#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 2.15 -0.09 -0.89 1.02 -0.82 -4.60 118.68 115.45 2fhm s LEU 2 Ca 0.00 -1.62 -0.14 0.00 0.02 0.00 0.00 54.13 52.39 2fhm s LEU 2 Cb 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 46.19 45.88 2fhm s LEU 2 CO 0.00 -0.85 0.35 -1.58 0.02 0.00 0.00 176.35 174.29 2fhm s GLN 3 N -3.78 0.53 0.24 1.70 -0.44 0.37 -1.04 119.66 117.24 2fhm s GLN 3 Ca 0.20 0.25 0.06 0.00 -2.50 0.00 0.00 55.36 53.37 2fhm s GLN 3 Cb 0.03 0.25 -0.03 0.00 -1.64 0.00 0.00 33.01 31.62 2fhm s GLN 3 CO 0.11 -0.11 0.26 1.52 0.50 0.00 0.00 175.29 177.57 2fhm s TYR 4 N -0.40 3.25 -0.00 1.67 -0.85 -0.39 -1.02 117.35 119.61 2fhm s TYR 4 Ca -0.05 -0.07 0.08 0.00 -0.52 0.00 0.00 57.07 56.51 2fhm s TYR 4 Cb -0.03 -1.48 -0.02 0.00 0.38 0.00 0.00 41.96 40.80 2fhm s TYR 4 CO 0.02 0.49 -0.25 1.03 -1.52 0.00 0.00 175.55 175.33 2fhm s ARG 5 N -3.85 2.07 -0.01 -3.49 0.52 -0.33 -2.78 118.95 111.09 2fhm s ARG 5 Ca 0.33 -0.96 -0.01 0.00 -0.52 0.00 0.00 55.73 54.58 2fhm s ARG 5 Cb -0.08 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2fhm s ARG 5 CO 0.27 0.55 0.02 0.42 0.02 0.00 0.00 175.30 176.58 2fhm s ILE 6 N -0.69 0.01 -0.02 1.52 1.01 0.25 -0.50 121.20 122.78 2fhm s ILE 6 Ca 0.11 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2fhm s ILE 6 Cb -0.10 -0.06 -0.01 0.00 0.01 0.00 0.00 42.46 42.30 2fhm s ILE 6 CO 0.00 -0.04 -0.14 -0.63 0.00 0.00 0.00 174.94 174.13 2fhm s ILE 7 N -0.10 1.13 0.04 2.92 -1.09 -0.37 -1.10 121.20 122.63 2fhm s ILE 7 Ca -0.01 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 2fhm s ILE 7 Cb -0.01 -0.95 -0.03 0.00 -1.58 0.00 0.00 42.46 39.89 2fhm s ILE 7 CO -0.00 0.32 -0.04 0.68 -1.23 0.00 0.00 174.94 174.67 2fhm s VAL 8 N -0.25 0.27 0.01 2.92 -7.23 -0.14 -1.12 120.40 114.86 2fhm s VAL 8 Ca 0.04 -1.23 -0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2fhm s VAL 8 Cb -0.06 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 2fhm s VAL 8 CO -0.00 -0.62 -0.01 -0.62 -0.31 0.00 0.00 175.10 173.54 2fhm s ASP 9 N -1.94 0.17 0.00 4.85 2.15 -0.54 -1.36 116.67 120.01 2fhm s ASP 9 Ca -0.07 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.53 2fhm s ASP 9 Cb -0.05 0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 2fhm s ASP 9 CO -0.03 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2fhm n GLY 10 N 1.89 0.32 3.58 2.66 0.00 -1.26 -0.54 105.19 111.85 2fhm n GLY 10 Ca -0.21 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2fhm n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fhm s ARG 11 N -2.00 3.45 0.00 1.61 6.06 -0.58 -4.62 118.95 122.87 2fhm s ARG 11 Ca 0.00 -1.65 0.15 0.00 -2.50 0.00 0.00 55.73 51.72 2fhm s ARG 11 Cb 0.00 -5.43 0.14 0.00 0.06 0.00 0.00 34.95 29.73 2fhm s ARG 11 CO 0.00 -2.85 1.00 1.33 -2.50 0.00 0.00 175.30 172.28 2fhm n VAL 12 N 6.91 0.08 -3.94 7.11 0.24 -1.26 -1.26 118.33 126.21 2fhm n VAL 12 Ca 0.47 -0.54 -0.13 0.00 -2.04 0.00 0.00 64.34 62.10 2fhm n VAL 12 Cb 0.46 1.25 -0.14 0.00 -1.47 0.00 0.00 33.84 33.95 2fhm n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2fhm s GLN 13 N -1.23 0.12 0.00 7.34 -1.52 -1.26 -4.30 119.66 118.81 2fhm s GLN 13 Ca 0.19 -0.09 0.00 0.00 -1.95 0.00 0.00 55.36 53.50 2fhm s GLN 13 Cb 0.13 -0.09 0.00 0.00 -0.22 0.00 0.00 33.01 32.83 2fhm s GLN 13 CO 0.19 0.02 0.00 0.41 -0.25 0.00 0.00 175.29 175.66 2fhm n GLY 14 N 2.93 -0.62 3.56 3.09 0.00 -1.26 -4.96 105.19 107.93 2fhm n GLY 14 Ca -0.13 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 2fhm n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2fhm n VAL 15 N -1.09 0.12 -0.94 1.61 0.31 -1.26 -1.33 118.33 115.75 2fhm n VAL 15 Ca 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2fhm n VAL 15 Cb 0.00 -2.57 0.00 0.00 -0.91 0.00 0.00 33.84 30.36 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 5.96 0.51 0.18 2.92 0.00 -1.26 -4.92 105.19 108.58 2fhm n GLY 16 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.35 2fhm n GLY 16 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2fhm h PHE 17 N 0.00 0.17 0.00 1.61 0.04 -1.55 -0.68 116.94 116.53 2fhm h PHE 17 Ca 0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2fhm h PHE 17 Cb 0.16 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2fhm h PHE 17 CO 0.10 0.60 -0.25 0.07 -0.60 0.00 0.00 178.31 178.23 2fhm h ARG 18 N 0.11 0.00 -0.29 1.51 0.11 -1.77 -3.24 114.38 110.82 2fhm h ARG 18 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 2fhm h ARG 18 Cb 0.91 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.97 2fhm h ARG 18 CO 0.07 0.00 -0.33 -0.92 0.10 0.00 0.00 179.97 178.89 2fhm h TYR 19 N 0.00 0.73 -0.52 4.08 3.20 -1.58 -3.27 116.97 119.62 2fhm h TYR 19 Ca 0.00 -0.19 0.10 0.00 3.14 0.00 0.00 58.73 61.78 2fhm h TYR 19 Cb 0.88 -0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.91 2fhm h TYR 19 CO 0.00 0.88 0.04 0.35 -1.64 0.00 0.00 178.16 177.79 2fhm h PHE 20 N 0.53 0.05 -0.44 -3.82 3.57 -1.20 0.32 116.94 115.94 2fhm h PHE 20 Ca 0.06 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2fhm h PHE 20 Cb 0.82 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 2fhm h PHE 20 CO 0.04 -0.08 0.14 -0.39 -2.23 0.00 0.00 178.31 175.78 2fhm h VAL 21 N 0.16 1.18 0.00 1.41 -1.51 -1.71 -1.20 116.25 114.59 2fhm h VAL 21 Ca 0.26 -0.62 -0.06 0.00 -1.23 0.00 0.00 66.70 65.06 2fhm h VAL 21 Cb 0.39 0.70 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 2fhm h VAL 21 CO -0.40 0.23 -0.26 1.56 -1.23 0.00 0.00 177.57 177.47 2fhm h GLN 22 N 0.63 0.00 0.02 5.19 1.08 -1.10 0.14 115.11 121.07 2fhm h GLN 22 Ca 0.15 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2fhm h GLN 22 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2fhm h GLN 22 CO -0.01 0.26 -0.01 0.52 -0.95 0.00 0.00 178.83 178.65 2fhm h MET 23 N 0.00 -0.03 -0.84 1.46 2.86 -0.03 -1.35 114.93 117.00 2fhm h MET 23 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2fhm h MET 23 Cb 0.96 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 2fhm h MET 23 CO 0.03 0.19 0.46 0.93 1.06 0.00 0.00 176.91 179.58 2fhm h GLU 24 N -0.24 1.18 0.26 1.72 4.39 -0.83 0.19 114.58 121.24 2fhm h GLU 24 Ca -0.00 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 2fhm h GLU 24 Cb 0.23 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2fhm h GLU 24 CO 0.00 0.86 -0.20 0.00 -1.16 0.00 0.00 179.01 178.52 2fhm h ALA 25 N 1.32 -0.45 -0.40 3.43 0.00 -0.70 -1.53 119.26 120.93 2fhm h ALA 25 Ca 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2fhm h ALA 25 Cb 0.03 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2fhm h ALA 25 CO -0.05 -0.77 0.23 0.22 0.00 0.00 0.00 179.25 178.89 2fhm h ASP 26 N -0.47 0.49 -0.04 0.00 3.58 -0.82 0.91 116.42 120.08 2fhm h ASP 26 Ca -0.02 -0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.38 2fhm h ASP 26 Cb 0.41 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 2fhm h ASP 26 CO -0.01 0.41 0.05 0.50 -2.88 0.00 0.00 179.24 177.31 2fhm h LYS 27 N 0.52 0.00 -0.40 0.28 3.11 -0.87 -1.04 116.57 118.17 2fhm h LYS 27 Ca 0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 2fhm h LYS 27 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 2fhm h LYS 27 CO -0.03 0.00 0.00 0.54 -2.81 0.00 0.00 179.45 177.15 2fhm n ARG 28 N -3.74 3.03 -2.63 1.90 1.74 -0.59 -4.97 116.66 111.40 2fhm n ARG 28 Ca -0.02 -2.43 -0.13 0.00 -0.77 0.00 0.00 57.85 54.49 2fhm n ARG 28 Cb 0.14 -1.54 -0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2fhm n ARG 28 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2fhm n LYS 29 N 0.45 -2.57 -1.74 5.56 5.02 -0.40 -4.85 118.16 119.64 2fhm n LYS 29 Ca 0.17 0.53 -0.31 0.00 -2.02 0.00 0.00 58.31 56.68 2fhm n LYS 29 Cb 0.63 -5.14 0.03 0.00 -0.02 0.00 0.00 35.03 30.53 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2fhm s LEU 30 N -5.75 3.18 -0.11 -0.35 1.43 0.21 -4.81 118.68 112.48 2fhm s LEU 30 Ca 0.08 1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 54.64 2fhm s LEU 30 Cb -0.04 -4.47 0.05 0.00 0.03 0.00 0.00 46.19 41.76 2fhm s LEU 30 CO 0.10 -1.13 0.23 0.00 0.23 0.00 0.00 176.35 175.78 2fhm s ALA 31 N -3.12 -0.48 0.00 4.21 0.00 -0.75 -4.37 121.76 117.24 2fhm s ALA 31 Ca 0.56 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2fhm s ALA 31 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2fhm s ALA 31 CO 0.54 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.28 2fhm n GLY 32 N 4.85 -1.94 3.97 0.00 0.00 -0.84 -0.82 105.19 110.42 2fhm n GLY 32 Ca -0.15 -1.33 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.42 3.38 0.03 1.61 -2.14 0.26 -0.77 118.94 118.88 2fhm s TRP 33 Ca 0.00 -0.05 0.06 0.00 2.66 0.00 0.00 56.10 58.78 2fhm s TRP 33 Cb 0.00 -1.67 -0.02 0.00 -3.10 0.00 0.00 33.47 28.67 2fhm s TRP 33 CO 0.00 0.33 -0.19 0.54 -2.66 0.00 0.00 176.95 174.97 2fhm s VAL 34 N -2.04 1.53 0.02 -0.66 0.11 -0.35 -1.48 120.40 117.54 2fhm s VAL 34 Ca 0.37 -1.05 -0.11 0.00 -2.93 0.00 0.00 61.98 58.25 2fhm s VAL 34 Cb -0.09 -1.32 0.01 0.00 -1.53 0.00 0.00 36.38 33.45 2fhm s VAL 34 CO 0.30 0.24 0.23 -1.59 -3.33 0.00 0.00 175.10 170.94 2fhm s LYS 35 N -0.96 0.66 -0.06 1.54 -2.85 -0.48 -1.57 119.74 116.02 2fhm s LYS 35 Ca 0.07 -0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 54.28 2fhm s LYS 35 Cb -0.08 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 2fhm s LYS 35 CO 0.01 -0.19 1.35 1.21 0.10 0.00 0.00 175.35 177.83 2fhm s ASN 36 N -1.75 6.90 0.04 0.03 3.84 -1.26 -1.37 114.94 121.37 2fhm s ASN 36 Ca -0.09 1.95 -0.28 0.00 0.21 0.00 0.00 52.86 54.64 2fhm s ASN 36 Cb -0.03 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.07 2fhm s ASN 36 CO -0.01 -0.72 0.91 -0.60 -2.79 0.00 0.00 177.10 173.89 2fhm s ARG 37 N 2.83 4.58 0.53 0.43 3.52 0.23 -4.89 118.95 126.19 2fhm s ARG 37 Ca 0.61 1.31 0.20 0.00 -0.13 0.00 0.00 55.73 57.72 2fhm s ARG 37 Cb -0.28 -3.41 1.36 0.00 -1.56 0.00 0.00 34.95 31.06 2fhm s ARG 37 CO 0.23 0.11 2.11 0.22 -0.81 0.00 0.00 175.30 177.16 2fhm h ASP 38 N 6.17 0.00 0.93 -2.12 3.58 -1.96 0.03 116.42 123.05 2fhm h ASP 38 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2fhm h ASP 38 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2fhm h ASP 38 CO 0.73 0.00 0.00 -2.24 -2.88 0.00 0.00 179.24 174.85 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 2.03 -2.04 -3.46 116.42 115.23 2fhm h ASP 39 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 2fhm h ASP 39 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 2fhm h ASP 39 CO -0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2fhm n GLY 40 N 0.11 1.43 3.59 7.15 0.00 -0.01 -5.13 105.19 112.33 2fhm n GLY 40 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -0.99 0.05 1.61 3.00 -1.22 -4.82 118.95 116.58 2fhm s ARG 41 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 55.73 55.90 2fhm s ARG 41 Cb 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 34.95 33.31 2fhm s ARG 41 CO 0.00 -3.58 -0.22 0.08 0.00 0.00 0.00 175.30 171.57 2fhm s VAL 42 N -2.95 2.46 0.01 3.52 1.01 -0.46 -0.60 120.40 123.40 2fhm s VAL 42 Ca 0.70 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2fhm s VAL 42 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2fhm s VAL 42 CO 0.57 0.34 -0.20 -0.70 0.00 0.00 0.00 175.10 175.11 2fhm s GLU 43 N -1.38 2.14 -0.03 2.72 2.12 -0.47 -0.97 118.70 122.84 2fhm s GLU 43 Ca 0.13 -0.93 0.01 0.00 0.36 0.00 0.00 54.97 54.55 2fhm s GLU 43 Cb -0.10 -2.18 0.01 0.00 0.26 0.00 0.00 34.13 32.12 2fhm s GLU 43 CO 0.04 0.56 -0.04 0.42 -0.54 0.00 0.00 175.26 175.70 2fhm s ILE 44 N -0.82 0.40 -0.19 -3.70 1.01 -0.26 -1.39 121.20 116.26 2fhm s ILE 44 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 2fhm s ILE 44 Cb -0.10 -0.41 0.09 0.00 0.01 0.00 0.00 42.46 42.05 2fhm s ILE 44 CO 0.03 0.17 0.36 -0.22 0.00 0.00 0.00 174.94 175.28 2fhm s LEU 45 N 0.56 -0.54 -0.03 2.97 0.20 -0.55 -0.59 118.68 120.71 2fhm s LEU 45 Ca -0.07 0.66 -0.21 0.00 0.69 0.00 0.00 54.13 55.21 2fhm s LEU 45 Cb -0.10 1.10 0.04 0.00 -0.43 0.00 0.00 46.19 46.80 2fhm s LEU 45 CO -0.00 -0.25 0.45 0.00 -0.29 0.00 0.00 176.35 176.25 2fhm s ALA 46 N 2.54 -1.16 0.41 5.97 0.00 -1.12 -0.58 121.76 127.83 2fhm s ALA 46 Ca 0.03 0.70 -0.07 0.00 0.00 0.00 0.00 51.96 52.63 2fhm s ALA 46 Cb -0.13 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2fhm s ALA 46 CO -0.12 -0.30 0.72 -1.83 0.00 0.00 0.00 175.76 174.23 2fhm s GLU 47 N -1.27 3.63 0.00 0.00 -1.05 0.00 -1.26 118.70 118.76 2fhm s GLU 47 Ca -0.13 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 2fhm s GLU 47 Cb -0.03 -2.45 0.00 0.00 -0.44 0.00 0.00 34.13 31.21 2fhm s GLU 47 CO 0.06 -0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.63 2fhm n GLY 48 N -1.67 -0.22 3.78 -3.83 0.00 -0.21 -1.82 105.19 101.22 2fhm n GLY 48 Ca 0.00 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 2.97 0.16 1.61 0.04 -1.26 -1.95 135.00 134.57 2fhm s PRO 49 Ca 0.00 1.41 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 2fhm s PRO 49 Cb 0.00 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.65 2fhm s PRO 49 CO 0.00 -1.12 1.72 1.49 0.04 0.00 0.00 177.00 179.14 2fhm h GLU 50 N 0.31 0.17 -0.62 4.56 4.81 -1.97 -1.29 114.58 120.55 2fhm h GLU 50 Ca -0.47 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 2fhm h GLU 50 Cb 1.25 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2fhm h GLU 50 CO 0.55 0.11 0.15 -0.97 -0.73 0.00 0.00 179.01 178.12 2fhm h ASN 51 N 0.18 0.92 -0.34 1.04 -1.24 -1.99 0.13 115.58 114.28 2fhm h ASN 51 Ca 0.18 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 2fhm h ASN 51 Cb 0.21 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 2fhm h ASN 51 CO -0.24 0.89 0.12 0.00 -1.29 0.00 0.00 177.43 176.91 2fhm h ALA 52 N 1.23 0.44 -0.22 1.57 0.00 -1.73 -0.37 119.26 120.19 2fhm h ALA 52 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2fhm h ALA 52 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2fhm h ALA 52 CO -0.00 0.06 0.12 -0.07 0.00 0.00 0.00 179.25 179.36 2fhm h LEU 53 N 0.40 0.28 -0.52 0.00 3.38 -0.73 -0.69 115.31 117.43 2fhm h LEU 53 Ca 0.11 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2fhm h LEU 53 Cb 0.21 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2fhm h LEU 53 CO -0.01 0.29 -0.12 1.56 0.09 0.00 0.00 178.44 180.25 2fhm h GLN 54 N 0.25 0.99 -0.32 1.13 1.08 -0.91 -1.17 115.11 116.16 2fhm h GLN 54 Ca 0.08 -0.38 -0.10 0.00 -1.45 0.00 0.00 58.65 56.80 2fhm h GLN 54 Cb 0.07 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2fhm h GLN 54 CO -0.01 1.05 -0.21 0.77 -0.95 0.00 0.00 178.83 179.48 2fhm h SER 55 N 0.86 0.60 -0.32 1.46 0.02 -0.93 -0.82 113.55 114.42 2fhm h SER 55 Ca 0.13 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2fhm h SER 55 Cb 0.68 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2fhm h SER 55 CO 0.05 0.81 0.19 0.15 -1.14 0.00 0.00 176.83 176.89 2fhm h PHE 56 N 0.53 0.36 -0.77 3.45 3.04 -0.92 -0.99 116.94 121.64 2fhm h PHE 56 Ca 0.08 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.09 2fhm h PHE 56 Cb 0.66 -0.12 -0.06 0.00 2.56 0.00 0.00 35.95 38.99 2fhm h PHE 56 CO 0.03 0.22 0.47 0.28 -2.02 0.00 0.00 178.31 177.28 2fhm h VAL 57 N 0.39 1.04 -0.84 1.41 2.07 -0.35 -0.46 116.25 119.51 2fhm h VAL 57 Ca 0.12 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2fhm h VAL 57 Cb -0.01 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 2fhm h VAL 57 CO -0.05 0.16 0.49 -0.33 0.02 0.00 0.00 177.57 177.86 2fhm h GLU 58 N 0.87 1.15 -0.94 1.57 5.08 -0.90 0.03 114.58 121.45 2fhm h GLU 58 Ca 0.33 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2fhm h GLU 58 Cb 0.14 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 2fhm h GLU 58 CO -0.16 0.83 0.62 0.00 -1.00 0.00 0.00 179.01 179.30 2fhm h ALA 59 N 1.26 1.20 0.39 3.43 0.00 0.10 0.35 119.26 125.99 2fhm h ALA 59 Ca 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2fhm h ALA 59 Cb -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2fhm h ALA 59 CO -0.05 0.57 -0.19 0.28 0.00 0.00 0.00 179.25 179.86 2fhm h VAL 60 N 1.25 0.57 -0.81 0.00 2.07 -0.63 -3.19 116.25 115.52 2fhm h VAL 60 Ca 0.35 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2fhm h VAL 60 Cb -0.12 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2fhm h VAL 60 CO -0.08 0.08 0.54 0.11 0.02 0.00 0.00 177.57 178.23 2fhm h LYS 61 N -0.81 1.01 0.00 1.57 1.57 -0.71 -0.90 116.57 118.31 2fhm h LYS 61 Ca -0.05 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2fhm h LYS 61 Cb 0.53 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2fhm h LYS 61 CO 0.09 0.67 -0.12 -0.97 -0.57 0.00 0.00 179.45 178.54 2fhm h ASN 62 N 1.04 0.00 -6.04 0.86 -1.24 -1.01 -3.43 115.58 105.76 2fhm h ASN 62 Ca 0.31 0.00 -0.42 0.00 0.71 0.00 0.00 56.30 56.90 2fhm h ASN 62 Cb -0.02 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.09 2fhm h ASN 62 CO -0.08 0.12 -0.75 0.61 -1.29 0.00 0.00 177.43 176.04 2fhm n GLY 63 N -0.39 -0.46 0.21 1.57 0.00 -0.34 -4.92 105.19 100.86 2fhm n GLY 63 Ca -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.23 -0.34 0.16 1.61 0.02 -1.74 -3.31 113.55 107.72 2fhm h SER 64 Ca -0.58 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 2fhm h SER 64 Cb 1.37 0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.18 2fhm h SER 64 CO 0.60 -0.13 -0.08 1.55 -1.14 0.00 0.00 176.83 177.63 2fhm h PRO 65 N 0.06 -0.21 0.00 3.45 0.13 -1.91 -3.48 132.00 130.04 2fhm h PRO 65 Ca 0.27 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 2fhm h PRO 65 Cb 0.41 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2fhm h PRO 65 CO -0.49 -0.08 0.00 0.34 -0.23 0.00 0.00 178.00 177.53 2fhm n PHE 66 N -4.92 -0.81 -1.67 1.56 -0.00 -1.25 -5.12 117.46 105.25 2fhm n PHE 66 Ca -0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.03 2fhm n PHE 66 Cb 0.11 0.16 0.04 0.00 -0.00 0.00 0.00 39.48 39.80 2fhm n PHE 66 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2fhm n SER 67 N -1.89 1.72 -3.64 -2.13 3.41 -1.26 -4.99 113.62 104.84 2fhm n SER 67 Ca 0.00 0.93 -0.10 0.00 -0.26 0.00 0.00 58.87 59.44 2fhm n SER 67 Cb 0.00 -1.46 -0.04 0.00 -0.26 0.00 0.00 64.21 62.45 2fhm n SER 67 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2fhm s LYS 68 N -2.64 1.29 0.10 4.33 -2.85 -0.39 -4.24 119.74 115.33 2fhm s LYS 68 Ca 0.71 -0.74 0.08 0.00 -1.00 0.00 0.00 55.97 55.02 2fhm s LYS 68 Cb -0.45 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 35.81 2fhm s LYS 68 CO 0.50 -0.54 -0.15 0.14 0.10 0.00 0.00 175.35 175.40 2fhm s VAL 69 N -3.83 3.03 0.00 1.79 -7.23 -1.26 -1.52 120.40 111.38 2fhm s VAL 69 Ca 0.06 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2fhm s VAL 69 Cb -0.00 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2fhm s VAL 69 CO -0.07 0.16 0.04 0.35 -0.31 0.00 0.00 175.10 175.27 2fhm n THR 70 N 0.93 0.00 -3.74 5.32 -2.24 0.30 -4.92 114.28 109.93 2fhm n THR 70 Ca -0.15 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.03 2fhm n THR 70 Cb 0.52 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.84 -0.34 -0.09 3.42 2.15 -0.95 -5.00 116.67 115.01 2fhm s ASP 71 Ca 0.00 0.57 -0.10 0.00 0.43 0.00 0.00 52.55 53.45 2fhm s ASP 71 Cb 0.00 0.63 0.03 0.00 -0.30 0.00 0.00 42.92 43.28 2fhm s ASP 71 CO 0.00 -0.23 0.27 -0.51 -0.17 0.00 0.00 175.17 174.52 2fhm s ILE 72 N -0.27 0.01 0.01 4.11 2.07 -1.26 -1.47 121.20 124.39 2fhm s ILE 72 Ca -0.04 -0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.16 2fhm s ILE 72 Cb -0.03 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 2fhm s ILE 72 CO 0.02 -0.03 -0.05 -0.44 -1.91 0.00 0.00 174.94 172.53 2fhm s SER 73 N 0.01 0.62 0.02 4.50 0.01 -0.27 -5.02 113.70 113.56 2fhm s SER 73 Ca -0.01 -0.24 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 2fhm s SER 73 Cb -0.02 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2fhm s SER 73 CO 0.01 -0.04 -0.02 -0.69 0.41 0.00 0.00 173.24 172.91 2fhm s VAL 74 N -0.54 0.09 0.14 3.43 1.01 -1.26 -1.24 120.40 122.02 2fhm s VAL 74 Ca -0.02 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.30 2fhm s VAL 74 Cb -0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2fhm s VAL 74 CO -0.00 -0.40 -0.16 -0.89 0.00 0.00 0.00 175.10 173.65 2fhm s THR 75 N -1.16 1.55 0.02 3.92 2.01 0.34 -4.98 115.64 117.34 2fhm s THR 75 Ca -0.13 -1.77 0.03 0.00 0.31 0.00 0.00 61.69 60.13 2fhm s THR 75 Cb -0.08 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 2fhm s THR 75 CO -0.01 -0.34 -0.10 -1.61 -0.69 0.00 0.00 174.62 171.88 2fhm s GLU 76 N -2.63 0.72 0.28 4.92 0.41 -1.26 -1.18 118.70 119.96 2fhm s GLU 76 Ca 0.11 -0.52 -0.19 0.00 -0.41 0.00 0.00 54.97 53.96 2fhm s GLU 76 Cb -0.06 -0.67 0.02 0.00 -1.78 0.00 0.00 34.13 31.64 2fhm s GLU 76 CO 0.05 0.17 0.68 -1.12 -0.49 0.00 0.00 175.26 174.54 2fhm s SER 77 N -0.74 -0.19 0.00 -0.19 0.01 -0.19 -4.99 113.70 107.41 2fhm s SER 77 Ca 0.00 -0.72 0.19 0.00 1.31 0.00 0.00 55.95 56.73 2fhm s SER 77 Cb -0.06 0.71 0.68 0.00 0.21 0.00 0.00 66.02 67.56 2fhm s SER 77 CO 0.00 -1.34 1.49 0.54 0.41 0.00 0.00 173.24 174.35 2fhm n ARG 78 N -0.45 1.70 -1.52 12.44 3.00 -1.26 -0.48 116.66 130.09 2fhm n ARG 78 Ca -0.04 -1.06 -0.39 0.00 -0.01 0.00 0.00 57.85 56.35 2fhm n ARG 78 Cb 0.60 -1.36 -0.05 0.00 0.00 0.00 0.00 32.46 31.64 2fhm n ARG 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2fhm n SER 79 N 0.30 2.90 -4.70 0.55 7.64 -1.26 -4.79 113.62 114.26 2fhm n SER 79 Ca 0.15 -2.71 -0.42 0.00 1.01 0.00 0.00 58.87 56.90 2fhm n SER 79 Cb 0.31 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2fhm n SER 79 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2fhm n LEU 80 N 9.33 3.73 0.17 -3.43 4.32 -1.26 -4.69 117.00 125.17 2fhm n LEU 80 Ca 0.48 1.17 0.06 0.00 -0.02 0.00 0.00 56.01 57.71 2fhm n LEU 80 Cb 0.42 -1.49 0.13 0.00 -1.62 0.00 0.00 43.42 40.86 2fhm n LEU 80 CO 0.92 -0.53 0.60 -0.33 -1.22 0.00 0.00 177.39 176.83 2fhm h GLU 81 N 2.39 0.00 -2.84 3.23 4.39 -1.92 -3.48 114.58 116.35 2fhm h GLU 81 Ca -0.47 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.14 2fhm h GLU 81 Cb 1.29 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.98 2fhm h GLU 81 CO 0.62 0.35 -0.20 0.41 -1.16 0.00 0.00 179.01 179.02 2fhm n GLY 82 N 1.02 0.29 3.29 -3.84 0.00 -1.26 -5.09 105.19 99.61 2fhm n GLY 82 Ca 0.02 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 2fhm n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fhm s HIS 83 N -3.09 1.65 0.00 1.61 3.76 -1.26 -5.07 115.29 112.89 2fhm s HIS 83 Ca 0.03 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2fhm s HIS 83 Cb -0.01 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.84 2fhm s HIS 83 CO 0.19 0.25 0.51 0.72 -0.85 0.00 0.00 174.74 175.56 2fhm n HIS 84 N 0.41 0.00 -3.95 1.40 8.25 -1.26 -4.79 115.22 115.28 2fhm n HIS 84 Ca -0.14 -0.07 -0.10 0.00 -0.26 0.00 0.00 57.72 57.15 2fhm n HIS 84 Cb 0.57 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.61 2fhm n HIS 84 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2fhm s ARG 85 N -0.15 1.27 0.73 -0.41 1.70 -1.26 -4.95 118.95 115.88 2fhm s ARG 85 Ca 0.00 -1.18 -0.11 0.00 -0.47 0.00 0.00 55.73 53.97 2fhm s ARG 85 Cb 0.00 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.82 2fhm s ARG 85 CO 0.00 -0.49 1.08 -0.59 -1.08 0.00 0.00 175.30 174.22 2fhm s PHE 86 N -3.98 3.11 0.03 5.89 -0.12 -1.26 -1.99 117.98 119.66 2fhm s PHE 86 Ca 0.18 1.20 -0.00 0.00 -0.05 0.00 0.00 56.93 58.26 2fhm s PHE 86 Cb 0.02 -3.01 -0.02 0.00 -0.63 0.00 0.00 43.02 39.38 2fhm s PHE 86 CO 0.02 -1.38 -0.03 -1.12 -0.05 0.00 0.00 175.22 172.67 2fhm s SER 87 N -4.03 0.30 -0.12 1.98 0.01 0.05 -4.83 113.70 107.06 2fhm s SER 87 Ca 0.59 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 2fhm s SER 87 Cb -0.13 0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.27 2fhm s SER 87 CO 0.54 -0.38 0.01 -0.63 0.41 0.00 0.00 173.24 173.19 2fhm s ILE 88 N -2.09 0.44 0.34 1.44 1.01 -1.26 -1.21 121.20 119.87 2fhm s ILE 88 Ca -0.10 -0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 2fhm s ILE 88 Cb -0.05 -0.72 -0.10 0.00 0.01 0.00 0.00 42.46 41.60 2fhm s ILE 88 CO -0.03 0.09 0.98 -0.69 0.00 0.00 0.00 174.94 175.29 2fhm s VAL 89 N 1.93 4.07 0.00 2.92 1.01 -0.61 -4.96 120.40 124.76 2fhm s VAL 89 Ca 0.03 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.70 2fhm s VAL 89 Cb -0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2fhm s VAL 89 CO -0.06 0.11 0.42 -1.22 0.00 0.00 0.00 175.10 174.35 2fhm n TYR 90 N 0.42 0.00 0.00 5.22 4.01 -1.26 -4.81 117.16 120.75 2fhm n TYR 90 Ca 0.03 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2fhm n TYR 90 Cb 0.50 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83