#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imf n ALA 0 N 0.00 0.00 0.00 5.20 0.00 -1.26 -4.97 120.51 119.48 3imf n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3imf n ALA 0 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3imf n ALA 0 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3imf n LYS 2 N 0.00 0.00 -0.04 0.00 4.81 -1.26 -3.26 118.16 118.41 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 -0.29 0.22 0.00 0.02 0.00 0.00 35.03 34.98 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 -0.05 2.20 -3.46 1.64 1.02 -1.26 -4.61 120.64 116.13 3imf n GLU 3 Ca 0.00 -1.76 -0.27 0.00 -0.02 0.00 0.00 57.16 55.11 3imf n GLU 3 Cb 0.00 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.89 3.56 -0.16 3.49 1.02 -1.20 -4.93 119.74 119.62 3imf s LYS 4 Ca 0.32 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 56.13 3imf s LYS 4 Cb 0.21 -2.71 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 3imf s LYS 4 CO 0.31 0.25 -0.19 0.08 -0.92 0.00 0.00 175.35 174.89 3imf s VAL 5 N -2.08 2.30 -0.12 3.17 1.01 -1.26 -1.15 120.40 122.27 3imf s VAL 5 Ca 0.41 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3imf s VAL 5 Cb -0.10 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3imf s VAL 5 CO 0.31 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 175.04 3imf s VAL 6 N 0.99 2.23 -0.18 2.92 1.01 -0.13 -0.58 120.40 126.67 3imf s VAL 6 Ca -0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 3imf s VAL 6 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3imf s VAL 6 CO -0.05 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.01 3imf s ILE 7 N 0.53 4.52 -0.22 2.22 1.01 0.49 -0.14 121.20 129.61 3imf s ILE 7 Ca -0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 3imf s ILE 7 Cb -0.17 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.33 3imf s ILE 7 CO 0.04 0.47 -0.04 -0.63 0.00 0.00 0.00 174.94 174.78 3imf s ILE 8 N 0.41 1.31 0.40 2.92 1.01 -0.05 0.14 121.20 127.34 3imf s ILE 8 Ca 0.01 -1.03 -0.23 0.00 0.00 0.00 0.00 60.65 59.40 3imf s ILE 8 Cb -0.13 -1.60 -0.10 0.00 0.01 0.00 0.00 42.46 40.64 3imf s ILE 8 CO 0.01 -0.08 1.00 0.42 0.00 0.00 0.00 174.94 176.29 3imf s THR 9 N 1.50 4.03 -1.29 2.92 -4.23 -0.75 -2.24 115.64 115.58 3imf s THR 9 Ca -0.04 1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 61.90 3imf s THR 9 Cb -0.18 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.95 3imf s THR 9 CO -0.07 -0.07 0.53 0.61 -0.54 0.00 0.00 174.62 175.07 3imf n GLY 10 N 0.07 -0.31 0.34 3.99 0.00 -0.91 -2.37 105.19 105.99 3imf n GLY 10 Ca 0.05 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.41 -0.20 0.00 -0.02 0.00 -0.81 -4.05 105.19 98.70 3imf n GLY 11 Ca -0.09 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.09 0.50 -3.99 1.61 3.41 -1.26 -3.29 113.62 110.51 3imf n SER 12 Ca 0.13 -0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.43 3imf n SER 12 Cb 0.21 0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 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 -3.05 -0.09 0.00 4.04 1.04 -1.26 -4.61 113.70 109.77 3imf s SER 13 Ca 0.11 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.62 3imf s SER 13 Cb 0.17 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3imf s SER 13 CO 0.70 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3imf n GLY 14 N -0.37 -0.12 3.06 7.32 0.00 -1.26 -2.54 105.19 111.27 3imf n GLY 14 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.87 105.19 102.22 3imf n GLY 16 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.33 -0.67 1.61 3.11 -1.48 -0.11 116.57 119.36 3imf h LYS 17 Ca 0.00 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 3imf h LYS 17 Cb 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 3imf h LYS 17 CO 0.00 0.85 0.00 0.41 -2.81 0.00 0.00 179.45 177.90 3imf n GLY 18 N 0.34 0.31 2.02 5.01 0.00 -0.78 -0.67 105.19 111.43 3imf n GLY 18 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.55 0.00 -0.18 4.61 0.00 -0.06 -2.51 120.51 122.92 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 0.06 0.00 0.02 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 1.19 -0.09 0.00 2.02 -1.16 -1.40 112.91 113.47 3imf h THR 21 Ca 0.00 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3imf h THR 21 Cb 0.00 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3imf h THR 21 CO 0.00 0.21 -0.01 -0.09 0.37 0.00 0.00 175.52 176.00 3imf h ARG 22 N 0.69 0.17 -0.76 6.66 9.65 -1.76 -0.82 114.38 128.22 3imf h ARG 22 Ca 0.18 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 3imf h ARG 22 Cb 0.09 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 3imf h ARG 22 CO -0.03 0.44 0.30 0.74 2.80 0.00 0.00 179.97 184.23 3imf h PHE 23 N -0.12 1.14 -0.39 2.20 0.04 -1.84 -1.42 116.94 116.54 3imf h PHE 23 Ca 0.03 -0.08 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 3imf h PHE 23 Cb 0.37 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3imf h PHE 23 CO 0.04 0.86 -0.14 0.00 -0.60 0.00 0.00 178.31 178.47 3imf h ALA 24 N 1.23 1.02 0.00 2.45 0.00 -1.22 -1.93 119.26 120.82 3imf h ALA 24 Ca 0.25 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3imf h ALA 24 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3imf h ALA 24 CO -0.02 0.59 -0.31 -0.22 0.00 0.00 0.00 179.25 179.29 3imf h LYS 25 N 0.64 0.00 -0.08 0.00 3.64 -0.43 -1.47 116.57 118.87 3imf h LYS 25 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3imf h LYS 25 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3imf h LYS 25 CO 0.04 0.31 0.00 0.39 -2.27 0.00 0.00 179.45 177.92 3imf n GLU 26 N -3.82 1.53 -0.30 1.90 -0.58 -0.60 -4.94 120.64 113.84 3imf n GLU 26 Ca -0.01 -0.78 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 3imf n GLU 26 Cb 0.39 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 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 1.08 0.69 3.81 0.62 0.00 -0.55 -4.20 105.19 106.63 3imf n GLY 27 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.47 2.69 0.06 4.61 0.00 -0.76 -4.44 121.76 121.44 3imf s ALA 28 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 3imf s ALA 28 Cb 0.00 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 3imf s ALA 28 CO 0.00 -1.02 0.79 1.03 0.00 0.00 0.00 175.76 176.56 3imf s ARG 29 N -4.49 4.52 -0.06 0.00 0.52 -0.30 -4.43 118.95 114.70 3imf s ARG 29 Ca 0.61 1.11 0.03 0.00 -0.52 0.00 0.00 55.73 56.96 3imf s ARG 29 Cb -0.15 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.96 3imf s ARG 29 CO 0.45 0.28 -0.14 0.08 0.02 0.00 0.00 175.30 175.99 3imf s VAL 30 N -0.08 1.26 -0.25 3.52 1.01 -0.84 -0.95 120.40 124.07 3imf s VAL 30 Ca 0.39 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 3imf s VAL 30 Cb -0.21 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3imf s VAL 30 CO 0.24 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 175.07 3imf s VAL 31 N 0.48 4.04 -0.08 2.92 1.01 0.80 -1.06 120.40 128.51 3imf s VAL 31 Ca -0.12 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3imf s VAL 31 Cb -0.15 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3imf s VAL 31 CO 0.04 0.34 -0.10 0.27 0.00 0.00 0.00 175.10 175.65 3imf s ILE 32 N 1.57 3.42 0.20 2.22 -4.36 -0.49 -0.87 121.20 122.89 3imf s ILE 32 Ca 0.06 -0.57 0.09 0.00 -0.26 0.00 0.00 60.65 59.97 3imf s ILE 32 Cb -0.15 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 3imf s ILE 32 CO 0.02 0.57 -0.06 0.42 0.24 0.00 0.00 174.94 176.13 3imf s THR 33 N -0.47 3.34 -0.02 8.37 -4.23 -0.95 -0.95 115.64 120.73 3imf s THR 33 Ca 0.07 -1.69 -0.30 0.00 -1.18 0.00 0.00 61.69 58.58 3imf s THR 33 Cb -0.12 -2.70 0.12 0.00 1.34 0.00 0.00 72.50 71.15 3imf s THR 33 CO 0.02 -0.18 1.28 -0.83 -0.54 0.00 0.00 174.62 174.37 3imf s GLY 34 N -3.07 -0.41 0.00 3.99 0.00 -0.83 -1.92 107.32 105.07 3imf s GLY 34 Ca 0.27 0.70 0.23 0.00 0.00 0.00 0.00 44.72 45.92 3imf s GLY 34 CO 0.17 0.12 1.15 0.54 0.00 0.00 0.00 173.10 175.08 3imf n ARG 35 N -0.48 0.62 -4.11 2.90 1.74 -1.26 -4.10 116.66 111.96 3imf n ARG 35 Ca -0.08 -0.48 -0.31 0.00 -0.77 0.00 0.00 57.85 56.21 3imf n ARG 35 Cb 0.63 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.41 3imf n ARG 35 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3imf s THR 36 N -2.71 1.67 0.17 0.55 2.01 -1.26 -5.03 115.64 111.05 3imf s THR 36 Ca 0.15 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 3imf s THR 36 Cb 0.18 -1.55 0.08 0.00 0.01 0.00 0.00 72.50 71.21 3imf s THR 36 CO 0.67 0.48 1.73 0.50 -0.69 0.00 0.00 174.62 177.31 3imf h LYS 37 N 7.94 0.26 -0.41 4.92 3.64 -1.99 -2.55 116.57 128.37 3imf h LYS 37 Ca -0.39 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3imf h LYS 37 Cb 1.14 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3imf h LYS 37 CO 0.55 0.17 0.18 0.93 -2.27 0.00 0.00 179.45 179.01 3imf h GLU 38 N 0.26 0.60 -0.46 1.90 4.39 -1.99 -1.44 114.58 117.85 3imf h GLU 38 Ca 0.22 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3imf h GLU 38 Cb 0.25 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3imf h GLU 38 CO -0.26 0.55 0.28 0.87 -1.16 0.00 0.00 179.01 179.29 3imf h LYS 39 N 0.52 0.63 -0.58 2.33 1.57 -1.92 -1.66 116.57 117.47 3imf h LYS 39 Ca 0.14 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3imf h LYS 39 Cb 0.16 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 3imf h LYS 39 CO -0.01 0.46 0.30 -0.07 -0.57 0.00 0.00 179.45 179.56 3imf h LEU 40 N 0.62 0.45 -0.71 2.94 3.38 -1.21 -0.82 115.31 119.94 3imf h LEU 40 Ca 0.17 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 3imf h LEU 40 Cb -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3imf h LEU 40 CO -0.03 0.30 -0.24 -0.33 0.09 0.00 0.00 178.44 178.23 3imf h GLU 41 N 0.58 0.73 -0.10 1.13 4.39 -1.02 -1.47 114.58 118.83 3imf h GLU 41 Ca 0.25 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3imf h GLU 41 Cb 0.15 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3imf h GLU 41 CO -0.17 0.90 0.04 1.49 -1.16 0.00 0.00 179.01 180.12 3imf h GLU 42 N 0.64 0.14 -0.76 2.33 4.81 -0.93 -1.96 114.58 118.84 3imf h GLU 42 Ca 0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3imf h GLU 42 Cb 0.74 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 3imf h GLU 42 CO 0.06 0.23 0.41 0.00 -0.73 0.00 0.00 179.01 178.98 3imf h ALA 43 N 0.90 0.98 0.34 2.92 0.00 -1.05 -2.06 119.26 121.29 3imf h ALA 43 Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3imf h ALA 43 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3imf h ALA 43 CO -0.00 0.50 -0.29 -0.22 0.00 0.00 0.00 179.25 179.24 3imf h LYS 44 N 1.06 -0.62 -1.00 0.00 3.64 -1.14 -0.59 116.57 117.92 3imf h LYS 44 Ca 0.27 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.83 3imf h LYS 44 Cb 0.05 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.92 3imf h LYS 44 CO -0.04 -0.41 0.62 -0.07 -2.27 0.00 0.00 179.45 177.28 3imf h LEU 45 N -0.64 0.88 -0.66 5.20 3.38 -1.17 -0.30 115.31 121.99 3imf h LEU 45 Ca -0.02 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3imf h LEU 45 Cb 0.57 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3imf h LEU 45 CO -0.03 0.43 -0.35 -0.08 0.09 0.00 0.00 178.44 178.50 3imf h GLU 46 N 0.92 0.65 0.00 1.13 4.81 -0.91 -3.36 114.58 117.82 3imf h GLU 46 Ca 0.52 -0.31 -0.22 0.00 -0.13 0.00 0.00 59.36 59.22 3imf h GLU 46 Cb 0.60 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3imf h GLU 46 CO -0.30 0.90 -2.03 -0.89 -0.73 0.00 0.00 179.01 175.97 3imf n ILE 47 N -4.06 0.98 -2.04 2.32 -0.00 -0.27 -4.99 119.36 111.30 3imf n ILE 47 Ca -0.01 -0.72 -0.42 0.00 -0.00 0.00 0.00 62.75 61.60 3imf n ILE 47 Cb 0.49 -0.42 -0.03 0.00 -0.00 0.00 0.00 39.64 39.68 3imf n ILE 47 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 3imf s GLU 48 N -2.87 4.26 -0.06 0.38 2.12 -0.18 -4.76 118.70 117.58 3imf s GLU 48 Ca -0.08 2.22 0.17 0.00 0.36 0.00 0.00 54.97 57.65 3imf s GLU 48 Cb 0.09 -3.25 -0.22 0.00 0.26 0.00 0.00 34.13 31.01 3imf s GLU 48 CO 0.85 -0.55 0.49 1.04 -0.54 0.00 0.00 175.26 176.55 3imf n GLN 49 N 4.18 0.65 -3.77 4.30 1.13 -1.26 -4.98 117.38 117.63 3imf n GLN 49 Ca 0.13 0.11 -0.10 0.00 -1.94 0.00 0.00 57.00 55.19 3imf n GLN 49 Cb 0.40 -1.67 -0.07 0.00 0.11 0.00 0.00 30.24 29.02 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 -2.79 -0.01 0.28 1.08 -0.71 -1.26 -5.11 117.98 109.46 3imf s PHE 50 Ca -0.06 -0.29 -0.30 0.00 -1.04 0.00 0.00 56.93 55.23 3imf s PHE 50 Cb 0.08 0.06 -0.12 0.00 -1.21 0.00 0.00 43.02 41.84 3imf s PHE 50 CO 0.83 -0.56 1.60 -2.30 -1.34 0.00 0.00 175.22 173.45 3imf n PRO 51 N 0.14 2.66 -0.94 1.99 -0.02 -1.26 -2.21 135.00 135.36 3imf n PRO 51 Ca -0.17 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3imf n PRO 51 Cb 0.62 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 2.38 0.80 0.20 -1.23 0.00 -1.26 -4.91 105.19 101.17 3imf n GLY 52 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 2.38 0.54 -5.56 1.61 4.15 -1.83 -3.43 115.11 112.96 3imf h GLN 53 Ca 0.00 -0.41 -0.65 0.00 0.77 0.00 0.00 58.65 58.36 3imf h GLN 53 Cb 0.00 0.07 -0.18 0.00 0.21 0.00 0.00 27.48 27.58 3imf h GLN 53 CO 0.00 1.03 -0.63 0.42 -1.93 0.00 0.00 178.83 177.72 3imf s ILE 54 N -3.77 4.19 -0.22 2.39 -1.09 -1.26 -1.99 121.20 119.46 3imf s ILE 54 Ca -0.07 -0.27 -0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3imf s ILE 54 Cb 0.10 -2.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.18 3imf s ILE 54 CO 0.85 0.53 -0.09 -0.22 -1.23 0.00 0.00 174.94 174.78 3imf s LEU 55 N -0.12 2.77 -0.04 2.97 2.96 -0.22 -4.99 118.68 122.02 3imf s LEU 55 Ca 0.04 -0.62 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 3imf s LEU 55 Cb -0.13 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 3imf s LEU 55 CO 0.02 -0.05 0.36 0.42 -1.32 0.00 0.00 176.35 175.79 3imf s THR 56 N 1.38 5.13 -0.13 3.68 -4.23 -1.26 -1.40 115.64 118.80 3imf s THR 56 Ca 0.04 0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 61.27 3imf s THR 56 Cb -0.15 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.06 3imf s THR 56 CO -0.06 0.55 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.84 3imf s VAL 57 N -0.82 0.89 -0.20 2.29 1.01 -0.13 -4.96 120.40 118.48 3imf s VAL 57 Ca 0.22 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 3imf s VAL 57 Cb -0.16 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3imf s VAL 57 CO 0.11 0.21 0.76 -1.58 0.00 0.00 0.00 175.10 174.60 3imf s GLN 58 N 1.74 4.23 -0.09 2.72 0.74 -1.26 -1.97 119.66 125.78 3imf s GLN 58 Ca 0.03 0.85 -0.02 0.00 0.05 0.00 0.00 55.36 56.27 3imf s GLN 58 Cb -0.14 -3.60 0.03 0.00 1.10 0.00 0.00 33.01 30.41 3imf s GLN 58 CO -0.07 -0.36 0.02 0.34 -0.55 0.00 0.00 175.29 174.66 3imf s ASP 60 N 1.24 1.80 0.28 6.67 2.15 -1.26 -4.96 116.67 122.59 3imf s ASP 60 Ca 0.34 -0.21 0.20 0.00 0.43 0.00 0.00 52.55 53.31 3imf s ASP 60 Cb -0.16 -0.43 1.04 0.00 -0.30 0.00 0.00 42.92 43.07 3imf s ASP 60 CO 0.10 -0.22 1.62 1.33 -0.17 0.00 0.00 175.17 177.82 3imf n VAL 61 N 5.15 1.08 1.15 1.11 0.24 -1.26 -1.30 118.33 124.50 3imf n VAL 61 Ca -0.07 0.62 0.14 0.00 -2.04 0.00 0.00 64.34 62.98 3imf n VAL 61 Cb 0.50 -1.60 0.55 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.18 0.23 -3.62 7.34 1.74 -1.26 -4.36 116.66 114.54 3imf n ARG 62 Ca -0.01 -0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 3imf n ARG 62 Cb 0.07 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.82 5.66 0.52 0.55 3.84 -0.42 -4.97 114.94 117.30 3imf s ASN 63 Ca 0.19 -1.09 0.28 0.00 0.21 0.00 0.00 52.86 52.45 3imf s ASN 63 Cb 0.19 -1.99 1.42 0.00 -0.55 0.00 0.00 41.25 40.31 3imf s ASN 63 CO 0.54 -0.40 2.05 0.71 -2.79 0.00 0.00 177.10 177.22 3imf h THR 64 N 5.95 0.53 -0.23 -5.21 1.35 -1.85 -2.03 112.91 111.42 3imf h THR 64 Ca -0.25 -0.58 -0.13 0.00 -0.55 0.00 0.00 66.41 64.90 3imf h THR 64 Cb 1.10 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3imf h THR 64 CO 0.67 0.12 -0.38 0.44 -0.25 0.00 0.00 175.52 176.12 3imf h ASP 65 N 0.00 0.72 -0.91 5.36 3.32 -1.94 -1.59 116.42 121.39 3imf h ASP 65 Ca -0.00 -0.53 0.04 0.00 0.02 0.00 0.00 57.03 56.56 3imf h ASP 65 Cb 0.38 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3imf h ASP 65 CO 0.02 1.11 0.59 0.44 -1.72 0.00 0.00 179.24 179.67 3imf h ASP 66 N 0.36 0.97 -0.13 6.45 3.32 -1.70 -0.83 116.42 124.86 3imf h ASP 66 Ca 0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3imf h ASP 66 Cb 0.97 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 3imf h ASP 66 CO 0.09 0.66 0.02 0.40 -1.72 0.00 0.00 179.24 178.69 3imf h ILE 67 N 1.13 1.21 -0.77 0.35 2.04 -1.27 -3.05 117.51 117.15 3imf h ILE 67 Ca 0.36 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3imf h ILE 67 Cb 0.02 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3imf h ILE 67 CO -0.12 0.19 0.37 -0.61 0.00 0.00 0.00 178.15 177.98 3imf h GLN 68 N -0.01 1.10 -1.71 2.37 5.75 -1.04 -1.85 115.11 119.72 3imf h GLN 68 Ca 0.04 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3imf h GLN 68 Cb 0.28 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3imf h GLN 68 CO 0.00 0.86 0.00 1.63 -2.65 0.00 0.00 178.83 178.67 3imf n LYS 69 N -4.38 0.12 0.00 1.69 5.02 -0.34 -1.60 118.16 118.67 3imf n LYS 69 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3imf n LYS 69 Cb 0.13 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.89 0.00 -0.12 -0.18 5.41 -0.70 -1.32 119.36 123.34 3imf n ILE 71 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3imf n ILE 71 Cb 0.06 0.00 0.00 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 0.48 -0.39 0.38 5.08 -1.58 -0.10 114.58 118.45 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 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3imf h GLU 72 CO 0.00 0.32 0.21 0.37 -1.00 0.00 0.00 179.01 178.91 3imf h GLN 73 N 0.49 0.55 -0.28 2.33 4.15 -1.47 -0.52 115.11 120.36 3imf h GLN 73 Ca 0.15 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 3imf h GLN 73 Cb -0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3imf h GLN 73 CO -0.05 0.45 -0.03 0.82 -1.93 0.00 0.00 178.83 178.09 3imf h ILE 74 N 0.50 1.27 -0.94 2.39 2.04 -1.78 -0.32 117.51 120.67 3imf h ILE 74 Ca 0.14 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.00 3imf h ILE 74 Cb 0.06 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3imf h ILE 74 CO -0.02 0.32 0.59 -0.78 0.00 0.00 0.00 178.15 178.26 3imf h ASP 75 N 0.28 1.11 -0.32 1.72 1.82 -0.91 0.63 116.42 120.74 3imf h ASP 75 Ca 0.08 -0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.52 3imf h ASP 75 Cb 0.48 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.21 3imf h ASP 75 CO 0.02 0.83 -0.36 -0.08 -1.61 0.00 0.00 179.24 178.04 3imf h GLU 76 N 1.29 0.81 0.02 0.28 4.81 -0.85 0.19 114.58 121.13 3imf h GLU 76 Ca 0.34 -0.44 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 3imf h GLU 76 Cb -0.10 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3imf h GLU 76 CO -0.07 1.07 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.88 3imf h LYS 77 N 0.58 0.09 0.00 1.92 3.64 -0.63 -3.40 116.57 118.77 3imf h LYS 77 Ca 0.05 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3imf h LYS 77 Cb 0.95 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3imf h LYS 77 CO 0.09 0.98 -1.77 1.19 -2.27 0.00 0.00 179.45 177.67 3imf n PHE 78 N -4.52 0.00 -0.92 1.91 3.72 0.22 -5.01 117.46 112.85 3imf n PHE 78 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3imf n PHE 78 Cb 0.52 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.55 0.56 3.58 1.37 0.00 0.67 -4.96 105.19 107.96 3imf n GLY 79 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.40 1.09 -0.09 1.61 1.70 -1.26 -4.97 118.95 116.62 3imf s ARG 80 Ca 0.00 -0.48 -0.04 0.00 -0.47 0.00 0.00 55.73 54.74 3imf s ARG 80 Cb 0.00 0.45 0.05 0.00 -0.57 0.00 0.00 34.95 34.87 3imf s ARG 80 CO 0.00 -0.48 0.19 0.42 -1.08 0.00 0.00 175.30 174.35 3imf s ILE 81 N -3.36 -0.17 -0.13 4.99 1.01 -1.26 -4.74 121.20 117.54 3imf s ILE 81 Ca 0.06 0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.99 3imf s ILE 81 Cb -0.01 -0.32 -0.10 0.00 0.01 0.00 0.00 42.46 42.03 3imf s ILE 81 CO -0.06 0.10 -0.08 0.47 0.00 0.00 0.00 174.94 175.38 3imf n ASP 82 N 4.72 2.72 -3.90 3.58 9.92 0.26 -4.93 116.55 128.92 3imf n ASP 82 Ca -0.17 -0.05 -0.15 0.00 -0.53 0.00 0.00 54.79 53.89 3imf n ASP 82 Cb 0.51 0.07 -0.15 0.00 -0.64 0.00 0.00 41.12 40.91 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 -2.28 0.25 -0.15 0.53 1.01 -0.77 -2.16 121.20 117.64 3imf s ILE 83 Ca -0.15 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3imf s ILE 83 Cb 0.04 -0.25 0.02 0.00 0.01 0.00 0.00 42.46 42.28 3imf s ILE 83 CO 0.36 0.10 -0.18 -0.22 0.00 0.00 0.00 174.94 175.00 3imf s LEU 84 N 0.22 1.90 -0.32 2.97 2.96 -0.48 -0.38 118.68 125.54 3imf s LEU 84 Ca -0.02 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 3imf s LEU 84 Cb -0.05 -1.30 0.04 0.00 0.50 0.00 0.00 46.19 45.39 3imf s LEU 84 CO -0.01 0.00 0.06 -0.63 -1.32 0.00 0.00 176.35 174.46 3imf s ILE 85 N 1.19 3.48 -0.70 6.68 1.01 0.12 -1.19 121.20 131.79 3imf s ILE 85 Ca 0.00 -1.20 -0.24 0.00 0.00 0.00 0.00 60.65 59.21 3imf s ILE 85 Cb -0.14 -2.97 0.06 0.00 0.01 0.00 0.00 42.46 39.42 3imf s ILE 85 CO -0.08 -0.13 1.08 0.20 0.00 0.00 0.00 174.94 176.01 3imf s ASN 86 N 1.35 6.20 -0.01 3.58 0.01 -0.35 -1.81 114.94 123.90 3imf s ASN 86 Ca -0.03 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.24 3imf s ASN 86 Cb -0.19 -2.46 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 3imf s ASN 86 CO 0.01 -1.55 -0.01 -3.20 -1.51 0.00 0.00 177.10 170.84 3imf n ASN 87 N 8.20 4.15 -3.69 -1.22 5.15 -1.24 -4.56 115.26 122.05 3imf n ASN 87 Ca 0.00 -0.01 -0.45 0.00 -0.60 0.00 0.00 54.58 53.53 3imf n ASN 87 Cb 0.47 0.14 -0.05 0.00 -0.53 0.00 0.00 39.78 39.81 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 -2.39 -2.85 -3.59 5.20 0.00 -1.00 -4.86 120.51 111.01 3imf n ALA 88 Ca -0.02 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.76 3imf n ALA 88 Cb 0.53 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.39 -1.55 -0.03 0.00 0.00 -1.26 -4.74 121.76 113.80 3imf s ALA 89 Ca 0.65 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3imf s ALA 89 Cb -0.92 0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.99 3imf s ALA 89 CO 0.47 -0.86 0.02 0.20 0.00 0.00 0.00 175.76 175.59 3imf s GLY 90 N -2.77 0.17 -0.23 0.00 0.00 -1.26 -5.04 107.32 98.19 3imf s GLY 90 Ca 0.06 0.23 -0.21 0.00 0.00 0.00 0.00 44.72 44.80 3imf s GLY 90 CO -0.05 0.69 0.62 0.21 0.00 0.00 0.00 173.10 174.57 3imf s ASN 91 N 1.11 -0.66 0.22 1.64 2.47 -1.26 -4.86 114.94 113.60 3imf s ASN 91 Ca -0.09 1.26 -0.20 0.00 0.42 0.00 0.00 52.86 54.26 3imf s ASN 91 Cb -0.13 1.27 0.03 0.00 -1.45 0.00 0.00 41.25 40.97 3imf s ASN 91 CO -0.02 -0.22 0.61 0.72 -3.72 0.00 0.00 177.10 174.46 3imf s PHE 92 N 0.40 -0.21 -0.05 0.43 -0.71 -1.26 -3.52 117.98 113.05 3imf s PHE 92 Ca -0.01 -0.14 -0.12 0.00 -1.04 0.00 0.00 56.93 55.63 3imf s PHE 92 Cb -0.04 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 3imf s PHE 92 CO -0.00 -1.02 0.30 0.42 -1.34 0.00 0.00 175.22 173.58 3imf s ILE 93 N -3.87 5.22 -0.29 -4.49 1.01 -1.26 -4.67 121.20 112.86 3imf s ILE 93 Ca 0.09 0.59 -0.15 0.00 0.00 0.00 0.00 60.65 61.17 3imf s ILE 93 Cb -0.03 -3.59 0.11 0.00 0.01 0.00 0.00 42.46 38.96 3imf s ILE 93 CO -0.01 0.58 0.78 0.00 0.00 0.00 0.00 174.94 176.30 3imf n PRO 95 N 4.27 2.61 -0.31 0.00 -0.02 -1.26 -4.50 135.00 135.79 3imf n PRO 95 Ca -0.18 0.92 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 3imf n PRO 95 Cb 0.57 -2.64 0.36 0.00 -0.02 0.00 0.00 33.50 31.78 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 3.12 1.80 0.00 3.55 0.00 -1.97 0.16 119.26 125.91 3imf h ALA 96 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3imf h ALA 96 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3imf h ALA 96 CO 0.66 -0.09 0.00 1.05 0.00 0.00 0.00 179.25 180.86 3imf h GLU 97 N 0.72 0.00 -0.01 0.00 9.09 -2.04 -3.11 114.58 119.23 3imf h GLU 97 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 3imf h GLU 97 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 3imf h GLU 97 CO -0.27 0.00 -0.60 -0.25 0.05 0.00 0.00 179.01 177.94 3imf n ASP 98 N -2.48 1.70 -4.72 3.06 8.00 0.51 -4.96 116.55 117.68 3imf n ASP 98 Ca 0.03 -1.35 -0.42 0.00 0.71 0.00 0.00 54.79 53.76 3imf n ASP 98 Cb 0.31 0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 42.01 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 -2.58 4.37 0.59 0.64 2.96 -0.99 -4.95 118.68 118.73 3imf s LEU 99 Ca 0.15 2.20 -0.15 0.00 -0.22 0.00 0.00 54.13 56.11 3imf s LEU 99 Cb 0.17 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 3imf s LEU 99 CO 0.63 -0.56 1.04 -0.94 -1.32 0.00 0.00 176.35 175.20 3imf s SER 100 N 1.02 5.97 0.21 3.68 1.04 -1.26 -4.90 113.70 119.45 3imf s SER 100 Ca 0.61 1.70 -0.10 0.00 0.48 0.00 0.00 55.95 58.64 3imf s SER 100 Cb -0.34 -2.52 0.15 0.00 0.10 0.00 0.00 66.02 63.41 3imf s SER 100 CO 0.30 -1.04 1.86 0.58 0.98 0.00 0.00 173.24 175.92 3imf h VAL 101 N 0.35 1.20 -0.68 5.02 2.07 -1.99 -0.89 116.25 121.33 3imf h VAL 101 Ca -0.46 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3imf h VAL 101 Cb 1.21 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3imf h VAL 101 CO 0.59 0.21 0.29 0.78 0.02 0.00 0.00 177.57 179.45 3imf h ASN 102 N 1.01 0.90 0.02 0.57 2.35 -1.98 0.12 115.58 118.58 3imf h ASN 102 Ca 0.27 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3imf h ASN 102 Cb -0.07 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.07 3imf h ASN 102 CO -0.05 0.79 -0.01 1.23 -1.65 0.00 0.00 177.43 177.74 3imf h GLY 103 N 1.05 -0.03 0.88 2.83 0.00 -1.77 0.10 103.07 106.13 3imf h GLY 103 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3imf h GLY 103 CO -0.02 -0.01 -0.12 -0.25 0.00 0.00 0.00 176.54 176.14 3imf h TRP 104 N -0.15 -0.30 -0.98 5.60 2.91 -1.00 -2.87 115.95 119.16 3imf h TRP 104 Ca -0.00 0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.10 3imf h TRP 104 Cb 0.14 0.11 -0.07 0.00 -0.51 0.00 0.00 29.16 28.83 3imf h TRP 104 CO -0.04 -0.18 0.63 -0.91 -1.03 0.00 0.00 178.44 176.91 3imf h ASN 105 N -0.27 0.98 -0.68 2.65 2.35 -0.65 -2.19 115.58 117.77 3imf h ASN 105 Ca -0.00 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3imf h ASN 105 Cb 0.25 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3imf h ASN 105 CO -0.02 0.60 0.14 0.77 -1.65 0.00 0.00 177.43 177.27 3imf h SER 106 N 1.10 1.06 -0.15 5.81 4.64 -0.82 0.50 113.55 125.69 3imf h SER 106 Ca 0.44 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 3imf h SER 106 Cb 0.25 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3imf h SER 106 CO -0.20 1.03 -0.13 0.58 -0.87 0.00 0.00 176.83 177.24 3imf h VAL 107 N 1.05 1.34 -0.76 0.95 2.07 -1.23 -1.60 116.25 118.07 3imf h VAL 107 Ca 0.21 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.48 3imf h VAL 107 Cb 0.41 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3imf h VAL 107 CO 0.01 0.38 0.48 0.40 0.02 0.00 0.00 177.57 178.85 3imf h ILE 108 N -0.02 1.12 -0.07 4.57 1.08 -1.30 -1.16 117.51 121.73 3imf h ILE 108 Ca 0.02 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3imf h ILE 108 Cb 0.66 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3imf h ILE 108 CO 0.03 0.17 0.03 0.78 -0.69 0.00 0.00 178.15 178.48 3imf h ASN 109 N 0.95 0.10 0.07 1.72 2.35 -0.77 -0.92 115.58 119.06 3imf h ASN 109 Ca 0.30 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3imf h ASN 109 Cb -0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3imf h ASN 109 CO -0.11 0.23 -0.03 0.40 -1.65 0.00 0.00 177.43 176.27 3imf h ILE 110 N -0.03 1.22 0.03 2.81 2.04 -1.21 0.14 117.51 122.51 3imf h ILE 110 Ca 0.02 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 3imf h ILE 110 Cb 0.16 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3imf h ILE 110 CO -0.00 0.27 -0.02 0.58 0.00 0.00 0.00 178.15 178.98 3imf h VAL 111 N -0.60 0.94 0.00 1.67 2.07 -1.29 -3.19 116.25 115.85 3imf h VAL 111 Ca -0.01 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3imf h VAL 111 Cb 0.51 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3imf h VAL 111 CO 0.02 0.31 -0.04 0.25 0.02 0.00 0.00 177.57 178.12 3imf h LEU 112 N -0.97 0.00 -0.36 2.57 5.85 -1.35 -3.11 115.31 117.94 3imf h LEU 112 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3imf h LEU 112 Cb 0.54 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3imf h LEU 112 CO 0.01 0.51 0.16 0.78 -0.34 0.00 0.00 178.44 179.55 3imf h ASN 113 N -0.97 0.48 -0.91 1.25 2.35 -1.20 -1.91 115.58 114.67 3imf h ASN 113 Ca 0.00 -0.15 0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3imf h ASN 113 Cb 0.04 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.22 3imf h ASN 113 CO 0.00 0.49 0.57 1.23 -1.65 0.00 0.00 177.43 178.07 3imf h GLY 114 N 0.43 1.38 1.06 2.83 0.00 -0.69 0.28 103.07 108.36 3imf h GLY 114 Ca 0.12 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 3imf h GLY 114 CO -0.01 0.28 0.12 -0.84 0.00 0.00 0.00 176.54 176.09 3imf h THR 115 N 1.03 1.26 -0.42 4.70 2.02 -1.43 -1.58 112.91 118.49 3imf h THR 115 Ca 0.40 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 3imf h THR 115 Cb 0.19 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3imf h THR 115 CO -0.18 0.38 -0.07 0.15 0.37 0.00 0.00 175.52 176.18 3imf h PHE 116 N 1.02 0.88 -0.56 3.16 3.57 -0.46 -1.14 116.94 123.41 3imf h PHE 116 Ca 0.20 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3imf h PHE 116 Cb 0.42 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3imf h PHE 116 CO 0.03 0.89 0.30 1.88 -2.23 0.00 0.00 178.31 179.18 3imf h TYR 117 N 0.61 0.77 -0.38 0.41 0.05 -0.35 0.49 116.97 118.56 3imf h TYR 117 Ca 0.11 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.74 3imf h TYR 117 Cb 0.58 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3imf h TYR 117 CO 0.05 0.56 -0.29 0.00 -1.05 0.00 0.00 178.16 177.43 3imf h SER 119 N 0.68 0.98 -0.29 0.00 0.02 -0.96 -1.46 113.55 112.52 3imf h SER 119 Ca 0.07 -0.40 -0.16 0.00 -0.84 0.00 0.00 61.79 60.46 3imf h SER 119 Cb 0.87 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 3imf h SER 119 CO 0.08 1.19 -0.45 -0.61 -1.14 0.00 0.00 176.83 175.89 3imf h GLN 120 N 0.79 0.81 -0.19 3.45 4.15 -0.90 -0.21 115.11 123.01 3imf h GLN 120 Ca 0.09 -0.49 -0.03 0.00 0.77 0.00 0.00 58.65 58.99 3imf h GLN 120 Cb 0.87 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 3imf h GLN 120 CO 0.08 1.12 -0.01 0.00 -1.93 0.00 0.00 178.83 178.09 3imf h ALA 121 N 0.68 0.26 -0.58 3.38 0.00 -1.32 -0.29 119.26 121.39 3imf h ALA 121 Ca 0.03 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3imf h ALA 121 Cb 1.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3imf h ALA 121 CO 0.10 -0.02 -0.04 0.82 0.00 0.00 0.00 179.25 180.12 3imf h ILE 122 N 0.09 1.27 -0.30 0.00 1.08 -1.31 -1.99 117.51 116.35 3imf h ILE 122 Ca 0.05 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 3imf h ILE 122 Cb 0.40 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 3imf h ILE 122 CO 0.01 0.43 0.19 1.23 -0.69 0.00 0.00 178.15 179.32 3imf h GLY 123 N 0.94 0.42 1.05 5.37 0.00 -0.92 0.29 103.07 110.22 3imf h GLY 123 Ca 0.16 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3imf h GLY 123 CO 0.04 0.16 0.55 0.50 0.00 0.00 0.00 176.54 177.79 3imf h LYS 124 N 0.40 1.02 -0.11 4.80 1.57 -0.91 0.14 116.57 123.48 3imf h LYS 124 Ca 0.11 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3imf h LYS 124 Cb -0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3imf h LYS 124 CO -0.02 0.67 0.06 -0.92 -0.57 0.00 0.00 179.45 178.67 3imf h TYR 125 N 1.05 0.16 -0.98 -1.35 5.03 -0.58 -1.78 116.97 118.52 3imf h TYR 125 Ca 0.33 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.65 3imf h TYR 125 Cb 0.03 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.21 3imf h TYR 125 CO -0.00 0.20 0.65 -1.49 -1.32 0.00 0.00 178.16 176.20 3imf h TRP 126 N 0.08 1.24 -0.26 -3.82 6.55 -0.03 -2.14 115.95 117.57 3imf h TRP 126 Ca 0.04 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.90 3imf h TRP 126 Cb 0.09 -0.42 -0.01 0.00 -0.86 0.00 0.00 29.16 27.96 3imf h TRP 126 CO -0.04 0.78 0.14 0.82 -1.05 0.00 0.00 178.44 179.09 3imf h ILE 127 N 1.33 1.12 -0.86 1.49 2.04 -0.57 0.15 117.51 122.22 3imf h ILE 127 Ca 0.36 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3imf h ILE 127 Cb -0.15 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 3imf h ILE 127 CO -0.08 0.12 0.55 -0.33 0.00 0.00 0.00 178.15 178.41 3imf h GLU 128 N 0.30 1.04 -0.02 2.37 5.08 -1.10 -2.95 114.58 119.30 3imf h GLU 128 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3imf h GLU 128 Cb 0.06 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3imf h GLU 128 CO -0.01 0.69 -0.09 1.63 -1.00 0.00 0.00 179.01 180.22 3imf n LYS 129 N -4.55 1.74 -2.40 2.33 5.02 -0.82 -4.96 118.16 114.52 3imf n LYS 129 Ca 0.11 -1.25 -0.12 0.00 -2.02 0.00 0.00 58.31 55.03 3imf n LYS 129 Cb 0.09 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 1.29 -0.08 3.69 0.72 0.00 0.36 -5.01 105.19 106.15 3imf n GLY 130 Ca 0.15 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.71 5.23 -1.25 -0.61 1.01 -0.19 -5.00 121.20 117.68 3imf s ILE 131 Ca 0.06 0.68 -0.15 0.00 0.00 0.00 0.00 60.65 61.24 3imf s ILE 131 Cb -0.03 -3.71 0.13 0.00 0.01 0.00 0.00 42.46 38.87 3imf s ILE 131 CO 0.08 0.29 1.56 0.29 0.00 0.00 0.00 174.94 177.16 3imf n LYS 132 N 4.18 3.31 -1.46 2.79 5.02 -1.26 -4.65 118.16 126.10 3imf n LYS 132 Ca -0.09 -3.63 -0.29 0.00 -2.02 0.00 0.00 58.31 52.27 3imf n LYS 132 Cb 0.51 -3.20 0.16 0.00 -0.02 0.00 0.00 35.03 32.48 3imf n LYS 132 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3imf s GLY 133 N 3.29 1.59 -0.07 0.72 0.00 -1.26 -4.82 107.32 106.76 3imf s GLY 133 Ca 0.47 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.63 3imf s GLY 133 CO 0.03 0.03 -0.16 -1.31 0.00 0.00 0.00 173.10 171.68 3imf s ASN 134 N -3.98 2.17 -0.09 1.64 -0.87 -0.92 -1.67 114.94 111.23 3imf s ASN 134 Ca 0.65 -0.37 0.04 0.00 -1.57 0.00 0.00 52.86 51.61 3imf s ASN 134 Cb -0.14 -0.91 -0.01 0.00 -0.02 0.00 0.00 41.25 40.17 3imf s ASN 134 CO 0.54 0.09 -0.21 -0.63 -2.57 0.00 0.00 177.10 174.32 3imf s ILE 135 N 0.44 2.33 -0.12 0.60 1.01 0.03 -1.39 121.20 124.09 3imf s ILE 135 Ca -0.13 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.59 3imf s ILE 135 Cb -0.15 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.44 3imf s ILE 135 CO 0.05 0.56 -0.15 -0.63 0.00 0.00 0.00 174.94 174.77 3imf s ILE 136 N 0.07 1.52 0.00 2.92 1.01 -0.33 -1.45 121.20 124.94 3imf s ILE 136 Ca -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3imf s ILE 136 Cb -0.15 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.91 3imf s ILE 136 CO 0.06 0.45 0.00 0.59 0.00 0.00 0.00 174.94 176.03 3imf n ASN 137 N 4.43 0.00 0.00 3.58 3.02 -0.15 -1.21 115.26 124.93 3imf n ASN 137 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3imf n ASN 137 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -3.82 2.41 0.24 0.65 -1.10 118.33 116.71 3imf n VAL 139 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 3imf n VAL 139 Cb 0.00 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 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 -0.37 0.26 2.33 0.00 -1.26 -4.20 121.76 117.52 3imf s ALA 140 Ca 0.00 -0.46 0.30 0.00 0.00 0.00 0.00 51.96 51.80 3imf s ALA 140 Cb 0.00 0.47 1.34 0.00 0.00 0.00 0.00 23.12 24.94 3imf s ALA 140 CO 0.00 -0.50 1.99 1.79 0.00 0.00 0.00 175.76 179.04 3imf h THR 141 N 2.82 0.36 0.00 0.00 1.35 -1.86 -1.54 112.91 114.04 3imf h THR 141 Ca -0.34 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3imf h THR 141 Cb 1.21 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3imf h THR 141 CO 0.53 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.91 3imf n TYR 142 N -3.36 0.00 0.27 4.73 0.18 -1.26 -3.32 117.16 114.40 3imf n TYR 142 Ca -0.01 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.89 3imf n TYR 142 Cb 0.31 -0.34 0.77 0.00 -0.38 0.00 0.00 39.34 39.69 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 2.97 1.79 -0.19 -3.48 0.00 -1.54 -2.47 119.26 116.34 3imf h ALA 143 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3imf h ALA 143 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3imf h ALA 143 CO 0.00 -0.02 -0.08 -2.67 0.00 0.00 0.00 179.25 176.48 3imf n TRP 144 N -4.20 0.62 -1.59 0.00 2.14 -1.21 -4.21 117.44 108.99 3imf n TRP 144 Ca -0.03 -1.19 0.00 0.00 2.07 0.00 0.00 57.50 58.35 3imf n TRP 144 Cb 0.10 -0.32 0.00 0.00 -0.81 0.00 0.00 31.31 30.29 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 -1.00 0.00 -4.88 -0.67 -0.08 -0.93 -5.15 116.55 103.84 3imf n ASP 145 Ca 0.23 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.17 3imf n ASP 145 Cb 0.84 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.25 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 -1.51 3.79 -0.55 -1.67 0.00 -1.26 -4.95 121.76 115.61 3imf s ALA 146 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.52 3imf s ALA 146 Cb 0.00 -2.15 0.28 0.00 0.00 0.00 0.00 23.12 21.25 3imf s ALA 146 CO 0.00 0.63 0.74 0.41 0.00 0.00 0.00 175.76 177.54 3imf n GLY 147 N 0.73 4.44 3.74 0.00 0.00 -1.26 -4.74 105.19 108.10 3imf n GLY 147 Ca -0.07 -2.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.12 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 0.68 2.76 0.00 1.61 -0.04 -1.26 -0.74 135.00 138.01 3imf n PRO 148 Ca 0.28 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.72 3imf n PRO 148 Cb 0.46 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 2.89 2.57 2.52 0.55 0.00 -1.26 -4.84 105.19 107.62 3imf n GLY 149 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 1.72 -0.32 1.61 0.24 0.08 -0.55 118.33 119.12 3imf n VAL 150 Ca 0.00 -3.65 0.05 0.00 -2.04 0.00 0.00 64.34 58.70 3imf n VAL 150 Cb 0.00 0.06 0.24 0.00 -1.47 0.00 0.00 33.84 32.68 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 3.56 1.03 -0.28 1.34 2.10 -1.81 0.10 117.51 123.56 3imf h ILE 151 Ca 0.08 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3imf h ILE 151 Cb 1.25 -0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 3imf h ILE 151 CO 0.53 0.19 0.18 1.12 -1.08 0.00 0.00 178.15 179.08 3imf h HIS 152 N 1.02 0.33 -0.34 2.19 2.07 -1.91 -1.35 115.15 117.15 3imf h HIS 152 Ca 0.42 0.01 -0.15 0.00 -2.85 0.00 0.00 60.37 57.79 3imf h HIS 152 Cb 0.28 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 30.14 3imf h HIS 152 CO -0.00 0.21 -0.39 1.03 -3.07 0.00 0.00 177.93 175.70 3imf h SER 153 N 0.36 0.89 -0.58 3.10 0.87 -1.59 -1.94 113.55 114.66 3imf h SER 153 Ca 0.10 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3imf h SER 153 Cb -0.03 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 3imf h SER 153 CO -0.03 1.17 0.33 0.00 -0.53 0.00 0.00 176.83 177.77 3imf h ALA 154 N 0.87 0.74 -0.10 6.23 0.00 -0.88 0.62 119.26 126.73 3imf h ALA 154 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3imf h ALA 154 Cb 0.96 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3imf h ALA 154 CO 0.09 0.24 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 3imf h ALA 155 N 1.16 0.14 -0.37 0.00 0.00 -1.18 -0.70 119.26 118.31 3imf h ALA 155 Ca 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3imf h ALA 155 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3imf h ALA 155 CO -0.04 -0.13 0.23 0.00 0.00 0.00 0.00 179.25 179.31 3imf h ALA 156 N 0.69 0.47 -0.17 0.00 0.00 -1.20 -1.63 119.26 117.42 3imf h ALA 156 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3imf h ALA 156 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3imf h ALA 156 CO 0.01 -0.04 -0.40 0.87 0.00 0.00 0.00 179.25 179.68 3imf h LYS 157 N 0.49 0.39 -0.67 0.00 6.56 -0.88 -0.67 116.57 121.78 3imf h LYS 157 Ca 0.13 -0.19 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 3imf h LYS 157 Cb -0.01 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 3imf h LYS 157 CO -0.03 0.73 0.24 0.00 -2.06 0.00 0.00 179.45 178.33 3imf h ALA 158 N 1.25 1.15 -0.56 3.86 0.00 -0.92 -0.54 119.26 123.50 3imf h ALA 158 Ca 0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3imf h ALA 158 Cb 0.85 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3imf h ALA 158 CO 0.07 0.60 -0.07 0.78 0.00 0.00 0.00 179.25 180.63 3imf h GLY 159 N 1.06 1.12 1.00 0.00 0.00 -0.69 -1.83 103.07 103.73 3imf h GLY 159 Ca 0.22 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 3imf h GLY 159 CO -0.01 0.80 0.33 -2.08 0.00 0.00 0.00 176.54 175.58 3imf h VAL 160 N 0.93 1.21 -0.53 4.60 2.07 -0.69 -2.78 116.25 121.06 3imf h VAL 160 Ca 0.15 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3imf h VAL 160 Cb 0.63 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3imf h VAL 160 CO 0.04 0.23 0.35 0.25 0.02 0.00 0.00 177.57 178.47 3imf h LEU 161 N 0.87 0.61 -1.74 2.57 5.85 -0.89 0.29 115.31 122.87 3imf h LEU 161 Ca 0.22 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3imf h LEU 161 Cb 0.07 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3imf h LEU 161 CO -0.03 0.45 0.00 0.00 -0.34 0.00 0.00 178.44 178.52 3imf n ALA 162 N -2.25 1.51 0.00 1.25 0.00 -0.71 -2.09 120.51 118.22 3imf n ALA 162 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3imf n ALA 162 Cb 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.81 0.00 -0.05 0.00 -1.04 0.09 -1.02 114.28 113.07 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 0.05 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.62 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 -0.10 -2.82 1.57 -1.69 -1.57 116.57 112.67 3imf h LYS 165 Ca 0.00 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 3imf h LYS 165 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3imf h LYS 165 CO 0.00 0.98 -0.02 1.15 -0.57 0.00 0.00 179.45 180.99 3imf h THR 166 N 0.58 1.29 -0.46 -0.16 2.02 -1.35 -2.72 112.91 112.11 3imf h THR 166 Ca 0.05 -0.95 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 3imf h THR 166 Cb 0.94 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 3imf h THR 166 CO 0.09 0.27 0.01 -0.07 0.37 0.00 0.00 175.52 176.18 3imf h LEU 167 N -0.13 0.72 -0.99 2.58 3.38 -1.81 -1.64 115.31 117.42 3imf h LEU 167 Ca 0.03 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.92 3imf h LEU 167 Cb 0.43 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3imf h LEU 167 CO 0.01 0.79 0.63 0.00 0.09 0.00 0.00 178.44 179.96 3imf h ALA 168 N 1.30 1.43 0.20 1.53 0.00 -1.17 0.06 119.26 122.60 3imf h ALA 168 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3imf h ALA 168 Cb 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3imf h ALA 168 CO 0.02 0.35 -0.10 0.28 0.00 0.00 0.00 179.25 179.80 3imf h VAL 169 N 1.09 0.73 0.15 0.00 2.07 -1.14 -1.93 116.25 117.22 3imf h VAL 169 Ca 0.46 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3imf h VAL 169 Cb 0.30 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3imf h VAL 169 CO -0.21 0.18 -0.07 -0.33 0.02 0.00 0.00 177.57 177.16 3imf h GLU 170 N -0.89 -0.20 0.00 1.57 5.08 -1.24 -2.09 114.58 116.82 3imf h GLU 170 Ca -0.03 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3imf h GLU 170 Cb 0.51 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3imf h GLU 170 CO 0.04 0.06 -0.96 -1.49 -1.00 0.00 0.00 179.01 175.67 3imf h TRP 171 N -0.45 0.00 -0.20 4.33 6.55 -1.16 -1.78 115.95 123.24 3imf h TRP 171 Ca -0.02 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.81 3imf h TRP 171 Cb 0.35 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.65 3imf h TRP 171 CO 0.01 0.38 0.08 0.78 -1.05 0.00 0.00 178.44 178.64 3imf h GLY 172 N 3.75 0.32 0.61 1.49 0.00 -1.21 0.01 103.07 108.02 3imf h GLY 172 Ca -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3imf h GLY 172 CO 0.04 0.16 -0.00 -0.09 0.00 0.00 0.00 176.54 176.64 3imf h ARG 173 N 0.18 -0.01 0.00 4.80 2.43 -1.41 -1.67 114.38 118.70 3imf h ARG 173 Ca 0.07 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.02 3imf h ARG 173 Cb 0.16 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3imf h ARG 173 CO -0.01 0.38 -1.12 -0.22 -1.51 0.00 0.00 179.97 177.49 3imf h LYS 174 N -0.40 0.00 0.00 0.20 3.64 -1.35 -3.39 116.57 115.26 3imf h LYS 174 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3imf h LYS 174 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3imf h LYS 174 CO 0.00 0.82 0.00 0.66 -2.27 0.00 0.00 179.45 178.66 3imf n TYR 175 N -3.26 0.00 -1.13 1.91 4.01 -0.17 -5.02 117.16 113.50 3imf n TYR 175 Ca -0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.66 3imf n TYR 175 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.95 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 0.29 0.72 3.70 2.72 0.00 -0.30 -4.65 105.19 107.67 3imf n GLY 176 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.08 4.95 -0.01 -0.61 1.01 -0.93 -4.54 121.20 118.99 3imf s ILE 177 Ca 0.00 1.66 -0.14 0.00 0.00 0.00 0.00 60.65 62.17 3imf s ILE 177 Cb 0.00 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 3imf s ILE 177 CO 0.00 0.15 0.38 -0.13 0.00 0.00 0.00 174.94 175.35 3imf s ARG 178 N 1.31 3.87 -0.05 2.79 0.52 -0.67 -2.91 118.95 123.81 3imf s ARG 178 Ca 0.41 0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.97 3imf s ARG 178 Cb -0.18 -3.21 0.03 0.00 0.52 0.00 0.00 34.95 32.11 3imf s ARG 178 CO 0.18 0.70 0.01 0.08 0.02 0.00 0.00 175.30 176.29 3imf s VAL 179 N -1.09 0.24 0.20 3.52 1.01 -1.26 -0.79 120.40 122.23 3imf s VAL 179 Ca 0.23 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 3imf s VAL 179 Cb -0.16 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3imf s VAL 179 CO 0.13 0.22 0.15 0.20 0.00 0.00 0.00 175.10 175.79 3imf s ASN 180 N 1.74 0.15 0.14 3.32 0.01 -0.53 -0.09 114.94 119.69 3imf s ASN 180 Ca 0.01 -1.37 0.05 0.00 -0.71 0.00 0.00 52.86 50.83 3imf s ASN 180 Cb -0.13 0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.88 3imf s ASN 180 CO -0.04 -0.86 -0.11 0.00 -1.51 0.00 0.00 177.10 174.59 3imf s ALA 181 N -4.15 1.45 -0.05 0.60 0.00 0.48 -0.97 121.76 119.12 3imf s ALA 181 Ca 0.38 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 50.94 3imf s ALA 181 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3imf s ALA 181 CO 0.12 -0.06 -0.21 0.42 0.00 0.00 0.00 175.76 176.03 3imf s ILE 182 N -3.09 1.72 -0.41 0.00 1.01 -0.26 -4.15 121.20 116.02 3imf s ILE 182 Ca 0.15 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.95 3imf s ILE 182 Cb 0.01 -1.47 0.11 0.00 0.01 0.00 0.00 42.46 41.13 3imf s ILE 182 CO 0.01 0.49 0.15 0.00 0.00 0.00 0.00 174.94 175.58 3imf s ALA 183 N -0.07 3.08 0.52 9.38 0.00 -1.26 -0.25 121.76 133.15 3imf s ALA 183 Ca -0.03 -2.78 -0.13 0.00 0.00 0.00 0.00 51.96 49.02 3imf s ALA 183 Cb -0.12 -2.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 3imf s ALA 183 CO 0.03 -1.82 0.93 -1.25 0.00 0.00 0.00 175.76 173.65 3imf s PRO 184 N 0.54 3.78 0.00 0.00 0.05 -1.26 -4.43 135.00 133.68 3imf s PRO 184 Ca 0.13 0.72 0.00 0.00 0.05 0.00 0.00 61.00 61.90 3imf s PRO 184 Cb -0.21 -2.20 0.00 0.00 0.05 0.00 0.00 34.50 32.14 3imf s PRO 184 CO -0.05 -0.29 0.00 0.41 0.05 0.00 0.00 177.00 177.12 3imf n GLY 185 N -1.89 1.24 3.69 0.56 0.00 -1.26 -4.40 105.19 103.12 3imf n GLY 185 Ca 0.05 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 2.10 4.33 -0.11 1.61 0.04 -1.26 -4.92 135.00 136.79 3imf s PRO 186 Ca 0.00 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.81 3imf s PRO 186 Cb 0.00 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3imf s PRO 186 CO 0.00 -0.49 -0.23 0.42 0.04 0.00 0.00 177.00 176.74 3imf s ILE 187 N 2.33 2.09 0.86 0.56 -1.09 -1.26 -0.66 121.20 124.03 3imf s ILE 187 Ca 0.58 -1.00 -0.11 0.00 -2.23 0.00 0.00 60.65 57.89 3imf s ILE 187 Cb -0.26 -1.81 0.11 0.00 -1.58 0.00 0.00 42.46 38.92 3imf s ILE 187 CO 0.23 0.56 1.15 -1.83 -1.23 0.00 0.00 174.94 173.82 3imf s GLU 188 N 0.49 1.42 -1.62 2.79 -1.05 -0.36 -3.36 118.70 117.02 3imf s GLU 188 Ca -0.15 1.55 -0.01 0.00 -0.15 0.00 0.00 54.97 56.21 3imf s GLU 188 Cb -0.17 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.75 3imf s GLU 188 CO 0.06 -2.34 0.11 0.54 0.95 0.00 0.00 175.26 174.58 3imf n ARG 189 N -3.81 -2.35 -4.88 -4.83 3.00 -1.26 -4.37 116.66 98.16 3imf n ARG 189 Ca 0.12 0.91 -0.30 0.00 -0.01 0.00 0.00 57.85 58.57 3imf n ARG 189 Cb 0.52 -5.60 -0.17 0.00 0.00 0.00 0.00 32.46 27.20 3imf n ARG 189 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3imf s THR 190 N -2.99 1.78 -0.94 0.55 -4.23 -1.21 -4.30 115.64 104.30 3imf s THR 190 Ca 0.06 -0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.70 3imf s THR 190 Cb -0.03 -1.57 0.24 0.00 1.34 0.00 0.00 72.50 72.48 3imf s THR 190 CO 0.07 0.50 0.91 0.61 -0.54 0.00 0.00 174.62 176.17 3imf n GLY 191 N 3.78 4.29 3.87 3.99 0.00 -1.26 -5.01 105.19 114.85 3imf n GLY 191 Ca -0.20 -2.61 -0.33 0.00 0.00 0.00 0.00 46.02 42.88 3imf n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3imf s GLY 192 N -0.27 2.31 -0.30 -0.02 0.00 -1.26 -5.12 107.32 102.65 3imf s GLY 192 Ca 0.30 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 3imf s GLY 192 CO -0.09 -0.14 1.55 0.00 0.00 0.00 0.00 173.10 174.42 3imf s ALA 193 N -1.71 3.15 0.00 3.20 0.00 -1.23 -5.07 121.76 120.11 3imf s ALA 193 Ca 0.44 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3imf s ALA 193 Cb -0.12 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.11 3imf s ALA 193 CO 0.21 -2.16 0.00 -0.85 0.00 0.00 0.00 175.76 172.96 3imf n GLU 201 N 7.86 0.00 -0.00 0.00 0.28 -1.26 -4.73 120.64 122.78 3imf n GLU 201 Ca 0.18 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.24 3imf n GLU 201 Cb 0.46 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.26 3imf n GLU 201 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3imf n ALA 203 N 1.86 2.84 0.36 -1.84 0.00 -1.26 -5.09 120.51 117.38 3imf n ALA 203 Ca 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.29 3imf n ALA 203 Cb 0.00 -0.37 0.51 0.00 0.00 0.00 0.00 19.45 19.59 3imf n ALA 203 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3imf n LYS 204 N -1.59 0.20 -0.07 0.00 5.02 -1.26 -1.81 118.16 118.65 3imf n LYS 204 Ca -0.00 0.46 -0.14 0.00 -2.02 0.00 0.00 58.31 56.60 3imf n LYS 204 Cb 0.23 -1.90 -0.05 0.00 -0.02 0.00 0.00 35.03 33.28 3imf n LYS 204 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3imf h ARG 205 N 0.00 0.69 -0.04 1.97 3.08 -1.98 -1.47 114.38 116.63 3imf h ARG 205 Ca 0.00 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 3imf h ARG 205 Cb 0.32 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3imf h ARG 205 CO 0.00 1.04 -0.00 1.15 -1.07 0.00 0.00 179.97 181.09 3imf h THR 206 N 0.41 1.28 -0.24 2.04 2.02 -1.80 -2.05 112.91 114.56 3imf h THR 206 Ca 0.02 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 3imf h THR 206 Cb 0.99 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 3imf h THR 206 CO 0.09 0.23 -0.06 0.16 0.37 0.00 0.00 175.52 176.31 3imf h ILE 207 N -0.26 1.18 -0.34 3.11 -0.00 -1.51 -1.83 117.51 117.86 3imf h ILE 207 Ca 0.01 -0.76 -0.03 0.00 -0.00 0.00 0.00 64.86 64.08 3imf h ILE 207 Cb 0.36 1.07 -0.02 0.00 -0.00 0.00 0.00 36.82 38.23 3imf h ILE 207 CO 0.00 0.25 0.09 -0.61 -0.00 0.00 0.00 178.15 177.89 3imf h GLN 208 N 0.36 0.49 0.00 0.16 5.75 -1.10 -2.03 115.11 118.75 3imf h GLN 208 Ca 0.08 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3imf h GLN 208 Cb 0.34 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.80 3imf h GLN 208 CO 0.02 0.45 0.00 -1.13 -2.65 0.00 0.00 178.83 175.52 3imf n SER 209 N -4.36 0.14 -4.59 -0.69 3.41 -0.70 -4.57 113.62 102.27 3imf n SER 209 Ca 0.02 0.52 -0.40 0.00 -0.26 0.00 0.00 58.87 58.75 3imf n SER 209 Cb 0.17 -0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 3imf n SER 209 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3imf s VAL 210 N -3.03 5.08 0.24 -3.33 1.01 -0.76 -4.52 120.40 115.08 3imf s VAL 210 Ca 0.11 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 3imf s VAL 210 Cb 0.15 -3.84 0.23 0.00 0.00 0.00 0.00 36.38 32.92 3imf s VAL 210 CO 0.45 0.01 1.68 -0.65 0.00 0.00 0.00 175.10 176.59 3imf h PRO 211 N 8.20 0.24 0.00 2.72 0.11 -1.80 0.11 132.00 141.57 3imf h PRO 211 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3imf h PRO 211 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3imf h PRO 211 CO 0.72 0.16 0.00 1.28 -0.21 0.00 0.00 178.00 179.94 3imf n LEU 212 N -5.18 0.15 -1.25 2.35 4.77 -1.19 -4.88 117.00 111.78 3imf n LEU 212 Ca 0.14 0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 56.56 3imf n LEU 212 Cb 0.46 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3imf n LEU 212 CO 0.12 -0.42 -0.14 0.61 -1.33 0.00 0.00 177.39 176.23 3imf n GLY 213 N -0.48 -0.08 3.81 -0.72 0.00 0.37 -4.99 105.19 103.09 3imf n GLY 213 Ca 0.02 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.55 1.81 0.37 1.61 1.70 -1.26 -4.89 118.95 113.75 3imf s ARG 214 Ca 0.00 -1.09 -0.08 0.00 -0.47 0.00 0.00 55.73 54.09 3imf s ARG 214 Cb 0.00 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 34.91 3imf s ARG 214 CO 0.00 -0.82 0.70 -0.51 -1.08 0.00 0.00 175.30 173.58 3imf s LEU 215 N -2.96 3.89 0.87 -1.89 1.43 -1.26 -4.91 118.68 113.85 3imf s LEU 215 Ca 0.13 0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 3imf s LEU 215 Cb -0.05 -3.83 0.13 0.00 0.03 0.00 0.00 46.19 42.47 3imf s LEU 215 CO 0.08 -0.35 1.24 -0.83 0.23 0.00 0.00 176.35 176.72 3imf s GLY 216 N -3.27 1.68 0.21 -3.19 0.00 0.17 -4.81 107.32 98.11 3imf s GLY 216 Ca 0.48 -0.90 0.11 0.00 0.00 0.00 0.00 44.72 44.41 3imf s GLY 216 CO 0.32 -0.29 -0.23 -0.51 0.00 0.00 0.00 173.10 172.39 3imf s THR 217 N -3.71 2.32 0.48 0.90 -4.23 -1.26 -1.22 115.64 108.92 3imf s THR 217 Ca 0.67 -2.09 0.13 0.00 -1.18 0.00 0.00 61.69 59.22 3imf s THR 217 Cb -0.08 -2.13 0.26 0.00 1.34 0.00 0.00 72.50 71.90 3imf s THR 217 CO 0.51 -0.19 2.11 -0.65 -0.54 0.00 0.00 174.62 175.85 3imf h PRO 218 N 3.03 0.17 -0.20 3.99 0.11 -1.94 -2.08 132.00 135.08 3imf h PRO 218 Ca -0.45 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3imf h PRO 218 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3imf h PRO 218 CO 0.51 0.12 -0.33 0.93 -0.21 0.00 0.00 178.00 179.02 3imf h GLU 219 N 0.17 0.41 -0.22 1.05 3.07 -1.95 0.17 114.58 117.28 3imf h GLU 219 Ca 0.05 -0.17 -0.08 0.00 -0.50 0.00 0.00 59.36 58.65 3imf h GLU 219 Cb -0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3imf h GLU 219 CO -0.01 0.69 -0.18 0.93 -1.40 0.00 0.00 179.01 179.04 3imf h GLU 220 N 0.35 0.51 -0.76 2.33 5.08 -1.83 -1.45 114.58 118.80 3imf h GLU 220 Ca 0.04 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3imf h GLU 220 Cb 0.75 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3imf h GLU 220 CO 0.06 0.83 0.50 0.82 -1.00 0.00 0.00 179.01 180.22 3imf h ILE 221 N 0.20 1.19 -0.89 3.13 1.08 -1.12 -2.10 117.51 118.99 3imf h ILE 221 Ca 0.04 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3imf h ILE 221 Cb 0.71 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.49 3imf h ILE 221 CO 0.05 0.19 0.56 0.00 -0.69 0.00 0.00 178.15 178.25 3imf h ALA 222 N 1.28 1.30 -0.27 1.87 0.00 -0.53 -1.68 119.26 121.23 3imf h ALA 222 Ca 0.28 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3imf h ALA 222 Cb -0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 3imf h ALA 222 CO -0.07 0.62 -0.05 0.78 0.00 0.00 0.00 179.25 180.53 3imf h GLY 223 N 1.23 0.45 0.82 0.00 0.00 -0.62 -0.20 103.07 104.75 3imf h GLY 223 Ca 0.32 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 3imf h GLY 223 CO -0.06 0.25 -0.29 -2.00 0.00 0.00 0.00 176.54 174.44 3imf h LEU 224 N 0.40 0.53 -0.60 3.11 5.85 -0.90 -0.34 115.31 123.36 3imf h LEU 224 Ca 0.09 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3imf h LEU 224 Cb 0.35 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3imf h LEU 224 CO 0.02 0.98 0.32 0.00 -0.34 0.00 0.00 178.44 179.42 3imf h ALA 225 N 0.56 0.77 -0.35 1.25 0.00 -1.10 -1.06 119.26 119.34 3imf h ALA 225 Ca 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3imf h ALA 225 Cb 0.89 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3imf h ALA 225 CO 0.07 0.29 0.10 -0.92 0.00 0.00 0.00 179.25 178.79 3imf h TYR 226 N 0.81 0.57 -0.27 0.00 3.20 -0.98 -2.14 116.97 118.16 3imf h TYR 226 Ca 0.21 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.07 3imf h TYR 226 Cb 0.05 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3imf h TYR 226 CO -0.01 0.57 -0.01 -0.92 -1.64 0.00 0.00 178.16 176.15 3imf h TYR 227 N 0.41 -0.03 -0.10 -3.82 3.20 -0.82 -2.03 116.97 113.79 3imf h TYR 227 Ca 0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3imf h TYR 227 Cb 0.27 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 3imf h TYR 227 CO 0.01 -0.06 0.08 -0.07 -1.64 0.00 0.00 178.16 176.49 3imf h LEU 228 N 0.07 0.00 -0.28 2.82 3.38 -1.00 -0.15 115.31 120.15 3imf h LEU 228 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3imf h LEU 228 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3imf h LEU 228 CO -0.23 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 177.98 3imf s SER 230 N -2.69 5.47 0.42 0.00 1.04 -0.07 -4.95 113.70 112.91 3imf s SER 230 Ca 0.20 1.61 0.10 0.00 0.48 0.00 0.00 55.95 58.34 3imf s SER 230 Cb 0.19 -2.49 0.89 0.00 0.10 0.00 0.00 66.02 64.70 3imf s SER 230 CO 0.58 -1.38 1.99 0.44 0.98 0.00 0.00 173.24 175.85 3imf h ASP 231 N -0.64 0.23 0.86 7.02 3.32 -1.92 -2.14 116.42 123.15 3imf h ASP 231 Ca -0.44 -0.03 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 0.57 0.30 0.00 1.05 -1.72 0.00 0.00 179.24 179.45 3imf h GLU 232 N 0.25 0.00 -0.61 3.56 4.11 -1.92 -2.40 114.58 117.56 3imf h GLU 232 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3imf h GLU 232 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3imf h GLU 232 CO 0.01 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.09 3imf n ALA 233 N -1.87 2.68 0.24 1.06 0.00 -0.80 -4.60 120.51 117.22 3imf n ALA 233 Ca 0.02 -1.16 0.18 0.00 0.00 0.00 0.00 53.44 52.48 3imf n ALA 233 Cb 0.26 -0.99 0.86 0.00 0.00 0.00 0.00 19.45 19.58 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 3.99 1.62 -0.01 0.00 0.00 -1.49 -0.17 119.26 123.20 3imf h ALA 234 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3imf h ALA 234 Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3imf h ALA 234 CO 0.09 -0.35 -0.24 0.98 0.00 0.00 0.00 179.25 179.73 3imf n TYR 235 N -3.40 0.00 -2.74 0.00 9.36 -1.26 -4.84 117.16 114.28 3imf n TYR 235 Ca 0.01 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.81 3imf n TYR 235 Cb 0.37 -0.05 -0.03 0.00 -0.63 0.00 0.00 39.34 39.01 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 -2.33 4.77 -0.23 2.97 1.01 -0.08 -5.00 121.20 122.30 3imf s ILE 236 Ca 0.26 1.90 -0.14 0.00 0.00 0.00 0.00 60.65 62.67 3imf s ILE 236 Cb 0.19 -4.26 0.07 0.00 0.01 0.00 0.00 42.46 38.48 3imf s ILE 236 CO 0.47 -0.08 0.58 0.21 0.00 0.00 0.00 174.94 176.12 3imf s ASN 237 N 1.18 -0.75 -0.30 3.58 2.47 -1.26 -4.78 114.94 115.09 3imf s ASN 237 Ca 0.43 1.25 0.00 0.00 0.42 0.00 0.00 52.86 54.96 3imf s ASN 237 Cb -0.16 1.14 0.00 0.00 -1.45 0.00 0.00 41.25 40.78 3imf s ASN 237 CO 0.11 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.88 3imf n GLY 238 N 4.09 0.38 3.50 1.21 0.00 0.87 -4.99 105.19 110.26 3imf n GLY 238 Ca -0.20 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.15 1.52 0.00 2.61 -1.32 -1.26 -4.72 115.64 110.33 3imf s THR 239 Ca 0.00 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.46 3imf s THR 239 Cb 0.00 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.18 3imf s THR 239 CO 0.00 -0.04 0.00 0.00 -2.21 0.00 0.00 174.62 172.37 3imf n THR 242 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -4.92 114.28 107.05 3imf n THR 242 Ca 0.00 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 3imf n THR 242 Cb 0.00 0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 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 -1.19 0.00 0.00 8.00 5.75 -1.26 -4.94 116.55 122.91 3imf n ASP 244 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 3imf n ASP 244 Cb 0.29 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.25 0.48 6.12 0.00 -1.26 -1.33 105.19 109.45 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 -1.01 0.87 0.33 -0.02 0.00 -1.26 -3.14 105.19 100.95 3imf n GLY 246 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 3.35 0.89 0.00 1.61 4.15 -1.44 -2.79 115.11 120.89 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 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.49 3imf h GLN 247 CO 0.00 0.59 0.00 -2.39 -1.93 0.00 0.00 178.83 175.10 3imf n HIS 248 N -4.66 0.46 -1.75 3.99 1.44 -1.26 -4.81 115.22 108.63 3imf n HIS 248 Ca 0.14 0.17 -0.31 0.00 -2.01 0.00 0.00 57.72 55.71 3imf n HIS 248 Cb 0.25 -0.78 0.03 0.00 0.12 0.00 0.00 29.99 29.61 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 -3.82 3.20 0.20 2.39 1.43 -1.05 -4.98 118.68 116.05 3imf s LEU 249 Ca 0.07 1.52 -0.31 0.00 -1.03 0.00 0.00 54.13 54.38 3imf s LEU 249 Cb 0.11 -4.48 -0.11 0.00 0.03 0.00 0.00 46.19 41.73 3imf s LEU 249 CO 0.39 -1.13 1.62 -1.00 0.23 0.00 0.00 176.35 176.46 3imf s HIS 250 N -3.08 2.97 -0.34 0.29 3.76 -1.26 -4.90 115.29 112.73 3imf s HIS 250 Ca 0.57 0.55 0.23 0.00 -0.15 0.00 0.00 55.06 56.25 3imf s HIS 250 Cb -0.12 -4.02 -0.06 0.00 1.11 0.00 0.00 32.58 29.49 3imf s HIS 250 CO 0.53 -3.75 0.91 1.04 -0.85 0.00 0.00 174.74 172.62 3imf n GLN 251 N 3.71 0.49 -4.06 1.40 1.13 -1.26 -4.93 117.38 113.86 3imf n GLN 251 Ca 0.14 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.12 3imf n GLN 251 Cb 0.37 -1.66 -0.10 0.00 0.11 0.00 0.00 30.24 28.95 3imf n GLN 251 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 3imf s TYR 252 N -3.33 0.44 -0.05 1.08 1.13 -1.26 -5.19 117.35 110.17 3imf s TYR 252 Ca -0.01 -0.91 0.00 0.00 -1.41 0.00 0.00 57.07 54.75 3imf s TYR 252 Cb 0.12 -0.33 0.00 0.00 -1.10 0.00 0.00 41.96 40.65 3imf s TYR 252 CO 0.82 -0.32 0.01 -2.30 -2.51 0.00 0.00 175.55 171.25