#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 2.03 0.02 -0.89 1.02 -0.80 -4.69 118.68 115.37 2fhm s LEU 2 Ca 0.00 -1.60 -0.11 0.00 0.02 0.00 0.00 54.13 52.44 2fhm s LEU 2 Cb 0.00 -0.19 0.01 0.00 0.02 0.00 0.00 46.19 46.03 2fhm s LEU 2 CO 0.00 -0.85 0.23 -1.58 0.02 0.00 0.00 176.35 174.17 2fhm s GLN 3 N -3.77 0.67 0.29 1.70 -0.44 -0.64 -1.46 119.66 116.01 2fhm s GLN 3 Ca 0.26 -0.47 0.06 0.00 -2.50 0.00 0.00 55.36 52.72 2fhm s GLN 3 Cb 0.04 0.28 -0.06 0.00 -1.64 0.00 0.00 33.01 31.64 2fhm s GLN 3 CO 0.14 -0.19 -0.05 1.52 0.50 0.00 0.00 175.29 177.21 2fhm s TYR 4 N -2.06 1.97 -0.03 1.67 -0.85 -0.03 -1.15 117.35 116.86 2fhm s TYR 4 Ca -0.09 -0.71 0.02 0.00 -0.52 0.00 0.00 57.07 55.76 2fhm s TYR 4 Cb -0.03 -1.14 0.01 0.00 0.38 0.00 0.00 41.96 41.18 2fhm s TYR 4 CO -0.01 0.27 -0.06 0.50 -1.52 0.00 0.00 175.55 174.73 2fhm s ARG 5 N -3.74 0.76 0.01 -3.49 3.52 -0.18 -2.57 118.95 113.26 2fhm s ARG 5 Ca 0.30 -0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.75 2fhm s ARG 5 Cb 0.04 -0.75 -0.01 0.00 -1.56 0.00 0.00 34.95 32.67 2fhm s ARG 5 CO 0.12 0.01 -0.07 0.42 -0.81 0.00 0.00 175.30 174.98 2fhm s ILE 6 N 0.51 0.50 -0.02 4.11 1.01 0.32 -0.41 121.20 127.22 2fhm s ILE 6 Ca -0.07 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.12 2fhm s ILE 6 Cb -0.10 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 41.92 2fhm s ILE 6 CO 0.00 0.01 -0.01 0.27 0.00 0.00 0.00 174.94 175.21 2fhm s ILE 7 N -0.45 0.22 -0.02 2.92 -0.00 -0.52 -0.80 121.20 122.55 2fhm s ILE 7 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.62 2fhm s ILE 7 Cb -0.04 -0.27 0.00 0.00 -0.00 0.00 0.00 42.46 42.15 2fhm s ILE 7 CO -0.00 0.12 0.05 0.68 -0.00 0.00 0.00 174.94 175.80 2fhm s VAL 8 N 0.64 0.02 0.05 8.37 -7.23 -0.15 -1.15 120.40 120.94 2fhm s VAL 8 Ca -0.06 -0.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.96 2fhm s VAL 8 Cb -0.10 -0.14 -0.03 0.00 0.56 0.00 0.00 36.38 36.68 2fhm s VAL 8 CO -0.01 -0.09 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.00 2fhm s ASP 9 N -0.25 0.79 0.00 4.85 2.15 -0.33 -1.02 116.67 122.86 2fhm s ASP 9 Ca -0.03 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.33 2fhm s ASP 9 Cb -0.02 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 2fhm s ASP 9 CO 0.00 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2fhm n GLY 10 N 1.22 0.52 3.58 2.66 0.00 -1.26 -0.44 105.19 111.46 2fhm n GLY 10 Ca -0.21 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 0.12 -4.63 118.95 121.02 2fhm s ARG 11 Ca 0.00 -1.52 0.15 0.00 -0.13 0.00 0.00 55.73 54.22 2fhm s ARG 11 Cb 0.00 -5.40 0.08 0.00 -1.56 0.00 0.00 34.95 28.06 2fhm s ARG 11 CO 0.00 -2.76 0.90 1.33 -0.81 0.00 0.00 175.30 173.96 2fhm n VAL 12 N 6.94 0.00 -4.17 7.11 0.24 -1.26 -1.49 118.33 125.69 2fhm n VAL 12 Ca 0.45 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 2fhm n VAL 12 Cb 0.47 1.26 -0.11 0.00 -1.47 0.00 0.00 33.84 33.99 2fhm n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2fhm s GLN 13 N -1.40 0.85 0.00 7.34 -1.52 -1.26 -4.78 119.66 118.88 2fhm s GLN 13 Ca 0.15 -1.21 0.00 0.00 -1.95 0.00 0.00 55.36 52.35 2fhm s GLN 13 Cb 0.12 -0.44 0.00 0.00 -0.22 0.00 0.00 33.01 32.47 2fhm s GLN 13 CO 0.24 0.05 0.00 0.41 -0.25 0.00 0.00 175.29 175.75 2fhm n GLY 14 N 0.37 -0.57 0.32 3.09 0.00 -1.26 -4.93 105.19 102.22 2fhm n GLY 14 Ca -0.15 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.88 -0.61 1.61 -1.51 -2.00 0.40 116.25 115.03 2fhm h VAL 15 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2fhm h VAL 15 Cb 0.00 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 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 -1.58 2.04 5.85 5.19 0.00 -1.26 -5.03 105.19 110.39 2fhm n GLY 16 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.23 0.00 0.21 1.61 3.01 0.13 -1.38 117.46 122.27 2fhm n PHE 17 Ca 0.21 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.70 2fhm n PHE 17 Cb 0.60 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.10 2fhm n PHE 17 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2fhm n ARG 18 N 9.87 0.33 0.24 -1.08 1.85 -1.26 -4.24 116.66 122.37 2fhm n ARG 18 Ca 0.00 -1.02 0.12 0.00 -1.00 0.00 0.00 57.85 55.95 2fhm n ARG 18 Cb 0.00 -1.13 0.59 0.00 -1.05 0.00 0.00 32.46 30.87 2fhm n ARG 18 CO 0.00 0.00 0.00 0.10 -0.01 0.00 0.00 177.63 177.72 2fhm h TYR 19 N 1.24 0.00 -0.39 2.89 -0.00 -1.80 -3.12 116.97 115.79 2fhm h TYR 19 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.81 2fhm h TYR 19 Cb 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 36.96 2fhm h TYR 19 CO 0.02 0.16 -0.21 0.35 -0.00 0.00 0.00 178.16 178.48 2fhm h PHE 20 N 0.00 -0.55 -0.09 0.10 3.57 -1.46 0.19 116.94 118.70 2fhm h PHE 20 Ca -0.00 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 2fhm h PHE 20 Cb 0.58 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2fhm h PHE 20 CO 0.00 -0.29 -0.39 -0.39 -2.23 0.00 0.00 178.31 175.00 2fhm h VAL 21 N -0.15 1.30 -0.07 1.41 -1.51 -1.84 -1.34 116.25 114.05 2fhm h VAL 21 Ca 0.19 -1.45 -0.07 0.00 -1.23 0.00 0.00 66.70 64.14 2fhm h VAL 21 Cb 0.44 1.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2fhm h VAL 21 CO -0.48 0.43 -0.29 1.56 -1.23 0.00 0.00 177.57 177.56 2fhm h GLN 22 N 0.16 0.12 -0.00 5.19 1.08 -1.26 0.68 115.11 121.07 2fhm h GLN 22 Ca 0.02 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2fhm h GLN 22 Cb 0.77 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2fhm h GLN 22 CO 0.06 0.41 0.00 0.52 -0.95 0.00 0.00 178.83 178.87 2fhm h MET 23 N 0.11 0.01 -0.16 1.46 2.86 0.26 -0.85 114.93 118.62 2fhm h MET 23 Ca 0.02 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 2fhm h MET 23 Cb 0.58 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2fhm h MET 23 CO 0.04 0.29 -0.32 0.93 1.06 0.00 0.00 176.91 178.91 2fhm h GLU 24 N -0.28 0.32 0.28 1.72 4.39 -1.03 0.63 114.58 120.60 2fhm h GLU 24 Ca 0.00 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2fhm h GLU 24 Cb 0.29 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2fhm h GLU 24 CO 0.00 0.61 -0.13 0.00 -1.16 0.00 0.00 179.01 178.33 2fhm h ALA 25 N 1.39 -0.37 -0.68 3.43 0.00 -0.85 -3.06 119.26 119.12 2fhm h ALA 25 Ca 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2fhm h ALA 25 Cb 0.71 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2fhm h ALA 25 CO 0.05 -0.64 0.12 0.22 0.00 0.00 0.00 179.25 179.00 2fhm h ASP 26 N -0.52 1.08 -0.53 0.00 3.58 -0.84 -0.30 116.42 118.89 2fhm h ASP 26 Ca -0.04 -0.26 0.15 0.00 0.42 0.00 0.00 57.03 57.31 2fhm h ASP 26 Cb 0.39 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2fhm h ASP 26 CO 0.06 1.06 0.44 0.50 -2.88 0.00 0.00 179.24 178.42 2fhm h LYS 27 N 1.05 0.00 -0.05 0.28 3.11 -0.91 -1.15 116.57 118.90 2fhm h LYS 27 Ca 0.21 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.04 2fhm h LYS 27 Cb 0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 2fhm h LYS 27 CO 0.01 0.00 -0.12 -2.13 -2.81 0.00 0.00 179.45 174.41 2fhm n ARG 28 N -4.07 1.57 -3.45 1.90 0.63 -0.75 -5.00 116.66 107.49 2fhm n ARG 28 Ca 0.10 -2.81 -0.25 0.00 -0.92 0.00 0.00 57.85 53.97 2fhm n ARG 28 Cb 0.66 -1.58 -0.00 0.00 0.45 0.00 0.00 32.46 31.98 2fhm n ARG 28 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2fhm n LYS 29 N -1.25 -3.63 -1.47 -0.14 4.81 -0.43 -4.86 118.16 111.19 2fhm n LYS 29 Ca 0.18 0.50 -0.30 0.00 -0.87 0.00 0.00 58.31 57.82 2fhm n LYS 29 Cb 0.70 -5.24 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 1.17 0.00 0.00 177.40 178.06 2fhm s LEU 30 N -6.62 2.67 -0.03 3.14 1.43 -0.21 -4.86 118.68 114.19 2fhm s LEU 30 Ca 0.44 1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 2fhm s LEU 30 Cb -0.23 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 41.95 2fhm s LEU 30 CO 0.54 -2.00 0.03 0.00 0.23 0.00 0.00 176.35 175.16 2fhm s ALA 31 N -3.08 0.22 0.00 4.21 0.00 -0.83 -4.53 121.76 117.75 2fhm s ALA 31 Ca 0.61 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2fhm s ALA 31 Cb -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2fhm s ALA 31 CO 0.55 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.48 2fhm n GLY 32 N 4.59 -0.68 3.26 0.00 0.00 -0.52 -0.69 105.19 111.15 2fhm n GLY 32 Ca -0.18 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 1.29 0.02 1.61 -2.14 0.44 -1.06 118.94 116.09 2fhm s TRP 33 Ca 0.00 -1.08 0.04 0.00 2.66 0.00 0.00 56.10 57.72 2fhm s TRP 33 Cb 0.00 -0.73 -0.02 0.00 -3.10 0.00 0.00 33.47 29.62 2fhm s TRP 33 CO 0.00 -0.27 -0.12 0.54 -2.66 0.00 0.00 176.95 174.45 2fhm s VAL 34 N -3.71 0.90 0.11 -0.66 0.11 -0.32 -1.52 120.40 115.32 2fhm s VAL 34 Ca 0.28 -0.78 -0.09 0.00 -2.93 0.00 0.00 61.98 58.47 2fhm s VAL 34 Cb 0.07 -0.81 -0.00 0.00 -1.53 0.00 0.00 36.38 34.10 2fhm s VAL 34 CO 0.07 0.04 0.22 -1.59 -3.33 0.00 0.00 175.10 170.50 2fhm s LYS 35 N -0.83 0.94 0.44 1.54 -2.85 -0.29 -1.30 119.74 117.39 2fhm s LYS 35 Ca 0.01 -1.04 -0.22 0.00 -1.00 0.00 0.00 55.97 53.72 2fhm s LYS 35 Cb -0.06 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 35.97 2fhm s LYS 35 CO 0.01 -0.32 1.03 1.21 0.10 0.00 0.00 175.35 177.38 2fhm s ASN 36 N -2.90 6.62 -0.01 0.03 3.84 -1.26 -0.70 114.94 120.56 2fhm s ASN 36 Ca 0.09 1.95 0.06 0.00 0.21 0.00 0.00 52.86 55.17 2fhm s ASN 36 Cb 0.04 -2.57 -0.01 0.00 -0.55 0.00 0.00 41.25 38.16 2fhm s ASN 36 CO -0.07 -0.59 -0.18 -0.60 -2.79 0.00 0.00 177.10 172.87 2fhm s ARG 37 N -2.87 1.46 0.60 0.43 3.52 0.52 -4.83 118.95 117.78 2fhm s ARG 37 Ca 0.62 -0.66 0.31 0.00 -0.13 0.00 0.00 55.73 55.87 2fhm s ARG 37 Cb -0.18 -1.42 1.84 0.00 -1.56 0.00 0.00 34.95 33.63 2fhm s ARG 37 CO 0.23 0.39 2.23 0.22 -0.81 0.00 0.00 175.30 177.55 2fhm h ASP 38 N 5.64 0.00 0.08 -2.12 3.58 -1.98 -0.72 116.42 120.90 2fhm h ASP 38 Ca -0.37 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 2fhm h ASP 38 Cb 1.15 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 2fhm h ASP 38 CO 0.48 0.00 -0.02 -0.78 -2.88 0.00 0.00 179.24 176.04 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.03 -3.45 116.42 116.80 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 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2fhm h ASP 39 CO -0.00 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2fhm n GLY 40 N -1.10 1.28 3.27 -0.78 0.00 -0.30 -5.14 105.19 102.42 2fhm n GLY 40 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2fhm n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fhm s ARG 41 N -0.10 1.02 0.30 1.61 1.70 -1.08 -4.91 118.95 117.49 2fhm s ARG 41 Ca 0.00 -1.17 -0.13 0.00 -0.47 0.00 0.00 55.73 53.95 2fhm s ARG 41 Cb 0.00 0.34 -0.08 0.00 -0.57 0.00 0.00 34.95 34.64 2fhm s ARG 41 CO 0.00 -0.35 0.68 0.08 -1.08 0.00 0.00 175.30 174.64 2fhm s VAL 42 N -3.96 4.76 0.02 4.99 1.01 -0.19 -0.36 120.40 126.68 2fhm s VAL 42 Ca 0.15 0.79 0.07 0.00 0.00 0.00 0.00 61.98 62.99 2fhm s VAL 42 Cb 0.05 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2fhm s VAL 42 CO -0.03 -0.17 -0.20 -0.70 0.00 0.00 0.00 175.10 174.01 2fhm s GLU 43 N -2.98 1.42 -0.00 2.72 2.12 0.12 -0.98 118.70 121.11 2fhm s GLU 43 Ca 0.52 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 55.03 2fhm s GLU 43 Cb -0.10 -1.46 -0.00 0.00 0.26 0.00 0.00 34.13 32.82 2fhm s GLU 43 CO 0.19 0.38 -0.03 0.42 -0.54 0.00 0.00 175.26 175.68 2fhm s ILE 44 N -0.68 0.24 -0.16 -3.70 1.01 0.02 -1.13 121.20 116.81 2fhm s ILE 44 Ca 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 2fhm s ILE 44 Cb -0.08 -0.22 0.06 0.00 0.01 0.00 0.00 42.46 42.23 2fhm s ILE 44 CO 0.01 0.07 0.36 -0.22 0.00 0.00 0.00 174.94 175.16 2fhm s LEU 45 N -0.00 -0.14 0.17 2.97 0.20 -0.58 -0.53 118.68 120.78 2fhm s LEU 45 Ca 0.00 0.80 -0.19 0.00 0.69 0.00 0.00 54.13 55.43 2fhm s LEU 45 Cb -0.02 1.14 0.05 0.00 -0.43 0.00 0.00 46.19 46.92 2fhm s LEU 45 CO -0.00 -0.20 0.53 0.00 -0.29 0.00 0.00 176.35 176.39 2fhm s ALA 46 N 1.76 -1.21 0.17 5.97 0.00 -1.06 -0.42 121.76 126.96 2fhm s ALA 46 Ca -0.06 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.06 2fhm s ALA 46 Cb -0.10 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2fhm s ALA 46 CO -0.11 -0.76 0.02 -1.83 0.00 0.00 0.00 175.76 173.07 2fhm s GLU 47 N -3.81 2.48 0.00 0.00 -1.05 0.14 -0.85 118.70 115.60 2fhm s GLU 47 Ca 0.04 -1.05 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 2fhm s GLU 47 Cb -0.01 -2.41 0.00 0.00 -0.44 0.00 0.00 34.13 31.27 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 -0.09 -0.41 3.79 -3.83 0.00 -0.54 -1.96 105.19 102.16 2fhm n GLY 48 Ca -0.10 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 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 2.82 0.12 1.61 0.04 -1.26 -1.91 135.00 134.41 2fhm s PRO 49 Ca 0.00 1.17 -0.25 0.00 0.04 0.00 0.00 61.00 61.96 2fhm s PRO 49 Cb 0.00 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2fhm s PRO 49 CO 0.00 -1.21 1.65 1.49 0.04 0.00 0.00 177.00 178.98 2fhm h GLU 50 N -0.38 -0.33 -0.76 4.56 4.81 -1.97 -1.28 114.58 119.24 2fhm h GLU 50 Ca -0.45 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2fhm h GLU 50 Cb 1.23 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 2fhm h GLU 50 CO 0.55 -0.22 0.50 -0.97 -0.73 0.00 0.00 179.01 178.14 2fhm h ASN 51 N -0.35 0.87 -0.12 1.04 -1.24 -1.99 0.04 115.58 113.83 2fhm h ASN 51 Ca 0.05 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 2fhm h ASN 51 Cb 0.41 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 2fhm h ASN 51 CO -0.17 0.63 0.04 0.00 -1.29 0.00 0.00 177.43 176.63 2fhm h ALA 52 N 1.53 0.16 -0.25 1.57 0.00 -1.70 -1.25 119.26 119.32 2fhm h ALA 52 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2fhm h ALA 52 Cb -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2fhm h ALA 52 CO -0.06 -0.22 0.12 -0.07 0.00 0.00 0.00 179.25 179.02 2fhm h LEU 53 N 0.01 0.32 -0.37 0.00 3.38 -0.55 -1.04 115.31 117.06 2fhm h LEU 53 Ca 0.04 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2fhm h LEU 53 Cb 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2fhm h LEU 53 CO -0.00 0.35 -0.20 1.56 0.09 0.00 0.00 178.44 180.24 2fhm h GLN 54 N 0.27 0.79 -0.62 1.13 1.08 -1.01 -0.82 115.11 115.94 2fhm h GLN 54 Ca 0.09 -0.35 -0.05 0.00 -1.45 0.00 0.00 58.65 56.89 2fhm h GLN 54 Cb 0.11 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 2fhm h GLN 54 CO -0.01 0.98 0.20 0.77 -0.95 0.00 0.00 178.83 179.82 2fhm h SER 55 N 0.58 0.86 -0.41 1.46 0.02 -1.17 -1.44 113.55 113.45 2fhm h SER 55 Ca 0.08 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2fhm h SER 55 Cb 0.75 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2fhm h SER 55 CO 0.06 0.80 0.22 0.15 -1.14 0.00 0.00 176.83 176.92 2fhm h PHE 56 N 0.90 0.56 -0.58 3.45 3.04 -0.89 -0.67 116.94 122.75 2fhm h PHE 56 Ca 0.20 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.21 2fhm h PHE 56 Cb 0.25 -0.18 -0.06 0.00 2.56 0.00 0.00 35.95 38.52 2fhm h PHE 56 CO 0.02 0.43 0.25 0.28 -2.02 0.00 0.00 178.31 177.26 2fhm h VAL 57 N 0.52 0.85 -0.91 1.41 2.07 -0.54 -0.55 116.25 119.11 2fhm h VAL 57 Ca 0.14 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2fhm h VAL 57 Cb 0.06 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 2fhm h VAL 57 CO -0.02 0.08 0.60 -0.33 0.02 0.00 0.00 177.57 177.92 2fhm h GLU 58 N 0.46 1.16 -0.48 1.57 4.39 -0.96 -1.37 114.58 119.34 2fhm h GLU 58 Ca 0.28 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 2fhm h GLU 58 Cb 0.28 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2fhm h GLU 58 CO -0.25 0.77 0.17 0.00 -1.16 0.00 0.00 179.01 178.54 2fhm h ALA 59 N 1.35 0.63 0.01 3.43 0.00 0.26 0.19 119.26 125.13 2fhm h ALA 59 Ca 0.35 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2fhm h ALA 59 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2fhm h ALA 59 CO -0.09 0.26 -0.00 0.28 0.00 0.00 0.00 179.25 179.70 2fhm h VAL 60 N 0.64 1.17 -0.85 0.00 2.07 -0.91 -1.62 116.25 116.75 2fhm h VAL 60 Ca 0.16 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.18 2fhm h VAL 60 Cb 0.24 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 2fhm h VAL 60 CO -0.01 0.14 0.55 0.50 0.02 0.00 0.00 177.57 178.77 2fhm h LYS 61 N -0.24 1.04 0.00 1.57 3.64 -1.08 0.02 116.57 121.53 2fhm h LYS 61 Ca -0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2fhm h LYS 61 Cb 0.23 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2fhm h LYS 61 CO 0.00 0.69 -0.12 -0.97 -2.27 0.00 0.00 179.45 176.78 2fhm h ASN 62 N 1.08 0.00 -6.23 4.20 -1.24 -0.93 -3.36 115.58 109.10 2fhm h ASN 62 Ca 0.34 0.00 -0.48 0.00 0.71 0.00 0.00 56.30 56.87 2fhm h ASN 62 Cb -0.00 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 38.96 2fhm h ASN 62 CO -0.11 0.12 -0.74 0.61 -1.29 0.00 0.00 177.43 176.02 2fhm n GLY 63 N 0.15 -0.48 0.34 1.57 0.00 -0.01 -4.77 105.19 101.99 2fhm n GLY 63 Ca 0.01 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.73 -0.88 0.72 1.61 0.02 -1.80 -1.57 113.55 109.91 2fhm h SER 64 Ca -0.56 0.28 -0.19 0.00 -0.84 0.00 0.00 61.79 60.48 2fhm h SER 64 Cb 1.36 0.59 -0.02 0.00 0.14 0.00 0.00 62.40 64.47 2fhm h SER 64 CO 0.68 -0.31 -0.89 1.55 -1.14 0.00 0.00 176.83 176.72 2fhm h PRO 65 N -0.00 0.10 0.00 3.45 0.13 -1.92 -3.45 132.00 130.31 2fhm h PRO 65 Ca 0.45 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 2fhm h PRO 65 Cb 0.69 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2fhm h PRO 65 CO -0.97 0.92 0.00 1.97 -0.23 0.00 0.00 178.00 179.69 2fhm n PHE 66 N -3.58 0.00 -1.39 1.56 -1.74 -0.84 -5.11 117.46 106.36 2fhm n PHE 66 Ca -0.02 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.58 2fhm n PHE 66 Cb 0.82 0.00 0.16 0.00 1.52 0.00 0.00 39.48 41.98 2fhm n PHE 66 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2fhm s SER 67 N -0.83 2.96 -0.14 5.98 1.04 -0.65 -5.05 113.70 117.02 2fhm s SER 67 Ca 0.00 0.98 -0.24 0.00 0.48 0.00 0.00 55.95 57.17 2fhm s SER 67 Cb 0.00 -1.54 0.06 0.00 0.10 0.00 0.00 66.02 64.64 2fhm s SER 67 CO 0.00 -2.90 0.60 -1.59 0.98 0.00 0.00 173.24 170.33 2fhm s LYS 68 N -5.21 0.84 0.42 4.02 0.00 -0.55 -4.28 119.74 114.98 2fhm s LYS 68 Ca 0.65 0.49 -0.14 0.00 0.00 0.00 0.00 55.97 56.98 2fhm s LYS 68 Cb -0.15 0.40 -0.08 0.00 0.00 0.00 0.00 37.83 38.00 2fhm s LYS 68 CO 0.55 -0.19 0.84 0.14 0.00 0.00 0.00 175.35 176.69 2fhm s VAL 69 N -0.46 4.66 -0.05 1.79 -7.23 -1.26 -0.70 120.40 117.15 2fhm s VAL 69 Ca -0.06 0.93 0.02 0.00 -1.81 0.00 0.00 61.98 61.05 2fhm s VAL 69 Cb -0.03 -3.69 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 2fhm s VAL 69 CO 0.05 -0.48 0.06 0.35 -0.31 0.00 0.00 175.10 174.78 2fhm n THR 70 N -1.11 0.00 -3.76 5.32 -2.24 0.41 -4.89 114.28 108.01 2fhm n THR 70 Ca 0.04 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 2fhm n THR 70 Cb 0.54 0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.61 -0.33 -0.07 3.42 2.15 -0.74 -4.99 116.67 114.50 2fhm s ASP 71 Ca 0.00 0.64 -0.05 0.00 0.43 0.00 0.00 52.55 53.57 2fhm s ASP 71 Cb 0.01 0.62 0.03 0.00 -0.30 0.00 0.00 42.92 43.28 2fhm s ASP 71 CO 0.08 -0.12 0.17 -0.51 -0.17 0.00 0.00 175.17 174.62 2fhm s ILE 72 N 0.41 -0.02 0.01 4.11 2.07 -1.26 -1.19 121.20 125.34 2fhm s ILE 72 Ca -0.02 0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.31 2fhm s ILE 72 Cb -0.04 -0.26 -0.01 0.00 0.13 0.00 0.00 42.46 42.28 2fhm s ILE 72 CO -0.02 0.02 -0.09 -0.44 -1.91 0.00 0.00 174.94 172.51 2fhm s SER 73 N 0.48 1.02 0.00 4.50 0.01 -0.30 -5.02 113.70 114.39 2fhm s SER 73 Ca -0.03 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 56.98 2fhm s SER 73 Cb -0.05 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 2fhm s SER 73 CO -0.02 0.03 -0.05 -0.69 0.41 0.00 0.00 173.24 172.92 2fhm s VAL 74 N -0.50 0.34 0.04 3.43 1.01 -1.26 -1.44 120.40 122.03 2fhm s VAL 74 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.73 2fhm s VAL 74 Cb -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 2fhm s VAL 74 CO 0.00 0.02 -0.14 -0.89 0.00 0.00 0.00 175.10 174.09 2fhm s THR 75 N -0.29 1.10 0.03 3.92 2.01 0.45 -5.01 115.64 117.85 2fhm s THR 75 Ca -0.00 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 2fhm s THR 75 Cb -0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 2fhm s THR 75 CO -0.00 -0.02 -0.01 -1.83 -0.69 0.00 0.00 174.62 172.06 2fhm s GLU 76 N -1.20 0.47 0.32 4.92 -1.05 -1.26 -1.01 118.70 119.89 2fhm s GLU 76 Ca 0.01 -0.88 -0.04 0.00 -0.15 0.00 0.00 54.97 53.92 2fhm s GLU 76 Cb -0.08 0.17 -0.00 0.00 -0.44 0.00 0.00 34.13 33.78 2fhm s GLU 76 CO 0.01 -0.09 0.45 -1.12 0.95 0.00 0.00 175.26 175.46 2fhm s SER 77 N -2.14 0.74 0.00 0.83 0.01 -0.30 -4.99 113.70 107.84 2fhm s SER 77 Ca -0.05 -1.41 0.01 0.00 1.31 0.00 0.00 55.95 55.81 2fhm s SER 77 Cb -0.01 0.63 -0.00 0.00 0.21 0.00 0.00 66.02 66.84 2fhm s SER 77 CO -0.05 -1.24 0.16 0.54 0.41 0.00 0.00 173.24 173.06 2fhm n ARG 78 N -0.52 4.62 -2.06 12.44 3.00 -1.26 -1.61 116.66 131.26 2fhm n ARG 78 Ca 0.01 -0.15 -0.39 0.00 -0.01 0.00 0.00 57.85 57.31 2fhm n ARG 78 Cb 0.62 -0.66 -0.03 0.00 0.00 0.00 0.00 32.46 32.38 2fhm n ARG 78 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2fhm s SER 79 N -0.77 5.34 0.79 0.55 0.01 -1.26 -4.66 113.70 113.70 2fhm s SER 79 Ca 0.00 0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.47 2fhm s SER 79 Cb 0.00 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.75 2fhm s SER 79 CO 0.02 -2.32 0.99 0.18 0.41 0.00 0.00 173.24 172.52 2fhm n LEU 80 N 12.47 3.36 0.12 2.44 4.32 -1.26 -4.68 117.00 133.76 2fhm n LEU 80 Ca 0.20 0.59 -0.01 0.00 -0.02 0.00 0.00 56.01 56.76 2fhm n LEU 80 Cb 0.52 -1.42 0.04 0.00 -1.62 0.00 0.00 43.42 40.94 2fhm n LEU 80 CO 0.71 -2.12 0.39 -0.33 -1.22 0.00 0.00 177.39 174.82 2fhm h GLU 81 N -0.72 0.00 -0.78 3.23 4.39 -1.94 -3.48 114.58 115.28 2fhm h GLU 81 Ca -0.46 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.14 2fhm h GLU 81 Cb 1.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2fhm h GLU 81 CO 0.45 0.68 -0.13 0.41 -1.16 0.00 0.00 179.01 179.26 2fhm n GLY 82 N 0.97 0.20 3.74 -3.84 0.00 -1.26 -5.05 105.19 99.94 2fhm n GLY 82 Ca 0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.29 2.24 -0.00 1.61 2.46 -1.26 -4.98 115.29 113.06 2fhm s HIS 83 Ca 0.01 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.14 2fhm s HIS 83 Cb -0.00 -3.34 0.00 0.00 -0.13 0.00 0.00 32.58 29.11 2fhm s HIS 83 CO 0.01 -2.27 0.74 -2.39 -2.47 0.00 0.00 174.74 168.36 2fhm n HIS 84 N -2.76 0.00 -4.05 3.88 1.44 -1.26 -4.99 115.22 107.48 2fhm n HIS 84 Ca 0.12 -0.02 -0.11 0.00 -2.01 0.00 0.00 57.72 55.70 2fhm n HIS 84 Cb 0.51 -0.03 -0.05 0.00 0.12 0.00 0.00 29.99 30.54 2fhm n HIS 84 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2fhm s ARG 85 N -0.06 1.61 -0.09 -1.40 0.52 -1.26 -5.09 118.95 113.19 2fhm s ARG 85 Ca 0.00 -1.45 -0.01 0.00 -0.52 0.00 0.00 55.73 53.76 2fhm s ARG 85 Cb 0.00 0.44 0.03 0.00 0.52 0.00 0.00 34.95 35.94 2fhm s ARG 85 CO 0.00 -0.66 -0.03 -0.59 0.02 0.00 0.00 175.30 174.05 2fhm s PHE 86 N -3.73 0.96 0.07 -0.53 -0.71 -1.26 -1.43 117.98 111.34 2fhm s PHE 86 Ca 0.27 -0.37 0.01 0.00 -1.04 0.00 0.00 56.93 55.80 2fhm s PHE 86 Cb 0.00 -0.95 -0.04 0.00 -1.21 0.00 0.00 43.02 40.82 2fhm s PHE 86 CO 0.12 -0.39 -0.06 -1.12 -1.34 0.00 0.00 175.22 172.43 2fhm s SER 87 N 1.88 0.88 -0.10 1.98 0.01 -0.23 -4.95 113.70 113.18 2fhm s SER 87 Ca 0.05 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.47 2fhm s SER 87 Cb -0.12 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.22 2fhm s SER 87 CO -0.06 -0.41 -0.12 -0.63 0.41 0.00 0.00 173.24 172.42 2fhm s ILE 88 N -2.96 1.26 0.20 1.44 1.01 -1.26 -1.17 121.20 119.72 2fhm s ILE 88 Ca 0.03 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 59.93 2fhm s ILE 88 Cb 0.01 -1.19 -0.08 0.00 0.01 0.00 0.00 42.46 41.21 2fhm s ILE 88 CO -0.04 0.40 0.83 -0.69 0.00 0.00 0.00 174.94 175.43 2fhm s VAL 89 N 1.13 4.29 0.00 2.92 1.01 -0.42 -4.95 120.40 124.39 2fhm s VAL 89 Ca -0.05 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.71 2fhm s VAL 89 Cb -0.14 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2fhm s VAL 89 CO -0.03 0.46 0.50 -1.22 0.00 0.00 0.00 175.10 174.81 2fhm n TYR 90 N 1.41 0.00 0.00 5.22 4.01 -1.26 -4.77 117.16 121.77 2fhm n TYR 90 Ca -0.04 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2fhm n TYR 90 Cb 0.49 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83