 0.36 -1.08 115.26 125.95 3imf n ASN 137 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3imf n ASN 137 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 3imf n ASN 137 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3imf n VAL 139 N 0.00 0.00 -3.85 2.41 0.24 0.72 -1.00 118.33 116.86 3imf n VAL 139 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 3imf n VAL 139 Cb 0.00 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 3imf n VAL 139 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3imf s ALA 140 N -1.00 -0.30 0.25 2.33 0.00 -1.26 -4.18 121.76 117.60 3imf s ALA 140 Ca 0.00 -0.45 0.34 0.00 0.00 0.00 0.00 51.96 51.85 3imf s ALA 140 Cb 0.00 0.39 1.54 0.00 0.00 0.00 0.00 23.12 25.04 3imf s ALA 140 CO 0.00 -0.44 2.05 1.79 0.00 0.00 0.00 175.76 179.16 3imf h THR 141 N 3.09 0.12 0.00 0.00 1.35 -1.86 -1.22 112.91 114.39 3imf h THR 141 Ca -0.33 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3imf h THR 141 Cb 1.20 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3imf h THR 141 CO 0.52 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.83 3imf n TYR 142 N -3.18 0.00 0.30 4.73 0.18 -1.26 -3.52 117.16 114.41 3imf n TYR 142 Ca -0.00 0.00 0.17 0.00 1.88 0.00 0.00 57.90 59.95 3imf n TYR 142 Cb 0.27 -0.15 0.77 0.00 -0.38 0.00 0.00 39.34 39.85 3imf n TYR 142 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3imf h ALA 143 N 3.40 1.00 0.00 -3.48 0.00 -1.49 -3.04 119.26 115.65 3imf h ALA 143 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3imf h ALA 143 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3imf h ALA 143 CO 0.00 0.00 -0.18 -2.67 0.00 0.00 0.00 179.25 176.40 3imf n TRP 144 N -2.90 0.00 -1.46 0.00 2.14 -1.23 -4.19 117.44 109.81 3imf n TRP 144 Ca -0.00 -1.02 0.00 0.00 2.07 0.00 0.00 57.50 58.55 3imf n TRP 144 Cb 0.22 -0.16 0.00 0.00 -0.81 0.00 0.00 31.31 30.56 3imf n TRP 144 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 3imf n ASP 145 N -1.20 0.17 -4.88 -0.67 -0.08 -1.15 -5.15 116.55 103.60 3imf n ASP 145 Ca 0.15 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.09 3imf n ASP 145 Cb 0.67 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.08 3imf n ASP 145 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3imf s ALA 146 N -1.59 3.82 -0.55 -1.67 0.00 -1.26 -4.97 121.76 115.54 3imf s ALA 146 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.50 3imf s ALA 146 Cb 0.00 -2.12 0.28 0.00 0.00 0.00 0.00 23.12 21.29 3imf s ALA 146 CO 0.00 0.63 0.76 0.41 0.00 0.00 0.00 175.76 177.56 3imf n GLY 147 N 1.05 4.56 3.72 0.00 0.00 -1.26 -4.77 105.19 108.49 3imf n GLY 147 Ca -0.10 -2.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.04 3imf n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3imf n PRO 148 N 0.60 2.74 0.00 1.61 -0.04 -1.26 -0.87 135.00 137.78 3imf n PRO 148 Ca 0.28 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.73 3imf n PRO 148 Cb 0.45 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 3imf n PRO 148 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3imf n GLY 149 N 3.54 2.74 2.51 0.55 0.00 -1.26 -4.84 105.19 108.42 3imf n GLY 149 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 3imf n GLY 149 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3imf n VAL 150 N -2.00 1.79 -0.25 1.61 0.24 -0.05 -0.72 118.33 118.95 3imf n VAL 150 Ca 0.00 -3.83 0.03 0.00 -2.04 0.00 0.00 64.34 58.50 3imf n VAL 150 Cb 0.00 -0.16 0.26 0.00 -1.47 0.00 0.00 33.84 32.48 3imf n VAL 150 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 3imf h ILE 151 N 3.24 1.10 -0.02 1.34 2.10 -1.81 0.83 117.51 124.29 3imf h ILE 151 Ca 0.11 -0.33 0.02 0.00 1.08 0.00 0.00 64.86 65.74 3imf h ILE 151 Cb 1.20 0.04 -0.02 0.00 -1.09 0.00 0.00 36.82 36.95 3imf h ILE 151 CO 0.59 0.18 -0.09 1.12 -1.08 0.00 0.00 178.15 178.87 3imf h HIS 152 N 0.97 -0.22 -0.50 2.19 2.07 -1.91 -0.42 115.15 117.33 3imf h HIS 152 Ca 0.34 0.01 -0.12 0.00 -2.85 0.00 0.00 60.37 57.75 3imf h HIS 152 Cb 0.11 0.10 -0.02 0.00 2.57 0.00 0.00 27.41 30.18 3imf h HIS 152 CO -0.00 -0.13 -0.16 1.03 -3.07 0.00 0.00 177.93 175.59 3imf h SER 153 N -0.14 1.00 -0.23 3.10 0.87 -1.56 -1.51 113.55 115.07 3imf h SER 153 Ca 0.04 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.26 3imf h SER 153 Cb 0.19 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3imf h SER 153 CO -0.10 1.14 0.14 0.00 -0.53 0.00 0.00 176.83 177.47 3imf h ALA 154 N 0.94 0.29 -0.21 6.23 0.00 -0.72 0.53 119.26 126.31 3imf h ALA 154 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3imf h ALA 154 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3imf h ALA 154 CO 0.06 -0.26 0.10 0.00 0.00 0.00 0.00 179.25 179.14 3imf h ALA 155 N 1.10 0.27 -0.16 0.00 0.00 -0.98 -0.85 119.26 118.64 3imf h ALA 155 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3imf h ALA 155 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3imf h ALA 155 CO -0.04 -0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.14 3imf h ALA 156 N 0.95 0.20 -0.15 0.00 0.00 -1.07 -1.40 119.26 117.80 3imf h ALA 156 Ca 0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3imf h ALA 156 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3imf h ALA 156 CO -0.01 -0.28 -0.30 0.87 0.00 0.00 0.00 179.25 179.53 3imf h LYS 157 N 0.17 0.28 -0.64 0.00 1.57 -0.88 -0.37 116.57 116.68 3imf h LYS 157 Ca 0.06 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3imf h LYS 157 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3imf h LYS 157 CO -0.01 0.56 0.14 0.00 -0.57 0.00 0.00 179.45 179.57 3imf h ALA 158 N 1.44 0.85 -0.71 3.86 0.00 -0.98 -0.00 119.26 123.72 3imf h ALA 158 Ca 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3imf h ALA 158 Cb 0.67 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3imf h ALA 158 CO 0.05 0.58 0.34 0.78 0.00 0.00 0.00 179.25 181.01 3imf h GLY 159 N 0.96 1.08 1.04 0.00 0.00 -0.61 -1.72 103.07 103.83 3imf h GLY 159 Ca 0.20 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 3imf h GLY 159 CO 0.01 0.51 0.26 -2.08 0.00 0.00 0.00 176.54 175.23 3imf h VAL 160 N 0.98 1.26 -0.48 4.60 2.07 -0.60 -2.84 116.25 121.24 3imf h VAL 160 Ca 0.24 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3imf h VAL 160 Cb 0.11 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3imf h VAL 160 CO -0.03 0.34 0.31 0.25 0.02 0.00 0.00 177.57 178.45 3imf h LEU 161 N 1.06 0.56 -1.75 2.57 5.85 -0.76 -0.18 115.31 122.67 3imf h LEU 161 Ca 0.24 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3imf h LEU 161 Cb 0.26 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3imf h LEU 161 CO -0.01 0.42 0.00 0.00 -0.34 0.00 0.00 178.44 178.51 3imf n ALA 162 N -2.24 1.43 0.00 1.25 0.00 -0.67 -1.89 120.51 118.40 3imf n ALA 162 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3imf n ALA 162 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3imf n ALA 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3imf n THR 164 N 0.85 0.00 -0.07 0.00 -1.04 -0.08 -1.25 114.28 112.69 3imf n THR 164 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 3imf n THR 164 Cb 0.02 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.65 3imf n THR 164 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3imf h LYS 165 N 0.00 0.71 -0.24 -2.82 1.57 -1.65 -1.23 116.57 112.92 3imf h LYS 165 Ca 0.00 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.45 3imf h LYS 165 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3imf h LYS 165 CO 0.00 0.86 -0.10 1.15 -0.57 0.00 0.00 179.45 180.79 3imf h THR 166 N 0.63 1.30 -0.22 -0.16 2.02 -1.44 -2.63 112.91 112.40 3imf h THR 166 Ca 0.09 -1.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.02 3imf h THR 166 Cb 0.68 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3imf h THR 166 CO 0.05 0.36 -0.26 -0.07 0.37 0.00 0.00 175.52 175.97 3imf h LEU 167 N 0.21 0.42 -1.06 2.58 3.38 -1.80 -0.98 115.31 118.06 3imf h LEU 167 Ca 0.05 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3imf h LEU 167 Cb 0.59 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3imf h LEU 167 CO 0.03 0.68 0.64 0.00 0.09 0.00 0.00 178.44 179.88 3imf h ALA 168 N 1.35 1.36 0.18 1.53 0.00 -1.06 0.54 119.26 123.16 3imf h ALA 168 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3imf h ALA 168 Cb 0.66 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3imf h ALA 168 CO 0.05 0.55 -0.09 0.28 0.00 0.00 0.00 179.25 180.04 3imf h VAL 169 N 1.24 0.71 0.27 0.00 2.07 -1.17 -2.24 116.25 117.11 3imf h VAL 169 Ca 0.38 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3imf h VAL 169 Cb -0.02 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3imf h VAL 169 CO -0.11 0.19 -0.13 -0.33 0.02 0.00 0.00 177.57 177.21 3imf h GLU 170 N -0.91 -0.34 0.02 1.57 5.08 -1.07 -2.25 114.58 116.66 3imf h GLU 170 Ca -0.03 0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3imf h GLU 170 Cb 0.50 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3imf h GLU 170 CO 0.04 -0.13 -1.17 -1.49 -1.00 0.00 0.00 179.01 175.25 3imf h TRP 171 N -0.50 0.07 -0.33 4.33 6.55 -1.08 -1.91 115.95 123.08 3imf h TRP 171 Ca -0.04 -0.05 0.01 0.00 0.95 0.00 0.00 58.89 59.77 3imf h TRP 171 Cb 0.37 -0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.65 3imf h TRP 171 CO -0.02 1.05 0.19 0.78 -1.05 0.00 0.00 178.44 179.39 3imf h GLY 172 N 2.90 0.45 0.64 1.49 0.00 -1.02 0.16 103.07 107.69 3imf h GLY 172 Ca -0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 3imf h GLY 172 CO 0.13 0.13 -0.21 -0.09 0.00 0.00 0.00 176.54 176.50 3imf h ARG 173 N 0.39 0.27 0.06 4.80 2.43 -1.44 -1.98 114.38 118.92 3imf h ARG 173 Ca 0.13 -0.19 -0.24 0.00 -0.81 0.00 0.00 59.98 58.86 3imf h ARG 173 Cb -0.00 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3imf h ARG 173 CO -0.06 0.81 -1.11 -0.22 -1.51 0.00 0.00 179.97 177.88 3imf h LYS 174 N -0.21 0.15 0.00 0.20 3.64 -1.34 -3.39 116.57 115.61 3imf h LYS 174 Ca -0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3imf h LYS 174 Cb 0.82 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3imf h LYS 174 CO 0.04 1.10 0.00 0.66 -2.27 0.00 0.00 179.45 178.99 3imf n TYR 175 N -3.46 0.00 -1.51 1.91 4.02 -0.10 -5.02 117.16 113.01 3imf n TYR 175 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.74 3imf n TYR 175 Cb 0.97 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.25 3imf n TYR 175 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3imf n GLY 176 N 0.14 0.91 3.69 2.72 0.00 -0.38 -4.68 105.19 107.60 3imf n GLY 176 Ca 0.00 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3imf n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imf s ILE 177 N -2.42 4.99 -0.02 -0.61 1.01 -0.96 -4.55 121.20 118.63 3imf s ILE 177 Ca 0.00 1.49 -0.12 0.00 0.00 0.00 0.00 60.65 62.02 3imf s ILE 177 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 3imf s ILE 177 CO 0.00 0.16 0.34 -0.13 0.00 0.00 0.00 174.94 175.31 3imf s ARG 178 N 1.37 3.79 -0.05 2.79 0.52 -0.79 -2.38 118.95 124.20 3imf s ARG 178 Ca 0.37 0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.84 3imf s ARG 178 Cb -0.17 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 32.13 3imf s ARG 178 CO 0.16 0.70 0.00 0.08 0.02 0.00 0.00 175.30 176.26 3imf s VAL 179 N -1.09 0.25 0.27 3.52 1.01 -1.26 -0.56 120.40 122.54 3imf s VAL 179 Ca 0.22 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3imf s VAL 179 Cb -0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3imf s VAL 179 CO 0.12 0.20 0.26 0.20 0.00 0.00 0.00 175.10 175.88 3imf s ASN 180 N 1.54 0.79 0.07 3.32 0.01 -0.52 -0.07 114.94 120.08 3imf s ASN 180 Ca -0.02 -1.50 0.02 0.00 -0.71 0.00 0.00 52.86 50.65 3imf s ASN 180 Cb -0.13 0.50 -0.03 0.00 0.41 0.00 0.00 41.25 42.00 3imf s ASN 180 CO -0.03 -1.00 -0.08 0.00 -1.51 0.00 0.00 177.10 174.48 3imf s ALA 181 N -3.75 0.82 -0.08 0.60 0.00 -0.05 -0.48 121.76 118.81 3imf s ALA 181 Ca 0.37 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.34 3imf s ALA 181 Cb 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3imf s ALA 181 CO 0.19 -0.09 -0.24 0.42 0.00 0.00 0.00 175.76 176.03 3imf s ILE 182 N -2.30 2.06 -0.52 0.00 1.01 -0.17 -4.17 121.20 117.10 3imf s ILE 182 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 3imf s ILE 182 Cb -0.04 -1.76 0.14 0.00 0.01 0.00 0.00 42.46 40.81 3imf s ILE 182 CO -0.01 0.56 0.32 0.00 0.00 0.00 0.00 174.94 175.81 3imf s ALA 183 N 0.15 3.37 0.52 9.38 0.00 -1.26 -0.20 121.76 133.73 3imf s ALA 183 Ca -0.13 -2.91 -0.17 0.00 0.00 0.00 0.00 51.96 48.75 3imf s ALA 183 Cb -0.16 -2.54 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 3imf s ALA 183 CO 0.07 -1.96 1.00 -1.25 0.00 0.00 0.00 175.76 173.63 3imf s PRO 184 N 0.52 3.82 0.00 0.00 0.05 -1.26 -4.39 135.00 133.75 3imf s PRO 184 Ca 0.13 1.05 0.00 0.00 0.05 0.00 0.00 61.00 62.22 3imf s PRO 184 Cb -0.22 -2.11 0.00 0.00 0.05 0.00 0.00 34.50 32.22 3imf s PRO 184 CO -0.04 -0.38 0.00 0.41 0.05 0.00 0.00 177.00 177.04 3imf n GLY 185 N -1.29 1.60 3.69 0.56 0.00 -1.26 -4.33 105.19 104.16 3imf n GLY 185 Ca 0.07 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3imf n GLY 185 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3imf s PRO 186 N 2.80 4.34 -0.10 1.61 0.04 -1.26 -4.92 135.00 137.50 3imf s PRO 186 Ca 0.00 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.79 3imf s PRO 186 Cb 0.00 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.99 3imf s PRO 186 CO 0.00 -0.47 -0.21 0.42 0.04 0.00 0.00 177.00 176.78 3imf s ILE 187 N 2.24 1.87 0.69 0.56 -1.09 -1.26 -0.41 121.20 123.79 3imf s ILE 187 Ca 0.57 -0.89 -0.16 0.00 -2.23 0.00 0.00 60.65 57.94 3imf s ILE 187 Cb -0.26 -1.64 0.01 0.00 -1.58 0.00 0.00 42.46 39.00 3imf s ILE 187 CO 0.23 0.52 1.20 -1.83 -1.23 0.00 0.00 174.94 173.83 3imf s GLU 188 N 0.56 2.43 -1.19 2.79 -1.05 -0.62 -3.44 118.70 118.16 3imf s GLU 188 Ca -0.15 1.76 -0.05 0.00 -0.15 0.00 0.00 54.97 56.39 3imf s GLU 188 Cb -0.17 -1.87 0.01 0.00 -0.44 0.00 0.00 34.13 31.66 3imf s GLU 188 CO 0.05 -1.62 0.61 0.54 0.95 0.00 0.00 175.26 175.79 3imf n ARG 189 N -2.37 -4.58 -0.74 -4.83 1.74 -1.26 -4.38 116.66 100.24 3imf n ARG 189 Ca 0.13 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 3imf n ARG 189 Cb 0.50 -5.19 -0.00 0.00 -1.02 0.00 0.00 32.46 26.75 3imf n ARG 189 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3imf n THR 190 N -4.32 0.00 -1.67 0.55 -2.24 -1.22 -4.37 114.28 101.01 3imf n THR 190 Ca -0.06 -0.20 -0.46 0.00 -2.27 0.00 0.00 64.05 61.06 3imf n THR 190 Cb 0.58 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 3imf n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3imf n GLY 191 N 0.10 0.94 0.00 3.38 0.00 -1.26 -5.01 105.19 103.34 3imf n GLY 191 Ca -0.01 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3imf n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imf n GLY 192 N 2.82 1.04 0.11 -0.02 0.00 -1.26 -5.07 105.19 102.81 3imf n GLY 192 Ca 0.15 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 3imf n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imf n ALA 193 N -3.00 1.82 -0.74 4.61 0.00 -1.26 -5.11 120.51 116.83 3imf n ALA 193 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3imf n ALA 193 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3imf n ALA 193 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3imf n ASP 194 N -2.88 0.00 -0.61 0.00 9.92 -1.26 -4.94 116.55 116.78 3imf n ASP 194 Ca -0.19 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.14 3imf n ASP 194 Cb 0.70 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 41.26 3imf n ASP 194 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3imf n GLU 200 N 13.48 1.27 0.00 -1.24 1.02 -1.26 -2.49 120.64 131.43 3imf n GLU 200 Ca 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.66 3imf n GLU 200 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3imf n GLU 200 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3imf n GLU 201 N 0.81 0.00 0.00 3.49 -0.58 -1.26 -1.82 120.64 121.28 3imf n GLU 201 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3imf n GLU 201 Cb 0.38 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 3imf n GLU 201 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3imf n ALA 203 N -0.56 0.00 0.23 0.62 0.00 -1.26 -3.11 120.51 116.44 3imf n ALA 203 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3imf n ALA 203 Cb 0.02 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.12 3imf n ALA 203 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3imf h LYS 204 N 0.00 0.00 -0.49 0.00 1.57 -1.81 -0.76 116.57 115.08 3imf h LYS 204 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3imf h LYS 204 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3imf h LYS 204 CO 0.00 0.00 0.11 -0.09 -0.57 0.00 0.00 179.45 178.90 3imf h ARG 205 N 0.00 0.75 -0.15 3.15 2.43 -1.75 -1.34 114.38 117.47 3imf h ARG 205 Ca 0.03 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 58.90 3imf h ARG 205 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3imf h ARG 205 CO -0.00 0.69 -0.54 1.79 -1.51 0.00 0.00 179.97 180.40 3imf h THR 206 N 0.72 1.34 -0.57 0.20 1.35 -1.44 -0.76 112.91 113.75 3imf h THR 206 Ca 0.16 -1.80 -0.06 0.00 -0.55 0.00 0.00 66.41 64.16 3imf h THR 206 Cb 0.28 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 3imf h THR 206 CO -0.00 0.55 0.11 0.40 -0.25 0.00 0.00 175.52 176.33 3imf h ILE 207 N 0.34 1.24 -0.19 6.82 2.04 -1.13 -0.53 117.51 126.10 3imf h ILE 207 Ca 0.01 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3imf h ILE 207 Cb 1.05 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3imf h ILE 207 CO 0.09 0.33 0.06 1.56 0.00 0.00 0.00 178.15 180.19 3imf h GLN 208 N 0.85 0.26 0.00 2.37 1.08 -0.83 -2.10 115.11 116.74 3imf h GLN 208 Ca 0.18 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 3imf h GLN 208 Cb 0.35 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3imf h GLN 208 CO 0.00 0.24 -0.06 0.66 -0.95 0.00 0.00 178.83 178.73 3imf h SER 209 N 0.26 0.00 -3.53 1.46 4.64 0.40 -3.41 113.55 113.38 3imf h SER 209 Ca 0.07 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.77 3imf h SER 209 Cb 0.09 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.06 3imf h SER 209 CO -0.00 0.06 0.19 -0.69 -0.87 0.00 0.00 176.83 175.51 3imf s VAL 210 N -3.79 4.90 0.27 0.95 1.01 -0.79 -4.55 120.40 118.40 3imf s VAL 210 Ca -0.00 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3imf s VAL 210 Cb 0.10 -4.04 0.27 0.00 0.00 0.00 0.00 36.38 32.71 3imf s VAL 210 CO 0.55 -0.20 1.69 -0.65 0.00 0.00 0.00 175.10 176.48 3imf h PRO 211 N 8.25 0.33 0.00 2.72 0.11 -1.80 0.45 132.00 142.05 3imf h PRO 211 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3imf h PRO 211 Cb 1.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3imf h PRO 211 CO 0.82 0.22 0.00 1.28 -0.21 0.00 0.00 178.00 180.11 3imf n LEU 212 N -5.10 0.00 -1.52 2.35 4.77 -1.19 -4.89 117.00 111.41 3imf n LEU 212 Ca 0.19 0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 3imf n LEU 212 Cb 0.58 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3imf n LEU 212 CO 0.12 -0.16 -0.17 0.61 -1.33 0.00 0.00 177.39 176.46 3imf n GLY 213 N -0.07 -0.03 3.79 -0.72 0.00 0.16 -4.99 105.19 103.32 3imf n GLY 213 Ca 0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 3imf n GLY 213 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3imf s ARG 214 N -4.53 1.69 0.44 1.61 1.70 -1.26 -4.94 118.95 113.65 3imf s ARG 214 Ca 0.00 -0.90 -0.11 0.00 -0.47 0.00 0.00 55.73 54.25 3imf s ARG 214 Cb 0.00 0.60 -0.06 0.00 -0.57 0.00 0.00 34.95 34.92 3imf s ARG 214 CO 0.00 -0.77 0.82 -0.51 -1.08 0.00 0.00 175.30 173.76 3imf s LEU 215 N -2.89 3.76 0.96 -1.89 1.43 -1.26 -4.92 118.68 113.87 3imf s LEU 215 Ca 0.09 1.22 -0.16 0.00 -1.03 0.00 0.00 54.13 54.25 3imf s LEU 215 Cb -0.05 -4.12 0.20 0.00 0.03 0.00 0.00 46.19 42.25 3imf s LEU 215 CO 0.04 -0.46 1.30 -0.83 0.23 0.00 0.00 176.35 176.63 3imf s GLY 216 N -3.23 1.76 0.19 -3.19 0.00 0.45 -4.81 107.32 98.49 3imf s GLY 216 Ca 0.53 -1.14 0.09 0.00 0.00 0.00 0.00 44.72 44.19 3imf s GLY 216 CO 0.33 -0.39 -0.17 -0.51 0.00 0.00 0.00 173.10 172.35 3imf s THR 217 N -3.82 1.89 0.44 0.90 -4.23 -1.26 -1.60 115.64 107.96 3imf s THR 217 Ca 0.73 -2.07 0.26 0.00 -1.18 0.00 0.00 61.69 59.43 3imf s THR 217 Cb -0.05 -1.97 0.29 0.00 1.34 0.00 0.00 72.50 72.11 3imf s THR 217 CO 0.53 -0.40 2.08 -0.65 -0.54 0.00 0.00 174.62 175.64 3imf h PRO 218 N 2.92 0.00 -0.22 3.99 0.11 -1.94 -2.33 132.00 134.54 3imf h PRO 218 Ca -0.41 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 3imf h PRO 218 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3imf h PRO 218 CO 0.55 0.11 -0.52 0.93 -0.21 0.00 0.00 178.00 178.87 3imf h GLU 219 N 0.00 0.61 -0.39 1.05 3.07 -1.96 -0.28 114.58 116.68 3imf h GLU 219 Ca -0.00 -0.37 -0.05 0.00 -0.50 0.00 0.00 59.36 58.44 3imf h GLU 219 Cb 0.30 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3imf h GLU 219 CO 0.01 0.98 0.04 0.93 -1.40 0.00 0.00 179.01 179.58 3imf h GLU 220 N 0.48 0.66 -0.72 2.33 5.08 -1.89 -0.85 114.58 119.66 3imf h GLU 220 Ca 0.02 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3imf h GLU 220 Cb 1.06 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 3imf h GLU 220 CO 0.10 0.72 0.47 0.82 -1.00 0.00 0.00 179.01 180.12 3imf h ILE 221 N 0.50 1.14 -0.79 3.13 1.08 -1.29 -2.10 117.51 119.17 3imf h ILE 221 Ca 0.12 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.24 3imf h ILE 221 Cb 0.40 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 3imf h ILE 221 CO 0.01 0.17 0.39 0.00 -0.69 0.00 0.00 178.15 178.03 3imf h ALA 222 N 1.29 1.20 -0.18 1.87 0.00 -0.76 -1.99 119.26 120.70 3imf h ALA 222 Ca 0.28 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3imf h ALA 222 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3imf h ALA 222 CO -0.09 0.62 -0.15 0.78 0.00 0.00 0.00 179.25 180.41 3imf h GLY 223 N 1.15 0.31 0.80 0.00 0.00 -0.63 0.64 103.07 105.33 3imf h GLY 223 Ca 0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 3imf h GLY 223 CO -0.04 0.18 -0.20 -2.00 0.00 0.00 0.00 176.54 174.49 3imf h LEU 224 N 0.27 0.47 -0.80 3.11 5.85 -0.82 -1.04 115.31 122.35 3imf h LEU 224 Ca 0.05 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 3imf h LEU 224 Cb 0.42 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3imf h LEU 224 CO 0.03 0.87 0.25 0.00 -0.34 0.00 0.00 178.44 179.25 3imf h ALA 225 N 0.62 1.03 -0.28 1.25 0.00 -1.15 0.73 119.26 121.45 3imf h ALA 225 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3imf h ALA 225 Cb 0.75 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3imf h ALA 225 CO 0.05 0.66 0.05 -0.92 0.00 0.00 0.00 179.25 179.09 3imf h TYR 226 N 1.11 0.49 -0.39 0.00 3.20 -0.85 -2.13 116.97 118.39 3imf h TYR 226 Ca 0.24 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3imf h TYR 226 Cb 0.28 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3imf h TYR 226 CO 0.02 0.55 0.22 -0.92 -1.64 0.00 0.00 178.16 176.40 3imf h TYR 227 N 0.28 0.42 -0.12 -3.82 3.20 -0.84 -2.21 116.97 113.87 3imf h TYR 227 Ca 0.09 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3imf h TYR 227 Cb 0.32 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 3imf h TYR 227 CO 0.02 0.24 0.13 -0.07 -1.64 0.00 0.00 178.16 176.84 3imf h LEU 228 N 0.45 0.00 -1.13 2.82 3.38 -0.62 -0.97 115.31 119.25 3imf h LEU 228 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3imf h LEU 228 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3imf h LEU 228 CO -0.08 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.35 3imf s SER 230 N -2.15 5.87 0.44 0.00 1.04 -0.37 -4.95 113.70 113.58 3imf s SER 230 Ca 0.31 1.38 0.11 0.00 0.48 0.00 0.00 55.95 58.22 3imf s SER 230 Cb 0.20 -2.33 0.96 0.00 0.10 0.00 0.00 66.02 64.94 3imf s SER 230 CO 0.39 -1.10 2.04 0.44 0.98 0.00 0.00 173.24 175.98 3imf h ASP 231 N -0.48 0.24 0.01 7.02 3.32 -1.93 -1.99 116.42 122.60 3imf h ASP 231 Ca -0.44 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3imf h ASP 231 Cb 1.21 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3imf h ASP 231 CO 0.62 0.25 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.05 3imf h GLU 232 N 0.26 0.00 -0.33 3.56 5.08 -1.92 -2.02 114.58 119.21 3imf h GLU 232 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3imf h GLU 232 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3imf h GLU 232 CO -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 3imf n ALA 233 N -2.47 2.46 0.29 3.43 0.00 -0.75 -4.59 120.51 118.88 3imf n ALA 233 Ca -0.03 -0.68 0.14 0.00 0.00 0.00 0.00 53.44 52.87 3imf n ALA 233 Cb 0.09 -1.00 0.76 0.00 0.00 0.00 0.00 19.45 19.31 3imf n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3imf h ALA 234 N 3.90 1.23 -0.28 0.00 0.00 -1.43 -0.07 119.26 122.62 3imf h ALA 234 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3imf h ALA 234 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3imf h ALA 234 CO 0.00 -0.23 0.00 0.98 0.00 0.00 0.00 179.25 180.00 3imf n TYR 235 N -2.69 0.36 -3.16 0.00 9.36 -1.26 -4.84 117.16 114.92 3imf n TYR 235 Ca -0.02 -0.18 -0.40 0.00 3.32 0.00 0.00 57.90 60.62 3imf n TYR 235 Cb 0.29 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.94 3imf n TYR 235 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3imf s ILE 236 N -1.64 5.03 -0.22 2.97 1.01 -0.04 -5.02 121.20 123.28 3imf s ILE 236 Ca 0.36 1.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.89 3imf s ILE 236 Cb 0.21 -3.89 0.06 0.00 0.01 0.00 0.00 42.46 38.85 3imf s ILE 236 CO 0.30 0.07 0.56 0.21 0.00 0.00 0.00 174.94 176.09 3imf s ASN 237 N 1.42 -0.68 -0.65 3.58 2.47 -1.26 -4.77 114.94 115.05 3imf s ASN 237 Ca 0.25 1.18 0.00 0.00 0.42 0.00 0.00 52.86 54.71 3imf s ASN 237 Cb -0.16 1.12 0.00 0.00 -1.45 0.00 0.00 41.25 40.76 3imf s ASN 237 CO 0.09 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 173.87 3imf n GLY 238 N 3.64 0.50 3.58 1.21 0.00 0.90 -4.99 105.19 110.03 3imf n GLY 238 Ca -0.18 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 3imf n GLY 238 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3imf s THR 239 N -2.30 2.22 0.00 2.61 -1.32 -1.26 -4.74 115.64 110.86 3imf s THR 239 Ca 0.00 -2.10 0.00 0.00 -1.21 0.00 0.00 61.69 58.38 3imf s THR 239 Cb 0.00 -2.78 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 3imf s THR 239 CO 0.00 -0.13 0.00 0.00 -2.21 0.00 0.00 174.62 172.28 3imf n THR 242 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -4.91 114.28 107.07 3imf n THR 242 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 3imf n THR 242 Cb 0.00 0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 3imf n THR 242 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3imf n ASP 244 N -1.11 0.00 -0.06 8.00 5.75 -1.26 -4.94 116.55 122.92 3imf n ASP 244 Ca -0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.74 3imf n ASP 244 Cb 0.27 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3imf n ASP 244 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3imf n GLY 245 N 0.00 0.16 0.51 6.12 0.00 -1.26 -1.64 105.19 109.09 3imf n GLY 245 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3imf n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imf n GLY 246 N 0.23 0.81 0.35 -0.02 0.00 -1.26 -3.20 105.19 102.10 3imf n GLY 246 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3imf n GLY 246 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3imf h GLN 247 N 3.68 1.13 0.00 1.61 4.15 -1.55 -2.64 115.11 121.49 3imf h GLN 247 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3imf h GLN 247 Cb 0.00 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.43 3imf h GLN 247 CO 0.00 0.75 0.00 -2.39 -1.93 0.00 0.00 178.83 175.26 3imf n HIS 248 N -4.50 0.59 -1.78 3.99 1.44 -1.26 -4.78 115.22 108.92 3imf n HIS 248 Ca 0.13 0.23 -0.31 0.00 -2.01 0.00 0.00 57.72 55.76 3imf n HIS 248 Cb 0.12 -0.87 0.03 0.00 0.12 0.00 0.00 29.99 29.39 3imf n HIS 248 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3imf s LEU 249 N -4.08 3.13 0.21 2.39 1.43 -1.00 -4.99 118.68 115.78 3imf s LEU 249 Ca 0.05 1.43 -0.31 0.00 -1.03 0.00 0.00 54.13 54.27 3imf s LEU 249 Cb 0.09 -4.38 -0.11 0.00 0.03 0.00 0.00 46.19 41.83 3imf s LEU 249 CO 0.36 -1.13 1.59 -1.00 0.23 0.00 0.00 176.35 176.40 3imf s HIS 250 N -3.17 2.96 -0.49 0.29 3.76 -1.26 -4.91 115.29 112.48 3imf s HIS 250 Ca 0.56 0.65 0.22 0.00 -0.15 0.00 0.00 55.06 56.34 3imf s HIS 250 Cb -0.12 -3.99 -0.11 0.00 1.11 0.00 0.00 32.58 29.47 3imf s HIS 250 CO 0.54 -3.56 0.85 1.04 -0.85 0.00 0.00 174.74 172.77 3imf n GLN 251 N 3.38 0.36 -3.92 1.40 1.13 -1.26 -4.95 117.38 113.53 3imf n GLN 251 Ca 0.12 -0.05 -0.10 0.00 -1.94 0.00 0.00 57.00 55.03 3imf n GLN 251 Cb 0.38 -1.57 -0.10 0.00 0.11 0.00 0.00 30.24 29.06 3imf n GLN 251 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3imf s TYR 252 N -3.26 0.17 -2.30 1.08 2.02 -1.26 -5.18 117.35 108.62 3imf s TYR 252 Ca 0.01 -0.41 0.30 0.00 -0.37 0.00 0.00 57.07 56.60 3imf s TYR 252 Cb 0.14 -0.13 1.40 0.00 -0.40 0.00 0.00 41.96 42.97 3imf s TYR 252 CO 0.84 -0.31 1.94 -0.35 -1.57 0.00 0.00 175.55 176.10