#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fhm n LEU 2 N 0.00 0.00 -3.86 4.03 7.94 -0.17 -4.77 117.00 120.17 2fhm n LEU 2 Ca 0.00 -2.01 -0.11 0.00 -1.11 0.00 0.00 56.01 52.78 2fhm n LEU 2 Cb 0.00 2.21 -0.09 0.00 0.53 0.00 0.00 43.42 46.07 2fhm n LEU 2 CO 0.00 -0.53 -0.12 -1.58 -1.11 0.00 0.00 177.39 174.04 2fhm s GLN 3 N -2.39 0.64 0.37 1.96 0.74 0.24 -1.27 119.66 119.95 2fhm s GLN 3 Ca 0.18 -0.59 0.08 0.00 0.05 0.00 0.00 55.36 55.08 2fhm s GLN 3 Cb -0.02 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.31 2fhm s GLN 3 CO 0.13 -0.18 0.13 1.52 -0.55 0.00 0.00 175.29 176.34 2fhm s TYR 4 N -2.30 2.64 -0.02 1.67 -0.85 -0.36 -1.71 117.35 116.43 2fhm s TYR 4 Ca -0.07 -0.46 0.03 0.00 -0.52 0.00 0.00 57.07 56.04 2fhm s TYR 4 Cb -0.02 -1.72 -0.00 0.00 0.38 0.00 0.00 41.96 40.59 2fhm s TYR 4 CO -0.03 0.31 -0.10 0.50 -1.52 0.00 0.00 175.55 174.71 2fhm s ARG 5 N -3.84 0.91 0.03 -3.49 3.52 -0.07 -2.97 118.95 113.03 2fhm s ARG 5 Ca 0.38 -0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 2fhm s ARG 5 Cb 0.00 -0.86 -0.02 0.00 -1.56 0.00 0.00 34.95 32.51 2fhm s ARG 5 CO 0.22 0.19 -0.07 0.42 -0.81 0.00 0.00 175.30 175.25 2fhm s ILE 6 N -0.08 0.47 0.03 4.11 1.01 -0.06 -0.38 121.20 126.30 2fhm s ILE 6 Ca 0.01 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.92 2fhm s ILE 6 Cb -0.06 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 2fhm s ILE 6 CO -0.00 -0.23 -0.15 0.27 0.00 0.00 0.00 174.94 174.82 2fhm s ILE 7 N -0.99 1.22 0.03 2.92 -0.00 -0.47 -0.86 121.20 123.05 2fhm s ILE 7 Ca -0.07 -0.98 0.01 0.00 -0.00 0.00 0.00 60.65 59.61 2fhm s ILE 7 Cb -0.07 -1.08 -0.02 0.00 -0.00 0.00 0.00 42.46 41.28 2fhm s ILE 7 CO 0.00 0.09 -0.05 0.68 -0.00 0.00 0.00 174.94 175.66 2fhm s VAL 8 N -0.77 0.28 0.01 8.37 -7.23 -0.11 -1.38 120.40 119.58 2fhm s VAL 8 Ca 0.03 -1.13 -0.04 0.00 -1.81 0.00 0.00 61.98 59.03 2fhm s VAL 8 Cb -0.08 -0.60 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 2fhm s VAL 8 CO 0.01 -0.55 0.07 -0.62 -0.31 0.00 0.00 175.10 173.70 2fhm s ASP 9 N -1.76 0.12 0.00 4.85 2.15 -0.61 -1.36 116.67 120.06 2fhm s ASP 9 Ca -0.10 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 52.53 2fhm s ASP 9 Cb -0.07 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 2fhm s ASP 9 CO -0.02 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 2fhm n GLY 10 N 1.47 0.42 2.46 2.66 0.00 -1.26 -0.46 105.19 110.48 2fhm n GLY 10 Ca -0.23 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 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 3.39 -0.15 1.61 0.63 -0.52 -4.64 116.66 116.97 2fhm n ARG 11 Ca 0.00 -2.31 0.07 0.00 -0.92 0.00 0.00 57.85 54.69 2fhm n ARG 11 Cb 0.00 -2.95 0.20 0.00 0.45 0.00 0.00 32.46 30.16 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 4.09 0.40 -3.83 5.15 0.24 -1.21 -1.49 118.33 121.69 2fhm n VAL 12 Ca 0.70 -0.43 -0.09 0.00 -2.04 0.00 0.00 64.34 62.48 2fhm n VAL 12 Cb 0.28 0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.84 2fhm n VAL 12 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2fhm s GLN 13 N -1.60 0.98 0.00 7.34 2.00 -1.26 -4.64 119.66 122.48 2fhm s GLN 13 Ca 0.25 -0.95 0.00 0.00 -2.00 0.00 0.00 55.36 52.66 2fhm s GLN 13 Cb 0.13 0.38 0.00 0.00 0.80 0.00 0.00 33.01 34.32 2fhm s GLN 13 CO 0.18 -0.34 0.00 0.41 -0.50 0.00 0.00 175.29 175.03 2fhm n GLY 14 N -0.14 -0.42 0.30 2.59 0.00 -1.26 -4.95 105.19 101.31 2fhm n GLY 14 Ca -0.13 -1.05 0.15 0.00 0.00 0.00 0.00 46.02 44.99 2fhm n GLY 14 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2fhm h VAL 15 N 0.00 0.52 0.00 1.61 -1.51 -2.01 0.63 116.25 115.48 2fhm h VAL 15 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2fhm h VAL 15 Cb 0.00 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 2fhm h VAL 15 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 2fhm n GLY 16 N -1.25 -1.03 3.25 5.19 0.00 -1.26 -4.94 105.19 105.16 2fhm n GLY 16 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2fhm n GLY 16 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2fhm n PHE 17 N -1.22 0.00 -0.22 1.61 7.35 0.21 -1.03 117.46 124.16 2fhm n PHE 17 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 2fhm n PHE 17 Cb 0.17 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.00 2fhm n PHE 17 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2fhm n ARG 18 N -0.82 -0.43 -0.27 -4.13 1.85 -1.26 -4.69 116.66 106.91 2fhm n ARG 18 Ca 0.00 0.04 0.02 0.00 -1.00 0.00 0.00 57.85 56.91 2fhm n ARG 18 Cb 0.00 -2.51 0.23 0.00 -1.05 0.00 0.00 32.46 29.13 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 1.02 -0.92 2.89 3.20 -1.47 -2.55 116.97 119.13 2fhm h TYR 19 Ca 0.00 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.98 2fhm h TYR 19 Cb 0.08 -0.34 -0.07 0.00 1.54 0.00 0.00 36.73 37.93 2fhm h TYR 19 CO 0.05 0.60 0.57 0.27 -1.64 0.00 0.00 178.16 178.01 2fhm h PHE 20 N 1.06 1.04 -0.47 -3.82 -5.15 -1.58 0.91 116.94 108.93 2fhm h PHE 20 Ca 0.33 0.03 0.03 0.00 -0.20 0.00 0.00 57.97 58.16 2fhm h PHE 20 Cb 0.01 -0.33 -0.04 0.00 0.22 0.00 0.00 35.95 35.81 2fhm h PHE 20 CO -0.00 0.47 0.26 0.28 -2.00 0.00 0.00 178.31 177.32 2fhm h VAL 21 N 0.98 1.01 0.00 0.88 2.07 -1.74 -1.46 116.25 117.98 2fhm h VAL 21 Ca 0.43 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2fhm h VAL 21 Cb 0.31 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2fhm h VAL 21 CO -0.22 0.09 0.00 1.56 0.02 0.00 0.00 177.57 179.02 2fhm h GLN 22 N 0.52 0.00 -0.15 1.57 1.08 -1.06 0.43 115.11 117.50 2fhm h GLN 22 Ca 0.20 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2fhm h GLN 22 Cb 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2fhm h GLN 22 CO -0.11 0.00 0.02 0.52 -0.95 0.00 0.00 178.83 178.31 2fhm h MET 23 N 0.00 0.25 0.00 1.46 2.86 -0.10 -0.78 114.93 118.62 2fhm h MET 23 Ca 0.00 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2fhm h MET 23 Cb 0.77 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 2fhm h MET 23 CO 0.00 0.43 -0.16 0.93 1.06 0.00 0.00 176.91 179.17 2fhm h GLU 24 N 0.03 0.00 0.04 1.72 4.39 -0.68 0.51 114.58 120.59 2fhm h GLU 24 Ca 0.05 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2fhm h GLU 24 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2fhm h GLU 24 CO 0.00 0.16 -0.02 0.00 -1.16 0.00 0.00 179.01 178.00 2fhm h ALA 25 N 1.84 -0.05 -0.90 3.43 0.00 -0.84 -3.20 119.26 119.52 2fhm h ALA 25 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2fhm h ALA 25 Cb 0.65 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2fhm h ALA 25 CO 0.02 -0.32 0.52 0.22 0.00 0.00 0.00 179.25 179.69 2fhm h ASP 26 N -0.47 1.10 0.38 0.00 3.58 -0.58 0.03 116.42 120.46 2fhm h ASP 26 Ca -0.01 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2fhm h ASP 26 Cb 0.43 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2fhm h ASP 26 CO 0.01 0.86 0.00 2.29 -2.88 0.00 0.00 179.24 179.52 2fhm n LYS 27 N -4.35 0.16 -0.08 0.28 -0.00 0.12 -0.94 118.16 113.35 2fhm n LYS 27 Ca 0.10 0.51 0.03 0.00 -0.00 0.00 0.00 58.31 58.95 2fhm n LYS 27 Cb 0.08 -1.88 0.07 0.00 -0.00 0.00 0.00 35.03 33.29 2fhm n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2fhm n ARG 28 N -2.19 2.82 -4.49 -1.58 5.12 -0.59 -5.01 116.66 110.75 2fhm n ARG 28 Ca 0.01 -1.81 -0.42 0.00 -1.93 0.00 0.00 57.85 53.70 2fhm n ARG 28 Cb 0.13 -1.16 -0.07 0.00 -1.16 0.00 0.00 32.46 30.20 2fhm n ARG 28 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2fhm n LYS 29 N -0.27 -1.11 -1.34 5.56 4.76 -0.12 -4.93 118.16 120.71 2fhm n LYS 29 Ca 0.06 0.18 -0.30 0.00 -2.87 0.00 0.00 58.31 55.37 2fhm n LYS 29 Cb 0.36 -4.75 0.11 0.00 -1.84 0.00 0.00 35.03 28.91 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fhm s LEU 30 N -7.26 2.62 -0.04 -0.35 1.43 -0.33 -4.96 118.68 109.79 2fhm s LEU 30 Ca 0.80 1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 55.42 2fhm s LEU 30 Cb -0.46 -4.12 0.03 0.00 0.03 0.00 0.00 46.19 41.67 2fhm s LEU 30 CO 1.01 -2.20 0.08 0.00 0.23 0.00 0.00 176.35 175.47 2fhm s ALA 31 N -2.99 -0.10 0.00 4.21 0.00 -1.11 -4.60 121.76 117.17 2fhm s ALA 31 Ca 0.62 0.43 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2fhm s ALA 31 Cb -0.16 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2fhm s ALA 31 CO 0.56 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2fhm n GLY 32 N 4.00 -0.76 3.27 0.00 0.00 -0.53 -0.82 105.19 110.35 2fhm n GLY 32 Ca -0.25 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.00 1.35 0.01 1.61 1.48 0.29 -0.98 118.94 119.69 2fhm s TRP 33 Ca 0.00 -1.14 0.03 0.00 -1.06 0.00 0.00 56.10 53.93 2fhm s TRP 33 Cb 0.00 -0.77 -0.01 0.00 -1.16 0.00 0.00 33.47 31.53 2fhm s TRP 33 CO 0.00 -0.33 -0.10 0.54 -4.06 0.00 0.00 176.95 173.00 2fhm s VAL 34 N -3.77 0.76 0.06 -0.66 0.11 -0.41 -1.57 120.40 114.92 2fhm s VAL 34 Ca 0.32 -0.62 -0.08 0.00 -2.93 0.00 0.00 61.98 58.67 2fhm s VAL 34 Cb 0.07 -0.68 -0.00 0.00 -1.53 0.00 0.00 36.38 34.24 2fhm s VAL 34 CO 0.09 0.06 0.16 -0.75 -3.33 0.00 0.00 175.10 171.33 2fhm s LYS 35 N -0.63 0.73 -0.16 1.54 2.20 0.06 -0.93 119.74 122.56 2fhm s LYS 35 Ca 0.01 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.80 2fhm s LYS 35 Cb -0.05 0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 2fhm s LYS 35 CO 0.00 -0.21 -0.20 1.21 -0.36 0.00 0.00 175.35 175.79 2fhm s ASN 36 N -2.48 3.22 0.58 1.43 3.84 -0.08 -0.89 114.94 120.55 2fhm s ASN 36 Ca 0.00 -0.60 -0.14 0.00 0.21 0.00 0.00 52.86 52.33 2fhm s ASN 36 Cb 0.02 -1.48 -0.05 0.00 -0.55 0.00 0.00 41.25 39.19 2fhm s ASN 36 CO -0.07 0.05 1.02 -0.13 -2.79 0.00 0.00 177.10 175.17 2fhm s ARG 37 N 1.00 3.65 0.47 0.43 0.52 0.16 -4.78 118.95 120.40 2fhm s ARG 37 Ca -0.02 0.93 0.14 0.00 -0.52 0.00 0.00 55.73 56.26 2fhm s ARG 37 Cb -0.15 -2.09 1.10 0.00 0.52 0.00 0.00 34.95 34.33 2fhm s ARG 37 CO -0.06 -0.53 2.07 0.22 0.02 0.00 0.00 175.30 177.03 2fhm h ASP 38 N 0.32 0.07 0.35 0.23 3.58 -1.99 -1.05 116.42 117.93 2fhm h ASP 38 Ca -0.46 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2fhm h ASP 38 Cb 1.19 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2fhm h ASP 38 CO 0.61 0.13 0.00 -0.90 -2.88 0.00 0.00 179.24 176.19 2fhm n ASP 39 N -4.44 0.00 0.00 2.28 5.75 -1.26 -4.91 116.55 113.97 2fhm n ASP 39 Ca -0.02 -0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 2fhm n ASP 39 Cb 0.15 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 2fhm n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fhm n GLY 40 N 0.56 2.79 3.76 6.12 0.00 -0.40 -5.07 105.19 112.94 2fhm n GLY 40 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.44 3.37 0.19 1.61 0.52 -1.26 -4.68 118.95 118.26 2fhm s ARG 41 Ca 0.00 2.24 -0.20 0.00 -0.52 0.00 0.00 55.73 57.25 2fhm s ARG 41 Cb 0.00 -2.40 -0.08 0.00 0.52 0.00 0.00 34.95 33.00 2fhm s ARG 41 CO 0.00 -1.01 0.69 0.08 0.02 0.00 0.00 175.30 175.08 2fhm s VAL 42 N -1.30 4.60 0.04 3.52 1.01 -0.46 -0.66 120.40 127.15 2fhm s VAL 42 Ca 0.67 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.96 2fhm s VAL 42 Cb -0.40 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2fhm s VAL 42 CO 0.49 0.29 -0.13 -0.70 0.00 0.00 0.00 175.10 175.05 2fhm s GLU 43 N -1.78 0.85 0.01 2.72 2.12 -0.07 -0.94 118.70 121.61 2fhm s GLU 43 Ca 0.40 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 55.02 2fhm s GLU 43 Cb -0.17 -0.83 -0.01 0.00 0.26 0.00 0.00 34.13 33.38 2fhm s GLU 43 CO 0.21 0.20 -0.02 0.42 -0.54 0.00 0.00 175.26 175.54 2fhm s ILE 44 N -0.85 0.09 -0.16 -3.70 1.01 -0.04 -0.76 121.20 116.79 2fhm s ILE 44 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 2fhm s ILE 44 Cb -0.08 -0.13 0.07 0.00 0.01 0.00 0.00 42.46 42.33 2fhm s ILE 44 CO 0.01 -0.13 0.36 -0.22 0.00 0.00 0.00 174.94 174.96 2fhm s LEU 45 N -0.45 -0.19 0.02 2.97 0.20 -0.61 -0.88 118.68 119.75 2fhm s LEU 45 Ca -0.04 0.80 -0.25 0.00 0.69 0.00 0.00 54.13 55.33 2fhm s LEU 45 Cb -0.03 1.13 0.06 0.00 -0.43 0.00 0.00 46.19 46.91 2fhm s LEU 45 CO -0.00 -0.21 0.56 0.00 -0.29 0.00 0.00 176.35 176.41 2fhm s ALA 46 N 1.88 -1.45 0.26 5.97 0.00 -1.16 -0.55 121.76 126.71 2fhm s ALA 46 Ca -0.06 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 2fhm s ALA 46 Cb -0.10 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 2fhm s ALA 46 CO -0.11 -0.47 0.51 -1.83 0.00 0.00 0.00 175.76 173.85 2fhm s GLU 47 N -2.10 3.60 0.00 0.00 -1.05 -0.00 -1.22 118.70 117.92 2fhm s GLU 47 Ca -0.07 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 2fhm s GLU 47 Cb -0.01 -2.70 0.00 0.00 -0.44 0.00 0.00 34.13 30.98 2fhm s GLU 47 CO 0.01 0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.90 2fhm n GLY 48 N -0.83 -0.17 3.78 -3.83 0.00 -0.40 -2.75 105.19 100.99 2fhm n GLY 48 Ca -0.02 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 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 2.99 0.22 1.61 0.04 -1.26 -1.00 135.00 135.60 2fhm s PRO 49 Ca 0.00 1.33 -0.08 0.00 0.04 0.00 0.00 61.00 62.29 2fhm s PRO 49 Cb 0.00 -1.98 0.27 0.00 0.04 0.00 0.00 34.50 32.83 2fhm s PRO 49 CO 0.00 -1.09 1.82 1.49 0.04 0.00 0.00 177.00 179.26 2fhm h GLU 50 N 0.21 0.73 -0.77 4.56 4.81 -1.93 -1.20 114.58 120.98 2fhm h GLU 50 Ca -0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2fhm h GLU 50 Cb 1.24 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 2fhm h GLU 50 CO 0.55 0.49 0.38 -0.97 -0.73 0.00 0.00 179.01 178.72 2fhm h ASN 51 N 0.76 1.01 -0.28 1.04 -0.73 -1.99 -0.26 115.58 115.13 2fhm h ASN 51 Ca 0.32 -0.13 -0.04 0.00 1.87 0.00 0.00 56.30 58.33 2fhm h ASN 51 Cb 0.20 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.52 2fhm h ASN 51 CO -0.18 0.86 0.03 0.00 -0.37 0.00 0.00 177.43 177.76 2fhm h ALA 52 N 1.19 0.37 -0.52 1.57 0.00 -1.69 -0.50 119.26 119.68 2fhm h ALA 52 Ca 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2fhm h ALA 52 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2fhm h ALA 52 CO -0.03 0.07 0.26 -0.07 0.00 0.00 0.00 179.25 179.48 2fhm h LEU 53 N 0.28 0.67 -0.31 0.00 3.38 -0.96 -0.53 115.31 117.84 2fhm h LEU 53 Ca 0.08 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2fhm h LEU 53 Cb 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2fhm h LEU 53 CO 0.01 0.60 -0.41 1.56 0.09 0.00 0.00 178.44 180.28 2fhm h GLN 54 N 0.69 0.82 -0.99 1.13 1.08 -1.00 -1.18 115.11 115.66 2fhm h GLN 54 Ca 0.18 -0.47 0.01 0.00 -1.45 0.00 0.00 58.65 56.91 2fhm h GLN 54 Cb 0.10 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 2fhm h GLN 54 CO -0.02 1.11 0.64 0.77 -0.95 0.00 0.00 178.83 180.37 2fhm h SER 55 N 0.59 1.15 -0.32 1.46 0.02 -0.93 -1.38 113.55 114.15 2fhm h SER 55 Ca 0.04 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2fhm h SER 55 Cb 1.01 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2fhm h SER 55 CO 0.10 0.85 0.17 0.15 -1.14 0.00 0.00 176.83 176.95 2fhm h PHE 56 N 1.35 0.44 -0.56 3.45 3.04 -0.92 -0.99 116.94 122.75 2fhm h PHE 56 Ca 0.36 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.39 2fhm h PHE 56 Cb -0.13 -0.14 -0.07 0.00 2.56 0.00 0.00 35.95 38.16 2fhm h PHE 56 CO 0.00 0.37 0.16 0.28 -2.02 0.00 0.00 178.31 177.10 2fhm h VAL 57 N 0.39 0.73 -0.89 1.41 2.07 -0.46 -0.31 116.25 119.19 2fhm h VAL 57 Ca 0.11 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2fhm h VAL 57 Cb 0.08 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2fhm h VAL 57 CO -0.02 0.06 0.50 -0.33 0.02 0.00 0.00 177.57 177.80 2fhm h GLU 58 N 0.32 1.23 -0.55 1.57 5.08 -1.00 -0.91 114.58 120.31 2fhm h GLU 58 Ca 0.28 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2fhm h GLU 58 Cb 0.37 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2fhm h GLU 58 CO -0.33 0.89 0.18 0.00 -1.00 0.00 0.00 179.01 178.75 2fhm h ALA 59 N 1.31 0.73 -0.01 3.43 0.00 0.26 0.68 119.26 125.65 2fhm h ALA 59 Ca 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2fhm h ALA 59 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2fhm h ALA 59 CO -0.05 0.38 0.00 0.28 0.00 0.00 0.00 179.25 179.86 2fhm h VAL 60 N 0.77 1.20 -0.62 0.00 2.07 -0.89 -1.60 116.25 117.18 2fhm h VAL 60 Ca 0.18 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.12 2fhm h VAL 60 Cb 0.27 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2fhm h VAL 60 CO -0.01 0.16 0.39 0.50 0.02 0.00 0.00 177.57 178.63 2fhm h LYS 61 N -0.23 0.75 0.00 1.57 3.64 -0.94 0.06 116.57 121.42 2fhm h LYS 61 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2fhm h LYS 61 Cb 0.26 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2fhm h LYS 61 CO 0.00 0.50 0.00 -0.97 -2.27 0.00 0.00 179.45 176.71 2fhm h ASN 62 N 0.77 0.00 -5.94 4.20 -1.24 -0.89 -3.38 115.58 109.09 2fhm h ASN 62 Ca 0.25 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.85 2fhm h ASN 62 Cb -0.00 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.14 2fhm h ASN 62 CO -0.09 0.00 -0.74 0.61 -1.29 0.00 0.00 177.43 175.92 2fhm n GLY 63 N 0.18 -0.47 0.28 1.57 0.00 0.01 -4.92 105.19 101.84 2fhm n GLY 63 Ca 0.01 0.20 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.30 -0.81 0.32 1.61 0.02 -1.72 -2.92 113.55 107.74 2fhm h SER 64 Ca -0.58 0.14 -0.33 0.00 -0.84 0.00 0.00 61.79 60.18 2fhm h SER 64 Cb 1.36 0.38 0.03 0.00 0.14 0.00 0.00 62.40 64.32 2fhm h SER 64 CO 0.57 -0.29 -1.46 1.55 -1.14 0.00 0.00 176.83 176.07 2fhm h PRO 65 N -0.25 0.51 -2.42 3.45 0.13 -1.91 -3.49 132.00 128.01 2fhm h PRO 65 Ca 0.14 -0.86 0.16 0.00 -0.87 0.00 0.00 66.00 64.56 2fhm h PRO 65 Cb 0.47 0.32 -0.08 0.00 0.13 0.00 0.00 31.00 31.84 2fhm h PRO 65 CO -0.40 1.41 0.45 0.12 -0.23 0.00 0.00 178.00 179.36 2fhm s PHE 66 N -2.61 -0.17 0.35 1.56 5.36 -1.10 -5.13 117.98 116.25 2fhm s PHE 66 Ca -0.08 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 2fhm s PHE 66 Cb 0.04 0.64 0.00 0.00 -0.34 0.00 0.00 43.02 43.36 2fhm s PHE 66 CO 0.94 -0.84 0.00 0.43 -1.46 0.00 0.00 175.22 174.28 2fhm n SER 67 N -0.45 -7.67 -3.58 6.13 7.64 -1.26 -4.55 113.62 109.88 2fhm n SER 67 Ca -0.06 0.68 -0.11 0.00 1.01 0.00 0.00 58.87 60.38 2fhm n SER 67 Cb 0.61 -4.00 -0.04 0.00 -1.01 0.00 0.00 64.21 59.77 2fhm n SER 67 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2fhm s LYS 68 N -2.51 1.17 0.20 1.43 0.00 -0.55 -4.40 119.74 115.07 2fhm s LYS 68 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 55.97 55.37 2fhm s LYS 68 Cb 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 37.83 38.31 2fhm s LYS 68 CO 0.00 -0.48 0.19 0.14 0.00 0.00 0.00 175.35 175.21 2fhm s VAL 69 N -3.79 4.65 -0.01 1.79 -7.23 -1.26 -1.44 120.40 113.10 2fhm s VAL 69 Ca 0.03 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2fhm s VAL 69 Cb 0.01 -3.43 -0.01 0.00 0.56 0.00 0.00 36.38 33.51 2fhm s VAL 69 CO -0.11 -0.20 0.01 0.35 -0.31 0.00 0.00 175.10 174.84 2fhm n THR 70 N -0.73 0.00 -3.75 5.32 -2.24 0.40 -4.86 114.28 108.42 2fhm n THR 70 Ca -0.08 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2fhm n THR 70 Cb 0.56 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.40 -0.28 -0.06 3.42 2.15 -0.75 -5.00 116.67 114.75 2fhm s ASP 71 Ca 0.00 0.41 -0.08 0.00 0.43 0.00 0.00 52.55 53.31 2fhm s ASP 71 Cb 0.00 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.16 2fhm s ASP 71 CO 0.02 -0.29 0.20 -0.51 -0.17 0.00 0.00 175.17 174.42 2fhm s ILE 72 N -0.57 0.02 0.01 4.11 2.07 -1.26 -1.58 121.20 124.00 2fhm s ILE 72 Ca -0.07 -0.14 -0.00 0.00 -1.41 0.00 0.00 60.65 59.03 2fhm s ILE 72 Cb -0.04 -0.34 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 2fhm s ILE 72 CO 0.02 -0.08 -0.02 -0.44 -1.91 0.00 0.00 174.94 172.52 2fhm s SER 73 N -0.21 0.18 0.02 4.50 0.01 -0.48 -5.02 113.70 112.70 2fhm s SER 73 Ca -0.03 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.86 2fhm s SER 73 Cb -0.03 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 2fhm s SER 73 CO 0.01 -0.24 -0.04 -0.69 0.41 0.00 0.00 173.24 172.69 2fhm s VAL 74 N -1.14 0.25 0.12 3.43 1.01 -1.26 -1.37 120.40 121.45 2fhm s VAL 74 Ca -0.12 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2fhm s VAL 74 Cb -0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2fhm s VAL 74 CO -0.01 -0.24 -0.12 -0.89 0.00 0.00 0.00 175.10 173.84 2fhm s THR 75 N -0.86 1.20 0.06 3.92 2.01 0.49 -5.00 115.64 117.46 2fhm s THR 75 Ca -0.07 -1.75 0.00 0.00 0.31 0.00 0.00 61.69 60.17 2fhm s THR 75 Cb -0.06 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2fhm s THR 75 CO -0.00 -0.51 -0.04 -1.61 -0.69 0.00 0.00 174.62 171.77 2fhm s GLU 76 N -2.87 0.64 0.01 4.92 2.02 -1.26 -0.89 118.70 121.27 2fhm s GLU 76 Ca 0.09 -1.18 -0.22 0.00 0.02 0.00 0.00 54.97 53.68 2fhm s GLU 76 Cb -0.03 0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.30 2fhm s GLU 76 CO 0.02 -0.07 0.50 -1.12 0.02 0.00 0.00 175.26 174.61 2fhm s SER 77 N -2.76 -0.42 0.24 -0.19 0.01 -0.69 -4.96 113.70 104.92 2fhm s SER 77 Ca 0.06 0.25 0.08 0.00 1.31 0.00 0.00 55.95 57.65 2fhm s SER 77 Cb 0.05 0.46 0.24 0.00 0.21 0.00 0.00 66.02 66.98 2fhm s SER 77 CO -0.07 -0.64 1.55 0.03 0.41 0.00 0.00 173.24 174.51 2fhm h ARG 78 N 3.05 0.08 -6.62 12.44 2.47 -1.87 0.71 114.38 124.64 2fhm h ARG 78 Ca -0.30 -0.06 -0.52 0.00 -1.26 0.00 0.00 59.98 57.84 2fhm h ARG 78 Cb 1.19 0.01 0.05 0.00 -1.65 0.00 0.00 29.97 29.58 2fhm h ARG 78 CO 0.41 0.72 1.05 -1.12 0.56 0.00 0.00 179.97 181.59 2fhm s SER 79 N -6.86 6.38 1.00 7.04 0.01 -1.26 -3.84 113.70 116.18 2fhm s SER 79 Ca -0.02 2.85 -0.12 0.00 1.31 0.00 0.00 55.95 59.96 2fhm s SER 79 Cb 0.12 -2.59 0.19 0.00 0.21 0.00 0.00 66.02 63.95 2fhm s SER 79 CO 0.78 -0.99 1.10 -0.76 0.41 0.00 0.00 173.24 173.78 2fhm s LEU 80 N 1.65 1.57 -0.02 2.44 1.02 -1.26 -4.10 118.68 119.98 2fhm s LEU 80 Ca 0.77 1.15 0.17 0.00 0.02 0.00 0.00 54.13 56.23 2fhm s LEU 80 Cb -0.49 -3.32 -0.25 0.00 0.02 0.00 0.00 46.19 42.15 2fhm s LEU 80 CO 0.33 -3.15 0.41 -0.62 0.02 0.00 0.00 176.35 173.35 2fhm n GLU 81 N -4.18 0.65 -2.18 1.70 -0.58 -1.26 -5.01 120.64 109.78 2fhm n GLU 81 Ca 0.05 -0.13 -0.01 0.00 -0.42 0.00 0.00 57.16 56.65 2fhm n GLU 81 Cb 0.58 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fhm n GLY 82 N 1.53 0.50 3.25 0.62 0.00 -1.26 -5.09 105.19 104.74 2fhm n GLY 82 Ca -0.02 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.02 1.61 0.00 1.61 3.76 -1.26 -5.06 115.29 112.93 2fhm s HIS 83 Ca 0.01 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 2fhm s HIS 83 Cb -0.00 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.80 2fhm s HIS 83 CO 0.04 0.16 0.54 0.72 -0.85 0.00 0.00 174.74 175.35 2fhm n HIS 84 N 1.17 0.00 -4.04 1.40 8.25 -1.26 -4.78 115.22 115.95 2fhm n HIS 84 Ca -0.20 -0.07 -0.12 0.00 -0.26 0.00 0.00 57.72 57.07 2fhm n HIS 84 Cb 0.54 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.14 1.72 0.10 -0.41 1.04 -1.26 -4.93 118.95 115.07 2fhm s ARG 85 Ca 0.00 -1.52 0.09 0.00 -1.04 0.00 0.00 55.73 53.26 2fhm s ARG 85 Cb 0.00 0.45 -0.04 0.00 -2.04 0.00 0.00 34.95 33.32 2fhm s ARG 85 CO 0.00 -0.71 -0.19 -0.59 -0.04 0.00 0.00 175.30 173.77 2fhm s PHE 86 N -3.49 2.53 0.07 5.89 -0.12 -1.26 -1.45 117.98 120.14 2fhm s PHE 86 Ca 0.27 -0.27 -0.05 0.00 -0.05 0.00 0.00 56.93 56.83 2fhm s PHE 86 Cb -0.00 -1.36 -0.02 0.00 -0.63 0.00 0.00 43.02 41.01 2fhm s PHE 86 CO 0.14 0.35 0.09 -1.12 -0.05 0.00 0.00 175.22 174.64 2fhm s SER 87 N -1.99 0.28 -0.18 1.98 0.01 -0.15 -4.94 113.70 108.71 2fhm s SER 87 Ca 0.17 -0.80 -0.00 0.00 1.31 0.00 0.00 55.95 56.63 2fhm s SER 87 Cb -0.11 0.28 0.04 0.00 0.21 0.00 0.00 66.02 66.45 2fhm s SER 87 CO 0.09 -0.67 -0.06 -0.63 0.41 0.00 0.00 173.24 172.38 2fhm s ILE 88 N -3.88 1.23 0.51 1.44 1.01 -1.26 -1.28 121.20 118.97 2fhm s ILE 88 Ca 0.06 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 2fhm s ILE 88 Cb 0.06 -1.40 -0.06 0.00 0.01 0.00 0.00 42.46 41.06 2fhm s ILE 88 CO -0.11 0.11 1.17 -0.69 0.00 0.00 0.00 174.94 175.43 2fhm s VAL 89 N 1.57 2.99 0.43 2.92 1.01 -0.10 -4.94 120.40 124.28 2fhm s VAL 89 Ca -0.00 0.69 0.12 0.00 0.00 0.00 0.00 61.98 62.79 2fhm s VAL 89 Cb -0.16 -3.32 0.20 0.00 0.00 0.00 0.00 36.38 33.10 2fhm s VAL 89 CO -0.08 -0.06 2.00 0.10 0.00 0.00 0.00 175.10 177.06 2fhm h TYR 90 N 1.63 0.16 0.00 5.22 -0.00 -2.00 -3.45 116.97 118.53 2fhm h TYR 90 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.22 2fhm h TYR 90 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2fhm h TYR 90 CO 0.51 0.24 0.00 0.43 -0.00 0.00 0.00 178.16 179.34