#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5k h LYS 10 N 0.00 0.00 -6.37 0.54 3.64 -2.01 -3.44 116.57 108.93 2f5k h LYS 10 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 2f5k h LYS 10 Cb 0.00 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 31.64 2f5k h LYS 10 CO 0.00 0.53 -0.81 -0.06 -2.27 0.00 0.00 179.45 176.84 2f5k s PHE 11 N -3.75 2.13 0.13 1.91 0.40 -1.26 -5.10 117.98 112.44 2f5k s PHE 11 Ca -0.02 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.00 2f5k s PHE 11 Cb 0.13 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 2f5k s PHE 11 CO 0.74 0.44 -0.19 1.14 0.70 0.00 0.00 175.22 178.06 2f5k s GLN 12 N -2.71 1.17 0.24 0.44 -2.07 -1.26 -5.01 119.66 110.45 2f5k s GLN 12 Ca 0.19 -1.26 -0.30 0.00 -1.82 0.00 0.00 55.36 52.17 2f5k s GLN 12 Cb -0.07 -1.33 -0.15 0.00 -1.09 0.00 0.00 33.01 30.37 2f5k s GLN 12 CO 0.09 0.29 0.97 0.39 -1.32 0.00 0.00 175.29 175.70 2f5k n GLU 13 N 0.74 1.04 -0.36 9.60 1.02 -1.26 -0.89 120.64 130.53 2f5k n GLU 13 Ca -0.17 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2f5k n GLU 13 Cb 0.55 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2f5k n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f5k n GLY 14 N 1.58 1.99 3.70 0.62 0.00 0.37 -5.00 105.19 108.45 2f5k n GLY 14 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2f5k n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f5k s GLU 15 N -0.10 4.34 0.06 1.61 2.12 -0.07 -4.81 118.70 121.85 2f5k s GLU 15 Ca 0.00 1.84 -0.31 0.00 0.36 0.00 0.00 54.97 56.86 2f5k s GLU 15 Cb 0.00 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 2f5k s GLU 15 CO 0.00 -0.44 1.34 0.50 -0.54 0.00 0.00 175.26 176.12 2f5k s ARG 16 N 1.88 4.34 0.31 4.30 3.52 -1.26 -2.02 118.95 130.01 2f5k s ARG 16 Ca 0.60 1.95 0.03 0.00 -0.13 0.00 0.00 55.73 58.18 2f5k s ARG 16 Cb -0.29 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.66 2f5k s ARG 16 CO 0.26 -0.44 0.11 0.08 -0.81 0.00 0.00 175.30 174.51 2f5k s VAL 17 N 1.55 0.61 -0.09 7.11 1.01 0.14 -4.29 120.40 126.44 2f5k s VAL 17 Ca 0.63 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.63 2f5k s VAL 17 Cb -0.33 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 2f5k s VAL 17 CO 0.28 0.00 -0.16 -0.76 0.00 0.00 0.00 175.10 174.47 2f5k s LEU 18 N -3.41 2.62 -0.01 3.92 1.43 -0.68 -0.38 118.68 122.17 2f5k s LEU 18 Ca 0.35 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 2f5k s LEU 18 Cb 0.06 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 2f5k s LEU 18 CO 0.15 0.25 -0.10 0.00 0.23 0.00 0.00 176.35 176.88 2f5k s PHE 20 N -0.13 3.67 -0.22 0.00 0.40 0.36 0.36 117.98 122.41 2f5k s PHE 20 Ca 0.02 1.76 -0.03 0.00 -0.60 0.00 0.00 56.93 58.08 2f5k s PHE 20 Cb -0.05 -3.16 0.11 0.00 0.51 0.00 0.00 43.02 40.43 2f5k s PHE 20 CO -0.00 -0.22 0.25 -1.58 0.70 0.00 0.00 175.22 174.37 2f5k s HIS 21 N -1.25 -0.38 0.00 0.36 2.46 -0.09 -4.93 115.29 111.46 2f5k s HIS 21 Ca 0.45 0.23 0.00 0.00 0.47 0.00 0.00 55.06 56.21 2f5k s HIS 21 Cb -0.28 -0.33 0.00 0.00 -0.13 0.00 0.00 32.58 31.84 2f5k s HIS 21 CO 0.36 -0.68 0.00 0.41 -2.47 0.00 0.00 174.74 172.36 2f5k n GLY 22 N 5.32 2.50 1.47 1.59 0.00 -1.26 -2.53 105.19 112.29 2f5k n GLY 22 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2f5k n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f5k n PRO 23 N 13.60 3.09 -4.21 1.61 -0.04 -1.26 -4.94 135.00 142.85 2f5k n PRO 23 Ca 0.00 -1.97 -0.13 0.00 -0.04 0.00 0.00 63.50 61.36 2f5k n PRO 23 Cb 0.00 -1.93 -0.10 0.00 -0.04 0.00 0.00 33.50 31.43 2f5k n PRO 23 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2f5k s LEU 24 N -1.82 2.49 -0.18 1.53 1.43 -1.05 -4.86 118.68 116.23 2f5k s LEU 24 Ca 0.35 -0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 2f5k s LEU 24 Cb 0.27 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 46.20 2f5k s LEU 24 CO 0.09 -0.35 0.01 -0.76 0.23 0.00 0.00 176.35 175.58 2f5k s LEU 25 N -2.94 3.47 -0.03 1.79 1.43 -1.26 -0.91 118.68 120.22 2f5k s LEU 25 Ca 0.12 -0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 2f5k s LEU 25 Cb 0.02 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2f5k s LEU 25 CO -0.01 0.14 -0.24 -0.31 0.23 0.00 0.00 176.35 176.16 2f5k s TYR 26 N 0.53 2.24 0.34 0.29 1.51 0.16 -4.87 117.35 117.55 2f5k s TYR 26 Ca -0.00 -0.52 -0.28 0.00 -1.01 0.00 0.00 57.07 55.26 2f5k s TYR 26 Cb -0.14 -1.45 -0.12 0.00 -0.11 0.00 0.00 41.96 40.14 2f5k s TYR 26 CO 0.02 -0.10 1.36 -1.91 -1.11 0.00 0.00 175.55 173.81 2f5k n GLU 27 N 2.67 2.28 -2.67 -0.62 2.13 -1.26 0.54 120.64 123.71 2f5k n GLU 27 Ca -0.16 0.80 -0.05 0.00 0.66 0.00 0.00 57.16 58.40 2f5k n GLU 27 Cb 0.52 -2.43 0.02 0.00 0.27 0.00 0.00 31.44 29.81 2f5k n GLU 27 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2f5k n ALA 28 N 0.55 -1.04 -3.00 4.31 0.00 0.49 -2.54 120.51 119.28 2f5k n ALA 28 Ca 0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 2f5k n ALA 28 Cb 0.36 0.61 -0.14 0.00 0.00 0.00 0.00 19.45 20.28 2f5k n ALA 28 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2f5k s LYS 29 N -2.07 0.10 -0.69 0.00 3.01 -1.26 -0.68 119.74 118.15 2f5k s LYS 29 Ca 0.10 -0.01 -0.20 0.00 -1.01 0.00 0.00 55.97 54.84 2f5k s LYS 29 Cb -0.03 -0.14 0.10 0.00 -1.01 0.00 0.00 37.83 36.74 2f5k s LYS 29 CO 0.07 -0.00 0.91 0.00 0.51 0.00 0.00 175.35 176.83 2f5k h VAL 31 N 5.90 1.56 -3.50 0.00 2.07 -1.67 0.11 116.25 120.72 2f5k h VAL 31 Ca -0.20 -2.44 -0.27 0.00 0.82 0.00 0.00 66.70 64.61 2f5k h VAL 31 Cb 1.07 3.17 -0.32 0.00 -1.52 0.00 0.00 31.29 33.69 2f5k h VAL 31 CO 1.13 0.68 -0.69 -0.54 0.02 0.00 0.00 177.57 178.17 2f5k s LYS 32 N -2.49 0.01 -0.39 1.57 1.02 -1.24 -4.49 119.74 113.73 2f5k s LYS 32 Ca -0.15 0.19 -0.13 0.00 0.02 0.00 0.00 55.97 55.90 2f5k s LYS 32 Cb 0.00 -0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.16 2f5k s LYS 32 CO 0.80 -0.13 0.26 0.08 -0.92 0.00 0.00 175.35 175.44 2f5k s VAL 33 N 0.84 5.03 -0.12 3.17 1.01 -1.26 -1.02 120.40 128.05 2f5k s VAL 33 Ca -0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2f5k s VAL 33 Cb -0.10 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2f5k s VAL 33 CO -0.03 -0.26 -0.10 0.00 0.00 0.00 0.00 175.10 174.72 2f5k s ALA 34 N 1.64 2.76 -0.85 5.51 0.00 -0.73 -4.99 121.76 125.11 2f5k s ALA 34 Ca 0.04 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2f5k s ALA 34 Cb -0.19 -1.29 0.22 0.00 0.00 0.00 0.00 23.12 21.86 2f5k s ALA 34 CO 0.09 0.30 0.78 0.42 0.00 0.00 0.00 175.76 177.34 2f5k s ILE 35 N 0.15 5.35 -0.13 0.00 1.01 -1.26 -0.09 121.20 126.23 2f5k s ILE 35 Ca -0.05 -2.76 -0.05 0.00 0.00 0.00 0.00 60.65 57.79 2f5k s ILE 35 Cb -0.15 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 2f5k s ILE 35 CO 0.04 -1.04 0.05 -0.75 0.00 0.00 0.00 174.94 173.25 2f5k s LYS 36 N -0.17 3.44 -1.55 2.79 2.20 -0.11 -4.64 119.74 121.69 2f5k s LYS 36 Ca 0.20 -0.33 -0.13 0.00 -0.36 0.00 0.00 55.97 55.35 2f5k s LYS 36 Cb -0.11 -3.02 0.09 0.00 -1.51 0.00 0.00 37.83 33.28 2f5k s LYS 36 CO -0.08 0.56 0.91 -0.25 -0.36 0.00 0.00 175.35 176.13 2f5k n ASP 37 N 2.61 -4.17 0.00 1.43 8.00 -1.26 -1.38 116.55 121.78 2f5k n ASP 37 Ca -0.18 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.48 2f5k n ASP 37 Cb 0.53 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.98 2f5k n ASP 37 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2f5k n LYS 38 N -4.60 0.00 -4.44 -1.24 5.02 -1.26 -5.00 118.16 106.64 2f5k n LYS 38 Ca 0.02 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.10 2f5k n LYS 38 Cb 0.53 -2.53 -0.11 0.00 -0.02 0.00 0.00 35.03 32.90 2f5k n LYS 38 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2f5k s GLN 39 N -0.00 1.61 -0.10 1.97 -0.21 -0.48 -5.14 119.66 117.31 2f5k s GLN 39 Ca 0.00 -1.88 -0.06 0.00 0.02 0.00 0.00 55.36 53.44 2f5k s GLN 39 Cb 0.00 -0.88 -0.04 0.00 1.00 0.00 0.00 33.01 33.09 2f5k s GLN 39 CO 0.00 -0.16 0.14 0.08 -2.12 0.00 0.00 175.29 173.23 2f5k s VAL 40 N -3.28 5.43 0.18 1.09 1.01 -1.26 -0.94 120.40 122.63 2f5k s VAL 40 Ca 0.35 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.54 2f5k s VAL 40 Cb 0.08 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2f5k s VAL 40 CO 0.15 0.57 -0.17 -0.54 0.00 0.00 0.00 175.10 175.10 2f5k s LYS 41 N -1.17 1.29 -0.01 2.72 1.02 0.87 -3.80 119.74 120.66 2f5k s LYS 41 Ca 0.17 -1.45 0.04 0.00 0.02 0.00 0.00 55.97 54.75 2f5k s LYS 41 Cb -0.12 -1.29 -0.01 0.00 -0.52 0.00 0.00 37.83 35.89 2f5k s LYS 41 CO 0.06 0.25 -0.14 0.71 -0.92 0.00 0.00 175.35 175.31 2f5k s TYR 42 N -2.25 1.29 -0.24 3.18 1.51 0.32 -1.78 117.35 119.39 2f5k s TYR 42 Ca 0.17 -0.25 -0.18 0.00 -1.01 0.00 0.00 57.07 55.81 2f5k s TYR 42 Cb -0.05 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 2f5k s TYR 42 CO 0.07 -0.02 0.51 0.12 -1.11 0.00 0.00 175.55 175.12 2f5k s PHE 43 N -0.36 3.31 -0.02 2.71 5.36 -0.19 0.46 117.98 129.26 2f5k s PHE 43 Ca 0.05 0.68 0.01 0.00 -0.96 0.00 0.00 56.93 56.72 2f5k s PHE 43 Cb -0.06 -2.69 -0.03 0.00 -0.34 0.00 0.00 43.02 39.90 2f5k s PHE 43 CO -0.00 -0.20 -0.03 0.42 -1.46 0.00 0.00 175.22 173.94 2f5k s ILE 44 N 2.02 3.97 -0.24 3.12 -1.09 0.10 -1.69 121.20 127.38 2f5k s ILE 44 Ca 0.22 -0.59 0.05 0.00 -2.23 0.00 0.00 60.65 58.10 2f5k s ILE 44 Cb -0.15 -2.73 -0.19 0.00 -1.58 0.00 0.00 42.46 37.81 2f5k s ILE 44 CO 0.09 0.44 -0.14 1.57 -1.23 0.00 0.00 174.94 175.67 2f5k n HIS 45 N 1.64 0.05 -1.72 3.97 -0.00 -0.79 -2.12 115.22 116.25 2f5k n HIS 45 Ca -0.16 0.01 -0.01 0.00 -0.00 0.00 0.00 57.72 57.56 2f5k n HIS 45 Cb 0.53 -1.01 -0.01 0.00 -0.00 0.00 0.00 29.99 29.50 2f5k n HIS 45 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2f5k n TYR 46 N -3.16 -1.52 -2.02 1.57 4.02 -1.26 -4.41 117.16 110.38 2f5k n TYR 46 Ca -0.43 0.89 -0.42 0.00 -0.01 0.00 0.00 57.90 57.94 2f5k n TYR 46 Cb 1.03 -2.40 -0.03 0.00 -0.02 0.00 0.00 39.34 37.92 2f5k n TYR 46 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2f5k s SER 47 N -0.21 6.66 0.00 7.72 1.04 -1.05 -2.39 113.70 125.47 2f5k s SER 47 Ca -0.07 2.59 0.00 0.00 0.48 0.00 0.00 55.95 58.95 2f5k s SER 47 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2f5k s SER 47 CO 0.18 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2f5k n GLY 48 N 2.97 2.39 3.76 7.32 0.00 -1.26 -4.92 105.19 115.45 2f5k n GLY 48 Ca 0.10 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2f5k n GLY 48 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2f5k s TRP 49 N -0.74 2.54 0.70 1.61 0.52 -1.00 -4.99 118.94 117.57 2f5k s TRP 49 Ca 0.00 1.51 -0.12 0.00 0.02 0.00 0.00 56.10 57.50 2f5k s TRP 49 Cb 0.00 -3.46 0.02 0.00 -1.15 0.00 0.00 33.47 28.87 2f5k s TRP 49 CO 0.00 -2.02 1.08 -0.80 0.02 0.00 0.00 176.95 175.23 2f5k s ASN 50 N -1.49 5.05 0.66 2.95 0.01 -1.26 -4.91 114.94 115.95 2f5k s ASN 50 Ca 0.73 1.80 0.29 0.00 -0.71 0.00 0.00 52.86 54.97 2f5k s ASN 50 Cb -0.30 -2.52 1.56 0.00 0.41 0.00 0.00 41.25 40.40 2f5k s ASN 50 CO 0.34 -1.66 1.89 0.11 -1.51 0.00 0.00 177.10 176.26 2f5k h LYS 51 N -0.54 0.00 -0.48 -0.60 1.57 -1.94 -2.46 116.57 112.12 2f5k h LYS 51 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2f5k h LYS 51 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2f5k h LYS 51 CO 0.54 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.51 2f5k n ASN 52 N -2.96 2.48 -0.00 0.86 4.13 -1.26 -3.22 115.26 115.28 2f5k n ASN 52 Ca -0.01 -2.08 0.11 0.00 1.68 0.00 0.00 54.58 54.27 2f5k n ASN 52 Cb 0.43 -0.33 -0.13 0.00 -1.54 0.00 0.00 39.78 38.20 2f5k n ASN 52 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2f5k n TRP 53 N 0.67 0.02 -1.52 3.10 7.02 -0.93 -4.97 117.44 120.84 2f5k n TRP 53 Ca 0.14 0.01 -0.47 0.00 -1.02 0.00 0.00 57.50 56.16 2f5k n TRP 53 Cb 0.42 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 29.02 2f5k n TRP 53 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2f5k n ASP 54 N -1.89 0.35 -3.72 -0.99 9.92 -1.20 -4.97 116.55 114.04 2f5k n ASP 54 Ca 0.00 1.15 -0.10 0.00 -0.53 0.00 0.00 54.79 55.32 2f5k n ASP 54 Cb 0.45 -1.14 -0.04 0.00 -0.64 0.00 0.00 41.12 39.75 2f5k n ASP 54 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2f5k s GLU 55 N -1.09 1.22 -0.17 -1.24 -1.05 -0.90 -4.94 118.70 110.54 2f5k s GLU 55 Ca 0.64 -0.83 -0.21 0.00 -0.15 0.00 0.00 54.97 54.42 2f5k s GLU 55 Cb -0.83 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 33.31 2f5k s GLU 55 CO 0.57 -0.49 0.65 -1.58 0.95 0.00 0.00 175.26 175.36 2f5k s TRP 56 N -3.85 3.43 0.03 4.83 0.52 -1.26 0.01 118.94 122.64 2f5k s TRP 56 Ca 0.07 1.01 0.05 0.00 0.02 0.00 0.00 56.10 57.26 2f5k s TRP 56 Cb 0.01 -2.80 -0.02 0.00 -1.15 0.00 0.00 33.47 29.51 2f5k s TRP 56 CO -0.06 -0.11 -0.15 0.08 0.02 0.00 0.00 176.95 176.73 2f5k s VAL 57 N 1.64 1.16 0.52 4.03 1.01 0.17 -4.94 120.40 123.99 2f5k s VAL 57 Ca 0.31 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 2f5k s VAL 57 Cb -0.16 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 2f5k s VAL 57 CO 0.12 0.09 0.99 -2.16 0.00 0.00 0.00 175.10 174.14 2f5k s PRO 58 N -0.97 3.87 0.44 2.72 0.04 -1.26 -0.52 135.00 139.32 2f5k s PRO 58 Ca 0.03 0.99 0.25 0.00 0.04 0.00 0.00 61.00 62.31 2f5k s PRO 58 Cb -0.07 -2.12 1.27 0.00 0.04 0.00 0.00 34.50 33.62 2f5k s PRO 58 CO 0.01 -0.33 1.74 0.93 0.04 0.00 0.00 177.00 179.39 2f5k h GLU 59 N 0.88 0.23 -0.98 4.56 5.08 -1.95 -1.72 114.58 120.68 2f5k h GLU 59 Ca -0.47 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.05 2f5k h GLU 59 Cb 1.19 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.29 2f5k h GLU 59 CO 0.61 0.15 0.61 0.66 -1.00 0.00 0.00 179.01 180.05 2f5k h SER 60 N 0.24 0.75 0.11 1.42 4.64 -1.93 -1.88 113.55 116.91 2f5k h SER 60 Ca 0.64 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 2f5k h SER 60 Cb 1.93 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 2f5k h SER 60 CO -0.26 0.32 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 2f5k n ARG 61 N -4.67 0.84 -4.57 4.77 1.74 -0.65 -4.80 116.66 109.32 2f5k n ARG 61 Ca 0.21 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.97 2f5k n ARG 61 Cb 0.53 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.36 2f5k n ARG 61 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2f5k s VAL 62 N -2.12 3.42 0.08 1.55 1.01 -0.71 -0.49 120.40 123.16 2f5k s VAL 62 Ca 0.42 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2f5k s VAL 62 Cb 0.21 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2f5k s VAL 62 CO 0.37 0.43 -0.08 -0.76 0.00 0.00 0.00 175.10 175.06 2f5k s LEU 63 N -1.27 2.40 0.44 3.92 1.43 0.11 -4.99 118.68 120.72 2f5k s LEU 63 Ca 0.15 -0.81 -0.24 0.00 -1.03 0.00 0.00 54.13 52.21 2f5k s LEU 63 Cb -0.11 -0.20 -0.08 0.00 0.03 0.00 0.00 46.19 45.83 2f5k s LEU 63 CO 0.06 -0.31 1.18 -0.75 0.23 0.00 0.00 176.35 176.75 2f5k s LYS 64 N -2.83 3.85 -1.35 1.70 2.47 -1.26 -1.68 119.74 120.64 2f5k s LYS 64 Ca 0.04 1.83 -0.15 0.00 -1.56 0.00 0.00 55.97 56.13 2f5k s LYS 64 Cb -0.02 -2.51 0.08 0.00 -1.46 0.00 0.00 37.83 33.92 2f5k s LYS 64 CO -0.01 -0.49 1.91 0.98 0.16 0.00 0.00 175.35 177.90 2f5k n TYR 65 N -0.28 4.06 -4.30 4.03 9.36 -1.26 -4.63 117.16 124.14 2f5k n TYR 65 Ca 0.06 -2.95 -0.16 0.00 3.32 0.00 0.00 57.90 58.17 2f5k n TYR 65 Cb 0.47 -2.47 -0.10 0.00 -0.63 0.00 0.00 39.34 36.61 2f5k n TYR 65 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2f5k s VAL 66 N 3.04 1.32 0.43 2.97 0.11 -1.26 -5.01 120.40 121.99 2f5k s VAL 66 Ca 0.48 -2.10 0.19 0.00 -2.93 0.00 0.00 61.98 57.63 2f5k s VAL 66 Cb 0.08 -2.03 0.39 0.00 -1.53 0.00 0.00 36.38 33.30 2f5k s VAL 66 CO -0.00 -0.60 1.84 0.44 -3.33 0.00 0.00 175.10 173.44 2f5k h ASP 67 N 2.64 0.37 -0.42 3.54 5.19 -1.99 -0.09 116.42 125.66 2f5k h ASP 67 Ca -0.37 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 2f5k h ASP 67 Cb 1.21 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.68 2f5k h ASP 67 CO 0.64 0.13 0.23 0.74 -3.12 0.00 0.00 179.24 177.86 2f5k h THR 68 N 0.36 1.15 -0.04 0.35 2.02 -1.96 -1.01 112.91 113.79 2f5k h THR 68 Ca 0.49 -0.37 -0.17 0.00 0.77 0.00 0.00 66.41 67.13 2f5k h THR 68 Cb 1.30 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2f5k h THR 68 CO -0.18 0.15 -0.71 0.78 0.37 0.00 0.00 175.52 175.93 2f5k h ASN 69 N 0.54 0.26 -0.27 4.18 -0.26 -1.47 -2.24 115.58 116.31 2f5k h ASN 69 Ca 0.15 -0.17 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 2f5k h ASN 69 Cb 0.04 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 2f5k h ASN 69 CO -0.02 0.89 0.07 -0.07 -1.06 0.00 0.00 177.43 177.23 2f5k h LEU 70 N 0.15 0.41 -0.88 1.61 3.38 -0.86 0.46 115.31 119.58 2f5k h LEU 70 Ca -0.02 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2f5k h LEU 70 Cb 1.26 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 2f5k h LEU 70 CO 0.11 0.54 0.56 -0.61 0.09 0.00 0.00 178.44 179.13 2f5k h GLN 71 N 0.27 1.05 -0.56 1.13 5.75 -1.16 -1.16 115.11 120.44 2f5k h GLN 71 Ca 0.09 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2f5k h GLN 71 Cb 0.28 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2f5k h GLN 71 CO 0.00 0.70 0.35 -0.22 -2.65 0.00 0.00 178.83 177.01 2f5k h LYS 72 N 1.08 0.75 -0.57 1.69 3.64 -0.98 -0.84 116.57 121.34 2f5k h LYS 72 Ca 0.36 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.78 2f5k h LYS 72 Cb 0.03 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.61 2f5k h LYS 72 CO -0.13 0.52 0.11 0.37 -2.27 0.00 0.00 179.45 178.05 2f5k h GLN 73 N 0.75 0.24 0.10 1.90 4.15 0.03 0.21 115.11 122.49 2f5k h GLN 73 Ca 0.20 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 2f5k h GLN 73 Cb -0.05 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 2f5k h GLN 73 CO -0.04 0.16 -0.06 -0.09 -1.93 0.00 0.00 178.83 176.86 2f5k h ARG 74 N 0.25 -0.15 -0.24 1.69 2.43 -0.62 -2.15 114.38 115.59 2f5k h ARG 74 Ca 0.30 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2f5k h ARG 74 Cb 0.43 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2f5k h ARG 74 CO -0.39 -0.10 0.03 0.93 -1.51 0.00 0.00 179.97 178.93 2f5k h GLU 75 N -0.16 0.34 0.00 0.20 5.08 -0.39 -1.73 114.58 117.92 2f5k h GLU 75 Ca -0.01 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2f5k h GLU 75 Cb 0.14 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2f5k h GLU 75 CO 0.00 0.34 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.09 2f5k h LEU 76 N 0.33 0.00 0.12 1.33 3.38 0.02 -0.41 115.31 120.09 2f5k h LEU 76 Ca 0.08 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 2f5k h LEU 76 Cb 0.18 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.95 2f5k h LEU 76 CO 0.00 0.20 -1.10 1.56 0.09 0.00 0.00 178.44 179.18 2f5k h GLN 77 N 0.00 0.53 -0.75 1.13 4.20 -0.87 -0.93 115.11 118.42 2f5k h GLN 77 Ca -0.00 -0.74 -0.06 0.00 0.06 0.00 0.00 58.65 57.92 2f5k h GLN 77 Cb 0.75 0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 2f5k h GLN 77 CO 0.03 1.33 0.25 -0.22 -0.67 0.00 0.00 178.83 179.54 2f5k h LYS 78 N 0.10 1.15 -0.37 1.46 3.64 -1.18 -0.33 116.57 121.03 2f5k h LYS 78 Ca -0.17 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 58.85 2f5k h LYS 78 Cb 1.81 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 2f5k h LYS 78 CO 0.21 0.96 -0.26 0.00 -2.27 0.00 0.00 179.45 178.10 2f5k h ALA 79 N 1.16 0.85 0.00 5.00 0.00 -1.04 -1.79 119.26 123.44 2f5k h ALA 79 Ca 0.24 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2f5k h ALA 79 Cb 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2f5k h ALA 79 CO -0.01 0.64 -0.09 -0.97 0.00 0.00 0.00 179.25 178.82 2f5k h ASN 80 N 0.65 0.00 0.33 0.00 -1.24 -0.77 -2.45 115.58 112.09 2f5k h ASN 80 Ca 0.08 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 2f5k h ASN 80 Cb 0.77 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.83 2f5k h ASN 80 CO 0.06 0.09 -0.16 -0.61 -1.29 0.00 0.00 177.43 175.52 2f5k h GLN 81 N 0.00 -0.42 0.00 6.67 4.15 -0.23 -0.40 115.11 124.88 2f5k h GLN 81 Ca -0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2f5k h GLN 81 Cb 0.55 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2f5k h GLN 81 CO 0.01 -0.14 0.14 1.49 -1.93 0.00 0.00 178.83 178.40 2f5k h GLU 82 N -0.69 0.00 -0.93 1.69 4.81 -1.16 -0.14 114.58 118.15 2f5k h GLU 82 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2f5k h GLU 82 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2f5k h GLU 82 CO 0.07 0.00 0.00 0.94 -0.73 0.00 0.00 179.01 179.29 2f5k n GLN 83 N -2.95 0.80 0.01 1.92 7.27 -0.16 -2.79 117.38 121.49 2f5k n GLN 83 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 2f5k n GLN 83 Cb 0.19 -1.30 0.00 0.00 2.41 0.00 0.00 30.24 31.54 2f5k n GLN 83 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2f5k n TYR 84 N 0.26 -0.21 0.30 3.69 4.02 -0.07 -4.85 117.16 120.31 2f5k n TYR 84 Ca 0.00 0.04 0.15 0.00 -0.01 0.00 0.00 57.90 58.08 2f5k n TYR 84 Cb 0.27 0.29 0.55 0.00 -0.02 0.00 0.00 39.34 40.42 2f5k n TYR 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2f5k h ALA 85 N 0.00 1.00 -0.01 -0.72 0.00 -1.61 -3.53 119.26 114.39 2f5k h ALA 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2f5k h ALA 85 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2f5k h ALA 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64