#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 3.02 0.81 3.44 2.00 -1.26 -0.56 119.66 127.10 1f6s s GLN 2 Ca 0.00 -1.49 -0.11 0.00 -2.00 0.00 0.00 55.36 51.77 1f6s s GLN 2 Cb 0.00 -4.26 0.11 0.00 0.80 0.00 0.00 33.01 29.66 1f6s s GLN 2 CO 0.00 -1.38 1.15 -0.51 -0.50 0.00 0.00 175.29 174.05 1f6s s LEU 3 N 2.08 2.69 0.37 3.68 1.43 -0.53 -5.01 118.68 123.39 1f6s s LEU 3 Ca 0.07 0.47 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 1f6s s LEU 3 Cb -0.27 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.00 1f6s s LEU 3 CO 0.05 -2.02 -0.05 0.42 0.23 0.00 0.00 176.35 174.97 1f6s s THR 4 N -3.53 2.15 0.15 5.49 -4.23 -1.26 -4.83 115.64 109.58 1f6s s THR 4 Ca 0.65 -2.13 -0.31 0.00 -1.18 0.00 0.00 61.69 58.72 1f6s s THR 4 Cb -0.09 -2.78 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 1f6s s THR 4 CO 0.48 -0.13 1.55 0.50 -0.54 0.00 0.00 174.62 176.49 1f6s h LYS 5 N 1.92 -0.26 0.00 3.99 3.64 -1.99 -1.12 116.57 122.76 1f6s h LYS 5 Ca -0.43 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1f6s h LYS 5 Cb 1.25 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1f6s h LYS 5 CO 0.74 -0.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 1f6s h GLU 7 N 0.00 0.40 -0.64 0.00 5.08 -1.79 -2.80 114.58 114.82 1f6s h GLU 7 Ca 0.00 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1f6s h GLU 7 Cb 0.66 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1f6s h GLU 7 CO 0.00 1.02 0.30 0.28 -1.00 0.00 0.00 179.01 179.61 1f6s h VAL 8 N -0.10 1.21 -0.77 3.13 2.07 -1.08 -0.47 116.25 120.24 1f6s h VAL 8 Ca -0.05 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 66.92 1f6s h VAL 8 Cb 1.15 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1f6s h VAL 8 CO 0.09 0.25 0.46 0.15 0.02 0.00 0.00 177.57 178.55 1f6s h PHE 9 N 0.90 0.86 -0.07 1.57 3.57 -1.30 -1.53 116.94 120.94 1f6s h PHE 9 Ca 0.22 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1f6s h PHE 9 Cb 0.11 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1f6s h PHE 9 CO 0.01 0.44 -0.22 0.00 -2.23 0.00 0.00 178.31 176.31 1f6s h ARG 10 N 0.86 0.27 0.00 1.11 3.08 -1.10 -3.28 114.38 115.31 1f6s h ARG 10 Ca 0.33 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1f6s h ARG 10 Cb 0.14 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1f6s h ARG 10 CO -0.16 0.83 0.00 0.39 -1.07 0.00 0.00 179.97 179.96 1f6s n GLU 11 N -4.52 0.17 -0.64 0.04 1.02 -0.25 -2.50 120.64 113.95 1f6s n GLU 11 Ca -0.08 0.44 0.08 0.00 -0.02 0.00 0.00 57.16 57.58 1f6s n GLU 11 Cb 0.44 -1.85 0.34 0.00 -0.02 0.00 0.00 31.44 30.35 1f6s n GLU 11 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1f6s n LEU 12 N -2.17 4.76 -0.31 -4.62 4.77 -0.60 -4.70 117.00 114.13 1f6s n LEU 12 Ca 0.02 -2.71 0.05 0.00 -0.03 0.00 0.00 56.01 53.34 1f6s n LEU 12 Cb 0.19 -0.58 0.14 0.00 -2.33 0.00 0.00 43.42 40.84 1f6s n LEU 12 CO 0.18 0.71 0.71 0.50 -1.33 0.00 0.00 177.39 178.15 1f6s h LYS 13 N 3.36 0.01 0.00 3.23 1.63 -1.59 -0.13 116.57 123.08 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 1.58 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.21 1f6s h LYS 13 CO 0.30 0.01 0.00 -0.25 -3.45 0.00 0.00 179.45 176.06 1f6s n ASP 14 N -5.55 0.00 -0.06 4.20 8.00 -1.26 -1.75 116.55 120.13 1f6s n ASP 14 Ca 0.14 -0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.66 1f6s n ASP 14 Cb 0.48 -0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1f6s n ASP 14 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1f6s n LEU 15 N -1.16 0.97 -4.54 0.64 4.77 -0.06 -4.83 117.00 112.79 1f6s n LEU 15 Ca 0.07 -0.38 -0.55 0.00 -0.03 0.00 0.00 56.01 55.12 1f6s n LEU 15 Cb 0.07 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1f6s n LEU 15 CO 0.08 0.23 1.58 1.17 -1.33 0.00 0.00 177.39 179.12 1f6s n LYS 16 N -1.31 1.01 0.00 3.23 4.81 -0.72 -1.49 118.16 123.70 1f6s n LYS 16 Ca 0.05 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1f6s n LYS 16 Cb 0.35 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 5.61 2.82 3.67 3.14 0.00 -0.44 -4.98 105.19 115.00 1f6s n GLY 17 Ca 0.36 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.89 1f6s n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f6s n TYR 18 N -1.21 2.16 -1.09 1.61 9.36 -0.55 -0.09 117.16 127.35 1f6s n TYR 18 Ca 0.00 0.25 -0.03 0.00 3.32 0.00 0.00 57.90 61.44 1f6s n TYR 18 Cb 0.00 -2.55 -0.01 0.00 -0.63 0.00 0.00 39.34 36.15 1f6s n TYR 18 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1f6s n GLY 19 N 3.79 0.53 2.03 2.98 0.00 -1.26 -2.68 105.19 110.58 1f6s n GLY 19 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.26 0.42 3.33 -0.02 0.00 0.87 -4.97 105.19 103.57 1f6s n GLY 20 Ca -0.03 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.05 3.43 0.73 1.61 1.01 -1.09 -4.97 120.40 119.06 1f6s s VAL 21 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1f6s s VAL 21 Cb 0.00 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.85 1f6s s VAL 21 CO 0.00 0.43 1.10 -0.94 0.00 0.00 0.00 175.10 175.69 1f6s s SER 22 N 1.39 5.21 0.19 3.32 1.04 -1.26 -1.33 113.70 122.26 1f6s s SER 22 Ca 0.05 1.15 -0.12 0.00 0.48 0.00 0.00 55.95 57.51 1f6s s SER 22 Cb -0.14 -1.92 0.11 0.00 0.10 0.00 0.00 66.02 64.16 1f6s s SER 22 CO -0.02 -1.49 1.85 -0.07 0.98 0.00 0.00 173.24 174.48 1f6s h LEU 23 N -0.76 0.75 -1.25 2.42 3.38 -1.95 -2.24 115.31 115.65 1f6s h LEU 23 Ca -0.45 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.55 1f6s h LEU 23 Cb 1.26 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1f6s h LEU 23 CO 0.63 0.56 0.54 -0.65 0.09 0.00 0.00 178.44 179.61 1f6s h PRO 24 N 0.87 0.86 -0.63 1.13 0.11 -1.93 -0.11 132.00 132.30 1f6s h PRO 24 Ca 0.23 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 1f6s h PRO 24 Cb -0.07 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.82 1f6s h PRO 24 CO -0.05 0.57 0.11 0.93 -0.21 0.00 0.00 178.00 179.35 1f6s h GLU 25 N 0.89 1.03 -0.27 1.05 5.08 -1.75 -2.10 114.58 118.51 1f6s h GLU 25 Ca 0.36 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1f6s h GLU 25 Cb 0.27 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1f6s h GLU 25 CO -0.13 0.96 -0.39 -1.49 -1.00 0.00 0.00 179.01 176.95 1f6s h TRP 26 N 0.94 0.91 -0.49 4.33 -0.00 -0.77 0.40 115.95 121.27 1f6s h TRP 26 Ca 0.19 -0.30 -0.01 0.00 -0.00 0.00 0.00 58.89 58.77 1f6s h TRP 26 Cb 0.42 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.38 1f6s h TRP 26 CO 0.03 1.08 0.27 0.28 -0.00 0.00 0.00 178.44 180.11 1f6s h VAL 27 N 0.48 1.17 -0.32 1.49 2.07 -1.04 0.11 116.25 120.21 1f6s h VAL 27 Ca 0.03 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1f6s h VAL 27 Cb 0.98 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1f6s h VAL 27 CO 0.09 0.18 0.08 0.00 0.02 0.00 0.00 177.57 177.94 1f6s h THR 29 N 0.35 1.10 -0.61 0.00 2.02 -0.60 -2.04 112.91 113.14 1f6s h THR 29 Ca 0.10 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1f6s h THR 29 Cb 0.29 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1f6s h THR 29 CO 0.00 0.09 0.17 0.71 0.37 0.00 0.00 175.52 176.85 1f6s h THR 30 N -0.03 1.24 -0.54 3.16 1.35 -0.79 0.17 112.91 117.46 1f6s h THR 30 Ca 0.02 -0.84 0.06 0.00 -0.55 0.00 0.00 66.41 65.11 1f6s h THR 30 Cb 0.11 0.59 -0.05 0.00 -1.73 0.00 0.00 68.15 67.07 1f6s h THR 30 CO -0.00 0.32 0.25 0.15 -0.25 0.00 0.00 175.52 175.98 1f6s h PHE 31 N 0.90 0.44 -0.01 4.73 3.57 -0.98 -0.51 116.94 125.08 1f6s h PHE 31 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1f6s h PHE 31 Cb 0.29 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1f6s h PHE 31 CO 0.02 0.18 -0.00 0.72 -2.23 0.00 0.00 178.31 177.00 1f6s n HIS 32 N -4.93 0.00 -0.12 0.41 8.25 -0.79 -1.30 115.22 116.76 1f6s n HIS 32 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.29 1f6s n HIS 32 Cb 0.19 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.52 1.28 -0.36 1.59 -1.04 -0.01 -4.81 114.28 110.41 1f6s n THR 33 Ca 0.22 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1f6s n THR 33 Cb 0.21 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 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 -3.85 0.64 -1.28 8.00 3.41 -0.31 -4.93 113.62 115.30 1f6s n SER 34 Ca -0.45 -1.00 -0.13 0.00 -0.26 0.00 0.00 58.87 57.03 1f6s n SER 34 Cb 0.85 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.78 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 -0.00 0.33 2.51 5.00 0.00 -0.42 -2.23 105.19 110.38 1f6s n GLY 35 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.57 0.00 -3.17 1.61 0.53 -1.24 -4.81 117.16 106.51 1f6s n TYR 36 Ca -0.14 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.33 1f6s n TYR 36 Cb 0.55 -1.65 -0.07 0.00 -1.03 0.00 0.00 39.34 37.14 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 -2.35 6.46 0.02 7.72 -1.08 -0.94 -1.45 116.67 125.05 1f6s s ASP 37 Ca 0.00 0.42 0.22 0.00 -0.52 0.00 0.00 52.55 52.67 1f6s s ASP 37 Cb 0.00 -2.31 0.92 0.00 -1.46 0.00 0.00 42.92 40.07 1f6s s ASP 37 CO 0.00 -0.41 1.70 0.35 0.52 0.00 0.00 175.17 177.32 1f6s n THR 38 N 5.31 0.53 -1.19 1.71 -2.24 0.27 -2.76 114.28 115.91 1f6s n THR 38 Ca -0.02 0.12 0.04 0.00 -2.27 0.00 0.00 64.05 61.91 1f6s n THR 38 Cb 0.49 -0.76 0.22 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.56 2.28 -2.19 -0.78 6.02 -1.26 -3.85 117.38 116.05 1f6s n GLN 39 Ca 0.05 -2.95 -0.41 0.00 -0.01 0.00 0.00 57.00 53.68 1f6s n GLN 39 Cb 0.26 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.70 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 -3.01 3.48 -0.07 -1.58 0.00 -1.11 -4.82 121.76 114.65 1f6s s ALA 40 Ca 0.42 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.54 1f6s s ALA 40 Cb 0.36 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 20.07 1f6s s ALA 40 CO 0.04 -0.54 0.09 0.42 0.00 0.00 0.00 175.76 175.77 1f6s s ILE 41 N -1.07 -0.15 -0.20 0.00 1.01 -1.26 -1.06 121.20 118.46 1f6s s ILE 41 Ca 0.48 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.47 1f6s s ILE 41 Cb -0.38 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 41.86 1f6s s ILE 41 CO 0.50 0.10 -0.17 -0.69 0.00 0.00 0.00 174.94 174.68 1f6s s VAL 42 N 2.20 2.07 0.11 2.92 1.01 -1.02 -4.98 120.40 122.71 1f6s s VAL 42 Ca 0.04 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1f6s s VAL 42 Cb -0.13 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1f6s s VAL 42 CO -0.05 0.37 -0.06 -1.58 0.00 0.00 0.00 175.10 173.79 1f6s s GLN 43 N 1.24 0.89 0.00 2.72 0.74 -1.26 -0.38 119.66 123.62 1f6s s GLN 43 Ca 0.01 -1.37 0.00 0.00 0.05 0.00 0.00 55.36 54.05 1f6s s GLN 43 Cb -0.15 -0.24 0.00 0.00 1.10 0.00 0.00 33.01 33.72 1f6s s GLN 43 CO -0.11 -0.03 0.00 0.27 -0.55 0.00 0.00 175.29 174.87 1f6s n ASN 44 N -0.08 0.00 0.23 6.67 2.04 -0.84 -5.02 115.26 118.26 1f6s n ASN 44 Ca -0.11 -0.90 0.10 0.00 -0.44 0.00 0.00 54.58 53.23 1f6s n ASN 44 Cb 0.61 0.00 0.55 0.00 -2.53 0.00 0.00 39.78 38.41 1f6s n ASN 44 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 1f6s h ASN 45 N 0.00 0.00 0.00 0.53 -0.26 -2.05 -3.34 115.58 110.45 1f6s h ASN 45 Ca 0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.57 1f6s h ASN 45 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1f6s h ASN 45 CO 0.00 0.21 -0.99 0.44 -1.06 0.00 0.00 177.43 176.03 1f6s h ASP 46 N 0.00 0.00 -5.54 5.81 3.32 -2.01 -3.50 116.42 114.50 1f6s h ASP 46 Ca -0.00 -0.47 -0.22 0.00 0.02 0.00 0.00 57.03 56.36 1f6s h ASP 46 Cb 0.59 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.01 1f6s h ASP 46 CO 0.03 1.31 -0.48 -0.94 -1.72 0.00 0.00 179.24 177.43 1f6s s SER 47 N -6.59 0.26 -0.01 6.45 1.04 -1.26 -4.98 113.70 108.61 1f6s s SER 47 Ca -0.25 -1.32 0.02 0.00 0.48 0.00 0.00 55.95 54.87 1f6s s SER 47 Cb 0.04 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1f6s s SER 47 CO 0.53 -0.95 -0.05 -0.89 0.98 0.00 0.00 173.24 172.87 1f6s s THR 48 N -4.02 0.44 -0.08 2.02 2.01 -1.26 -2.00 115.64 112.76 1f6s s THR 48 Ca 0.35 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1f6s s THR 48 Cb 0.05 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1f6s s THR 48 CO 0.13 0.15 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.49 1f6s s GLU 49 N 0.17 2.82 0.03 4.92 2.02 0.49 -1.46 118.70 127.68 1f6s s GLU 49 Ca -0.02 -0.64 0.08 0.00 0.02 0.00 0.00 54.97 54.42 1f6s s GLU 49 Cb -0.06 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 1f6s s GLU 49 CO -0.00 0.53 -0.24 0.71 0.02 0.00 0.00 175.26 176.28 1f6s s TYR 50 N -0.48 2.38 0.00 1.61 2.02 0.54 -2.44 117.35 120.99 1f6s s TYR 50 Ca 0.06 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1f6s s TYR 50 Cb -0.12 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 1f6s s TYR 50 CO 0.02 0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.53 1f6s n GLY 51 N 1.89 -0.51 0.34 0.71 0.00 -0.22 -1.48 105.19 105.92 1f6s n GLY 51 Ca -0.17 -0.99 0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 0.67 -1.50 0.99 5.85 -1.65 -0.06 115.31 119.62 1f6s h LEU 52 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1f6s h LEU 52 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1f6s h LEU 52 CO 0.00 0.13 -0.10 0.49 -0.34 0.00 0.00 178.44 178.61 1f6s n PHE 53 N -4.88 0.00 -3.76 1.25 3.72 -1.26 -4.18 117.46 108.36 1f6s n PHE 53 Ca 0.26 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.39 1f6s n PHE 53 Cb 0.71 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.27 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 0.76 -2.70 -2.60 -1.08 1.13 -0.04 -4.93 117.38 107.92 1f6s n GLN 54 Ca 0.14 0.49 -0.41 0.00 -1.94 0.00 0.00 57.00 55.27 1f6s n GLN 54 Cb 0.52 -4.53 -0.04 0.00 0.11 0.00 0.00 30.24 26.30 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 -3.66 4.33 0.40 5.09 1.01 -0.73 -4.35 121.20 123.28 1f6s s ILE 55 Ca 0.22 1.82 -0.08 0.00 0.00 0.00 0.00 60.65 62.61 1f6s s ILE 55 Cb -0.08 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1f6s s ILE 55 CO 0.86 0.23 0.74 0.54 0.00 0.00 0.00 174.94 177.30 1f6s s ASN 56 N 0.44 6.45 -0.13 3.58 2.20 -1.26 -0.34 114.94 125.88 1f6s s ASN 56 Ca 0.51 1.02 0.08 0.00 -0.94 0.00 0.00 52.86 53.54 1f6s s ASN 56 Cb -0.26 -2.28 0.48 0.00 -2.00 0.00 0.00 41.25 37.19 1f6s s ASN 56 CO 0.31 -0.41 1.23 -0.46 -2.94 0.00 0.00 177.10 174.83 1f6s n ASN 57 N -1.46 3.70 -0.07 3.54 6.94 -0.54 -3.14 115.26 124.23 1f6s n ASN 57 Ca 0.01 -2.51 -0.15 0.00 -0.02 0.00 0.00 54.58 51.91 1f6s n ASN 57 Cb 0.54 -0.59 -0.14 0.00 -2.36 0.00 0.00 39.78 37.23 1f6s n ASN 57 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1f6s n LYS 58 N 0.39 0.68 0.00 -3.83 4.81 -1.26 -4.70 118.16 114.25 1f6s n LYS 58 Ca 0.16 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1f6s n LYS 58 Cb 0.78 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 34.21 1f6s n LYS 58 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1f6s n ILE 59 N -3.14 0.00 -0.07 3.15 2.08 -1.26 -3.81 119.36 116.32 1f6s n ILE 59 Ca -0.33 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 62.84 1f6s n ILE 59 Cb 1.06 -0.48 -0.14 0.00 -0.75 0.00 0.00 39.64 39.33 1f6s n ILE 59 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1f6s n TRP 60 N -1.37 0.43 -4.15 1.39 7.02 -1.19 -1.29 117.44 118.28 1f6s n TRP 60 Ca 0.00 0.12 -0.12 0.00 -1.02 0.00 0.00 57.50 56.48 1f6s n TRP 60 Cb 0.26 -1.07 -0.11 0.00 -2.42 0.00 0.00 31.31 27.98 1f6s n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1f6s s LYS 62 N -3.03 3.79 0.09 0.00 2.20 -0.67 -4.49 119.74 117.63 1f6s s LYS 62 Ca 0.05 0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.79 1f6s s LYS 62 Cb -0.01 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1f6s s LYS 62 CO -0.02 0.64 0.13 -0.40 -0.36 0.00 0.00 175.35 175.34 1f6s n ASP 63 N 2.21 -0.36 -0.06 1.43 5.75 -1.25 -0.93 116.55 123.34 1f6s n ASP 63 Ca -0.16 -1.50 -0.14 0.00 -0.01 0.00 0.00 54.79 52.99 1f6s n ASP 63 Cb 0.53 0.67 -0.06 0.00 -1.03 0.00 0.00 41.12 41.23 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 0.52 0.58 -0.73 -1.12 5.19 -1.98 -2.91 116.42 115.97 1f6s h ASP 64 Ca -0.07 -0.52 0.07 0.00 -0.62 0.00 0.00 57.03 55.90 1f6s h ASP 64 Cb 0.31 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.61 1f6s h ASP 64 CO 0.10 0.98 0.48 -0.61 -3.12 0.00 0.00 179.24 177.07 1f6s h GLN 65 N 0.19 0.70 -2.46 3.56 4.15 -1.97 -3.31 115.11 115.97 1f6s h GLN 65 Ca 0.02 -0.04 -0.59 0.00 0.77 0.00 0.00 58.65 58.80 1f6s h GLN 65 Cb 0.86 -0.16 -0.39 0.00 0.21 0.00 0.00 27.48 28.00 1f6s h GLN 65 CO 0.07 0.46 -0.92 1.21 -1.93 0.00 0.00 178.83 177.72 1f6s s ASN 66 N -6.17 1.88 0.37 -0.69 3.04 -1.23 -5.00 114.94 107.13 1f6s s ASN 66 Ca -0.10 -3.14 0.10 0.00 0.04 0.00 0.00 52.86 49.76 1f6s s ASN 66 Cb 0.20 -0.58 0.85 0.00 -1.54 0.00 0.00 41.25 40.17 1f6s s ASN 66 CO 0.77 -0.16 1.89 -0.65 -3.04 0.00 0.00 177.10 175.91 1f6s h PRO 67 N 5.65 0.64 -1.00 0.43 0.11 -1.61 -2.74 132.00 133.47 1f6s h PRO 67 Ca 0.25 -0.04 -0.45 0.00 0.11 0.00 0.00 66.00 65.87 1f6s h PRO 67 Cb 0.89 -0.14 -0.27 0.00 0.11 0.00 0.00 31.00 31.59 1f6s h PRO 67 CO 0.41 0.42 0.57 0.72 -0.21 0.00 0.00 178.00 179.91 1f6s n HIS 68 N -4.53 2.65 -1.43 0.65 8.25 -1.26 -4.78 115.22 114.76 1f6s n HIS 68 Ca 0.16 -1.67 -0.36 0.00 -0.26 0.00 0.00 57.72 55.59 1f6s n HIS 68 Cb 0.44 -0.85 0.09 0.00 1.12 0.00 0.00 29.99 30.79 1f6s n HIS 68 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f6s n SER 69 N -0.91 1.26 0.27 0.41 2.88 -1.03 -4.83 113.62 111.67 1f6s n SER 69 Ca 0.52 0.71 0.14 0.00 -1.33 0.00 0.00 58.87 58.91 1f6s n SER 69 Cb 1.51 -1.49 0.86 0.00 -0.75 0.00 0.00 64.21 64.33 1f6s n SER 69 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1f6s h SER 70 N -0.12 0.00 -6.65 -3.46 0.02 -1.74 -3.46 113.55 98.14 1f6s h SER 70 Ca -0.48 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.93 1f6s h SER 70 Cb 1.33 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.74 1f6s h SER 70 CO 0.49 0.00 -0.88 -3.20 -1.14 0.00 0.00 176.83 172.10 1f6s n ASN 71 N -3.95 -1.16 -0.33 3.07 5.15 -0.98 -4.81 115.26 112.25 1f6s n ASN 71 Ca -0.02 -1.04 0.13 0.00 -0.60 0.00 0.00 54.58 53.05 1f6s n ASN 71 Cb 0.13 -2.78 0.32 0.00 -0.53 0.00 0.00 39.78 36.92 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 -1.72 0.58 -3.30 -1.44 2.04 -1.19 -3.07 117.51 109.42 1f6s h ILE 72 Ca -0.62 -0.19 -0.59 0.00 1.00 0.00 0.00 64.86 64.45 1f6s h ILE 72 Cb 1.38 -0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 1f6s h ILE 72 CO 0.69 0.10 0.44 0.00 0.00 0.00 0.00 178.15 179.38 1f6s n ASN 74 N 5.91 4.87 -3.55 0.00 4.05 -1.16 -4.40 115.26 120.98 1f6s n ASN 74 Ca 0.05 -2.92 -0.11 0.00 0.45 0.00 0.00 54.58 52.05 1f6s n ASN 74 Cb 0.48 -1.73 -0.03 0.00 1.23 0.00 0.00 39.78 39.73 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 4.00 0.01 0.04 -1.44 2.07 -1.26 -5.09 121.20 119.53 1f6s s ILE 75 Ca 0.53 -0.32 -0.25 0.00 -1.41 0.00 0.00 60.65 59.19 1f6s s ILE 75 Cb 0.04 -1.24 -0.05 0.00 0.13 0.00 0.00 42.46 41.34 1f6s s ILE 75 CO 0.06 -0.06 0.78 -0.55 -1.91 0.00 0.00 174.94 173.27 1f6s s SER 76 N -2.80 7.23 0.57 4.50 0.15 -1.26 -1.67 113.70 120.41 1f6s s SER 76 Ca 0.04 1.47 0.28 0.00 0.70 0.00 0.00 55.95 58.43 1f6s s SER 76 Cb -0.01 -2.48 1.49 0.00 -1.71 0.00 0.00 66.02 63.31 1f6s s SER 76 CO -0.09 -0.01 1.97 0.00 1.20 0.00 0.00 173.24 176.31 1f6s h ASP 78 N 0.00 0.30 0.30 0.00 3.45 -1.92 -1.47 116.42 117.08 1f6s h ASP 78 Ca 0.22 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.69 1f6s h ASP 78 Cb 1.02 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1f6s h ASP 78 CO -0.00 0.15 0.00 0.29 -1.57 0.00 0.00 179.24 178.11 1f6s n LYS 79 N -4.45 0.08 -0.18 3.56 4.76 -0.63 -1.94 118.16 119.35 1f6s n LYS 79 Ca 0.14 0.25 0.11 0.00 -2.87 0.00 0.00 58.31 55.94 1f6s n LYS 79 Cb 0.58 -1.50 0.26 0.00 -1.84 0.00 0.00 35.03 32.53 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 -1.40 0.47 0.17 2.13 0.99 -0.55 -4.09 117.46 115.19 1f6s n PHE 80 Ca 0.04 -0.23 0.05 0.00 -0.00 0.00 0.00 57.45 57.31 1f6s n PHE 80 Cb 0.11 0.00 0.09 0.00 -1.00 0.00 0.00 39.48 38.68 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 1.16 2.29 0.00 4.37 4.77 -0.82 -3.55 117.00 125.22 1f6s n LEU 81 Ca 0.19 -1.43 -0.02 0.00 -0.03 0.00 0.00 56.01 54.72 1f6s n LEU 81 Cb 0.52 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1f6s n LEU 81 CO 0.15 0.51 0.03 -0.90 -1.33 0.00 0.00 177.39 175.85 1f6s n ASP 82 N 0.52 0.28 -0.56 -1.43 5.68 -1.26 -4.57 116.55 115.20 1f6s n ASP 82 Ca 0.08 -1.14 0.13 0.00 -0.50 0.00 0.00 54.79 53.36 1f6s n ASP 82 Cb 0.33 -0.04 0.34 0.00 -1.14 0.00 0.00 41.12 40.61 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 -2.85 1.85 -4.43 -1.12 8.00 -1.26 -4.78 116.55 111.95 1f6s n ASP 83 Ca 0.01 -1.52 -0.44 0.00 0.71 0.00 0.00 54.79 53.55 1f6s n ASP 83 Cb 0.05 0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.13 6.19 0.00 -2.24 -1.08 -1.26 -4.93 116.67 111.23 1f6s s ASP 84 Ca 0.31 -1.02 0.28 0.00 -0.52 0.00 0.00 52.55 51.61 1f6s s ASP 84 Cb 0.20 -2.24 1.49 0.00 -1.46 0.00 0.00 42.92 40.91 1f6s s ASP 84 CO 0.38 -0.76 1.98 0.18 0.52 0.00 0.00 175.17 177.47 1f6s n LEU 85 N 5.74 0.51 -0.24 -1.34 4.77 -1.26 -4.19 117.00 120.99 1f6s n LEU 85 Ca -0.09 -0.18 -0.03 0.00 -0.03 0.00 0.00 56.01 55.68 1f6s n LEU 85 Cb 0.45 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1f6s n LEU 85 CO 0.50 0.09 1.13 0.71 -1.33 0.00 0.00 177.39 178.50 1f6s h THR 86 N 0.77 1.09 0.03 -5.08 1.35 -1.93 -0.26 112.91 108.88 1f6s h THR 86 Ca 0.00 -0.28 -0.22 0.00 -0.55 0.00 0.00 66.41 65.35 1f6s h THR 86 Cb 0.17 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 66.77 1f6s h THR 86 CO 0.00 0.15 -0.98 -2.24 -0.25 0.00 0.00 175.52 172.20 1f6s h ASP 87 N 0.83 0.37 -0.50 5.36 3.04 -1.93 -2.47 116.42 121.12 1f6s h ASP 87 Ca 0.27 -0.32 0.04 0.00 -3.24 0.00 0.00 57.03 53.78 1f6s h ASP 87 Cb 0.03 -0.12 -0.04 0.00 -1.04 0.00 0.00 39.33 38.16 1f6s h ASP 87 CO -0.11 1.15 0.26 0.44 -2.04 0.00 0.00 179.24 178.95 1f6s h ASP 88 N 0.14 0.39 -0.66 4.15 5.19 -1.72 -1.58 116.42 122.34 1f6s h ASP 88 Ca -0.07 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 1f6s h ASP 88 Cb 1.63 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 41.06 1f6s h ASP 88 CO 0.16 0.27 0.23 0.40 -3.12 0.00 0.00 179.24 177.18 1f6s h ILE 89 N 0.52 1.24 -0.64 0.35 2.04 -1.03 0.41 117.51 120.41 1f6s h ILE 89 Ca 0.22 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1f6s h ILE 89 Cb 0.11 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1f6s h ILE 89 CO -0.14 0.32 0.40 0.24 0.00 0.00 0.00 178.15 178.97 1f6s h MET 90 N 1.00 0.85 -0.13 2.37 2.86 -0.90 -1.05 114.93 119.94 1f6s h MET 90 Ca 0.22 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.67 1f6s h MET 90 Cb 0.25 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1f6s h MET 90 CO -0.01 0.59 -0.50 0.00 1.06 0.00 0.00 176.91 178.04 1f6s h VAL 92 N 0.27 1.22 -0.81 0.00 2.07 -0.34 -2.09 116.25 116.57 1f6s h VAL 92 Ca 0.01 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 66.89 1f6s h VAL 92 Cb 0.98 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1f6s h VAL 92 CO 0.08 0.26 0.53 0.11 0.02 0.00 0.00 177.57 178.57 1f6s h LYS 93 N 0.58 0.82 -0.32 1.57 1.57 -1.09 -0.81 116.57 118.88 1f6s h LYS 93 Ca 0.14 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1f6s h LYS 93 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1f6s h LYS 93 CO -0.01 0.54 -0.08 0.87 -0.57 0.00 0.00 179.45 180.21 1f6s h LYS 94 N 0.84 0.62 -0.82 3.15 1.57 -1.31 -1.98 116.57 118.64 1f6s h LYS 94 Ca 0.35 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1f6s h LYS 94 Cb 0.29 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1f6s h LYS 94 CO -0.13 0.80 0.54 0.82 -0.57 0.00 0.00 179.45 180.91 1f6s h ILE 95 N 0.39 1.21 -0.31 1.86 2.04 -0.65 -0.98 117.51 121.07 1f6s h ILE 95 Ca 0.08 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1f6s h ILE 95 Cb 0.57 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1f6s h ILE 95 CO 0.03 0.20 0.00 -0.07 0.00 0.00 0.00 178.15 178.31 1f6s h LEU 96 N 1.10 0.53 -1.03 1.44 3.38 -0.99 0.33 115.31 120.07 1f6s h LEU 96 Ca 0.30 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1f6s h LEU 96 Cb -0.12 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1f6s h LEU 96 CO -0.07 0.71 0.32 0.44 0.09 0.00 0.00 178.44 179.94 1f6s h ASP 97 N 0.34 0.92 0.00 -0.43 3.32 -0.83 -1.19 116.42 118.54 1f6s h ASP 97 Ca 0.09 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1f6s h ASP 97 Cb 0.44 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1f6s h ASP 97 CO 0.02 0.79 -0.42 0.11 -1.72 0.00 0.00 179.24 178.02 1f6s h LYS 98 N 1.00 0.00 0.00 3.56 1.79 -1.04 -3.43 116.57 118.45 1f6s h LYS 98 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1f6s h LYS 98 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1f6s h LYS 98 CO -0.03 0.74 -0.68 0.28 -1.08 0.00 0.00 179.45 178.68 1f6s n VAL 99 N -4.59 0.00 0.00 0.50 0.31 0.11 -5.09 118.33 109.57 1f6s n VAL 99 Ca -0.15 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1f6s n VAL 99 Cb 0.44 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 34.15 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 1.46 -0.84 0.34 2.92 0.00 -0.45 -4.46 105.19 104.16 1f6s n GLY 100 Ca 0.01 -1.68 0.18 0.00 0.00 0.00 0.00 46.02 44.52 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 0.35 0.00 -0.61 6.09 -1.89 -2.73 117.51 118.72 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 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.12 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 -3.60 0.00 0.19 2.19 5.03 -1.26 -1.87 115.26 115.94 1f6s n ASN 102 Ca 0.01 -0.44 0.03 0.00 0.87 0.00 0.00 54.58 55.05 1f6s n ASN 102 Cb 0.31 0.00 0.40 0.00 -1.02 0.00 0.00 39.78 39.46 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 0.00 -3.33 3.10 3.20 -1.74 -3.34 116.97 114.86 1f6s h TYR 103 Ca 0.00 0.00 -0.76 0.00 3.14 0.00 0.00 58.73 61.11 1f6s h TYR 103 Cb 0.00 0.00 -0.23 0.00 1.54 0.00 0.00 36.73 38.04 1f6s h TYR 103 CO 0.00 0.33 0.11 -1.58 -1.64 0.00 0.00 178.16 175.38 1f6s s TRP 104 N -4.25 3.44 0.61 -3.82 0.51 -0.78 -4.92 118.94 109.72 1f6s s TRP 104 Ca -0.03 -1.58 0.31 0.00 -2.12 0.00 0.00 56.10 52.68 1f6s s TRP 104 Cb 0.14 -3.90 1.71 0.00 -0.81 0.00 0.00 33.47 30.62 1f6s s TRP 104 CO 0.71 -1.11 2.07 -0.07 -0.51 0.00 0.00 176.95 178.05 1f6s h LEU 105 N 8.72 0.00 -1.20 2.99 3.38 -1.84 -0.83 115.31 126.54 1f6s h LEU 105 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1f6s h LEU 105 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1f6s h LEU 105 CO 0.92 0.00 -0.37 0.00 0.09 0.00 0.00 178.44 179.08 1f6s h ALA 106 N 1.67 1.21 0.23 1.53 0.00 -1.91 -3.14 119.26 118.84 1f6s h ALA 106 Ca 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1f6s h ALA 106 Cb 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1f6s h ALA 106 CO -0.00 0.46 -0.17 1.25 0.00 0.00 0.00 179.25 180.79 1f6s h HIS 107 N 0.00 -0.44 -0.31 0.00 -0.00 -1.47 0.59 115.15 113.52 1f6s h HIS 107 Ca -0.00 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.28 1f6s h HIS 107 Cb 0.73 0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 1f6s h HIS 107 CO 0.00 -0.26 -0.13 -0.22 -0.00 0.00 0.00 177.93 177.32 1f6s h LYS 108 N -0.40 0.63 0.00 5.26 3.64 -1.73 -0.50 116.57 123.47 1f6s h LYS 108 Ca -0.01 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 58.96 1f6s h LYS 108 Cb 0.35 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1f6s h LYS 108 CO -0.00 0.85 -0.64 0.00 -2.27 0.00 0.00 179.45 177.39 1f6s h ALA 109 N 0.77 0.90 0.00 5.00 0.00 -1.50 -3.39 119.26 121.03 1f6s h ALA 109 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1f6s h ALA 109 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1f6s h ALA 109 CO 0.04 0.80 0.00 1.28 0.00 0.00 0.00 179.25 181.37 1f6s n LEU 110 N -3.71 0.13 -2.41 0.00 4.77 0.19 -4.88 117.00 111.08 1f6s n LEU 110 Ca -0.01 -0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 55.64 1f6s n LEU 110 Cb 0.65 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.78 1f6s n LEU 110 CO 0.42 0.03 0.06 0.00 -1.33 0.00 0.00 177.39 176.57 1f6s n SER 112 N -0.54 1.93 0.00 0.00 7.64 -1.12 -4.83 113.62 116.69 1f6s n SER 112 Ca 0.17 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1f6s n SER 112 Cb 0.87 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -3.31 0.00 -0.63 1.43 0.28 -1.26 -4.89 120.64 112.26 1f6s n GLU 113 Ca -0.40 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.22 1f6s n GLU 113 Cb 1.02 -0.10 -0.08 0.00 1.43 0.00 0.00 31.44 33.71 1f6s n GLU 113 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1f6s n LYS 114 N -1.98 0.52 -0.03 3.44 4.81 -1.26 -4.65 118.16 119.00 1f6s n LYS 114 Ca 0.00 -1.19 0.13 0.00 -0.87 0.00 0.00 58.31 56.37 1f6s n LYS 114 Cb 0.00 -2.55 0.46 0.00 0.02 0.00 0.00 35.03 32.95 1f6s n LYS 114 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1f6s n LEU 115 N 7.86 1.61 0.23 3.14 4.77 -1.26 -4.10 117.00 129.25 1f6s n LEU 115 Ca 0.42 -0.60 0.16 0.00 -0.03 0.00 0.00 56.01 55.96 1f6s n LEU 115 Cb 0.35 -0.05 0.69 0.00 -2.33 0.00 0.00 43.42 42.09 1f6s n LEU 115 CO 1.05 0.30 0.96 -2.24 -1.33 0.00 0.00 177.39 176.13 1f6s h ASP 116 N 2.36 0.00 0.71 -1.43 2.03 -1.99 -2.34 116.42 115.76 1f6s h ASP 116 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1f6s h ASP 116 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 1f6s h ASP 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1f6s n GLN 117 N -2.73 0.01 -0.19 4.15 6.02 -1.26 -3.69 117.38 119.68 1f6s n GLN 117 Ca 0.00 0.16 0.09 0.00 -0.01 0.00 0.00 57.00 57.24 1f6s n GLN 117 Cb 0.22 -1.51 0.17 0.00 1.02 0.00 0.00 30.24 30.14 1f6s n GLN 117 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1f6s n TRP 118 N -1.53 0.23 -3.50 1.08 7.02 -0.88 -5.03 117.44 114.83 1f6s n TRP 118 Ca 0.05 -1.01 -0.37 0.00 -1.02 0.00 0.00 57.50 55.15 1f6s n TRP 118 Cb 0.24 -0.20 -0.06 0.00 -2.42 0.00 0.00 31.31 28.87 1f6s n TRP 118 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1f6s s LEU 119 N -2.90 4.42 -0.23 -0.99 2.96 -1.24 -4.54 118.68 116.17 1f6s s LEU 119 Ca 0.35 0.93 0.15 0.00 -0.22 0.00 0.00 54.13 55.34 1f6s s LEU 119 Cb 0.30 -2.80 0.46 0.00 0.50 0.00 0.00 46.19 44.66 1f6s s LEU 119 CO 0.04 0.25 1.17 0.00 -1.32 0.00 0.00 176.35 176.49 1f6s n GLU 121 N -0.59 0.00 -0.05 0.00 0.28 -1.26 -5.08 120.64 113.94 1f6s n GLU 121 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1f6s n GLU 121 Cb 0.89 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.76 1f6s n GLU 121 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33