#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 2.08 0.05 -0.89 1.02 -0.61 -4.70 118.68 115.62 2fhm s LEU 2 Ca 0.00 -1.63 -0.07 0.00 0.02 0.00 0.00 54.13 52.44 2fhm s LEU 2 Cb 0.00 -0.25 -0.00 0.00 0.02 0.00 0.00 46.19 45.95 2fhm s LEU 2 CO 0.00 -0.87 0.15 -1.58 0.02 0.00 0.00 176.35 174.06 2fhm s GLN 3 N -3.76 0.69 0.34 1.70 0.74 -0.41 -1.26 119.66 117.70 2fhm s GLN 3 Ca 0.23 -0.78 0.09 0.00 0.05 0.00 0.00 55.36 54.94 2fhm s GLN 3 Cb 0.03 0.28 -0.07 0.00 1.10 0.00 0.00 33.01 34.35 2fhm s GLN 3 CO 0.13 -0.19 -0.07 1.52 -0.55 0.00 0.00 175.29 176.12 2fhm s TYR 4 N -2.96 2.33 0.02 1.67 -0.85 -0.62 -0.99 117.35 115.95 2fhm s TYR 4 Ca -0.02 -0.57 0.05 0.00 -0.52 0.00 0.00 57.07 56.02 2fhm s TYR 4 Cb 0.01 -1.38 -0.02 0.00 0.38 0.00 0.00 41.96 40.95 2fhm s TYR 4 CO -0.06 0.50 -0.16 1.03 -1.52 0.00 0.00 175.55 175.34 2fhm s ARG 5 N -3.65 1.16 -0.01 -3.49 0.52 -0.03 -3.20 118.95 110.25 2fhm s ARG 5 Ca 0.32 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 2fhm s ARG 5 Cb 0.04 -1.17 0.00 0.00 0.52 0.00 0.00 34.95 34.34 2fhm s ARG 5 CO 0.16 0.31 -0.03 0.42 0.02 0.00 0.00 175.30 176.18 2fhm s ILE 6 N -0.64 0.24 -0.04 1.52 1.01 -0.21 -0.77 121.20 122.30 2fhm s ILE 6 Ca 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.61 2fhm s ILE 6 Cb -0.07 -0.22 0.01 0.00 0.01 0.00 0.00 42.46 42.18 2fhm s ILE 6 CO 0.01 0.08 -0.11 0.27 0.00 0.00 0.00 174.94 175.19 2fhm s ILE 7 N 0.05 0.97 0.03 2.92 -0.00 -0.27 -0.72 121.20 124.18 2fhm s ILE 7 Ca -0.00 -0.43 -0.03 0.00 -0.00 0.00 0.00 60.65 60.18 2fhm s ILE 7 Cb -0.03 -0.87 -0.02 0.00 -0.00 0.00 0.00 42.46 41.54 2fhm s ILE 7 CO -0.00 0.30 0.04 0.68 -0.00 0.00 0.00 174.94 175.97 2fhm s VAL 8 N 0.38 0.13 0.00 8.37 -7.23 -0.12 -1.08 120.40 120.85 2fhm s VAL 8 Ca -0.08 -1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2fhm s VAL 8 Cb -0.12 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.10 2fhm s VAL 8 CO 0.02 -0.59 0.03 -0.62 -0.31 0.00 0.00 175.10 173.63 2fhm s ASP 9 N -1.92 0.08 0.00 4.85 2.15 -0.50 -1.39 116.67 119.94 2fhm s ASP 9 Ca -0.08 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.69 2fhm s ASP 9 Cb -0.04 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.70 2fhm s ASP 9 CO -0.03 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 2fhm n GLY 10 N 2.16 0.42 3.56 2.66 0.00 -1.26 -0.40 105.19 112.33 2fhm n GLY 10 Ca -0.19 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 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 3.52 -0.00 -4.63 118.95 120.89 2fhm s ARG 11 Ca 0.00 -1.11 0.00 0.00 -0.13 0.00 0.00 55.73 54.49 2fhm s ARG 11 Cb 0.00 -5.33 0.00 0.00 -1.56 0.00 0.00 34.95 28.06 2fhm s ARG 11 CO 0.00 -2.46 0.56 1.33 -0.81 0.00 0.00 175.30 173.93 2fhm n VAL 12 N 7.01 0.26 -3.81 7.11 0.24 -1.26 -1.54 118.33 126.34 2fhm n VAL 12 Ca 0.37 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 2fhm n VAL 12 Cb 0.50 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.75 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 -0.26 0.31 0.00 7.34 2.00 -1.26 -4.26 119.66 123.52 2fhm s GLN 13 Ca 0.00 0.17 0.00 0.00 -2.00 0.00 0.00 55.36 53.53 2fhm s GLN 13 Cb 0.00 0.14 0.00 0.00 0.80 0.00 0.00 33.01 33.95 2fhm s GLN 13 CO 0.00 -0.05 0.00 0.41 -0.50 0.00 0.00 175.29 175.15 2fhm n GLY 14 N 2.65 4.13 0.26 2.59 0.00 -1.26 -4.68 105.19 108.88 2fhm n GLY 14 Ca -0.15 -1.34 0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 1.19 0.93 0.01 1.61 -1.51 -2.00 -1.32 116.25 115.17 2fhm h VAL 15 Ca 0.00 -0.02 -0.40 0.00 -1.23 0.00 0.00 66.70 65.05 2fhm h VAL 15 Cb 0.00 1.01 -0.06 0.00 -2.13 0.00 0.00 31.29 30.11 2fhm h VAL 15 CO 0.00 0.01 -2.42 0.61 -1.23 0.00 0.00 177.57 174.53 2fhm n GLY 16 N -1.49 -0.40 0.23 5.19 0.00 -1.26 -3.94 105.19 103.53 2fhm n GLY 16 Ca -0.03 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.17 0.00 -0.01 1.61 0.04 -1.72 -0.07 116.94 116.62 2fhm h PHE 17 Ca -0.58 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.19 2fhm h PHE 17 Cb 1.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.01 2fhm h PHE 17 CO 0.02 0.15 -0.34 2.89 -0.60 0.00 0.00 178.31 180.43 2fhm n ARG 18 N -4.31 1.54 -0.08 1.51 1.85 -0.54 -3.98 116.66 112.65 2fhm n ARG 18 Ca -0.03 -0.98 -0.01 0.00 -1.00 0.00 0.00 57.85 55.84 2fhm n ARG 18 Cb 0.22 -1.35 0.26 0.00 -1.05 0.00 0.00 32.46 30.54 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 2.26 0.72 -0.61 2.89 3.20 -1.18 -3.23 116.97 121.01 2fhm h TYR 19 Ca 0.00 -0.05 0.12 0.00 3.14 0.00 0.00 58.73 61.94 2fhm h TYR 19 Cb 0.65 -0.22 -0.12 0.00 1.54 0.00 0.00 36.73 38.58 2fhm h TYR 19 CO 0.00 0.60 -0.17 0.35 -1.64 0.00 0.00 178.16 177.30 2fhm h PHE 20 N 0.70 -0.36 -0.84 -3.82 3.57 -1.37 0.17 116.94 114.99 2fhm h PHE 20 Ca 0.16 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2fhm h PHE 20 Cb 0.22 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 2fhm h PHE 20 CO 0.01 -0.27 0.38 -0.39 -2.23 0.00 0.00 178.31 175.81 2fhm h VAL 21 N -0.01 1.26 0.00 1.41 -1.51 -1.78 -0.94 116.25 114.67 2fhm h VAL 21 Ca 0.29 -0.76 -0.05 0.00 -1.23 0.00 0.00 66.70 64.95 2fhm h VAL 21 Cb 0.46 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 29.82 2fhm h VAL 21 CO -0.64 0.32 -0.26 1.56 -1.23 0.00 0.00 177.57 177.32 2fhm h GLN 22 N 1.20 0.00 -0.30 5.19 1.08 -1.19 0.10 115.11 121.19 2fhm h GLN 22 Ca 0.28 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.44 2fhm h GLN 22 Cb 0.15 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2fhm h GLN 22 CO -0.03 0.26 0.01 0.00 -0.95 0.00 0.00 178.83 178.12 2fhm h MET 23 N 0.00 0.52 -0.61 1.46 -0.00 -0.01 -1.42 114.93 114.87 2fhm h MET 23 Ca -0.00 -0.16 -0.04 0.00 -0.00 0.00 0.00 59.70 59.50 2fhm h MET 23 Cb 0.91 -0.05 -0.03 0.00 -0.00 0.00 0.00 31.60 32.43 2fhm h MET 23 CO 0.03 0.66 0.24 0.93 -0.00 0.00 0.00 176.91 178.77 2fhm h GLU 24 N 0.32 0.90 0.28 -0.10 4.39 -0.58 -0.50 114.58 119.29 2fhm h GLU 24 Ca 0.09 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2fhm h GLU 24 Cb 0.41 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2fhm h GLU 24 CO 0.01 0.74 -0.18 0.00 -1.16 0.00 0.00 179.01 178.42 2fhm h ALA 25 N 1.37 -0.44 -0.37 3.43 0.00 -0.79 -0.99 119.26 121.48 2fhm h ALA 25 Ca 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2fhm h ALA 25 Cb 0.19 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2fhm h ALA 25 CO -0.02 -0.76 0.22 0.22 0.00 0.00 0.00 179.25 178.92 2fhm h ASP 26 N -0.45 0.44 -0.15 0.00 3.58 -1.07 0.41 116.42 119.18 2fhm h ASP 26 Ca -0.02 -0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.42 2fhm h ASP 26 Cb 0.38 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2fhm h ASP 26 CO 0.02 0.36 0.13 0.50 -2.88 0.00 0.00 179.24 177.37 2fhm h LYS 27 N 0.48 0.00 -0.45 0.28 3.11 -0.93 -1.30 116.57 117.77 2fhm h LYS 27 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 2fhm h LYS 27 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 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 -4.21 3.02 -2.76 1.90 1.74 -0.39 -4.97 116.66 110.99 2fhm n ARG 28 Ca 0.01 -2.42 -0.15 0.00 -0.77 0.00 0.00 57.85 54.52 2fhm n ARG 28 Cb 0.25 -1.52 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.63 -2.72 -1.48 5.56 5.02 -0.49 -4.86 118.16 119.82 2fhm n LYS 29 Ca 0.18 0.49 -0.30 0.00 -2.02 0.00 0.00 58.31 56.65 2fhm n LYS 29 Cb 0.61 -5.11 0.09 0.00 -0.02 0.00 0.00 35.03 30.61 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 -5.84 2.62 -0.02 -0.35 1.43 0.03 -4.93 118.68 111.62 2fhm s LEU 30 Ca 0.14 1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 54.62 2fhm s LEU 30 Cb -0.07 -4.01 0.02 0.00 0.03 0.00 0.00 46.19 42.16 2fhm s LEU 30 CO 0.17 -2.03 0.04 0.00 0.23 0.00 0.00 176.35 174.76 2fhm s ALA 31 N -3.10 -0.03 0.00 4.21 0.00 -1.08 -4.51 121.76 117.25 2fhm s ALA 31 Ca 0.61 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2fhm s ALA 31 Cb -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2fhm s ALA 31 CO 0.55 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2fhm n GLY 32 N 3.55 -0.98 3.11 0.00 0.00 -0.26 -0.90 105.19 109.72 2fhm n GLY 32 Ca -0.19 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 0.63 0.02 1.61 -2.14 0.17 -0.92 118.94 115.31 2fhm s TRP 33 Ca 0.00 -1.11 0.07 0.00 2.66 0.00 0.00 56.10 57.71 2fhm s TRP 33 Cb 0.00 -0.41 -0.02 0.00 -3.10 0.00 0.00 33.47 29.94 2fhm s TRP 33 CO 0.00 -0.43 -0.20 0.54 -2.66 0.00 0.00 176.95 174.20 2fhm s VAL 34 N -3.96 1.61 0.12 -0.66 0.11 -0.47 -1.52 120.40 115.63 2fhm s VAL 34 Ca 0.13 -1.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.06 2fhm s VAL 34 Cb 0.08 -1.38 -0.02 0.00 -1.53 0.00 0.00 36.38 33.52 2fhm s VAL 34 CO -0.06 0.29 0.14 -0.75 -3.33 0.00 0.00 175.10 171.39 2fhm s LYS 35 N -0.91 0.92 -0.20 1.54 2.20 0.16 -1.11 119.74 122.34 2fhm s LYS 35 Ca 0.07 -1.21 -0.02 0.00 -0.36 0.00 0.00 55.97 54.46 2fhm s LYS 35 Cb -0.08 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2fhm s LYS 35 CO 0.01 -0.28 -0.11 1.21 -0.36 0.00 0.00 175.35 175.81 2fhm s ASN 36 N -2.96 3.82 0.42 1.43 3.84 -1.25 -1.10 114.94 119.14 2fhm s ASN 36 Ca 0.14 -0.49 -0.23 0.00 0.21 0.00 0.00 52.86 52.50 2fhm s ASN 36 Cb 0.06 -1.63 -0.09 0.00 -0.55 0.00 0.00 41.25 39.04 2fhm s ASN 36 CO -0.04 -0.00 1.03 -0.13 -2.79 0.00 0.00 177.10 175.17 2fhm s ARG 37 N 1.34 4.11 0.55 0.43 0.52 0.11 -4.89 118.95 121.12 2fhm s ARG 37 Ca 0.04 1.43 0.22 0.00 -0.52 0.00 0.00 55.73 56.90 2fhm s ARG 37 Cb -0.14 -2.42 1.47 0.00 0.52 0.00 0.00 34.95 34.38 2fhm s ARG 37 CO -0.06 -0.17 2.16 0.22 0.02 0.00 0.00 175.30 177.46 2fhm h ASP 38 N 2.26 0.00 0.14 0.23 3.58 -1.95 -0.82 116.42 119.86 2fhm h ASP 38 Ca -0.49 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.94 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 0.62 0.00 -0.10 -0.78 -2.88 0.00 0.00 179.24 176.09 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.05 -3.46 116.42 116.76 2fhm h ASP 39 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2fhm h ASP 39 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2fhm h ASP 39 CO -0.00 0.10 0.00 0.61 -2.88 0.00 0.00 179.24 177.07 2fhm n GLY 40 N -1.14 1.15 3.73 -0.78 0.00 -0.31 -5.13 105.19 102.71 2fhm n GLY 40 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 2.35 0.28 1.61 3.00 -1.25 -4.73 118.95 120.20 2fhm s ARG 41 Ca 0.00 1.89 -0.16 0.00 0.00 0.00 0.00 55.73 57.46 2fhm s ARG 41 Cb 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 34.95 33.02 2fhm s ARG 41 CO 0.00 -1.70 0.71 0.08 0.00 0.00 0.00 175.30 174.39 2fhm s VAL 42 N -1.72 4.67 0.03 3.52 1.01 -0.49 -0.71 120.40 126.71 2fhm s VAL 42 Ca 0.78 1.01 0.05 0.00 0.00 0.00 0.00 61.98 63.82 2fhm s VAL 42 Cb -0.32 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2fhm s VAL 42 CO 0.42 -0.04 -0.16 -0.70 0.00 0.00 0.00 175.10 174.62 2fhm s GLU 43 N -2.62 1.10 0.00 2.72 2.12 -0.26 -0.95 118.70 120.81 2fhm s GLU 43 Ca 0.50 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 55.08 2fhm s GLU 43 Cb -0.12 -1.13 -0.01 0.00 0.26 0.00 0.00 34.13 33.13 2fhm s GLU 43 CO 0.19 0.29 -0.09 0.42 -0.54 0.00 0.00 175.26 175.53 2fhm s ILE 44 N -0.76 0.67 -0.11 -3.70 1.01 0.10 -0.66 121.20 117.75 2fhm s ILE 44 Ca 0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 2fhm s ILE 44 Cb -0.08 -0.58 0.05 0.00 0.01 0.00 0.00 42.46 41.87 2fhm s ILE 44 CO 0.01 0.12 0.24 -0.22 0.00 0.00 0.00 174.94 175.08 2fhm s LEU 45 N -0.39 0.15 0.12 2.97 0.20 -0.57 -1.04 118.68 120.12 2fhm s LEU 45 Ca 0.02 0.51 -0.12 0.00 0.69 0.00 0.00 54.13 55.24 2fhm s LEU 45 Cb -0.04 0.66 0.01 0.00 -0.43 0.00 0.00 46.19 46.38 2fhm s LEU 45 CO -0.00 -0.20 0.29 0.00 -0.29 0.00 0.00 176.35 176.15 2fhm s ALA 46 N 1.74 -0.46 0.17 5.97 0.00 -1.20 -0.65 121.76 127.33 2fhm s ALA 46 Ca -0.05 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.52 2fhm s ALA 46 Cb -0.11 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 2fhm s ALA 46 CO -0.08 -0.59 0.04 -1.83 0.00 0.00 0.00 175.76 173.30 2fhm s GLU 47 N -3.86 2.55 0.00 0.00 -1.05 -0.08 -1.59 118.70 114.68 2fhm s GLU 47 Ca 0.06 -1.03 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 2fhm s GLU 47 Cb 0.03 -2.45 0.00 0.00 -0.44 0.00 0.00 34.13 31.28 2fhm s GLU 47 CO -0.09 0.47 0.00 0.41 0.95 0.00 0.00 175.26 177.00 2fhm n GLY 48 N -0.15 -0.84 3.77 -3.83 0.00 -0.39 -2.63 105.19 101.12 2fhm n GLY 48 Ca -0.09 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 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 2.59 0.14 1.61 0.04 -1.26 -1.58 135.00 134.54 2fhm s PRO 49 Ca 0.00 1.26 -0.19 0.00 0.04 0.00 0.00 61.00 62.12 2fhm s PRO 49 Cb 0.00 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.62 2fhm s PRO 49 CO 0.00 -1.40 1.72 1.49 0.04 0.00 0.00 177.00 178.85 2fhm h GLU 50 N -0.50 0.08 -0.46 4.56 4.81 -1.97 -1.39 114.58 119.71 2fhm h GLU 50 Ca -0.45 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 2fhm h GLU 50 Cb 1.24 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 2fhm h GLU 50 CO 0.53 0.05 -0.12 -0.97 -0.73 0.00 0.00 179.01 177.77 2fhm h ASN 51 N 0.08 0.85 -0.01 1.04 -1.24 -1.98 -0.12 115.58 114.20 2fhm h ASN 51 Ca 0.12 -0.27 -0.00 0.00 0.71 0.00 0.00 56.30 56.86 2fhm h ASN 51 Cb 0.16 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 2fhm h ASN 51 CO -0.20 0.99 0.01 0.00 -1.29 0.00 0.00 177.43 176.93 2fhm h ALA 52 N 1.09 0.01 -0.48 1.57 0.00 -1.79 -0.29 119.26 119.37 2fhm h ALA 52 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2fhm h ALA 52 Cb 0.63 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2fhm h ALA 52 CO 0.04 -0.43 0.25 -0.07 0.00 0.00 0.00 179.25 179.04 2fhm h LEU 53 N -0.09 0.61 -0.10 0.00 3.38 -1.00 -1.26 115.31 116.85 2fhm h LEU 53 Ca 0.00 -0.11 -0.23 0.00 0.09 0.00 0.00 57.88 57.63 2fhm h LEU 53 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2fhm h LEU 53 CO -0.00 0.55 -1.02 1.56 0.09 0.00 0.00 178.44 179.61 2fhm h GLN 54 N 0.63 0.31 -0.24 1.13 4.20 -0.98 -1.14 115.11 119.02 2fhm h GLN 54 Ca 0.17 -0.39 -0.12 0.00 0.06 0.00 0.00 58.65 58.37 2fhm h GLN 54 Cb 0.08 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2fhm h GLN 54 CO -0.02 1.10 -0.36 0.77 -0.67 0.00 0.00 178.83 179.65 2fhm h SER 55 N 0.15 0.55 -0.22 1.46 0.02 -1.01 -1.08 113.55 113.43 2fhm h SER 55 Ca -0.09 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2fhm h SER 55 Cb 1.69 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 64.05 2fhm h SER 55 CO 0.17 0.87 0.06 0.15 -1.14 0.00 0.00 176.83 176.94 2fhm h PHE 56 N 0.45 0.11 -0.77 3.45 3.04 -1.12 -0.90 116.94 121.19 2fhm h PHE 56 Ca 0.05 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.09 2fhm h PHE 56 Cb 0.83 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 39.26 2fhm h PHE 56 CO 0.03 0.05 0.44 0.28 -2.02 0.00 0.00 178.31 177.09 2fhm h VAL 57 N 0.16 0.93 -0.74 1.41 2.07 -0.65 -0.86 116.25 118.57 2fhm h VAL 57 Ca 0.10 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2fhm h VAL 57 Cb 0.07 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 2fhm h VAL 57 CO -0.11 0.14 0.41 -0.33 0.02 0.00 0.00 177.57 177.70 2fhm h GLU 58 N 0.76 1.03 -0.92 1.57 5.08 -0.85 0.10 114.58 121.35 2fhm h GLU 58 Ca 0.36 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 2fhm h GLU 58 Cb 0.29 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2fhm h GLU 58 CO -0.22 0.76 0.59 0.00 -1.00 0.00 0.00 179.01 179.14 2fhm h ALA 59 N 1.21 1.24 0.10 3.43 0.00 0.15 0.46 119.26 125.84 2fhm h ALA 59 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2fhm h ALA 59 Cb 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2fhm h ALA 59 CO -0.04 0.42 -0.05 0.28 0.00 0.00 0.00 179.25 179.86 2fhm h VAL 60 N 1.12 1.12 -0.82 0.00 2.07 -0.87 -3.32 116.25 115.55 2fhm h VAL 60 Ca 0.38 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 2fhm h VAL 60 Cb 0.06 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2fhm h VAL 60 CO -0.14 0.28 0.43 0.50 0.02 0.00 0.00 177.57 178.67 2fhm h LYS 61 N -0.75 1.16 0.00 1.57 3.64 -0.53 -0.81 116.57 120.85 2fhm h LYS 61 Ca -0.01 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2fhm h LYS 61 Cb 0.56 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2fhm h LYS 61 CO 0.02 0.86 -0.02 -0.97 -2.27 0.00 0.00 179.45 177.07 2fhm h ASN 62 N 1.16 0.00 -3.78 4.20 -1.24 -1.06 -3.45 115.58 111.41 2fhm h ASN 62 Ca 0.29 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.44 2fhm h ASN 62 Cb 0.06 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.06 2fhm h ASN 62 CO -0.04 0.02 -0.30 0.61 -1.29 0.00 0.00 177.43 176.43 2fhm n GLY 63 N -0.64 -2.01 3.29 1.57 0.00 -0.31 -4.96 105.19 102.14 2fhm n GLY 63 Ca -0.02 -1.36 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 2fhm n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2fhm n SER 64 N -2.91 -0.66 0.06 1.61 3.41 0.18 -4.73 113.62 110.58 2fhm n SER 64 Ca -0.01 -3.25 0.21 0.00 -0.26 0.00 0.00 58.87 55.56 2fhm n SER 64 Cb 0.25 1.69 0.65 0.00 -0.26 0.00 0.00 64.21 66.54 2fhm n SER 64 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2fhm h PRO 65 N 0.00 0.00 0.00 4.33 0.11 -1.99 -3.32 132.00 131.13 2fhm h PRO 65 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2fhm h PRO 65 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2fhm h PRO 65 CO 0.36 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.12 2fhm n PHE 66 N -3.43 0.00 -4.34 0.65 1.16 -1.26 -5.13 117.46 105.11 2fhm n PHE 66 Ca 0.10 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.49 2fhm n PHE 66 Cb 0.84 0.04 -0.10 0.00 -1.61 0.00 0.00 39.48 38.65 2fhm n PHE 66 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2fhm s SER 67 N 0.00 2.54 -0.12 5.98 0.01 -1.25 -4.94 113.70 115.92 2fhm s SER 67 Ca 0.00 -0.99 -0.24 0.00 1.31 0.00 0.00 55.95 56.03 2fhm s SER 67 Cb 0.00 -0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.15 2fhm s SER 67 CO 0.00 -0.15 0.59 -1.59 0.41 0.00 0.00 173.24 172.49 2fhm s LYS 68 N -3.49 0.85 0.47 12.44 0.00 -0.59 -0.65 119.74 128.77 2fhm s LYS 68 Ca 0.21 0.43 -0.11 0.00 0.00 0.00 0.00 55.97 56.49 2fhm s LYS 68 Cb -0.02 0.40 -0.06 0.00 0.00 0.00 0.00 37.83 38.16 2fhm s LYS 68 CO 0.06 -0.20 0.86 0.14 0.00 0.00 0.00 175.35 176.21 2fhm s VAL 69 N -0.58 4.73 0.00 1.79 -7.23 -1.26 -0.82 120.40 117.02 2fhm s VAL 69 Ca -0.07 0.74 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 2fhm s VAL 69 Cb -0.03 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.15 2fhm s VAL 69 CO 0.05 -0.70 0.00 0.35 -0.31 0.00 0.00 175.10 174.50 2fhm n THR 70 N -1.71 0.00 -3.75 5.32 -2.24 0.46 -4.89 114.28 107.47 2fhm n THR 70 Ca 0.04 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 2fhm n THR 70 Cb 0.54 0.86 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.09 -0.28 -0.10 3.42 2.15 -0.86 -5.00 116.67 114.92 2fhm s ASP 71 Ca 0.00 0.37 -0.16 0.00 0.43 0.00 0.00 52.55 53.19 2fhm s ASP 71 Cb 0.00 0.49 0.04 0.00 -0.30 0.00 0.00 42.92 43.15 2fhm s ASP 71 CO 0.00 -0.32 0.39 -0.51 -0.17 0.00 0.00 175.17 174.56 2fhm s ILE 72 N -0.71 0.02 0.01 4.11 2.07 -1.26 -1.41 121.20 124.04 2fhm s ILE 72 Ca -0.08 -0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.00 2fhm s ILE 72 Cb -0.04 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 41.92 2fhm s ILE 72 CO 0.03 -0.09 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.50 2fhm s SER 73 N -0.43 0.24 0.01 4.50 0.01 -0.24 -5.01 113.70 112.78 2fhm s SER 73 Ca -0.06 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2fhm s SER 73 Cb -0.03 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 2fhm s SER 73 CO 0.03 -0.15 -0.02 -0.69 0.41 0.00 0.00 173.24 172.81 2fhm s VAL 74 N -0.82 0.14 0.08 3.43 1.01 -1.26 -1.11 120.40 121.86 2fhm s VAL 74 Ca -0.08 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.51 2fhm s VAL 74 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 2fhm s VAL 74 CO -0.00 -0.19 -0.14 -0.89 0.00 0.00 0.00 175.10 173.88 2fhm s THR 75 N -0.63 1.10 0.03 3.92 2.01 0.05 -5.00 115.64 117.12 2fhm s THR 75 Ca -0.06 -1.38 0.03 0.00 0.31 0.00 0.00 61.69 60.59 2fhm s THR 75 Cb -0.05 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 2fhm s THR 75 CO -0.00 -0.29 -0.10 -1.61 -0.69 0.00 0.00 174.62 171.93 2fhm s GLU 76 N -1.95 0.67 0.24 4.92 2.02 -1.26 -0.85 118.70 122.49 2fhm s GLU 76 Ca -0.00 -0.63 -0.00 0.00 0.02 0.00 0.00 54.97 54.35 2fhm s GLU 76 Cb -0.09 -0.59 0.00 0.00 0.10 0.00 0.00 34.13 33.55 2fhm s GLU 76 CO 0.02 0.14 0.32 0.43 0.02 0.00 0.00 175.26 176.19 2fhm n SER 77 N 1.97 -0.88 -0.01 -0.19 7.64 -0.17 -4.99 113.62 117.00 2fhm n SER 77 Ca -0.19 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.37 2fhm n SER 77 Cb 0.55 1.67 0.00 0.00 -1.01 0.00 0.00 64.21 65.43 2fhm n SER 77 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2fhm n ARG 78 N -0.40 1.81 0.19 1.43 5.12 -1.26 -1.28 116.66 122.26 2fhm n ARG 78 Ca 0.01 -1.14 0.03 0.00 -1.93 0.00 0.00 57.85 54.82 2fhm n ARG 78 Cb 0.40 -0.82 0.37 0.00 -1.16 0.00 0.00 32.46 31.26 2fhm n ARG 78 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2fhm h SER 79 N 0.00 0.00 -3.48 0.55 0.02 -1.89 -3.44 113.55 105.31 2fhm h SER 79 Ca 0.00 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 61.29 2fhm h SER 79 Cb 0.71 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.12 2fhm h SER 79 CO 0.00 0.36 -0.77 0.18 -1.14 0.00 0.00 176.83 175.46 2fhm n LEU 80 N -4.03 -0.78 0.00 5.07 4.77 -1.26 -4.99 117.00 115.77 2fhm n LEU 80 Ca -0.02 1.77 0.00 0.00 -0.03 0.00 0.00 56.01 57.73 2fhm n LEU 80 Cb 0.41 -4.24 0.00 0.00 -2.33 0.00 0.00 43.42 37.25 2fhm n LEU 80 CO 0.38 -2.92 -0.02 -0.62 -1.33 0.00 0.00 177.39 172.88 2fhm n GLU 81 N -4.13 0.18 -2.33 3.23 -0.58 -1.26 -5.04 120.64 110.71 2fhm n GLU 81 Ca -0.03 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.56 2fhm n GLU 81 Cb 0.62 -0.52 -0.00 0.00 -0.57 0.00 0.00 31.44 30.96 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 0.72 -0.24 3.77 0.62 0.00 -1.26 -5.03 105.19 103.77 2fhm n GLY 82 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2fhm n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2fhm s HIS 83 N -2.77 2.67 -0.01 1.61 5.04 -1.26 -5.03 115.29 115.55 2fhm s HIS 83 Ca 0.02 1.24 0.01 0.00 -1.54 0.00 0.00 55.06 54.79 2fhm s HIS 83 Cb -0.01 -3.11 0.02 0.00 0.04 0.00 0.00 32.58 29.52 2fhm s HIS 83 CO 0.02 -1.92 0.74 0.72 -2.34 0.00 0.00 174.74 171.96 2fhm n HIS 84 N -3.56 0.00 -4.05 3.88 8.25 -1.26 -4.93 115.22 113.55 2fhm n HIS 84 Ca 0.07 -0.21 -0.10 0.00 -0.26 0.00 0.00 57.72 57.22 2fhm n HIS 84 Cb 0.55 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 2fhm n HIS 84 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2fhm s ARG 85 N -0.47 1.23 0.11 -0.41 0.52 -1.26 -5.07 118.95 113.60 2fhm s ARG 85 Ca 0.02 -1.33 -0.18 0.00 -0.52 0.00 0.00 55.73 53.72 2fhm s ARG 85 Cb 0.02 0.36 -0.07 0.00 0.52 0.00 0.00 34.95 35.77 2fhm s ARG 85 CO 0.00 -0.45 0.59 -0.59 0.02 0.00 0.00 175.30 174.87 2fhm s PHE 86 N -4.03 3.73 0.18 -0.53 -0.12 -1.26 -1.10 117.98 114.85 2fhm s PHE 86 Ca 0.24 1.23 0.03 0.00 -0.05 0.00 0.00 56.93 58.39 2fhm s PHE 86 Cb 0.04 -2.48 -0.05 0.00 -0.63 0.00 0.00 43.02 39.90 2fhm s PHE 86 CO 0.05 0.51 -0.03 -1.12 -0.05 0.00 0.00 175.22 174.58 2fhm s SER 87 N -1.35 1.51 -0.03 1.98 0.01 -0.09 -4.95 113.70 110.77 2fhm s SER 87 Ca 0.33 -1.14 -0.00 0.00 1.31 0.00 0.00 55.95 56.46 2fhm s SER 87 Cb -0.18 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.13 2fhm s SER 87 CO 0.19 -0.49 0.01 -0.63 0.41 0.00 0.00 173.24 172.74 2fhm s ILE 88 N -3.51 0.13 0.10 1.44 1.01 -1.26 -1.37 121.20 117.74 2fhm s ILE 88 Ca 0.22 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 61.02 2fhm s ILE 88 Cb 0.05 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 2fhm s ILE 88 CO 0.04 0.16 0.00 0.54 0.00 0.00 0.00 174.94 175.68 2fhm s VAL 89 N 1.29 0.29 0.00 2.92 0.11 -0.27 -4.96 120.40 119.79 2fhm s VAL 89 Ca -0.06 -1.89 0.00 0.00 -2.93 0.00 0.00 61.98 57.10 2fhm s VAL 89 Cb -0.13 -1.81 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 2fhm s VAL 89 CO -0.02 -0.72 0.00 0.00 -3.33 0.00 0.00 175.10 171.03 2fhm n TYR 90 N -0.03 0.00 0.00 1.54 9.36 -1.26 -3.95 117.16 122.81 2fhm n TYR 90 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 2fhm n TYR 90 Cb 0.62 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51