#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffu s LYS 3 N 0.00 4.11 -0.15 0.00 1.02 -1.26 -4.51 119.74 118.95 1ffu s LYS 3 Ca 0.00 2.23 -0.04 0.00 0.02 0.00 0.00 55.97 58.18 1ffu s LYS 3 Cb 0.00 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1ffu s LYS 3 CO 0.00 -0.40 -0.04 0.21 -0.92 0.00 0.00 175.35 174.20 1ffu s LYS 4 N -2.08 3.65 -0.05 1.68 2.20 0.66 -4.79 119.74 121.01 1ffu s LYS 4 Ca 0.54 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.33 1ffu s LYS 4 Cb -0.40 -2.91 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1ffu s LYS 4 CO 0.52 0.26 1.17 0.42 -0.36 0.00 0.00 175.35 177.36 1ffu s ILE 5 N 0.30 4.32 0.06 5.43 1.01 -1.26 -1.38 121.20 129.69 1ffu s ILE 5 Ca -0.03 1.64 -0.03 0.00 0.00 0.00 0.00 60.65 62.22 1ffu s ILE 5 Cb -0.14 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1ffu s ILE 5 CO 0.03 0.02 0.03 0.27 0.00 0.00 0.00 174.94 175.29 1ffu s ILE 6 N 2.01 0.20 -0.16 2.92 -4.36 0.14 -4.97 121.20 116.96 1ffu s ILE 6 Ca 0.55 -1.61 -0.01 0.00 -0.26 0.00 0.00 60.65 59.33 1ffu s ILE 6 Cb -0.24 -1.44 0.04 0.00 1.25 0.00 0.00 42.46 42.07 1ffu s ILE 6 CO 0.23 -0.89 -0.05 -0.89 0.24 0.00 0.00 174.94 173.58 1ffu s THR 7 N -3.84 1.06 -0.09 8.37 2.01 -1.26 -1.06 115.64 120.84 1ffu s THR 7 Ca 0.06 -0.59 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 1ffu s THR 7 Cb 0.07 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1ffu s THR 7 CO -0.10 0.13 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.20 1ffu s VAL 8 N 1.65 3.66 -0.53 3.82 1.01 -0.39 -0.46 120.40 129.16 1ffu s VAL 8 Ca 0.01 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 1ffu s VAL 8 Cb -0.15 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.77 1ffu s VAL 8 CO -0.08 0.57 0.70 0.20 0.00 0.00 0.00 175.10 176.49 1ffu s ASN 9 N -0.44 6.23 -0.24 3.32 0.01 -0.71 0.33 114.94 123.44 1ffu s ASN 9 Ca 0.06 -0.91 -0.05 0.00 -0.71 0.00 0.00 52.86 51.25 1ffu s ASN 9 Cb -0.12 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 1ffu s ASN 9 CO 0.02 -1.00 0.00 -0.69 -1.51 0.00 0.00 177.10 173.93 1ffu s VAL 10 N 2.90 3.64 -1.45 1.60 1.01 -0.11 0.40 120.40 128.38 1ffu s VAL 10 Ca 0.17 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1ffu s VAL 10 Cb -0.19 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.50 1ffu s VAL 10 CO 0.12 0.31 0.97 0.59 0.00 0.00 0.00 175.10 177.09 1ffu n ASN 11 N 4.83 -5.59 0.00 3.32 3.02 0.81 -1.53 115.26 120.12 1ffu n ASN 11 Ca -0.17 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1ffu n ASN 11 Cb 0.50 -4.45 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 1ffu n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ffu n GLY 12 N -1.75 0.77 3.32 7.41 0.00 -1.26 -5.02 105.19 108.65 1ffu n GLY 12 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ffu n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ffu s LYS 13 N -0.09 3.08 0.03 1.61 2.20 -0.58 -5.08 119.74 120.90 1ffu s LYS 13 Ca 0.00 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 1ffu s LYS 13 Cb 0.00 -2.44 -0.06 0.00 -1.51 0.00 0.00 37.83 33.82 1ffu s LYS 13 CO 0.00 0.27 1.37 0.00 -0.36 0.00 0.00 175.35 176.63 1ffu s ALA 14 N 0.17 3.56 -0.35 3.13 0.00 -1.26 -0.94 121.76 126.07 1ffu s ALA 14 Ca -0.10 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1ffu s ALA 14 Cb -0.16 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 19.49 1ffu s ALA 14 CO 0.06 -0.79 0.07 -0.65 0.00 0.00 0.00 175.76 174.45 1ffu s GLN 15 N 1.96 1.80 -0.47 0.00 -1.52 0.15 -4.95 119.66 116.63 1ffu s GLN 15 Ca 0.63 -1.75 -0.21 0.00 -1.95 0.00 0.00 55.36 52.08 1ffu s GLN 15 Cb -0.32 -3.27 0.03 0.00 -0.22 0.00 0.00 33.01 29.23 1ffu s GLN 15 CO 0.28 -0.90 0.71 -1.21 -0.25 0.00 0.00 175.29 173.91 1ffu s GLU 16 N 1.02 3.28 0.22 2.91 2.02 -1.26 -1.26 118.70 125.62 1ffu s GLU 16 Ca 0.06 -0.41 -0.00 0.00 0.02 0.00 0.00 54.97 54.64 1ffu s GLU 16 Cb -0.20 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 29.99 1ffu s GLU 16 CO -0.06 -1.15 0.11 0.15 0.02 0.00 0.00 175.26 174.34 1ffu s LYS 17 N 3.04 1.27 -0.20 1.61 -0.14 -0.22 -5.00 119.74 120.11 1ffu s LYS 17 Ca 0.24 -1.67 -0.00 0.00 -1.36 0.00 0.00 55.97 53.17 1ffu s LYS 17 Cb -0.15 0.06 0.05 0.00 -1.68 0.00 0.00 37.83 36.11 1ffu s LYS 17 CO 0.18 -0.35 -0.03 0.00 -0.76 0.00 0.00 175.35 174.39 1ffu s ALA 18 N -3.99 1.58 0.09 5.17 0.00 -1.26 0.23 121.76 123.59 1ffu s ALA 18 Ca 0.38 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.36 1ffu s ALA 18 Cb 0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1ffu s ALA 18 CO 0.12 -1.03 -0.11 0.14 0.00 0.00 0.00 175.76 174.88 1ffu s VAL 19 N 1.58 0.99 0.48 0.00 -7.23 -0.48 -4.73 120.40 111.02 1ffu s VAL 19 Ca -0.02 -1.58 -0.24 0.00 -1.81 0.00 0.00 61.98 58.33 1ffu s VAL 19 Cb -0.17 -1.30 -0.07 0.00 0.56 0.00 0.00 36.38 35.40 1ffu s VAL 19 CO -0.07 -0.49 1.34 -1.61 -0.31 0.00 0.00 175.10 173.96 1ffu s GLU 20 N -2.58 3.51 0.52 4.82 0.41 -1.26 -0.25 118.70 123.87 1ffu s GLU 20 Ca 0.04 2.21 0.23 0.00 -0.41 0.00 0.00 54.97 57.04 1ffu s GLU 20 Cb -0.04 -2.47 1.34 0.00 -1.78 0.00 0.00 34.13 31.18 1ffu s GLU 20 CO 0.01 -0.89 2.02 -1.35 -0.49 0.00 0.00 175.26 174.56 1ffu h PRO 21 N 1.98 0.04 0.00 0.39 0.11 -1.96 -1.53 132.00 131.03 1ffu h PRO 21 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ffu h PRO 21 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ffu h PRO 21 CO 0.60 0.03 0.00 2.89 -0.21 0.00 0.00 178.00 181.30 1ffu n ARG 22 N -4.42 0.83 -2.16 1.05 1.85 -1.26 -4.66 116.66 107.90 1ffu n ARG 22 Ca 0.08 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.50 1ffu n ARG 22 Cb 0.50 -1.44 -0.02 0.00 -1.05 0.00 0.00 32.46 30.44 1ffu n ARG 22 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ffu s THR 23 N -2.00 3.72 0.44 8.89 2.01 -0.58 -4.98 115.64 123.14 1ffu s THR 23 Ca 0.35 0.78 -0.24 0.00 0.31 0.00 0.00 61.69 62.89 1ffu s THR 23 Cb 0.16 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 1ffu s THR 23 CO 0.27 -0.42 1.23 -0.76 -0.69 0.00 0.00 174.62 174.26 1ffu s LEU 24 N 5.56 4.11 0.31 4.42 1.02 -1.26 -1.42 118.68 131.42 1ffu s LEU 24 Ca 0.70 2.48 0.05 0.00 0.02 0.00 0.00 54.13 57.38 1ffu s LEU 24 Cb -0.22 -4.08 0.67 0.00 0.02 0.00 0.00 46.19 42.59 1ffu s LEU 24 CO 0.30 -0.91 1.85 0.25 0.02 0.00 0.00 176.35 177.86 1ffu h LEU 25 N 2.34 0.81 -0.72 1.79 5.85 -0.31 -1.83 115.31 123.23 1ffu h LEU 25 Ca -0.49 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.32 1ffu h LEU 25 Cb 1.25 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1ffu h LEU 25 CO 0.61 0.42 0.43 -0.29 -0.34 0.00 0.00 178.44 179.27 1ffu h ILE 26 N 0.86 1.03 -0.03 4.05 6.09 -1.45 -0.22 117.51 127.83 1ffu h ILE 26 Ca 0.48 -0.28 -0.16 0.00 -1.37 0.00 0.00 64.86 63.53 1ffu h ILE 26 Cb 0.60 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.02 1ffu h ILE 26 CO -0.24 0.15 -0.71 0.45 -3.07 0.00 0.00 178.15 174.72 1ffu h HIS 27 N 0.81 0.25 -0.25 2.19 3.86 -1.66 -1.38 115.15 118.97 1ffu h HIS 27 Ca 0.31 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1ffu h HIS 27 Cb 0.13 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1ffu h HIS 27 CO -0.05 0.83 0.13 0.35 0.86 0.00 0.00 177.93 180.04 1ffu h PHE 28 N 0.12 0.36 -0.42 2.45 3.57 -0.70 0.95 116.94 123.28 1ffu h PHE 28 Ca -0.02 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1ffu h PHE 28 Cb 1.26 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1ffu h PHE 28 CO 0.02 0.34 0.08 -0.07 -2.23 0.00 0.00 178.31 176.45 1ffu h LEU 29 N 0.28 0.65 0.02 0.59 3.38 -0.96 -1.15 115.31 118.13 1ffu h LEU 29 Ca 0.09 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1ffu h LEU 29 Cb 0.11 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ffu h LEU 29 CO -0.01 0.74 -0.25 0.03 0.09 0.00 0.00 178.44 179.04 1ffu h ARG 30 N 0.54 0.14 0.18 1.13 3.08 -1.10 0.16 114.38 118.52 1ffu h ARG 30 Ca 0.13 -0.17 -0.31 0.00 0.07 0.00 0.00 59.98 59.69 1ffu h ARG 30 Cb 0.36 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1ffu h ARG 30 CO 0.01 0.97 -1.53 0.93 -1.07 0.00 0.00 179.97 179.27 1ffu h GLU 31 N -0.61 0.37 0.01 0.04 4.39 0.85 -2.92 114.58 116.71 1ffu h GLU 31 Ca -0.04 -0.64 -0.27 0.00 0.34 0.00 0.00 59.36 58.75 1ffu h GLU 31 Cb 1.07 0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 1ffu h GLU 31 CO 0.05 1.31 -1.49 1.49 -1.16 0.00 0.00 179.01 179.21 1ffu h GLU 32 N -0.04 0.01 -0.01 2.33 4.57 -1.21 -3.39 114.58 116.85 1ffu h GLU 32 Ca -0.30 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1ffu h GLU 32 Cb 1.98 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.58 1ffu h GLU 32 CO 0.16 0.68 -0.18 1.28 -1.18 0.00 0.00 179.01 179.77 1ffu n LEU 33 N -3.16 1.00 -2.02 1.64 4.77 -1.01 -5.00 117.00 113.23 1ffu n LEU 33 Ca -0.12 -0.74 -0.20 0.00 -0.03 0.00 0.00 56.01 54.92 1ffu n LEU 33 Cb 1.02 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.07 1ffu n LEU 33 CO 0.46 0.21 -0.23 0.59 -1.33 0.00 0.00 177.39 177.08 1ffu n ASN 34 N -0.38 -5.64 -3.80 -1.43 5.03 -1.09 -4.87 115.26 103.09 1ffu n ASN 34 Ca 0.03 0.18 -0.42 0.00 0.87 0.00 0.00 54.58 55.24 1ffu n ASN 34 Cb 0.16 -4.76 0.01 0.00 -1.02 0.00 0.00 39.78 34.16 1ffu n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ffu n LEU 35 N -2.67 6.97 -0.49 3.41 4.77 0.03 -4.82 117.00 124.20 1ffu n LEU 35 Ca -0.23 -4.95 0.00 0.00 -0.03 0.00 0.00 56.01 50.80 1ffu n LEU 35 Cb 0.68 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1ffu n LEU 35 CO 0.29 1.69 0.16 0.35 -1.33 0.00 0.00 177.39 178.56 1ffu n THR 36 N 2.01 0.00 -0.03 -5.08 -2.24 -1.26 -3.78 114.28 103.89 1ffu n THR 36 Ca 0.41 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 62.06 1ffu n THR 36 Cb 0.32 -0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1ffu n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ffu h GLY 37 N 3.57 0.05 -4.06 3.38 0.00 -1.94 -3.43 103.07 100.64 1ffu h GLY 37 Ca 0.00 -0.07 -0.53 0.00 0.00 0.00 0.00 47.33 46.73 1ffu h GLY 37 CO 0.00 0.06 0.77 0.00 0.00 0.00 0.00 176.54 177.37 1ffu s ALA 38 N -3.46 3.61 0.35 3.60 0.00 -1.25 -4.68 121.76 119.92 1ffu s ALA 38 Ca -0.17 1.47 0.08 0.00 0.00 0.00 0.00 51.96 53.34 1ffu s ALA 38 Cb 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 1ffu s ALA 38 CO 0.69 -0.91 -0.05 -1.01 0.00 0.00 0.00 175.76 174.49 1ffu s HIS 39 N -0.68 2.31 -0.21 0.00 3.76 -0.36 -4.93 115.29 115.18 1ffu s HIS 39 Ca 0.55 -0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 54.82 1ffu s HIS 39 Cb -0.45 -1.42 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 1ffu s HIS 39 CO 0.54 0.44 -0.09 0.42 -0.85 0.00 0.00 174.74 175.21 1ffu s ILE 40 N -2.77 3.00 0.00 0.60 1.01 -1.26 -1.70 121.20 120.08 1ffu s ILE 40 Ca 0.33 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1ffu s ILE 40 Cb 0.05 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1ffu s ILE 40 CO 0.16 0.46 0.31 0.61 0.00 0.00 0.00 174.94 176.48 1ffu n GLY 41 N 4.71 -0.56 3.83 6.18 0.00 -1.26 -5.06 105.19 113.03 1ffu n GLY 41 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 1ffu n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu n GLU 43 N -0.60 2.53 -0.06 0.00 0.00 -1.26 -4.71 120.64 116.54 1ffu n GLU 43 Ca -0.05 -1.48 0.02 0.00 0.00 0.00 0.00 57.16 55.66 1ffu n GLU 43 Cb 0.60 -0.98 0.06 0.00 0.00 0.00 0.00 31.44 31.11 1ffu n GLU 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1ffu n THR 44 N -0.52 1.08 -2.15 3.84 -2.24 -1.26 -5.01 114.28 108.02 1ffu n THR 44 Ca 0.01 -1.09 -0.12 0.00 -2.27 0.00 0.00 64.05 60.59 1ffu n THR 44 Cb 0.31 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 1ffu n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ffu n SER 45 N -0.27 -3.88 -0.13 3.42 7.64 -1.26 -4.96 113.62 114.18 1ffu n SER 45 Ca 0.05 0.02 -0.24 0.00 1.01 0.00 0.00 58.87 59.70 1ffu n SER 45 Cb 0.33 -3.04 -0.11 0.00 -1.01 0.00 0.00 64.21 60.38 1ffu n SER 45 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ffu n HIS 46 N -3.89 0.12 -0.17 1.43 8.25 -1.26 -4.74 115.22 114.96 1ffu n HIS 46 Ca -0.14 0.04 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1ffu n HIS 46 Cb 0.59 -1.01 0.01 0.00 1.12 0.00 0.00 29.99 30.70 1ffu n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ffu n GLY 48 N -0.93 0.66 0.17 0.00 0.00 -1.19 -0.05 105.19 103.85 1ffu n GLY 48 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1ffu n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu h ALA 49 N 0.00 1.00 -0.38 4.61 0.00 -1.87 -1.45 119.26 121.18 1ffu h ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ffu h ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ffu h ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1ffu n THR 51 N 1.50 0.55 -4.24 0.00 -1.04 -0.55 -2.79 114.28 107.71 1ffu n THR 51 Ca 0.19 -0.10 -0.14 0.00 -2.04 0.00 0.00 64.05 61.97 1ffu n THR 51 Cb 0.61 -2.07 -0.10 0.00 -1.82 0.00 0.00 70.33 66.95 1ffu n THR 51 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ffu s VAL 52 N 3.62 0.98 -0.35 12.58 -7.23 -0.67 -4.51 120.40 124.82 1ffu s VAL 52 Ca 0.88 -2.02 -0.17 0.00 -1.81 0.00 0.00 61.98 58.86 1ffu s VAL 52 Cb -0.55 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1ffu s VAL 52 CO 0.44 -0.67 0.45 -0.62 -0.31 0.00 0.00 175.10 174.39 1ffu s ASP 53 N -3.16 6.26 -0.20 4.85 2.15 -0.52 -1.65 116.67 124.40 1ffu s ASP 53 Ca 0.18 -0.12 -0.02 0.00 0.43 0.00 0.00 52.55 53.02 1ffu s ASP 53 Cb 0.04 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 1ffu s ASP 53 CO 0.01 -0.43 -0.11 -0.63 -0.17 0.00 0.00 175.17 173.84 1ffu s ILE 54 N 2.24 2.84 -1.53 4.11 1.01 0.61 -0.37 121.20 130.11 1ffu s ILE 54 Ca 0.16 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 1ffu s ILE 54 Cb -0.16 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.11 1ffu s ILE 54 CO 0.13 0.47 0.46 0.47 0.00 0.00 0.00 174.94 176.47 1ffu n ASP 55 N 4.68 -1.00 0.00 3.58 8.00 -0.41 -1.38 116.55 130.01 1ffu n ASP 55 Ca -0.19 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1ffu n ASP 55 Cb 0.51 -2.67 0.00 0.00 -0.02 0.00 0.00 41.12 38.94 1ffu n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ffu n GLY 56 N -1.89 0.55 3.15 0.44 0.00 -1.26 -5.04 105.19 101.14 1ffu n GLY 56 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1ffu n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ffu s ARG 57 N -0.02 0.77 -0.09 1.61 0.52 -0.48 -5.10 118.95 116.16 1ffu s ARG 57 Ca 0.00 -0.96 -0.30 0.00 -0.52 0.00 0.00 55.73 53.96 1ffu s ARG 57 Cb 0.00 -0.67 -0.02 0.00 0.52 0.00 0.00 34.95 34.78 1ffu s ARG 57 CO 0.00 0.14 1.08 -1.12 0.02 0.00 0.00 175.30 175.41 1ffu s SER 58 N -1.84 7.18 0.00 0.23 0.01 -1.26 -0.29 113.70 117.73 1ffu s SER 58 Ca -0.02 1.63 0.01 0.00 1.31 0.00 0.00 55.95 58.87 1ffu s SER 58 Cb -0.09 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.58 1ffu s SER 58 CO 0.02 -0.50 -0.02 -0.69 0.41 0.00 0.00 173.24 172.46 1ffu s VAL 59 N 2.10 0.15 -0.66 3.43 1.01 -0.66 -4.94 120.40 120.83 1ffu s VAL 59 Ca 0.51 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 1ffu s VAL 59 Cb -0.20 -0.15 0.04 0.00 0.00 0.00 0.00 36.38 36.07 1ffu s VAL 59 CO 0.19 -0.00 1.11 -0.54 0.00 0.00 0.00 175.10 175.86 1ffu s LYS 60 N -0.17 3.23 0.29 2.72 1.02 -1.26 -1.66 119.74 123.91 1ffu s LYS 60 Ca -0.01 -0.37 0.15 0.00 0.02 0.00 0.00 55.97 55.77 1ffu s LYS 60 Cb -0.01 -4.15 0.81 0.00 -0.52 0.00 0.00 37.83 33.96 1ffu s LYS 60 CO -0.00 -1.87 1.39 -1.13 -0.92 0.00 0.00 175.35 172.83 1ffu n SER 61 N 8.39 0.39 -0.04 2.83 3.41 -1.12 -0.97 113.62 126.51 1ffu n SER 61 Ca 0.01 0.62 0.14 0.00 -0.26 0.00 0.00 58.87 59.39 1ffu n SER 61 Cb 0.48 -0.62 0.66 0.00 -0.26 0.00 0.00 64.21 64.47 1ffu n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ffu n THR 63 N -1.21 1.99 -3.70 0.00 -1.04 -0.14 -4.91 114.28 105.26 1ffu n THR 63 Ca 0.13 -3.65 -0.14 0.00 -2.04 0.00 0.00 64.05 58.35 1ffu n THR 63 Cb 0.27 -0.10 -0.09 0.00 -1.82 0.00 0.00 70.33 68.59 1ffu n THR 63 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1ffu s HIS 64 N -3.66 -0.47 0.04 -1.42 5.04 -1.24 -4.95 115.29 108.65 1ffu s HIS 64 Ca 0.41 1.06 -0.14 0.00 -1.54 0.00 0.00 55.06 54.85 1ffu s HIS 64 Cb 0.37 0.18 -0.06 0.00 0.04 0.00 0.00 32.58 33.12 1ffu s HIS 64 CO 0.00 -0.31 0.45 -0.51 -2.34 0.00 0.00 174.74 172.03 1ffu s LEU 65 N -0.19 4.44 0.29 8.88 1.43 -1.26 -0.31 118.68 131.97 1ffu s LEU 65 Ca -0.04 0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 54.03 1ffu s LEU 65 Cb -0.03 -2.79 0.41 0.00 0.03 0.00 0.00 46.19 43.81 1ffu s LEU 65 CO 0.02 0.26 1.94 0.00 0.23 0.00 0.00 176.35 178.80 1ffu h ALA 66 N 4.36 1.36 0.00 4.21 0.00 -1.48 -1.44 119.26 126.26 1ffu h ALA 66 Ca -0.51 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1ffu h ALA 66 Cb 1.21 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ffu h ALA 66 CO 0.63 0.56 0.00 1.55 0.00 0.00 0.00 179.25 181.99 1ffu n VAL 67 N -4.38 1.34 0.96 0.00 3.14 -1.26 -0.29 118.33 117.83 1ffu n VAL 67 Ca 0.09 0.51 0.12 0.00 -2.96 0.00 0.00 64.34 62.10 1ffu n VAL 67 Cb 0.06 -1.47 0.28 0.00 -1.06 0.00 0.00 33.84 31.65 1ffu n VAL 67 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ffu n GLN 68 N -1.89 2.10 -0.40 1.45 6.02 -0.54 -4.20 117.38 119.92 1ffu n GLN 68 Ca 0.00 -1.64 0.08 0.00 -0.01 0.00 0.00 57.00 55.43 1ffu n GLN 68 Cb 0.07 -1.46 0.24 0.00 1.02 0.00 0.00 30.24 30.11 1ffu n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ffu s ASP 70 N -1.63 4.99 0.00 0.00 2.15 -1.26 -0.53 116.67 120.39 1ffu s ASP 70 Ca 0.38 1.00 0.00 0.00 0.43 0.00 0.00 52.55 54.36 1ffu s ASP 70 Cb 0.29 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1ffu s ASP 70 CO 0.11 -2.47 0.00 0.61 -0.17 0.00 0.00 175.17 173.25 1ffu n GLY 71 N 5.81 0.53 3.80 2.66 0.00 0.40 -4.94 105.19 113.44 1ffu n GLY 71 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1ffu n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ffu s SER 72 N -2.91 4.56 -0.44 1.61 0.01 0.31 -4.81 113.70 112.04 1ffu s SER 72 Ca 0.00 1.40 -0.08 0.00 1.31 0.00 0.00 55.95 58.58 1ffu s SER 72 Cb 0.00 -2.16 0.10 0.00 0.21 0.00 0.00 66.02 64.17 1ffu s SER 72 CO 0.00 -1.94 0.28 -1.61 0.41 0.00 0.00 173.24 170.38 1ffu s GLU 73 N -5.10 2.46 -0.14 12.44 0.41 -1.26 -1.74 118.70 125.77 1ffu s GLU 73 Ca 0.60 -1.63 -0.06 0.00 -0.41 0.00 0.00 54.97 53.47 1ffu s GLU 73 Cb -0.15 -3.80 -0.04 0.00 -1.78 0.00 0.00 34.13 28.37 1ffu s GLU 73 CO 0.55 -1.06 0.06 0.08 -0.49 0.00 0.00 175.26 174.40 1ffu s VAL 74 N 1.35 4.84 -0.14 2.63 1.01 0.16 -1.29 120.40 128.96 1ffu s VAL 74 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1ffu s VAL 74 Cb -0.24 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1ffu s VAL 74 CO -0.00 0.54 -0.20 -0.76 0.00 0.00 0.00 175.10 174.68 1ffu s LEU 75 N -0.30 2.24 0.39 3.92 1.43 0.51 -0.13 118.68 126.73 1ffu s LEU 75 Ca 0.09 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1ffu s LEU 75 Cb -0.12 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 1ffu s LEU 75 CO 0.02 0.09 0.01 0.42 0.23 0.00 0.00 176.35 177.12 1ffu s THR 76 N 0.76 2.18 0.44 5.49 -4.23 -1.26 -1.44 115.64 117.58 1ffu s THR 76 Ca -0.08 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.58 1ffu s THR 76 Cb -0.16 -2.89 0.33 0.00 1.34 0.00 0.00 72.50 71.11 1ffu s THR 76 CO -0.00 -0.07 1.99 1.62 -0.54 0.00 0.00 174.62 177.62 1ffu h VAL 77 N 1.78 0.90 0.00 2.29 3.04 -1.91 0.32 116.25 122.67 1ffu h VAL 77 Ca -0.43 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1ffu h VAL 77 Cb 1.25 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1ffu h VAL 77 CO 0.75 0.07 0.00 -0.62 -1.01 0.00 0.00 177.57 176.76 1ffu n GLU 78 N -4.47 0.01 -0.10 4.17 4.71 -1.26 -2.23 120.64 121.47 1ffu n GLU 78 Ca 0.09 0.40 0.04 0.00 -0.01 0.00 0.00 57.16 57.68 1ffu n GLU 78 Cb 0.36 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.39 1ffu n GLU 78 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ffu n GLY 79 N -0.96 1.96 0.18 0.62 0.00 0.10 -4.68 105.19 102.41 1ffu n GLY 79 Ca 0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1ffu n GLY 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ffu h LEU 80 N 1.59 0.66-10.14 0.99 3.38 -1.52 -3.45 115.31 106.81 1ffu h LEU 80 Ca 0.00 -0.59 -0.52 0.00 0.09 0.00 0.00 57.88 56.86 1ffu h LEU 80 Cb 0.60 -0.19 0.11 0.00 0.09 0.00 0.00 40.66 41.26 1ffu h LEU 80 CO 0.00 1.14 0.41 0.00 0.09 0.00 0.00 178.44 180.08 1ffu s ALA 81 N -3.88 2.47 -0.14 1.53 0.00 -1.26 -4.28 121.76 116.20 1ffu s ALA 81 Ca -0.13 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 1ffu s ALA 81 Cb 0.07 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1ffu s ALA 81 CO 0.83 -1.25 -0.03 1.21 0.00 0.00 0.00 175.76 176.52 1ffu s ASN 82 N -2.05 2.42 -1.75 0.00 2.47 -0.40 -4.76 114.94 110.87 1ffu s ASN 82 Ca 0.72 -0.48 -0.00 0.00 0.42 0.00 0.00 52.86 53.52 1ffu s ASN 82 Cb -0.25 -0.73 0.00 0.00 -1.45 0.00 0.00 41.25 38.81 1ffu s ASN 82 CO 0.37 -0.19 0.01 1.17 -3.72 0.00 0.00 177.10 174.74 1ffu n LYS 83 N 4.98 -1.78 0.00 0.43 4.81 -1.26 -1.30 118.16 124.05 1ffu n LYS 83 Ca -0.10 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1ffu n LYS 83 Cb 0.49 -5.66 0.00 0.00 0.02 0.00 0.00 35.03 29.87 1ffu n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ffu n GLY 84 N -1.02 3.02 3.67 3.14 0.00 -1.26 -5.02 105.19 107.73 1ffu n GLY 84 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1ffu n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ffu s VAL 85 N -1.94 4.07 0.35 1.61 1.01 -0.42 -4.98 120.40 120.11 1ffu s VAL 85 Ca 0.00 1.36 -0.28 0.00 0.00 0.00 0.00 61.98 63.06 1ffu s VAL 85 Cb 0.00 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 1ffu s VAL 85 CO 0.00 -0.06 1.44 -0.76 0.00 0.00 0.00 175.10 175.71 1ffu s LEU 86 N 2.99 4.35 0.54 3.92 1.43 -1.26 -1.27 118.68 129.38 1ffu s LEU 86 Ca 0.59 2.92 -0.20 0.00 -1.03 0.00 0.00 54.13 56.42 1ffu s LEU 86 Cb -0.26 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.25 1ffu s LEU 86 CO 0.21 -0.77 1.15 -2.28 0.23 0.00 0.00 176.35 174.89 1ffu s HIS 87 N -1.03 2.64 0.49 0.29 5.65 -1.26 -4.75 115.29 117.32 1ffu s HIS 87 Ca 0.52 1.54 0.32 0.00 0.25 0.00 0.00 55.06 57.69 1ffu s HIS 87 Cb -0.44 -3.33 1.44 0.00 -1.18 0.00 0.00 32.58 29.06 1ffu s HIS 87 CO 0.59 -1.69 1.74 0.00 -0.65 0.00 0.00 174.74 174.73 1ffu h ALA 88 N 1.22 2.91 -0.10 1.58 0.00 -1.93 0.10 119.26 123.04 1ffu h ALA 88 Ca -0.50 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 1ffu h ALA 88 Cb 1.27 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ffu h ALA 88 CO 0.57 -1.34 -0.72 0.28 0.00 0.00 0.00 179.25 178.03 1ffu h VAL 89 N 0.12 1.35 -0.17 0.00 2.07 -1.90 -0.39 116.25 117.34 1ffu h VAL 89 Ca 0.66 -2.08 -0.22 0.00 0.82 0.00 0.00 66.70 65.88 1ffu h VAL 89 Cb 2.29 2.05 0.01 0.00 -1.52 0.00 0.00 31.29 34.12 1ffu h VAL 89 CO -0.15 0.63 -0.75 1.56 0.02 0.00 0.00 177.57 178.88 1ffu h GLN 90 N 0.34 0.80 -0.54 1.57 4.20 -1.18 -2.59 115.11 117.71 1ffu h GLN 90 Ca -0.03 -0.63 -0.08 0.00 0.06 0.00 0.00 58.65 57.97 1ffu h GLN 90 Cb 1.30 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.19 1ffu h GLN 90 CO 0.13 1.24 0.03 1.49 -0.67 0.00 0.00 178.83 181.05 1ffu h GLU 91 N 0.55 0.90 -0.38 1.46 4.81 -1.31 -2.33 114.58 118.28 1ffu h GLU 91 Ca -0.04 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1ffu h GLU 91 Cb 1.38 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1ffu h GLU 91 CO 0.16 0.88 0.20 0.78 -0.73 0.00 0.00 179.01 180.29 1ffu h GLY 92 N 1.00 0.57 2.00 1.92 0.00 -0.94 0.29 103.07 107.91 1ffu h GLY 92 Ca 0.16 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 1ffu h GLY 92 CO 0.02 0.25 -0.41 0.74 0.00 0.00 0.00 176.54 177.15 1ffu h PHE 93 N 0.48 0.00 0.08 5.60 -1.00 -1.32 -1.67 116.94 119.11 1ffu h PHE 93 Ca 0.13 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 1ffu h PHE 93 Cb 0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.63 1ffu h PHE 93 CO -0.02 0.41 -0.04 -0.92 -1.61 0.00 0.00 178.31 176.13 1ffu h TYR 94 N 0.00 -0.10 -0.44 -0.55 3.20 -1.12 0.16 116.97 118.13 1ffu h TYR 94 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1ffu h TYR 94 Cb 0.79 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1ffu h TYR 94 CO 0.00 0.43 0.18 0.87 -1.64 0.00 0.00 178.16 178.01 1ffu h LYS 95 N -0.91 0.63 -0.51 1.82 1.79 -0.97 -2.84 116.57 115.57 1ffu h LYS 95 Ca -0.01 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1ffu h LYS 95 Cb 0.57 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1ffu h LYS 95 CO 0.02 0.51 0.00 0.39 -1.08 0.00 0.00 179.45 179.29 1ffu n GLU 96 N -4.37 2.39 -3.61 3.15 -0.58 -0.63 -4.96 120.64 112.03 1ffu n GLU 96 Ca 0.03 -2.14 -0.20 0.00 -0.42 0.00 0.00 57.16 54.43 1ffu n GLU 96 Cb 0.14 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.58 1ffu n GLU 96 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1ffu n HIS 97 N 1.28 -2.01 0.64 -0.32 -0.00 -1.04 -4.80 115.22 108.96 1ffu n HIS 97 Ca 0.20 0.88 0.02 0.00 -0.00 0.00 0.00 57.72 58.82 1ffu n HIS 97 Cb 0.53 -4.63 0.12 0.00 -0.00 0.00 0.00 29.99 26.01 1ffu n HIS 97 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ffu n GLY 98 N -1.43 1.49 3.43 1.57 0.00 0.54 -4.79 105.19 105.99 1ffu n GLY 98 Ca -0.29 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1ffu n GLY 98 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ffu s LEU 99 N -0.88 -0.06 0.00 0.99 2.34 -1.26 -4.71 118.68 115.10 1ffu s LEU 99 Ca 0.16 0.77 0.00 0.00 0.06 0.00 0.00 54.13 55.13 1ffu s LEU 99 Cb 0.11 1.95 0.00 0.00 -0.56 0.00 0.00 46.19 47.69 1ffu s LEU 99 CO 0.06 -0.37 0.00 0.00 -1.06 0.00 0.00 176.35 174.98 1ffu n GLN 100 N 1.91 0.00 0.17 1.48 6.02 -1.26 -4.84 117.38 120.85 1ffu n GLN 100 Ca -0.17 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.86 1ffu n GLN 100 Cb 0.56 0.00 0.27 0.00 1.02 0.00 0.00 30.24 32.10 1ffu n GLN 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ffu n GLY 102 N 0.32 0.48 0.15 0.00 0.00 -1.26 -4.95 105.19 99.92 1ffu n GLY 102 Ca -0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 1ffu n GLY 102 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ffu h PHE 103 N 0.00 0.64 0.00 1.61 3.57 -1.99 -3.21 116.94 117.56 1ffu h PHE 103 Ca -0.01 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1ffu h PHE 103 Cb 0.08 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1ffu h PHE 103 CO 0.04 1.22 -0.56 0.00 -2.23 0.00 0.00 178.31 176.78 1ffu h THR 105 N 0.00 0.45 -0.84 0.00 2.02 -1.93 0.05 112.91 112.66 1ffu h THR 105 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1ffu h THR 105 Cb 0.67 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1ffu h THR 105 CO 0.00 0.00 0.48 -0.65 0.37 0.00 0.00 175.52 175.72 1ffu h PRO 106 N -0.21 0.77 -0.49 6.66 0.11 -1.78 0.16 132.00 137.22 1ffu h PRO 106 Ca 0.14 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.07 1ffu h PRO 106 Cb 0.42 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1ffu h PRO 106 CO -0.36 0.51 -0.22 0.78 -0.21 0.00 0.00 178.00 178.50 1ffu h GLY 107 N 0.80 1.09 0.98 -0.55 0.00 -1.56 -1.88 103.07 101.94 1ffu h GLY 107 Ca 0.41 -0.97 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 1ffu h GLY 107 CO -0.25 0.89 0.18 -0.33 0.00 0.00 0.00 176.54 177.02 1ffu h MET 108 N 0.87 0.79 -0.13 4.80 2.86 -0.35 -1.73 114.93 122.04 1ffu h MET 108 Ca 0.11 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1ffu h MET 108 Cb 0.80 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1ffu h MET 108 CO 0.07 0.72 0.05 -0.07 1.06 0.00 0.00 176.91 178.73 1ffu h LEU 109 N 0.70 0.18 -1.08 1.22 3.38 -0.59 0.23 115.31 119.35 1ffu h LEU 109 Ca 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ffu h LEU 109 Cb 0.25 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1ffu h LEU 109 CO -0.01 0.30 0.40 0.24 0.09 0.00 0.00 178.44 179.46 1ffu h MET 110 N 0.04 1.04 -0.09 1.13 2.86 -1.28 0.13 114.93 118.76 1ffu h MET 110 Ca 0.04 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1ffu h MET 110 Cb 0.18 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1ffu h MET 110 CO -0.00 0.77 -0.05 -0.09 1.06 0.00 0.00 176.91 178.60 1ffu h ARG 111 N 1.04 0.19 -1.00 1.72 9.65 -1.10 -2.84 114.38 122.04 1ffu h ARG 111 Ca 0.26 -0.09 0.06 0.00 -1.10 0.00 0.00 59.98 59.11 1ffu h ARG 111 Cb 0.04 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.56 1ffu h ARG 111 CO -0.04 0.56 0.65 0.00 2.80 0.00 0.00 179.97 183.94 1ffu h ALA 112 N 0.63 1.38 -0.62 2.80 0.00 -0.11 0.22 119.26 123.56 1ffu h ALA 112 Ca 0.02 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1ffu h ALA 112 Cb 0.50 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1ffu h ALA 112 CO 0.01 0.48 0.32 -0.92 0.00 0.00 0.00 179.25 179.14 1ffu h TYR 113 N 1.21 0.58 0.17 0.00 3.20 -0.68 -1.09 116.97 120.35 1ffu h TYR 113 Ca 0.42 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 62.08 1ffu h TYR 113 Cb 0.11 -0.17 0.03 0.00 1.54 0.00 0.00 36.73 38.24 1ffu h TYR 113 CO -0.00 0.26 -1.04 -0.09 -1.64 0.00 0.00 178.16 175.65 1ffu h ARG 114 N 0.59 0.41 -0.73 1.82 9.65 -1.13 -3.33 114.38 121.65 1ffu h ARG 114 Ca 0.28 -0.66 0.10 0.00 -1.10 0.00 0.00 59.98 58.60 1ffu h ARG 114 Cb 0.21 0.24 -0.08 0.00 -1.39 0.00 0.00 29.97 28.96 1ffu h ARG 114 CO -0.20 1.31 0.36 0.35 2.80 0.00 0.00 179.97 184.59 1ffu h PHE 115 N -0.14 0.64 0.00 2.20 3.57 -0.44 -0.60 116.94 122.17 1ffu h PHE 115 Ca -0.18 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1ffu h PHE 115 Cb 1.81 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.37 1ffu h PHE 115 CO 0.17 0.21 0.00 -0.07 -2.23 0.00 0.00 178.31 176.39 1ffu h LEU 116 N 0.59 0.00 0.04 0.59 4.07 -1.31 0.17 115.31 119.45 1ffu h LEU 116 Ca 0.37 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 58.00 1ffu h LEU 116 Cb 0.42 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 1ffu h LEU 116 CO -0.29 0.00 -1.89 0.00 -1.08 0.00 0.00 178.44 175.17 1ffu n GLN 117 N -2.52 0.68 -0.01 1.13 6.02 -0.30 -3.06 117.38 119.31 1ffu n GLN 117 Ca -0.01 0.25 -0.09 0.00 -0.01 0.00 0.00 57.00 57.15 1ffu n GLN 117 Cb 0.12 -1.73 0.08 0.00 1.02 0.00 0.00 30.24 29.73 1ffu n GLN 117 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ffu h GLU 118 N 0.02 0.58 -2.28 -1.09 5.08 -0.53 -3.40 114.58 112.96 1ffu h GLU 118 Ca -0.36 -0.33 -0.43 0.00 -1.00 0.00 0.00 59.36 57.24 1ffu h GLU 118 Cb 2.04 0.02 -0.35 0.00 0.50 0.00 0.00 28.75 30.96 1ffu h GLU 118 CO 0.07 0.92 -0.73 1.21 -1.00 0.00 0.00 179.01 179.49 1ffu s ASN 119 N -6.88 2.10 0.28 1.42 3.84 0.47 -5.04 114.94 111.13 1ffu s ASN 119 Ca -0.08 -1.47 -0.01 0.00 0.21 0.00 0.00 52.86 51.51 1ffu s ASN 119 Cb 0.12 0.18 0.41 0.00 -0.55 0.00 0.00 41.25 41.40 1ffu s ASN 119 CO 0.83 -0.33 1.86 -0.65 -2.79 0.00 0.00 177.10 176.02 1ffu h PRO 120 N 7.56 0.88 -2.19 0.43 0.11 -1.76 -3.35 132.00 133.68 1ffu h PRO 120 Ca -0.03 -0.15 -0.60 0.00 0.11 0.00 0.00 66.00 65.33 1ffu h PRO 120 Cb 1.03 -0.15 -0.42 0.00 0.11 0.00 0.00 31.00 31.57 1ffu h PRO 120 CO 0.29 0.74 -0.61 0.27 -0.21 0.00 0.00 178.00 178.48 1ffu n ASN 121 N -4.31 3.70 -4.76 -2.05 6.94 -1.26 -4.85 115.26 108.68 1ffu n ASN 121 Ca 0.05 -3.44 -0.40 0.00 -0.02 0.00 0.00 54.58 50.77 1ffu n ASN 121 Cb 0.18 -0.67 -0.05 0.00 -2.36 0.00 0.00 39.78 36.88 1ffu n ASN 121 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ffu s PRO 122 N -2.48 4.76 0.83 -0.53 0.04 -1.26 -5.07 135.00 131.30 1ffu s PRO 122 Ca 0.40 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 1ffu s PRO 122 Cb 0.15 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.59 1ffu s PRO 122 CO -0.02 0.40 1.20 0.95 0.04 0.00 0.00 177.00 179.57 1ffu s THR 123 N -1.21 2.02 0.11 1.26 -4.23 -1.26 -4.83 115.64 107.49 1ffu s THR 123 Ca 0.43 -0.02 -0.21 0.00 -1.18 0.00 0.00 61.69 60.71 1ffu s THR 123 Cb -0.27 -3.00 -0.10 0.00 1.34 0.00 0.00 72.50 70.47 1ffu s THR 123 CO 0.34 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 176.10 1ffu h GLU 124 N -1.14 0.15 -0.67 3.99 4.81 -1.98 -1.00 114.58 118.75 1ffu h GLU 124 Ca -0.46 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.84 1ffu h GLU 124 Cb 1.31 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 1ffu h GLU 124 CO 0.60 0.10 0.34 0.00 -0.73 0.00 0.00 179.01 179.33 1ffu h ALA 125 N 1.05 0.90 -0.41 2.92 0.00 -1.99 -0.63 119.26 121.09 1ffu h ALA 125 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ffu h ALA 125 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ffu h ALA 125 CO -0.01 -0.03 0.04 0.93 0.00 0.00 0.00 179.25 180.18 1ffu h GLU 126 N 0.61 0.64 0.14 0.00 5.08 -1.83 -0.81 114.58 118.42 1ffu h GLU 126 Ca 0.31 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1ffu h GLU 126 Cb 0.28 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ffu h GLU 126 CO -0.23 0.64 -0.07 0.82 -1.00 0.00 0.00 179.01 179.17 1ffu h ILE 127 N 0.62 1.01 -0.86 3.13 2.04 0.12 0.61 117.51 124.18 1ffu h ILE 127 Ca 0.13 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.37 1ffu h ILE 127 Cb 0.33 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 1ffu h ILE 127 CO 0.01 0.16 0.54 0.03 0.00 0.00 0.00 178.15 178.88 1ffu h ARG 128 N -0.51 0.96 -0.13 2.37 3.08 -1.00 0.01 114.38 119.17 1ffu h ARG 128 Ca -0.02 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1ffu h ARG 128 Cb 0.40 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1ffu h ARG 128 CO 0.03 0.64 -0.25 1.98 -1.07 0.00 0.00 179.97 181.30 1ffu h MET 129 N 0.99 0.39 0.00 0.04 4.05 -1.08 -2.83 114.93 116.50 1ffu h MET 129 Ca 0.37 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1ffu h MET 129 Cb 0.13 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1ffu h MET 129 CO -0.16 0.85 0.00 0.78 0.23 0.00 0.00 176.91 178.61 1ffu h GLY 130 N -0.02 0.00 -1.45 1.39 0.00 0.76 -2.20 103.07 101.54 1ffu h GLY 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ffu h GLY 130 CO 0.06 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.63 1ffu n MET 131 N -2.45 2.92 0.32 4.80 2.81 -0.06 -4.73 117.12 120.73 1ffu n MET 131 Ca -0.00 -2.27 0.20 0.00 -1.81 0.00 0.00 57.70 53.81 1ffu n MET 131 Cb 0.13 -1.43 1.09 0.00 -0.71 0.00 0.00 33.22 32.30 1ffu n MET 131 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1ffu h THR 132 N 2.11 0.16 -0.00 2.03 1.35 -1.14 -2.39 112.91 115.02 1ffu h THR 132 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ffu h THR 132 Cb 0.92 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1ffu h THR 132 CO 0.06 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1ffu n GLY 133 N -1.17 -0.91 3.23 5.82 0.00 -1.26 -4.74 105.19 106.16 1ffu n GLY 133 Ca -0.03 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1ffu n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ffu s ASN 134 N -2.06 3.64 0.09 1.61 0.01 -0.90 -3.20 114.94 114.13 1ffu s ASN 134 Ca 0.45 -0.50 -0.09 0.00 -0.71 0.00 0.00 52.86 52.01 1ffu s ASN 134 Cb 0.22 -1.57 -0.06 0.00 0.41 0.00 0.00 41.25 40.25 1ffu s ASN 134 CO 0.38 0.04 0.39 -0.76 -1.51 0.00 0.00 177.10 175.63 1ffu s LEU 135 N 1.08 4.33 -0.02 0.60 1.02 0.93 -5.00 118.68 121.62 1ffu s LEU 135 Ca -0.00 0.74 0.00 0.00 0.02 0.00 0.00 54.13 54.88 1ffu s LEU 135 Cb -0.14 -3.02 0.02 0.00 0.02 0.00 0.00 46.19 43.07 1ffu s LEU 135 CO -0.04 0.15 0.02 0.00 0.02 0.00 0.00 176.35 176.50 1ffu n ARG 137 N 4.00 0.63 -0.12 0.00 5.12 -1.26 -4.67 116.66 120.35 1ffu n ARG 137 Ca -0.25 -0.04 -0.26 0.00 -1.93 0.00 0.00 57.85 55.37 1ffu n ARG 137 Cb 0.52 -1.68 -0.11 0.00 -1.16 0.00 0.00 32.46 30.03 1ffu n ARG 137 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ffu h THR 139 N -0.82 1.45 0.00 0.00 1.35 -1.92 -3.48 112.91 109.49 1ffu h THR 139 Ca -0.59 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.06 1ffu h THR 139 Cb 1.60 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 1ffu h THR 139 CO -0.31 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1ffu n GLY 140 N 0.39 0.67 4.49 5.82 0.00 -1.26 -4.17 105.19 111.14 1ffu n GLY 140 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ffu n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ffu n TYR 141 N -2.63 0.00 0.03 1.61 4.01 -1.26 -4.83 117.16 114.08 1ffu n TYR 141 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1ffu n TYR 141 Cb 0.00 -0.18 -0.04 0.00 -0.31 0.00 0.00 39.34 38.81 1ffu n TYR 141 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1ffu h GLN 142 N 0.36 -0.37 0.00 -0.72 4.15 -2.01 -1.45 115.11 115.07 1ffu h GLN 142 Ca 0.00 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1ffu h GLN 142 Cb 0.00 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1ffu h GLN 142 CO 0.00 -0.25 -0.02 -0.91 -1.93 0.00 0.00 178.83 175.72 1ffu h ASN 143 N -0.39 0.00 -0.23 -0.69 4.21 -1.87 -2.83 115.58 113.79 1ffu h ASN 143 Ca 0.08 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.49 1ffu h ASN 143 Cb 0.51 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1ffu h ASN 143 CO -0.29 0.02 -0.27 0.40 -1.29 0.00 0.00 177.43 175.99 1ffu h ILE 144 N 0.00 1.32 0.00 2.81 2.04 -1.58 0.33 117.51 122.43 1ffu h ILE 144 Ca -0.00 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.33 1ffu h ILE 144 Cb 0.52 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1ffu h ILE 144 CO 0.00 0.45 -0.33 -0.37 0.00 0.00 0.00 178.15 177.91 1ffu h VAL 145 N 0.28 1.14 -0.21 1.67 -1.51 -1.12 -0.83 116.25 115.66 1ffu h VAL 145 Ca 0.03 -1.16 -0.15 0.00 -1.23 0.00 0.00 66.70 64.19 1ffu h VAL 145 Cb 0.84 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1ffu h VAL 145 CO 0.07 0.32 -0.50 0.11 -1.23 0.00 0.00 177.57 176.34 1ffu h LYS 146 N 0.00 0.57 -0.43 5.19 1.57 -1.28 -1.51 116.57 120.68 1ffu h LYS 146 Ca -0.00 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1ffu h LYS 146 Cb 0.61 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1ffu h LYS 146 CO 0.04 0.94 0.08 0.00 -0.57 0.00 0.00 179.45 179.94 1ffu h ALA 147 N 1.01 0.57 -0.44 3.86 0.00 -0.00 -0.62 119.26 123.63 1ffu h ALA 147 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1ffu h ALA 147 Cb 1.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1ffu h ALA 147 CO 0.09 0.27 -0.13 0.28 0.00 0.00 0.00 179.25 179.77 1ffu h VAL 148 N 0.56 1.26 -0.23 0.00 2.07 -1.08 -0.59 116.25 118.25 1ffu h VAL 148 Ca 0.13 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 1ffu h VAL 148 Cb 0.35 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1ffu h VAL 148 CO 0.01 0.42 -0.19 1.56 0.02 0.00 0.00 177.57 179.38 1ffu h GLN 149 N 0.73 0.40 -0.18 1.57 4.20 -1.00 0.11 115.11 120.95 1ffu h GLN 149 Ca 0.12 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1ffu h GLN 149 Cb 0.63 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1ffu h GLN 149 CO 0.04 0.58 -0.17 -0.92 -0.67 0.00 0.00 178.83 177.70 1ffu h TYR 150 N 0.37 0.52 -0.52 2.96 5.03 -0.66 -2.04 116.97 122.62 1ffu h TYR 150 Ca 0.06 -0.15 -0.07 0.00 2.58 0.00 0.00 58.73 61.15 1ffu h TYR 150 Cb 0.55 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.69 1ffu h TYR 150 CO 0.01 0.79 0.02 0.00 -1.32 0.00 0.00 178.16 177.67 1ffu h ALA 151 N 0.64 1.07 -0.07 1.82 0.00 -0.78 -1.68 119.26 120.26 1ffu h ALA 151 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ffu h ALA 151 Cb 0.70 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ffu h ALA 151 CO 0.04 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.93 1ffu h ALA 152 N 1.22 0.09 -0.61 0.00 0.00 -0.72 -1.53 119.26 117.71 1ffu h ALA 152 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ffu h ALA 152 Cb 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1ffu h ALA 152 CO 0.02 -0.41 0.31 0.00 0.00 0.00 0.00 179.25 179.16 1ffu h ARG 153 N 0.08 0.87 -0.26 0.00 3.08 -1.15 -2.82 114.38 114.18 1ffu h ARG 153 Ca 0.02 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1ffu h ARG 153 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1ffu h ARG 153 CO -0.01 0.69 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.24 1ffu h LYS 154 N 0.83 0.43 0.00 0.04 3.64 -1.10 -2.38 116.57 118.04 1ffu h LYS 154 Ca 0.21 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1ffu h LYS 154 Cb 0.10 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ffu h LYS 154 CO -0.03 0.56 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.39 1ffu h LEU 155 N 0.40 0.00 -1.41 5.20 3.38 -1.05 -2.85 115.31 118.98 1ffu h LEU 155 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ffu h LEU 155 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ffu h LEU 155 CO 0.03 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1ffu n GLN 156 N -3.48 1.93 0.00 1.13 6.02 -0.91 -5.11 117.38 116.95 1ffu n GLN 156 Ca -0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1ffu n GLN 156 Cb 0.42 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1ffu n GLN 156 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14