#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fhm s LEU 2 N 0.00 1.44 0.16 -0.89 2.96 -0.95 -4.86 118.68 116.53 2fhm s LEU 2 Ca 0.00 -1.61 -0.17 0.00 -0.22 0.00 0.00 54.13 52.13 2fhm s LEU 2 Cb 0.00 0.77 0.03 0.00 0.50 0.00 0.00 46.19 47.50 2fhm s LEU 2 CO 0.00 -1.08 0.46 -1.58 -1.32 0.00 0.00 176.35 172.82 2fhm s GLN 3 N -3.49 1.20 0.24 1.98 0.74 -0.20 -1.51 119.66 118.63 2fhm s GLN 3 Ca 0.38 -0.77 0.03 0.00 0.05 0.00 0.00 55.36 55.05 2fhm s GLN 3 Cb 0.02 0.49 -0.05 0.00 1.10 0.00 0.00 33.01 34.57 2fhm s GLN 3 CO 0.23 -0.49 0.01 1.52 -0.55 0.00 0.00 175.29 176.01 2fhm s TYR 4 N -3.83 1.58 -0.02 1.67 -0.85 -0.20 -1.14 117.35 114.55 2fhm s TYR 4 Ca 0.06 -0.96 0.04 0.00 -0.52 0.00 0.00 57.07 55.69 2fhm s TYR 4 Cb 0.01 -0.93 -0.01 0.00 0.38 0.00 0.00 41.96 41.41 2fhm s TYR 4 CO -0.08 -0.07 -0.12 0.50 -1.52 0.00 0.00 175.55 174.25 2fhm s ARG 5 N -3.88 1.09 0.03 -3.49 3.52 -0.22 -2.68 118.95 113.31 2fhm s ARG 5 Ca 0.30 -0.44 0.02 0.00 -0.13 0.00 0.00 55.73 55.48 2fhm s ARG 5 Cb 0.06 -1.03 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 2fhm s ARG 5 CO 0.10 0.23 -0.06 0.42 -0.81 0.00 0.00 175.30 175.18 2fhm s ILE 6 N -0.15 0.46 -0.03 4.11 1.01 0.21 -0.18 121.20 126.62 2fhm s ILE 6 Ca 0.02 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2fhm s ILE 6 Cb -0.06 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.92 2fhm s ILE 6 CO -0.00 -0.24 -0.09 0.27 0.00 0.00 0.00 174.94 174.88 2fhm s ILE 7 N -0.99 0.82 0.03 2.92 -0.00 -0.44 -0.93 121.20 122.61 2fhm s ILE 7 Ca -0.07 -0.38 -0.05 0.00 -0.00 0.00 0.00 60.65 60.15 2fhm s ILE 7 Cb -0.07 -0.73 -0.01 0.00 -0.00 0.00 0.00 42.46 41.65 2fhm s ILE 7 CO 0.00 0.25 0.09 0.68 -0.00 0.00 0.00 174.94 175.97 2fhm s VAL 8 N 0.19 0.12 0.03 8.37 -7.23 -0.22 -1.03 120.40 120.63 2fhm s VAL 8 Ca -0.03 -1.01 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2fhm s VAL 8 Cb -0.09 -0.77 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 2fhm s VAL 8 CO 0.01 -0.56 0.00 -0.62 -0.31 0.00 0.00 175.10 173.62 2fhm s ASP 9 N -1.95 0.27 0.00 4.85 2.15 -0.68 -1.04 116.67 120.27 2fhm s ASP 9 Ca -0.07 -0.59 0.00 0.00 0.43 0.00 0.00 52.55 52.31 2fhm s ASP 9 Cb -0.03 0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 2fhm s ASP 9 CO -0.03 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 2fhm n GLY 10 N 1.12 0.13 3.44 2.66 0.00 -1.26 -0.46 105.19 110.83 2fhm n GLY 10 Ca -0.21 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 2fhm n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2fhm n ARG 11 N 0.00 2.45 0.00 1.61 0.63 -0.27 -4.52 116.66 116.57 2fhm n ARG 11 Ca 0.00 -2.79 0.04 0.00 -0.92 0.00 0.00 57.85 54.18 2fhm n ARG 11 Cb 0.00 -3.50 0.02 0.00 0.45 0.00 0.00 32.46 29.43 2fhm n ARG 11 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2fhm n VAL 12 N 6.71 0.00 -2.68 5.15 0.24 -1.25 -1.15 118.33 125.35 2fhm n VAL 12 Ca 0.48 -0.47 0.02 0.00 -2.04 0.00 0.00 64.34 62.33 2fhm n VAL 12 Cb 0.45 1.15 0.04 0.00 -1.47 0.00 0.00 33.84 34.01 2fhm n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2fhm n GLN 13 N 0.20 0.93 -3.52 7.34 1.13 -1.26 -2.21 117.38 119.98 2fhm n GLN 13 Ca 0.04 -2.79 -0.12 0.00 -1.94 0.00 0.00 57.00 52.20 2fhm n GLN 13 Cb 0.20 -0.85 -0.03 0.00 0.11 0.00 0.00 30.24 29.67 2fhm n GLN 13 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2fhm s GLY 14 N -2.94 -0.45 0.00 1.08 0.00 -1.26 -4.83 107.32 98.91 2fhm s GLY 14 Ca 0.30 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.29 2fhm s GLY 14 CO -0.10 -0.03 0.00 -0.62 0.00 0.00 0.00 173.10 172.36 2fhm n VAL 15 N -0.24 0.00 0.84 1.40 0.31 -1.26 -1.25 118.33 118.12 2fhm n VAL 15 Ca -0.17 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.27 2fhm n VAL 15 Cb 0.64 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.48 2fhm n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fhm n GLY 16 N 0.00 -1.04 7.00 2.92 0.00 -1.26 -5.05 105.19 107.77 2fhm n GLY 16 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2fhm n GLY 16 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2fhm n PHE 17 N -1.63 -0.85 0.25 1.61 3.01 -0.38 -0.97 117.46 118.51 2fhm n PHE 17 Ca 0.03 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.61 2fhm n PHE 17 Cb 0.37 0.13 0.56 0.00 -0.01 0.00 0.00 39.48 40.53 2fhm n PHE 17 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2fhm n ARG 18 N -0.32 0.17 0.08 -1.08 1.85 -0.94 -1.90 116.66 114.52 2fhm n ARG 18 Ca 0.00 0.56 0.05 0.00 -1.00 0.00 0.00 57.85 57.46 2fhm n ARG 18 Cb 0.00 -1.94 0.47 0.00 -1.05 0.00 0.00 32.46 29.94 2fhm n ARG 18 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2fhm h TYR 19 N 0.00 0.36 -0.36 2.89 3.20 -1.85 -3.10 116.97 118.11 2fhm h TYR 19 Ca 0.00 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2fhm h TYR 19 Cb 0.14 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 2fhm h TYR 19 CO 0.00 0.26 0.02 0.27 -1.64 0.00 0.00 178.16 177.07 2fhm h PHE 20 N 0.38 0.02 -0.06 -3.82 -5.15 -0.33 0.04 116.94 108.02 2fhm h PHE 20 Ca 0.10 0.03 -0.05 0.00 -0.20 0.00 0.00 57.97 57.84 2fhm h PHE 20 Cb 0.01 0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.22 2fhm h PHE 20 CO 0.00 -0.04 -0.21 -0.39 -2.00 0.00 0.00 178.31 175.67 2fhm h VAL 21 N 0.13 1.18 0.00 0.88 -1.51 -1.74 -1.43 116.25 113.76 2fhm h VAL 21 Ca 0.18 -0.85 -0.07 0.00 -1.23 0.00 0.00 66.70 64.72 2fhm h VAL 21 Cb 0.23 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 2fhm h VAL 21 CO -0.27 0.25 -0.35 1.56 -1.23 0.00 0.00 177.57 177.52 2fhm h GLN 22 N 0.10 0.00 -0.09 5.19 1.08 -1.09 0.22 115.11 120.52 2fhm h GLN 22 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2fhm h GLN 22 Cb 0.43 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2fhm h GLN 22 CO 0.03 0.35 0.03 0.52 -0.95 0.00 0.00 178.83 178.81 2fhm h MET 23 N 0.00 0.13 -0.01 1.46 2.86 -0.14 -1.19 114.93 118.04 2fhm h MET 23 Ca -0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2fhm h MET 23 Cb 1.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 2fhm h MET 23 CO 0.05 0.26 -0.29 0.93 1.06 0.00 0.00 176.91 178.92 2fhm h GLU 24 N -0.03 0.01 -0.13 1.72 4.39 -0.68 -0.45 114.58 119.41 2fhm h GLU 24 Ca 0.03 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2fhm h GLU 24 Cb 0.18 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2fhm h GLU 24 CO -0.00 0.30 -0.04 0.00 -1.16 0.00 0.00 179.01 178.10 2fhm h ALA 25 N 1.70 0.18 -0.78 3.43 0.00 -0.51 -2.95 119.26 120.33 2fhm h ALA 25 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2fhm h ALA 25 Cb 0.51 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2fhm h ALA 25 CO 0.04 -0.06 0.41 0.22 0.00 0.00 0.00 179.25 179.87 2fhm h ASP 26 N -0.07 0.98 0.01 0.00 3.58 -0.75 -0.15 116.42 120.03 2fhm h ASP 26 Ca 0.03 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2fhm h ASP 26 Cb 0.48 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2fhm h ASP 26 CO 0.02 0.80 0.00 0.50 -2.88 0.00 0.00 179.24 177.67 2fhm h LYS 27 N 1.10 0.00 -0.12 0.28 3.11 -1.04 -0.09 116.57 119.81 2fhm h LYS 27 Ca 0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 2fhm h LYS 27 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 2fhm h LYS 27 CO -0.04 0.00 0.00 0.54 -2.81 0.00 0.00 179.45 177.14 2fhm n ARG 28 N -2.70 2.65 -3.33 1.90 5.12 -0.33 -5.00 116.66 114.97 2fhm n ARG 28 Ca -0.02 -1.98 -0.20 0.00 -1.93 0.00 0.00 57.85 53.72 2fhm n ARG 28 Cb 0.06 -1.25 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 2fhm n ARG 28 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2fhm n LYS 29 N -0.41 -2.42 -1.16 5.56 0.00 -0.05 -4.95 118.16 114.74 2fhm n LYS 29 Ca 0.08 0.21 -0.31 0.00 0.00 0.00 0.00 58.31 58.30 2fhm n LYS 29 Cb 0.44 -4.80 0.12 0.00 0.00 0.00 0.00 35.03 30.78 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2fhm s LEU 30 N -6.10 2.75 -0.07 3.14 1.43 -0.31 -4.93 118.68 114.58 2fhm s LEU 30 Ca 0.35 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 55.24 2fhm s LEU 30 Cb -0.20 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 41.70 2fhm s LEU 30 CO 0.43 -2.39 -0.11 0.00 0.23 0.00 0.00 176.35 174.52 2fhm s ALA 31 N -2.87 1.23 0.00 4.21 0.00 -1.06 -3.79 121.76 119.49 2fhm s ALA 31 Ca 0.63 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2fhm s ALA 31 Cb -0.18 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2fhm s ALA 31 CO 0.57 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.77 2fhm n GLY 32 N 3.98 -1.37 3.17 0.00 0.00 -0.67 -0.46 105.19 109.84 2fhm n GLY 32 Ca -0.22 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2fhm n GLY 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2fhm s TRP 33 N -2.88 0.89 0.03 1.61 -2.14 0.33 -0.12 118.94 116.67 2fhm s TRP 33 Ca 0.00 -0.98 0.05 0.00 2.66 0.00 0.00 56.10 57.83 2fhm s TRP 33 Cb 0.00 -0.53 -0.02 0.00 -3.10 0.00 0.00 33.47 29.82 2fhm s TRP 33 CO 0.00 -0.23 -0.15 0.54 -2.66 0.00 0.00 176.95 174.45 2fhm s VAL 34 N -3.71 1.19 0.12 -0.66 0.11 -0.41 -1.53 120.40 115.51 2fhm s VAL 34 Ca 0.14 -0.98 -0.06 0.00 -2.93 0.00 0.00 61.98 58.15 2fhm s VAL 34 Cb 0.06 -1.06 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2fhm s VAL 34 CO -0.03 0.07 0.16 -0.75 -3.33 0.00 0.00 175.10 171.22 2fhm s LYS 35 N -1.05 0.93 -0.15 1.54 2.20 -0.12 -1.31 119.74 121.78 2fhm s LYS 35 Ca 0.03 -1.17 0.02 0.00 -0.36 0.00 0.00 55.97 54.49 2fhm s LYS 35 Cb -0.08 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 2fhm s LYS 35 CO 0.01 -0.29 -0.19 1.21 -0.36 0.00 0.00 175.35 175.72 2fhm s ASN 36 N -2.94 2.95 0.59 1.43 3.84 -1.26 -1.01 114.94 118.54 2fhm s ASN 36 Ca 0.13 -0.57 -0.15 0.00 0.21 0.00 0.00 52.86 52.48 2fhm s ASN 36 Cb 0.05 -1.36 -0.04 0.00 -0.55 0.00 0.00 41.25 39.35 2fhm s ASN 36 CO -0.05 0.03 1.04 -0.13 -2.79 0.00 0.00 177.10 175.20 2fhm s ARG 37 N 1.08 3.42 0.46 0.43 0.52 0.27 -4.96 118.95 120.17 2fhm s ARG 37 Ca -0.02 1.10 0.12 0.00 -0.52 0.00 0.00 55.73 56.42 2fhm s ARG 37 Cb -0.14 -2.05 1.06 0.00 0.52 0.00 0.00 34.95 34.34 2fhm s ARG 37 CO -0.06 -0.72 2.09 0.22 0.02 0.00 0.00 175.30 176.85 2fhm h ASP 38 N 0.38 0.20 0.61 0.23 3.58 -2.01 -0.97 116.42 118.44 2fhm h ASP 38 Ca -0.46 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2fhm h ASP 38 Cb 1.21 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2fhm h ASP 38 CO 0.58 0.17 0.00 -0.90 -2.88 0.00 0.00 179.24 176.21 2fhm n ASP 39 N -4.49 0.10 0.00 2.28 5.68 -1.26 -4.91 116.55 113.95 2fhm n ASP 39 Ca -0.00 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 2fhm n ASP 39 Cb 0.10 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.53 2fhm n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fhm n GLY 40 N 0.20 1.84 3.76 6.12 0.00 -0.37 -5.09 105.19 111.65 2fhm n GLY 40 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2fhm n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fhm s ARG 41 N -0.13 3.21 0.37 1.61 3.00 -1.26 -4.66 118.95 121.10 2fhm s ARG 41 Ca 0.00 1.91 -0.24 0.00 0.00 0.00 0.00 55.73 57.40 2fhm s ARG 41 Cb 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 34.95 32.72 2fhm s ARG 41 CO 0.00 -1.03 0.96 0.08 0.00 0.00 0.00 175.30 175.31 2fhm s VAL 42 N -1.51 4.20 -0.02 3.52 1.01 -0.20 -0.56 120.40 126.82 2fhm s VAL 42 Ca 0.73 1.64 0.04 0.00 0.00 0.00 0.00 61.98 64.39 2fhm s VAL 42 Cb -0.32 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 2fhm s VAL 42 CO 0.37 -0.03 -0.15 -0.70 0.00 0.00 0.00 175.10 174.58 2fhm s GLU 43 N -2.49 1.41 0.01 2.72 2.12 -0.18 -1.06 118.70 121.23 2fhm s GLU 43 Ca 0.55 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 55.37 2fhm s GLU 43 Cb -0.16 -1.30 -0.01 0.00 0.26 0.00 0.00 34.13 32.92 2fhm s GLU 43 CO 0.21 0.28 -0.10 0.42 -0.54 0.00 0.00 175.26 175.53 2fhm s ILE 44 N -0.17 0.80 -0.13 -3.70 1.01 -0.11 -0.95 121.20 117.96 2fhm s ILE 44 Ca 0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 2fhm s ILE 44 Cb -0.08 -0.71 0.06 0.00 0.01 0.00 0.00 42.46 41.74 2fhm s ILE 44 CO 0.00 0.09 0.28 -0.22 0.00 0.00 0.00 174.94 175.09 2fhm s LEU 45 N -0.60 0.07 0.11 2.97 0.20 -0.59 -0.62 118.68 120.23 2fhm s LEU 45 Ca 0.02 0.62 -0.17 0.00 0.69 0.00 0.00 54.13 55.28 2fhm s LEU 45 Cb -0.05 0.83 0.04 0.00 -0.43 0.00 0.00 46.19 46.58 2fhm s LEU 45 CO 0.00 -0.20 0.41 0.00 -0.29 0.00 0.00 176.35 176.28 2fhm s ALA 46 N 1.71 -0.98 0.20 5.97 0.00 -1.09 -0.51 121.76 127.05 2fhm s ALA 46 Ca -0.06 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.03 2fhm s ALA 46 Cb -0.11 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 2fhm s ALA 46 CO -0.09 -0.62 -0.01 -1.83 0.00 0.00 0.00 175.76 173.22 2fhm s GLU 47 N -3.56 2.36 0.00 0.00 -1.05 0.39 -1.04 118.70 115.81 2fhm s GLU 47 Ca 0.01 -1.18 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 2fhm s GLU 47 Cb 0.01 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.40 2fhm s GLU 47 CO -0.10 0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.95 2fhm n GLY 48 N -0.29 -0.62 3.75 -3.83 0.00 -0.57 -2.55 105.19 101.08 2fhm n GLY 48 Ca -0.09 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 2fhm n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fhm s PRO 49 N -2.00 2.63 0.16 1.61 0.04 -1.26 -2.25 135.00 133.93 2fhm s PRO 49 Ca 0.00 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 62.41 2fhm s PRO 49 Cb 0.00 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.70 2fhm s PRO 49 CO 0.00 -1.41 1.74 1.49 0.04 0.00 0.00 177.00 178.86 2fhm h GLU 50 N 0.02 0.25 -0.97 4.56 4.81 -1.96 -1.40 114.58 119.90 2fhm h GLU 50 Ca -0.47 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2fhm h GLU 50 Cb 1.26 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 2fhm h GLU 50 CO 0.53 0.17 0.63 -0.97 -0.73 0.00 0.00 179.01 178.64 2fhm h ASN 51 N 0.26 1.12 -0.25 1.04 -0.73 -1.99 0.58 115.58 115.61 2fhm h ASN 51 Ca 0.17 -0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 2fhm h ASN 51 Cb 0.17 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 2fhm h ASN 51 CO -0.19 0.82 0.07 0.00 -0.37 0.00 0.00 177.43 177.76 2fhm h ALA 52 N 1.35 0.33 -0.29 1.57 0.00 -1.75 -0.93 119.26 119.55 2fhm h ALA 52 Ca 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2fhm h ALA 52 Cb -0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2fhm h ALA 52 CO -0.07 -0.03 0.07 -0.07 0.00 0.00 0.00 179.25 179.14 2fhm h LEU 53 N 0.24 0.44 -0.45 0.00 3.38 -0.72 -0.91 115.31 117.29 2fhm h LEU 53 Ca 0.08 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2fhm h LEU 53 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2fhm h LEU 53 CO -0.00 0.56 0.09 1.56 0.09 0.00 0.00 178.44 180.74 2fhm h GLN 54 N 0.30 0.74 -0.87 1.13 1.08 -0.88 -0.65 115.11 115.96 2fhm h GLN 54 Ca 0.09 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2fhm h GLN 54 Cb 0.29 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.59 2fhm h GLN 54 CO 0.00 0.75 0.52 0.77 -0.95 0.00 0.00 178.83 179.93 2fhm h SER 55 N 0.61 1.05 -0.13 1.46 0.02 -1.07 -1.25 113.55 114.25 2fhm h SER 55 Ca 0.14 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2fhm h SER 55 Cb 0.36 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2fhm h SER 55 CO 0.01 0.81 0.05 0.15 -1.14 0.00 0.00 176.83 176.71 2fhm h PHE 56 N 1.20 0.10 -0.72 3.45 3.04 -0.85 -0.94 116.94 122.21 2fhm h PHE 56 Ca 0.31 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.31 2fhm h PHE 56 Cb -0.04 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.39 2fhm h PHE 56 CO 0.00 0.05 0.43 0.28 -2.02 0.00 0.00 178.31 177.06 2fhm h VAL 57 N 0.12 1.04 -0.81 1.41 2.07 -0.43 0.19 116.25 119.84 2fhm h VAL 57 Ca 0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2fhm h VAL 57 Cb 0.02 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 2fhm h VAL 57 CO -0.05 0.15 0.42 -0.33 0.02 0.00 0.00 177.57 177.78 2fhm h GLU 58 N 0.82 1.14 -0.56 1.57 5.08 -1.04 -0.20 114.58 121.38 2fhm h GLU 58 Ca 0.31 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2fhm h GLU 58 Cb 0.11 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2fhm h GLU 58 CO -0.15 0.86 0.25 0.00 -1.00 0.00 0.00 179.01 178.97 2fhm h ALA 59 N 1.22 0.73 0.38 3.43 0.00 0.18 0.71 119.26 125.89 2fhm h ALA 59 Ca 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2fhm h ALA 59 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2fhm h ALA 59 CO -0.04 0.31 -0.18 0.28 0.00 0.00 0.00 179.25 179.62 2fhm h VAL 60 N 0.76 0.64 -0.96 0.00 2.07 -0.75 -2.91 116.25 115.10 2fhm h VAL 60 Ca 0.19 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.59 2fhm h VAL 60 Cb 0.15 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2fhm h VAL 60 CO -0.02 0.03 0.63 0.50 0.02 0.00 0.00 177.57 178.73 2fhm h LYS 61 N -0.59 1.15 0.00 1.57 3.64 -0.79 -0.18 116.57 121.37 2fhm h LYS 61 Ca -0.05 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2fhm h LYS 61 Cb 0.44 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2fhm h LYS 61 CO 0.08 0.76 -0.19 -0.97 -2.27 0.00 0.00 179.45 176.86 2fhm h ASN 62 N 1.19 0.00 -5.81 4.20 -1.24 -0.86 -3.44 115.58 109.62 2fhm h ASN 62 Ca 0.39 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 57.04 2fhm h ASN 62 Cb 0.05 0.00 0.13 0.00 0.73 0.00 0.00 38.32 39.23 2fhm h ASN 62 CO -0.13 0.19 -0.81 0.61 -1.29 0.00 0.00 177.43 176.01 2fhm n GLY 63 N -0.69 -0.43 0.13 1.57 0.00 -0.08 -4.94 105.19 100.75 2fhm n GLY 63 Ca -0.02 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 2fhm n GLY 63 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2fhm h SER 64 N -1.81 -0.11 -2.53 1.61 0.02 -1.79 -3.44 113.55 105.51 2fhm h SER 64 Ca -0.60 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.26 2fhm h SER 64 Cb 1.34 0.11 0.06 0.00 0.14 0.00 0.00 62.40 64.06 2fhm h SER 64 CO 0.52 -0.02 0.12 -0.81 -1.14 0.00 0.00 176.83 175.50 2fhm n PRO 65 N -5.16 -0.78 -0.34 3.45 -0.04 -1.26 -4.97 135.00 125.89 2fhm n PRO 65 Ca -0.00 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 2fhm n PRO 65 Cb 0.15 -0.51 0.14 0.00 -0.04 0.00 0.00 33.50 33.24 2fhm n PRO 65 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2fhm h PHE 66 N -1.44 1.12 -3.74 0.54 -5.15 -1.98 -3.41 116.94 102.89 2fhm h PHE 66 Ca -0.15 0.03 -0.51 0.00 -0.20 0.00 0.00 57.97 57.14 2fhm h PHE 66 Cb 0.42 -0.37 0.02 0.00 0.22 0.00 0.00 35.95 36.24 2fhm h PHE 66 CO 0.00 0.62 0.48 -1.12 -2.00 0.00 0.00 178.31 176.30 2fhm s SER 67 N -5.91 7.25 0.20 -0.68 0.01 -1.26 -4.92 113.70 108.39 2fhm s SER 67 Ca -0.13 2.24 -0.20 0.00 1.31 0.00 0.00 55.95 59.18 2fhm s SER 67 Cb 0.18 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.83 2fhm s SER 67 CO 0.80 -0.18 0.59 -1.59 0.41 0.00 0.00 173.24 173.27 2fhm s LYS 68 N -1.18 1.44 0.11 12.44 -2.85 -0.30 -4.49 119.74 124.91 2fhm s LYS 68 Ca 0.46 -0.78 0.09 0.00 -1.00 0.00 0.00 55.97 54.74 2fhm s LYS 68 Cb -0.32 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 2fhm s LYS 68 CO 0.40 -0.63 -0.18 0.14 0.10 0.00 0.00 175.35 175.18 2fhm s VAL 69 N -3.85 2.81 0.00 1.79 -7.23 -1.26 -1.11 120.40 111.56 2fhm s VAL 69 Ca 0.07 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2fhm s VAL 69 Cb -0.02 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.64 2fhm s VAL 69 CO -0.04 0.12 0.07 0.35 -0.31 0.00 0.00 175.10 175.30 2fhm n THR 70 N 0.86 0.00 -3.82 5.32 -2.24 0.40 -4.85 114.28 109.94 2fhm n THR 70 Ca -0.16 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 2fhm n THR 70 Cb 0.53 1.09 -0.12 0.00 -2.10 0.00 0.00 70.33 69.73 2fhm n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fhm s ASP 71 N -0.47 -0.15 -0.12 3.42 2.15 -0.86 -5.00 116.67 115.64 2fhm s ASP 71 Ca 0.00 0.27 -0.12 0.00 0.43 0.00 0.00 52.55 53.13 2fhm s ASP 71 Cb 0.00 0.32 0.03 0.00 -0.30 0.00 0.00 42.92 42.97 2fhm s ASP 71 CO 0.00 -0.10 0.33 -0.51 -0.17 0.00 0.00 175.17 174.73 2fhm s ILE 72 N -0.09 0.00 0.02 4.11 2.07 -1.26 -1.69 121.20 124.36 2fhm s ILE 72 Ca -0.02 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 2fhm s ILE 72 Cb -0.02 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 2fhm s ILE 72 CO 0.00 -0.02 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.54 2fhm s SER 73 N 0.07 0.32 0.02 4.50 0.01 -0.20 -5.01 113.70 113.42 2fhm s SER 73 Ca -0.01 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.80 2fhm s SER 73 Cb -0.03 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 2fhm s SER 73 CO 0.01 -0.25 -0.04 -0.69 0.41 0.00 0.00 173.24 172.67 2fhm s VAL 74 N -1.30 0.26 0.07 3.43 1.01 -1.26 -1.32 120.40 121.29 2fhm s VAL 74 Ca -0.13 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2fhm s VAL 74 Cb -0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2fhm s VAL 74 CO -0.01 -0.26 -0.15 -0.89 0.00 0.00 0.00 175.10 173.80 2fhm s THR 75 N -0.90 1.16 -0.03 3.92 2.01 0.74 -4.99 115.64 117.55 2fhm s THR 75 Ca -0.08 -1.26 0.01 0.00 0.31 0.00 0.00 61.69 60.68 2fhm s THR 75 Cb -0.07 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.36 2fhm s THR 75 CO -0.00 -0.16 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.11 2fhm s GLU 76 N -1.61 0.66 0.19 4.92 2.02 -1.26 -1.06 118.70 122.56 2fhm s GLU 76 Ca -0.00 -0.12 -0.07 0.00 0.02 0.00 0.00 54.97 54.79 2fhm s GLU 76 Cb -0.10 -0.68 -0.02 0.00 0.10 0.00 0.00 34.13 33.44 2fhm s GLU 76 CO 0.02 -0.01 0.26 -1.54 0.02 0.00 0.00 175.26 174.01 2fhm s SER 77 N 0.56 0.07 0.00 -0.19 1.04 -0.29 -4.97 113.70 109.92 2fhm s SER 77 Ca -0.07 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2fhm s SER 77 Cb -0.11 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2fhm s SER 77 CO -0.00 -0.92 0.33 0.54 0.98 0.00 0.00 173.24 174.17 2fhm n ARG 78 N -0.26 -0.62 0.25 4.02 3.00 -1.26 -1.03 116.66 120.75 2fhm n ARG 78 Ca -0.03 -0.33 0.12 0.00 -0.01 0.00 0.00 57.85 57.59 2fhm n ARG 78 Cb 0.64 -0.83 0.66 0.00 0.00 0.00 0.00 32.46 32.93 2fhm n ARG 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2fhm h SER 79 N 0.00 0.00 -3.42 0.55 0.02 -1.94 -3.47 113.55 105.28 2fhm h SER 79 Ca 0.00 0.00 0.36 0.00 -0.84 0.00 0.00 61.79 61.31 2fhm h SER 79 Cb 0.18 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.60 2fhm h SER 79 CO 0.00 0.15 -0.71 0.18 -1.14 0.00 0.00 176.83 175.31 2fhm n LEU 80 N -3.61 -0.77 0.00 5.07 4.77 -1.26 -4.98 117.00 116.22 2fhm n LEU 80 Ca -0.01 1.73 0.00 0.00 -0.03 0.00 0.00 56.01 57.70 2fhm n LEU 80 Cb 0.28 -4.31 0.00 0.00 -2.33 0.00 0.00 43.42 37.07 2fhm n LEU 80 CO 0.31 -3.19 0.00 -1.84 -1.33 0.00 0.00 177.39 171.34 2fhm n GLU 81 N -4.16 3.05 -0.60 3.23 -0.00 -1.26 -5.04 120.64 115.87 2fhm n GLU 81 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 2fhm n GLU 81 Cb 0.63 -0.25 0.00 0.00 -0.00 0.00 0.00 31.44 31.82 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2fhm n GLY 82 N 0.00 0.79 2.17 -1.84 0.00 -1.26 -5.05 105.19 99.99 2fhm n GLY 82 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2fhm n GLY 82 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2fhm n HIS 83 N -2.08 -3.80 -0.48 1.61 8.25 -1.26 -5.05 115.22 112.41 2fhm n HIS 83 Ca 0.00 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 2fhm n HIS 83 Cb 0.00 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.57 2fhm n HIS 83 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2fhm n HIS 84 N -2.84 0.00 -4.04 4.41 1.44 -1.26 -4.88 115.22 108.06 2fhm n HIS 84 Ca 0.09 -0.07 -0.10 0.00 -2.01 0.00 0.00 57.72 55.63 2fhm n HIS 84 Cb 0.33 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.37 2fhm n HIS 84 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2fhm s ARG 85 N -0.15 1.52 0.58 -1.40 1.70 -1.26 -4.73 118.95 115.22 2fhm s ARG 85 Ca 0.00 -1.36 -0.17 0.00 -0.47 0.00 0.00 55.73 53.73 2fhm s ARG 85 Cb 0.00 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2fhm s ARG 85 CO 0.00 -0.62 1.08 -0.59 -1.08 0.00 0.00 175.30 174.09 2fhm s PHE 86 N -3.95 2.85 0.05 5.89 -0.12 -1.25 -1.67 117.98 119.78 2fhm s PHE 86 Ca 0.26 1.54 -0.01 0.00 -0.05 0.00 0.00 56.93 58.66 2fhm s PHE 86 Cb 0.01 -3.10 -0.04 0.00 -0.63 0.00 0.00 43.02 39.26 2fhm s PHE 86 CO 0.10 -1.29 -0.02 -1.12 -0.05 0.00 0.00 175.22 172.85 2fhm s SER 87 N -2.44 0.45 -0.18 1.98 0.01 0.83 -4.87 113.70 109.47 2fhm s SER 87 Ca 0.66 -0.94 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 2fhm s SER 87 Cb -0.18 0.20 0.06 0.00 0.21 0.00 0.00 66.02 66.30 2fhm s SER 87 CO 0.34 -0.58 0.04 -0.63 0.41 0.00 0.00 173.24 172.81 2fhm s ILE 88 N -3.73 0.46 0.34 1.44 1.01 -1.26 -1.28 121.20 118.18 2fhm s ILE 88 Ca 0.05 -0.48 -0.28 0.00 0.00 0.00 0.00 60.65 59.94 2fhm s ILE 88 Cb 0.06 -0.96 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 2fhm s ILE 88 CO -0.09 -0.18 1.28 -0.69 0.00 0.00 0.00 174.94 175.25 2fhm s VAL 89 N 1.89 2.80 0.00 2.92 1.01 -0.43 -4.94 120.40 123.65 2fhm s VAL 89 Ca -0.00 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2fhm s VAL 89 Cb -0.17 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2fhm s VAL 89 CO -0.08 0.17 0.30 0.00 0.00 0.00 0.00 175.10 175.49 2fhm n TYR 90 N 0.69 0.00 0.00 5.22 0.18 -1.26 -4.89 117.16 117.10 2fhm n TYR 90 Ca 0.01 -0.04 0.00 0.00 1.88 0.00 0.00 57.90 59.75 2fhm n TYR 90 Cb 0.43 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21