#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6s s GLN 2 N 0.00 3.33 0.59 5.31 0.74 -1.26 -1.20 119.66 127.17 1f6s s GLN 2 Ca 0.00 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 54.87 1f6s s GLN 2 Cb 0.00 -3.90 0.03 0.00 1.10 0.00 0.00 33.01 30.25 1f6s s GLN 2 CO 0.00 -0.75 0.87 -0.51 -0.55 0.00 0.00 175.29 174.34 1f6s s LEU 3 N 2.24 3.17 0.30 3.68 1.43 -0.59 -5.00 118.68 123.92 1f6s s LEU 3 Ca 0.15 0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.67 1f6s s LEU 3 Cb -0.16 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 1f6s s LEU 3 CO 0.14 -1.21 0.28 0.42 0.23 0.00 0.00 176.35 176.21 1f6s s THR 4 N -2.94 3.94 0.20 5.49 -4.23 -1.26 -4.79 115.64 112.05 1f6s s THR 4 Ca 0.56 -1.34 -0.21 0.00 -1.18 0.00 0.00 61.69 59.52 1f6s s THR 4 Cb -0.10 -3.30 0.14 0.00 1.34 0.00 0.00 72.50 70.58 1f6s s THR 4 CO 0.42 -0.24 1.57 0.50 -0.54 0.00 0.00 174.62 176.33 1f6s h LYS 5 N 1.30 -0.10 -0.47 3.99 3.64 -1.99 -0.06 116.57 122.88 1f6s h LYS 5 Ca -0.46 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 1f6s h LYS 5 Cb 1.25 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1f6s h LYS 5 CO 0.59 -0.07 0.01 0.00 -2.27 0.00 0.00 179.45 177.71 1f6s h GLU 7 N 0.72 0.62 -0.27 0.00 5.08 -1.56 -1.05 114.58 118.12 1f6s h GLU 7 Ca 0.14 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1f6s h GLU 7 Cb 0.43 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1f6s h GLU 7 CO 0.02 0.56 0.17 0.28 -1.00 0.00 0.00 179.01 179.03 1f6s h VAL 8 N 0.53 1.09 -0.62 3.13 2.07 -0.81 0.83 116.25 122.48 1f6s h VAL 8 Ca 0.14 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.56 1f6s h VAL 8 Cb 0.16 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1f6s h VAL 8 CO -0.01 0.09 0.23 0.15 0.02 0.00 0.00 177.57 178.04 1f6s h PHE 9 N 0.35 0.39 -0.10 1.57 3.57 -0.88 -1.33 116.94 120.51 1f6s h PHE 9 Ca 0.10 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.44 1f6s h PHE 9 Cb -0.00 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1f6s h PHE 9 CO -0.05 0.09 -0.73 0.00 -2.23 0.00 0.00 178.31 175.39 1f6s h ARG 10 N 0.40 0.51 0.00 1.11 3.08 -0.73 -3.25 114.38 115.50 1f6s h ARG 10 Ca 0.31 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1f6s h ARG 10 Cb 0.40 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1f6s h ARG 10 CO -0.32 1.04 -0.06 0.93 -1.07 0.00 0.00 179.97 180.49 1f6s h GLU 11 N 0.35 0.00 -0.61 0.04 5.08 -0.37 -3.15 114.58 115.91 1f6s h GLU 11 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1f6s h GLU 11 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1f6s h GLU 11 CO 0.13 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.48 1f6s n LEU 12 N -3.13 3.54 -0.33 1.33 4.77 -0.54 -4.59 117.00 118.04 1f6s n LEU 12 Ca 0.02 -1.79 0.13 0.00 -0.03 0.00 0.00 56.01 54.35 1f6s n LEU 12 Cb 0.45 -0.49 0.27 0.00 -2.33 0.00 0.00 43.42 41.33 1f6s n LEU 12 CO 0.32 0.61 0.81 0.50 -1.33 0.00 0.00 177.39 178.29 1f6s h LYS 13 N 2.92 0.03 0.00 3.23 1.63 -1.65 0.84 116.57 123.57 1f6s h LYS 13 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1f6s h LYS 13 Cb 1.11 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1f6s h LYS 13 CO 0.17 0.02 0.00 -0.44 -3.45 0.00 0.00 179.45 175.75 1f6s h ASP 14 N 0.03 0.00 0.38 4.20 3.32 -1.89 -2.40 116.42 120.05 1f6s h ASP 14 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1f6s h ASP 14 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1f6s h ASP 14 CO -0.89 0.00 -0.35 0.18 -1.72 0.00 0.00 179.24 176.46 1f6s n LEU 15 N -2.55 0.73 -4.62 1.55 4.77 0.29 -4.79 117.00 112.38 1f6s n LEU 15 Ca -0.01 -0.11 -0.56 0.00 -0.03 0.00 0.00 56.01 55.30 1f6s n LEU 15 Cb 0.13 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1f6s n LEU 15 CO 0.17 0.15 1.47 1.17 -1.33 0.00 0.00 177.39 179.02 1f6s n LYS 16 N -1.06 1.03 0.00 3.23 4.81 -0.91 -0.87 118.16 124.39 1f6s n LYS 16 Ca 0.09 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1f6s n LYS 16 Cb 0.34 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1f6s n LYS 16 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f6s n GLY 17 N 5.00 2.06 3.69 3.14 0.00 -0.03 -4.97 105.19 114.09 1f6s n GLY 17 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 1f6s n GLY 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f6s s TYR 18 N -2.19 2.21 -1.11 1.61 5.04 -0.05 -0.60 117.35 122.26 1f6s s TYR 18 Ca 0.00 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 1f6s s TYR 18 Cb 0.00 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 38.18 1f6s s TYR 18 CO 0.00 -4.62 0.00 0.41 -1.34 0.00 0.00 175.55 170.00 1f6s n GLY 19 N 4.18 1.14 2.11 8.97 0.00 -1.26 -2.87 105.19 117.46 1f6s n GLY 19 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 1f6s n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f6s n GLY 20 N -1.14 0.62 3.60 -0.02 0.00 0.23 -4.93 105.19 103.55 1f6s n GLY 20 Ca -0.10 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1f6s n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f6s s VAL 21 N -2.16 4.46 0.32 1.61 1.01 -1.14 -4.95 120.40 119.55 1f6s s VAL 21 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1f6s s VAL 21 Cb 0.00 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 1f6s s VAL 21 CO 0.00 0.50 0.64 -0.94 0.00 0.00 0.00 175.10 175.30 1f6s s SER 22 N 0.16 6.53 0.23 3.32 1.04 -1.26 -0.85 113.70 122.86 1f6s s SER 22 Ca 0.02 0.94 -0.07 0.00 0.48 0.00 0.00 55.95 57.33 1f6s s SER 22 Cb -0.13 -2.24 0.35 0.00 0.10 0.00 0.00 66.02 64.10 1f6s s SER 22 CO 0.01 -0.24 1.77 -0.07 0.98 0.00 0.00 173.24 175.69 1f6s h LEU 23 N 1.75 0.40 -0.94 2.42 3.38 -1.95 -0.60 115.31 119.77 1f6s h LEU 23 Ca -0.47 0.07 0.12 0.00 0.09 0.00 0.00 57.88 57.68 1f6s h LEU 23 Cb 1.18 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 1f6s h LEU 23 CO 0.66 0.22 0.57 -0.65 0.09 0.00 0.00 178.44 179.33 1f6s h PRO 24 N 0.55 0.88 -0.67 1.13 0.11 -1.94 0.70 132.00 132.75 1f6s h PRO 24 Ca 0.35 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1f6s h PRO 24 Cb 0.41 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 1f6s h PRO 24 CO -0.29 0.58 0.38 0.93 -0.21 0.00 0.00 178.00 179.39 1f6s h GLU 25 N 0.91 0.91 -0.16 1.05 5.08 -1.44 -1.65 114.58 119.28 1f6s h GLU 25 Ca 0.47 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1f6s h GLU 25 Cb 0.48 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1f6s h GLU 25 CO -0.27 0.66 -0.66 -1.49 -1.00 0.00 0.00 179.01 176.24 1f6s h TRP 26 N 0.93 0.83 -0.59 4.33 -0.00 -0.47 -1.14 115.95 119.84 1f6s h TRP 26 Ca 0.24 -0.33 -0.03 0.00 -0.00 0.00 0.00 58.89 58.77 1f6s h TRP 26 Cb -0.01 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.16 28.99 1f6s h TRP 26 CO 0.00 1.12 0.26 0.28 -0.00 0.00 0.00 178.44 180.10 1f6s h VAL 27 N 0.46 1.22 -0.46 1.49 2.07 -0.65 0.14 116.25 120.52 1f6s h VAL 27 Ca -0.02 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1f6s h VAL 27 Cb 1.25 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1f6s h VAL 27 CO 0.13 0.26 0.07 0.00 0.02 0.00 0.00 177.57 178.05 1f6s h THR 29 N 0.62 1.26 0.00 0.00 2.02 -0.90 -2.63 112.91 113.28 1f6s h THR 29 Ca 0.14 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 1f6s h THR 29 Cb 0.39 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1f6s h THR 29 CO 0.01 0.26 -0.22 0.71 0.37 0.00 0.00 175.52 176.65 1f6s h THR 30 N 0.00 1.07 -0.03 3.16 1.35 -1.00 -0.70 112.91 116.76 1f6s h THR 30 Ca 0.04 -0.78 -0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1f6s h THR 30 Cb 0.39 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1f6s h THR 30 CO 0.01 0.22 0.01 0.15 -0.25 0.00 0.00 175.52 175.65 1f6s h PHE 31 N 0.00 0.06 0.00 4.73 3.57 -1.23 0.45 116.94 124.52 1f6s h PHE 31 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1f6s h PHE 31 Cb 0.41 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1f6s h PHE 31 CO 0.00 0.25 0.00 0.72 -2.23 0.00 0.00 178.31 177.05 1f6s n HIS 32 N -4.95 0.00 -0.13 0.41 8.25 -1.01 -1.12 115.22 116.67 1f6s n HIS 32 Ca -0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.16 1f6s n HIS 32 Cb 0.13 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 1f6s n HIS 32 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1f6s n THR 33 N -1.06 1.43 -0.91 1.59 -1.04 -0.30 -4.83 114.28 109.16 1f6s n THR 33 Ca 0.21 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1f6s n THR 33 Cb 0.13 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 1f6s n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1f6s n SER 34 N -3.70 0.15 -1.80 8.00 3.41 0.11 -4.90 113.62 114.89 1f6s n SER 34 Ca -0.48 -1.06 -0.19 0.00 -0.26 0.00 0.00 58.87 56.89 1f6s n SER 34 Cb 0.92 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.82 1f6s n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f6s n GLY 35 N -0.03 0.64 2.31 5.00 0.00 -0.27 -1.54 105.19 111.30 1f6s n GLY 35 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 1f6s n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1f6s n TYR 36 N -3.28 0.00 -2.93 1.61 0.53 -1.24 -4.81 117.16 107.04 1f6s n TYR 36 Ca -0.20 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.25 1f6s n TYR 36 Cb 0.64 -0.75 -0.05 0.00 -1.03 0.00 0.00 39.34 38.15 1f6s n TYR 36 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1f6s s ASP 37 N -2.11 6.39 0.00 7.72 -1.08 -0.59 -1.54 116.67 125.46 1f6s s ASP 37 Ca 0.00 -0.19 0.14 0.00 -0.52 0.00 0.00 52.55 51.98 1f6s s ASP 37 Cb 0.00 -2.40 0.65 0.00 -1.46 0.00 0.00 42.92 39.71 1f6s s ASP 37 CO 0.00 -1.00 1.43 0.35 0.52 0.00 0.00 175.17 176.47 1f6s n THR 38 N 6.15 0.88 -0.81 1.71 -2.24 -0.34 -1.96 114.28 117.67 1f6s n THR 38 Ca 0.02 0.22 0.08 0.00 -2.27 0.00 0.00 64.05 62.10 1f6s n THR 38 Cb 0.48 -0.98 0.24 0.00 -2.10 0.00 0.00 70.33 67.97 1f6s n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6s n GLN 39 N -1.43 2.96 -1.98 -0.78 6.02 -1.26 -4.14 117.38 116.77 1f6s n GLN 39 Ca 0.05 -2.67 -0.40 0.00 -0.01 0.00 0.00 57.00 53.97 1f6s n GLN 39 Cb 0.15 -1.73 -0.00 0.00 1.02 0.00 0.00 30.24 29.68 1f6s n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f6s s ALA 40 N -2.41 3.29 -0.23 -1.58 0.00 -0.83 -4.83 121.76 115.18 1f6s s ALA 40 Ca 0.38 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 1f6s s ALA 40 Cb 0.29 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 20.00 1f6s s ALA 40 CO 0.11 -0.92 0.28 0.42 0.00 0.00 0.00 175.76 175.65 1f6s s ILE 41 N -1.23 -0.42 -0.13 0.00 1.01 -1.26 -1.11 121.20 118.06 1f6s s ILE 41 Ca 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 1f6s s ILE 41 Cb -0.40 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 1f6s s ILE 41 CO 0.52 -0.21 -0.09 -0.69 0.00 0.00 0.00 174.94 174.46 1f6s s VAL 42 N 2.40 3.39 -0.30 2.92 1.01 -1.03 -4.99 120.40 123.80 1f6s s VAL 42 Ca 0.09 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1f6s s VAL 42 Cb -0.15 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.85 1f6s s VAL 42 CO -0.16 0.52 -0.02 -1.58 0.00 0.00 0.00 175.10 173.86 1f6s s GLN 43 N 0.24 2.20 0.72 2.72 0.74 -1.26 -1.16 119.66 123.86 1f6s s GLN 43 Ca -0.06 -1.42 -0.08 0.00 0.05 0.00 0.00 55.36 53.84 1f6s s GLN 43 Cb -0.15 -3.10 0.16 0.00 1.10 0.00 0.00 33.01 31.02 1f6s s GLN 43 CO 0.04 -0.67 0.98 0.09 -0.55 0.00 0.00 175.29 175.18 1f6s n ASN 44 N 4.50 0.47 -0.08 6.67 3.02 -0.14 -4.95 115.26 124.75 1f6s n ASN 44 Ca -0.11 -1.60 -0.02 0.00 -0.03 0.00 0.00 54.58 52.83 1f6s n ASN 44 Cb 0.42 -0.71 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 1f6s n ASN 44 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f6s n ASN 45 N -3.40 -0.20 -1.63 6.41 3.02 -1.26 -3.13 115.26 115.06 1f6s n ASN 45 Ca 0.14 0.49 0.02 0.00 -0.03 0.00 0.00 54.58 55.20 1f6s n ASN 45 Cb 0.48 -0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.54 1f6s n ASN 45 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1f6s n ASP 46 N -3.51 0.83 -4.00 6.41 5.68 -1.26 -5.09 116.55 115.60 1f6s n ASP 46 Ca 0.00 -2.01 -0.08 0.00 -0.50 0.00 0.00 54.79 52.20 1f6s n ASP 46 Cb 0.05 -0.25 -0.10 0.00 -1.14 0.00 0.00 41.12 39.68 1f6s n ASP 46 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1f6s s SER 47 N -2.11 0.30 -0.04 -1.12 1.04 -1.18 -5.01 113.70 105.58 1f6s s SER 47 Ca 0.29 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1f6s s SER 47 Cb 0.34 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1f6s s SER 47 CO -0.14 -0.47 -0.11 -0.89 0.98 0.00 0.00 173.24 172.62 1f6s s THR 48 N -2.64 0.97 -0.11 2.02 2.01 -1.26 -0.96 115.64 115.66 1f6s s THR 48 Ca -0.05 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1f6s s THR 48 Cb -0.01 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1f6s s THR 48 CO -0.05 0.30 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.52 1f6s s GLU 49 N 0.37 3.25 -0.01 4.92 2.02 -0.31 -1.27 118.70 127.66 1f6s s GLU 49 Ca -0.07 -0.52 0.06 0.00 0.02 0.00 0.00 54.97 54.45 1f6s s GLU 49 Cb -0.12 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 1f6s s GLU 49 CO 0.02 0.45 -0.18 0.71 0.02 0.00 0.00 175.26 176.28 1f6s s TYR 50 N -0.22 2.57 0.00 1.61 2.02 -0.17 -2.47 117.35 120.69 1f6s s TYR 50 Ca 0.04 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 1f6s s TYR 50 Cb -0.13 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1f6s s TYR 50 CO 0.02 0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.57 1f6s n GLY 51 N 2.10 -1.10 0.29 0.71 0.00 -0.27 -1.91 105.19 105.01 1f6s n GLY 51 Ca -0.17 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 44.81 1f6s n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1f6s h LEU 52 N 0.00 0.15 -1.05 0.99 5.85 -1.72 -1.07 115.31 118.46 1f6s h LEU 52 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1f6s h LEU 52 Cb 0.00 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1f6s h LEU 52 CO 0.00 -0.02 -0.11 0.49 -0.34 0.00 0.00 178.44 178.46 1f6s n PHE 53 N -5.11 0.00 -3.71 1.25 3.72 -1.26 -4.26 117.46 108.09 1f6s n PHE 53 Ca 0.17 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.26 1f6s n PHE 53 Cb 0.54 -0.03 0.04 0.00 -0.94 0.00 0.00 39.48 39.09 1f6s n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1f6s n GLN 54 N 0.20 -1.50 -2.89 -1.08 1.13 -0.41 -4.93 117.38 107.90 1f6s n GLN 54 Ca 0.15 0.45 -0.41 0.00 -1.94 0.00 0.00 57.00 55.25 1f6s n GLN 54 Cb 0.41 -4.16 -0.04 0.00 0.11 0.00 0.00 30.24 26.56 1f6s n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1f6s s ILE 55 N -3.52 4.88 0.62 5.09 1.01 -0.80 -4.48 121.20 124.00 1f6s s ILE 55 Ca 0.42 1.63 -0.12 0.00 0.00 0.00 0.00 60.65 62.58 1f6s s ILE 55 Cb -0.15 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1f6s s ILE 55 CO 0.86 0.03 1.03 0.54 0.00 0.00 0.00 174.94 177.40 1f6s s ASN 56 N 1.16 6.11 -0.01 3.58 2.20 -1.26 -1.00 114.94 125.71 1f6s s ASN 56 Ca 0.38 1.48 0.14 0.00 -0.94 0.00 0.00 52.86 53.92 1f6s s ASN 56 Cb -0.17 -2.48 0.41 0.00 -2.00 0.00 0.00 41.25 37.01 1f6s s ASN 56 CO 0.12 -0.95 1.33 -0.46 -2.94 0.00 0.00 177.10 174.20 1f6s n ASN 57 N -2.67 2.56 -0.03 3.54 6.94 -0.40 -2.88 115.26 122.33 1f6s n ASN 57 Ca 0.06 -2.05 -0.15 0.00 -0.02 0.00 0.00 54.58 52.42 1f6s n ASN 57 Cb 0.54 -0.33 -0.13 0.00 -2.36 0.00 0.00 39.78 37.50 1f6s n ASN 57 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1f6s h LYS 58 N 2.65 0.11 0.00 -3.83 1.57 -1.84 -3.42 116.57 111.80 1f6s h LYS 58 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1f6s h LYS 58 Cb 0.68 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1f6s h LYS 58 CO 0.03 0.99 -0.04 0.44 -0.57 0.00 0.00 179.45 180.29 1f6s n ILE 59 N -4.50 0.00 -0.04 1.86 -5.35 -1.26 -3.21 119.36 106.86 1f6s n ILE 59 Ca -0.10 -0.03 -0.21 0.00 -0.27 0.00 0.00 62.75 62.13 1f6s n ILE 59 Cb 0.53 0.61 -0.13 0.00 -1.74 0.00 0.00 39.64 38.92 1f6s n ILE 59 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 1f6s h TRP 60 N 0.00 0.26 -3.97 4.28 4.06 -1.84 0.25 115.95 118.99 1f6s h TRP 60 Ca 0.00 -0.19 -0.24 0.00 2.06 0.00 0.00 58.89 60.52 1f6s h TRP 60 Cb 0.00 -0.01 -0.15 0.00 -1.00 0.00 0.00 29.16 28.00 1f6s h TRP 60 CO 0.00 1.56 -0.67 0.00 -3.56 0.00 0.00 178.44 175.77 1f6s s LYS 62 N -3.93 2.59 0.00 0.00 -2.85 -0.79 -4.24 119.74 110.52 1f6s s LYS 62 Ca 0.21 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.42 1f6s s LYS 62 Cb 0.06 -2.34 -0.00 0.00 -2.06 0.00 0.00 37.83 33.49 1f6s s LYS 62 CO 0.01 0.52 0.00 -0.40 0.10 0.00 0.00 175.35 175.58 1f6s n ASP 63 N 2.60 0.69 0.14 0.03 5.75 -1.26 -1.80 116.55 122.70 1f6s n ASP 63 Ca -0.17 -1.02 0.02 0.00 -0.01 0.00 0.00 54.79 53.60 1f6s n ASP 63 Cb 0.52 0.01 0.11 0.00 -1.03 0.00 0.00 41.12 40.74 1f6s n ASP 63 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1f6s h ASP 64 N 0.02 0.00 -1.07 -1.12 3.32 -1.99 -3.12 116.42 112.46 1f6s h ASP 64 Ca -0.00 0.00 0.29 0.00 0.02 0.00 0.00 57.03 57.33 1f6s h ASP 64 Cb 0.01 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.47 1f6s h ASP 64 CO 0.00 0.55 0.70 -0.61 -1.72 0.00 0.00 179.24 178.16 1f6s h GLN 65 N 0.00 0.31 -0.56 3.56 4.15 -1.99 -3.35 115.11 117.24 1f6s h GLN 65 Ca -0.01 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.45 1f6s h GLN 65 Cb 1.27 -0.07 -0.18 0.00 0.21 0.00 0.00 27.48 28.71 1f6s h GLN 65 CO 0.07 0.21 -0.26 0.54 -1.93 0.00 0.00 178.83 177.46 1f6s s ASN 66 N -5.21 -0.86 0.00 -0.69 2.20 -1.24 -5.03 114.94 104.11 1f6s s ASN 66 Ca -0.08 -0.41 0.00 0.00 -0.94 0.00 0.00 52.86 51.43 1f6s s ASN 66 Cb 0.25 1.12 0.00 0.00 -2.00 0.00 0.00 41.25 40.62 1f6s s ASN 66 CO 0.80 -0.10 0.52 -2.65 -2.94 0.00 0.00 177.10 172.73 1f6s n PRO 67 N 4.06 0.00 -0.82 3.55 -0.02 -1.18 -2.94 135.00 137.66 1f6s n PRO 67 Ca 0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1f6s n PRO 67 Cb 0.60 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.88 1f6s n PRO 67 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1f6s n HIS 68 N -1.02 1.81 -1.68 6.00 8.25 -1.26 -4.97 115.22 122.35 1f6s n HIS 68 Ca 0.00 -1.10 -0.32 0.00 -0.26 0.00 0.00 57.72 56.04 1f6s n HIS 68 Cb 0.00 -0.54 0.05 0.00 1.12 0.00 0.00 29.99 30.62 1f6s n HIS 68 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1f6s s SER 69 N -1.46 5.22 0.49 0.41 1.04 -1.15 -4.90 113.70 113.35 1f6s s SER 69 Ca 0.50 1.82 0.21 0.00 0.48 0.00 0.00 55.95 58.96 1f6s s SER 69 Cb 0.41 -2.53 1.25 0.00 0.10 0.00 0.00 66.02 65.25 1f6s s SER 69 CO 0.11 -1.55 1.96 0.28 0.98 0.00 0.00 173.24 175.02 1f6s h SER 70 N -0.29 0.17 -6.48 7.02 0.02 -1.72 -3.46 113.55 108.80 1f6s h SER 70 Ca -0.45 0.01 -0.50 0.00 -0.84 0.00 0.00 61.79 60.01 1f6s h SER 70 Cb 1.23 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 1f6s h SER 70 CO 0.55 0.09 -0.87 -3.20 -1.14 0.00 0.00 176.83 172.26 1f6s n ASN 71 N -4.42 -0.84 -0.30 3.07 5.15 -0.69 -4.85 115.26 112.39 1f6s n ASN 71 Ca 0.12 -0.98 0.06 0.00 -0.60 0.00 0.00 54.58 53.17 1f6s n ASN 71 Cb 0.58 -3.14 0.27 0.00 -0.53 0.00 0.00 39.78 36.96 1f6s n ASN 71 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1f6s h ILE 72 N -1.82 1.00 0.00 -1.44 2.04 -0.45 0.30 117.51 117.15 1f6s h ILE 72 Ca -0.62 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1f6s h ILE 72 Cb 1.37 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1f6s h ILE 72 CO 0.64 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.96 1f6s n ASN 74 N -0.91 -4.68 -3.51 0.00 4.05 0.11 -4.96 115.26 105.36 1f6s n ASN 74 Ca 0.18 -1.14 -0.16 0.00 0.45 0.00 0.00 54.58 53.91 1f6s n ASN 74 Cb 0.08 -2.18 -0.05 0.00 1.23 0.00 0.00 39.78 38.86 1f6s n ASN 74 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1f6s s ILE 75 N -3.39 0.00 0.05 -1.44 2.07 -1.26 -5.08 121.20 112.14 1f6s s ILE 75 Ca 0.39 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.32 1f6s s ILE 75 Cb -0.19 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.35 1f6s s ILE 75 CO 0.93 0.00 1.08 -0.55 -1.91 0.00 0.00 174.94 174.49 1f6s s SER 76 N -1.52 7.24 0.61 4.50 0.15 -1.26 -1.88 113.70 121.53 1f6s s SER 76 Ca -0.07 1.86 0.29 0.00 0.70 0.00 0.00 55.95 58.73 1f6s s SER 76 Cb -0.00 -2.58 1.51 0.00 -1.71 0.00 0.00 66.02 63.24 1f6s s SER 76 CO 0.04 -0.34 1.90 0.00 1.20 0.00 0.00 173.24 176.04 1f6s h ASP 78 N 0.00 0.00 0.41 0.00 2.03 -1.91 -1.46 116.42 115.48 1f6s h ASP 78 Ca 0.15 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1f6s h ASP 78 Cb 1.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 1f6s h ASP 78 CO -0.00 0.07 0.00 0.29 -1.03 0.00 0.00 179.24 178.57 1f6s n LYS 79 N -3.79 0.09 -0.38 4.15 4.76 -0.56 -1.81 118.16 120.62 1f6s n LYS 79 Ca -0.02 0.42 0.07 0.00 -2.87 0.00 0.00 58.31 55.91 1f6s n LYS 79 Cb 0.17 -1.71 0.24 0.00 -1.84 0.00 0.00 35.03 31.89 1f6s n LYS 79 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1f6s n PHE 80 N -1.89 0.93 0.19 2.13 0.99 -0.55 -4.03 117.46 115.24 1f6s n PHE 80 Ca 0.02 -0.39 0.02 0.00 -0.00 0.00 0.00 57.45 57.09 1f6s n PHE 80 Cb 0.14 -0.13 -0.01 0.00 -1.00 0.00 0.00 39.48 38.48 1f6s n PHE 80 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1f6s n LEU 81 N 0.79 0.56 0.00 4.37 4.77 -0.75 -3.23 117.00 123.51 1f6s n LEU 81 Ca 0.18 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1f6s n LEU 81 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1f6s n LEU 81 CO 0.15 0.13 0.00 -0.90 -1.33 0.00 0.00 177.39 175.44 1f6s n ASP 82 N -0.67 0.00 -0.81 -1.43 5.68 -1.26 -4.46 116.55 113.60 1f6s n ASP 82 Ca 0.01 -0.76 0.12 0.00 -0.50 0.00 0.00 54.79 53.67 1f6s n ASP 82 Cb 0.08 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.23 1f6s n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1f6s n ASP 83 N -2.27 2.59 -4.50 -1.12 8.00 -1.26 -4.83 116.55 113.16 1f6s n ASP 83 Ca 0.00 -1.84 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 1f6s n ASP 83 Cb 0.00 0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.07 1f6s n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1f6s s ASP 84 N -2.06 6.18 0.00 -2.24 2.15 -1.26 -4.93 116.67 114.51 1f6s s ASP 84 Ca 0.29 -0.56 0.23 0.00 0.43 0.00 0.00 52.55 52.93 1f6s s ASP 84 Cb 0.20 -2.21 1.24 0.00 -0.30 0.00 0.00 42.92 41.85 1f6s s ASP 84 CO 0.34 -0.50 1.82 0.18 -0.17 0.00 0.00 175.17 176.84 1f6s n LEU 85 N 5.51 0.41 0.05 -1.34 4.77 -1.26 -4.28 117.00 120.85 1f6s n LEU 85 Ca -0.08 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.63 1f6s n LEU 85 Cb 0.48 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1f6s n LEU 85 CO 0.44 0.08 0.73 0.74 -1.33 0.00 0.00 177.39 178.05 1f6s h THR 86 N 0.58 0.53 -0.02 -5.08 2.02 -1.95 0.23 112.91 109.22 1f6s h THR 86 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 1f6s h THR 86 Cb 0.12 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1f6s h THR 86 CO 0.00 0.00 -0.66 -2.24 0.37 0.00 0.00 175.52 172.99 1f6s h ASP 87 N -0.30 0.10 -0.37 4.18 3.04 -1.93 -2.58 116.42 118.56 1f6s h ASP 87 Ca 0.06 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1f6s h ASP 87 Cb 0.39 -0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 38.63 1f6s h ASP 87 CO -0.20 0.74 0.25 0.44 -2.04 0.00 0.00 179.24 178.43 1f6s h ASP 88 N 0.06 0.43 -0.74 4.15 5.19 -1.69 -2.34 116.42 121.48 1f6s h ASP 88 Ca -0.01 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 1f6s h ASP 88 Cb 1.18 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.55 1f6s h ASP 88 CO 0.09 0.31 0.27 0.40 -3.12 0.00 0.00 179.24 177.20 1f6s h ILE 89 N 0.51 1.26 -0.02 0.35 2.04 -0.91 -1.32 117.51 119.42 1f6s h ILE 89 Ca 0.14 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 1f6s h ILE 89 Cb -0.06 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1f6s h ILE 89 CO -0.03 0.33 -0.20 0.24 0.00 0.00 0.00 178.15 178.50 1f6s h MET 90 N 1.07 0.03 0.08 2.37 2.86 -1.21 -1.03 114.93 119.10 1f6s h MET 90 Ca 0.24 -0.01 -0.28 0.00 -2.06 0.00 0.00 59.70 57.59 1f6s h MET 90 Cb 0.25 -0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.93 1f6s h MET 90 CO -0.02 0.23 -1.16 0.00 1.06 0.00 0.00 176.91 177.02 1f6s h VAL 92 N 0.30 1.15 -0.50 0.00 2.07 -0.67 -0.79 116.25 117.81 1f6s h VAL 92 Ca -0.16 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1f6s h VAL 92 Cb 1.83 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1f6s h VAL 92 CO 0.22 0.21 0.14 0.11 0.02 0.00 0.00 177.57 178.28 1f6s h LYS 93 N 1.17 0.75 -0.30 1.57 1.57 -1.23 0.07 116.57 120.17 1f6s h LYS 93 Ca 0.37 -0.14 -0.15 0.00 -1.87 0.00 0.00 60.65 58.87 1f6s h LYS 93 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1f6s h LYS 93 CO -0.12 0.67 -0.40 0.87 -0.57 0.00 0.00 179.45 179.90 1f6s h LYS 94 N 0.73 0.73 -0.47 3.15 1.57 -1.25 -0.30 116.57 120.74 1f6s h LYS 94 Ca 0.17 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1f6s h LYS 94 Cb 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1f6s h LYS 94 CO -0.01 1.00 -0.01 0.82 -0.57 0.00 0.00 179.45 180.68 1f6s h ILE 95 N 0.60 1.24 -0.43 1.86 2.04 -0.50 -2.28 117.51 120.03 1f6s h ILE 95 Ca 0.05 -1.00 -0.14 0.00 1.00 0.00 0.00 64.86 64.76 1f6s h ILE 95 Cb 0.94 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1f6s h ILE 95 CO 0.09 0.35 -0.29 -0.07 0.00 0.00 0.00 178.15 178.22 1f6s h LEU 96 N 0.72 1.01 -1.13 1.44 3.38 -0.61 0.14 115.31 120.26 1f6s h LEU 96 Ca 0.14 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1f6s h LEU 96 Cb 0.45 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1f6s h LEU 96 CO 0.02 1.22 0.19 0.44 0.09 0.00 0.00 178.44 180.41 1f6s h ASP 97 N 0.81 0.74 0.00 -0.43 3.32 -0.84 -2.75 116.42 117.27 1f6s h ASP 97 Ca 0.09 -0.10 -0.34 0.00 0.02 0.00 0.00 57.03 56.69 1f6s h ASP 97 Cb 0.88 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 1f6s h ASP 97 CO 0.08 0.69 -1.86 0.29 -1.72 0.00 0.00 179.24 176.71 1f6s n LYS 98 N -4.31 0.58 -0.04 3.56 5.02 -0.88 -4.77 118.16 117.32 1f6s n LYS 98 Ca 0.04 0.43 0.01 0.00 -2.02 0.00 0.00 58.31 56.78 1f6s n LYS 98 Cb 0.18 -1.63 -0.12 0.00 -0.02 0.00 0.00 35.03 33.45 1f6s n LYS 98 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1f6s n VAL 99 N -4.35 0.43 0.00 -0.18 0.31 0.41 -5.10 118.33 109.85 1f6s n VAL 99 Ca -0.43 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 1f6s n VAL 99 Cb 0.78 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1f6s n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f6s n GLY 100 N 1.82 -0.39 0.36 2.92 0.00 -0.74 -4.49 105.19 104.66 1f6s n GLY 100 Ca -0.12 -1.72 0.17 0.00 0.00 0.00 0.00 46.02 44.35 1f6s n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1f6s h ILE 101 N 0.00 0.16 0.00 -0.61 6.09 -1.87 -1.97 117.51 119.30 1f6s h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1f6s h ILE 101 Cb 0.00 0.66 0.00 0.00 0.47 0.00 0.00 36.82 37.95 1f6s h ILE 101 CO 0.00 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.67 1f6s n ASN 102 N -3.23 0.62 -0.21 2.19 5.03 -1.26 -1.55 115.26 116.85 1f6s n ASN 102 Ca 0.02 0.72 0.17 0.00 0.87 0.00 0.00 54.58 56.36 1f6s n ASN 102 Cb 0.48 -0.83 0.50 0.00 -1.02 0.00 0.00 39.78 38.91 1f6s n ASN 102 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1f6s h TYR 103 N 0.00 0.54 -2.81 3.10 3.20 -1.61 -3.27 116.97 116.12 1f6s h TYR 103 Ca 0.00 0.02 -0.69 0.00 3.14 0.00 0.00 58.73 61.20 1f6s h TYR 103 Cb 0.17 -0.17 -0.19 0.00 1.54 0.00 0.00 36.73 38.08 1f6s h TYR 103 CO 0.00 0.17 0.37 -1.58 -1.64 0.00 0.00 178.16 175.49 1f6s s TRP 104 N -5.44 3.01 0.55 -3.82 0.51 -0.59 -4.92 118.94 108.23 1f6s s TRP 104 Ca -0.08 -1.04 0.24 0.00 -2.12 0.00 0.00 56.10 53.10 1f6s s TRP 104 Cb 0.22 -4.13 1.45 0.00 -0.81 0.00 0.00 33.47 30.20 1f6s s TRP 104 CO 0.78 -1.40 2.06 -0.07 -0.51 0.00 0.00 176.95 177.81 1f6s h LEU 105 N 10.22 0.00 -1.27 2.99 3.38 -1.83 -2.15 115.31 126.65 1f6s h LEU 105 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1f6s h LEU 105 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1f6s h LEU 105 CO 1.09 0.00 0.22 0.00 0.09 0.00 0.00 178.44 179.84 1f6s h ALA 106 N 1.80 1.43 0.30 1.53 0.00 -1.91 -3.00 119.26 119.41 1f6s h ALA 106 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1f6s h ALA 106 Cb 0.61 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1f6s h ALA 106 CO -0.00 0.44 -0.29 1.25 0.00 0.00 0.00 179.25 180.66 1f6s h HIS 107 N 0.72 -0.76 -0.35 0.00 -0.00 -1.71 0.37 115.15 113.43 1f6s h HIS 107 Ca 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.51 1f6s h HIS 107 Cb 0.12 0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1f6s h HIS 107 CO 0.01 -0.41 0.07 -0.22 -0.00 0.00 0.00 177.93 177.38 1f6s h LYS 108 N -0.61 0.56 0.03 5.26 3.64 -1.72 -0.24 116.57 123.49 1f6s h LYS 108 Ca -0.01 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1f6s h LYS 108 Cb 0.56 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1f6s h LYS 108 CO -0.05 0.62 -0.01 0.00 -2.27 0.00 0.00 179.45 177.74 1f6s h ALA 109 N 0.91 -0.04 0.00 5.00 0.00 -1.44 -3.40 119.26 120.30 1f6s h ALA 109 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1f6s h ALA 109 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1f6s h ALA 109 CO 0.00 -0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.16 1f6s n LEU 110 N -4.97 0.86 -1.11 0.00 4.77 0.13 -4.83 117.00 111.86 1f6s n LEU 110 Ca -0.08 -0.92 0.04 0.00 -0.03 0.00 0.00 56.01 55.03 1f6s n LEU 110 Cb 0.17 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1f6s n LEU 110 CO 0.33 0.22 0.20 0.00 -1.33 0.00 0.00 177.39 176.81 1f6s n SER 112 N -0.30 1.33 0.00 0.00 7.64 -1.07 -4.82 113.62 116.41 1f6s n SER 112 Ca 0.13 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1f6s n SER 112 Cb 0.93 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.81 1f6s n SER 112 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1f6s n GLU 113 N -0.63 0.00 -2.07 1.43 0.28 -1.26 -5.08 120.64 113.31 1f6s n GLU 113 Ca 0.06 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.66 1f6s n GLU 113 Cb 0.32 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.19 1f6s n GLU 113 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1f6s s LYS 114 N 0.00 3.94 0.00 3.44 1.02 -1.26 -4.93 119.74 121.95 1f6s s LYS 114 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 55.97 58.11 1f6s s LYS 114 Cb 0.00 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1f6s s LYS 114 CO 0.00 -0.50 0.00 1.47 -0.92 0.00 0.00 175.35 175.40 1f6s n LEU 115 N 0.07 0.00 -0.03 3.17 -0.00 -1.26 -4.92 117.00 114.03 1f6s n LEU 115 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.97 1f6s n LEU 115 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.84 1f6s n LEU 115 CO 0.55 0.02 0.75 0.44 -0.00 0.00 0.00 177.39 179.15 1f6s h ASP 116 N 0.00 -0.52 0.08 1.45 3.32 -1.98 -0.72 116.42 118.05 1f6s h ASP 116 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1f6s h ASP 116 Cb 0.21 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1f6s h ASP 116 CO 0.00 -0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.32 1f6s n GLN 117 N -5.32 0.03 -0.11 3.56 10.64 -1.26 -1.89 117.38 123.03 1f6s n GLN 117 Ca -0.02 0.32 0.08 0.00 -1.83 0.00 0.00 57.00 55.56 1f6s n GLN 117 Cb 0.23 -1.50 0.13 0.00 -0.86 0.00 0.00 30.24 28.25 1f6s n GLN 117 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1f6s n TRP 118 N -1.36 0.30 -3.24 2.61 7.02 -0.29 -4.98 117.44 117.49 1f6s n TRP 118 Ca 0.01 -0.22 -0.37 0.00 -1.02 0.00 0.00 57.50 55.90 1f6s n TRP 118 Cb 0.03 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 28.85 1f6s n TRP 118 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1f6s s LEU 119 N -1.19 4.45 -0.48 -0.99 1.43 -0.79 -4.72 118.68 116.39 1f6s s LEU 119 Ca 0.25 1.27 -0.16 0.00 -1.03 0.00 0.00 54.13 54.46 1f6s s LEU 119 Cb 0.15 -3.16 0.07 0.00 0.03 0.00 0.00 46.19 43.29 1f6s s LEU 119 CO 0.21 0.18 0.41 0.00 0.23 0.00 0.00 176.35 177.38 1f6s n GLU 121 N 5.24 3.84 0.00 0.00 1.02 -1.26 -5.08 120.64 124.40 1f6s n GLU 121 Ca -0.12 -2.90 0.00 0.00 -0.02 0.00 0.00 57.16 54.12 1f6s n GLU 121 Cb 0.44 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 1f6s n GLU 121 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67