#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffu s LYS 4 N 0.00 3.39 -0.15 1.97 2.20 -0.61 -4.88 119.74 121.66 1ffu s LYS 4 Ca 0.00 -0.49 -0.26 0.00 -0.36 0.00 0.00 55.97 54.86 1ffu s LYS 4 Cb 0.00 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 1ffu s LYS 4 CO 0.00 0.41 0.86 0.42 -0.36 0.00 0.00 175.35 176.68 1ffu s ILE 5 N -0.09 4.87 0.30 5.43 1.01 -1.26 -1.72 121.20 129.74 1ffu s ILE 5 Ca 0.02 1.71 0.06 0.00 0.00 0.00 0.00 60.65 62.44 1ffu s ILE 5 Cb -0.13 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 1ffu s ILE 5 CO 0.02 0.04 -0.02 0.27 0.00 0.00 0.00 174.94 175.25 1ffu s ILE 6 N 2.04 1.53 -0.20 2.92 -4.36 0.69 -4.97 121.20 118.85 1ffu s ILE 6 Ca 0.40 -2.08 -0.03 0.00 -0.26 0.00 0.00 60.65 58.69 1ffu s ILE 6 Cb -0.17 -2.57 0.06 0.00 1.25 0.00 0.00 42.46 41.03 1ffu s ILE 6 CO 0.14 -0.21 0.03 -0.89 0.24 0.00 0.00 174.94 174.25 1ffu s THR 7 N -3.08 0.58 -0.07 8.37 2.01 -1.26 -0.82 115.64 121.38 1ffu s THR 7 Ca 0.32 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1ffu s THR 7 Cb 0.06 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1ffu s THR 7 CO 0.13 -0.21 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.99 1ffu s VAL 8 N 1.83 2.75 -0.48 3.82 1.01 -0.48 0.24 120.40 129.08 1ffu s VAL 8 Ca -0.01 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 1ffu s VAL 8 Cb -0.17 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.18 1ffu s VAL 8 CO -0.08 0.57 0.69 0.20 0.00 0.00 0.00 175.10 176.48 1ffu s ASN 9 N -0.35 6.30 -0.24 3.32 -0.87 -0.66 -0.16 114.94 122.28 1ffu s ASN 9 Ca 0.03 -0.52 -0.04 0.00 -1.57 0.00 0.00 52.86 50.75 1ffu s ASN 9 Cb -0.12 -2.33 -0.00 0.00 -0.02 0.00 0.00 41.25 38.77 1ffu s ASN 9 CO 0.02 -0.89 -0.02 -0.69 -2.57 0.00 0.00 177.10 172.95 1ffu s VAL 10 N 2.95 3.45 -1.45 1.60 1.01 0.73 -0.29 120.40 128.41 1ffu s VAL 10 Ca 0.22 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1ffu s VAL 10 Cb -0.15 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.65 1ffu s VAL 10 CO 0.17 0.35 0.98 0.59 0.00 0.00 0.00 175.10 177.18 1ffu n ASN 11 N 4.80 -4.36 0.00 3.32 3.02 0.28 -1.83 115.26 120.49 1ffu n ASN 11 Ca -0.17 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1ffu n ASN 11 Cb 0.50 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 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 -1.71 1.04 3.27 7.41 0.00 -1.26 -5.00 105.19 108.93 1ffu n GLY 12 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.16 2.35 0.27 1.61 2.20 -0.76 -5.09 119.74 120.16 1ffu s LYS 13 Ca 0.00 -0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 54.43 1ffu s LYS 13 Cb 0.00 -2.07 -0.09 0.00 -1.51 0.00 0.00 37.83 34.16 1ffu s LYS 13 CO 0.00 0.42 1.21 0.00 -0.36 0.00 0.00 175.35 176.63 1ffu s ALA 14 N -0.28 3.46 -0.28 3.13 0.00 -1.26 -0.19 121.76 126.33 1ffu s ALA 14 Ca 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 1ffu s ALA 14 Cb -0.12 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.68 1ffu s ALA 14 CO 0.02 -0.40 0.09 -0.65 0.00 0.00 0.00 175.76 174.82 1ffu s GLN 15 N -1.12 0.58 -0.38 0.00 -1.52 0.77 -4.91 119.66 113.09 1ffu s GLN 15 Ca 0.49 -0.83 -0.20 0.00 -1.95 0.00 0.00 55.36 52.87 1ffu s GLN 15 Cb -0.35 -1.82 0.01 0.00 -0.22 0.00 0.00 33.01 30.62 1ffu s GLN 15 CO 0.43 -0.93 0.63 -2.00 -0.25 0.00 0.00 175.29 173.18 1ffu s GLU 16 N 1.77 3.57 0.09 2.91 2.12 -1.26 -1.39 118.70 126.52 1ffu s GLU 16 Ca 0.08 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.35 1ffu s GLU 16 Cb -0.17 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 1ffu s GLU 16 CO -0.25 -0.81 -0.05 0.15 -0.54 0.00 0.00 175.26 173.77 1ffu s LYS 17 N 2.73 0.79 -0.30 4.30 -0.14 -0.00 -4.96 119.74 122.15 1ffu s LYS 17 Ca 0.24 -1.32 -0.09 0.00 -1.36 0.00 0.00 55.97 53.44 1ffu s LYS 17 Cb -0.14 -0.10 -0.01 0.00 -1.68 0.00 0.00 37.83 35.90 1ffu s LYS 17 CO 0.16 -0.05 0.14 0.00 -0.76 0.00 0.00 175.35 174.83 1ffu s ALA 18 N -3.71 3.25 0.09 5.17 0.00 -1.26 -0.22 121.76 125.07 1ffu s ALA 18 Ca 0.11 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 50.80 1ffu s ALA 18 Cb 0.06 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 1ffu s ALA 18 CO -0.06 -0.84 -0.20 0.14 0.00 0.00 0.00 175.76 174.80 1ffu s VAL 19 N 1.61 1.65 0.23 0.00 -7.23 -0.70 -4.93 120.40 111.02 1ffu s VAL 19 Ca 0.05 -1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 1ffu s VAL 19 Cb -0.17 -1.49 -0.09 0.00 0.56 0.00 0.00 36.38 35.20 1ffu s VAL 19 CO 0.06 -0.02 0.98 -1.61 -0.31 0.00 0.00 175.10 174.20 1ffu s GLU 20 N -1.75 4.78 0.41 4.82 0.41 -1.26 -1.58 118.70 124.53 1ffu s GLU 20 Ca 0.06 1.56 0.15 0.00 -0.41 0.00 0.00 54.97 56.33 1ffu s GLU 20 Cb -0.10 -3.28 1.02 0.00 -1.78 0.00 0.00 34.13 30.00 1ffu s GLU 20 CO 0.04 0.39 1.88 -1.35 -0.49 0.00 0.00 175.26 175.72 1ffu h PRO 21 N 4.35 0.45 0.00 0.39 0.11 -1.97 -1.64 132.00 133.69 1ffu h PRO 21 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ffu h PRO 21 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ffu h PRO 21 CO 0.69 0.30 0.00 2.89 -0.21 0.00 0.00 178.00 181.66 1ffu n ARG 22 N -4.51 0.04 -1.86 1.05 1.85 -1.26 -4.73 116.66 107.23 1ffu n ARG 22 Ca 0.17 0.16 -0.42 0.00 -1.00 0.00 0.00 57.85 56.76 1ffu n ARG 22 Cb 0.60 -1.56 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 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 -3.04 3.34 0.34 8.89 2.01 -0.62 -4.96 115.64 121.61 1ffu s THR 23 Ca 0.10 0.41 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 1ffu s THR 23 Cb 0.14 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 1ffu s THR 23 CO 0.42 -0.06 1.22 -0.76 -0.69 0.00 0.00 174.62 174.74 1ffu s LEU 24 N 4.67 4.38 0.35 4.42 1.02 -1.26 -1.99 118.68 130.26 1ffu s LEU 24 Ca 0.81 2.49 0.10 0.00 0.02 0.00 0.00 54.13 57.55 1ffu s LEU 24 Cb -0.36 -3.77 0.85 0.00 0.02 0.00 0.00 46.19 42.94 1ffu s LEU 24 CO 0.34 -0.50 1.82 0.25 0.02 0.00 0.00 176.35 178.29 1ffu h LEU 25 N 3.23 0.65 -1.10 1.79 5.85 -0.70 -0.71 115.31 124.32 1ffu h LEU 25 Ca -0.48 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1ffu h LEU 25 Cb 1.23 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1ffu h LEU 25 CO 0.65 0.27 0.53 -0.29 -0.34 0.00 0.00 178.44 179.25 1ffu h ILE 26 N 0.66 1.23 -0.02 4.05 6.09 -1.30 0.07 117.51 128.29 1ffu h ILE 26 Ca 0.51 -0.47 -0.18 0.00 -1.37 0.00 0.00 64.86 63.35 1ffu h ILE 26 Cb 0.92 0.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.22 1ffu h ILE 26 CO -0.27 0.23 -0.80 0.45 -3.07 0.00 0.00 178.15 174.69 1ffu h HIS 27 N 1.16 0.32 -0.23 2.19 3.86 -1.45 -1.84 115.15 119.16 1ffu h HIS 27 Ca 0.31 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1ffu h HIS 27 Cb -0.08 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1ffu h HIS 27 CO 0.00 0.93 0.05 0.35 0.86 0.00 0.00 177.93 180.12 1ffu h PHE 28 N 0.14 0.40 -0.61 2.45 3.57 -0.92 0.54 116.94 122.49 1ffu h PHE 28 Ca -0.03 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 1ffu h PHE 28 Cb 1.40 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 1ffu h PHE 28 CO 0.03 0.49 0.27 -0.07 -2.23 0.00 0.00 178.31 176.80 1ffu h LEU 29 N 0.19 0.82 0.19 0.59 3.38 -0.95 -1.11 115.31 118.43 1ffu h LEU 29 Ca 0.07 -0.15 -0.28 0.00 0.09 0.00 0.00 57.88 57.62 1ffu h LEU 29 Cb 0.30 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ffu h LEU 29 CO 0.00 0.74 -1.26 0.03 0.09 0.00 0.00 178.44 178.04 1ffu h ARG 30 N 0.85 0.39 0.14 1.13 3.08 -1.23 0.39 114.38 119.13 1ffu h ARG 30 Ca 0.21 -0.67 -0.35 0.00 0.07 0.00 0.00 59.98 59.23 1ffu h ARG 30 Cb 0.16 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1ffu h ARG 30 CO -0.02 1.32 -1.89 0.93 -1.07 0.00 0.00 179.97 179.24 1ffu h GLU 31 N -0.11 0.29 0.06 0.04 4.39 0.01 -3.05 114.58 116.21 1ffu h GLU 31 Ca -0.23 -0.50 -0.20 0.00 0.34 0.00 0.00 59.36 58.77 1ffu h GLU 31 Cb 1.91 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 30.74 1ffu h GLU 31 CO 0.19 1.21 -1.04 1.49 -1.16 0.00 0.00 179.01 179.69 1ffu h GLU 32 N 0.08 0.13 -0.00 2.33 4.57 -1.26 -3.38 114.58 117.04 1ffu h GLU 32 Ca -0.38 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 1ffu h GLU 32 Cb 2.05 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.73 1ffu h GLU 32 CO 0.12 1.11 -0.70 1.28 -1.18 0.00 0.00 179.01 179.64 1ffu n LEU 33 N -4.22 1.10 -2.05 1.64 4.77 -0.99 -4.97 117.00 112.29 1ffu n LEU 33 Ca -0.23 -0.41 -0.18 0.00 -0.03 0.00 0.00 56.01 55.16 1ffu n LEU 33 Cb 0.75 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 1ffu n LEU 33 CO 0.34 0.24 -0.23 0.59 -1.33 0.00 0.00 177.39 177.00 1ffu n ASN 34 N -1.11 -5.29 -4.43 -1.43 5.03 -0.98 -4.90 115.26 102.14 1ffu n ASN 34 Ca 0.06 0.01 -0.44 0.00 0.87 0.00 0.00 54.58 55.08 1ffu n ASN 34 Cb 0.36 -4.36 0.00 0.00 -1.02 0.00 0.00 39.78 34.76 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 -2.59 5.30 -0.38 3.41 4.77 0.13 -4.80 117.00 122.83 1ffu n LEU 35 Ca -0.22 -4.50 0.01 0.00 -0.03 0.00 0.00 56.01 51.28 1ffu n LEU 35 Cb 0.66 -1.61 0.05 0.00 -2.33 0.00 0.00 43.42 40.19 1ffu n LEU 35 CO 0.25 0.79 0.46 0.35 -1.33 0.00 0.00 177.39 177.91 1ffu n THR 36 N 4.45 0.23 -0.02 -5.08 -2.24 -1.26 -3.79 114.28 106.57 1ffu n THR 36 Ca 0.36 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.86 1ffu n THR 36 Cb 0.42 -0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.42 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 5.42 0.08 -4.01 3.38 0.00 -1.95 -3.43 103.07 102.57 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 0.03 0.06 0.74 0.00 0.00 0.00 0.00 176.54 177.37 1ffu s ALA 38 N -4.50 3.58 0.44 3.60 0.00 -1.26 -4.67 121.76 118.96 1ffu s ALA 38 Ca -0.15 1.44 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1ffu s ALA 38 Cb 0.03 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1ffu s ALA 38 CO 0.69 -0.87 0.01 -1.01 0.00 0.00 0.00 175.76 174.58 1ffu s HIS 39 N -0.85 2.24 -0.13 0.00 3.76 -0.33 -4.96 115.29 115.02 1ffu s HIS 39 Ca 0.54 -0.80 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 1ffu s HIS 39 Cb -0.44 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 31.59 1ffu s HIS 39 CO 0.55 0.33 -0.17 0.42 -0.85 0.00 0.00 174.74 175.03 1ffu s ILE 40 N -2.81 1.70 0.00 0.60 1.01 -1.26 -2.20 121.20 118.24 1ffu s ILE 40 Ca 0.24 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1ffu s ILE 40 Cb 0.07 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1ffu s ILE 40 CO 0.12 0.48 0.01 0.61 0.00 0.00 0.00 174.94 176.16 1ffu n GLY 41 N 4.39 0.96 3.82 6.18 0.00 -1.26 -5.06 105.19 114.22 1ffu n GLY 41 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.50 1.63 -0.13 0.00 0.00 -1.26 -4.69 120.64 115.70 1ffu n GLU 43 Ca -0.06 -1.16 0.05 0.00 0.00 0.00 0.00 57.16 55.99 1ffu n GLU 43 Cb 0.60 -1.00 0.12 0.00 0.00 0.00 0.00 31.44 31.16 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 -0.33 0.74 -1.60 3.84 -2.24 -1.26 -5.00 114.28 108.43 1ffu n THR 44 Ca 0.00 -0.87 -0.10 0.00 -2.27 0.00 0.00 64.05 60.81 1ffu n THR 44 Cb 0.17 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.52 -3.88 -0.11 3.42 7.64 -1.26 -4.96 113.62 114.99 1ffu n SER 45 Ca 0.10 0.16 -0.23 0.00 1.01 0.00 0.00 58.87 59.91 1ffu n SER 45 Cb 0.38 -2.55 -0.10 0.00 -1.01 0.00 0.00 64.21 60.93 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 -3.16 0.69 -0.34 1.43 8.25 -1.26 -4.68 115.22 116.15 1ffu n HIS 46 Ca -0.10 0.30 0.03 0.00 -0.26 0.00 0.00 57.72 57.69 1ffu n HIS 46 Cb 0.41 -1.04 0.18 0.00 1.12 0.00 0.00 29.99 30.67 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 -1.34 0.83 0.00 0.00 0.00 -1.20 -0.63 105.19 102.84 1ffu n GLY 48 Ca 0.15 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.64 1ffu n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu n ALA 49 N 0.72 2.31 0.78 4.61 0.00 -1.26 -2.66 120.51 125.01 1ffu n ALA 49 Ca -0.08 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.36 1ffu n ALA 49 Cb 0.31 -1.45 0.12 0.00 0.00 0.00 0.00 19.45 18.43 1ffu n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ffu n THR 51 N 1.28 0.24 -4.29 0.00 -1.04 -1.09 -2.81 114.28 106.57 1ffu n THR 51 Ca 0.14 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.95 1ffu n THR 51 Cb 0.56 -1.53 -0.10 0.00 -1.82 0.00 0.00 70.33 67.43 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 2.27 0.73 -0.28 12.58 -7.23 -0.32 -4.52 120.40 123.63 1ffu s VAL 52 Ca 0.87 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 1ffu s VAL 52 Cb -0.76 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 1ffu s VAL 52 CO 0.47 -0.29 0.21 -0.62 -0.31 0.00 0.00 175.10 174.55 1ffu s ASP 53 N -3.25 6.04 -0.14 4.85 2.15 -0.88 -1.02 116.67 124.41 1ffu s ASP 53 Ca 0.29 -0.02 0.02 0.00 0.43 0.00 0.00 52.55 53.27 1ffu s ASP 53 Cb 0.06 -2.13 0.02 0.00 -0.30 0.00 0.00 42.92 40.57 1ffu s ASP 53 CO 0.08 -0.08 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.19 1ffu s ILE 54 N 1.78 1.85 -1.45 4.11 1.01 0.71 -0.96 121.20 128.25 1ffu s ILE 54 Ca 0.08 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1ffu s ILE 54 Cb -0.16 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.65 1ffu s ILE 54 CO 0.11 0.51 0.24 0.47 0.00 0.00 0.00 174.94 176.27 1ffu n ASP 55 N 4.35 -0.33 0.00 3.58 8.00 0.13 -1.19 116.55 131.10 1ffu n ASP 55 Ca -0.19 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.12 1ffu n ASP 55 Cb 0.51 -2.12 0.00 0.00 -0.02 0.00 0.00 41.12 39.49 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 -2.31 0.85 3.19 0.44 0.00 -1.26 -5.03 105.19 101.06 1ffu n GLY 56 Ca -0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.03 0.87 -0.11 1.61 0.52 -0.33 -5.10 118.95 116.37 1ffu s ARG 57 Ca 0.00 -1.09 -0.30 0.00 -0.52 0.00 0.00 55.73 53.82 1ffu s ARG 57 Cb 0.00 -0.71 -0.01 0.00 0.52 0.00 0.00 34.95 34.75 1ffu s ARG 57 CO 0.00 0.13 1.03 -1.12 0.02 0.00 0.00 175.30 175.37 1ffu s SER 58 N -2.19 7.21 -0.00 0.23 0.01 -1.26 -0.21 113.70 117.49 1ffu s SER 58 Ca 0.03 1.55 0.01 0.00 1.31 0.00 0.00 55.95 58.85 1ffu s SER 58 Cb -0.06 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.61 1ffu s SER 58 CO 0.02 -0.49 -0.05 -0.69 0.41 0.00 0.00 173.24 172.44 1ffu s VAL 59 N 2.16 0.36 -0.63 3.43 1.01 -0.19 -4.94 120.40 121.59 1ffu s VAL 59 Ca 0.49 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 1ffu s VAL 59 Cb -0.19 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 35.93 1ffu s VAL 59 CO 0.17 0.10 1.12 -0.54 0.00 0.00 0.00 175.10 175.96 1ffu s LYS 60 N -0.10 3.31 0.00 2.72 1.02 -1.26 -1.17 119.74 124.26 1ffu s LYS 60 Ca 0.02 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1ffu s LYS 60 Cb -0.02 -4.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.19 1ffu s LYS 60 CO -0.00 -1.80 0.84 -1.13 -0.92 0.00 0.00 175.35 172.34 1ffu n SER 61 N 8.38 0.00 -0.06 2.83 3.41 -1.13 -1.08 113.62 125.98 1ffu n SER 61 Ca 0.03 0.35 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1ffu n SER 61 Cb 0.48 -0.35 0.40 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.27 2.05 -3.76 0.00 -1.04 -0.24 -4.90 114.28 105.11 1ffu n THR 63 Ca 0.08 -3.55 -0.13 0.00 -2.04 0.00 0.00 64.05 58.41 1ffu n THR 63 Cb 0.33 -0.35 -0.10 0.00 -1.82 0.00 0.00 70.33 68.39 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 -3.31 -0.29 -0.03 -1.42 5.04 -1.25 -4.96 115.29 109.07 1ffu s HIS 64 Ca 0.43 0.63 -0.10 0.00 -1.54 0.00 0.00 55.06 54.47 1ffu s HIS 64 Cb 0.38 0.11 -0.05 0.00 0.04 0.00 0.00 32.58 33.07 1ffu s HIS 64 CO -0.01 -0.26 0.30 -0.51 -2.34 0.00 0.00 174.74 171.91 1ffu s LEU 65 N -0.45 4.42 0.26 8.88 1.43 -1.26 -0.79 118.68 131.16 1ffu s LEU 65 Ca -0.06 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.73 1ffu s LEU 65 Cb -0.04 -2.48 0.38 0.00 0.03 0.00 0.00 46.19 44.08 1ffu s LEU 65 CO 0.02 0.32 1.88 0.00 0.23 0.00 0.00 176.35 178.80 1ffu h ALA 66 N 4.56 1.33 -0.14 4.21 0.00 -1.64 -1.18 119.26 126.40 1ffu h ALA 66 Ca -0.52 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1ffu h ALA 66 Cb 1.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ffu h ALA 66 CO 0.62 0.42 0.13 -0.24 0.00 0.00 0.00 179.25 180.17 1ffu h VAL 67 N 1.14 0.61 0.00 0.00 3.04 -1.85 0.97 116.25 120.16 1ffu h VAL 67 Ca 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.10 1ffu h VAL 67 Cb 0.15 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1ffu h VAL 67 CO -0.17 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.39 1ffu n GLN 68 N -4.00 0.17 -0.27 4.17 6.02 -0.45 -3.05 117.38 119.96 1ffu n GLN 68 Ca 0.00 0.27 0.05 0.00 -0.01 0.00 0.00 57.00 57.32 1ffu n GLN 68 Cb 0.25 -1.75 0.18 0.00 1.02 0.00 0.00 30.24 29.93 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 -0.81 6.16 0.00 0.00 2.15 -1.17 -0.60 116.67 122.40 1ffu s ASP 70 Ca 0.26 2.32 0.00 0.00 0.43 0.00 0.00 52.55 55.56 1ffu s ASP 70 Cb 0.16 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1ffu s ASP 70 CO 0.14 -1.33 0.00 0.61 -0.17 0.00 0.00 175.17 174.42 1ffu n GLY 71 N 4.89 0.61 3.94 2.66 0.00 0.14 -4.94 105.19 112.49 1ffu n GLY 71 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.15 5.81 -0.33 1.61 0.01 0.24 -4.93 113.70 113.96 1ffu s SER 72 Ca 0.00 0.47 -0.05 0.00 1.31 0.00 0.00 55.95 57.68 1ffu s SER 72 Cb 0.00 -1.66 0.04 0.00 0.21 0.00 0.00 66.02 64.61 1ffu s SER 72 CO 0.00 -0.79 0.07 -0.70 0.41 0.00 0.00 173.24 172.24 1ffu s GLU 73 N -4.69 2.59 -0.07 12.44 2.56 -1.26 -1.65 118.70 128.62 1ffu s GLU 73 Ca 0.50 -1.19 0.04 0.00 0.00 0.00 0.00 54.97 54.31 1ffu s GLU 73 Cb -0.10 -3.38 -0.02 0.00 2.00 0.00 0.00 34.13 32.63 1ffu s GLU 73 CO 0.41 -0.64 -0.17 0.08 -0.56 0.00 0.00 175.26 174.38 1ffu s VAL 74 N 1.37 2.80 -0.05 3.70 1.01 0.61 -0.69 120.40 129.14 1ffu s VAL 74 Ca -0.02 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1ffu s VAL 74 Cb -0.19 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1ffu s VAL 74 CO 0.02 0.57 -0.18 -0.22 0.00 0.00 0.00 175.10 175.29 1ffu s LEU 75 N -0.38 1.90 0.49 3.92 0.20 -0.13 -0.56 118.68 124.12 1ffu s LEU 75 Ca 0.04 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 54.50 1ffu s LEU 75 Cb -0.12 -1.02 -0.02 0.00 -0.43 0.00 0.00 46.19 44.59 1ffu s LEU 75 CO 0.02 0.14 0.01 0.42 -0.29 0.00 0.00 176.35 176.65 1ffu s THR 76 N 0.16 1.29 0.44 3.68 -4.23 -1.26 -2.08 115.64 113.63 1ffu s THR 76 Ca -0.07 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.56 1ffu s THR 76 Cb -0.13 -2.30 0.20 0.00 1.34 0.00 0.00 72.50 71.61 1ffu s THR 76 CO 0.03 0.00 2.01 1.62 -0.54 0.00 0.00 174.62 177.74 1ffu h VAL 77 N 1.43 1.12 0.00 2.29 3.04 -1.92 -1.18 116.25 121.02 1ffu h VAL 77 Ca -0.44 -0.51 -0.01 0.00 -1.01 0.00 0.00 66.70 64.74 1ffu h VAL 77 Cb 1.30 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1ffu h VAL 77 CO 0.75 0.16 -0.03 -0.33 -1.01 0.00 0.00 177.57 177.11 1ffu h GLU 78 N 0.13 0.00 -0.37 4.17 3.07 -1.98 -2.19 114.58 117.40 1ffu h GLU 78 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1ffu h GLU 78 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1ffu h GLU 78 CO 0.01 0.03 0.00 0.41 -1.40 0.00 0.00 179.01 178.06 1ffu n GLY 79 N -0.90 1.70 0.06 -3.84 0.00 -0.45 -4.55 105.19 97.21 1ffu n GLY 79 Ca -0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 4.53 -0.00-10.00 0.99 3.38 -1.38 -3.45 115.31 109.38 1ffu h LEU 80 Ca 0.00 -0.55 -0.55 0.00 0.09 0.00 0.00 57.88 56.86 1ffu h LEU 80 Cb 1.00 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.88 1ffu h LEU 80 CO 0.00 0.55 0.60 0.00 0.09 0.00 0.00 178.44 179.68 1ffu n ALA 81 N -2.38 1.61 -3.77 1.53 0.00 -1.26 -4.41 120.51 111.83 1ffu n ALA 81 Ca -0.09 0.16 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 1ffu n ALA 81 Cb 0.28 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.25 1ffu n ALA 81 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ffu s ASN 82 N -0.80 4.88 -1.51 0.00 3.84 0.28 -4.64 114.94 117.00 1ffu s ASN 82 Ca 0.69 -1.53 -0.04 0.00 0.21 0.00 0.00 52.86 52.19 1ffu s ASN 82 Cb -0.43 -1.70 0.01 0.00 -0.55 0.00 0.00 41.25 38.58 1ffu s ASN 82 CO 0.51 -0.32 0.40 1.17 -2.79 0.00 0.00 177.10 176.08 1ffu n LYS 83 N 4.55 -3.71 0.00 0.43 4.81 -1.26 -1.14 118.16 121.84 1ffu n LYS 83 Ca -0.09 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1ffu n LYS 83 Cb 0.43 -5.60 0.00 0.00 0.02 0.00 0.00 35.03 29.88 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 -1.29 3.17 3.66 3.14 0.00 -1.26 -5.03 105.19 107.59 1ffu n GLY 84 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.34 4.55 0.58 1.61 1.01 -0.29 -5.00 120.40 120.52 1ffu s VAL 85 Ca 0.00 1.87 -0.20 0.00 0.00 0.00 0.00 61.98 63.65 1ffu s VAL 85 Cb 0.00 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1ffu s VAL 85 CO 0.00 -0.17 1.20 0.18 0.00 0.00 0.00 175.10 176.31 1ffu n LEU 86 N 6.43 4.91 -4.83 3.92 4.77 -1.26 -0.55 117.00 130.38 1ffu n LEU 86 Ca 0.13 0.89 -0.32 0.00 -0.03 0.00 0.00 56.01 56.68 1ffu n LEU 86 Cb 0.46 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 1ffu n LEU 86 CO 0.53 -1.12 0.69 -2.28 -1.33 0.00 0.00 177.39 173.88 1ffu s HIS 87 N -1.38 3.31 0.29 -1.77 5.65 -1.26 -4.81 115.29 115.33 1ffu s HIS 87 Ca 0.75 1.49 0.01 0.00 0.25 0.00 0.00 55.06 57.56 1ffu s HIS 87 Cb -0.42 -2.86 0.71 0.00 -1.18 0.00 0.00 32.58 28.83 1ffu s HIS 87 CO 0.47 -0.54 1.61 0.00 -0.65 0.00 0.00 174.74 175.63 1ffu h ALA 88 N 0.91 1.19 -0.64 1.58 0.00 -1.94 0.11 119.26 120.47 1ffu h ALA 88 Ca -0.47 0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1ffu h ALA 88 Cb 1.19 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1ffu h ALA 88 CO 0.60 -0.52 0.05 -0.39 0.00 0.00 0.00 179.25 178.99 1ffu h VAL 89 N 0.10 1.27 -0.61 0.00 -1.51 -1.92 0.77 116.25 114.35 1ffu h VAL 89 Ca 0.56 -1.11 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 1ffu h VAL 89 Cb 1.15 0.72 -0.03 0.00 -2.13 0.00 0.00 31.29 31.00 1ffu h VAL 89 CO -0.77 0.41 0.25 1.56 -1.23 0.00 0.00 177.57 177.80 1ffu h GLN 90 N 1.01 0.91 -0.57 5.19 4.20 -1.20 -1.94 115.11 122.71 1ffu h GLN 90 Ca 0.19 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1ffu h GLN 90 Cb 0.51 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1ffu h GLN 90 CO 0.02 0.76 0.10 1.49 -0.67 0.00 0.00 178.83 180.54 1ffu h GLU 91 N 0.85 0.93 -0.59 1.46 4.81 -0.88 -2.71 114.58 118.46 1ffu h GLU 91 Ca 0.20 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1ffu h GLU 91 Cb 0.19 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1ffu h GLU 91 CO -0.02 0.89 0.39 0.78 -0.73 0.00 0.00 179.01 180.32 1ffu h GLY 92 N 0.83 0.83 1.67 1.92 0.00 -0.47 -0.29 103.07 107.56 1ffu h GLY 92 Ca 0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1ffu h GLY 92 CO 0.01 0.29 -0.23 0.74 0.00 0.00 0.00 176.54 177.35 1ffu h PHE 93 N 0.78 0.43 0.36 5.60 -1.00 -1.28 -1.13 116.94 120.69 1ffu h PHE 93 Ca 0.22 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 1ffu h PHE 93 Cb -0.07 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.39 1ffu h PHE 93 CO -0.04 0.60 -0.17 -0.92 -1.61 0.00 0.00 178.31 176.17 1ffu h TYR 94 N 0.35 -0.45 -0.83 -0.55 3.20 -1.13 0.31 116.97 117.88 1ffu h TYR 94 Ca 0.06 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1ffu h TYR 94 Cb 0.60 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 1ffu h TYR 94 CO 0.02 -0.12 0.54 0.87 -1.64 0.00 0.00 178.16 177.83 1ffu h LYS 95 N -0.94 1.04 -0.66 1.82 1.79 -1.06 -2.86 116.57 115.70 1ffu h LYS 95 Ca -0.05 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1ffu h LYS 95 Cb 0.53 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1ffu h LYS 95 CO 0.08 0.69 0.00 0.39 -1.08 0.00 0.00 179.45 179.53 1ffu n GLU 96 N -4.55 3.59 -3.97 3.15 -0.58 -0.43 -4.95 120.64 112.91 1ffu n GLU 96 Ca 0.09 -2.29 -0.33 0.00 -0.42 0.00 0.00 57.16 54.21 1ffu n GLU 96 Cb 0.06 -1.94 -0.01 0.00 -0.57 0.00 0.00 31.44 28.98 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 0.61 -1.60 0.15 -0.32 -0.00 -1.00 -4.76 115.22 108.31 1ffu n HIS 97 Ca 0.20 0.50 0.04 0.00 -0.00 0.00 0.00 57.72 58.46 1ffu n HIS 97 Cb 0.86 -3.30 0.21 0.00 -0.00 0.00 0.00 29.99 27.75 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 -2.02 1.97 3.37 1.57 0.00 0.11 -4.78 105.19 105.40 1ffu n GLY 98 Ca -0.21 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.38 0.19 0.00 0.99 2.34 -1.26 -4.69 118.68 114.87 1ffu s LEU 99 Ca 0.29 0.49 0.00 0.00 0.06 0.00 0.00 54.13 54.97 1ffu s LEU 99 Cb 0.21 1.79 0.00 0.00 -0.56 0.00 0.00 46.19 47.62 1ffu s LEU 99 CO 0.11 -0.44 0.00 0.00 -1.06 0.00 0.00 176.35 174.96 1ffu n GLN 100 N 1.48 0.00 0.27 1.48 6.02 -1.26 -4.83 117.38 120.54 1ffu n GLN 100 Ca -0.19 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 56.97 1ffu n GLN 100 Cb 0.56 0.00 0.63 0.00 1.02 0.00 0.00 30.24 32.46 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 0.14 0.36 0.23 0.00 0.00 -1.26 -4.93 105.19 99.73 1ffu n GLY 102 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 0.99 0.00 1.61 3.57 -1.99 -3.20 116.94 117.93 1ffu h PHE 103 Ca 0.00 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1ffu h PHE 103 Cb 0.31 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1ffu h PHE 103 CO 0.19 1.21 -0.48 0.00 -2.23 0.00 0.00 178.31 177.01 1ffu h THR 105 N 0.00 0.69 -0.76 0.00 2.02 -1.93 -0.91 112.91 112.01 1ffu h THR 105 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1ffu h THR 105 Cb 0.51 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 1ffu h THR 105 CO 0.00 0.00 0.44 -0.65 0.37 0.00 0.00 175.52 175.68 1ffu h PRO 106 N -0.01 0.77 -0.55 6.66 0.11 -1.79 0.12 132.00 137.31 1ffu h PRO 106 Ca 0.14 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 1ffu h PRO 106 Cb 0.23 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1ffu h PRO 106 CO -0.31 0.51 -0.06 0.78 -0.21 0.00 0.00 178.00 178.71 1ffu h GLY 107 N 0.79 1.09 0.95 -0.55 0.00 -1.64 -1.54 103.07 102.17 1ffu h GLY 107 Ca 0.35 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1ffu h GLY 107 CO -0.20 0.78 0.18 -0.33 0.00 0.00 0.00 176.54 176.97 1ffu h MET 108 N 0.89 0.51 -0.52 4.80 2.86 -0.47 -1.21 114.93 121.79 1ffu h MET 108 Ca 0.15 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1ffu h MET 108 Cb 0.61 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1ffu h MET 108 CO 0.04 0.45 0.25 -0.07 1.06 0.00 0.00 176.91 178.64 1ffu h LEU 109 N 0.45 0.68 -1.11 1.22 3.38 -0.67 0.89 115.31 120.15 1ffu h LEU 109 Ca 0.12 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1ffu h LEU 109 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ffu h LEU 109 CO -0.02 0.62 -0.17 0.24 0.09 0.00 0.00 178.44 179.20 1ffu h MET 110 N 0.69 0.42 0.10 1.13 2.86 -1.13 0.72 114.93 119.71 1ffu h MET 110 Ca 0.18 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1ffu h MET 110 Cb 0.12 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1ffu h MET 110 CO -0.02 0.58 -0.05 -0.09 1.06 0.00 0.00 176.91 178.40 1ffu h ARG 111 N 0.38 -0.12 -0.73 1.72 9.65 -0.87 -3.07 114.38 121.35 1ffu h ARG 111 Ca 0.07 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.03 1ffu h ARG 111 Cb 0.53 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.09 1ffu h ARG 111 CO 0.03 0.37 0.48 0.00 2.80 0.00 0.00 179.97 183.65 1ffu h ALA 112 N 0.06 1.75 -0.75 2.80 0.00 -0.69 0.29 119.26 122.71 1ffu h ALA 112 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ffu h ALA 112 Cb 0.55 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1ffu h ALA 112 CO 0.02 0.12 0.49 -0.92 0.00 0.00 0.00 179.25 178.96 1ffu h TYR 113 N 0.71 0.96 0.11 0.00 3.20 -0.88 -1.22 116.97 119.85 1ffu h TYR 113 Ca 0.32 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.95 1ffu h TYR 113 Cb 0.34 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1ffu h TYR 113 CO -0.00 0.61 -1.34 -0.09 -1.64 0.00 0.00 178.16 175.70 1ffu h ARG 114 N 1.03 0.23 -1.00 1.82 9.65 -1.03 -3.35 114.38 121.72 1ffu h ARG 114 Ca 0.27 -0.39 0.10 0.00 -1.10 0.00 0.00 59.98 58.87 1ffu h ARG 114 Cb -0.10 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 28.55 1ffu h ARG 114 CO -0.06 1.18 0.64 0.35 2.80 0.00 0.00 179.97 184.88 1ffu h PHE 115 N -0.36 1.16 0.00 2.20 3.57 -0.43 -0.47 116.94 122.61 1ffu h PHE 115 Ca -0.29 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.24 1ffu h PHE 115 Cb 1.71 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 1ffu h PHE 115 CO 0.13 0.50 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.62 1ffu h LEU 116 N 1.04 0.00 0.00 0.59 4.07 -1.38 0.23 115.31 119.86 1ffu h LEU 116 Ca 0.48 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.28 1ffu h LEU 116 Cb 0.40 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 1ffu h LEU 116 CO -0.24 0.02 -1.20 1.56 -1.08 0.00 0.00 178.44 177.51 1ffu h GLN 117 N 0.00 0.00 0.04 1.13 4.20 -1.26 -2.88 115.11 116.35 1ffu h GLN 117 Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1ffu h GLN 117 Cb 0.37 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.16 1ffu h GLN 117 CO 0.00 0.37 -1.07 0.93 -0.67 0.00 0.00 178.83 178.39 1ffu h GLU 118 N 0.00 0.52 -2.22 1.46 5.08 -0.28 -3.42 114.58 115.72 1ffu h GLU 118 Ca -0.12 -0.61 -0.39 0.00 -1.00 0.00 0.00 59.36 57.23 1ffu h GLU 118 Cb 1.56 0.19 -0.34 0.00 0.50 0.00 0.00 28.75 30.66 1ffu h GLU 118 CO 0.05 1.24 -0.69 1.21 -1.00 0.00 0.00 179.01 179.82 1ffu s ASN 119 N -7.22 1.90 0.43 1.42 3.84 0.69 -5.04 114.94 110.96 1ffu s ASN 119 Ca -0.07 -1.17 0.18 0.00 0.21 0.00 0.00 52.86 52.01 1ffu s ASN 119 Cb 0.07 0.33 0.97 0.00 -0.55 0.00 0.00 41.25 42.07 1ffu s ASN 119 CO 0.90 -0.36 1.91 -0.65 -2.79 0.00 0.00 177.10 176.11 1ffu h PRO 120 N 7.86 0.00 -2.14 0.43 0.11 -1.75 -3.34 132.00 133.17 1ffu h PRO 120 Ca -0.08 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.48 1ffu h PRO 120 Cb 1.05 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.75 1ffu h PRO 120 CO 0.31 0.27 -0.86 0.27 -0.21 0.00 0.00 178.00 177.78 1ffu n ASN 121 N -3.90 2.64 -4.82 -2.05 0.23 -1.26 -4.84 115.26 101.25 1ffu n ASN 121 Ca -0.02 -3.29 -0.33 0.00 -0.53 0.00 0.00 54.58 50.42 1ffu n ASN 121 Cb 0.35 -0.61 -0.02 0.00 -2.08 0.00 0.00 39.78 37.41 1ffu n ASN 121 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ffu s PRO 122 N -2.59 3.73 0.70 -0.53 0.04 -1.25 -5.06 135.00 130.04 1ffu s PRO 122 Ca 0.42 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 1ffu s PRO 122 Cb 0.25 -2.10 0.08 0.00 0.04 0.00 0.00 34.50 32.77 1ffu s PRO 122 CO -0.09 -0.46 1.00 0.95 0.04 0.00 0.00 177.00 178.43 1ffu s THR 123 N -2.38 2.29 0.18 1.26 -4.23 -1.26 -4.86 115.64 106.65 1ffu s THR 123 Ca 0.63 -0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.64 1ffu s THR 123 Cb -0.13 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.87 1ffu s THR 123 CO 0.29 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.10 1ffu h GLU 124 N -0.57 0.81 -0.95 3.99 4.81 -1.99 0.13 114.58 120.81 1ffu h GLU 124 Ca -0.43 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1ffu h GLU 124 Cb 1.30 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1ffu h GLU 124 CO 0.53 0.58 0.59 0.00 -0.73 0.00 0.00 179.01 179.98 1ffu h ALA 125 N 1.18 1.21 -0.16 2.92 0.00 -1.99 -0.33 119.26 122.10 1ffu h ALA 125 Ca 0.21 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ffu h ALA 125 Cb -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1ffu h ALA 125 CO -0.04 0.65 -0.39 0.93 0.00 0.00 0.00 179.25 180.41 1ffu h GLU 126 N 1.31 0.34 0.21 0.00 5.08 -1.76 -1.46 114.58 118.30 1ffu h GLU 126 Ca 0.34 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1ffu h GLU 126 Cb -0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ffu h GLU 126 CO -0.07 0.68 -0.10 0.82 -1.00 0.00 0.00 179.01 179.34 1ffu h ILE 127 N 0.29 0.86 -0.81 3.13 2.04 -0.19 0.26 117.51 123.09 1ffu h ILE 127 Ca 0.03 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.24 1ffu h ILE 127 Cb 0.82 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 1ffu h ILE 127 CO 0.07 0.16 0.46 0.03 0.00 0.00 0.00 178.15 178.86 1ffu h ARG 128 N -0.68 0.76 -0.24 2.37 3.08 -1.03 0.35 114.38 118.98 1ffu h ARG 128 Ca -0.03 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 1ffu h ARG 128 Cb 0.48 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ffu h ARG 128 CO 0.05 0.50 -0.52 1.98 -1.07 0.00 0.00 179.97 180.91 1ffu h MET 129 N 0.78 0.78 0.00 0.04 4.05 -1.26 -2.92 114.93 116.40 1ffu h MET 129 Ca 0.39 -0.51 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1ffu h MET 129 Cb 0.34 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1ffu h MET 129 CO -0.24 1.14 0.00 0.41 0.23 0.00 0.00 176.91 178.45 1ffu n GLY 130 N 0.43 -1.08 0.56 1.39 0.00 0.93 -2.17 105.19 105.24 1ffu n GLY 130 Ca -0.05 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1ffu n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ffu n MET 131 N -1.90 2.78 0.31 1.61 2.81 -0.00 -4.74 117.12 117.98 1ffu n MET 131 Ca 0.02 -2.21 0.17 0.00 -1.81 0.00 0.00 57.70 53.87 1ffu n MET 131 Cb 0.17 -1.40 1.00 0.00 -0.71 0.00 0.00 33.22 32.28 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 1.47 0.38 0.00 2.03 1.35 -1.25 -2.22 112.91 114.66 1ffu h THR 132 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1ffu h THR 132 Cb 0.90 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1ffu h THR 132 CO 0.06 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1ffu n GLY 133 N -1.21 -1.08 3.24 5.82 0.00 -1.26 -4.74 105.19 105.96 1ffu n GLY 133 Ca -0.03 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.20 3.63 0.06 1.61 0.01 -0.84 -3.27 114.94 113.94 1ffu s ASN 134 Ca 0.40 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 52.04 1ffu s ASN 134 Cb 0.21 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 40.26 1ffu s ASN 134 CO 0.39 0.06 0.24 -0.76 -1.51 0.00 0.00 177.10 175.52 1ffu s LEU 135 N 0.98 4.35 -0.02 0.60 1.43 0.20 -5.01 118.68 121.21 1ffu s LEU 135 Ca -0.02 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1ffu s LEU 135 Cb -0.15 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.14 1ffu s LEU 135 CO -0.03 0.17 -0.03 0.00 0.23 0.00 0.00 176.35 176.70 1ffu n ARG 137 N 3.46 0.18 -0.06 0.00 5.12 -1.26 -4.71 116.66 119.39 1ffu n ARG 137 Ca -0.19 -0.04 -0.08 0.00 -1.93 0.00 0.00 57.85 55.62 1ffu n ARG 137 Cb 0.55 -1.52 -0.06 0.00 -1.16 0.00 0.00 32.46 30.27 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 0.00 0.70 -0.05 0.00 1.35 -1.93 -3.47 112.91 109.50 1ffu h THR 139 Ca -0.27 -2.03 -0.02 0.00 -0.55 0.00 0.00 66.41 63.55 1ffu h THR 139 Cb 1.45 2.30 -0.01 0.00 -1.73 0.00 0.00 68.15 70.16 1ffu h THR 139 CO -0.03 0.40 -0.02 0.61 -0.25 0.00 0.00 175.52 176.23 1ffu n GLY 140 N 1.23 0.46 4.70 5.82 0.00 -1.26 -4.13 105.19 112.01 1ffu n GLY 140 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.80 0.00 -0.24 1.61 4.01 -1.26 -4.77 117.16 113.71 1ffu n TYR 141 Ca -0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.77 1ffu n TYR 141 Cb 0.12 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.30 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 0.00 0.12 0.00 -0.72 4.15 -2.01 0.65 115.11 117.29 1ffu h GLN 142 Ca 0.00 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 1ffu h GLN 142 Cb 0.00 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1ffu h GLN 142 CO 0.00 0.08 -0.61 -0.91 -1.93 0.00 0.00 178.83 175.46 1ffu h ASN 143 N 0.12 0.00 -0.58 -0.69 2.35 -1.86 -2.89 115.58 112.04 1ffu h ASN 143 Ca 0.39 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.10 1ffu h ASN 143 Cb 0.68 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 1ffu h ASN 143 CO -0.62 0.61 0.20 0.40 -1.65 0.00 0.00 177.43 176.38 1ffu h ILE 144 N 0.00 1.23 -0.28 2.81 2.04 -1.21 0.85 117.51 122.95 1ffu h ILE 144 Ca -0.01 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1ffu h ILE 144 Cb 1.13 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1ffu h ILE 144 CO 0.08 0.30 0.15 0.58 0.00 0.00 0.00 178.15 179.26 1ffu h VAL 145 N 0.90 1.13 -0.11 1.67 2.07 -0.98 -0.95 116.25 119.99 1ffu h VAL 145 Ca 0.20 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1ffu h VAL 145 Cb 0.25 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1ffu h VAL 145 CO -0.01 0.13 -0.15 0.11 0.02 0.00 0.00 177.57 177.67 1ffu h LYS 146 N 0.33 0.17 -0.37 1.57 1.57 -1.22 -0.81 116.57 117.82 1ffu h LYS 146 Ca 0.10 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1ffu h LYS 146 Cb 0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1ffu h LYS 146 CO -0.01 0.33 -0.19 0.00 -0.57 0.00 0.00 179.45 179.00 1ffu h ALA 147 N 1.69 0.52 -0.49 3.86 0.00 -0.20 -0.01 119.26 124.63 1ffu h ALA 147 Ca 0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1ffu h ALA 147 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ffu h ALA 147 CO 0.02 0.46 -0.01 0.28 0.00 0.00 0.00 179.25 180.00 1ffu h VAL 148 N 0.57 1.26 -0.72 0.00 2.07 -0.66 -0.83 116.25 117.95 1ffu h VAL 148 Ca 0.08 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1ffu h VAL 148 Cb 0.74 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1ffu h VAL 148 CO 0.06 0.38 0.32 1.56 0.02 0.00 0.00 177.57 179.91 1ffu h GLN 149 N 0.74 1.05 -0.51 1.57 4.20 -1.05 -0.35 115.11 120.76 1ffu h GLN 149 Ca 0.14 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1ffu h GLN 149 Cb 0.54 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1ffu h GLN 149 CO 0.03 0.85 0.28 -0.92 -0.67 0.00 0.00 178.83 178.40 1ffu h TYR 150 N 1.02 0.70 -0.39 2.96 5.03 -0.73 -1.85 116.97 123.70 1ffu h TYR 150 Ca 0.24 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.45 1ffu h TYR 150 Cb 0.16 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 1ffu h TYR 150 CO 0.01 0.52 -0.11 0.00 -1.32 0.00 0.00 178.16 177.26 1ffu h ALA 151 N 1.12 1.08 -0.60 1.82 0.00 -0.76 -2.75 119.26 119.17 1ffu h ALA 151 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1ffu h ALA 151 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ffu h ALA 151 CO -0.03 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.82 1ffu h ALA 152 N 1.25 0.92 -0.28 0.00 0.00 -0.73 -1.45 119.26 118.97 1ffu h ALA 152 Ca 0.11 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1ffu h ALA 152 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ffu h ALA 152 CO 0.03 0.65 -0.19 0.00 0.00 0.00 0.00 179.25 179.75 1ffu h ARG 153 N 0.94 0.51 0.00 0.00 3.08 -1.17 -2.88 114.38 114.86 1ffu h ARG 153 Ca 0.18 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1ffu h ARG 153 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1ffu h ARG 153 CO 0.02 0.67 -0.51 -0.22 -1.07 0.00 0.00 179.97 178.87 1ffu h LYS 154 N 0.46 0.00 0.00 0.04 3.64 -1.26 -3.10 116.57 116.35 1ffu h LYS 154 Ca 0.08 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1ffu h LYS 154 Cb 0.59 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1ffu h LYS 154 CO 0.04 0.51 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.37 1ffu h LEU 155 N 0.00 0.00 -3.12 5.20 3.38 -1.06 -2.88 115.31 116.82 1ffu h LEU 155 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ffu h LEU 155 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1ffu h LEU 155 CO 0.07 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1ffu n GLN 156 N -3.33 3.53 0.00 1.13 6.02 -1.12 -5.11 117.38 118.49 1ffu n GLN 156 Ca 0.01 -2.77 0.14 0.00 -0.01 0.00 0.00 57.00 54.37 1ffu n GLN 156 Cb 0.52 -1.80 0.57 0.00 1.02 0.00 0.00 30.24 30.55 1ffu n GLN 156 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14