#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpa n HIS 0 N 0.00 0.81 -1.02 7.33 8.25 -1.26 -4.94 115.22 124.40 3fpa n HIS 0 Ca 0.00 0.27 -0.33 0.00 -0.26 0.00 0.00 57.72 57.40 3fpa n HIS 0 Cb 0.00 -1.14 0.13 0.00 1.12 0.00 0.00 29.99 30.10 3fpa n HIS 0 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3fpa s MET 1 N -2.57 1.51 -0.08 -0.41 1.00 -1.21 -4.33 119.30 113.21 3fpa s MET 1 Ca -0.09 1.66 -0.13 0.00 0.00 0.00 0.00 55.69 57.13 3fpa s MET 1 Cb 0.07 -1.77 -0.05 0.00 0.00 0.00 0.00 34.83 33.08 3fpa s MET 1 CO 0.81 -2.29 0.31 -0.08 0.00 0.00 0.00 175.02 173.77 3fpa s THR 2 N -2.34 5.23 -0.12 2.05 -1.32 -0.80 -5.00 115.64 113.34 3fpa s THR 2 Ca 0.70 0.61 0.03 0.00 -1.21 0.00 0.00 61.69 61.82 3fpa s THR 2 Cb -0.26 -3.62 0.01 0.00 -1.51 0.00 0.00 72.50 67.12 3fpa s THR 2 CO 0.53 0.52 -0.21 -0.63 -2.21 0.00 0.00 174.62 172.61 3fpa s ILE 3 N -0.50 1.95 -0.19 5.08 1.01 -1.26 -1.20 121.20 126.09 3fpa s ILE 3 Ca 0.19 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 3fpa s ILE 3 Cb -0.14 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 3fpa s ILE 3 CO 0.08 0.53 -0.10 -0.76 0.00 0.00 0.00 174.94 174.69 3fpa s LEU 4 N 0.73 2.69 0.04 2.97 1.43 -0.31 -2.84 118.68 123.40 3fpa s LEU 4 Ca -0.10 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.34 3fpa s LEU 4 Cb -0.16 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 3fpa s LEU 4 CO 0.01 0.03 0.71 0.68 0.23 0.00 0.00 176.35 178.00 3fpa s VAL 5 N 1.18 4.75 -0.37 -1.59 -7.23 -0.15 -1.31 120.40 115.68 3fpa s VAL 5 Ca 0.02 1.51 -0.08 0.00 -1.81 0.00 0.00 61.98 61.62 3fpa s VAL 5 Cb -0.14 -4.06 0.05 0.00 0.56 0.00 0.00 36.38 32.79 3fpa s VAL 5 CO -0.03 0.40 0.17 -0.69 -0.31 0.00 0.00 175.10 174.64 3fpa s VAL 6 N -0.24 4.00 0.15 1.32 1.01 0.40 -0.27 120.40 126.78 3fpa s VAL 6 Ca 0.36 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3fpa s VAL 6 Cb -0.20 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3fpa s VAL 6 CO 0.21 -0.30 0.12 1.07 0.00 0.00 0.00 175.10 176.20 3fpa n THR 7 N 4.86 0.00 -3.87 3.92 5.66 -0.29 -2.08 114.28 122.49 3fpa n THR 7 Ca -0.11 -0.61 -0.09 0.00 -3.05 0.00 0.00 64.05 60.19 3fpa n THR 7 Cb 0.44 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 3fpa n THR 7 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3fpa s GLY 8 N -2.29 0.43 0.00 1.09 0.00 -1.26 -1.42 107.32 103.87 3fpa s GLY 8 Ca 0.09 -0.77 0.30 0.00 0.00 0.00 0.00 44.72 44.34 3fpa s GLY 8 CO 0.06 -0.38 2.06 -1.30 0.00 0.00 0.00 173.10 173.54 3fpa n THR 9 N -0.51 0.01 -3.54 0.90 -2.24 -0.92 -3.61 114.28 104.36 3fpa n THR 9 Ca -0.06 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3fpa n THR 9 Cb 0.60 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3fpa n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fpa n GLY 10 N 1.02 -0.81 3.88 3.38 0.00 -1.26 -4.79 105.19 106.60 3fpa n GLY 10 Ca 0.22 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 3fpa n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fpa s THR 11 N -3.00 4.85 -0.65 2.61 -1.32 -1.26 -3.95 115.64 112.92 3fpa s THR 11 Ca 0.00 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 3fpa s THR 11 Cb 0.00 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 3fpa s THR 11 CO 0.00 -0.33 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 3fpa n GLY 12 N -0.83 0.53 0.00 6.08 0.00 -1.26 -4.93 105.19 104.80 3fpa n GLY 12 Ca 0.01 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.45 3fpa n GLY 12 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fpa n VAL 13 N -3.35 0.01 0.00 1.61 0.24 -1.26 -4.98 118.33 110.60 3fpa n VAL 13 Ca -0.07 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3fpa n VAL 13 Cb 0.37 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 3fpa n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fpa n GLY 14 N 1.44 1.58 0.20 7.63 0.00 -1.26 -3.80 105.19 110.97 3fpa n GLY 14 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 3fpa n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fpa h LYS 15 N 0.45 0.24 -0.09 1.61 1.57 -1.93 -0.74 116.57 117.69 3fpa h LYS 15 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3fpa h LYS 15 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3fpa h LYS 15 CO 0.00 0.16 0.02 1.15 -0.57 0.00 0.00 179.45 180.21 3fpa h THR 16 N 0.25 1.19 0.00 -0.16 2.02 -1.96 -1.04 112.91 113.21 3fpa h THR 16 Ca 0.24 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 3fpa h THR 16 Cb 0.32 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3fpa h THR 16 CO -0.31 0.17 -0.40 1.62 0.37 0.00 0.00 175.52 176.97 3fpa h VAL 17 N -0.06 1.08 -0.39 3.16 3.04 -1.93 -0.56 116.25 120.59 3fpa h VAL 17 Ca 0.03 -1.46 -0.13 0.00 -1.01 0.00 0.00 66.70 64.13 3fpa h VAL 17 Cb 0.24 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 3fpa h VAL 17 CO 0.00 0.39 -0.28 0.58 -1.01 0.00 0.00 177.57 177.25 3fpa h VAL 18 N 0.00 1.27 -0.15 1.51 2.07 -1.00 0.29 116.25 120.24 3fpa h VAL 18 Ca -0.00 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 3fpa h VAL 18 Cb 0.80 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3fpa h VAL 18 CO 0.05 0.48 0.09 0.00 0.02 0.00 0.00 177.57 178.21 3fpa h ALA 20 N 1.02 0.19 -0.50 0.00 0.00 -0.99 0.94 119.26 119.91 3fpa h ALA 20 Ca 0.05 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3fpa h ALA 20 Cb 0.02 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fpa h ALA 20 CO -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 179.25 178.80 3fpa h ALA 21 N 1.24 0.67 -0.21 0.00 0.00 -0.72 0.04 119.26 120.28 3fpa h ALA 21 Ca 0.12 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3fpa h ALA 21 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fpa h ALA 21 CO -0.24 0.47 -0.51 1.25 0.00 0.00 0.00 179.25 180.22 3fpa h LEU 22 N 0.74 0.66 -0.36 0.00 5.85 -0.84 -1.04 115.31 120.32 3fpa h LEU 22 Ca 0.14 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3fpa h LEU 22 Cb 0.50 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3fpa h LEU 22 CO 0.02 1.05 0.20 0.00 -0.34 0.00 0.00 178.44 179.38 3fpa h ALA 23 N 0.96 0.46 -0.69 1.25 0.00 -0.49 0.25 119.26 121.00 3fpa h ALA 23 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3fpa h ALA 23 Cb 1.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3fpa h ALA 23 CO 0.10 -0.02 0.27 1.03 0.00 0.00 0.00 179.25 180.63 3fpa h SER 24 N 0.46 0.94 -0.33 0.00 0.87 -0.87 -0.57 113.55 114.05 3fpa h SER 24 Ca 0.13 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 3fpa h SER 24 Cb 0.04 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3fpa h SER 24 CO -0.02 0.84 -0.28 0.00 -0.53 0.00 0.00 176.83 176.84 3fpa h ALA 25 N 1.29 0.48 -0.03 6.23 0.00 -0.91 -2.43 119.26 123.90 3fpa h ALA 25 Ca 0.23 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3fpa h ALA 25 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fpa h ALA 25 CO -0.02 0.50 0.02 0.00 0.00 0.00 0.00 179.25 179.75 3fpa h ALA 26 N 0.75 0.03 -0.61 0.00 0.00 -0.34 -2.56 119.26 116.53 3fpa h ALA 26 Ca 0.06 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.07 3fpa h ALA 26 Cb 0.85 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 3fpa h ALA 26 CO 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.88 3fpa h ARG 27 N -0.01 0.11 0.00 0.00 3.08 -1.15 -1.08 114.38 115.33 3fpa h ARG 27 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fpa h ARG 27 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3fpa h ARG 27 CO -0.00 0.08 0.00 1.96 -1.07 0.00 0.00 179.97 180.93 3fpa h GLN 28 N 0.12 0.00 -0.54 0.04 4.20 -1.27 -0.43 115.11 117.23 3fpa h GLN 28 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3fpa h GLN 28 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3fpa h GLN 28 CO -0.52 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.64 3fpa n ALA 29 N -1.90 2.49 -1.04 3.87 0.00 -0.55 -4.92 120.51 118.45 3fpa n ALA 29 Ca -0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 53.44 52.47 3fpa n ALA 29 Cb 0.17 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3fpa n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpa n GLY 30 N 1.28 0.51 3.79 0.00 0.00 -0.17 -4.98 105.19 105.61 3fpa n GLY 30 Ca 0.18 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 3fpa n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fpa s ILE 31 N -2.03 5.06 -0.29 -0.61 1.01 -0.52 -5.00 121.20 118.83 3fpa s ILE 31 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 3fpa s ILE 31 Cb 0.00 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.71 3fpa s ILE 31 CO 0.00 0.47 1.18 -0.62 0.00 0.00 0.00 174.94 175.97 3fpa s ASP 32 N -0.38 6.85 -0.10 3.58 2.15 -1.26 -3.78 116.67 123.73 3fpa s ASP 32 Ca 0.25 1.19 -0.01 0.00 0.43 0.00 0.00 52.55 54.41 3fpa s ASP 32 Cb -0.16 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 3fpa s ASP 32 CO 0.12 -0.93 -0.06 -0.69 -0.17 0.00 0.00 175.17 173.44 3fpa s VAL 33 N 3.88 3.74 0.12 1.11 1.01 -1.26 -0.25 120.40 128.75 3fpa s VAL 33 Ca 0.50 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.14 3fpa s VAL 33 Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3fpa s VAL 33 CO 0.18 0.56 -0.25 0.00 0.00 0.00 0.00 175.10 175.59 3fpa s ALA 34 N -0.40 2.23 -0.03 5.51 0.00 0.60 -4.65 121.76 125.01 3fpa s ALA 34 Ca 0.06 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.68 3fpa s ALA 34 Cb -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 3fpa s ALA 34 CO 0.02 0.50 -0.21 0.08 0.00 0.00 0.00 175.76 176.15 3fpa s VAL 35 N -1.06 1.68 -0.02 0.00 1.01 -0.51 -0.99 120.40 120.51 3fpa s VAL 35 Ca 0.12 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3fpa s VAL 35 Cb -0.10 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3fpa s VAL 35 CO 0.05 0.48 -0.15 0.00 0.00 0.00 0.00 175.10 175.48 3fpa s LYS 37 N -0.13 1.02 0.30 0.00 2.47 -0.03 -1.09 119.74 122.28 3fpa s LYS 37 Ca 0.01 -1.82 -0.01 0.00 -1.56 0.00 0.00 55.97 52.59 3fpa s LYS 37 Cb -0.08 -1.90 0.48 0.00 -1.46 0.00 0.00 37.83 34.87 3fpa s LYS 37 CO 0.00 -1.21 1.91 -1.35 0.16 0.00 0.00 175.35 174.87 3fpa h PRO 38 N 6.66 0.90 -3.67 4.03 0.11 -1.79 -3.24 132.00 134.99 3fpa h PRO 38 Ca 0.05 -0.11 -0.46 0.00 0.11 0.00 0.00 66.00 65.59 3fpa h PRO 38 Cb 0.93 -0.17 -0.39 0.00 0.11 0.00 0.00 31.00 31.48 3fpa h PRO 38 CO 0.40 0.69 -0.77 0.08 -0.21 0.00 0.00 178.00 178.19 3fpa s VAL 39 N -5.54 0.44 -0.15 3.15 1.01 -1.26 -1.07 120.40 116.98 3fpa s VAL 39 Ca -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3fpa s VAL 39 Cb 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3fpa s VAL 39 CO 0.79 0.13 -0.18 -1.58 0.00 0.00 0.00 175.10 174.25 3fpa s GLN 40 N 1.93 3.12 0.50 2.72 2.00 -0.07 -4.53 119.66 125.34 3fpa s GLN 40 Ca 0.03 -0.80 0.05 0.00 -2.00 0.00 0.00 55.36 52.64 3fpa s GLN 40 Cb -0.14 -2.55 0.00 0.00 0.80 0.00 0.00 33.01 31.13 3fpa s GLN 40 CO -0.06 -0.02 0.26 0.95 -0.50 0.00 0.00 175.29 175.92 3fpa s THR 41 N 0.87 1.72 0.00 -0.34 -4.23 -1.26 0.27 115.64 112.68 3fpa s THR 41 Ca -0.05 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 3fpa s THR 41 Cb -0.15 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.32 3fpa s THR 41 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3fpa n GLY 42 N -1.53 0.49 0.31 3.99 0.00 -0.90 -4.80 105.19 102.75 3fpa n GLY 42 Ca -0.05 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.51 3fpa n GLY 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fpa h THR 43 N 0.00 0.98 -0.07 2.61 1.35 -0.85 -1.14 112.91 115.79 3fpa h THR 43 Ca 0.00 -0.10 0.02 0.00 -0.55 0.00 0.00 66.41 65.78 3fpa h THR 43 Cb 0.00 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 67.08 3fpa h THR 43 CO 0.00 0.05 0.06 0.00 -0.25 0.00 0.00 175.52 175.38 3fpa h ALA 44 N 1.81 1.88 0.00 6.62 0.00 -1.11 -0.55 119.26 127.90 3fpa h ALA 44 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fpa h ALA 44 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fpa h ALA 44 CO -0.03 -0.09 -0.68 -0.09 0.00 0.00 0.00 179.25 178.36 3fpa h ARG 45 N 0.00 0.00 0.00 0.00 2.43 -1.42 -3.48 114.38 111.92 3fpa h ARG 45 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3fpa h ARG 45 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3fpa h ARG 45 CO -0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 3fpa n GLY 46 N 1.32 1.01 3.70 2.80 0.00 -0.21 -5.10 105.19 108.71 3fpa n GLY 46 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3fpa n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fpa s ASP 47 N -1.05 6.79 -0.30 1.61 -0.00 -0.95 -4.97 116.67 117.81 3fpa s ASP 47 Ca 0.00 2.27 0.01 0.00 -0.00 0.00 0.00 52.55 54.83 3fpa s ASP 47 Cb 0.00 -2.57 0.15 0.00 -0.00 0.00 0.00 42.92 40.50 3fpa s ASP 47 CO 0.00 -0.73 0.35 -0.62 -0.00 0.00 0.00 175.17 174.17 3fpa s ASP 48 N 1.68 1.13 0.11 0.27 3.68 -1.26 -4.21 116.67 118.08 3fpa s ASP 48 Ca 0.66 -0.75 -0.15 0.00 2.13 0.00 0.00 52.55 54.44 3fpa s ASP 48 Cb -0.35 0.73 -0.05 0.00 -1.45 0.00 0.00 42.92 41.80 3fpa s ASP 48 CO 0.29 -0.36 1.49 0.44 0.13 0.00 0.00 175.17 177.17 3fpa h ASP 49 N 8.04 0.73 -0.12 -0.34 5.19 -1.94 0.66 116.42 128.64 3fpa h ASP 49 Ca -0.09 -0.39 0.04 0.00 -0.62 0.00 0.00 57.03 55.97 3fpa h ASP 49 Cb 1.09 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 40.35 3fpa h ASP 49 CO 0.29 0.96 -0.19 -0.07 -3.12 0.00 0.00 179.24 177.11 3fpa h LEU 50 N 0.50 -0.59 -1.05 1.55 4.07 -1.96 -1.36 115.31 116.48 3fpa h LEU 50 Ca 0.08 0.10 0.05 0.00 0.08 0.00 0.00 57.88 58.19 3fpa h LEU 50 Cb 0.67 0.27 -0.06 0.00 1.08 0.00 0.00 40.66 42.62 3fpa h LEU 50 CO 0.05 -0.24 0.64 0.00 -1.08 0.00 0.00 178.44 177.80 3fpa h ALA 51 N 0.76 1.39 -0.57 1.53 0.00 -1.89 -2.03 119.26 118.45 3fpa h ALA 51 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3fpa h ALA 51 Cb 0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fpa h ALA 51 CO -0.27 0.49 0.09 1.49 0.00 0.00 0.00 179.25 181.06 3fpa h GLU 52 N 1.20 0.92 -0.48 0.00 4.81 -0.51 -2.51 114.58 118.01 3fpa h GLU 52 Ca 0.40 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3fpa h GLU 52 Cb 0.07 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3fpa h GLU 52 CO -0.14 0.85 0.13 0.28 -0.73 0.00 0.00 179.01 179.41 3fpa h VAL 53 N 0.87 1.20 -0.32 0.32 2.07 -0.53 -1.79 116.25 118.08 3fpa h VAL 53 Ca 0.18 -0.70 -0.17 0.00 0.82 0.00 0.00 66.70 66.83 3fpa h VAL 53 Cb 0.39 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3fpa h VAL 53 CO 0.01 0.26 -0.48 1.23 0.02 0.00 0.00 177.57 178.61 3fpa h GLY 54 N 0.88 0.96 1.01 2.17 0.00 -1.26 -0.06 103.07 106.77 3fpa h GLY 54 Ca 0.16 -1.07 -0.05 0.00 0.00 0.00 0.00 47.33 46.37 3fpa h GLY 54 CO -0.01 0.97 0.19 -0.09 0.00 0.00 0.00 176.54 177.60 3fpa h ARG 55 N 0.67 0.93 0.13 4.80 2.43 -1.29 -0.62 114.38 121.43 3fpa h ARG 55 Ca 0.03 -0.20 -0.26 0.00 -0.81 0.00 0.00 59.98 58.74 3fpa h ARG 55 Cb 1.08 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3fpa h ARG 55 CO 0.11 0.83 -1.28 -0.07 -1.51 0.00 0.00 179.97 178.05 3fpa h LEU 56 N 0.85 0.45 0.00 3.80 3.38 -1.31 -3.42 115.31 119.06 3fpa h LEU 56 Ca 0.19 -0.89 -0.18 0.00 0.09 0.00 0.00 57.88 57.10 3fpa h LEU 56 Cb 0.28 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3fpa h LEU 56 CO -0.01 1.57 -1.98 0.00 0.09 0.00 0.00 178.44 178.12 3fpa n ALA 57 N -2.87 2.00 -0.60 1.53 0.00 -0.04 -4.59 120.51 115.95 3fpa n ALA 57 Ca -0.22 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3fpa n ALA 57 Cb 0.90 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3fpa n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpa n GLY 58 N 1.82 0.65 3.80 0.00 0.00 -0.24 -4.72 105.19 106.50 3fpa n GLY 58 Ca -0.17 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3fpa n GLY 58 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fpa s VAL 59 N -2.00 4.45 -0.02 1.61 -7.23 -1.25 -4.96 120.40 110.99 3fpa s VAL 59 Ca 0.00 1.46 0.03 0.00 -1.81 0.00 0.00 61.98 61.67 3fpa s VAL 59 Cb 0.00 -3.91 -0.05 0.00 0.56 0.00 0.00 36.38 32.98 3fpa s VAL 59 CO 0.00 0.19 0.08 0.35 -0.31 0.00 0.00 175.10 175.41 3fpa n THR 60 N 0.67 0.00 -2.70 5.32 -2.24 -1.26 -4.40 114.28 109.67 3fpa n THR 60 Ca -0.01 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 3fpa n THR 60 Cb 0.51 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 3fpa n THR 60 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fpa s GLN 61 N -2.13 3.75 -0.08 -0.78 -1.52 -1.26 -4.94 119.66 112.71 3fpa s GLN 61 Ca -0.01 -1.68 0.04 0.00 -1.95 0.00 0.00 55.36 51.76 3fpa s GLN 61 Cb 0.02 -5.26 -0.01 0.00 -0.22 0.00 0.00 33.01 27.54 3fpa s GLN 61 CO 0.14 -2.06 -0.21 -0.51 -0.25 0.00 0.00 175.29 172.41 3fpa s LEU 62 N 3.80 2.32 -0.10 2.90 1.43 -1.26 -1.43 118.68 126.35 3fpa s LEU 62 Ca 0.44 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3fpa s LEU 62 Cb -0.01 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.78 3fpa s LEU 62 CO -0.04 0.23 -0.06 0.00 0.23 0.00 0.00 176.35 176.71 3fpa s ALA 63 N -0.08 1.17 0.41 4.21 0.00 -0.37 -4.99 121.76 122.12 3fpa s ALA 63 Ca -0.05 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 51.55 3fpa s ALA 63 Cb -0.14 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.08 3fpa s ALA 63 CO 0.04 -0.36 0.03 0.20 0.00 0.00 0.00 175.76 175.67 3fpa s GLY 64 N 1.62 2.51 0.00 0.00 0.00 -1.26 -0.85 107.32 109.34 3fpa s GLY 64 Ca 0.02 -2.22 0.00 0.00 0.00 0.00 0.00 44.72 42.52 3fpa s GLY 64 CO -0.06 -2.08 0.00 -0.10 0.00 0.00 0.00 173.10 170.85 3fpa n LEU 65 N -1.01 0.00 -4.81 0.66 0.00 -1.22 -4.95 117.00 105.67 3fpa n LEU 65 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.58 3fpa n LEU 65 Cb 0.67 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 44.03 3fpa n LEU 65 CO 0.48 0.00 0.19 0.00 0.00 0.00 0.00 177.39 178.06 3fpa s ALA 66 N -2.00 3.62 -0.04 1.96 0.00 -0.23 -5.02 121.76 120.03 3fpa s ALA 66 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 3fpa s ALA 66 Cb 0.00 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.61 3fpa s ALA 66 CO 0.00 0.37 0.02 1.03 0.00 0.00 0.00 175.76 177.18 3fpa s ARG 67 N -0.82 0.30 0.09 0.00 0.52 -1.26 -0.89 118.95 116.89 3fpa s ARG 67 Ca 0.26 0.16 0.09 0.00 -0.52 0.00 0.00 55.73 55.72 3fpa s ARG 67 Cb -0.18 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.63 3fpa s ARG 67 CO 0.15 -0.23 -0.22 0.71 0.02 0.00 0.00 175.30 175.73 3fpa s TYR 68 N 1.58 1.93 0.01 -0.53 2.02 0.14 -4.99 117.35 117.52 3fpa s TYR 68 Ca -0.02 -0.40 -0.25 0.00 -0.37 0.00 0.00 57.07 56.03 3fpa s TYR 68 Cb -0.13 -1.09 -0.16 0.00 -0.40 0.00 0.00 41.96 40.18 3fpa s TYR 68 CO -0.03 0.19 1.23 -1.35 -1.57 0.00 0.00 175.55 174.02 3fpa h PRO 69 N 4.33 -0.49 -6.82 -1.71 0.11 -1.87 -2.32 132.00 123.24 3fpa h PRO 69 Ca -0.46 0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.18 3fpa h PRO 69 Cb 1.17 0.11 0.02 0.00 0.11 0.00 0.00 31.00 32.42 3fpa h PRO 69 CO 0.41 -0.19 0.50 -0.65 -0.21 0.00 0.00 178.00 177.87 3fpa s GLN 70 N -4.73 4.59 -1.56 1.05 -1.52 -1.26 -0.61 119.66 115.63 3fpa s GLN 70 Ca -0.14 1.87 -0.11 0.00 -1.95 0.00 0.00 55.36 55.03 3fpa s GLN 70 Cb 0.02 -3.17 -0.04 0.00 -0.22 0.00 0.00 33.01 29.61 3fpa s GLN 70 CO 0.53 0.15 2.71 -0.35 -0.25 0.00 0.00 175.29 178.07 3fpa n PRO 71 N 1.13 3.55 -4.32 2.91 -0.04 -1.26 -2.22 135.00 134.75 3fpa n PRO 71 Ca -0.01 -2.43 -0.26 0.00 -0.04 0.00 0.00 63.50 60.76 3fpa n PRO 71 Cb 0.44 -2.92 -0.08 0.00 -0.04 0.00 0.00 33.50 30.90 3fpa n PRO 71 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3fpa s MET 72 N 2.16 2.14 0.34 0.54 -1.94 -1.26 -4.92 119.30 116.36 3fpa s MET 72 Ca 0.62 -1.98 -0.27 0.00 -1.71 0.00 0.00 55.69 52.35 3fpa s MET 72 Cb 0.17 -1.84 -0.12 0.00 2.01 0.00 0.00 34.83 35.04 3fpa s MET 72 CO -0.07 -0.15 1.07 0.00 -0.01 0.00 0.00 175.02 175.87 3fpa n ALA 73 N -1.19 0.26 -0.33 3.03 0.00 -1.26 -4.57 120.51 116.45 3fpa n ALA 73 Ca -0.04 0.33 0.22 0.00 0.00 0.00 0.00 53.44 53.95 3fpa n ALA 73 Cb 0.65 -2.09 0.41 0.00 0.00 0.00 0.00 19.45 18.43 3fpa n ALA 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3fpa h PRO 74 N 1.97 0.01 -0.51 0.00 0.11 -1.95 -0.27 132.00 131.36 3fpa h PRO 74 Ca -0.43 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 3fpa h PRO 74 Cb 1.33 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3fpa h PRO 74 CO 0.60 0.01 -0.08 0.00 -0.21 0.00 0.00 178.00 178.31 3fpa h ALA 75 N 1.99 0.89 0.00 -0.75 0.00 -1.89 -0.46 119.26 119.04 3fpa h ALA 75 Ca 0.70 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 55.09 3fpa h ALA 75 Cb 1.65 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 19.26 3fpa h ALA 75 CO -0.86 0.64 -0.78 0.00 0.00 0.00 0.00 179.25 178.26 3fpa h ALA 76 N 1.06 0.09 -0.47 0.00 0.00 -1.59 -1.88 119.26 116.47 3fpa h ALA 76 Ca 0.14 -0.62 0.07 0.00 0.00 0.00 0.00 54.91 54.50 3fpa h ALA 76 Cb 0.61 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3fpa h ALA 76 CO 0.04 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.91 3fpa h ALA 77 N 0.35 0.55 -0.55 0.00 0.00 -1.03 -0.21 119.26 118.36 3fpa h ALA 77 Ca -0.10 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3fpa h ALA 77 Cb 1.47 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3fpa h ALA 77 CO 0.15 -0.26 -0.08 0.00 0.00 0.00 0.00 179.25 179.06 3fpa h ALA 78 N 1.33 0.81 -0.55 0.00 0.00 -1.09 -2.50 119.26 117.26 3fpa h ALA 78 Ca 0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3fpa h ALA 78 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fpa h ALA 78 CO -0.26 0.67 0.22 1.49 0.00 0.00 0.00 179.25 181.37 3fpa h GLU 79 N 0.92 0.82 -0.24 0.00 4.81 -1.11 0.41 114.58 120.19 3fpa h GLU 79 Ca 0.15 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3fpa h GLU 79 Cb 0.63 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3fpa h GLU 79 CO 0.04 0.71 -0.11 1.25 -0.73 0.00 0.00 179.01 180.17 3fpa h HIS 80 N 0.75 0.42 -0.00 0.92 2.76 -0.95 -2.51 115.15 116.53 3fpa h HIS 80 Ca 0.18 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3fpa h HIS 80 Cb 0.19 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3fpa h HIS 80 CO 0.01 0.50 -0.12 0.00 -1.30 0.00 0.00 177.93 177.02 3fpa n ALA 81 N -2.48 2.79 -1.36 5.26 0.00 -0.95 -4.92 120.51 118.84 3fpa n ALA 81 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.09 3fpa n ALA 81 Cb 0.29 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 3fpa n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpa n GLY 82 N 1.27 0.64 3.69 0.00 0.00 -0.80 -5.03 105.19 104.95 3fpa n GLY 82 Ca 0.15 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 3fpa n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3fpa s MET 83 N -2.84 2.19 0.34 1.61 -1.94 0.14 -5.01 119.30 113.79 3fpa s MET 83 Ca 0.00 -1.74 -0.06 0.00 -1.71 0.00 0.00 55.69 52.18 3fpa s MET 83 Cb 0.00 -1.99 -0.05 0.00 2.01 0.00 0.00 34.83 34.79 3fpa s MET 83 CO 0.00 0.05 0.63 0.00 -0.01 0.00 0.00 175.02 175.69 3fpa s ALA 84 N -2.53 3.53 0.60 3.03 0.00 -1.26 -4.10 121.76 121.03 3fpa s ALA 84 Ca 0.37 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 3fpa s ALA 84 Cb 0.01 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 3fpa s ALA 84 CO 0.21 0.11 1.11 -0.51 0.00 0.00 0.00 175.76 176.67 3fpa s LEU 85 N -3.78 3.57 0.71 0.00 1.43 -1.26 -4.95 118.68 114.40 3fpa s LEU 85 Ca 0.46 2.04 -0.15 0.00 -1.03 0.00 0.00 54.13 55.45 3fpa s LEU 85 Cb -0.10 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.58 3fpa s LEU 85 CO 0.32 -1.36 1.16 -2.16 0.23 0.00 0.00 176.35 174.54 3fpa s PRO 86 N -3.73 2.38 0.57 1.29 0.04 -1.26 -4.87 135.00 129.42 3fpa s PRO 86 Ca 0.69 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 63.11 3fpa s PRO 86 Cb -0.21 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3fpa s PRO 86 CO 0.34 -1.61 1.12 0.00 0.04 0.00 0.00 177.00 176.89 3fpa s ALA 87 N -2.20 2.64 0.13 8.56 0.00 -1.26 -4.16 121.76 125.47 3fpa s ALA 87 Ca 0.70 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 53.17 3fpa s ALA 87 Cb -0.25 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 3fpa s ALA 87 CO 0.44 -0.89 1.64 -0.09 0.00 0.00 0.00 175.76 176.86 3fpa h ARG 88 N 0.90 -0.29 0.00 0.00 2.43 -1.94 -2.68 114.38 112.80 3fpa h ARG 88 Ca -0.49 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3fpa h ARG 88 Cb 1.26 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3fpa h ARG 88 CO 0.56 -0.19 0.00 0.38 -1.51 0.00 0.00 179.97 179.21 3fpa h ASP 89 N -0.30 0.00 0.14 -3.80 3.04 -1.99 -1.99 116.42 111.53 3fpa h ASP 89 Ca 0.09 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.88 3fpa h ASP 89 Cb 0.43 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 3fpa h ASP 89 CO -0.28 0.00 -0.07 -0.61 -2.04 0.00 0.00 179.24 176.24 3fpa h GLN 90 N 0.00 -0.19 -0.36 4.15 5.75 -1.87 0.57 115.11 123.16 3fpa h GLN 90 Ca 0.00 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3fpa h GLN 90 Cb 0.15 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 3fpa h GLN 90 CO 0.00 0.12 0.20 0.82 -2.65 0.00 0.00 178.83 177.32 3fpa h ILE 91 N -0.49 1.02 -0.75 2.39 2.04 -1.28 0.48 117.51 120.92 3fpa h ILE 91 Ca -0.02 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 3fpa h ILE 91 Cb 0.39 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3fpa h ILE 91 CO 0.03 0.07 0.25 0.58 0.00 0.00 0.00 178.15 179.08 3fpa h VAL 92 N 0.41 1.26 -0.25 1.67 2.07 -1.49 -1.68 116.25 118.25 3fpa h VAL 92 Ca 0.15 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3fpa h VAL 92 Cb 0.03 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3fpa h VAL 92 CO -0.08 0.35 0.10 0.03 0.02 0.00 0.00 177.57 177.99 3fpa h ARG 93 N 1.11 0.37 -0.49 1.57 2.47 -0.65 0.16 114.38 118.92 3fpa h ARG 93 Ca 0.24 -0.07 0.10 0.00 -1.26 0.00 0.00 59.98 58.99 3fpa h ARG 93 Cb 0.29 -0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 28.46 3fpa h ARG 93 CO -0.01 0.41 -0.01 1.25 0.56 0.00 0.00 179.97 182.17 3fpa h LEU 94 N 0.25 -0.23 -0.10 3.04 6.46 -0.62 0.32 115.31 124.43 3fpa h LEU 94 Ca 0.08 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 3fpa h LEU 94 Cb 0.18 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 3fpa h LEU 94 CO -0.01 -0.08 -0.04 0.40 -0.62 0.00 0.00 178.44 178.10 3fpa h ILE 95 N 0.11 1.31 -0.97 4.05 2.04 -1.18 -3.25 117.51 119.62 3fpa h ILE 95 Ca 0.25 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 65.15 3fpa h ILE 95 Cb 0.37 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 3fpa h ILE 95 CO -0.42 0.29 0.62 0.00 0.00 0.00 0.00 178.15 178.65 3fpa h ALA 96 N 0.66 1.36 0.00 1.87 0.00 -0.15 -2.34 119.26 120.66 3fpa h ALA 96 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fpa h ALA 96 Cb 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fpa h ALA 96 CO 0.01 0.39 0.00 -0.44 0.00 0.00 0.00 179.25 179.21 3fpa h ASP 97 N 1.12 0.00 -0.02 0.00 3.32 -0.98 0.56 116.42 120.41 3fpa h ASP 97 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 3fpa h ASP 97 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3fpa h ASP 97 CO -0.18 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.52 3fpa n LEU 98 N -2.30 0.40 -4.68 1.55 4.77 -0.88 -4.93 117.00 110.94 3fpa n LEU 98 Ca 0.01 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 3fpa n LEU 98 Cb 0.15 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3fpa n LEU 98 CO 0.16 0.08 1.31 -0.62 -1.33 0.00 0.00 177.39 176.99 3fpa s ASP 99 N -1.79 6.67 -0.12 -1.43 3.68 0.20 -5.00 116.67 118.88 3fpa s ASP 99 Ca 0.37 2.33 -0.08 0.00 2.13 0.00 0.00 52.55 57.30 3fpa s ASP 99 Cb 0.18 -2.55 0.04 0.00 -1.45 0.00 0.00 42.92 39.14 3fpa s ASP 99 CO 0.29 -0.87 0.30 -0.13 0.13 0.00 0.00 175.17 174.90 3fpa s ARG 100 N 3.12 0.31 0.15 4.34 0.52 -1.26 -4.96 118.95 121.17 3fpa s ARG 100 Ca 0.72 0.53 -0.34 0.00 -0.52 0.00 0.00 55.73 56.12 3fpa s ARG 100 Cb -0.36 0.03 -0.16 0.00 0.52 0.00 0.00 34.95 34.99 3fpa s ARG 100 CO 0.30 -0.11 1.22 -2.30 0.02 0.00 0.00 175.30 174.44 3fpa n PRO 101 N 3.62 1.20 -0.01 3.54 -0.02 -1.26 -2.31 135.00 139.75 3fpa n PRO 101 Ca -0.19 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3fpa n PRO 101 Cb 0.56 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3fpa n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpa n GLY 102 N 2.16 1.28 3.81 -1.23 0.00 -1.26 -4.96 105.19 104.99 3fpa n GLY 102 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3fpa n GLY 102 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fpa s ARG 103 N -0.57 4.25 -0.33 1.61 6.06 -0.98 -4.38 118.95 124.62 3fpa s ARG 103 Ca 0.00 0.81 -0.13 0.00 -2.50 0.00 0.00 55.73 53.91 3fpa s ARG 103 Cb 0.00 -3.12 -0.02 0.00 0.06 0.00 0.00 34.95 31.87 3fpa s ARG 103 CO 0.00 0.55 0.26 -1.17 -2.50 0.00 0.00 175.30 172.44 3fpa s LEU 104 N -1.44 4.41 -0.22 -0.88 0.20 0.66 -1.90 118.68 119.51 3fpa s LEU 104 Ca 0.35 -0.30 -0.07 0.00 0.69 0.00 0.00 54.13 54.80 3fpa s LEU 104 Cb -0.19 -2.18 -0.03 0.00 -0.43 0.00 0.00 46.19 43.36 3fpa s LEU 104 CO 0.21 -0.22 0.05 -0.89 -0.29 0.00 0.00 176.35 175.21 3fpa s THR 105 N 1.80 4.32 -0.18 3.68 2.01 -0.34 -0.29 115.64 126.63 3fpa s THR 105 Ca 0.08 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 3fpa s THR 105 Cb -0.17 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 3fpa s THR 105 CO 0.11 0.38 0.09 -0.76 -0.69 0.00 0.00 174.62 173.75 3fpa s LEU 106 N 1.21 3.97 -0.25 4.42 1.43 -0.16 -1.16 118.68 128.15 3fpa s LEU 106 Ca 0.04 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3fpa s LEU 106 Cb -0.14 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.12 3fpa s LEU 106 CO 0.03 0.19 -0.12 -0.69 0.23 0.00 0.00 176.35 175.99 3fpa s VAL 107 N 0.29 2.09 -0.03 -1.59 1.01 -0.42 0.31 120.40 122.06 3fpa s VAL 107 Ca 0.05 -1.51 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 3fpa s VAL 107 Cb -0.12 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3fpa s VAL 107 CO -0.01 0.03 0.74 -0.70 0.00 0.00 0.00 175.10 175.17 3fpa s GLU 108 N 1.15 4.46 0.97 2.72 2.12 -0.25 -0.45 118.70 129.42 3fpa s GLU 108 Ca -0.07 0.98 -0.15 0.00 0.36 0.00 0.00 54.97 56.10 3fpa s GLU 108 Cb -0.19 -3.42 0.18 0.00 0.26 0.00 0.00 34.13 30.96 3fpa s GLU 108 CO -0.06 0.12 1.18 0.20 -0.54 0.00 0.00 175.26 176.17 3fpa s GLY 109 N 0.55 1.63 -0.24 -1.50 0.00 -0.88 -4.39 107.32 102.50 3fpa s GLY 109 Ca 0.39 -0.80 -0.08 0.00 0.00 0.00 0.00 44.72 44.23 3fpa s GLY 109 CO 0.20 -0.13 0.10 0.00 0.00 0.00 0.00 173.10 173.27 3fpa s ALA 110 N -3.41 3.31 0.00 3.20 0.00 -1.26 -4.98 121.76 118.61 3fpa s ALA 110 Ca 0.68 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3fpa s ALA 110 Cb -0.11 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.89 3fpa s ALA 110 CO 0.53 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.38 3fpa n GLY 111 N 4.59 2.34 3.18 0.00 0.00 -1.26 -4.69 105.19 109.34 3fpa n GLY 111 Ca -0.16 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 3fpa n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fpa n GLY 112 N 0.00 1.26 0.31 -0.02 0.00 -1.25 -4.09 105.19 101.39 3fpa n GLY 112 Ca 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 43.89 3fpa n GLY 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fpa h LEU 113 N 0.00 0.85 -2.91 0.99 5.85 -1.89 -2.54 115.31 115.65 3fpa h LEU 113 Ca -0.25 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3fpa h LEU 113 Cb 1.01 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3fpa h LEU 113 CO 0.30 0.58 0.00 0.18 -0.34 0.00 0.00 178.44 179.16 3fpa n LEU 114 N -4.59 4.54 -4.74 2.25 4.77 -1.26 -3.59 117.00 114.38 3fpa n LEU 114 Ca 0.10 -2.30 -0.41 0.00 -0.03 0.00 0.00 56.01 53.36 3fpa n LEU 114 Cb 0.09 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 3fpa n LEU 114 CO 0.34 0.63 1.09 -0.69 -1.33 0.00 0.00 177.39 177.43 3fpa s VAL 115 N -2.13 2.84 -0.07 4.08 1.01 -0.96 -4.92 120.40 120.24 3fpa s VAL 115 Ca 0.45 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 3fpa s VAL 115 Cb 0.31 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3fpa s VAL 115 CO 0.17 0.09 1.09 -0.70 0.00 0.00 0.00 175.10 175.75 3fpa s GLU 116 N 0.01 4.40 -0.10 2.72 2.12 -1.26 -4.19 118.70 122.40 3fpa s GLU 116 Ca 0.61 1.52 0.11 0.00 0.36 0.00 0.00 54.97 57.56 3fpa s GLU 116 Cb -0.40 -3.53 -0.15 0.00 0.26 0.00 0.00 34.13 30.30 3fpa s GLU 116 CO 0.39 -0.35 0.07 1.28 -0.54 0.00 0.00 175.26 176.12 3fpa n LEU 117 N 4.97 0.00 -3.89 2.70 4.77 0.80 -4.44 117.00 121.91 3fpa n LEU 117 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 3fpa n LEU 117 Cb 0.48 0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.73 3fpa n LEU 117 CO 0.53 0.25 -0.15 0.00 -1.33 0.00 0.00 177.39 176.69 3fpa s ALA 118 N -2.36 -0.21 0.20 -1.18 0.00 -1.11 -4.16 121.76 112.93 3fpa s ALA 118 Ca -0.06 -0.42 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 3fpa s ALA 118 Cb 0.04 0.27 -0.08 0.00 0.00 0.00 0.00 23.12 23.35 3fpa s ALA 118 CO 0.48 -0.34 0.86 -2.00 0.00 0.00 0.00 175.76 174.76 3fpa s GLU 119 N -2.63 4.71 -0.43 0.00 2.56 -1.26 -0.79 118.70 120.87 3fpa s GLU 119 Ca -0.05 1.33 -0.12 0.00 0.00 0.00 0.00 54.97 56.13 3fpa s GLU 119 Cb -0.01 -3.28 0.06 0.00 2.00 0.00 0.00 34.13 32.90 3fpa s GLU 119 CO -0.04 0.53 0.30 -1.25 -0.56 0.00 0.00 175.26 174.23 3fpa s PRO 120 N -1.11 2.81 -1.33 4.30 0.04 -1.26 -4.70 135.00 133.76 3fpa s PRO 120 Ca 0.39 -1.30 -0.01 0.00 0.04 0.00 0.00 61.00 60.12 3fpa s PRO 120 Cb -0.24 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.39 3fpa s PRO 120 CO 0.29 -0.90 0.11 0.41 0.04 0.00 0.00 177.00 176.95 3fpa n GLY 121 N 5.05 -0.28 3.71 0.56 0.00 -1.13 -4.99 105.19 108.11 3fpa n GLY 121 Ca -0.11 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3fpa n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fpa s VAL 122 N -2.85 4.14 0.40 1.61 1.01 0.03 -4.93 120.40 119.81 3fpa s VAL 122 Ca 0.05 1.53 0.05 0.00 0.00 0.00 0.00 61.98 63.62 3fpa s VAL 122 Cb -0.02 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 3fpa s VAL 122 CO 0.07 0.11 0.03 0.42 0.00 0.00 0.00 175.10 175.72 3fpa s THR 123 N 1.14 1.63 0.55 3.92 -4.23 -1.26 -0.14 115.64 117.24 3fpa s THR 123 Ca 0.58 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.33 3fpa s THR 123 Cb -0.28 -2.82 0.36 0.00 1.34 0.00 0.00 72.50 71.10 3fpa s THR 123 CO 0.29 0.00 2.06 0.25 -0.54 0.00 0.00 174.62 176.68 3fpa h LEU 124 N 1.80 0.00 -0.27 4.79 6.46 -1.73 -1.19 115.31 125.18 3fpa h LEU 124 Ca -0.43 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.31 3fpa h LEU 124 Cb 1.25 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 3fpa h LEU 124 CO 0.76 0.00 0.08 -0.09 -0.62 0.00 0.00 178.44 178.57 3fpa h ARG 125 N 0.00 0.43 -0.71 1.25 2.43 -1.94 -1.51 114.38 114.33 3fpa h ARG 125 Ca 0.14 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3fpa h ARG 125 Cb 0.63 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3fpa h ARG 125 CO -0.00 0.49 0.21 -0.44 -1.51 0.00 0.00 179.97 178.73 3fpa h ASP 126 N 0.27 1.05 -0.28 -3.80 3.32 -1.62 -2.79 116.42 112.57 3fpa h ASP 126 Ca 0.09 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 3fpa h ASP 126 Cb 0.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3fpa h ASP 126 CO -0.00 0.98 -0.07 0.58 -1.72 0.00 0.00 179.24 179.01 3fpa h VAL 127 N 1.06 1.24 -0.87 -1.35 2.07 -1.33 -2.20 116.25 114.86 3fpa h VAL 127 Ca 0.23 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3fpa h VAL 127 Cb 0.32 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3fpa h VAL 127 CO -0.01 0.35 0.48 0.00 0.02 0.00 0.00 177.57 178.42 3fpa h ALA 128 N 1.31 1.11 -0.33 1.67 0.00 -1.01 -1.79 119.26 120.23 3fpa h ALA 128 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3fpa h ALA 128 Cb 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fpa h ALA 128 CO 0.03 0.61 -0.05 0.28 0.00 0.00 0.00 179.25 180.12 3fpa h VAL 129 N 1.21 1.27 -0.97 0.00 2.07 -1.41 0.39 116.25 118.81 3fpa h VAL 129 Ca 0.31 -1.07 0.16 0.00 0.82 0.00 0.00 66.70 66.92 3fpa h VAL 129 Cb 0.02 1.30 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 3fpa h VAL 129 CO -0.05 0.35 0.58 0.44 0.02 0.00 0.00 177.57 178.90 3fpa h ASP 130 N 0.41 0.76 -0.30 0.57 3.45 -0.87 -2.65 116.42 117.80 3fpa h ASP 130 Ca 0.09 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3fpa h ASP 130 Cb 0.53 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3fpa h ASP 130 CO 0.03 0.32 0.00 1.33 -1.57 0.00 0.00 179.24 179.34 3fpa n VAL 131 N -4.76 1.90 -3.89 -1.35 0.24 -0.72 -4.98 118.33 104.78 3fpa n VAL 131 Ca 0.21 -1.60 -0.27 0.00 -2.04 0.00 0.00 64.34 60.64 3fpa n VAL 131 Cb 0.49 -0.02 0.01 0.00 -1.47 0.00 0.00 33.84 32.85 3fpa n VAL 131 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fpa n ALA 132 N -0.16 -1.64 -2.70 2.33 0.00 -0.47 -4.85 120.51 113.02 3fpa n ALA 132 Ca 0.18 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 3fpa n ALA 132 Cb 0.76 -3.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.09 3fpa n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fpa s ALA 133 N -3.53 3.80 0.73 0.00 0.00 0.12 -4.75 121.76 118.14 3fpa s ALA 133 Ca 0.35 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 3fpa s ALA 133 Cb -0.18 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.82 3fpa s ALA 133 CO 0.85 0.58 1.10 0.00 0.00 0.00 0.00 175.76 178.28 3fpa s ALA 134 N -1.15 2.70 -0.07 0.00 0.00 -1.13 -4.55 121.76 117.56 3fpa s ALA 134 Ca 0.23 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.94 3fpa s ALA 134 Cb -0.14 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3fpa s ALA 134 CO 0.11 -1.32 -0.23 0.00 0.00 0.00 0.00 175.76 174.32 3fpa s ALA 135 N -3.30 2.05 -0.20 0.00 0.00 0.78 -0.98 121.76 120.11 3fpa s ALA 135 Ca 0.59 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 3fpa s ALA 135 Cb -0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3fpa s ALA 135 CO 0.52 0.35 0.08 -1.17 0.00 0.00 0.00 175.76 175.54 3fpa s LEU 136 N 0.05 3.81 -0.26 0.00 2.96 0.63 0.07 118.68 125.93 3fpa s LEU 136 Ca -0.09 0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3fpa s LEU 136 Cb -0.15 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3fpa s LEU 136 CO 0.05 0.12 0.07 -0.69 -1.32 0.00 0.00 176.35 174.58 3fpa s VAL 137 N 0.68 4.20 -0.14 1.68 1.01 -0.15 -1.13 120.40 126.55 3fpa s VAL 137 Ca 0.04 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 3fpa s VAL 137 Cb -0.13 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3fpa s VAL 137 CO 0.02 0.28 0.35 -0.69 0.00 0.00 0.00 175.10 175.06 3fpa s VAL 138 N 1.59 5.26 0.12 2.92 1.01 -0.51 -0.88 120.40 129.91 3fpa s VAL 138 Ca 0.06 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.74 3fpa s VAL 138 Cb -0.15 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3fpa s VAL 138 CO 0.03 0.38 -0.09 0.68 0.00 0.00 0.00 175.10 176.10 3fpa s VAL 139 N 0.41 0.96 0.57 2.92 -7.23 -0.15 -2.16 120.40 115.71 3fpa s VAL 139 Ca 0.19 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 3fpa s VAL 139 Cb -0.14 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.17 3fpa s VAL 139 CO 0.06 -0.72 0.85 0.42 -0.31 0.00 0.00 175.10 175.40 3fpa s THR 140 N -3.13 3.57 -1.75 5.32 -4.23 -1.26 -1.15 115.64 113.00 3fpa s THR 140 Ca 0.12 -0.16 0.19 0.00 -1.18 0.00 0.00 61.69 60.66 3fpa s THR 140 Cb 0.02 -3.40 0.61 0.00 1.34 0.00 0.00 72.50 71.07 3fpa s THR 140 CO -0.01 -0.38 1.51 0.00 -0.54 0.00 0.00 174.62 175.20 3fpa n ALA 141 N -2.49 2.59 -2.07 3.99 0.00 -1.26 -4.80 120.51 116.46 3fpa n ALA 141 Ca 0.04 -1.25 -0.27 0.00 0.00 0.00 0.00 53.44 51.96 3fpa n ALA 141 Cb 0.58 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 19.09 3fpa n ALA 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fpa s ASP 142 N -0.96 5.68 -0.07 0.00 1.01 -1.26 -3.84 116.67 117.23 3fpa s ASP 142 Ca 0.45 0.81 -0.37 0.00 0.71 0.00 0.00 52.55 54.15 3fpa s ASP 142 Cb 0.25 -1.82 -0.15 0.00 1.01 0.00 0.00 42.92 42.21 3fpa s ASP 142 CO 0.28 -1.03 1.60 0.18 0.21 0.00 0.00 175.17 176.41 3fpa n LEU 143 N -2.60 2.37 0.00 1.23 4.77 -1.26 -1.74 117.00 119.77 3fpa n LEU 143 Ca 0.04 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 3fpa n LEU 143 Cb 0.57 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3fpa n LEU 143 CO 0.53 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 3fpa n GLY 144 N 3.54 0.45 0.27 -0.72 0.00 -1.26 -4.99 105.19 102.49 3fpa n GLY 144 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 3fpa n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpa h THR 145 N 0.00 1.27 -0.42 2.61 1.03 -1.65 -2.52 112.91 113.24 3fpa h THR 145 Ca 0.00 -1.25 0.02 0.00 -0.01 0.00 0.00 66.41 65.17 3fpa h THR 145 Cb 0.00 1.08 -0.03 0.00 -1.07 0.00 0.00 68.15 68.14 3fpa h THR 145 CO 0.00 0.43 0.24 -0.07 -0.01 0.00 0.00 175.52 176.11 3fpa h LEU 146 N 0.78 0.39 0.31 0.00 3.38 -1.92 0.50 115.31 118.74 3fpa h LEU 146 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3fpa h LEU 146 Cb 0.67 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3fpa h LEU 146 CO 0.05 0.28 -0.15 -1.13 0.09 0.00 0.00 178.44 177.58 3fpa h ASN 147 N 0.49 -0.35 -0.68 -0.43 -1.24 -1.98 -2.19 115.58 109.20 3fpa h ASN 147 Ca 0.17 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.17 3fpa h ASN 147 Cb 0.01 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 3fpa h ASN 147 CO -0.08 -0.24 0.39 0.45 -1.29 0.00 0.00 177.43 176.66 3fpa h HIS 148 N -0.43 0.93 0.08 0.67 3.86 -1.01 -1.14 115.15 118.11 3fpa h HIS 148 Ca -0.04 -0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 58.88 3fpa h HIS 148 Cb 0.33 -0.30 0.02 0.00 1.06 0.00 0.00 27.41 28.52 3fpa h HIS 148 CO -0.05 0.64 -1.16 0.00 0.86 0.00 0.00 177.93 178.21 3fpa h THR 149 N 0.96 1.33 -0.92 2.45 1.03 -0.92 -2.36 112.91 114.48 3fpa h THR 149 Ca 0.25 -2.49 0.00 0.00 -0.01 0.00 0.00 66.41 64.16 3fpa h THR 149 Cb 0.01 2.62 -0.05 0.00 -1.07 0.00 0.00 68.15 69.67 3fpa h THR 149 CO -0.04 0.75 0.59 0.11 -0.01 0.00 0.00 175.52 176.92 3fpa h LYS 150 N 0.27 1.23 -0.44 0.00 1.57 -1.27 0.49 116.57 118.41 3fpa h LYS 150 Ca -0.15 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3fpa h LYS 150 Cb 1.83 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.85 3fpa h LYS 150 CO 0.22 0.83 0.27 -0.07 -0.57 0.00 0.00 179.45 180.13 3fpa h LEU 151 N 1.26 0.53 -0.01 2.94 4.07 -1.19 -1.45 115.31 121.45 3fpa h LEU 151 Ca 0.33 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.24 3fpa h LEU 151 Cb -0.11 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.50 3fpa h LEU 151 CO -0.07 0.42 -0.00 0.74 -1.08 0.00 0.00 178.44 178.45 3fpa h THR 152 N 0.59 1.27 -0.94 0.22 2.02 -0.95 -2.41 112.91 112.71 3fpa h THR 152 Ca 0.16 -0.81 0.15 0.00 0.77 0.00 0.00 66.41 66.68 3fpa h THR 152 Cb -0.01 1.80 -0.09 0.00 -1.74 0.00 0.00 68.15 68.10 3fpa h THR 152 CO -0.03 0.21 0.55 -0.07 0.37 0.00 0.00 175.52 176.56 3fpa h LEU 153 N -0.31 0.74 -0.26 2.58 3.38 0.04 -1.41 115.31 120.08 3fpa h LEU 153 Ca 0.00 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3fpa h LEU 153 Cb 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3fpa h LEU 153 CO 0.00 0.33 -0.49 1.05 0.09 0.00 0.00 178.44 179.43 3fpa h GLU 154 N 0.79 0.00 -0.20 1.13 4.11 -1.24 -2.48 114.58 116.70 3fpa h GLU 154 Ca 0.50 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.80 3fpa h GLU 154 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3fpa h GLU 154 CO -0.33 0.49 -0.46 0.00 0.07 0.00 0.00 179.01 178.77 3fpa h ALA 155 N 1.51 0.84 0.40 1.06 0.00 -0.78 -1.96 119.26 120.33 3fpa h ALA 155 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3fpa h ALA 155 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fpa h ALA 155 CO 0.06 0.66 -0.19 -0.07 0.00 0.00 0.00 179.25 179.71 3fpa h LEU 156 N 0.40 -0.45 -1.60 0.00 3.38 -1.22 -3.10 115.31 112.73 3fpa h LEU 156 Ca 0.03 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.08 3fpa h LEU 156 Cb 0.96 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3fpa h LEU 156 CO 0.08 -0.20 0.52 0.00 0.09 0.00 0.00 178.44 178.93 3fpa h ALA 157 N -0.16 2.16 0.00 1.53 0.00 -1.45 -0.86 119.26 120.48 3fpa h ALA 157 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fpa h ALA 157 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fpa h ALA 157 CO 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 178.96 3fpa h ALA 158 N 1.64 1.00 0.00 0.00 0.00 -1.27 -1.98 119.26 118.65 3fpa h ALA 158 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3fpa h ALA 158 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3fpa h ALA 158 CO -0.12 0.00 -0.04 1.04 0.00 0.00 0.00 179.25 180.13 3fpa n GLN 159 N -2.49 1.25 -4.15 0.00 1.13 -0.42 -4.99 117.38 107.71 3fpa n GLN 159 Ca 0.00 -2.37 -0.35 0.00 -1.94 0.00 0.00 57.00 52.33 3fpa n GLN 159 Cb 0.16 -1.38 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 3fpa n GLN 159 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3fpa n GLN 160 N -1.26 -2.67 -2.79 -1.09 3.00 -0.74 -4.94 117.38 106.89 3fpa n GLN 160 Ca 0.14 0.32 -0.42 0.00 -0.01 0.00 0.00 57.00 57.02 3fpa n GLN 160 Cb 0.62 -5.02 -0.03 0.00 0.00 0.00 0.00 30.24 25.81 3fpa n GLN 160 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3fpa s VAL 161 N -3.19 4.71 0.00 5.09 1.01 -0.65 -5.00 120.40 122.36 3fpa s VAL 161 Ca 0.71 1.62 0.00 0.00 0.00 0.00 0.00 61.98 64.31 3fpa s VAL 161 Cb -0.39 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.74 3fpa s VAL 161 CO 0.87 -0.25 0.00 -0.24 0.00 0.00 0.00 175.10 175.49 3fpa n SER 162 N 6.35 0.00 0.00 3.32 2.88 -1.26 -4.28 113.62 120.63 3fpa n SER 162 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 3fpa n SER 162 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 3fpa n SER 162 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fpa n ALA 164 N -3.00 0.00 0.00 -1.46 0.00 0.11 -0.16 120.51 116.00 3fpa n ALA 164 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fpa n ALA 164 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3fpa n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpa n GLY 165 N 0.00 2.07 3.92 0.00 0.00 -1.25 -4.95 105.19 104.97 3fpa n GLY 165 Ca 0.00 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 3fpa n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fpa s LEU 166 N 0.00 4.31 -0.04 0.99 1.02 0.34 -0.98 118.68 124.32 3fpa s LEU 166 Ca 0.00 0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.37 3fpa s LEU 166 Cb 0.00 -2.90 0.02 0.00 0.02 0.00 0.00 46.19 43.32 3fpa s LEU 166 CO 0.00 0.13 -0.06 -0.69 0.02 0.00 0.00 176.35 175.75 3fpa s VAL 167 N -1.59 0.59 -0.23 -1.59 1.01 -0.06 0.11 120.40 118.64 3fpa s VAL 167 Ca 0.34 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 3fpa s VAL 167 Cb -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3fpa s VAL 167 CO 0.28 0.22 0.93 -0.63 0.00 0.00 0.00 175.10 175.90 3fpa s ILE 168 N 0.67 4.77 0.26 2.22 1.01 -0.47 -0.98 121.20 128.68 3fpa s ILE 168 Ca -0.09 1.79 0.17 0.00 0.00 0.00 0.00 60.65 62.51 3fpa s ILE 168 Cb -0.12 -4.21 0.11 0.00 0.01 0.00 0.00 42.46 38.25 3fpa s ILE 168 CO 0.00 -0.11 1.77 1.23 0.00 0.00 0.00 174.94 177.83 3fpa h GLY 169 N 9.22 0.00 -6.68 6.18 0.00 -1.23 -0.46 103.07 110.09 3fpa h GLY 169 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.84 3fpa h GLY 169 CO 0.92 0.00 -0.58 -0.45 0.00 0.00 0.00 176.54 176.42 3fpa s SER 170 N -6.60 0.91 -0.22 0.19 0.15 -1.25 -4.48 113.70 102.40 3fpa s SER 170 Ca -0.01 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 3fpa s SER 170 Cb 0.12 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 3fpa s SER 170 CO 0.70 -0.29 0.04 0.86 1.20 0.00 0.00 173.24 175.75 3fpa s TRP 171 N 2.37 3.08 -0.11 3.44 -0.11 0.72 -4.46 118.94 123.87 3fpa s TRP 171 Ca 0.05 -0.39 -0.30 0.00 1.22 0.00 0.00 56.10 56.69 3fpa s TRP 171 Cb -0.14 -2.17 -0.01 0.00 -1.50 0.00 0.00 33.47 29.65 3fpa s TRP 171 CO -0.11 -0.27 1.07 -1.25 -4.62 0.00 0.00 176.95 171.77 3fpa s PRO 172 N 1.27 4.38 0.17 5.86 0.04 -1.26 -1.00 135.00 144.46 3fpa s PRO 172 Ca 0.04 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 3fpa s PRO 172 Cb -0.15 -3.56 -0.07 0.00 0.04 0.00 0.00 34.50 30.76 3fpa s PRO 172 CO 0.03 -0.39 0.95 0.34 0.04 0.00 0.00 177.00 177.96 3fpa s ASP 173 N 1.23 7.56 0.00 6.66 3.68 -1.26 -2.38 116.67 132.17 3fpa s ASP 173 Ca 0.50 1.86 0.00 0.00 2.13 0.00 0.00 52.55 57.04 3fpa s ASP 173 Cb -0.20 -2.60 0.00 0.00 -1.45 0.00 0.00 42.92 38.68 3fpa s ASP 173 CO 0.17 0.03 0.00 -2.65 0.13 0.00 0.00 175.17 172.86 3fpa n PRO 174 N 2.23 -0.24 -2.53 4.34 -0.02 -1.26 -5.05 135.00 132.47 3fpa n PRO 174 Ca 0.00 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 3fpa n PRO 174 Cb 0.48 -0.67 -0.02 0.00 -0.02 0.00 0.00 33.50 33.27 3fpa n PRO 174 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fpa s PRO 175 N -0.64 4.33 0.20 0.52 0.04 -1.00 -5.06 135.00 133.39 3fpa s PRO 175 Ca 0.00 1.56 -0.03 0.00 0.04 0.00 0.00 61.00 62.57 3fpa s PRO 175 Cb 0.00 -3.61 0.05 0.00 0.04 0.00 0.00 34.50 30.98 3fpa s PRO 175 CO 0.00 -0.50 0.12 0.41 0.04 0.00 0.00 177.00 177.07 3fpa n GLY 176 N 3.35 -3.54 0.14 0.56 0.00 -1.26 -4.65 105.19 99.79 3fpa n GLY 176 Ca 0.11 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 3fpa n GLY 176 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fpa h LEU 177 N 0.00 0.47 0.62 0.99 3.38 -1.99 -2.56 115.31 116.23 3fpa h LEU 177 Ca -0.05 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 3fpa h LEU 177 Cb 0.18 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.80 3fpa h LEU 177 CO 0.03 1.01 -0.30 0.58 0.09 0.00 0.00 178.44 179.86 3fpa h VAL 178 N -0.04 0.38 -0.47 1.22 2.07 -1.93 -0.53 116.25 116.94 3fpa h VAL 178 Ca -0.02 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3fpa h VAL 178 Cb 0.98 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 3fpa h VAL 178 CO 0.07 0.01 -0.28 0.00 0.02 0.00 0.00 177.57 177.39 3fpa h ALA 179 N -0.52 -0.02 -0.35 1.67 0.00 -1.67 0.67 119.26 119.05 3fpa h ALA 179 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fpa h ALA 179 Cb 0.66 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3fpa h ALA 179 CO 0.14 -0.64 0.23 0.00 0.00 0.00 0.00 179.25 178.97 3fpa h ALA 180 N 1.00 0.44 -0.39 0.00 0.00 -1.42 -1.02 119.26 117.88 3fpa h ALA 180 Ca 0.21 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3fpa h ALA 180 Cb 0.51 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3fpa h ALA 180 CO -0.57 -0.08 0.14 1.03 0.00 0.00 0.00 179.25 179.77 3fpa h SER 181 N 0.47 0.17 -0.66 0.00 0.87 -0.45 -2.45 113.55 111.50 3fpa h SER 181 Ca 0.13 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3fpa h SER 181 Cb -0.04 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 3fpa h SER 181 CO -0.03 0.13 0.42 0.78 -0.53 0.00 0.00 176.83 177.61 3fpa h ASN 182 N 0.31 0.72 -0.86 6.23 2.35 0.79 -1.84 115.58 123.28 3fpa h ASN 182 Ca 0.18 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3fpa h ASN 182 Cb 0.15 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 3fpa h ASN 182 CO -0.17 0.51 0.57 -0.09 -1.65 0.00 0.00 177.43 176.60 3fpa h ARG 183 N 0.85 1.12 -0.39 0.81 2.43 -0.99 0.23 114.38 118.44 3fpa h ARG 183 Ca 0.25 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 3fpa h ARG 183 Cb -0.05 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.23 3fpa h ARG 183 CO -0.08 0.74 -0.09 0.77 -1.51 0.00 0.00 179.97 179.80 3fpa h SER 184 N 1.15 0.65 0.17 -3.80 0.02 -1.16 -1.13 113.55 109.46 3fpa h SER 184 Ca 0.32 -0.18 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 3fpa h SER 184 Cb -0.12 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.25 3fpa h SER 184 CO -0.07 0.78 -0.79 0.00 -1.14 0.00 0.00 176.83 175.61 3fpa h ALA 185 N 1.28 0.47 -0.47 3.77 0.00 -0.82 -2.85 119.26 120.65 3fpa h ALA 185 Ca 0.11 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3fpa h ALA 185 Cb 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3fpa h ALA 185 CO 0.03 0.75 0.11 -0.07 0.00 0.00 0.00 179.25 180.07 3fpa h LEU 186 N 0.33 0.72 -2.26 0.00 3.38 -0.78 -2.86 115.31 113.83 3fpa h LEU 186 Ca -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3fpa h LEU 186 Cb 1.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3fpa h LEU 186 CO 0.14 0.77 -0.04 0.00 0.09 0.00 0.00 178.44 179.40 3fpa h ALA 187 N 0.98 1.17 -0.12 1.53 0.00 -1.18 -1.84 119.26 119.79 3fpa h ALA 187 Ca 0.15 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3fpa h ALA 187 Cb 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fpa h ALA 187 CO 0.00 0.05 -0.68 0.00 0.00 0.00 0.00 179.25 178.63 3fpa h ARG 188 N 0.00 0.51 0.00 0.00 3.08 -1.28 -3.34 114.38 113.36 3fpa h ARG 188 Ca -0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3fpa h ARG 188 Cb 0.21 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3fpa h ARG 188 CO 0.01 1.01 -0.80 0.44 -1.07 0.00 0.00 179.97 179.56 3fpa n ILE 189 N -3.89 0.23 -3.68 2.04 -5.35 -0.79 -4.99 119.36 102.93 3fpa n ILE 189 Ca -0.04 -0.23 -0.03 0.00 -0.27 0.00 0.00 62.75 62.18 3fpa n ILE 189 Cb 0.68 0.07 -0.01 0.00 -1.74 0.00 0.00 39.64 38.64 3fpa n ILE 189 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fpa s ALA 190 N -3.16 -1.86 0.14 -1.28 0.00 -0.76 -5.12 121.76 109.71 3fpa s ALA 190 Ca 0.06 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 3fpa s ALA 190 Cb 0.14 0.49 -0.08 0.00 0.00 0.00 0.00 23.12 23.67 3fpa s ALA 190 CO 0.76 -0.98 1.36 1.41 0.00 0.00 0.00 175.76 178.31 3fpa s MET 191 N -2.98 4.34 -0.45 0.00 1.75 -1.26 -4.00 119.30 116.70 3fpa s MET 191 Ca 0.12 2.06 -0.17 0.00 -1.25 0.00 0.00 55.69 56.44 3fpa s MET 191 Cb 0.00 -3.23 0.04 0.00 2.84 0.00 0.00 34.83 34.48 3fpa s MET 191 CO -0.01 -0.38 0.47 0.08 -0.65 0.00 0.00 175.02 174.53 3fpa s VAL 192 N 0.81 5.07 0.15 10.11 1.01 -1.26 -0.50 120.40 135.79 3fpa s VAL 192 Ca 0.62 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 3fpa s VAL 192 Cb -0.36 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 31.80 3fpa s VAL 192 CO 0.33 -0.55 1.42 0.03 0.00 0.00 0.00 175.10 176.33 3fpa h ARG 193 N 8.80 0.64 -3.16 2.72 2.47 -0.69 -3.47 114.38 121.69 3fpa h ARG 193 Ca -0.27 -0.46 -0.01 0.00 -1.26 0.00 0.00 59.98 57.98 3fpa h ARG 193 Cb 1.11 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 29.40 3fpa h ARG 193 CO 0.85 1.08 0.12 0.00 0.56 0.00 0.00 179.97 182.58 3fpa s ALA 194 N -3.88 -1.21 -0.26 0.04 0.00 -1.25 -4.31 121.76 110.89 3fpa s ALA 194 Ca -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 3fpa s ALA 194 Cb 0.10 0.85 0.09 0.00 0.00 0.00 0.00 23.12 24.16 3fpa s ALA 194 CO 0.87 -0.82 0.08 0.00 0.00 0.00 0.00 175.76 175.89 3fpa s ALA 195 N -3.83 1.13 0.03 0.00 0.00 -1.26 -1.36 121.76 116.47 3fpa s ALA 195 Ca 0.06 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 3fpa s ALA 195 Cb -0.02 -1.41 -0.06 0.00 0.00 0.00 0.00 23.12 21.64 3fpa s ALA 195 CO -0.05 -1.48 1.30 -0.51 0.00 0.00 0.00 175.76 175.01 3fpa s LEU 196 N 1.82 4.34 0.26 0.00 1.43 -0.18 -4.69 118.68 121.66 3fpa s LEU 196 Ca 0.06 2.07 -0.27 0.00 -1.03 0.00 0.00 54.13 54.96 3fpa s LEU 196 Cb -0.17 -3.57 -0.16 0.00 0.03 0.00 0.00 46.19 42.32 3fpa s LEU 196 CO -0.22 -0.61 0.62 -2.65 0.23 0.00 0.00 176.35 173.73 3fpa n PRO 197 N 4.63 0.43 -1.83 1.29 -0.02 -1.26 -0.20 135.00 138.04 3fpa n PRO 197 Ca 0.11 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 3fpa n PRO 197 Cb 0.45 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.62 3fpa n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fpa s ALA 198 N -1.12 3.73 0.00 3.55 0.00 -0.17 -2.26 121.76 125.49 3fpa s ALA 198 Ca 0.62 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.10 3fpa s ALA 198 Cb -0.81 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 18.68 3fpa s ALA 198 CO 0.58 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3fpa n GLY 199 N 2.32 0.74 0.43 0.00 0.00 -1.26 -4.96 105.19 102.47 3fpa n GLY 199 Ca 0.08 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.35 3fpa n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpa h ALA 200 N 0.00 2.50 -0.00 4.61 0.00 -1.79 -2.63 119.26 121.94 3fpa h ALA 200 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fpa h ALA 200 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3fpa h ALA 200 CO 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 179.25 178.41 3fpa n ALA 201 N -2.59 2.67 -0.27 0.00 0.00 -1.26 -2.77 120.51 116.29 3fpa n ALA 201 Ca 0.21 -0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.43 3fpa n ALA 201 Cb 0.87 -1.38 0.16 0.00 0.00 0.00 0.00 19.45 19.10 3fpa n ALA 201 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fpa n SER 202 N -0.74 3.02 -4.79 0.00 3.41 -0.99 -5.00 113.62 108.52 3fpa n SER 202 Ca 0.19 -2.13 -0.35 0.00 -0.26 0.00 0.00 58.87 56.33 3fpa n SER 202 Cb 0.23 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3fpa n SER 202 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fpa s LEU 203 N -1.23 3.84 0.76 1.04 1.43 -1.11 -5.07 118.68 118.33 3fpa s LEU 203 Ca 0.25 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 3fpa s LEU 203 Cb 0.14 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.87 3fpa s LEU 203 CO 0.14 -0.90 1.08 -1.81 0.23 0.00 0.00 176.35 175.09 3fpa s ASP 204 N -1.88 4.81 0.23 2.29 1.01 -1.26 -4.76 116.67 117.12 3fpa s ASP 204 Ca 0.68 1.47 -0.06 0.00 0.71 0.00 0.00 52.55 55.35 3fpa s ASP 204 Cb -0.19 -2.26 0.39 0.00 1.01 0.00 0.00 42.92 41.87 3fpa s ASP 204 CO 0.23 -1.78 1.76 0.00 0.21 0.00 0.00 175.17 175.58 3fpa h ALA 205 N -0.96 1.01 -0.30 5.23 0.00 -1.83 0.18 119.26 122.60 3fpa h ALA 205 Ca -0.46 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3fpa h ALA 205 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3fpa h ALA 205 CO 0.58 -0.12 0.08 0.78 0.00 0.00 0.00 179.25 180.57 3fpa h GLY 206 N 0.53 0.51 1.79 0.00 0.00 -1.93 0.23 103.07 104.21 3fpa h GLY 206 Ca 0.38 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 3fpa h GLY 206 CO -0.32 0.29 -0.40 -0.55 0.00 0.00 0.00 176.54 175.56 3fpa h ASP 207 N 0.32 0.24 -0.19 0.19 3.32 -1.84 -2.83 116.42 115.64 3fpa h ASP 207 Ca 0.09 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3fpa h ASP 207 Cb 0.28 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3fpa h ASP 207 CO 0.00 0.62 -0.51 0.15 -1.72 0.00 0.00 179.24 177.78 3fpa h PHE 208 N 0.20 0.95 -0.95 4.55 3.57 -0.27 -1.11 116.94 123.88 3fpa h PHE 208 Ca 0.02 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 3fpa h PHE 208 Cb 0.79 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 3fpa h PHE 208 CO 0.01 1.11 0.57 0.00 -2.23 0.00 0.00 178.31 177.78 3fpa h ALA 209 N 0.82 1.22 0.10 2.41 0.00 -0.95 -0.80 119.26 122.06 3fpa h ALA 209 Ca 0.02 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 3fpa h ALA 209 Cb 1.09 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3fpa h ALA 209 CO 0.11 0.67 -1.17 0.00 0.00 0.00 0.00 179.25 178.85 3fpa h ALA 210 N 1.32 0.16 -0.42 0.00 0.00 -1.42 -1.20 119.26 117.70 3fpa h ALA 210 Ca 0.34 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3fpa h ALA 210 Cb -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fpa h ALA 210 CO -0.06 0.98 0.21 1.98 0.00 0.00 0.00 179.25 182.35 3fpa h MET 211 N 0.08 0.61 -0.48 0.00 -1.53 -1.18 -2.60 114.93 109.83 3fpa h MET 211 Ca -0.11 -0.09 -0.05 0.00 -3.44 0.00 0.00 59.70 56.01 3fpa h MET 211 Cb 1.89 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 32.81 3fpa h MET 211 CO 0.19 0.52 0.11 0.77 0.14 0.00 0.00 176.91 178.64 3fpa h SER 212 N 0.54 0.74 0.06 1.39 0.02 -1.00 0.84 113.55 116.15 3fpa h SER 212 Ca 0.15 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3fpa h SER 212 Cb 0.11 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3fpa h SER 212 CO -0.02 0.78 -0.18 0.00 -1.14 0.00 0.00 176.83 176.28 3fpa h ALA 213 N 0.98 1.45 0.00 3.77 0.00 -1.25 -2.36 119.26 121.85 3fpa h ALA 213 Ca 0.15 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 3fpa h ALA 213 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fpa h ALA 213 CO 0.00 0.39 -0.87 0.00 0.00 0.00 0.00 179.25 178.78 3fpa h ALA 214 N 1.61 0.54 -0.33 0.00 0.00 -1.07 -3.37 119.26 116.63 3fpa h ALA 214 Ca 0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 3fpa h ALA 214 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3fpa h ALA 214 CO 0.03 0.93 -0.28 0.00 0.00 0.00 0.00 179.25 179.93 3fpa h ALA 215 N 1.01 0.89 -3.34 0.00 0.00 -0.29 -3.44 119.26 114.08 3fpa h ALA 215 Ca -0.04 -0.39 -0.65 0.00 0.00 0.00 0.00 54.91 53.84 3fpa h ALA 215 Cb 1.49 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 19.01 3fpa h ALA 215 CO 0.13 0.63 -0.71 -0.06 0.00 0.00 0.00 179.25 179.23 3fpa s PHE 216 N -4.49 2.79 -0.24 0.00 0.40 -1.17 -4.37 117.98 110.91 3fpa s PHE 216 Ca -0.09 -0.14 -0.29 0.00 -0.60 0.00 0.00 56.93 55.82 3fpa s PHE 216 Cb 0.13 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 3fpa s PHE 216 CO 0.83 0.46 1.68 0.34 0.70 0.00 0.00 175.22 179.23 3fpa s ASP 217 N -2.43 6.25 0.45 1.36 3.68 -1.26 -4.89 116.67 119.83 3fpa s ASP 217 Ca 0.24 1.57 0.15 0.00 2.13 0.00 0.00 52.55 56.64 3fpa s ASP 217 Cb -0.11 -2.53 1.08 0.00 -1.45 0.00 0.00 42.92 39.91 3fpa s ASP 217 CO 0.16 -1.37 1.99 -0.09 0.13 0.00 0.00 175.17 175.98 3fpa h ARG 218 N 11.31 0.33 -0.49 4.34 2.43 -1.97 -1.90 114.38 128.43 3fpa h ARG 218 Ca -0.34 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.72 3fpa h ARG 218 Cb 1.16 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 3fpa h ARG 218 CO 1.01 0.22 -0.05 -0.91 -1.51 0.00 0.00 179.97 178.72 3fpa h ASN 219 N 0.34 0.90 -0.10 -3.80 2.35 -1.99 0.19 115.58 113.47 3fpa h ASN 219 Ca 0.26 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3fpa h ASN 219 Cb 0.56 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3fpa h ASN 219 CO -0.06 1.02 0.06 -0.25 -1.65 0.00 0.00 177.43 176.55 3fpa h TRP 220 N 0.76 0.13 0.40 1.19 7.01 -1.80 -2.34 115.95 121.31 3fpa h TRP 220 Ca 0.13 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 3fpa h TRP 220 Cb 0.59 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 3fpa h TRP 220 CO 0.04 0.12 -0.32 0.28 -2.79 0.00 0.00 178.44 175.77 3fpa h VAL 221 N 0.11 0.34 -0.51 2.65 2.07 -1.24 -2.44 116.25 117.23 3fpa h VAL 221 Ca 0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.70 3fpa h VAL 221 Cb 0.02 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3fpa h VAL 221 CO -0.01 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.95 3fpa h ALA 222 N -0.23 2.46 -0.01 1.67 0.00 -1.02 -1.96 119.26 120.17 3fpa h ALA 222 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fpa h ALA 222 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3fpa h ALA 222 CO -0.01 -0.60 -0.07 0.41 0.00 0.00 0.00 179.25 178.98 3fpa n GLY 223 N -1.63 -0.54 0.21 0.00 0.00 -0.88 -3.98 105.19 98.36 3fpa n GLY 223 Ca 0.09 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.81 3fpa n GLY 223 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fpa h LEU 224 N 1.24 0.00 -0.60 0.99 3.38 -1.10 -2.37 115.31 116.85 3fpa h LEU 224 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fpa h LEU 224 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3fpa h LEU 224 CO 0.00 0.26 -0.32 0.52 0.09 0.00 0.00 178.44 178.98 3fpa n VAL 225 N -4.23 0.00 0.00 1.22 0.31 -1.26 -4.83 118.33 109.54 3fpa n VAL 225 Ca -0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3fpa n VAL 225 Cb 0.31 0.60 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 3fpa n VAL 225 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12