#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 -0.21 0.00 4.81 -1.26 -3.43 118.16 118.07 3imf n LYS 2 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 3imf n LYS 2 Cb 0.00 -0.77 0.25 0.00 0.02 0.00 0.00 35.03 34.52 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 0.00 2.47 -3.69 1.64 1.02 -1.26 -4.64 120.64 116.18 3imf n GLU 3 Ca 0.00 -2.23 -0.26 0.00 -0.02 0.00 0.00 57.16 54.65 3imf n GLU 3 Cb 0.00 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.45 3.50 -0.15 3.49 1.02 -1.22 -4.97 119.74 119.96 3imf s LYS 4 Ca 0.40 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 56.00 3imf s LYS 4 Cb 0.23 -2.82 0.02 0.00 -0.52 0.00 0.00 37.83 34.73 3imf s LYS 4 CO 0.31 0.37 -0.17 0.08 -0.92 0.00 0.00 175.35 175.02 3imf s VAL 5 N -1.94 1.79 -0.14 3.17 1.01 -1.26 -0.83 120.40 122.20 3imf s VAL 5 Ca 0.38 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3imf s VAL 5 Cb -0.11 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 3imf s VAL 5 CO 0.30 0.50 -0.16 -0.69 0.00 0.00 0.00 175.10 175.05 3imf s VAL 6 N 1.23 2.70 -0.21 2.92 1.01 -0.09 -0.92 120.40 127.03 3imf s VAL 6 Ca 0.01 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 3imf s VAL 6 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3imf s VAL 6 CO -0.08 0.52 0.09 -0.63 0.00 0.00 0.00 175.10 175.00 3imf s ILE 7 N 0.65 4.90 -0.23 2.22 1.01 0.65 -0.29 121.20 130.12 3imf s ILE 7 Ca -0.08 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.59 3imf s ILE 7 Cb -0.16 -3.25 0.06 0.00 0.01 0.00 0.00 42.46 39.12 3imf s ILE 7 CO 0.02 0.41 -0.07 -0.63 0.00 0.00 0.00 174.94 174.67 3imf s ILE 8 N 0.76 1.58 0.38 2.92 1.01 0.62 -0.54 121.20 127.93 3imf s ILE 8 Ca 0.05 -1.18 -0.24 0.00 0.00 0.00 0.00 60.65 59.27 3imf s ILE 8 Cb -0.13 -1.80 -0.10 0.00 0.01 0.00 0.00 42.46 40.45 3imf s ILE 8 CO 0.02 -0.03 1.00 0.42 0.00 0.00 0.00 174.94 176.35 3imf s THR 9 N 1.38 3.99 -1.43 2.92 -4.23 -0.84 -2.20 115.64 115.24 3imf s THR 9 Ca -0.05 1.52 -0.05 0.00 -1.18 0.00 0.00 61.69 61.93 3imf s THR 9 Cb -0.18 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 69.88 3imf s THR 9 CO -0.07 0.01 0.67 0.61 -0.54 0.00 0.00 174.62 175.30 3imf n GLY 10 N 0.27 -0.44 0.48 3.99 0.00 -0.89 -2.51 105.19 106.09 3imf n GLY 10 Ca 0.04 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.56 0.19 0.10 -0.02 0.00 -0.90 -4.05 105.19 98.95 3imf n GLY 11 Ca -0.09 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 0.23 0.82 -3.98 1.61 3.41 -1.26 -3.27 113.62 111.17 3imf n SER 12 Ca 0.11 -0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 58.01 3imf n SER 12 Cb 0.24 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.82 -0.00 0.00 4.04 1.04 -1.26 -4.64 113.70 110.06 3imf s SER 13 Ca 0.15 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3imf s SER 13 Cb 0.18 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3imf s SER 13 CO 0.66 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.38 3imf n GLY 14 N -0.38 -0.01 2.92 7.32 0.00 -1.26 -1.81 105.19 111.97 3imf n GLY 14 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.28 -0.02 0.00 -1.26 -1.12 105.19 103.06 3imf n GLY 16 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.79 -0.06 1.61 3.64 -1.34 -0.15 116.57 121.07 3imf h LYS 17 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3imf h LYS 17 Cb 0.00 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3imf h LYS 17 CO 0.00 0.87 0.00 0.41 -2.27 0.00 0.00 179.45 178.46 3imf n GLY 18 N -0.42 0.01 1.22 5.01 0.00 -0.28 -0.62 105.19 110.11 3imf n GLY 18 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.51 0.00 -0.17 4.61 0.00 -0.07 -2.50 120.51 122.90 3imf n ALA 20 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3imf n ALA 20 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 1.18 -0.20 0.00 2.02 -1.12 -1.60 112.91 113.19 3imf h THR 21 Ca 0.00 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 3imf h THR 21 Cb 0.00 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3imf h THR 21 CO 0.00 0.20 -0.05 -0.09 0.37 0.00 0.00 175.52 175.95 3imf h ARG 22 N 0.64 0.39 -0.51 6.66 9.65 -1.75 -1.68 114.38 127.78 3imf h ARG 22 Ca 0.17 -0.15 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 3imf h ARG 22 Cb 0.09 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3imf h ARG 22 CO -0.02 0.64 0.15 0.74 2.80 0.00 0.00 179.97 184.28 3imf h PHE 23 N 0.12 0.78 -0.22 2.20 0.04 -1.84 -1.74 116.94 116.27 3imf h PHE 23 Ca 0.05 -0.06 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 3imf h PHE 23 Cb 0.50 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3imf h PHE 23 CO 0.05 0.64 -0.47 0.00 -0.60 0.00 0.00 178.31 177.93 3imf h ALA 24 N 1.42 0.77 0.00 2.45 0.00 -1.23 -2.18 119.26 120.49 3imf h ALA 24 Ca 0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3imf h ALA 24 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3imf h ALA 24 CO -0.01 0.67 -0.18 0.87 0.00 0.00 0.00 179.25 180.60 3imf h LYS 25 N 0.46 0.00 -0.10 0.00 1.57 -0.83 -1.66 116.57 116.01 3imf h LYS 25 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3imf h LYS 25 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3imf h LYS 25 CO 0.09 0.18 0.00 0.39 -0.57 0.00 0.00 179.45 179.54 3imf n GLU 26 N -3.72 1.58 -0.61 3.15 -0.58 -0.70 -4.94 120.64 114.81 3imf n GLU 26 Ca -0.02 -0.86 0.00 0.00 -0.42 0.00 0.00 57.16 55.86 3imf n GLU 26 Cb 0.30 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 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 1.09 0.74 3.83 0.62 0.00 -0.63 -4.16 105.19 106.70 3imf n GLY 27 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.53 2.79 0.11 4.61 0.00 -0.86 -4.34 121.76 121.55 3imf s ALA 28 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.71 3imf s ALA 28 Cb 0.00 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 3imf s ALA 28 CO 0.00 -1.09 0.86 1.03 0.00 0.00 0.00 175.76 176.56 3imf s ARG 29 N -5.09 4.62 -0.07 0.00 1.81 -0.01 -4.51 118.95 115.71 3imf s ARG 29 Ca 0.57 1.27 0.04 0.00 -1.72 0.00 0.00 55.73 55.89 3imf s ARG 29 Cb -0.13 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.03 3imf s ARG 29 CO 0.55 0.34 -0.19 0.08 -0.68 0.00 0.00 175.30 175.40 3imf s VAL 30 N -0.38 1.63 -0.23 3.52 1.01 -0.66 -0.92 120.40 124.38 3imf s VAL 30 Ca 0.41 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 3imf s VAL 30 Cb -0.23 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 3imf s VAL 30 CO 0.27 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 175.10 3imf s VAL 31 N 0.27 3.29 -0.08 2.92 1.01 0.60 -0.99 120.40 127.41 3imf s VAL 31 Ca -0.11 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3imf s VAL 31 Cb -0.15 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3imf s VAL 31 CO 0.05 0.36 -0.12 0.27 0.00 0.00 0.00 175.10 175.67 3imf s ILE 32 N 1.45 3.24 0.24 2.22 -4.36 -0.56 -0.28 121.20 123.14 3imf s ILE 32 Ca 0.05 -0.63 0.10 0.00 -0.26 0.00 0.00 60.65 59.90 3imf s ILE 32 Cb -0.15 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 3imf s ILE 32 CO -0.03 0.57 -0.06 0.42 0.24 0.00 0.00 174.94 176.07 3imf s THR 33 N -0.35 3.23 -0.01 8.37 -4.23 -0.93 -1.39 115.64 120.31 3imf s THR 33 Ca 0.04 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.37 3imf s THR 33 Cb -0.12 -2.67 0.11 0.00 1.34 0.00 0.00 72.50 71.15 3imf s THR 33 CO 0.02 -0.28 1.28 -0.83 -0.54 0.00 0.00 174.62 174.28 3imf s GLY 34 N -3.34 -0.26 -0.10 3.99 0.00 -1.01 -2.10 107.32 104.50 3imf s GLY 34 Ca 0.29 0.34 0.20 0.00 0.00 0.00 0.00 44.72 45.55 3imf s GLY 34 CO 0.17 2.89 0.30 -2.13 0.00 0.00 0.00 173.10 174.34 3imf n ARG 35 N -0.70 0.67 -4.86 2.90 3.00 -1.26 -4.19 116.66 112.22 3imf n ARG 35 Ca -0.02 -0.11 -0.33 0.00 -0.00 0.00 0.00 57.85 57.39 3imf n ARG 35 Cb 0.61 -1.52 -0.16 0.00 0.00 0.00 0.00 32.46 31.39 3imf n ARG 35 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3imf s THR 36 N -3.05 2.51 0.11 5.15 -4.23 -1.26 -5.02 115.64 109.85 3imf s THR 36 Ca -0.09 -0.85 -0.29 0.00 -1.18 0.00 0.00 61.69 59.29 3imf s THR 36 Cb 0.10 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 71.84 3imf s THR 36 CO 0.87 0.54 1.61 0.50 -0.54 0.00 0.00 174.62 177.60 3imf h LYS 37 N 6.91 -0.55 -0.96 3.99 3.64 -2.00 -2.87 116.57 124.73 3imf h LYS 37 Ca -0.26 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 3imf h LYS 37 Cb 1.21 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.10 3imf h LYS 37 CO 0.53 -0.36 0.63 1.05 -2.27 0.00 0.00 179.45 179.02 3imf h GLU 38 N -0.57 1.20 -0.71 1.90 9.09 -1.99 -0.70 114.58 122.80 3imf h GLU 38 Ca 0.03 -0.07 -0.05 0.00 0.05 0.00 0.00 59.36 59.32 3imf h GLU 38 Cb 0.60 -0.27 -0.03 0.00 -1.65 0.00 0.00 28.75 27.40 3imf h GLU 38 CO -0.20 0.79 0.26 0.87 0.05 0.00 0.00 179.01 180.79 3imf h LYS 39 N 1.23 1.08 -0.37 1.06 1.57 -1.95 -0.93 116.57 118.26 3imf h LYS 39 Ca 0.38 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3imf h LYS 39 Cb -0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3imf h LYS 39 CO -0.12 0.90 0.20 -0.07 -0.57 0.00 0.00 179.45 179.80 3imf h LEU 40 N 1.03 0.47 -1.07 2.94 3.38 -1.16 -0.78 115.31 120.11 3imf h LEU 40 Ca 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3imf h LEU 40 Cb 0.25 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3imf h LEU 40 CO -0.01 0.43 0.35 -0.33 0.09 0.00 0.00 178.44 178.97 3imf h GLU 41 N 0.47 1.01 -0.22 1.13 5.08 -0.90 -0.16 114.58 120.98 3imf h GLU 41 Ca 0.13 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3imf h GLU 41 Cb 0.07 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3imf h GLU 41 CO -0.02 0.77 -0.21 0.93 -1.00 0.00 0.00 179.01 179.47 3imf h GLU 42 N 1.01 0.54 -0.28 2.33 5.08 -0.92 -2.44 114.58 119.89 3imf h GLU 42 Ca 0.25 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3imf h GLU 42 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3imf h GLU 42 CO -0.03 0.87 0.18 0.00 -1.00 0.00 0.00 179.01 179.02 3imf h ALA 43 N 0.66 0.35 -0.27 3.43 0.00 -0.90 -2.07 119.26 120.46 3imf h ALA 43 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3imf h ALA 43 Cb 0.76 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3imf h ALA 43 CO 0.05 -0.19 -0.11 -0.22 0.00 0.00 0.00 179.25 178.79 3imf h LYS 44 N 0.37 -0.06 -0.81 0.00 3.64 -0.99 -0.62 116.57 118.10 3imf h LYS 44 Ca 0.10 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3imf h LYS 44 Cb -0.03 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3imf h LYS 44 CO -0.03 -0.04 0.54 -0.07 -2.27 0.00 0.00 179.45 177.58 3imf h LEU 45 N -0.06 0.90 -0.49 5.20 3.38 -1.26 -0.79 115.31 122.19 3imf h LEU 45 Ca 0.14 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 3imf h LEU 45 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3imf h LEU 45 CO -0.32 0.64 -0.50 -0.08 0.09 0.00 0.00 178.44 178.27 3imf h GLU 46 N 1.05 0.67 0.00 1.13 4.81 -0.61 -3.37 114.58 118.26 3imf h GLU 46 Ca 0.31 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3imf h GLU 46 Cb -0.05 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3imf h GLU 46 CO -0.08 1.01 -1.90 0.44 -0.73 0.00 0.00 179.01 177.75 3imf n ILE 47 N -3.99 0.11 -1.83 2.32 -5.35 -0.32 -4.98 119.36 105.32 3imf n ILE 47 Ca -0.03 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.56 3imf n ILE 47 Cb 0.58 0.01 -0.03 0.00 -1.74 0.00 0.00 39.64 38.46 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 -3.24 4.17 0.04 6.28 2.12 -0.33 -4.75 118.70 122.99 3imf s GLU 48 Ca -0.07 2.46 0.22 0.00 0.36 0.00 0.00 54.97 57.94 3imf s GLU 48 Cb 0.12 -3.43 -0.21 0.00 0.26 0.00 0.00 34.13 30.87 3imf s GLU 48 CO 0.79 -0.74 0.67 1.04 -0.54 0.00 0.00 175.26 176.47 3imf n GLN 49 N 5.04 0.64 -3.57 4.30 1.13 -1.26 -5.00 117.38 118.66 3imf n GLN 49 Ca 0.16 -0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 55.06 3imf n GLN 49 Cb 0.39 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 29.05 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 -3.36 -0.31 0.17 1.08 -0.12 -1.26 -5.10 117.98 109.07 3imf s PHE 50 Ca -0.05 0.03 -0.32 0.00 -0.05 0.00 0.00 56.93 56.54 3imf s PHE 50 Cb 0.12 0.36 -0.11 0.00 -0.63 0.00 0.00 43.02 42.76 3imf s PHE 50 CO 0.86 -0.75 1.66 -2.14 -0.05 0.00 0.00 175.22 174.80 3imf s PRO 51 N -3.79 4.17 0.00 1.99 0.02 -1.26 -2.17 135.00 133.96 3imf s PRO 51 Ca 0.02 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3imf s PRO 51 Cb 0.01 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3imf s PRO 51 CO -0.12 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 3imf n GLY 52 N 3.91 0.59 0.20 0.52 0.00 -1.26 -4.94 105.19 104.21 3imf n GLY 52 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 1.55 0.60 -5.52 1.61 4.15 -1.83 -3.44 115.11 112.23 3imf h GLN 53 Ca 0.00 -0.51 -0.65 0.00 0.77 0.00 0.00 58.65 58.26 3imf h GLN 53 Cb 0.00 0.11 -0.21 0.00 0.21 0.00 0.00 27.48 27.59 3imf h GLN 53 CO 0.00 1.13 -0.68 0.42 -1.93 0.00 0.00 178.83 177.77 3imf s ILE 54 N -3.62 3.78 -0.22 2.39 -1.09 -1.26 -1.65 121.20 119.53 3imf s ILE 54 Ca -0.08 -0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 57.90 3imf s ILE 54 Cb 0.09 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 3imf s ILE 54 CO 0.88 0.53 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.83 3imf s LEU 55 N 0.04 2.85 -0.03 2.97 2.96 -0.16 -4.99 118.68 122.32 3imf s LEU 55 Ca -0.01 -0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 53.29 3imf s LEU 55 Cb -0.14 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 3imf s LEU 55 CO 0.03 -0.03 0.34 0.42 -1.32 0.00 0.00 176.35 175.78 3imf s THR 56 N 1.44 5.16 -0.13 3.68 -4.23 -1.26 -1.50 115.64 118.80 3imf s THR 56 Ca 0.05 0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 61.20 3imf s THR 56 Cb -0.14 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.11 3imf s THR 56 CO -0.05 0.58 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.89 3imf s VAL 57 N -1.08 0.81 -0.18 2.29 1.01 -0.49 -4.96 120.40 117.80 3imf s VAL 57 Ca 0.22 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.63 3imf s VAL 57 Cb -0.15 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3imf s VAL 57 CO 0.11 0.18 0.79 -1.58 0.00 0.00 0.00 175.10 174.60 3imf s GLN 58 N 1.78 4.27 -0.05 2.72 0.74 -1.26 -2.42 119.66 125.45 3imf s GLN 58 Ca 0.03 0.93 -0.01 0.00 0.05 0.00 0.00 55.36 56.36 3imf s GLN 58 Cb -0.14 -3.58 0.03 0.00 1.10 0.00 0.00 33.01 30.42 3imf s GLN 58 CO -0.07 -0.32 0.02 0.34 -0.55 0.00 0.00 175.29 174.71 3imf s ASP 60 N 1.18 1.00 0.16 6.67 2.15 -1.26 -4.96 116.67 121.59 3imf s ASP 60 Ca 0.36 -0.01 0.17 0.00 0.43 0.00 0.00 52.55 53.50 3imf s ASP 60 Cb -0.16 -0.26 0.76 0.00 -0.30 0.00 0.00 42.92 42.95 3imf s ASP 60 CO 0.12 -0.18 1.52 1.33 -0.17 0.00 0.00 175.17 177.79 3imf n VAL 61 N 4.81 1.11 1.06 1.11 0.24 -1.26 -1.51 118.33 123.88 3imf n VAL 61 Ca -0.13 0.38 0.13 0.00 -2.04 0.00 0.00 64.34 62.68 3imf n VAL 61 Cb 0.50 -1.28 0.52 0.00 -1.47 0.00 0.00 33.84 32.11 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 -1.91 0.08 -3.56 7.34 1.74 -1.26 -4.31 116.66 114.77 3imf n ARG 62 Ca 0.01 -0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 3imf n ARG 62 Cb 0.14 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 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 -2.93 5.75 0.47 0.55 3.84 -0.57 -4.95 114.94 117.09 3imf s ASN 63 Ca 0.15 -1.38 0.14 0.00 0.21 0.00 0.00 52.86 51.99 3imf s ASN 63 Cb 0.19 -2.03 1.07 0.00 -0.55 0.00 0.00 41.25 39.92 3imf s ASN 63 CO 0.57 -0.53 2.04 0.71 -2.79 0.00 0.00 177.10 177.10 3imf h THR 64 N 5.98 1.09 -0.41 -5.21 1.35 -1.85 -1.11 112.91 112.75 3imf h THR 64 Ca -0.24 -0.44 -0.13 0.00 -0.55 0.00 0.00 66.41 65.05 3imf h THR 64 Cb 1.09 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 3imf h THR 64 CO 0.76 0.13 -0.25 0.44 -0.25 0.00 0.00 175.52 176.35 3imf h ASP 65 N 0.02 0.88 -0.56 5.36 3.32 -1.95 -2.33 116.42 121.17 3imf h ASP 65 Ca 0.00 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 3imf h ASP 65 Cb 0.22 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3imf h ASP 65 CO 0.02 1.08 0.20 0.44 -1.72 0.00 0.00 179.24 179.26 3imf h ASP 66 N 0.74 0.79 -0.32 6.45 3.32 -1.54 -2.01 116.42 123.85 3imf h ASP 66 Ca 0.09 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3imf h ASP 66 Cb 0.79 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3imf h ASP 66 CO 0.07 0.77 0.19 0.40 -1.72 0.00 0.00 179.24 178.94 3imf h ILE 67 N 0.78 1.04 -0.44 0.35 2.04 -1.26 -2.96 117.51 117.06 3imf h ILE 67 Ca 0.18 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3imf h ILE 67 Cb 0.24 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3imf h ILE 67 CO -0.01 0.07 0.26 -0.61 0.00 0.00 0.00 178.15 177.86 3imf h GLN 68 N 0.39 0.51 -1.20 2.37 5.75 -1.29 -1.36 115.11 120.28 3imf h GLN 68 Ca 0.12 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3imf h GLN 68 Cb -0.01 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.43 3imf h GLN 68 CO -0.05 0.34 0.00 1.63 -2.65 0.00 0.00 178.83 178.09 3imf n LYS 69 N -4.84 0.06 0.00 1.69 5.02 -0.77 -1.67 118.16 117.66 3imf n LYS 69 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3imf n LYS 69 Cb 0.06 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 0.77 0.00 -0.13 -0.18 5.41 -0.51 -1.28 119.36 123.44 3imf n ILE 71 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 3imf n ILE 71 Cb 0.02 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 38.99 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 0.33 -0.32 0.38 5.08 -1.59 0.49 114.58 118.95 3imf h GLU 72 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3imf h GLU 72 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3imf h GLU 72 CO 0.00 0.22 0.11 0.37 -1.00 0.00 0.00 179.01 178.71 3imf h GLN 73 N 0.34 0.49 -0.32 2.33 4.15 -1.46 -0.80 115.11 119.84 3imf h GLN 73 Ca 0.20 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3imf h GLN 73 Cb 0.17 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3imf h GLN 73 CO -0.19 0.52 0.16 0.82 -1.93 0.00 0.00 178.83 178.21 3imf h ILE 74 N 0.37 1.15 -0.82 2.39 2.04 -1.77 -1.23 117.51 119.65 3imf h ILE 74 Ca 0.11 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3imf h ILE 74 Cb 0.22 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3imf h ILE 74 CO -0.01 0.16 0.42 -0.78 0.00 0.00 0.00 178.15 177.94 3imf h ASP 75 N 0.39 1.04 -0.48 1.72 3.58 -0.76 0.29 116.42 122.19 3imf h ASP 75 Ca 0.11 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 3imf h ASP 75 Cb 0.10 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3imf h ASP 75 CO -0.02 0.85 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.08 3imf h GLU 76 N 1.15 0.88 0.23 0.28 4.22 -0.90 0.22 114.58 120.65 3imf h GLU 76 Ca 0.28 -0.30 -0.35 0.00 0.08 0.00 0.00 59.36 59.08 3imf h GLU 76 Cb 0.07 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.28 3imf h GLU 76 CO -0.04 0.94 -1.61 0.87 -2.18 0.00 0.00 179.01 176.99 3imf h LYS 77 N 0.73 0.48 0.00 1.92 1.57 -0.60 -3.41 116.57 117.27 3imf h LYS 77 Ca 0.13 -0.83 -0.00 0.00 -1.87 0.00 0.00 60.65 58.09 3imf h LYS 77 Cb 0.56 0.31 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 3imf h LYS 77 CO 0.03 1.40 -1.32 1.19 -0.57 0.00 0.00 179.45 180.17 3imf n PHE 78 N -3.66 0.00 -0.99 -1.35 3.72 0.95 -5.04 117.46 111.08 3imf n PHE 78 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 3imf n PHE 78 Cb 1.10 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 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 0.69 3.65 1.37 0.00 0.06 -4.97 105.19 108.11 3imf n GLY 79 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.04 0.95 -0.11 1.61 1.70 -1.26 -4.98 118.95 116.82 3imf s ARG 80 Ca 0.00 -0.48 -0.05 0.00 -0.47 0.00 0.00 55.73 54.73 3imf s ARG 80 Cb 0.00 0.36 0.05 0.00 -0.57 0.00 0.00 34.95 34.79 3imf s ARG 80 CO 0.00 -0.43 0.24 0.42 -1.08 0.00 0.00 175.30 174.45 3imf s ILE 81 N -3.10 -0.13 -0.11 4.99 1.01 -1.26 -4.74 121.20 117.86 3imf s ILE 81 Ca 0.10 0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.00 3imf s ILE 81 Cb -0.01 -0.38 -0.11 0.00 0.01 0.00 0.00 42.46 41.97 3imf s ILE 81 CO -0.02 0.08 -0.02 0.47 0.00 0.00 0.00 174.94 175.45 3imf n ASP 82 N 4.52 2.73 -3.81 3.58 9.92 -0.10 -4.93 116.55 128.46 3imf n ASP 82 Ca -0.20 -0.02 -0.14 0.00 -0.53 0.00 0.00 54.79 53.89 3imf n ASP 82 Cb 0.52 0.42 -0.15 0.00 -0.64 0.00 0.00 41.12 41.27 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 -2.24 -0.03 -0.14 0.53 1.01 -0.95 -2.30 121.20 117.08 3imf s ILE 83 Ca -0.09 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.72 3imf s ILE 83 Cb 0.03 -0.06 0.01 0.00 0.01 0.00 0.00 42.46 42.45 3imf s ILE 83 CO 0.36 0.06 -0.21 -0.22 0.00 0.00 0.00 174.94 174.93 3imf s LEU 84 N 0.70 2.15 -0.27 2.97 2.96 -0.72 -0.25 118.68 126.22 3imf s LEU 84 Ca -0.06 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.25 3imf s LEU 84 Cb -0.08 -1.46 0.04 0.00 0.50 0.00 0.00 46.19 45.19 3imf s LEU 84 CO -0.02 0.08 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.42 3imf s ILE 85 N 0.80 2.83 -0.60 6.68 1.01 0.30 -0.84 121.20 131.39 3imf s ILE 85 Ca -0.07 -1.20 -0.21 0.00 0.00 0.00 0.00 60.65 59.17 3imf s ILE 85 Cb -0.16 -2.52 0.07 0.00 0.01 0.00 0.00 42.46 39.87 3imf s ILE 85 CO -0.01 0.08 0.83 0.20 0.00 0.00 0.00 174.94 176.04 3imf s ASN 86 N 1.28 6.21 0.00 3.58 0.01 -0.46 -1.98 114.94 123.58 3imf s ASN 86 Ca -0.02 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.14 3imf s ASN 86 Cb -0.18 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.11 3imf s ASN 86 CO -0.04 -1.22 0.00 -3.20 -1.51 0.00 0.00 177.10 171.13 3imf n ASN 87 N 7.04 4.65 -4.70 -1.22 5.15 -1.24 -4.62 115.26 120.32 3imf n ASN 87 Ca -0.05 0.00 -0.65 0.00 -0.60 0.00 0.00 54.58 53.28 3imf n ASN 87 Cb 0.45 0.61 -0.09 0.00 -0.53 0.00 0.00 39.78 40.21 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 -1.74 -1.62 -2.70 5.20 0.00 -1.05 -4.83 120.51 113.78 3imf n ALA 88 Ca 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 53.44 53.85 3imf n ALA 88 Cb 0.32 -1.93 -0.07 0.00 0.00 0.00 0.00 19.45 17.77 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 2.47 0.15 -0.06 0.00 0.00 -1.26 -4.66 121.76 118.40 3imf s ALA 89 Ca 1.01 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 3imf s ALA 89 Cb -1.39 0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3imf s ALA 89 CO 0.75 -0.66 0.19 0.20 0.00 0.00 0.00 175.76 176.23 3imf s GLY 90 N -3.00 -0.12 -0.08 0.00 0.00 -1.26 -5.03 107.32 97.82 3imf s GLY 90 Ca 0.21 0.47 -0.30 0.00 0.00 0.00 0.00 44.72 45.10 3imf s GLY 90 CO 0.03 0.38 0.91 0.21 0.00 0.00 0.00 173.10 174.63 3imf s ASN 91 N -0.07 -0.40 -0.15 1.64 2.47 -1.26 -4.89 114.94 112.28 3imf s ASN 91 Ca -0.02 0.26 -0.34 0.00 0.42 0.00 0.00 52.86 53.19 3imf s ASN 91 Cb -0.02 0.37 0.13 0.00 -1.45 0.00 0.00 41.25 40.28 3imf s ASN 91 CO 0.00 -0.50 1.19 0.72 -3.72 0.00 0.00 177.10 174.79 3imf s PHE 92 N -2.00 -0.14 0.02 0.43 -0.71 -1.26 -5.16 117.98 109.16 3imf s PHE 92 Ca 0.00 0.07 -0.17 0.00 -1.04 0.00 0.00 56.93 55.79 3imf s PHE 92 Cb -0.01 0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 42.27 3imf s PHE 92 CO -0.02 -0.25 0.49 0.42 -1.34 0.00 0.00 175.22 174.52 3imf s ILE 93 N -2.49 4.90 -0.29 -4.49 1.01 -1.26 -4.67 121.20 113.92 3imf s ILE 93 Ca 0.10 1.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.63 3imf s ILE 93 Cb -0.00 -3.81 0.12 0.00 0.01 0.00 0.00 42.46 38.78 3imf s ILE 93 CO -0.05 0.54 0.86 0.00 0.00 0.00 0.00 174.94 176.29 3imf n PRO 95 N 4.11 1.70 -0.30 0.00 -0.02 -1.26 -4.52 135.00 134.71 3imf n PRO 95 Ca -0.18 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 3imf n PRO 95 Cb 0.57 -2.17 0.27 0.00 -0.02 0.00 0.00 33.50 32.15 3imf n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3imf h ALA 96 N 2.01 1.57 0.00 3.55 0.00 -1.98 -0.76 119.26 123.65 3imf h ALA 96 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3imf h ALA 96 Cb 1.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3imf h ALA 96 CO 0.60 0.26 0.00 -0.85 0.00 0.00 0.00 179.25 179.25 3imf n GLU 97 N -4.52 0.12 -0.00 0.00 0.00 -1.26 -2.99 120.64 111.99 3imf n GLU 97 Ca 0.15 0.22 0.10 0.00 0.00 0.00 0.00 57.16 57.63 3imf n GLU 97 Cb 0.27 -1.68 -0.13 0.00 0.00 0.00 0.00 31.44 29.90 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 -1.90 0.80 -4.71 -1.84 8.00 -0.32 -4.97 116.55 111.61 3imf n ASP 98 Ca 0.05 -0.77 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 3imf n ASP 98 Cb 0.30 1.21 -0.03 0.00 -0.02 0.00 0.00 41.12 42.58 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 -3.28 4.36 0.60 0.64 2.96 -1.00 -4.97 118.68 117.99 3imf s LEU 99 Ca 0.04 2.45 -0.16 0.00 -0.22 0.00 0.00 54.13 56.24 3imf s LEU 99 Cb 0.15 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 3imf s LEU 99 CO 0.85 -0.78 1.07 -0.94 -1.32 0.00 0.00 176.35 175.23 3imf s SER 100 N 1.54 5.62 0.30 3.68 1.04 -1.26 -4.87 113.70 119.76 3imf s SER 100 Ca 0.69 1.89 0.00 0.00 0.48 0.00 0.00 55.95 59.01 3imf s SER 100 Cb -0.40 -2.54 0.51 0.00 0.10 0.00 0.00 66.02 63.70 3imf s SER 100 CO 0.31 -1.28 1.94 0.58 0.98 0.00 0.00 173.24 175.77 3imf h VAL 101 N 0.42 1.12 -0.62 5.02 2.07 -1.99 -0.86 116.25 121.40 3imf h VAL 101 Ca -0.47 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 3imf h VAL 101 Cb 1.23 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3imf h VAL 101 CO 0.57 0.19 0.03 -1.13 0.02 0.00 0.00 177.57 177.25 3imf h ASN 102 N 1.04 1.05 -0.28 0.57 -1.24 -1.98 -0.01 115.58 114.73 3imf h ASN 102 Ca 0.35 -0.29 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 3imf h ASN 102 Cb 0.08 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 3imf h ASN 102 CO -0.11 1.08 0.10 1.23 -1.29 0.00 0.00 177.43 178.44 3imf h GLY 103 N 0.98 0.45 0.84 1.57 0.00 -1.73 -0.57 103.07 104.60 3imf h GLY 103 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3imf h GLY 103 CO 0.03 0.24 0.03 -0.25 0.00 0.00 0.00 176.54 176.58 3imf h TRP 104 N 0.29 0.15 -1.00 5.60 2.91 -1.10 -2.93 115.95 119.87 3imf h TRP 104 Ca 0.09 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.13 3imf h TRP 104 Cb 0.20 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 28.75 3imf h TRP 104 CO -0.00 0.29 0.66 -0.91 -1.03 0.00 0.00 178.44 177.44 3imf h ASN 105 N -0.03 1.10 -0.42 2.65 2.35 -0.88 -1.96 115.58 118.40 3imf h ASN 105 Ca 0.03 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 3imf h ASN 105 Cb 0.21 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3imf h ASN 105 CO -0.00 0.75 -0.05 0.77 -1.65 0.00 0.00 177.43 177.26 3imf h SER 106 N 1.27 0.82 -0.11 5.81 4.64 -1.04 0.97 113.55 125.92 3imf h SER 106 Ca 0.40 -0.23 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 3imf h SER 106 Cb -0.01 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3imf h SER 106 CO -0.12 0.91 -0.43 0.58 -0.87 0.00 0.00 176.83 176.90 3imf h VAL 107 N 0.77 1.37 -0.94 0.95 2.07 -1.32 -1.03 116.25 118.12 3imf h VAL 107 Ca 0.14 -1.75 0.01 0.00 0.82 0.00 0.00 66.70 65.93 3imf h VAL 107 Cb 0.53 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 3imf h VAL 107 CO 0.03 0.52 0.63 0.40 0.02 0.00 0.00 177.57 179.17 3imf h ILE 108 N 0.09 1.23 -0.23 4.57 1.08 -1.20 -1.23 117.51 121.82 3imf h ILE 108 Ca -0.02 -0.44 -0.05 0.00 -0.39 0.00 0.00 64.86 63.96 3imf h ILE 108 Cb 1.06 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 3imf h ILE 108 CO 0.09 0.23 -0.06 0.78 -0.69 0.00 0.00 178.15 178.50 3imf h ASN 109 N 1.27 0.45 -0.03 1.72 2.35 -0.73 -0.98 115.58 119.63 3imf h ASN 109 Ca 0.35 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3imf h ASN 109 Cb -0.13 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 3imf h ASN 109 CO -0.08 0.72 -0.05 0.40 -1.65 0.00 0.00 177.43 176.77 3imf h ILE 110 N 0.18 1.41 0.03 2.81 2.04 -1.09 0.03 117.51 122.93 3imf h ILE 110 Ca 0.06 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 3imf h ILE 110 Cb 0.52 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3imf h ILE 110 CO 0.02 0.35 -0.02 0.58 0.00 0.00 0.00 178.15 179.09 3imf h VAL 111 N -0.41 1.03 0.00 1.67 2.07 -1.29 -3.24 116.25 116.09 3imf h VAL 111 Ca 0.00 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 3imf h VAL 111 Cb 0.59 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3imf h VAL 111 CO 0.01 0.33 -0.21 0.25 0.02 0.00 0.00 177.57 177.98 3imf h LEU 112 N -0.96 0.00 -0.32 2.57 5.85 -1.36 -3.13 115.31 117.96 3imf h LEU 112 Ca -0.00 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3imf h LEU 112 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3imf h LEU 112 CO 0.01 0.69 0.11 0.78 -0.34 0.00 0.00 178.44 179.69 3imf h ASN 113 N -1.00 0.46 -0.80 1.25 2.35 -1.30 -1.99 115.58 114.56 3imf h ASN 113 Ca -0.02 -0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.57 3imf h ASN 113 Cb 0.34 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3imf h ASN 113 CO -0.01 0.53 0.52 1.23 -1.65 0.00 0.00 177.43 178.05 3imf h GLY 114 N 0.37 1.12 1.44 2.83 0.00 -1.01 0.16 103.07 107.99 3imf h GLY 114 Ca 0.11 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 3imf h GLY 114 CO -0.01 0.34 -0.41 -0.84 0.00 0.00 0.00 176.54 175.63 3imf h THR 115 N 0.99 1.30 -0.28 4.70 2.02 -1.43 -1.45 112.91 118.76 3imf h THR 115 Ca 0.32 -1.57 -0.10 0.00 0.77 0.00 0.00 66.41 65.82 3imf h THR 115 Cb 0.03 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3imf h THR 115 CO -0.09 0.50 -0.22 0.15 0.37 0.00 0.00 175.52 176.23 3imf h PHE 116 N 0.50 0.76 -0.57 3.16 3.57 -0.54 -0.47 116.94 123.36 3imf h PHE 116 Ca 0.04 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 3imf h PHE 116 Cb 0.92 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 3imf h PHE 116 CO 0.04 0.93 0.26 1.88 -2.23 0.00 0.00 178.31 179.19 3imf h TYR 117 N 0.38 0.83 -0.41 0.41 0.05 -0.60 0.74 116.97 118.36 3imf h TYR 117 Ca 0.05 -0.04 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 3imf h TYR 117 Cb 0.77 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3imf h TYR 117 CO 0.07 0.64 -0.17 0.00 -1.05 0.00 0.00 178.16 177.65 3imf h SER 119 N 0.67 0.99 -0.31 0.00 0.02 -0.80 -1.71 113.55 112.40 3imf h SER 119 Ca 0.10 -0.41 -0.15 0.00 -0.84 0.00 0.00 61.79 60.49 3imf h SER 119 Cb 0.73 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3imf h SER 119 CO 0.06 1.18 -0.35 -0.61 -1.14 0.00 0.00 176.83 175.96 3imf h GLN 120 N 0.79 0.85 -0.38 3.45 4.15 -0.87 -0.62 115.11 122.47 3imf h GLN 120 Ca 0.10 -0.42 -0.10 0.00 0.77 0.00 0.00 58.65 58.99 3imf h GLN 120 Cb 0.82 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 3imf h GLN 120 CO 0.07 1.06 -0.17 0.00 -1.93 0.00 0.00 178.83 177.86 3imf h ALA 121 N 0.89 0.54 -0.25 3.38 0.00 -1.27 -1.50 119.26 121.04 3imf h ALA 121 Ca 0.07 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 3imf h ALA 121 Cb 0.92 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3imf h ALA 121 CO 0.08 0.47 -0.45 0.82 0.00 0.00 0.00 179.25 180.17 3imf h ILE 122 N 0.59 1.30 -0.43 0.00 1.08 -1.30 -2.21 117.51 116.54 3imf h ILE 122 Ca 0.09 -1.65 -0.01 0.00 -0.39 0.00 0.00 64.86 62.90 3imf h ILE 122 Cb 0.71 1.59 -0.02 0.00 -3.07 0.00 0.00 36.82 36.04 3imf h ILE 122 CO 0.05 0.52 0.24 1.23 -0.69 0.00 0.00 178.15 179.51 3imf h GLY 123 N 0.99 0.63 1.27 5.37 0.00 -0.95 -0.48 103.07 109.89 3imf h GLY 123 Ca 0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 3imf h GLY 123 CO 0.09 0.27 0.23 0.50 0.00 0.00 0.00 176.54 177.63 3imf h LYS 124 N 0.56 0.93 -0.32 4.80 1.57 -1.18 0.28 116.57 123.21 3imf h LYS 124 Ca 0.15 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3imf h LYS 124 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3imf h LYS 124 CO -0.03 0.78 0.15 -0.92 -0.57 0.00 0.00 179.45 178.86 3imf h TYR 125 N 0.91 0.47 -0.76 -1.35 5.03 -0.96 -1.77 116.97 118.55 3imf h TYR 125 Ca 0.21 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.44 3imf h TYR 125 Cb 0.21 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 3imf h TYR 125 CO 0.01 0.42 0.26 -1.49 -1.32 0.00 0.00 178.16 176.04 3imf h TRP 126 N 0.39 1.19 -0.51 -3.82 6.55 -0.50 -2.51 115.95 116.73 3imf h TRP 126 Ca 0.11 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.85 3imf h TRP 126 Cb 0.13 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 28.05 3imf h TRP 126 CO -0.02 0.92 0.33 0.82 -1.05 0.00 0.00 178.44 179.45 3imf h ILE 127 N 1.12 1.14 -0.33 1.49 2.04 -0.32 0.21 117.51 122.85 3imf h ILE 127 Ca 0.25 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 3imf h ILE 127 Cb 0.27 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3imf h ILE 127 CO -0.01 0.14 -0.09 -0.08 0.00 0.00 0.00 178.15 178.11 3imf h GLU 128 N 0.69 0.54 -0.30 2.37 4.81 -1.17 -3.05 114.58 118.47 3imf h GLU 128 Ca 0.18 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3imf h GLU 128 Cb -0.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3imf h GLU 128 CO -0.04 0.63 0.00 1.63 -0.73 0.00 0.00 179.01 180.50 3imf n LYS 129 N -4.22 2.41 -3.05 1.92 5.02 -0.96 -4.97 118.16 114.30 3imf n LYS 129 Ca 0.01 -2.11 -0.21 0.00 -2.02 0.00 0.00 58.31 53.98 3imf n LYS 129 Cb 0.31 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.86 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 1.45 -0.42 3.77 0.72 0.00 -0.08 -4.99 105.19 105.63 3imf n GLY 130 Ca 0.18 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.16 5.23 -1.21 -0.61 1.01 -0.35 -5.01 121.20 117.10 3imf s ILE 131 Ca 0.32 0.67 -0.12 0.00 0.00 0.00 0.00 60.65 61.53 3imf s ILE 131 Cb -0.14 -3.67 0.19 0.00 0.01 0.00 0.00 42.46 38.85 3imf s ILE 131 CO 0.40 0.45 1.48 0.29 0.00 0.00 0.00 174.94 177.56 3imf n LYS 132 N 2.98 3.46 -1.44 2.79 4.76 -1.26 -4.66 118.16 124.79 3imf n LYS 132 Ca -0.12 -3.89 -0.30 0.00 -2.87 0.00 0.00 58.31 51.13 3imf n LYS 132 Cb 0.52 -2.95 0.20 0.00 -1.84 0.00 0.00 35.03 30.96 3imf n LYS 132 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3imf s GLY 133 N 2.20 1.64 -0.04 0.72 0.00 -1.26 -4.84 107.32 105.75 3imf s GLY 133 Ca 0.41 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 3imf s GLY 133 CO -0.00 -0.15 0.03 0.21 0.00 0.00 0.00 173.10 173.18 3imf s ASN 134 N -4.22 0.77 -0.06 1.64 2.47 -0.97 -1.91 114.94 112.65 3imf s ASN 134 Ca 0.70 0.01 0.03 0.00 0.42 0.00 0.00 52.86 54.03 3imf s ASN 134 Cb -0.09 -0.20 -0.02 0.00 -1.45 0.00 0.00 41.25 39.49 3imf s ASN 134 CO 0.55 -0.17 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.99 3imf s ILE 135 N 1.56 3.09 -0.12 -5.21 1.01 0.39 -1.75 121.20 120.17 3imf s ILE 135 Ca -0.02 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.92 3imf s ILE 135 Cb -0.13 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3imf s ILE 135 CO -0.03 0.58 -0.09 -0.63 0.00 0.00 0.00 174.94 174.77 3imf s ILE 136 N -0.58 1.14 0.00 2.92 1.01 -0.02 -1.51 121.20 124.16 3imf s ILE 136 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.37 3imf s ILE 136 Cb -0.11 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.22 3imf s ILE 136 CO 0.01 0.39 0.00 0.59 0.00 0.00 0.00 174.94 175.93 3imf n ASN 137 N 4.85 0.00 0.00 3.58 3.02 0.84 -1.35 115.26 126.20 3imf n ASN 137 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 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 -3.90 2.41 0.24 0.44 -1.10 118.33 116.42 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 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.17 0.22 2.33 0.00 -1.26 -4.13 121.76 117.76 3imf s ALA 140 Ca 0.00 -0.44 0.36 0.00 0.00 0.00 0.00 51.96 51.88 3imf s ALA 140 Cb 0.00 0.25 1.67 0.00 0.00 0.00 0.00 23.12 25.03 3imf s ALA 140 CO 0.00 -0.32 2.08 1.79 0.00 0.00 0.00 175.76 179.31 3imf h THR 141 N 3.66 0.00 -0.00 0.00 1.35 -1.86 -0.19 112.91 115.86 3imf h THR 141 Ca -0.32 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3imf h THR 141 Cb 1.19 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 3imf h THR 141 CO 0.49 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 175.76 3imf n TYR 142 N -3.00 0.00 0.26 4.73 4.11 -1.26 -3.62 117.16 118.38 3imf n TYR 142 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 57.99 3imf n TYR 142 Cb 0.22 -0.15 0.67 0.00 -0.00 0.00 0.00 39.34 40.08 3imf n TYR 142 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3imf h ALA 143 N 3.70 1.60 -0.24 -3.48 0.00 -1.29 -2.91 119.26 116.64 3imf h ALA 143 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3imf h ALA 143 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3imf h ALA 143 CO 0.00 0.12 -0.00 -2.67 0.00 0.00 0.00 179.25 176.70 3imf n TRP 144 N -4.08 0.84 -1.81 0.00 2.14 -1.24 -4.25 117.44 109.04 3imf n TRP 144 Ca -0.02 -0.96 0.00 0.00 2.07 0.00 0.00 57.50 58.59 3imf n TRP 144 Cb 0.18 -0.31 0.00 0.00 -0.81 0.00 0.00 31.31 30.37 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 -0.68 0.00 -4.87 -0.67 2.03 -1.10 -5.15 116.55 106.11 3imf n ASP 145 Ca 0.22 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.19 3imf n ASP 145 Cb 0.88 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.22 3imf n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3imf s ALA 146 N -1.51 3.70 -0.54 -1.67 0.00 -1.26 -4.94 121.76 115.53 3imf s ALA 146 Ca 0.00 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.66 3imf s ALA 146 Cb 0.00 -2.30 0.28 0.00 0.00 0.00 0.00 23.12 21.10 3imf s ALA 146 CO 0.00 0.56 0.73 0.41 0.00 0.00 0.00 175.76 177.46 3imf n GLY 147 N 0.58 4.38 3.67 0.00 0.00 -1.26 -4.77 105.19 107.78 3imf n GLY 147 Ca -0.05 -2.39 -0.45 0.00 0.00 0.00 0.00 46.02 43.13 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 0.73 2.13 0.00 1.61 -0.04 -1.26 -1.02 135.00 137.15 3imf n PRO 148 Ca 0.28 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 3imf n PRO 148 Cb 0.46 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 2.88 2.86 2.49 0.55 0.00 -1.26 -4.83 105.19 107.88 3imf n GLY 149 Ca 0.15 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 1.83 -0.18 1.61 0.24 -0.19 -0.41 118.33 119.23 3imf n VAL 150 Ca 0.00 -3.86 0.04 0.00 -2.04 0.00 0.00 64.34 58.48 3imf n VAL 150 Cb 0.00 -0.20 0.32 0.00 -1.47 0.00 0.00 33.84 32.49 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 3.23 1.09 -0.02 1.34 2.10 -1.83 0.70 117.51 124.12 3imf h ILE 151 Ca 0.12 -0.29 0.01 0.00 1.08 0.00 0.00 64.86 65.79 3imf h ILE 151 Cb 1.21 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 3imf h ILE 151 CO 0.60 0.15 -0.03 1.12 -1.08 0.00 0.00 178.15 178.91 3imf h HIS 152 N 0.84 -0.08 -0.35 2.19 2.07 -1.92 -0.88 115.15 117.02 3imf h HIS 152 Ca 0.29 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.66 3imf h HIS 152 Cb 0.11 0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 3imf h HIS 152 CO -0.00 -0.05 -0.38 1.03 -3.07 0.00 0.00 177.93 175.46 3imf h SER 153 N -0.05 0.89 -0.15 3.10 0.87 -1.62 -1.60 113.55 114.99 3imf h SER 153 Ca 0.02 -0.40 0.01 0.00 -1.23 0.00 0.00 61.79 60.19 3imf h SER 153 Cb 0.08 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3imf h SER 153 CO -0.05 1.17 0.07 0.00 -0.53 0.00 0.00 176.83 177.48 3imf h ALA 154 N 0.87 0.18 -0.14 6.23 0.00 -0.80 0.11 119.26 125.71 3imf h ALA 154 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3imf h ALA 154 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3imf h ALA 154 CO 0.09 -0.36 0.08 0.00 0.00 0.00 0.00 179.25 179.05 3imf h ALA 155 N 1.08 0.18 -0.15 0.00 0.00 -1.14 -0.75 119.26 118.48 3imf h ALA 155 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3imf h ALA 155 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3imf h ALA 155 CO -0.05 -0.29 0.09 0.00 0.00 0.00 0.00 179.25 179.00 3imf h ALA 156 N 0.98 0.19 0.00 0.00 0.00 -1.05 -1.14 119.26 118.24 3imf h ALA 156 Ca 0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3imf h ALA 156 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3imf h ALA 156 CO -0.01 -0.31 -0.52 0.87 0.00 0.00 0.00 179.25 179.28 3imf h LYS 157 N 0.17 0.00 -0.71 0.00 1.79 -0.77 -1.13 116.57 115.92 3imf h LYS 157 Ca 0.05 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 3imf h LYS 157 Cb 0.02 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 3imf h LYS 157 CO -0.01 0.52 0.18 0.00 -1.08 0.00 0.00 179.45 179.06 3imf h ALA 158 N 1.48 0.93 -0.75 3.86 0.00 -0.92 0.48 119.26 124.33 3imf h ALA 158 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3imf h ALA 158 Cb 0.96 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3imf h ALA 158 CO 0.07 0.65 0.46 0.78 0.00 0.00 0.00 179.25 181.21 3imf h GLY 159 N 1.07 1.09 1.01 0.00 0.00 -0.53 -1.57 103.07 104.15 3imf h GLY 159 Ca 0.22 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3imf h GLY 159 CO 0.00 0.43 0.15 -2.08 0.00 0.00 0.00 176.54 175.04 3imf h VAL 160 N 1.03 1.25 -0.70 4.60 2.07 -0.77 -2.71 116.25 121.02 3imf h VAL 160 Ca 0.27 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3imf h VAL 160 Cb -0.05 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3imf h VAL 160 CO -0.05 0.33 0.45 0.25 0.02 0.00 0.00 177.57 178.57 3imf h LEU 161 N 0.86 0.83 -1.83 2.57 5.85 -0.58 0.01 115.31 123.02 3imf h LEU 161 Ca 0.19 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3imf h LEU 161 Cb 0.34 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3imf h LEU 161 CO 0.00 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 178.73 3imf n ALA 162 N -2.31 1.62 0.00 1.25 0.00 -0.62 -2.13 120.51 118.33 3imf n ALA 162 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3imf n ALA 162 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.82 0.00 -0.20 0.00 -1.04 -0.01 -1.24 114.28 112.61 3imf n THR 164 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3imf n THR 164 Cb 0.09 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.61 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 1.03 -0.20 -2.82 1.57 -1.70 -0.49 116.57 113.96 3imf h LYS 165 Ca 0.00 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 3imf h LYS 165 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3imf h LYS 165 CO 0.00 1.03 0.05 1.15 -0.57 0.00 0.00 179.45 181.11 3imf h THR 166 N 0.91 1.20 -0.15 -0.16 2.02 -1.44 -2.43 112.91 112.87 3imf h THR 166 Ca 0.16 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 3imf h THR 166 Cb 0.59 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3imf h THR 166 CO 0.04 0.20 -0.30 -0.07 0.37 0.00 0.00 175.52 175.76 3imf h LEU 167 N 0.13 0.30 -1.08 2.58 3.38 -1.79 -1.12 115.31 117.70 3imf h LEU 167 Ca 0.06 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3imf h LEU 167 Cb 0.27 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3imf h LEU 167 CO 0.00 0.60 0.62 0.00 0.09 0.00 0.00 178.44 179.75 3imf h ALA 168 N 1.43 1.43 0.16 1.53 0.00 -0.80 0.24 119.26 123.25 3imf h ALA 168 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3imf h ALA 168 Cb 0.67 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3imf h ALA 168 CO 0.05 0.44 -0.08 0.28 0.00 0.00 0.00 179.25 179.95 3imf h VAL 169 N 1.14 0.47 0.27 0.00 2.07 -1.01 -2.37 116.25 116.82 3imf h VAL 169 Ca 0.40 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3imf h VAL 169 Cb 0.12 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3imf h VAL 169 CO -0.14 0.14 -0.18 -0.33 0.02 0.00 0.00 177.57 177.08 3imf h GLU 170 N -0.99 -0.43 0.00 1.57 5.08 -1.14 -2.26 114.58 116.42 3imf h GLU 170 Ca -0.02 0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3imf h GLU 170 Cb 0.39 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3imf h GLU 170 CO 0.04 -0.29 -1.11 -1.49 -1.00 0.00 0.00 179.01 175.16 3imf h TRP 171 N -0.44 0.00 -0.23 4.33 4.06 -1.13 -1.83 115.95 120.70 3imf h TRP 171 Ca -0.02 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 3imf h TRP 171 Cb 0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 3imf h TRP 171 CO -0.10 0.92 0.14 0.78 -3.56 0.00 0.00 178.44 176.62 3imf h GLY 172 N 3.20 0.33 0.52 1.49 0.00 -1.13 0.00 103.07 107.48 3imf h GLY 172 Ca -0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3imf h GLY 172 CO 0.11 0.13 -0.16 -0.09 0.00 0.00 0.00 176.54 176.52 3imf h ARG 173 N 0.29 0.17 0.02 4.80 2.43 -1.44 -1.52 114.38 119.14 3imf h ARG 173 Ca 0.08 -0.14 -0.23 0.00 -0.81 0.00 0.00 59.98 58.88 3imf h ARG 173 Cb 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3imf h ARG 173 CO -0.02 0.79 -0.97 -0.22 -1.51 0.00 0.00 179.97 178.04 3imf h LYS 174 N -0.40 0.37 0.00 0.20 3.64 -1.39 -3.39 116.57 115.60 3imf h LYS 174 Ca -0.01 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3imf h LYS 174 Cb 0.82 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3imf h LYS 174 CO 0.03 1.11 0.00 0.66 -2.27 0.00 0.00 179.45 178.98 3imf n TYR 175 N -3.71 0.00 -1.28 1.91 4.01 -0.16 -5.01 117.16 112.92 3imf n TYR 175 Ca -0.07 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.59 3imf n TYR 175 Cb 0.86 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.85 3imf n TYR 175 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3imf n GLY 176 N 0.23 0.96 3.72 2.72 0.00 -0.36 -4.71 105.19 107.74 3imf n GLY 176 Ca 0.00 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.31 5.03 -0.10 -0.61 1.01 -0.83 -4.59 121.20 118.80 3imf s ILE 177 Ca 0.00 1.51 -0.11 0.00 0.00 0.00 0.00 60.65 62.05 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 0.24 0.25 -0.13 0.00 0.00 0.00 174.94 175.31 3imf s ARG 178 N 0.82 3.85 -0.08 2.79 0.52 -0.81 -2.53 118.95 123.50 3imf s ARG 178 Ca 0.39 0.07 -0.00 0.00 -0.52 0.00 0.00 55.73 55.67 3imf s ARG 178 Cb -0.18 -3.28 0.02 0.00 0.52 0.00 0.00 34.95 32.03 3imf s ARG 178 CO 0.19 0.57 -0.05 0.08 0.02 0.00 0.00 175.30 176.12 3imf s VAL 179 N -0.54 0.75 0.20 3.52 1.01 -1.26 -0.46 120.40 123.61 3imf s VAL 179 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 3imf s VAL 179 Cb -0.13 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3imf s VAL 179 CO 0.06 0.31 0.13 0.20 0.00 0.00 0.00 175.10 175.80 3imf s ASN 180 N 1.54 0.16 0.11 3.32 0.01 -0.57 -0.24 114.94 119.28 3imf s ASN 180 Ca 0.00 -1.38 0.05 0.00 -0.71 0.00 0.00 52.86 50.81 3imf s ASN 180 Cb -0.13 0.38 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 3imf s ASN 180 CO -0.05 -0.84 -0.11 0.00 -1.51 0.00 0.00 177.10 174.60 3imf s ALA 181 N -4.15 1.30 -0.07 0.60 0.00 -0.05 -0.11 121.76 119.27 3imf s ALA 181 Ca 0.38 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 51.12 3imf s ALA 181 Cb 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 3imf s ALA 181 CO 0.12 0.00 -0.22 0.42 0.00 0.00 0.00 175.76 176.08 3imf s ILE 182 N -2.47 1.84 -0.39 0.00 1.01 -0.26 -4.16 121.20 116.76 3imf s ILE 182 Ca 0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 3imf s ILE 182 Cb -0.03 -1.58 0.11 0.00 0.01 0.00 0.00 42.46 40.97 3imf s ILE 182 CO 0.01 0.51 0.17 0.00 0.00 0.00 0.00 174.94 175.63 3imf s ALA 183 N 0.14 3.09 0.42 9.38 0.00 -1.26 -0.42 121.76 133.12 3imf s ALA 183 Ca -0.10 -2.55 -0.20 0.00 0.00 0.00 0.00 51.96 49.10 3imf s ALA 183 Cb -0.15 -2.30 -0.11 0.00 0.00 0.00 0.00 23.12 20.57 3imf s ALA 183 CO 0.05 -1.78 0.93 -1.25 0.00 0.00 0.00 175.76 173.72 3imf s PRO 184 N 1.05 4.20 0.00 0.00 0.05 -1.26 -4.37 135.00 134.67 3imf s PRO 184 Ca 0.09 1.07 0.00 0.00 0.05 0.00 0.00 61.00 62.21 3imf s PRO 184 Cb -0.22 -2.20 0.00 0.00 0.05 0.00 0.00 34.50 32.13 3imf s PRO 184 CO -0.05 -0.02 0.00 0.41 0.05 0.00 0.00 177.00 177.39 3imf n GLY 185 N -0.64 1.33 3.69 0.56 0.00 -1.26 -4.37 105.19 104.50 3imf n GLY 185 Ca 0.07 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 1.84 4.35 -0.08 1.61 0.04 -1.26 -4.93 135.00 136.58 3imf s PRO 186 Ca 0.00 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.84 3imf s PRO 186 Cb 0.00 -3.53 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 3imf s PRO 186 CO 0.00 -0.45 -0.23 0.42 0.04 0.00 0.00 177.00 176.78 3imf s ILE 187 N 2.09 1.98 0.47 0.56 -1.09 -1.26 -0.48 121.20 123.47 3imf s ILE 187 Ca 0.58 -1.00 -0.23 0.00 -2.23 0.00 0.00 60.65 57.77 3imf s ILE 187 Cb -0.27 -1.69 -0.08 0.00 -1.58 0.00 0.00 42.46 38.83 3imf s ILE 187 CO 0.24 0.55 1.16 -0.62 -1.23 0.00 0.00 174.94 175.04 3imf n GLU 188 N 3.26 1.56 -3.97 2.79 1.02 -0.31 -4.91 120.64 120.08 3imf n GLU 188 Ca -0.18 0.57 -0.28 0.00 -0.02 0.00 0.00 57.16 57.24 3imf n GLU 188 Cb 0.52 -2.28 -0.01 0.00 -0.02 0.00 0.00 31.44 29.66 3imf n GLU 188 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3imf n ARG 189 N -0.26 -3.89 0.13 3.49 1.74 -1.26 -4.34 116.66 112.26 3imf n ARG 189 Ca 0.09 0.46 -0.05 0.00 -0.77 0.00 0.00 57.85 57.58 3imf n ARG 189 Cb 0.41 -4.92 -0.02 0.00 -1.02 0.00 0.00 32.46 26.91 3imf n ARG 189 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3imf h ALA 203 N 0.88 -1.03 -0.28 7.54 0.00 -2.09 -3.44 119.26 120.84 3imf h ALA 203 Ca -0.61 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.06 3imf h ALA 203 Cb 1.37 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 3imf h ALA 203 CO 0.66 -1.00 0.21 1.63 0.00 0.00 0.00 179.25 180.74 3imf n LYS 204 N -2.97 1.40 0.16 0.00 5.02 -1.26 -4.19 118.16 116.32 3imf n LYS 204 Ca -0.04 -0.88 0.04 0.00 -2.02 0.00 0.00 58.31 55.41 3imf n LYS 204 Cb 0.13 -1.35 0.09 0.00 -0.02 0.00 0.00 35.03 33.89 3imf n LYS 204 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 3imf h ARG 205 N 0.64 0.00 0.00 1.97 -0.00 -2.05 -2.90 114.38 112.04 3imf h ARG 205 Ca 0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 60.08 3imf h ARG 205 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.28 3imf h ARG 205 CO 0.36 0.41 -0.44 1.79 -0.00 0.00 0.00 179.97 182.10 3imf h THR 206 N 0.00 0.57 -0.39 0.08 1.35 -1.99 -2.07 112.91 110.46 3imf h THR 206 Ca -0.00 -1.82 -0.13 0.00 -0.55 0.00 0.00 66.41 63.91 3imf h THR 206 Cb 1.27 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 69.93 3imf h THR 206 CO 0.05 0.32 -0.26 0.40 -0.25 0.00 0.00 175.52 175.79 3imf h ILE 207 N 0.00 1.28 -0.31 6.82 2.04 -1.84 -2.70 117.51 122.81 3imf h ILE 207 Ca -0.01 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.43 3imf h ILE 207 Cb 1.28 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3imf h ILE 207 CO 0.04 0.47 0.20 -0.61 0.00 0.00 0.00 178.15 178.25 3imf h GLN 208 N 0.67 0.41 0.00 2.37 4.15 -1.41 -2.06 115.11 119.23 3imf h GLN 208 Ca 0.08 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3imf h GLN 208 Cb 0.83 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3imf h GLN 208 CO 0.07 0.27 0.00 0.66 -1.93 0.00 0.00 178.83 177.91 3imf h SER 209 N 0.42 0.00 -3.60 -0.69 4.64 -1.04 -3.42 113.55 109.86 3imf h SER 209 Ca 0.11 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.81 3imf h SER 209 Cb -0.04 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.92 3imf h SER 209 CO -0.02 0.00 -0.03 -0.69 -0.87 0.00 0.00 176.83 175.21 3imf s VAL 210 N -3.48 5.07 0.27 0.95 1.01 -0.77 -4.56 120.40 118.89 3imf s VAL 210 Ca 0.03 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3imf s VAL 210 Cb 0.09 -3.84 0.25 0.00 0.00 0.00 0.00 36.38 32.89 3imf s VAL 210 CO 0.46 0.05 1.77 -0.65 0.00 0.00 0.00 175.10 176.74 3imf h PRO 211 N 8.09 0.66 0.00 2.72 0.11 -1.81 0.20 132.00 141.97 3imf h PRO 211 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3imf h PRO 211 Cb 1.14 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3imf h PRO 211 CO 0.72 0.44 0.00 1.28 -0.21 0.00 0.00 178.00 180.22 3imf n LEU 212 N -4.83 0.00 -1.10 2.35 4.77 -1.20 -4.89 117.00 112.09 3imf n LEU 212 Ca 0.18 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.34 3imf n LEU 212 Cb 0.44 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3imf n LEU 212 CO 0.22 -0.13 -0.13 0.61 -1.33 0.00 0.00 177.39 176.64 3imf n GLY 213 N 0.14 0.10 3.73 -0.72 0.00 0.70 -5.00 105.19 104.14 3imf n GLY 213 Ca 0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.30 1.37 0.53 1.61 1.70 -1.26 -4.91 118.95 113.69 3imf s ARG 214 Ca 0.00 -0.72 -0.15 0.00 -0.47 0.00 0.00 55.73 54.39 3imf s ARG 214 Cb 0.00 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 34.80 3imf s ARG 214 CO 0.00 -0.62 0.97 -0.51 -1.08 0.00 0.00 175.30 174.06 3imf s LEU 215 N -2.87 3.55 0.95 -1.89 1.43 -1.26 -4.92 118.68 113.67 3imf s LEU 215 Ca 0.10 1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 3imf s LEU 215 Cb -0.03 -4.44 0.19 0.00 0.03 0.00 0.00 46.19 41.94 3imf s LEU 215 CO 0.01 -0.63 1.31 -0.83 0.23 0.00 0.00 176.35 176.44 3imf s GLY 216 N -3.34 1.78 0.16 -3.19 0.00 0.37 -4.82 107.32 98.28 3imf s GLY 216 Ca 0.57 -1.22 0.08 0.00 0.00 0.00 0.00 44.72 44.15 3imf s GLY 216 CO 0.37 -0.46 -0.17 -0.51 0.00 0.00 0.00 173.10 172.32 3imf s THR 217 N -3.85 1.69 0.41 0.90 -4.23 -1.26 -1.16 115.64 108.14 3imf s THR 217 Ca 0.73 -1.88 0.27 0.00 -1.18 0.00 0.00 61.69 59.63 3imf s THR 217 Cb -0.04 -1.78 0.29 0.00 1.34 0.00 0.00 72.50 72.31 3imf s THR 217 CO 0.53 -0.35 2.07 -0.65 -0.54 0.00 0.00 174.62 175.67 3imf h PRO 218 N 3.29 0.00 -0.35 3.99 0.11 -1.94 -1.85 132.00 135.24 3imf h PRO 218 Ca -0.41 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.55 3imf h PRO 218 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3imf h PRO 218 CO 0.51 0.12 -0.35 0.93 -0.21 0.00 0.00 178.00 179.01 3imf h GLU 219 N 0.00 0.81 -0.41 1.05 3.07 -1.96 -0.54 114.58 116.59 3imf h GLU 219 Ca -0.00 -0.40 -0.05 0.00 -0.50 0.00 0.00 59.36 58.41 3imf h GLU 219 Cb 0.33 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3imf h GLU 219 CO 0.02 1.03 0.05 0.93 -1.40 0.00 0.00 179.01 179.63 3imf h GLU 220 N 0.67 0.70 -0.62 2.33 5.08 -1.84 -1.42 114.58 119.48 3imf h GLU 220 Ca 0.07 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3imf h GLU 220 Cb 0.90 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 3imf h GLU 220 CO 0.08 0.76 0.38 0.82 -1.00 0.00 0.00 179.01 180.04 3imf h ILE 221 N 0.55 1.18 -0.55 3.13 1.08 -1.23 -2.00 117.51 119.67 3imf h ILE 221 Ca 0.12 -0.39 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 3imf h ILE 221 Cb 0.41 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 3imf h ILE 221 CO 0.01 0.18 0.27 0.00 -0.69 0.00 0.00 178.15 177.93 3imf h ALA 222 N 1.19 1.45 -0.18 1.87 0.00 -0.94 -1.50 119.26 121.16 3imf h ALA 222 Ca 0.22 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3imf h ALA 222 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3imf h ALA 222 CO -0.04 0.44 -0.17 0.78 0.00 0.00 0.00 179.25 180.26 3imf h GLY 223 N 0.86 0.32 0.70 0.00 0.00 -0.59 0.00 103.07 104.35 3imf h GLY 223 Ca 0.19 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 3imf h GLY 223 CO -0.03 0.20 -0.25 -2.00 0.00 0.00 0.00 176.54 174.46 3imf h LEU 224 N 0.27 0.39 -1.04 3.11 5.85 -0.62 -1.57 115.31 121.70 3imf h LEU 224 Ca 0.05 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 3imf h LEU 224 Cb 0.47 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3imf h LEU 224 CO 0.03 0.91 0.47 0.00 -0.34 0.00 0.00 178.44 179.51 3imf h ALA 225 N 0.49 1.27 -0.12 1.25 0.00 -1.15 -0.19 119.26 120.82 3imf h ALA 225 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3imf h ALA 225 Cb 0.86 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3imf h ALA 225 CO 0.05 0.60 0.03 -0.92 0.00 0.00 0.00 179.25 179.02 3imf h TYR 226 N 1.15 0.19 -0.48 0.00 3.20 -0.95 -2.04 116.97 118.04 3imf h TYR 226 Ca 0.29 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.19 3imf h TYR 226 Cb -0.00 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 3imf h TYR 226 CO 0.01 0.35 0.22 -0.92 -1.64 0.00 0.00 178.16 176.17 3imf h TYR 227 N -0.02 0.40 -0.16 -3.82 3.20 -0.87 -1.86 116.97 113.85 3imf h TYR 227 Ca 0.04 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.97 3imf h TYR 227 Cb 0.25 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3imf h TYR 227 CO 0.01 0.18 0.12 -0.07 -1.64 0.00 0.00 178.16 176.76 3imf h LEU 228 N 0.43 0.00 -0.42 2.82 3.38 -0.80 -1.22 115.31 119.51 3imf h LEU 228 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3imf h LEU 228 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3imf h LEU 228 CO -0.17 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.11 3imf s SER 230 N -2.53 6.09 0.34 0.00 1.04 -0.46 -4.95 113.70 113.24 3imf s SER 230 Ca 0.24 1.47 0.04 0.00 0.48 0.00 0.00 55.95 58.19 3imf s SER 230 Cb 0.19 -2.48 0.67 0.00 0.10 0.00 0.00 66.02 64.51 3imf s SER 230 CO 0.52 -0.96 1.95 0.44 0.98 0.00 0.00 173.24 176.17 3imf h ASP 231 N -0.29 0.74 -0.17 7.02 3.32 -1.92 -1.26 116.42 123.85 3imf h ASP 231 Ca -0.44 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.66 3imf h ASP 231 Cb 1.19 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3imf h ASP 231 CO 0.61 0.48 0.18 -0.33 -1.72 0.00 0.00 179.24 178.46 3imf h GLU 232 N 0.84 0.00 -0.63 3.56 5.08 -1.92 -1.92 114.58 119.60 3imf h GLU 232 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3imf h GLU 232 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3imf h GLU 232 CO -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.90 3imf n ALA 233 N -2.37 3.48 0.25 3.43 0.00 -0.48 -4.61 120.51 120.22 3imf n ALA 233 Ca 0.01 -1.73 0.15 0.00 0.00 0.00 0.00 53.44 51.88 3imf n ALA 233 Cb 0.30 -1.08 0.76 0.00 0.00 0.00 0.00 19.45 19.44 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 4.08 1.00 -0.20 0.00 0.00 -1.39 -2.09 119.26 120.66 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 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3imf h ALA 234 CO 0.36 0.00 0.00 0.98 0.00 0.00 0.00 179.25 180.59 3imf n TYR 235 N -2.55 0.24 -2.99 0.00 9.36 -1.26 -4.86 117.16 115.10 3imf n TYR 235 Ca -0.01 -0.12 -0.41 0.00 3.32 0.00 0.00 57.90 60.67 3imf n TYR 235 Cb 0.09 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.75 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 -1.76 4.90 -0.23 2.97 1.01 -0.79 -5.02 121.20 122.29 3imf s ILE 236 Ca 0.34 1.38 -0.16 0.00 0.00 0.00 0.00 60.65 62.21 3imf s ILE 236 Cb 0.21 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.72 3imf s ILE 236 CO 0.31 -0.03 0.58 0.21 0.00 0.00 0.00 174.94 176.01 3imf s ASN 237 N 1.39 -0.73 -0.54 3.58 2.47 -1.26 -4.78 114.94 115.07 3imf s ASN 237 Ca 0.31 1.24 0.00 0.00 0.42 0.00 0.00 52.86 54.83 3imf s ASN 237 Cb -0.15 1.16 0.00 0.00 -1.45 0.00 0.00 41.25 40.81 3imf s ASN 237 CO 0.08 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.85 3imf n GLY 238 N 3.82 0.49 3.79 1.21 0.00 0.67 -4.99 105.19 110.19 3imf n GLY 238 Ca -0.19 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 3imf n GLY 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3imf s THR 239 N -2.24 3.28 0.00 2.61 -4.23 -1.26 -4.71 115.64 109.08 3imf s THR 239 Ca 0.00 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3imf s THR 239 Cb 0.00 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.76 3imf s THR 239 CO 0.00 -0.18 0.00 0.00 -0.54 0.00 0.00 174.62 173.90 3imf n THR 242 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.91 114.28 105.87 3imf n THR 242 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3imf n THR 242 Cb 0.00 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3imf n THR 242 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3imf n ASP 244 N -0.85 0.00 0.00 3.42 5.75 -1.26 -4.94 116.55 118.66 3imf n ASP 244 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 3imf n ASP 244 Cb 0.10 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.08 0.09 6.12 0.00 -1.26 -1.48 105.19 108.74 3imf n GLY 245 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.03 0.78 0.30 -0.02 0.00 -1.26 -3.22 105.19 101.74 3imf n GLY 246 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.34 0.81 0.00 1.61 4.15 -1.50 -2.64 115.11 121.88 3imf h GLN 247 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3imf h GLN 247 Cb 0.00 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.51 3imf h GLN 247 CO 0.00 0.54 0.00 -2.39 -1.93 0.00 0.00 178.83 175.05 3imf n HIS 248 N -4.70 0.81 -1.69 3.99 1.44 -1.26 -4.78 115.22 109.03 3imf n HIS 248 Ca 0.11 0.33 -0.31 0.00 -2.01 0.00 0.00 57.72 55.84 3imf n HIS 248 Cb 0.19 -1.03 0.04 0.00 0.12 0.00 0.00 29.99 29.31 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 -4.50 3.11 0.19 2.39 1.43 -0.99 -4.98 118.68 115.32 3imf s LEU 249 Ca 0.04 1.49 -0.31 0.00 -1.03 0.00 0.00 54.13 54.32 3imf s LEU 249 Cb 0.09 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.81 3imf s LEU 249 CO 0.38 -1.28 1.51 -1.00 0.23 0.00 0.00 176.35 176.19 3imf s HIS 250 N -3.12 3.07 -0.49 0.29 3.76 -1.26 -4.91 115.29 112.63 3imf s HIS 250 Ca 0.57 0.78 0.23 0.00 -0.15 0.00 0.00 55.06 56.49 3imf s HIS 250 Cb -0.13 -3.87 -0.02 0.00 1.11 0.00 0.00 32.58 29.68 3imf s HIS 250 CO 0.54 -3.08 0.96 1.04 -0.85 0.00 0.00 174.74 173.35 3imf n GLN 251 N 3.45 0.38 -4.13 1.40 1.13 -1.26 -4.95 117.38 113.39 3imf n GLN 251 Ca 0.11 -0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 55.06 3imf n GLN 251 Cb 0.39 -1.62 -0.10 0.00 0.11 0.00 0.00 30.24 29.02 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 0.77 -2.22 1.08 2.02 -1.26 -5.19 117.35 109.29 3imf s TYR 252 Ca 0.02 -0.88 0.30 0.00 -0.37 0.00 0.00 57.07 56.14 3imf s TYR 252 Cb 0.14 -0.47 1.53 0.00 -0.40 0.00 0.00 41.96 42.76 3imf s TYR 252 CO 0.82 -0.18 2.02 -0.35 -1.57 0.00 0.00 175.55 176.28