#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n HIS 3 N 0.00 0.00 0.00 2.89 8.25 -1.26 -4.89 115.22 120.21 3f1h n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3f1h n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3f1h n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3f1h n LEU 4 N 0.00 0.00 0.13 2.41 -0.00 -1.26 -4.73 117.00 113.55 3f1h n LEU 4 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 56.17 3f1h n LEU 4 Cb 0.00 0.00 0.49 0.00 -0.00 0.00 0.00 43.42 43.91 3f1h n LEU 4 CO 0.00 0.00 1.14 0.11 -0.00 0.00 0.00 177.39 178.64 3f1h h LYS 5 N 0.43 0.00 0.00 1.96 6.56 -2.01 -3.34 116.57 120.17 3f1h h LYS 5 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3f1h h LYS 5 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3f1h h LYS 5 CO 0.00 0.00 0.00 -1.13 -2.06 0.00 0.00 179.45 176.26 3f1h n SER 6 N -3.06 0.00 0.00 0.86 3.41 -1.26 -5.11 113.62 108.46 3f1h n SER 6 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3f1h n SER 6 Cb 0.91 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3f1h n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f1h n GLY 7 N 0.32 1.16 0.00 5.00 0.00 -1.26 -5.17 105.19 105.25 3f1h n GLY 7 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3f1h n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f1h n ARG 8 N -0.01 0.00 -3.75 1.61 0.63 -1.26 -5.12 116.66 108.76 3f1h n ARG 8 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 3f1h n ARG 8 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 3f1h n ARG 8 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3f1h s LYS 9 N -1.68 1.59 0.00 -0.14 -2.85 -1.26 -5.09 119.74 110.32 3f1h s LYS 9 Ca 0.00 -0.87 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 3f1h s LYS 9 Cb 0.00 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 3f1h s LYS 9 CO 0.00 -0.71 0.00 1.47 0.10 0.00 0.00 175.35 176.21 3f1h n LEU 10 N -0.42 0.00 0.00 2.77 -0.00 -1.26 -5.09 117.00 113.00 3f1h n LEU 10 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 3f1h n LEU 10 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 3f1h n LEU 10 CO 0.15 0.00 0.00 -3.20 -0.00 0.00 0.00 177.39 174.34 3f1h n ASN 11 N 0.00 0.00 -0.19 1.45 2.85 -1.26 -5.04 115.26 113.07 3f1h n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3f1h n ASN 11 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3f1h n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3f1h n ARG 12 N 0.00 0.00 -4.41 1.20 1.74 -1.26 -4.84 116.66 109.09 3f1h n ARG 12 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 3f1h n ARG 12 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 3f1h n ARG 12 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 3f1h n HIS 13 N -0.38 0.10 -0.36 -1.55 1.44 -1.26 -4.92 115.22 108.29 3f1h n HIS 13 Ca 0.00 -2.64 -0.10 0.00 -2.01 0.00 0.00 57.72 52.96 3f1h n HIS 13 Cb 0.00 0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 3f1h n HIS 13 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3f1h h SER 14 N 1.65 -2.02 0.28 4.39 4.64 -1.98 0.68 113.55 121.18 3f1h h SER 14 Ca -0.32 0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3f1h h SER 14 Cb 1.22 0.90 0.00 0.00 -0.31 0.00 0.00 62.40 64.21 3f1h h SER 14 CO 0.50 -0.27 -0.13 0.77 -0.87 0.00 0.00 176.83 176.83 3f1h h SER 15 N -0.08 -0.32 -0.90 4.97 4.64 -1.99 -2.64 113.55 117.23 3f1h h SER 15 Ca 0.16 -0.01 0.26 0.00 -0.47 0.00 0.00 61.79 61.74 3f1h h SER 15 Cb 0.47 0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.60 3f1h h SER 15 CO -0.88 0.14 0.84 -0.74 -0.87 0.00 0.00 176.83 175.33 3f1h h HIS 16 N -1.09 0.00 0.11 4.77 -0.00 -1.86 0.19 115.15 117.27 3f1h h HIS 16 Ca -0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 60.06 3f1h h HIS 16 Cb 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.71 3f1h h HIS 16 CO 0.00 0.00 -1.40 -0.09 -0.00 0.00 0.00 177.93 176.45 3f1h h ARG 17 N 0.00 0.24 -0.09 5.26 2.43 0.33 -2.30 114.38 120.25 3f1h h ARG 17 Ca 0.43 -0.41 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3f1h h ARG 17 Cb 2.10 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.78 3f1h h ARG 17 CO -0.00 1.20 -0.05 1.25 -1.51 0.00 0.00 179.97 180.85 3f1h h LEU 18 N -0.31 -0.16 -1.91 3.80 7.12 -0.67 -2.13 115.31 121.05 3f1h h LEU 18 Ca -0.30 0.04 0.07 0.00 0.13 0.00 0.00 57.88 57.81 3f1h h LEU 18 Cb 1.75 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.96 3f1h h LEU 18 CO 0.06 -0.07 0.21 0.00 -0.13 0.00 0.00 178.44 178.51 3f1h h ALA 19 N 1.03 2.15 -0.39 1.25 0.00 -0.80 0.52 119.26 123.01 3f1h h ALA 19 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3f1h h ALA 19 Cb 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3f1h h ALA 19 CO -0.12 -0.22 0.18 1.25 0.00 0.00 0.00 179.25 180.34 3f1h h LEU 20 N 0.11 0.53 -0.33 0.00 5.85 -0.79 -1.44 115.31 119.24 3f1h h LEU 20 Ca 0.14 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3f1h h LEU 20 Cb 0.42 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3f1h h LEU 20 CO -0.02 0.52 0.06 1.88 -0.34 0.00 0.00 178.44 180.55 3f1h h TYR 21 N 0.50 0.58 0.39 1.25 0.99 -0.61 -0.39 116.97 119.67 3f1h h TYR 21 Ca 0.13 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 3f1h h TYR 21 Cb 0.14 -0.16 -0.03 0.00 1.00 0.00 0.00 36.73 37.68 3f1h h TYR 21 CO -0.01 0.61 -0.51 0.00 -0.00 0.00 0.00 178.16 178.25 3f1h h ARG 22 N 0.38 -0.90 -0.91 4.88 3.08 -1.32 0.14 114.38 119.73 3f1h h ARG 22 Ca 0.10 0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.35 3f1h h ARG 22 Cb 0.34 0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 3f1h h ARG 22 CO 0.01 -0.60 0.58 -0.91 -1.07 0.00 0.00 179.97 177.98 3f1h h ASN 23 N -0.93 0.70 -0.12 7.04 4.21 -1.12 0.10 115.58 125.45 3f1h h ASN 23 Ca -0.04 0.04 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 3f1h h ASN 23 Cb 0.84 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 3f1h h ASN 23 CO -0.13 0.35 -0.23 1.56 -1.29 0.00 0.00 177.43 177.69 3f1h h GLN 24 N 0.74 0.37 -0.17 0.81 4.20 -0.72 -2.91 115.11 117.43 3f1h h GLN 24 Ca 0.46 -0.23 0.04 0.00 0.06 0.00 0.00 58.65 58.97 3f1h h GLN 24 Cb 0.69 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 3f1h h GLN 24 CO -0.22 0.83 -0.08 0.00 -0.67 0.00 0.00 178.83 178.68 3f1h h ALA 25 N 0.54 0.06 -0.44 3.87 0.00 0.18 0.29 119.26 123.76 3f1h h ALA 25 Ca 0.01 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3f1h h ALA 25 Cb 0.81 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 3f1h h ALA 25 CO 0.05 -0.52 -0.52 0.87 0.00 0.00 0.00 179.25 179.13 3f1h h LYS 26 N -0.07 -0.34 -0.33 0.00 1.57 -1.03 0.56 116.57 116.93 3f1h h LYS 26 Ca 0.09 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3f1h h LYS 26 Cb 0.21 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3f1h h LYS 26 CO -0.21 -0.23 0.08 0.77 -0.57 0.00 0.00 179.45 179.29 3f1h h SER 27 N -0.36 0.44 -0.33 0.86 0.02 -1.25 0.18 113.55 113.10 3f1h h SER 27 Ca 0.10 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3f1h h SER 27 Cb 0.59 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3f1h h SER 27 CO -0.61 0.45 0.03 0.25 -1.14 0.00 0.00 176.83 175.80 3f1h h LEU 28 N 0.47 0.55 0.00 5.07 7.12 0.63 0.27 115.31 129.43 3f1h h LEU 28 Ca 0.11 -0.28 0.00 0.00 0.13 0.00 0.00 57.88 57.84 3f1h h LEU 28 Cb 0.19 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 3f1h h LEU 28 CO -0.00 0.70 0.00 0.18 -0.13 0.00 0.00 178.44 179.19 3f1h n LEU 29 N -4.56 0.00 -0.11 2.25 4.77 0.18 0.11 117.00 119.65 3f1h n LEU 29 Ca -0.02 0.48 -0.22 0.00 -0.03 0.00 0.00 56.01 56.23 3f1h n LEU 29 Cb 0.24 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.74 3f1h n LEU 29 CO 0.39 -0.20 -0.57 0.41 -1.33 0.00 0.00 177.39 176.08 3f1h n THR 30 N -1.48 1.53 0.64 -5.08 -1.04 0.51 -4.66 114.28 104.69 3f1h n THR 30 Ca 0.04 -0.04 0.09 0.00 -2.04 0.00 0.00 64.05 62.11 3f1h n THR 30 Cb 0.19 -2.05 -0.12 0.00 -1.82 0.00 0.00 70.33 66.53 3f1h n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3f1h n HIS 31 N -4.43 0.00 0.00 -1.42 8.25 0.87 -4.99 115.22 113.51 3f1h n HIS 31 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 3f1h n HIS 31 Cb 0.67 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3f1h n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1h n GLY 32 N 1.43 1.21 3.82 -1.41 0.00 0.30 -4.86 105.19 105.69 3f1h n GLY 32 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3f1h n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1h s ARG 33 N 0.00 3.19 -0.15 1.61 3.00 -1.26 -0.04 118.95 125.30 3f1h s ARG 33 Ca 0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 55.73 55.13 3f1h s ARG 33 Cb 0.00 -2.94 0.05 0.00 0.00 0.00 0.00 34.95 32.05 3f1h s ARG 33 CO 0.00 0.66 0.49 0.42 0.00 0.00 0.00 175.30 176.87 3f1h s ILE 34 N -1.21 0.01 -0.15 1.52 -1.09 0.14 -4.89 121.20 115.54 3f1h s ILE 34 Ca 0.23 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.60 3f1h s ILE 34 Cb -0.12 -0.72 0.02 0.00 -1.58 0.00 0.00 42.46 40.06 3f1h s ILE 34 CO 0.14 -0.04 -0.17 0.42 -1.23 0.00 0.00 174.94 174.07 3f1h s THR 35 N -0.12 1.74 0.04 2.92 -4.23 -1.26 0.21 115.64 114.94 3f1h s THR 35 Ca -0.03 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 3f1h s THR 35 Cb -0.03 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.21 3f1h s THR 35 CO 0.02 0.49 0.05 0.35 -0.54 0.00 0.00 174.62 174.99 3f1h n THR 36 N 4.51 0.00 -2.25 3.99 -2.24 -1.07 -4.94 114.28 112.28 3f1h n THR 36 Ca -0.19 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 3f1h n THR 36 Cb 0.50 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 3f1h n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f1h s THR 37 N -2.41 3.02 0.26 4.28 -4.23 -1.26 -0.62 115.64 114.68 3f1h s THR 37 Ca 0.04 1.02 -0.11 0.00 -1.18 0.00 0.00 61.69 61.45 3f1h s THR 37 Cb -0.00 -3.65 0.37 0.00 1.34 0.00 0.00 72.50 70.57 3f1h s THR 37 CO 0.03 0.24 1.56 0.58 -0.54 0.00 0.00 174.62 176.49 3f1h h VAL 38 N 3.11 0.03 0.13 2.29 2.07 -1.77 -0.54 116.25 121.58 3f1h h VAL 38 Ca -0.48 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3f1h h VAL 38 Cb 1.22 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3f1h h VAL 38 CO 0.67 0.00 -0.20 -0.65 0.02 0.00 0.00 177.57 177.40 3f1h h PRO 39 N -0.01 -0.34 -0.82 1.57 0.11 -1.91 0.15 132.00 130.76 3f1h h PRO 39 Ca 0.42 0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.76 3f1h h PRO 39 Cb 0.67 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 31.73 3f1h h PRO 39 CO -0.98 -0.23 0.19 0.87 -0.21 0.00 0.00 178.00 177.64 3f1h h LYS 40 N -0.36 0.21 0.46 1.05 1.57 -1.56 0.17 116.57 118.11 3f1h h LYS 40 Ca -0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3f1h h LYS 40 Cb 0.33 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3f1h h LYS 40 CO -0.06 0.14 -0.46 0.00 -0.57 0.00 0.00 179.45 178.50 3f1h h ALA 41 N 1.72 -1.03 -0.57 3.86 0.00 -0.93 0.19 119.26 122.50 3f1h h ALA 41 Ca 0.49 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.35 3f1h h ALA 41 Cb 0.93 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 3f1h h ALA 41 CO -0.61 -1.12 0.39 0.87 0.00 0.00 0.00 179.25 178.79 3f1h h LYS 42 N -0.93 0.23 0.20 0.00 1.57 0.21 0.41 116.57 118.27 3f1h h LYS 42 Ca -0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3f1h h LYS 42 Cb 0.82 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3f1h h LYS 42 CO -0.07 0.16 -0.10 1.49 -0.57 0.00 0.00 179.45 180.36 3f1h h GLU 43 N 0.24 -0.26 -1.03 3.15 4.57 -0.72 -3.29 114.58 117.24 3f1h h GLU 43 Ca 0.27 0.02 0.30 0.00 -1.18 0.00 0.00 59.36 58.77 3f1h h GLU 43 Cb 0.74 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.35 3f1h h GLU 43 CO -0.05 0.02 0.79 1.25 -1.18 0.00 0.00 179.01 179.84 3f1h h LEU 44 N -1.00 0.00 -0.62 1.64 7.12 0.01 -2.07 115.31 120.39 3f1h h LEU 44 Ca -0.03 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.04 3f1h h LEU 44 Cb 0.41 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 40.45 3f1h h LEU 44 CO 0.05 0.00 -0.50 -0.09 -0.13 0.00 0.00 178.44 177.77 3f1h h ARG 45 N 0.00 -0.16 0.22 1.25 2.43 -1.01 -2.02 114.38 115.10 3f1h h ARG 45 Ca 0.49 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.66 3f1h h ARG 45 Cb 2.07 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.65 3f1h h ARG 45 CO -0.01 -0.11 -0.11 0.78 -1.51 0.00 0.00 179.97 179.02 3f1h h GLY 46 N -0.17 -0.31 -0.91 2.80 0.00 -1.56 -2.98 103.07 99.94 3f1h h GLY 46 Ca 0.10 0.12 0.26 0.00 0.00 0.00 0.00 47.33 47.81 3f1h h GLY 46 CO -0.68 -0.11 0.04 0.33 0.00 0.00 0.00 176.54 176.12 3f1h n PHE 47 N -5.03 0.60 0.32 5.60 7.35 -1.17 -0.47 117.46 124.67 3f1h n PHE 47 Ca -0.09 1.10 -0.16 0.00 -0.76 0.00 0.00 57.45 57.55 3f1h n PHE 47 Cb 0.26 -1.20 -0.08 0.00 0.35 0.00 0.00 39.48 38.81 3f1h n PHE 47 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3f1h h VAL 48 N 0.00 0.28 -0.68 -2.13 2.07 -1.34 -3.20 116.25 111.24 3f1h h VAL 48 Ca 0.56 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.88 3f1h h VAL 48 Cb 1.18 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.20 3f1h h VAL 48 CO -0.85 0.03 -0.57 0.44 0.02 0.00 0.00 177.57 176.64 3f1h h ASP 49 N -1.04 -1.99 -1.29 0.57 3.32 -0.61 1.34 116.42 116.73 3f1h h ASP 49 Ca -0.08 0.28 0.39 0.00 0.02 0.00 0.00 57.03 57.64 3f1h h ASP 49 Cb 0.69 0.85 -0.10 0.00 0.22 0.00 0.00 39.33 40.98 3f1h h ASP 49 CO 0.14 -0.32 0.86 -0.74 -1.72 0.00 0.00 179.24 177.45 3f1h h HIS 50 N -0.21 0.42 0.47 4.55 -0.00 -1.54 0.36 115.15 119.20 3f1h h HIS 50 Ca 0.12 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3f1h h HIS 50 Cb 0.51 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 3f1h h HIS 50 CO -0.86 -0.08 -0.22 -0.07 -0.00 0.00 0.00 177.93 176.69 3f1h h LEU 51 N 0.15 -0.53 -0.59 0.26 4.07 0.17 -1.51 115.31 117.33 3f1h h LEU 51 Ca 0.73 -0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.71 3f1h h LEU 51 Cb 2.35 0.14 -0.09 0.00 1.08 0.00 0.00 40.66 44.15 3f1h h LEU 51 CO -0.28 -0.11 -0.49 0.40 -1.08 0.00 0.00 178.44 176.88 3f1h h ILE 52 N -1.11 0.00 -0.01 1.22 1.08 0.59 0.11 117.51 119.40 3f1h h ILE 52 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3f1h h ILE 52 Cb 0.54 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 3f1h h ILE 52 CO 0.10 0.00 0.03 -0.74 -0.69 0.00 0.00 178.15 176.86 3f1h h HIS 53 N -0.19 0.00 0.10 1.37 2.76 -0.49 0.37 115.15 119.08 3f1h h HIS 53 Ca 0.10 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.00 3f1h h HIS 53 Cb 0.44 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.43 3f1h h HIS 53 CO -0.85 0.00 -1.12 1.25 -1.30 0.00 0.00 177.93 175.91 3f1h h LEU 54 N 0.00 0.81 -1.50 0.26 5.85 0.22 -3.06 115.31 117.89 3f1h h LEU 54 Ca 0.01 -0.83 -0.01 0.00 0.84 0.00 0.00 57.88 57.89 3f1h h LEU 54 Cb 0.07 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 3f1h h LEU 54 CO -0.00 1.55 -0.06 0.00 -0.34 0.00 0.00 178.44 179.59 3f1h h ALA 55 N 0.27 1.03 -0.12 1.25 0.00 0.15 -1.72 119.26 120.12 3f1h h ALA 55 Ca -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3f1h h ALA 55 Cb 1.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 3f1h h ALA 55 CO 0.22 0.07 -0.06 -0.22 0.00 0.00 0.00 179.25 179.26 3f1h h LYS 56 N 0.00 0.18 0.00 0.00 1.63 -0.36 -3.41 116.57 114.61 3f1h h LYS 56 Ca -0.00 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.67 3f1h h LYS 56 Cb 0.53 -0.03 0.04 0.00 -0.60 0.00 0.00 32.23 32.17 3f1h h LYS 56 CO 0.01 0.26 0.09 -2.13 -3.45 0.00 0.00 179.45 174.22 3f1h n ARG 57 N -4.37 -0.55 0.04 1.90 0.63 -0.65 -5.00 116.66 108.66 3f1h n ARG 57 Ca -0.01 -0.49 0.00 0.00 -0.92 0.00 0.00 57.85 56.43 3f1h n ARG 57 Cb 0.20 -0.35 0.00 0.00 0.45 0.00 0.00 32.46 32.76 3f1h n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f1h n GLY 58 N 2.45 -0.06 2.92 5.14 0.00 -1.26 -4.99 105.19 109.40 3f1h n GLY 58 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3f1h n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f1h n ASP 59 N -3.20 -0.79 0.31 1.61 3.85 -1.26 -4.47 116.55 112.60 3f1h n ASP 59 Ca 0.00 0.97 0.18 0.00 -0.71 0.00 0.00 54.79 55.23 3f1h n ASP 59 Cb 0.18 -0.80 0.93 0.00 -1.35 0.00 0.00 41.12 40.07 3f1h n ASP 59 CO 0.00 0.00 0.00 0.17 -1.01 0.00 0.00 177.20 176.36 3f1h h LEU 60 N 1.29 0.00 0.00 -2.12 -0.00 -1.98 0.64 115.31 113.14 3f1h h LEU 60 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 3f1h h LEU 60 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 3f1h h LEU 60 CO 0.50 0.00 0.00 1.57 -0.00 0.00 0.00 178.44 180.51 3f1h n HIS 61 N -3.08 0.00 0.16 0.17 -0.00 -1.26 0.11 115.22 111.32 3f1h n HIS 61 Ca -0.01 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.35 3f1h n HIS 61 Cb 0.30 -0.42 0.79 0.00 -0.12 0.00 0.00 29.99 30.54 3f1h n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3f1h h ALA 62 N -1.57 1.93 0.76 1.57 0.00 -1.22 0.12 119.26 120.86 3f1h h ALA 62 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3f1h h ALA 62 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3f1h h ALA 62 CO 0.00 -0.47 -0.37 -0.09 0.00 0.00 0.00 179.25 178.33 3f1h h ARG 63 N 0.00 -0.99 -0.95 0.00 2.43 0.09 -2.19 114.38 112.78 3f1h h ARG 63 Ca 0.13 0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 3f1h h ARG 63 Cb 0.77 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.48 3f1h h ARG 63 CO -0.00 -0.64 0.61 0.00 -1.51 0.00 0.00 179.97 178.42 3f1h h ARG 64 N -1.14 0.94 -0.60 0.20 3.08 0.32 0.17 114.38 117.34 3f1h h ARG 64 Ca -0.10 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 59.93 3f1h h ARG 64 Cb 0.80 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 3f1h h ARG 64 CO 0.17 0.62 0.35 -0.07 -1.07 0.00 0.00 179.97 179.97 3f1h h LEU 65 N 0.96 0.53 -1.04 3.04 3.38 -0.85 0.35 115.31 121.69 3f1h h LEU 65 Ca 0.44 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.34 3f1h h LEU 65 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3f1h h LEU 65 CO -0.20 0.36 -0.42 0.58 0.09 0.00 0.00 178.44 178.85 3f1h h VAL 66 N 0.66 1.10 0.00 1.22 2.07 -0.66 -2.66 116.25 117.97 3f1h h VAL 66 Ca 0.26 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3f1h h VAL 66 Cb 0.10 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3f1h h VAL 66 CO -0.14 0.41 0.00 0.25 0.02 0.00 0.00 177.57 178.11 3f1h h LEU 67 N 0.00 0.00 0.14 2.57 7.12 0.26 -2.40 115.31 123.00 3f1h h LEU 67 Ca -0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 3f1h h LEU 67 Cb 0.85 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.98 3f1h h LEU 67 CO 0.05 0.00 -0.07 0.03 -0.13 0.00 0.00 178.44 178.33 3f1h h ARG 68 N 0.00 -0.19 0.25 1.25 3.08 -0.79 -3.38 114.38 114.60 3f1h h ARG 68 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3f1h h ARG 68 Cb 0.16 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3f1h h ARG 68 CO 0.00 0.26 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.60 3f1h h ASP 69 N -0.85 -0.28 -4.32 7.04 5.19 -1.63 -3.43 116.42 118.14 3f1h h ASP 69 Ca -0.02 -0.02 -0.51 0.00 -0.62 0.00 0.00 57.03 55.86 3f1h h ASP 69 Cb 0.54 0.07 0.11 0.00 0.18 0.00 0.00 39.33 40.23 3f1h h ASP 69 CO 0.03 0.18 0.35 -0.76 -3.12 0.00 0.00 179.24 175.92 3f1h s LEU 70 N -8.91 3.07 0.00 1.55 1.43 -0.93 -4.85 118.68 110.05 3f1h s LEU 70 Ca -0.05 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 3f1h s LEU 70 Cb 0.00 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.74 3f1h s LEU 70 CO 0.17 -1.71 0.00 1.67 0.23 0.00 0.00 176.35 176.71 3f1h n GLN 71 N -3.31 3.26 -2.48 1.70 -0.06 -1.26 -4.36 117.38 110.87 3f1h n GLN 71 Ca 0.08 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.65 3f1h n GLN 71 Cb 0.53 -0.72 -0.02 0.00 -4.06 0.00 0.00 30.24 25.97 3f1h n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3f1h s ASP 72 N -0.93 6.75 0.09 1.69 3.68 -1.26 -4.92 116.67 121.77 3f1h s ASP 72 Ca 0.00 1.16 -0.26 0.00 2.13 0.00 0.00 52.55 55.59 3f1h s ASP 72 Cb 0.00 -2.54 -0.15 0.00 -1.45 0.00 0.00 42.92 38.78 3f1h s ASP 72 CO 0.00 -1.02 1.70 0.58 0.13 0.00 0.00 175.17 176.56 3f1h h VAL 73 N 5.89 0.75 -1.06 1.11 2.07 -1.98 -0.13 116.25 122.91 3f1h h VAL 73 Ca -0.25 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.55 3f1h h VAL 73 Cb 1.09 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 3f1h h VAL 73 CO 1.03 0.00 0.68 0.11 0.02 0.00 0.00 177.57 179.42 3f1h h LYS 74 N -0.29 0.35 -0.03 1.57 1.57 -2.01 -0.52 116.57 117.22 3f1h h LYS 74 Ca -0.02 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 3f1h h LYS 74 Cb 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3f1h h LYS 74 CO 0.01 0.23 -0.69 1.25 -0.57 0.00 0.00 179.45 179.69 3f1h h LEU 75 N 0.36 0.18 -0.69 2.94 7.12 -1.45 -3.01 115.31 120.77 3f1h h LEU 75 Ca 0.60 -0.12 -0.14 0.00 0.13 0.00 0.00 57.88 58.35 3f1h h LEU 75 Cb 1.58 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.64 3f1h h LEU 75 CO -0.29 0.81 -0.62 -0.37 -0.13 0.00 0.00 178.44 177.85 3f1h h VAL 76 N 0.10 1.41 0.55 1.05 -1.51 -0.15 -2.61 116.25 115.09 3f1h h VAL 76 Ca -0.02 -2.05 -0.03 0.00 -1.23 0.00 0.00 66.70 63.38 3f1h h VAL 76 Cb 1.23 2.07 0.01 0.00 -2.13 0.00 0.00 31.29 32.46 3f1h h VAL 76 CO 0.10 0.60 -0.26 0.03 -1.23 0.00 0.00 177.57 176.80 3f1h h ARG 77 N 0.11 -0.71 -1.19 5.19 3.08 -1.36 -0.11 114.38 119.38 3f1h h ARG 77 Ca -0.01 0.05 0.38 0.00 0.07 0.00 0.00 59.98 60.47 3f1h h ARG 77 Cb 1.11 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 31.20 3f1h h ARG 77 CO 0.09 -0.46 0.75 -0.22 -1.07 0.00 0.00 179.97 179.07 3f1h h LYS 78 N -0.79 0.18 -0.15 0.04 3.64 -1.39 0.89 116.57 119.00 3f1h h LYS 78 Ca -0.08 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 3f1h h LYS 78 Cb 0.59 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3f1h h LYS 78 CO 0.12 0.12 -0.23 1.25 -2.27 0.00 0.00 179.45 178.45 3f1h h LEU 79 N 0.19 0.46 0.23 5.20 6.46 -0.88 -1.54 115.31 125.43 3f1h h LEU 79 Ca 0.75 -0.53 -0.34 0.00 -0.12 0.00 0.00 57.88 57.65 3f1h h LEU 79 Cb 2.17 -0.13 0.03 0.00 -0.73 0.00 0.00 40.66 42.00 3f1h h LEU 79 CO -0.43 0.90 -1.55 -0.26 -0.62 0.00 0.00 178.44 176.48 3f1h h PHE 80 N 0.04 0.87 -1.20 1.25 0.04 0.11 0.61 116.94 118.65 3f1h h PHE 80 Ca 0.01 -0.63 -0.68 0.00 2.80 0.00 0.00 57.97 59.47 3f1h h PHE 80 Cb 0.80 -0.03 -0.31 0.00 2.20 0.00 0.00 35.95 38.61 3f1h h PHE 80 CO 0.09 1.57 0.63 -0.25 -0.60 0.00 0.00 178.31 179.76 3f1h n ASP 81 N -3.66 7.19 0.00 2.17 10.43 0.28 -4.05 116.55 128.92 3f1h n ASP 81 Ca -0.19 -3.79 0.00 0.00 2.57 0.00 0.00 54.79 53.38 3f1h n ASP 81 Cb 1.09 -0.89 0.00 0.00 1.84 0.00 0.00 41.12 43.16 3f1h n ASP 81 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3f1h n GLU 82 N -0.80 0.00 -0.05 -1.24 2.13 -1.16 -4.81 120.64 114.72 3f1h n GLU 82 Ca 0.58 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.39 3f1h n GLU 82 Cb 0.61 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.32 3f1h n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3f1h h ILE 83 N 0.00 0.00 -0.52 6.31 1.08 -1.13 -3.25 117.51 120.00 3f1h h ILE 83 Ca 0.00 -0.89 0.10 0.00 -0.39 0.00 0.00 64.86 63.69 3f1h h ILE 83 Cb 0.00 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.66 3f1h h ILE 83 CO 0.00 0.00 -0.03 0.00 -0.69 0.00 0.00 178.15 177.43 3f1h h ALA 84 N -1.11 0.46 -0.32 1.87 0.00 0.03 -1.99 119.26 118.20 3f1h h ALA 84 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3f1h h ALA 84 Cb 0.08 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 3f1h h ALA 84 CO 0.00 -0.40 -0.34 -1.35 0.00 0.00 0.00 179.25 177.16 3f1h h PRO 85 N 0.09 -0.30 -1.01 0.00 0.11 -1.74 -1.38 132.00 127.77 3f1h h PRO 85 Ca 0.26 0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.62 3f1h h PRO 85 Cb 0.40 0.07 -0.11 0.00 0.11 0.00 0.00 31.00 31.47 3f1h h PRO 85 CO -0.46 -0.20 0.62 0.00 -0.21 0.00 0.00 178.00 177.75 3f1h h ARG 86 N -0.31 0.57 -0.15 1.05 3.08 -1.40 -1.46 114.38 115.76 3f1h h ARG 86 Ca 0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3f1h h ARG 86 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3f1h h ARG 86 CO -0.49 0.38 0.00 0.66 -1.07 0.00 0.00 179.97 179.45 3f1h n TYR 87 N -4.78 0.18 -1.63 3.04 4.01 -0.56 -4.92 117.16 112.50 3f1h n TYR 87 Ca 0.25 -0.09 -0.38 0.00 -0.16 0.00 0.00 57.90 57.52 3f1h n TYR 87 Cb 0.72 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.81 3f1h n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3f1h n ARG 88 N 0.63 0.98 -3.15 -0.72 3.00 -0.55 -2.58 116.66 114.27 3f1h n ARG 88 Ca 0.17 0.38 -0.16 0.00 -0.00 0.00 0.00 57.85 58.24 3f1h n ARG 88 Cb 0.42 -2.22 0.05 0.00 0.00 0.00 0.00 32.46 30.71 3f1h n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3f1h n ASP 89 N -0.85 -4.92 -3.41 6.15 9.92 -1.26 -5.00 116.55 117.19 3f1h n ASP 89 Ca 0.14 -0.33 -0.04 0.00 -0.53 0.00 0.00 54.79 54.03 3f1h n ASP 89 Cb 0.47 -3.56 -0.06 0.00 -0.64 0.00 0.00 41.12 37.33 3f1h n ASP 89 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3f1h s ARG 90 N -5.77 0.44 -0.71 -1.24 3.52 -1.07 -5.12 118.95 109.01 3f1h s ARG 90 Ca 0.36 0.92 -0.23 0.00 -0.13 0.00 0.00 55.73 56.65 3f1h s ARG 90 Cb -0.16 0.20 0.07 0.00 -1.56 0.00 0.00 34.95 33.50 3f1h s ARG 90 CO 0.44 -0.48 1.06 -0.65 -0.81 0.00 0.00 175.30 174.86 3f1h s GLN 91 N 2.70 3.17 1.96 5.12 -0.21 -1.26 -4.90 119.66 126.25 3f1h s GLN 91 Ca 0.09 -0.78 0.00 0.00 0.02 0.00 0.00 55.36 54.69 3f1h s GLN 91 Cb -0.14 -4.30 0.00 0.00 1.00 0.00 0.00 33.01 29.57 3f1h s GLN 91 CO -0.17 -1.90 0.00 0.41 -2.12 0.00 0.00 175.29 171.51 3f1h n GLY 92 N 5.40 -0.96 2.39 3.09 0.00 -1.26 -4.95 105.19 108.91 3f1h n GLY 92 Ca 0.01 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 3f1h n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 93 N 0.00 0.03 0.00 -0.02 0.00 -1.26 -4.83 105.19 99.11 3f1h n GLY 93 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.96 3f1h n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3f1h n TYR 94 N -3.72 0.00 -3.95 1.61 4.02 -1.26 -4.68 117.16 109.18 3f1h n TYR 94 Ca -0.21 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.51 3f1h n TYR 94 Cb 0.66 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.82 3f1h n TYR 94 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3f1h s THR 95 N -2.00 0.19 0.14 -0.72 2.01 -1.26 -1.12 115.64 112.89 3f1h s THR 95 Ca 0.13 0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.28 3f1h s THR 95 Cb 0.06 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 3f1h s THR 95 CO 0.10 0.13 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.36 3f1h s ARG 96 N 0.85 1.66 -0.31 4.92 3.52 -0.78 -4.88 118.95 123.92 3f1h s ARG 96 Ca -0.09 -1.30 -0.02 0.00 -0.13 0.00 0.00 55.73 54.19 3f1h s ARG 96 Cb -0.12 -2.01 0.11 0.00 -1.56 0.00 0.00 34.95 31.37 3f1h s ARG 96 CO -0.01 0.45 0.15 0.14 -0.81 0.00 0.00 175.30 175.22 3f1h s VAL 97 N -1.28 0.13 -0.02 7.11 -7.23 -1.26 -2.02 120.40 115.84 3f1h s VAL 97 Ca 0.18 -1.13 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 3f1h s VAL 97 Cb -0.10 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 3f1h s VAL 97 CO 0.09 -0.80 0.53 -0.76 -0.31 0.00 0.00 175.10 173.85 3f1h s LEU 98 N 1.72 4.41 -0.11 1.32 1.43 -0.07 -4.85 118.68 122.54 3f1h s LEU 98 Ca 0.12 1.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.98 3f1h s LEU 98 Cb -0.18 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 3f1h s LEU 98 CO -0.24 0.15 1.22 -0.54 0.23 0.00 0.00 176.35 177.17 3f1h s LYS 99 N -0.32 4.30 0.41 1.70 -0.14 -1.26 0.12 119.74 124.55 3f1h s LYS 99 Ca 0.28 1.66 -0.24 0.00 -1.36 0.00 0.00 55.97 56.31 3f1h s LYS 99 Cb -0.17 -3.64 -0.09 0.00 -1.68 0.00 0.00 37.83 32.25 3f1h s LYS 99 CO 0.15 -0.56 1.10 -0.51 -0.76 0.00 0.00 175.35 174.77 3f1h s LEU 100 N 2.76 4.14 -0.09 3.17 2.01 -0.98 -4.87 118.68 124.81 3f1h s LEU 100 Ca 0.55 2.16 0.10 0.00 0.01 0.00 0.00 54.13 56.96 3f1h s LEU 100 Cb -0.23 -4.14 0.47 0.00 0.01 0.00 0.00 46.19 42.29 3f1h s LEU 100 CO 0.18 -0.61 1.29 0.00 1.01 0.00 0.00 176.35 178.22 3f1h n ALA 101 N -0.08 3.03 -3.43 4.21 0.00 -1.26 -4.65 120.51 118.32 3f1h n ALA 101 Ca 0.05 -1.03 -0.21 0.00 0.00 0.00 0.00 53.44 52.25 3f1h n ALA 101 Cb 0.48 -1.04 -0.16 0.00 0.00 0.00 0.00 19.45 18.74 3f1h n ALA 101 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3f1h s GLU 102 N -1.84 0.99 -0.09 0.00 2.12 -1.26 -5.09 118.70 113.54 3f1h s GLU 102 Ca 0.32 -0.21 -0.17 0.00 0.36 0.00 0.00 54.97 55.28 3f1h s GLU 102 Cb 0.22 -0.93 -0.05 0.00 0.26 0.00 0.00 34.13 33.63 3f1h s GLU 102 CO 0.14 -0.01 0.44 1.03 -0.54 0.00 0.00 175.26 176.31 3f1h s ARG 103 N 0.65 4.21 0.36 4.30 0.52 -1.26 -3.35 118.95 124.39 3f1h s ARG 103 Ca -0.10 0.40 -0.26 0.00 -0.52 0.00 0.00 55.73 55.25 3f1h s ARG 103 Cb -0.13 -3.37 -0.12 0.00 0.52 0.00 0.00 34.95 31.85 3f1h s ARG 103 CO 0.01 0.33 0.99 -2.13 0.02 0.00 0.00 175.30 174.52 3f1h n ARG 104 N 3.10 1.35 -3.53 3.54 3.00 0.14 -4.86 116.66 119.40 3f1h n ARG 104 Ca -0.10 0.48 -0.32 0.00 -0.00 0.00 0.00 57.85 57.91 3f1h n ARG 104 Cb 0.52 -1.94 -0.05 0.00 0.00 0.00 0.00 32.46 30.99 3f1h n ARG 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3f1h s ARG 105 N -1.78 3.73 -0.98 -0.14 3.52 -1.26 -2.51 118.95 119.52 3f1h s ARG 105 Ca 0.61 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 56.34 3f1h s ARG 105 Cb -0.62 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 3f1h s ARG 105 CO 0.59 0.40 0.00 0.41 -0.81 0.00 0.00 175.30 175.89 3f1h n GLY 106 N 0.06 0.59 0.00 8.12 0.00 -1.26 -4.57 105.19 108.14 3f1h n GLY 106 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3f1h n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f1h n ASP 107 N 0.21 0.00 -1.80 1.61 3.85 -1.26 -5.02 116.55 114.14 3f1h n ASP 107 Ca -0.11 -0.17 -0.20 0.00 -0.71 0.00 0.00 54.79 53.60 3f1h n ASP 107 Cb 0.46 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.16 3f1h n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3f1h n GLY 108 N 0.00 1.30 3.72 6.12 0.00 -1.04 -4.93 105.19 110.35 3f1h n GLY 108 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3f1h n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1h s ALA 109 N -2.79 3.32 -0.13 4.61 0.00 -1.23 -4.73 121.76 120.81 3f1h s ALA 109 Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 3f1h s ALA 109 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3f1h s ALA 109 CO 0.00 -0.34 1.23 -1.25 0.00 0.00 0.00 175.76 175.41 3f1h s PRO 110 N 0.85 4.27 0.67 0.00 0.04 -1.26 0.28 135.00 139.85 3f1h s PRO 110 Ca 0.55 1.65 -0.00 0.00 0.04 0.00 0.00 61.00 63.24 3f1h s PRO 110 Cb -0.27 -3.70 0.10 0.00 0.04 0.00 0.00 34.50 30.67 3f1h s PRO 110 CO 0.29 -0.62 0.93 -0.51 0.04 0.00 0.00 177.00 177.13 3f1h s LEU 111 N 3.09 3.06 0.27 -3.56 1.43 -1.21 -2.92 118.68 118.83 3f1h s LEU 111 Ca 0.55 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.20 3f1h s LEU 111 Cb -0.22 -2.26 0.06 0.00 0.03 0.00 0.00 46.19 43.79 3f1h s LEU 111 CO 0.16 -1.63 0.90 0.00 0.23 0.00 0.00 176.35 176.01 3f1h s ALA 112 N -3.03 -1.24 -0.18 4.21 0.00 0.20 -2.32 121.76 119.41 3f1h s ALA 112 Ca 0.63 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3f1h s ALA 112 Cb -0.07 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.81 3f1h s ALA 112 CO 0.42 -1.03 -0.08 -1.17 0.00 0.00 0.00 175.76 173.90 3f1h s LEU 113 N -3.16 1.92 -0.10 0.00 2.96 0.33 -2.61 118.68 118.02 3f1h s LEU 113 Ca 0.17 -0.75 -0.10 0.00 -0.22 0.00 0.00 54.13 53.23 3f1h s LEU 113 Cb -0.04 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 3f1h s LEU 113 CO 0.07 -0.15 0.23 -0.69 -1.32 0.00 0.00 176.35 174.50 3f1h s VAL 114 N 1.51 5.34 -0.18 1.68 1.01 0.13 -0.89 120.40 129.01 3f1h s VAL 114 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 3f1h s VAL 114 Cb -0.15 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.75 3f1h s VAL 114 CO -0.08 0.55 0.45 -0.70 0.00 0.00 0.00 175.10 175.32 3f1h s GLU 115 N -0.66 0.47 -0.19 2.72 2.12 -0.86 0.29 118.70 122.59 3f1h s GLU 115 Ca 0.17 0.74 -0.29 0.00 0.36 0.00 0.00 54.97 55.95 3f1h s GLU 115 Cb -0.13 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 3f1h s GLU 115 CO 0.06 -0.11 1.85 -0.51 -0.54 0.00 0.00 175.26 176.01 3f1h s LEU 116 N 0.89 3.83 0.84 2.70 1.43 0.94 -1.87 118.68 127.45 3f1h s LEU 116 Ca -0.05 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.76 3f1h s LEU 116 Cb -0.06 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.70 3f1h s LEU 116 CO -0.07 -1.45 0.94 0.55 0.23 0.00 0.00 176.35 176.55 3f1h n VAL 117 N 6.71 1.30 -0.65 -1.59 3.14 -0.27 -4.94 118.33 122.03 3f1h n VAL 117 Ca 0.22 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3f1h n VAL 117 Cb 0.45 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 3f1h n VAL 117 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58