#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 1.33 0.03 -0.89 1.02 -0.86 -4.56 118.68 114.75 2fhm s LEU 2 Ca 0.00 -1.58 -0.20 0.00 0.02 0.00 0.00 54.13 52.37 2fhm s LEU 2 Cb 0.00 0.98 0.04 0.00 0.02 0.00 0.00 46.19 47.23 2fhm s LEU 2 CO 0.00 -1.15 0.44 -1.58 0.02 0.00 0.00 176.35 174.08 2fhm s GLN 3 N -3.35 0.91 0.32 1.70 -0.44 -0.47 -1.08 119.66 117.25 2fhm s GLN 3 Ca 0.36 -0.25 0.09 0.00 -2.50 0.00 0.00 55.36 53.06 2fhm s GLN 3 Cb 0.01 0.41 -0.05 0.00 -1.64 0.00 0.00 33.01 31.75 2fhm s GLN 3 CO 0.23 -0.31 0.03 1.52 0.50 0.00 0.00 175.29 177.26 2fhm s TYR 4 N -2.16 2.62 -0.02 1.67 -0.85 -0.39 -0.87 117.35 117.35 2fhm s TYR 4 Ca -0.07 -0.36 0.03 0.00 -0.52 0.00 0.00 57.07 56.15 2fhm s TYR 4 Cb -0.01 -1.43 -0.00 0.00 0.38 0.00 0.00 41.96 40.89 2fhm s TYR 4 CO 0.00 0.49 -0.11 0.50 -1.52 0.00 0.00 175.55 174.91 2fhm s ARG 5 N -3.73 0.97 0.02 -3.49 3.52 0.02 -2.62 118.95 113.64 2fhm s ARG 5 Ca 0.34 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 2fhm s ARG 5 Cb -0.03 -0.92 -0.02 0.00 -1.56 0.00 0.00 34.95 32.43 2fhm s ARG 5 CO 0.20 0.19 -0.07 0.42 -0.81 0.00 0.00 175.30 175.24 2fhm s ILE 6 N -0.08 0.48 -0.01 4.11 1.01 0.21 -0.93 121.20 125.99 2fhm s ILE 6 Ca 0.01 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.98 2fhm s ILE 6 Cb -0.06 -0.49 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 2fhm s ILE 6 CO 0.00 -0.17 -0.08 0.27 0.00 0.00 0.00 174.94 174.96 2fhm s ILE 7 N -0.83 0.67 0.05 2.92 -0.00 -0.41 -1.11 121.20 122.50 2fhm s ILE 7 Ca -0.05 -0.35 0.02 0.00 -0.00 0.00 0.00 60.65 60.27 2fhm s ILE 7 Cb -0.07 -0.57 -0.03 0.00 -0.00 0.00 0.00 42.46 41.80 2fhm s ILE 7 CO 0.00 0.19 -0.08 0.68 -0.00 0.00 0.00 174.94 175.73 2fhm s VAL 8 N -0.13 0.61 0.05 8.37 -7.23 0.01 -1.10 120.40 120.99 2fhm s VAL 8 Ca 0.02 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2fhm s VAL 8 Cb -0.04 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 2fhm s VAL 8 CO -0.00 -0.42 -0.06 -0.62 -0.31 0.00 0.00 175.10 173.69 2fhm s ASP 9 N -1.76 0.70 0.00 4.85 2.15 -0.43 -1.45 116.67 120.73 2fhm s ASP 9 Ca -0.07 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.25 2fhm s ASP 9 Cb -0.08 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.62 2fhm s ASP 9 CO 0.00 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 2fhm n GLY 10 N 1.09 0.41 2.37 2.66 0.00 -1.26 -0.39 105.19 110.08 2fhm n GLY 10 Ca -0.20 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 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 3.41 -0.24 1.61 0.63 -0.29 -4.69 116.66 117.09 2fhm n ARG 11 Ca 0.00 -2.08 0.02 0.00 -0.92 0.00 0.00 57.85 54.87 2fhm n ARG 11 Cb 0.00 -2.75 0.11 0.00 0.45 0.00 0.00 32.46 30.27 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 3.73 0.74 -3.57 5.15 0.24 -1.21 -0.85 118.33 122.56 2fhm n VAL 12 Ca 0.73 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 62.50 2fhm n VAL 12 Cb 0.22 -0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 32.17 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 -1.53 1.05 0.00 7.34 2.00 -1.26 -4.66 119.66 122.60 2fhm s GLN 13 Ca 0.16 -0.31 0.00 0.00 -2.00 0.00 0.00 55.36 53.21 2fhm s GLN 13 Cb 0.11 0.48 0.00 0.00 0.80 0.00 0.00 33.01 34.40 2fhm s GLN 13 CO 0.05 -0.39 0.00 0.41 -0.50 0.00 0.00 175.29 174.86 2fhm n GLY 14 N 0.28 -1.74 0.24 2.59 0.00 -1.26 -4.88 105.19 100.41 2fhm n GLY 14 Ca -0.18 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 1.29 0.00 1.61 -1.51 -1.97 -3.46 116.25 112.21 2fhm h VAL 15 Ca 0.00 -1.67 0.00 0.00 -1.23 0.00 0.00 66.70 63.80 2fhm h VAL 15 Cb 0.00 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2fhm h VAL 15 CO 0.00 0.54 0.00 0.61 -1.23 0.00 0.00 177.57 177.49 2fhm n GLY 16 N 0.18 -0.03 0.37 5.19 0.00 -1.26 -5.07 105.19 104.57 2fhm n GLY 16 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 2fhm n GLY 16 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2fhm h PHE 17 N 0.00 1.05 -0.42 1.61 3.57 -1.89 -1.17 116.94 119.69 2fhm h PHE 17 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2fhm h PHE 17 Cb 0.00 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 2fhm h PHE 17 CO 0.00 0.55 -0.19 0.07 -2.23 0.00 0.00 178.31 176.51 2fhm h ARG 18 N 1.03 0.81 0.01 1.11 0.11 -1.98 0.16 114.38 115.63 2fhm h ARG 18 Ca 0.39 -0.31 -0.20 0.00 0.10 0.00 0.00 59.98 59.97 2fhm h ARG 18 Cb 0.21 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 2fhm h ARG 18 CO -0.15 0.93 -0.89 0.10 0.10 0.00 0.00 179.97 180.06 2fhm h TYR 19 N 0.71 0.26 -0.56 4.08 -0.00 -1.89 -2.30 116.97 117.28 2fhm h TYR 19 Ca 0.10 -0.15 0.08 0.00 0.00 0.00 0.00 58.73 58.76 2fhm h TYR 19 Cb 0.70 -0.03 -0.06 0.00 0.00 0.00 0.00 36.73 37.34 2fhm h TYR 19 CO 0.04 0.97 0.22 0.35 -0.00 0.00 0.00 178.16 179.74 2fhm h PHE 20 N 0.09 0.39 -0.38 0.10 3.57 -0.86 0.20 116.94 120.06 2fhm h PHE 20 Ca -0.04 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2fhm h PHE 20 Cb 1.52 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 40.12 2fhm h PHE 20 CO 0.03 0.13 0.09 0.28 -2.23 0.00 0.00 178.31 176.61 2fhm h VAL 21 N 0.42 0.83 0.00 1.41 2.07 -0.54 -0.47 116.25 119.97 2fhm h VAL 21 Ca 0.27 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 2fhm h VAL 21 Cb 0.29 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2fhm h VAL 21 CO -0.26 0.04 -0.29 1.56 0.02 0.00 0.00 177.57 178.65 2fhm h GLN 22 N 0.22 0.00 -0.13 1.57 1.08 -0.77 0.58 115.11 117.66 2fhm h GLN 22 Ca 0.18 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 2fhm h GLN 22 Cb 0.20 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2fhm h GLN 22 CO -0.22 0.29 0.01 0.52 -0.95 0.00 0.00 178.83 178.48 2fhm h MET 23 N 0.00 0.22 -0.30 1.46 2.86 -0.01 -1.24 114.93 117.92 2fhm h MET 23 Ca -0.00 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 2fhm h MET 23 Cb 0.72 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 2fhm h MET 23 CO 0.04 0.42 -0.19 0.93 1.06 0.00 0.00 176.91 179.17 2fhm h GLU 24 N -0.02 0.54 0.41 1.72 4.39 -0.73 0.25 114.58 121.14 2fhm h GLU 24 Ca 0.04 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 2fhm h GLU 24 Cb 0.32 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2fhm h GLU 24 CO 0.00 0.71 -0.21 0.00 -1.16 0.00 0.00 179.01 178.34 2fhm h ALA 25 N 1.31 -0.58 -0.84 3.43 0.00 -0.85 -2.44 119.26 119.30 2fhm h ALA 25 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2fhm h ALA 25 Cb 0.61 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2fhm h ALA 25 CO 0.04 -0.83 0.42 0.22 0.00 0.00 0.00 179.25 179.11 2fhm h ASP 26 N -0.58 1.08 0.20 0.00 3.58 -0.88 0.62 116.42 120.44 2fhm h ASP 26 Ca -0.05 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2fhm h ASP 26 Cb 0.46 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2fhm h ASP 26 CO 0.08 0.90 0.00 0.50 -2.88 0.00 0.00 179.24 177.84 2fhm h LYS 27 N 1.19 0.00 -0.14 0.28 3.11 -0.87 -0.20 116.57 119.94 2fhm h LYS 27 Ca 0.29 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.13 2fhm h LYS 27 Cb 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.32 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 -2.46 2.30 -2.51 1.90 5.12 -0.33 -4.99 116.66 115.69 2fhm n ARG 28 Ca -0.01 -2.48 -0.11 0.00 -1.93 0.00 0.00 57.85 53.32 2fhm n ARG 28 Cb 0.09 -1.54 -0.00 0.00 -1.16 0.00 0.00 32.46 29.85 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 -0.74 -2.44 -1.71 5.56 5.02 -0.09 -4.85 118.16 118.91 2fhm n LYS 29 Ca 0.15 0.48 -0.31 0.00 -2.02 0.00 0.00 58.31 56.61 2fhm n LYS 29 Cb 0.66 -5.07 0.03 0.00 -0.02 0.00 0.00 35.03 30.64 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 -5.56 3.17 -0.13 -0.35 1.43 0.06 -4.84 118.68 112.46 2fhm s LEU 30 Ca 0.03 1.52 -0.09 0.00 -1.03 0.00 0.00 54.13 54.55 2fhm s LEU 30 Cb -0.01 -4.47 0.04 0.00 0.03 0.00 0.00 46.19 41.78 2fhm s LEU 30 CO 0.03 -1.19 0.33 0.00 0.23 0.00 0.00 176.35 175.76 2fhm s ALA 31 N -3.11 -0.82 0.00 4.21 0.00 -1.00 -4.25 121.76 116.79 2fhm s ALA 31 Ca 0.57 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2fhm s ALA 31 Cb -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2fhm s ALA 31 CO 0.55 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2fhm n GLY 32 N 3.59 -0.40 3.83 0.00 0.00 -1.22 -1.16 105.19 109.84 2fhm n GLY 32 Ca -0.19 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.99 3.01 0.03 1.61 -2.14 0.55 -1.08 118.94 117.93 2fhm s TRP 33 Ca 0.00 -0.20 0.02 0.00 2.66 0.00 0.00 56.10 58.59 2fhm s TRP 33 Cb 0.00 -1.58 -0.02 0.00 -3.10 0.00 0.00 33.47 28.77 2fhm s TRP 33 CO 0.00 0.37 -0.08 0.54 -2.66 0.00 0.00 176.95 175.12 2fhm s VAL 34 N -2.21 0.58 0.05 -0.66 0.11 -0.24 -1.31 120.40 116.72 2fhm s VAL 34 Ca 0.36 -0.80 -0.19 0.00 -2.93 0.00 0.00 61.98 58.43 2fhm s VAL 34 Cb -0.07 -0.58 0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2fhm s VAL 34 CO 0.26 -0.17 0.44 -0.75 -3.33 0.00 0.00 175.10 171.55 2fhm s LYS 35 N -1.06 0.97 -0.25 1.54 2.20 -0.27 -0.67 119.74 122.21 2fhm s LYS 35 Ca -0.05 -0.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.09 2fhm s LYS 35 Cb -0.07 0.44 -0.05 0.00 -1.51 0.00 0.00 37.83 36.63 2fhm s LYS 35 CO 0.00 -0.34 0.18 1.21 -0.36 0.00 0.00 175.35 176.04 2fhm s ASN 36 N -2.09 6.11 0.37 1.43 3.84 -1.26 -0.62 114.94 122.72 2fhm s ASN 36 Ca -0.04 0.10 -0.23 0.00 0.21 0.00 0.00 52.86 52.90 2fhm s ASN 36 Cb -0.00 -2.11 -0.10 0.00 -0.55 0.00 0.00 41.25 38.48 2fhm s ASN 36 CO -0.03 0.03 0.94 -0.13 -2.79 0.00 0.00 177.10 175.11 2fhm s ARG 37 N 1.25 4.39 0.55 0.43 0.52 0.01 -4.74 118.95 121.36 2fhm s ARG 37 Ca 0.08 1.20 0.23 0.00 -0.52 0.00 0.00 55.73 56.72 2fhm s ARG 37 Cb -0.14 -2.49 1.52 0.00 0.52 0.00 0.00 34.95 34.36 2fhm s ARG 37 CO 0.06 0.13 2.16 0.22 0.02 0.00 0.00 175.30 177.89 2fhm h ASP 38 N 2.53 0.00 0.10 0.23 3.58 -1.99 -1.04 116.42 119.83 2fhm h ASP 38 Ca -0.48 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.96 2fhm h ASP 38 Cb 1.19 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 2fhm h ASP 38 CO 0.63 0.00 -0.06 -0.78 -2.88 0.00 0.00 179.24 176.15 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.05 -3.46 116.42 116.77 2fhm h ASP 39 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2fhm h ASP 39 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2fhm h ASP 39 CO -0.00 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2fhm n GLY 40 N -1.20 1.57 3.67 -0.78 0.00 -0.39 -5.13 105.19 102.93 2fhm n GLY 40 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2fhm n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fhm n ARG 41 N 0.00 0.01 -3.72 1.61 5.12 -1.25 -4.80 116.66 113.63 2fhm n ARG 41 Ca 0.00 0.08 -0.33 0.00 -1.93 0.00 0.00 57.85 55.67 2fhm n ARG 41 Cb 0.00 -2.38 -0.05 0.00 -1.16 0.00 0.00 32.46 28.87 2fhm n ARG 41 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2fhm s VAL 42 N -2.25 5.24 0.04 1.55 1.01 -0.53 -0.81 120.40 124.64 2fhm s VAL 42 Ca 0.71 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.89 2fhm s VAL 42 Cb -0.28 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2fhm s VAL 42 CO 0.53 0.24 -0.20 -0.70 0.00 0.00 0.00 175.10 174.98 2fhm s GLU 43 N -2.10 1.33 0.01 2.72 2.12 0.21 -0.81 118.70 122.18 2fhm s GLU 43 Ca 0.33 -0.89 0.01 0.00 0.36 0.00 0.00 54.97 54.78 2fhm s GLU 43 Cb -0.13 -1.42 -0.01 0.00 0.26 0.00 0.00 34.13 32.84 2fhm s GLU 43 CO 0.20 0.36 -0.03 0.42 -0.54 0.00 0.00 175.26 175.67 2fhm s ILE 44 N -0.77 0.18 -0.14 -3.70 1.01 -0.26 -1.11 121.20 116.40 2fhm s ILE 44 Ca 0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 2fhm s ILE 44 Cb -0.08 -0.20 0.07 0.00 0.01 0.00 0.00 42.46 42.25 2fhm s ILE 44 CO 0.01 -0.10 0.31 -0.22 0.00 0.00 0.00 174.94 174.94 2fhm s LEU 45 N -0.45 -0.21 0.02 2.97 0.20 -0.43 -0.62 118.68 120.16 2fhm s LEU 45 Ca -0.03 0.69 -0.20 0.00 0.69 0.00 0.00 54.13 55.28 2fhm s LEU 45 Cb -0.03 0.90 0.04 0.00 -0.43 0.00 0.00 46.19 46.67 2fhm s LEU 45 CO -0.00 -0.22 0.44 0.00 -0.29 0.00 0.00 176.35 176.28 2fhm s ALA 46 N 2.12 -1.11 0.25 5.97 0.00 -1.08 -0.33 121.76 127.59 2fhm s ALA 46 Ca -0.03 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 2fhm s ALA 46 Cb -0.11 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2fhm s ALA 46 CO -0.10 -0.40 0.47 -1.83 0.00 0.00 0.00 175.76 173.90 2fhm s GLU 47 N -1.99 3.55 0.00 0.00 -1.05 -0.31 -1.26 118.70 117.64 2fhm s GLU 47 Ca -0.08 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.52 2fhm s GLU 47 Cb -0.02 -2.74 0.00 0.00 -0.44 0.00 0.00 34.13 30.93 2fhm s GLU 47 CO 0.01 0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.93 2fhm n GLY 48 N -0.93 -0.46 3.79 -3.83 0.00 -0.24 -2.37 105.19 101.15 2fhm n GLY 48 Ca -0.04 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 2.55 0.15 1.61 0.04 -1.26 -2.02 135.00 134.06 2fhm s PRO 49 Ca 0.00 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 2fhm s PRO 49 Cb 0.00 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.64 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 -0.91 0.21 -0.48 4.56 4.81 -1.96 -1.35 114.58 119.46 2fhm h GLU 50 Ca -0.44 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 2fhm h GLU 50 Cb 1.22 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2fhm h GLU 50 CO 0.54 0.14 -0.04 -0.97 -0.73 0.00 0.00 179.01 177.94 2fhm h ASN 51 N 0.21 0.80 -0.30 1.04 -0.73 -1.99 -0.50 115.58 114.12 2fhm h ASN 51 Ca 0.15 -0.21 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 2fhm h ASN 51 Cb 0.14 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 2fhm h ASN 51 CO -0.17 0.89 0.12 0.00 -0.37 0.00 0.00 177.43 177.90 2fhm h ALA 52 N 1.19 0.39 -0.51 1.57 0.00 -1.74 -0.37 119.26 119.79 2fhm h ALA 52 Ca 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2fhm h ALA 52 Cb 0.52 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2fhm h ALA 52 CO 0.03 -0.02 0.32 -0.07 0.00 0.00 0.00 179.25 179.51 2fhm h LEU 53 N 0.34 0.55 -0.34 0.00 3.38 -0.87 -1.49 115.31 116.88 2fhm h LEU 53 Ca 0.10 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2fhm h LEU 53 Cb 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2fhm h LEU 53 CO -0.01 0.39 0.04 1.56 0.09 0.00 0.00 178.44 180.51 2fhm h GLN 54 N 0.65 0.58 -0.73 1.13 1.08 -0.90 -1.05 115.11 115.87 2fhm h GLN 54 Ca 0.19 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2fhm h GLN 54 Cb -0.04 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 2fhm h GLN 54 CO -0.06 0.67 0.43 0.77 -0.95 0.00 0.00 178.83 179.69 2fhm h SER 55 N 0.40 0.88 -0.19 1.46 0.02 -0.85 -0.47 113.55 114.80 2fhm h SER 55 Ca 0.10 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2fhm h SER 55 Cb 0.38 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2fhm h SER 55 CO 0.01 0.69 0.12 0.15 -1.14 0.00 0.00 176.83 176.66 2fhm h PHE 56 N 1.00 0.24 -0.90 3.45 3.57 -1.15 -1.27 116.94 121.88 2fhm h PHE 56 Ca 0.26 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.83 2fhm h PHE 56 Cb -0.02 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 2fhm h PHE 56 CO -0.01 0.18 0.56 0.28 -2.23 0.00 0.00 178.31 177.09 2fhm h VAL 57 N 0.23 1.04 -0.67 1.41 2.07 -0.30 -0.54 116.25 119.49 2fhm h VAL 57 Ca 0.07 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2fhm h VAL 57 Cb 0.00 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.68 2fhm h VAL 57 CO -0.01 0.18 0.30 -0.33 0.02 0.00 0.00 177.57 177.73 2fhm h GLU 58 N 1.01 0.99 -0.91 1.57 4.39 -0.89 -0.02 114.58 120.71 2fhm h GLU 58 Ca 0.40 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.96 2fhm h GLU 58 Cb 0.19 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 2fhm h GLU 58 CO -0.18 0.80 0.60 0.00 -1.16 0.00 0.00 179.01 179.07 2fhm h ALA 59 N 1.14 1.19 0.36 3.43 0.00 0.05 0.59 119.26 126.02 2fhm h ALA 59 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2fhm h ALA 59 Cb 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2fhm h ALA 59 CO -0.02 0.49 -0.17 0.28 0.00 0.00 0.00 179.25 179.82 2fhm h VAL 60 N 1.18 0.58 -0.84 0.00 2.07 -0.82 -3.26 116.25 115.15 2fhm h VAL 60 Ca 0.36 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2fhm h VAL 60 Cb -0.04 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2fhm h VAL 60 CO -0.11 0.10 0.54 0.50 0.02 0.00 0.00 177.57 178.62 2fhm h LYS 61 N -0.84 1.12 0.00 1.57 3.11 -0.73 -0.86 116.57 119.94 2fhm h LYS 61 Ca -0.05 -0.08 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 2fhm h LYS 61 Cb 0.53 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2fhm h LYS 61 CO 0.08 0.75 -0.08 -0.97 -2.81 0.00 0.00 179.45 176.42 2fhm h ASN 62 N 1.15 0.00 -5.82 4.20 -1.24 -0.99 -3.41 115.58 109.46 2fhm h ASN 62 Ca 0.31 0.00 -0.39 0.00 0.71 0.00 0.00 56.30 56.93 2fhm h ASN 62 Cb -0.11 0.00 0.14 0.00 0.73 0.00 0.00 38.32 39.09 2fhm h ASN 62 CO -0.06 0.08 -0.69 0.61 -1.29 0.00 0.00 177.43 176.08 2fhm n GLY 63 N -0.85 -0.53 0.26 1.57 0.00 -0.33 -4.93 105.19 100.39 2fhm n GLY 63 Ca -0.02 0.24 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.62 0.02 0.04 1.61 0.02 -1.75 -3.31 113.55 107.55 2fhm h SER 64 Ca -0.57 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2fhm h SER 64 Cb 1.37 0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2fhm h SER 64 CO 0.55 -0.02 -0.02 1.55 -1.14 0.00 0.00 176.83 177.75 2fhm h PRO 65 N 0.27 -0.05 0.00 3.45 0.13 -1.91 -3.48 132.00 130.42 2fhm h PRO 65 Ca 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.53 2fhm h PRO 65 Cb 0.67 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2fhm h PRO 65 CO -0.49 0.62 0.00 0.34 -0.23 0.00 0.00 178.00 178.24 2fhm n PHE 66 N -4.76 0.00 -1.75 1.56 7.35 -1.25 -5.12 117.46 113.50 2fhm n PHE 66 Ca -0.08 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.20 2fhm n PHE 66 Cb 0.34 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.17 2fhm n PHE 66 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2fhm n SER 67 N 0.00 3.35 -3.66 -2.13 7.64 -1.26 -5.02 113.62 112.54 2fhm n SER 67 Ca 0.00 1.17 -0.12 0.00 1.01 0.00 0.00 58.87 60.94 2fhm n SER 67 Cb 0.00 -1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 61.56 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 -2.20 0.97 0.41 1.43 0.00 -0.03 -4.31 119.74 116.02 2fhm s LYS 68 Ca 0.57 -0.53 -0.07 0.00 0.00 0.00 0.00 55.97 55.94 2fhm s LYS 68 Cb -0.48 0.43 -0.05 0.00 0.00 0.00 0.00 37.83 37.73 2fhm s LYS 68 CO 0.61 -0.35 0.73 0.14 0.00 0.00 0.00 175.35 176.48 2fhm s VAL 69 N -3.08 4.89 -0.01 1.79 -7.23 -1.26 -1.14 120.40 114.37 2fhm s VAL 69 Ca -0.01 0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 2fhm s VAL 69 Cb 0.01 -3.79 -0.00 0.00 0.56 0.00 0.00 36.38 33.15 2fhm s VAL 69 CO -0.07 -0.62 0.01 0.35 -0.31 0.00 0.00 175.10 174.46 2fhm n THR 70 N -1.65 0.00 -3.78 5.32 -2.24 0.48 -4.83 114.28 107.58 2fhm n THR 70 Ca 0.01 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2fhm n THR 70 Cb 0.54 0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.42 -0.26 -0.01 3.42 2.15 -0.73 -4.99 116.67 114.83 2fhm s ASP 71 Ca 0.00 0.48 0.01 0.00 0.43 0.00 0.00 52.55 53.47 2fhm s ASP 71 Cb 0.00 0.52 0.01 0.00 -0.30 0.00 0.00 42.92 43.16 2fhm s ASP 71 CO 0.01 -0.13 -0.02 -0.51 -0.17 0.00 0.00 175.17 174.35 2fhm s ILE 72 N -0.04 0.22 -0.00 4.11 2.07 -1.26 -1.31 121.20 124.99 2fhm s ILE 72 Ca -0.02 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.21 2fhm s ILE 72 Cb -0.02 -0.24 -0.01 0.00 0.13 0.00 0.00 42.46 42.32 2fhm s ILE 72 CO 0.01 0.10 -0.10 -0.44 -1.91 0.00 0.00 174.94 172.60 2fhm s SER 73 N 0.38 1.18 0.01 4.50 0.01 -0.26 -5.02 113.70 114.51 2fhm s SER 73 Ca -0.04 -0.21 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 2fhm s SER 73 Cb -0.06 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2fhm s SER 73 CO -0.01 0.10 -0.01 -0.69 0.41 0.00 0.00 173.24 173.05 2fhm s VAL 74 N -0.32 0.06 -0.01 3.43 1.01 -1.26 -1.28 120.40 122.03 2fhm s VAL 74 Ca 0.03 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.56 2fhm s VAL 74 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 2fhm s VAL 74 CO -0.00 -0.27 -0.16 -0.89 0.00 0.00 0.00 175.10 173.77 2fhm s THR 75 N -0.80 1.26 -0.08 3.92 2.01 -0.11 -5.01 115.64 116.84 2fhm s THR 75 Ca -0.09 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 2fhm s THR 75 Cb -0.05 -1.06 0.03 0.00 0.01 0.00 0.00 72.50 71.42 2fhm s THR 75 CO -0.00 0.32 0.19 -0.70 -0.69 0.00 0.00 174.62 173.73 2fhm s GLU 76 N -0.48 0.17 0.05 4.92 2.12 -1.26 -0.80 118.70 123.42 2fhm s GLU 76 Ca 0.06 0.36 -0.00 0.00 0.36 0.00 0.00 54.97 55.75 2fhm s GLU 76 Cb -0.06 -0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.25 2fhm s GLU 76 CO -0.00 -0.10 -0.04 -1.12 -0.54 0.00 0.00 175.26 173.45 2fhm s SER 77 N 0.73 0.52 0.00 -1.70 0.01 -0.05 -5.01 113.70 108.20 2fhm s SER 77 Ca -0.05 -0.79 0.30 0.00 1.31 0.00 0.00 55.95 56.72 2fhm s SER 77 Cb -0.07 0.14 1.46 0.00 0.21 0.00 0.00 66.02 67.76 2fhm s SER 77 CO -0.04 -0.45 2.00 0.54 0.41 0.00 0.00 173.24 175.71 2fhm n ARG 78 N 0.72 0.57 -0.58 12.44 3.00 -1.26 -1.37 116.66 130.17 2fhm n ARG 78 Ca -0.18 -0.08 -0.30 0.00 -0.01 0.00 0.00 57.85 57.28 2fhm n ARG 78 Cb 0.58 -1.50 0.21 0.00 0.00 0.00 0.00 32.46 31.76 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 -1.15 -1.19 -3.65 0.55 7.64 -1.26 -4.45 113.62 110.11 2fhm n SER 79 Ca 0.15 0.06 -0.10 0.00 1.01 0.00 0.00 58.87 59.99 2fhm n SER 79 Cb 0.24 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 2fhm n SER 79 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2fhm s LEU 80 N -5.98 -0.00 0.14 -3.43 2.34 -1.26 -2.14 118.68 108.35 2fhm s LEU 80 Ca 0.66 -0.35 0.08 0.00 0.06 0.00 0.00 54.13 54.58 2fhm s LEU 80 Cb -0.23 2.20 -0.15 0.00 -0.56 0.00 0.00 46.19 47.45 2fhm s LEU 80 CO 0.63 -1.00 1.32 -0.33 -1.06 0.00 0.00 176.35 175.90 2fhm h GLU 81 N 2.18 0.00 -3.37 1.48 4.39 -1.95 -3.48 114.58 113.84 2fhm h GLU 81 Ca -0.31 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.30 2fhm h GLU 81 Cb 1.27 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.98 2fhm h GLU 81 CO 0.39 0.94 -0.25 0.41 -1.16 0.00 0.00 179.01 179.34 2fhm n GLY 82 N 1.26 0.23 3.46 -3.84 0.00 -1.26 -5.01 105.19 100.04 2fhm n GLY 82 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2fhm n GLY 82 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2fhm n HIS 83 N -1.98 -0.80 -0.49 1.61 1.44 -1.26 -4.97 115.22 108.77 2fhm n HIS 83 Ca -0.06 0.35 0.00 0.00 -2.01 0.00 0.00 57.72 56.00 2fhm n HIS 83 Cb 0.55 -1.92 0.00 0.00 0.12 0.00 0.00 29.99 28.74 2fhm n HIS 83 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2fhm n HIS 84 N -2.37 0.00 -3.90 -1.40 8.25 -1.26 -5.13 115.22 109.41 2fhm n HIS 84 Ca 0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.48 2fhm n HIS 84 Cb 0.50 0.00 -0.02 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 -0.08 1.81 0.00 -0.41 1.70 -1.26 -5.16 118.95 115.55 2fhm s ARG 85 Ca 0.00 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 54.07 2fhm s ARG 85 Cb 0.00 0.56 -0.00 0.00 -0.57 0.00 0.00 34.95 34.94 2fhm s ARG 85 CO 0.00 -0.81 -0.02 -0.59 -1.08 0.00 0.00 175.30 172.81 2fhm s PHE 86 N -3.61 0.14 0.03 5.89 -0.71 -1.26 -3.43 117.98 115.03 2fhm s PHE 86 Ca 0.16 -0.06 -0.12 0.00 -1.04 0.00 0.00 56.93 55.87 2fhm s PHE 86 Cb -0.04 -0.09 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 2fhm s PHE 86 CO 0.09 -0.01 0.26 -1.12 -1.34 0.00 0.00 175.22 173.10 2fhm s SER 87 N -0.13 -0.08 -0.19 1.98 0.01 -0.25 -4.92 113.70 110.12 2fhm s SER 87 Ca -0.00 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2fhm s SER 87 Cb -0.01 0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.58 2fhm s SER 87 CO -0.00 -0.56 -0.12 -0.63 0.41 0.00 0.00 173.24 172.34 2fhm s ILE 88 N -2.32 1.73 0.09 1.44 1.01 -1.26 -1.07 121.20 120.81 2fhm s ILE 88 Ca -0.07 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 2fhm s ILE 88 Cb -0.02 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 2fhm s ILE 88 CO -0.02 0.24 1.06 -0.69 0.00 0.00 0.00 174.94 175.53 2fhm s VAL 89 N 1.37 4.32 -0.47 2.92 1.01 0.16 -4.97 120.40 124.73 2fhm s VAL 89 Ca -0.00 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.81 2fhm s VAL 89 Cb -0.16 -4.15 0.63 0.00 0.00 0.00 0.00 36.38 32.70 2fhm s VAL 89 CO -0.09 0.22 1.91 -1.22 0.00 0.00 0.00 175.10 175.92 2fhm n TYR 90 N 3.25 3.00 0.00 5.22 4.01 -1.26 -4.45 117.16 126.93 2fhm n TYR 90 Ca 0.05 -2.00 0.00 0.00 -0.16 0.00 0.00 57.90 55.79 2fhm n TYR 90 Cb 0.48 -0.99 0.00 0.00 -0.31 0.00 0.00 39.34 38.52 2fhm n TYR 90 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27