#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 -3.59 -0.89 7.94 -0.83 -4.84 117.00 114.79 2fhm n LEU 2 Ca 0.00 -2.78 -0.12 0.00 -1.11 0.00 0.00 56.01 52.01 2fhm n LEU 2 Cb 0.00 1.54 -0.05 0.00 0.53 0.00 0.00 43.42 45.44 2fhm n LEU 2 CO 0.00 -0.47 0.22 -1.58 -1.11 0.00 0.00 177.39 174.45 2fhm s GLN 3 N -3.16 1.07 0.34 1.96 0.74 -0.21 -1.15 119.66 119.25 2fhm s GLN 3 Ca 0.35 -0.52 0.10 0.00 0.05 0.00 0.00 55.36 55.33 2fhm s GLN 3 Cb 0.02 0.48 -0.06 0.00 1.10 0.00 0.00 33.01 34.54 2fhm s GLN 3 CO 0.24 -0.41 -0.10 1.52 -0.55 0.00 0.00 175.29 175.99 2fhm s TYR 4 N -3.32 2.40 -0.02 1.67 -0.85 -0.26 -1.03 117.35 115.94 2fhm s TYR 4 Ca -0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.05 2fhm s TYR 4 Cb 0.01 -1.38 0.02 0.00 0.38 0.00 0.00 41.96 40.99 2fhm s TYR 4 CO -0.09 0.58 0.00 0.50 -1.52 0.00 0.00 175.55 175.03 2fhm s ARG 5 N -3.61 0.22 0.03 -3.49 3.52 -0.28 -2.93 118.95 112.41 2fhm s ARG 5 Ca 0.32 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 56.01 2fhm s ARG 5 Cb 0.02 -0.39 -0.02 0.00 -1.56 0.00 0.00 34.95 33.00 2fhm s ARG 5 CO 0.16 -0.12 -0.06 0.42 -0.81 0.00 0.00 175.30 174.90 2fhm s ILE 6 N 0.88 0.40 -0.02 4.11 1.01 0.01 -0.66 121.20 126.93 2fhm s ILE 6 Ca -0.08 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2fhm s ILE 6 Cb -0.12 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 2fhm s ILE 6 CO -0.02 -0.29 -0.10 -0.63 0.00 0.00 0.00 174.94 173.90 2fhm s ILE 7 N -1.07 0.87 0.04 2.92 -1.09 -0.47 -0.96 121.20 121.44 2fhm s ILE 7 Ca -0.08 -0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 57.88 2fhm s ILE 7 Cb -0.08 -0.76 -0.02 0.00 -1.58 0.00 0.00 42.46 40.02 2fhm s ILE 7 CO 0.00 0.26 0.02 0.68 -1.23 0.00 0.00 174.94 174.67 2fhm s VAL 8 N 0.04 0.17 0.04 2.92 -7.23 -0.14 -1.03 120.40 115.17 2fhm s VAL 8 Ca -0.01 -1.36 -0.04 0.00 -1.81 0.00 0.00 61.98 58.76 2fhm s VAL 8 Cb -0.07 -1.05 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 2fhm s VAL 8 CO 0.00 -0.75 0.05 -0.62 -0.31 0.00 0.00 175.10 173.47 2fhm s ASP 9 N -2.36 0.26 0.00 4.85 2.15 -0.39 -0.73 116.67 120.46 2fhm s ASP 9 Ca -0.02 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.32 2fhm s ASP 9 Cb 0.01 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.84 2fhm s ASP 9 CO -0.06 -0.51 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 2fhm n GLY 10 N 0.71 0.24 3.55 2.66 0.00 -1.26 -0.44 105.19 110.65 2fhm n GLY 10 Ca -0.18 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 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 3.07 0.00 1.61 6.06 -0.44 -4.69 118.95 122.56 2fhm s ARG 11 Ca 0.00 -0.03 0.00 0.00 -2.50 0.00 0.00 55.73 53.20 2fhm s ARG 11 Cb 0.00 -4.22 0.00 0.00 0.06 0.00 0.00 34.95 30.79 2fhm s ARG 11 CO 0.00 -2.27 0.48 1.33 -2.50 0.00 0.00 175.30 172.34 2fhm n VAL 12 N 6.58 0.21 -3.98 7.11 0.24 -1.26 -1.34 118.33 125.89 2fhm n VAL 12 Ca 0.07 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 62.01 2fhm n VAL 12 Cb 0.50 1.15 -0.10 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.21 0.47 0.00 7.34 -1.52 -1.19 -4.28 119.66 120.26 2fhm s GLN 13 Ca 0.00 -0.75 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 2fhm s GLN 13 Cb 0.00 0.17 0.00 0.00 -0.22 0.00 0.00 33.01 32.96 2fhm s GLN 13 CO 0.00 -0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.35 2fhm n GLY 14 N 1.05 3.18 3.70 3.09 0.00 -1.26 -4.66 105.19 110.28 2fhm n GLY 14 Ca -0.20 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 2fhm n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fhm s VAL 15 N -2.02 2.51 0.00 1.61 -7.23 -1.26 -1.63 120.40 112.39 2fhm s VAL 15 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2fhm s VAL 15 Cb 0.00 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.87 2fhm s VAL 15 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2fhm n GLY 16 N 4.15 1.06 0.00 2.32 0.00 -1.26 -4.72 105.19 106.74 2fhm n GLY 16 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 2fhm n GLY 16 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2fhm n PHE 17 N 0.00 0.00 0.13 1.61 3.72 -0.75 -0.58 117.46 121.59 2fhm n PHE 17 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 2fhm n PHE 17 Cb 0.00 -0.36 -0.02 0.00 -0.94 0.00 0.00 39.48 38.16 2fhm n PHE 17 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2fhm n ARG 18 N -1.36 4.80 0.11 -1.08 1.85 -0.64 -3.19 116.66 117.14 2fhm n ARG 18 Ca 0.03 -0.01 0.06 0.00 -1.00 0.00 0.00 57.85 56.93 2fhm n ARG 18 Cb 0.07 -0.74 0.52 0.00 -1.05 0.00 0.00 32.46 31.26 2fhm n ARG 18 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2fhm h TYR 19 N 0.00 0.30 -0.96 2.89 3.20 -1.07 -2.69 116.97 118.63 2fhm h TYR 19 Ca 0.00 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.07 2fhm h TYR 19 Cb 0.10 -0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 2fhm h TYR 19 CO 0.00 0.19 0.61 0.27 -1.64 0.00 0.00 178.16 177.59 2fhm h PHE 20 N 0.32 0.82 -0.21 -3.82 -0.00 -1.54 -0.04 116.94 112.47 2fhm h PHE 20 Ca 0.09 0.03 0.01 0.00 -0.00 0.00 0.00 57.97 58.09 2fhm h PHE 20 Cb -0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 35.95 35.67 2fhm h PHE 20 CO -0.00 0.20 0.13 0.28 -0.00 0.00 0.00 178.31 178.92 2fhm h VAL 21 N 0.60 1.03 0.00 0.88 2.07 -1.79 -0.51 116.25 118.54 2fhm h VAL 21 Ca 0.53 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.89 2fhm h VAL 21 Cb 1.02 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2fhm h VAL 21 CO -0.28 0.05 -0.31 1.56 0.02 0.00 0.00 177.57 178.61 2fhm h GLN 22 N 0.26 0.00 -0.13 1.57 1.08 -1.21 -0.47 115.11 116.21 2fhm h GLN 22 Ca 0.08 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.05 2fhm h GLN 22 Cb -0.01 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2fhm h GLN 22 CO -0.03 0.31 -0.80 0.00 -0.95 0.00 0.00 178.83 177.35 2fhm h MET 23 N 0.00 0.75 0.00 1.46 -0.00 -0.29 -0.28 114.93 116.57 2fhm h MET 23 Ca -0.00 -0.63 -0.10 0.00 -0.00 0.00 0.00 59.70 58.97 2fhm h MET 23 Cb 0.80 0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 32.53 2fhm h MET 23 CO 0.04 1.24 -0.46 0.93 -0.00 0.00 0.00 176.91 178.66 2fhm h GLU 24 N 0.51 0.00 0.04 -0.10 4.39 -1.00 -0.32 114.58 118.09 2fhm h GLU 24 Ca -0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2fhm h GLU 24 Cb 1.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2fhm h GLU 24 CO 0.16 0.46 -0.02 0.00 -1.16 0.00 0.00 179.01 178.45 2fhm h ALA 25 N 1.54 -0.05 -0.90 3.43 0.00 -0.92 -3.06 119.26 119.29 2fhm h ALA 25 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2fhm h ALA 25 Cb 0.82 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2fhm h ALA 25 CO 0.06 -0.39 0.53 0.22 0.00 0.00 0.00 179.25 179.66 2fhm h ASP 26 N -0.32 1.10 0.44 0.00 3.58 -0.89 -0.64 116.42 119.68 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 0.30 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2fhm h ASP 26 CO 0.01 0.85 0.00 0.07 -2.88 0.00 0.00 179.24 177.29 2fhm h LYS 27 N 1.25 0.00 -0.22 0.28 5.09 -1.06 -0.09 116.57 121.82 2fhm h LYS 27 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.06 2fhm h LYS 27 Cb -0.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.30 2fhm h LYS 27 CO -0.06 0.00 0.00 0.54 -2.09 0.00 0.00 179.45 177.84 2fhm n ARG 28 N -2.33 2.70 -2.96 0.07 5.12 -0.75 -4.99 116.66 113.51 2fhm n ARG 28 Ca 0.00 -2.35 -0.17 0.00 -1.93 0.00 0.00 57.85 53.41 2fhm n ARG 28 Cb 0.15 -1.48 -0.01 0.00 -1.16 0.00 0.00 32.46 29.96 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 -2.83 -1.37 5.56 4.76 -0.05 -4.89 118.16 119.06 2fhm n LYS 29 Ca 0.14 0.42 -0.30 0.00 -2.87 0.00 0.00 58.31 55.70 2fhm n LYS 29 Cb 0.61 -5.05 0.09 0.00 -1.84 0.00 0.00 35.03 28.84 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 -5.98 2.77 -0.06 -0.35 1.43 -0.33 -4.99 118.68 111.16 2fhm s LEU 30 Ca 0.22 1.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.90 2fhm s LEU 30 Cb -0.12 -4.24 0.03 0.00 0.03 0.00 0.00 46.19 41.89 2fhm s LEU 30 CO 0.27 -2.04 0.00 0.00 0.23 0.00 0.00 176.35 174.81 2fhm s ALA 31 N -2.99 0.62 0.00 4.21 0.00 -1.12 -4.60 121.76 117.87 2fhm s ALA 31 Ca 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2fhm s ALA 31 Cb -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2fhm s ALA 31 CO 0.56 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2fhm n GLY 32 N 5.01 -0.70 3.19 0.00 0.00 -0.82 -0.91 105.19 110.96 2fhm n GLY 32 Ca -0.09 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 0.60 0.07 1.61 -2.14 0.38 -1.08 118.94 115.37 2fhm s TRP 33 Ca 0.00 -1.01 0.09 0.00 2.66 0.00 0.00 56.10 57.84 2fhm s TRP 33 Cb 0.00 -0.31 -0.03 0.00 -3.10 0.00 0.00 33.47 30.03 2fhm s TRP 33 CO 0.00 -0.55 -0.25 0.54 -2.66 0.00 0.00 176.95 174.03 2fhm s VAL 34 N -3.98 2.06 -0.06 -0.66 0.11 -0.53 -1.56 120.40 115.78 2fhm s VAL 34 Ca 0.17 -1.44 -0.14 0.00 -2.93 0.00 0.00 61.98 57.64 2fhm s VAL 34 Cb 0.06 -1.78 0.03 0.00 -1.53 0.00 0.00 36.38 33.16 2fhm s VAL 34 CO -0.02 0.25 0.32 -0.75 -3.33 0.00 0.00 175.10 171.57 2fhm s LYS 35 N -1.44 0.56 0.59 1.54 2.20 -0.21 -1.12 119.74 121.86 2fhm s LYS 35 Ca 0.11 0.06 -0.16 0.00 -0.36 0.00 0.00 55.97 55.62 2fhm s LYS 35 Cb -0.10 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2fhm s LYS 35 CO 0.03 -0.13 1.07 1.21 -0.36 0.00 0.00 175.35 177.17 2fhm s ASN 36 N -0.75 5.69 0.08 1.43 3.84 -1.26 -0.68 114.94 123.29 2fhm s ASN 36 Ca -0.08 1.90 0.03 0.00 0.21 0.00 0.00 52.86 54.91 2fhm s ASN 36 Cb -0.04 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.08 2fhm s ASN 36 CO 0.03 -1.23 -0.09 0.00 -2.79 0.00 0.00 177.10 173.02 2fhm s ARG 37 N -3.93 0.74 0.50 0.43 1.70 -0.35 -4.77 118.95 113.27 2fhm s ARG 37 Ca 0.65 -1.07 0.15 0.00 -0.47 0.00 0.00 55.73 54.99 2fhm s ARG 37 Cb -0.18 -0.38 1.21 0.00 -0.57 0.00 0.00 34.95 35.03 2fhm s ARG 37 CO 0.35 0.05 2.14 0.22 -1.08 0.00 0.00 175.30 176.98 2fhm h ASP 38 N 3.74 0.07 0.13 -2.89 3.58 -1.99 -1.13 116.42 117.93 2fhm h ASP 38 Ca -0.36 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 2fhm h ASP 38 Cb 1.19 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2fhm h ASP 38 CO 0.51 0.05 -0.08 -0.78 -2.88 0.00 0.00 179.24 176.07 2fhm h ASP 39 N 0.09 0.00 0.00 2.28 3.58 -2.04 -3.46 116.42 116.87 2fhm h ASP 39 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2fhm h ASP 39 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2fhm h ASP 39 CO -0.00 0.08 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 2fhm n GLY 40 N -1.15 2.08 3.47 -0.78 0.00 -0.43 -5.12 105.19 103.26 2fhm n GLY 40 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.03 -2.25 -4.26 1.61 3.00 -1.24 -4.84 116.66 108.65 2fhm n ARG 41 Ca 0.00 -0.63 -0.22 0.00 -0.01 0.00 0.00 57.85 56.99 2fhm n ARG 41 Cb 0.00 -2.14 -0.12 0.00 0.00 0.00 0.00 32.46 30.20 2fhm n ARG 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2fhm s VAL 42 N -2.41 1.56 -0.01 1.55 1.01 0.09 -1.21 120.40 120.99 2fhm s VAL 42 Ca 0.67 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2fhm s VAL 42 Cb -0.24 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2fhm s VAL 42 CO 0.65 -0.11 -0.11 -0.70 0.00 0.00 0.00 175.10 174.83 2fhm s GLU 43 N -1.89 0.93 0.00 2.72 2.12 0.14 -0.96 118.70 121.76 2fhm s GLU 43 Ca 0.04 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 54.97 2fhm s GLU 43 Cb -0.10 -0.90 -0.00 0.00 0.26 0.00 0.00 34.13 33.39 2fhm s GLU 43 CO 0.04 0.25 -0.04 0.42 -0.54 0.00 0.00 175.26 175.38 2fhm s ILE 44 N -0.28 0.33 -0.15 -3.70 1.01 -0.13 -1.05 121.20 117.22 2fhm s ILE 44 Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 2fhm s ILE 44 Cb -0.04 -0.29 0.06 0.00 0.01 0.00 0.00 42.46 42.19 2fhm s ILE 44 CO -0.00 0.05 0.35 -0.22 0.00 0.00 0.00 174.94 175.12 2fhm s LEU 45 N -0.21 -0.10 -0.03 2.97 0.20 -0.60 -0.81 118.68 120.09 2fhm s LEU 45 Ca 0.01 0.79 -0.19 0.00 0.69 0.00 0.00 54.13 55.42 2fhm s LEU 45 Cb -0.02 1.12 0.04 0.00 -0.43 0.00 0.00 46.19 46.90 2fhm s LEU 45 CO -0.00 -0.20 0.40 0.00 -0.29 0.00 0.00 176.35 176.26 2fhm s ALA 46 N 1.72 -1.03 0.30 5.97 0.00 -1.15 -0.47 121.76 127.09 2fhm s ALA 46 Ca -0.07 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 2fhm s ALA 46 Cb -0.10 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 2fhm s ALA 46 CO -0.11 -0.28 0.59 -1.83 0.00 0.00 0.00 175.76 174.12 2fhm s GLU 47 N -1.22 3.69 0.00 0.00 -1.05 -0.09 -1.10 118.70 118.93 2fhm s GLU 47 Ca -0.12 0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 2fhm s GLU 47 Cb -0.04 -2.60 0.00 0.00 -0.44 0.00 0.00 34.13 31.05 2fhm s GLU 47 CO 0.05 0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.86 2fhm n GLY 48 N -0.84 0.04 3.78 -3.83 0.00 -0.30 -2.80 105.19 101.23 2fhm n GLY 48 Ca -0.01 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 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 3.14 0.22 1.61 0.04 -1.26 -1.96 135.00 134.79 2fhm s PRO 49 Ca 0.00 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 2fhm s PRO 49 Cb 0.00 -1.99 0.33 0.00 0.04 0.00 0.00 34.50 32.88 2fhm s PRO 49 CO 0.00 -1.00 1.79 1.49 0.04 0.00 0.00 177.00 179.32 2fhm h GLU 50 N 0.68 0.61 -0.72 4.56 4.81 -1.95 -1.17 114.58 121.40 2fhm h GLU 50 Ca -0.48 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.66 2fhm h GLU 50 Cb 1.25 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 2fhm h GLU 50 CO 0.56 0.41 0.27 -0.97 -0.73 0.00 0.00 179.01 178.55 2fhm h ASN 51 N 0.63 1.01 -0.25 1.04 -1.24 -1.99 -0.08 115.58 114.71 2fhm h ASN 51 Ca 0.35 -0.18 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 2fhm h ASN 51 Cb 0.34 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 2fhm h ASN 51 CO -0.25 0.91 0.04 0.00 -1.29 0.00 0.00 177.43 176.84 2fhm h ALA 52 N 1.13 0.33 -0.42 1.57 0.00 -1.66 -0.42 119.26 119.78 2fhm h ALA 52 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2fhm h ALA 52 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2fhm h ALA 52 CO -0.02 0.02 0.21 -0.07 0.00 0.00 0.00 179.25 179.39 2fhm h LEU 53 N 0.22 0.54 -0.40 0.00 3.38 -1.00 -0.78 115.31 117.27 2fhm h LEU 53 Ca 0.07 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2fhm h LEU 53 Cb 0.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2fhm h LEU 53 CO 0.01 0.50 -0.36 1.56 0.09 0.00 0.00 178.44 180.23 2fhm h GLN 54 N 0.54 0.95 -0.74 1.13 1.08 -0.97 -0.67 115.11 116.42 2fhm h GLN 54 Ca 0.15 -0.49 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 2fhm h GLN 54 Cb 0.09 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 2fhm h GLN 54 CO -0.02 1.14 0.42 0.77 -0.95 0.00 0.00 178.83 180.19 2fhm h SER 55 N 0.77 0.91 -0.11 1.46 0.02 -0.90 -0.61 113.55 115.09 2fhm h SER 55 Ca 0.07 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2fhm h SER 55 Cb 0.95 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2fhm h SER 55 CO 0.09 0.73 -0.01 0.15 -1.14 0.00 0.00 176.83 176.66 2fhm h PHE 56 N 1.02 -0.02 -0.71 3.45 3.04 -0.99 -1.20 116.94 121.53 2fhm h PHE 56 Ca 0.26 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.28 2fhm h PHE 56 Cb 0.01 0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.49 2fhm h PHE 56 CO -0.00 -0.02 0.40 0.28 -2.02 0.00 0.00 178.31 176.94 2fhm h VAL 57 N 0.02 0.97 -0.77 1.41 2.07 -0.41 0.02 116.25 119.56 2fhm h VAL 57 Ca 0.05 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2fhm h VAL 57 Cb 0.06 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 2fhm h VAL 57 CO -0.09 0.13 0.42 -0.33 0.02 0.00 0.00 177.57 177.72 2fhm h GLU 58 N 0.73 1.08 -0.51 1.57 5.08 -0.90 0.43 114.58 122.07 2fhm h GLU 58 Ca 0.32 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2fhm h GLU 58 Cb 0.20 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2fhm h GLU 58 CO -0.19 0.80 0.27 0.00 -1.00 0.00 0.00 179.01 178.90 2fhm h ALA 59 N 1.22 0.65 0.26 3.43 0.00 0.06 0.47 119.26 125.35 2fhm h ALA 59 Ca 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2fhm h ALA 59 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2fhm h ALA 59 CO -0.04 0.18 -0.13 0.28 0.00 0.00 0.00 179.25 179.55 2fhm h VAL 60 N 0.68 0.79 -0.92 0.00 2.07 -0.77 -2.73 116.25 115.36 2fhm h VAL 60 Ca 0.18 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.42 2fhm h VAL 60 Cb 0.06 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 2fhm h VAL 60 CO -0.03 0.07 0.60 0.50 0.02 0.00 0.00 177.57 178.73 2fhm h LYS 61 N -0.51 1.12 0.00 1.57 3.64 -0.70 -0.29 116.57 121.39 2fhm h LYS 61 Ca -0.04 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2fhm h LYS 61 Cb 0.38 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2fhm h LYS 61 CO 0.06 0.74 -0.18 -0.97 -2.27 0.00 0.00 179.45 176.83 2fhm h ASN 62 N 1.15 0.00 -6.00 4.20 -1.24 -0.93 -3.44 115.58 109.32 2fhm h ASN 62 Ca 0.37 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.97 2fhm h ASN 62 Cb 0.02 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.14 2fhm h ASN 62 CO -0.13 0.18 -0.78 0.61 -1.29 0.00 0.00 177.43 176.03 2fhm n GLY 63 N -0.04 -0.39 0.31 1.57 0.00 -0.12 -4.93 105.19 101.59 2fhm n GLY 63 Ca -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.05 0.84 -1.70 1.61 0.02 -1.78 -3.43 113.55 107.06 2fhm h SER 64 Ca -0.59 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.27 2fhm h SER 64 Cb 1.36 -0.18 0.05 0.00 0.14 0.00 0.00 62.40 63.77 2fhm h SER 64 CO 0.57 0.57 -0.01 -2.65 -1.14 0.00 0.00 176.83 174.18 2fhm n PRO 65 N -4.60 -2.07 -0.35 3.45 -0.02 -1.26 -4.95 135.00 125.20 2fhm n PRO 65 Ca 0.10 -0.37 -0.01 0.00 -2.02 0.00 0.00 63.50 61.20 2fhm n PRO 65 Cb 0.10 -0.41 0.14 0.00 -0.02 0.00 0.00 33.50 33.31 2fhm n PRO 65 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2fhm h PHE 66 N -2.08 1.21 -4.12 6.00 -5.15 -1.99 -3.42 116.94 107.38 2fhm h PHE 66 Ca -0.09 0.03 -0.49 0.00 -0.20 0.00 0.00 57.97 57.22 2fhm h PHE 66 Cb 0.30 -0.41 0.05 0.00 0.22 0.00 0.00 35.95 36.12 2fhm h PHE 66 CO 0.00 0.74 0.39 -1.12 -2.00 0.00 0.00 178.31 176.32 2fhm s SER 67 N -6.11 5.92 -0.10 -0.68 0.01 -1.26 -5.02 113.70 106.46 2fhm s SER 67 Ca -0.13 1.97 -0.20 0.00 1.31 0.00 0.00 55.95 58.91 2fhm s SER 67 Cb 0.18 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.90 2fhm s SER 67 CO 0.81 -1.07 0.48 -1.59 0.41 0.00 0.00 173.24 172.28 2fhm s LYS 68 N -3.55 0.72 0.48 12.44 0.00 -0.45 -4.46 119.74 124.93 2fhm s LYS 68 Ca 0.68 0.31 -0.11 0.00 0.00 0.00 0.00 55.97 56.84 2fhm s LYS 68 Cb -0.19 0.34 -0.06 0.00 0.00 0.00 0.00 37.83 37.92 2fhm s LYS 68 CO 0.28 -0.17 0.87 0.14 0.00 0.00 0.00 175.35 176.48 2fhm s VAL 69 N -0.59 4.73 0.00 1.79 -7.23 -1.26 -1.33 120.40 116.51 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 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.13 2fhm s VAL 69 CO 0.04 -0.73 0.04 0.35 -0.31 0.00 0.00 175.10 174.49 2fhm n THR 70 N -1.80 0.00 -3.73 5.32 -2.24 0.42 -4.89 114.28 107.37 2fhm n THR 70 Ca 0.04 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2fhm n THR 70 Cb 0.54 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.68 -0.43 -0.13 3.42 2.15 -0.87 -4.99 116.67 115.14 2fhm s ASP 71 Ca 0.00 0.83 -0.17 0.00 0.43 0.00 0.00 52.55 53.64 2fhm s ASP 71 Cb 0.00 0.84 0.04 0.00 -0.30 0.00 0.00 42.92 43.50 2fhm s ASP 71 CO 0.00 -0.14 0.46 -0.51 -0.17 0.00 0.00 175.17 174.80 2fhm s ILE 72 N 0.25 0.01 0.00 4.11 2.07 -1.26 -1.26 121.20 125.13 2fhm s ILE 72 Ca -0.00 -0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.13 2fhm s ILE 72 Cb -0.03 -0.68 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 2fhm s ILE 72 CO 0.00 -0.05 0.03 -0.44 -1.91 0.00 0.00 174.94 172.57 2fhm s SER 73 N -0.17 0.08 -0.01 4.50 0.01 -0.20 -5.01 113.70 112.90 2fhm s SER 73 Ca -0.04 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.05 2fhm s SER 73 Cb -0.03 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2fhm s SER 73 CO 0.02 -0.18 -0.03 -0.69 0.41 0.00 0.00 173.24 172.77 2fhm s VAL 74 N -0.76 0.25 0.09 3.43 1.01 -1.26 -1.37 120.40 121.78 2fhm s VAL 74 Ca -0.08 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2fhm s VAL 74 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 2fhm s VAL 74 CO -0.00 0.08 -0.12 -0.89 0.00 0.00 0.00 175.10 174.17 2fhm s THR 75 N 0.05 1.04 0.08 3.92 2.01 0.16 -5.01 115.64 117.89 2fhm s THR 75 Ca -0.00 -1.48 0.05 0.00 0.31 0.00 0.00 61.69 60.56 2fhm s THR 75 Cb -0.03 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2fhm s THR 75 CO -0.00 -0.39 -0.13 -1.61 -0.69 0.00 0.00 174.62 171.79 2fhm s GLU 76 N -2.28 0.82 0.16 4.92 2.02 -1.26 -1.13 118.70 121.96 2fhm s GLU 76 Ca 0.02 -1.00 -0.08 0.00 0.02 0.00 0.00 54.97 53.93 2fhm s GLU 76 Cb -0.06 -0.75 -0.01 0.00 0.10 0.00 0.00 34.13 33.40 2fhm s GLU 76 CO 0.01 0.16 0.27 -1.12 0.02 0.00 0.00 175.26 174.60 2fhm s SER 77 N -1.90 0.06 0.00 -0.19 0.01 -0.20 -4.96 113.70 106.53 2fhm s SER 77 Ca -0.01 -0.90 0.01 0.00 1.31 0.00 0.00 55.95 56.37 2fhm s SER 77 Cb -0.09 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.59 2fhm s SER 77 CO 0.02 -0.88 0.61 0.54 0.41 0.00 0.00 173.24 173.94 2fhm n ARG 78 N -0.21 -0.29 -0.18 12.44 3.00 -1.26 -1.04 116.66 129.12 2fhm n ARG 78 Ca -0.07 -0.72 -0.02 0.00 -0.01 0.00 0.00 57.85 57.03 2fhm n ARG 78 Cb 0.63 -1.03 0.20 0.00 0.00 0.00 0.00 32.46 32.26 2fhm n ARG 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2fhm h SER 79 N 0.28 0.84 -3.25 0.55 0.02 -1.94 -3.47 113.55 106.58 2fhm h SER 79 Ca 0.00 -0.10 0.35 0.00 -0.84 0.00 0.00 61.79 61.21 2fhm h SER 79 Cb 0.12 -0.22 -0.14 0.00 0.14 0.00 0.00 62.40 62.31 2fhm h SER 79 CO 0.00 0.73 -0.84 0.18 -1.14 0.00 0.00 176.83 175.76 2fhm n LEU 80 N -4.33 -0.82 0.00 5.07 4.32 -1.26 -4.93 117.00 115.04 2fhm n LEU 80 Ca 0.06 1.88 0.00 0.00 -0.02 0.00 0.00 56.01 57.93 2fhm n LEU 80 Cb 0.14 -4.52 0.00 0.00 -1.62 0.00 0.00 43.42 37.43 2fhm n LEU 80 CO 0.39 -2.91 -0.35 -0.62 -1.22 0.00 0.00 177.39 172.68 2fhm n GLU 81 N -4.17 1.87 -1.78 3.23 -0.58 -1.26 -5.00 120.64 112.95 2fhm n GLU 81 Ca -0.03 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.58 2fhm n GLU 81 Cb 0.67 -0.85 -0.03 0.00 -0.57 0.00 0.00 31.44 30.67 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 1.74 0.65 3.76 0.62 0.00 -1.26 -5.01 105.19 105.68 2fhm n GLY 82 Ca 0.00 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.55 3.63 -0.06 1.61 2.46 -1.26 -4.95 115.29 114.17 2fhm s HIS 83 Ca 0.00 1.72 0.09 0.00 0.47 0.00 0.00 55.06 57.34 2fhm s HIS 83 Cb 0.00 -3.24 0.15 0.00 -0.13 0.00 0.00 32.58 29.35 2fhm s HIS 83 CO 0.00 -0.43 1.07 0.72 -2.47 0.00 0.00 174.74 173.64 2fhm n HIS 84 N 1.36 0.00 -4.06 3.88 8.25 -1.26 -4.85 115.22 118.54 2fhm n HIS 84 Ca -0.01 -0.46 -0.14 0.00 -0.26 0.00 0.00 57.72 56.85 2fhm n HIS 84 Cb 0.45 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.18 1.93 -0.03 -0.41 1.70 -1.26 -5.09 118.95 114.61 2fhm s ARG 85 Ca 0.15 -1.72 0.01 0.00 -0.47 0.00 0.00 55.73 53.70 2fhm s ARG 85 Cb 0.14 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 35.00 2fhm s ARG 85 CO -0.00 -0.81 -0.02 -0.59 -1.08 0.00 0.00 175.30 172.80 2fhm s PHE 86 N -3.02 0.46 0.12 5.89 -0.12 -1.26 -1.95 117.98 118.10 2fhm s PHE 86 Ca 0.29 -0.08 -0.05 0.00 -0.05 0.00 0.00 56.93 57.04 2fhm s PHE 86 Cb -0.01 -0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 41.91 2fhm s PHE 86 CO 0.19 -0.12 0.14 -1.12 -0.05 0.00 0.00 175.22 174.27 2fhm s SER 87 N 0.72 0.21 -0.13 1.98 0.01 -0.24 -4.95 113.70 111.30 2fhm s SER 87 Ca -0.08 -0.95 -0.00 0.00 1.31 0.00 0.00 55.95 56.23 2fhm s SER 87 Cb -0.11 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.48 2fhm s SER 87 CO -0.01 -0.76 -0.08 -0.63 0.41 0.00 0.00 173.24 172.17 2fhm s ILE 88 N -3.96 1.16 0.68 1.44 1.01 -1.26 -1.45 121.20 118.82 2fhm s ILE 88 Ca 0.15 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 2fhm s ILE 88 Cb 0.06 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.34 2fhm s ILE 88 CO -0.04 0.32 1.12 -0.69 0.00 0.00 0.00 174.94 175.66 2fhm s VAL 89 N 1.64 3.08 0.18 2.92 1.01 -0.27 -4.96 120.40 124.00 2fhm s VAL 89 Ca 0.04 0.49 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 2fhm s VAL 89 Cb -0.13 -3.01 0.08 0.00 0.00 0.00 0.00 36.38 33.32 2fhm s VAL 89 CO -0.09 -0.32 1.83 1.88 0.00 0.00 0.00 175.10 178.40 2fhm h TYR 90 N -0.14 0.74 0.00 5.22 0.05 -2.01 -3.47 116.97 117.37 2fhm h TYR 90 Ca -0.47 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.32 2fhm h TYR 90 Cb 1.25 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.75 2fhm h TYR 90 CO 0.54 0.49 0.00 0.43 -1.05 0.00 0.00 178.16 178.57