#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 1.64 0.07 -0.89 2.96 -0.78 -4.81 118.68 116.87 2fhm s LEU 2 Ca 0.00 -1.73 -0.20 0.00 -0.22 0.00 0.00 54.13 51.98 2fhm s LEU 2 Cb 0.00 0.77 0.05 0.00 0.50 0.00 0.00 46.19 47.51 2fhm s LEU 2 CO 0.00 -1.13 0.48 -1.58 -1.32 0.00 0.00 176.35 172.79 2fhm s GLN 3 N -3.29 1.04 0.32 1.98 0.74 -0.14 -0.90 119.66 119.40 2fhm s GLN 3 Ca 0.39 -0.38 0.10 0.00 0.05 0.00 0.00 55.36 55.52 2fhm s GLN 3 Cb 0.01 0.47 -0.06 0.00 1.10 0.00 0.00 33.01 34.53 2fhm s GLN 3 CO 0.27 -0.39 -0.13 1.52 -0.55 0.00 0.00 175.29 176.02 2fhm s TYR 4 N -2.85 2.32 -0.02 1.67 -0.85 -0.05 -0.79 117.35 116.79 2fhm s TYR 4 Ca -0.03 -0.46 0.03 0.00 -0.52 0.00 0.00 57.07 56.09 2fhm s TYR 4 Cb -0.00 -1.22 0.00 0.00 0.38 0.00 0.00 41.96 41.11 2fhm s TYR 4 CO -0.05 0.61 -0.09 0.50 -1.52 0.00 0.00 175.55 174.99 2fhm s ARG 5 N -3.58 0.91 0.01 -3.49 3.52 -0.18 -2.44 118.95 113.69 2fhm s ARG 5 Ca 0.31 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 2fhm s ARG 5 Cb 0.00 -0.86 -0.01 0.00 -1.56 0.00 0.00 34.95 32.52 2fhm s ARG 5 CO 0.15 0.14 -0.05 0.42 -0.81 0.00 0.00 175.30 175.16 2fhm s ILE 6 N 0.07 0.37 -0.03 4.11 1.01 0.34 -0.30 121.20 126.77 2fhm s ILE 6 Ca -0.01 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2fhm s ILE 6 Cb -0.07 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2fhm s ILE 6 CO 0.00 -0.05 -0.10 -0.63 0.00 0.00 0.00 174.94 174.16 2fhm s ILE 7 N -0.48 0.89 0.03 2.92 -1.09 -0.52 -0.92 121.20 122.02 2fhm s ILE 7 Ca -0.02 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 2fhm s ILE 7 Cb -0.04 -0.79 -0.02 0.00 -1.58 0.00 0.00 42.46 40.03 2fhm s ILE 7 CO -0.00 0.27 -0.04 0.68 -1.23 0.00 0.00 174.94 174.63 2fhm s VAL 8 N 0.21 0.18 0.03 2.92 -7.23 -0.14 -1.08 120.40 115.30 2fhm s VAL 8 Ca -0.04 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2fhm s VAL 8 Cb -0.09 -0.54 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 2fhm s VAL 8 CO 0.01 -0.58 0.07 -0.62 -0.31 0.00 0.00 175.10 173.66 2fhm s ASP 9 N -1.76 0.19 0.00 4.85 2.15 -0.37 -0.67 116.67 121.06 2fhm s ASP 9 Ca -0.11 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.37 2fhm s ASP 9 Cb -0.07 0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2fhm s ASP 9 CO -0.03 -0.45 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 2fhm n GLY 10 N 1.02 0.25 3.56 2.66 0.00 -1.26 -0.47 105.19 110.95 2fhm n GLY 10 Ca -0.20 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 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 3.12 0.00 1.61 6.06 -0.07 -4.60 118.95 123.06 2fhm s ARG 11 Ca 0.00 -0.84 0.00 0.00 -2.50 0.00 0.00 55.73 52.39 2fhm s ARG 11 Cb 0.00 -5.24 0.00 0.00 0.06 0.00 0.00 34.95 29.77 2fhm s ARG 11 CO 0.00 -2.81 0.71 1.33 -2.50 0.00 0.00 175.30 172.03 2fhm n VAL 12 N 7.32 0.50 -3.99 7.11 0.24 -1.26 -1.14 118.33 127.11 2fhm n VAL 12 Ca 0.38 -0.64 -0.10 0.00 -2.04 0.00 0.00 64.34 61.94 2fhm n VAL 12 Cb 0.49 0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.50 1.16 0.00 7.34 -1.52 -1.26 -4.42 119.66 120.45 2fhm s GLN 13 Ca 0.00 -1.23 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 2fhm s GLN 13 Cb 0.00 0.36 0.00 0.00 -0.22 0.00 0.00 33.01 33.15 2fhm s GLN 13 CO 0.00 -0.42 0.00 0.41 -0.25 0.00 0.00 175.29 175.03 2fhm n GLY 14 N -0.21 0.99 0.22 3.09 0.00 -1.26 -4.82 105.19 103.20 2fhm n GLY 14 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.97 2fhm n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2fhm n VAL 15 N -2.00 0.43 -0.95 1.61 0.24 -1.26 -5.01 118.33 111.38 2fhm n VAL 15 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 2fhm n VAL 15 Cb 0.00 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 2fhm n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fhm n GLY 16 N -0.29 0.43 0.28 7.63 0.00 -1.26 -4.93 105.19 107.05 2fhm n GLY 16 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 0.63 -0.06 1.61 3.57 -1.91 -0.18 116.94 120.60 2fhm h PHE 17 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2fhm h PHE 17 Cb 0.00 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2fhm h PHE 17 CO 0.00 0.16 -0.28 0.07 -2.23 0.00 0.00 178.31 176.03 2fhm h ARG 18 N 0.55 0.10 -0.22 1.11 0.11 -1.93 -0.56 114.38 113.53 2fhm h ARG 18 Ca 0.40 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 60.33 2fhm h ARG 18 Cb 0.54 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 2fhm h ARG 18 CO -0.34 0.38 -0.32 -0.92 0.10 0.00 0.00 179.97 178.87 2fhm h TYR 19 N 0.09 0.75 -0.42 4.08 3.20 -1.68 -2.96 116.97 120.03 2fhm h TYR 19 Ca 0.01 -0.25 0.07 0.00 3.14 0.00 0.00 58.73 61.71 2fhm h TYR 19 Cb 0.55 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 2fhm h TYR 19 CO 0.00 0.98 0.04 0.35 -1.64 0.00 0.00 178.16 177.90 2fhm h PHE 20 N 0.30 0.05 -0.27 -3.82 3.57 -0.18 -0.15 116.94 116.44 2fhm h PHE 20 Ca 0.02 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2fhm h PHE 20 Cb 0.90 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2fhm h PHE 20 CO 0.08 -0.04 -0.11 -0.39 -2.23 0.00 0.00 178.31 175.62 2fhm h VAL 21 N 0.16 1.22 -0.14 1.41 -1.51 -1.19 -0.86 116.25 115.34 2fhm h VAL 21 Ca 0.21 -0.95 -0.07 0.00 -1.23 0.00 0.00 66.70 64.66 2fhm h VAL 21 Cb 0.28 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 2fhm h VAL 21 CO -0.31 0.31 -0.21 1.56 -1.23 0.00 0.00 177.57 177.69 2fhm h GLN 22 N 0.42 0.24 -0.26 5.19 1.08 -1.05 0.16 115.11 120.90 2fhm h GLN 22 Ca 0.08 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2fhm h GLN 22 Cb 0.45 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2fhm h GLN 22 CO 0.03 0.44 0.08 0.52 -0.95 0.00 0.00 178.83 178.95 2fhm h MET 23 N 0.22 0.40 -0.15 1.46 2.86 0.10 -1.50 114.93 118.32 2fhm h MET 23 Ca 0.04 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 2fhm h MET 23 Cb 0.50 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2fhm h MET 23 CO 0.03 0.47 -0.37 0.93 1.06 0.00 0.00 176.91 179.04 2fhm h GLU 24 N 0.26 0.33 -0.05 1.72 4.39 -0.70 -0.47 114.58 120.05 2fhm h GLU 24 Ca 0.08 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2fhm h GLU 24 Cb 0.24 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2fhm h GLU 24 CO -0.00 0.66 0.03 0.00 -1.16 0.00 0.00 179.01 178.54 2fhm h ALA 25 N 1.33 0.07 -0.42 3.43 0.00 -0.61 -2.83 119.26 120.23 2fhm h ALA 25 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2fhm h ALA 25 Cb 0.79 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2fhm h ALA 25 CO 0.06 -0.43 0.12 0.22 0.00 0.00 0.00 179.25 179.22 2fhm h ASP 26 N 0.06 0.56 -0.95 0.00 3.58 -0.81 0.06 116.42 118.92 2fhm h ASP 26 Ca 0.02 -0.07 0.18 0.00 0.42 0.00 0.00 57.03 57.58 2fhm h ASP 26 Cb 0.00 -0.14 -0.10 0.00 1.72 0.00 0.00 39.33 40.80 2fhm h ASP 26 CO -0.00 0.55 0.55 0.07 -2.88 0.00 0.00 179.24 177.52 2fhm h LYS 27 N 0.60 0.68 -0.19 0.28 2.10 -0.83 -0.95 116.57 118.26 2fhm h LYS 27 Ca 0.14 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.70 2fhm h LYS 27 Cb 0.20 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 31.34 2fhm h LYS 27 CO -0.01 0.45 -0.08 0.54 -2.00 0.00 0.00 179.45 178.35 2fhm n ARG 28 N -4.82 2.04 -4.25 0.07 1.74 -1.11 -4.99 116.66 105.34 2fhm n ARG 28 Ca 0.22 -2.93 -0.37 0.00 -0.77 0.00 0.00 57.85 53.99 2fhm n ARG 28 Cb 0.54 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.00 -2.96 -1.14 5.56 5.02 -0.36 -4.93 118.16 118.36 2fhm n LYS 29 Ca 0.23 0.35 -0.32 0.00 -2.02 0.00 0.00 58.31 56.55 2fhm n LYS 29 Cb 0.85 -5.08 0.12 0.00 -0.02 0.00 0.00 35.03 30.90 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 -7.26 3.09 -0.10 -0.35 1.43 -0.08 -4.98 118.68 110.42 2fhm s LEU 30 Ca 0.76 2.18 0.02 0.00 -1.03 0.00 0.00 54.13 56.06 2fhm s LEU 30 Cb -0.42 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.25 2fhm s LEU 30 CO 0.93 -2.52 -0.16 0.00 0.23 0.00 0.00 176.35 174.84 2fhm s ALA 31 N -2.42 1.69 0.00 4.21 0.00 -1.04 -4.61 121.76 119.60 2fhm s ALA 31 Ca 0.69 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2fhm s ALA 31 Cb -0.24 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2fhm s ALA 31 CO 0.52 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.65 2fhm n GLY 32 N 4.11 -1.27 3.23 0.00 0.00 -0.24 -0.50 105.19 110.52 2fhm n GLY 32 Ca -0.19 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.81 0.72 0.04 1.61 -2.14 0.32 -1.16 118.94 115.52 2fhm s TRP 33 Ca 0.00 -1.07 0.04 0.00 2.66 0.00 0.00 56.10 57.73 2fhm s TRP 33 Cb 0.00 -0.32 -0.02 0.00 -3.10 0.00 0.00 33.47 30.02 2fhm s TRP 33 CO 0.00 -0.61 -0.13 0.54 -2.66 0.00 0.00 176.95 174.09 2fhm s VAL 34 N -4.03 0.98 0.09 -0.66 0.11 -0.46 -1.50 120.40 114.94 2fhm s VAL 34 Ca 0.23 -1.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.16 2fhm s VAL 34 Cb 0.06 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2fhm s VAL 34 CO 0.02 -0.08 0.27 -1.59 -3.33 0.00 0.00 175.10 170.40 2fhm s LYS 35 N -1.22 0.91 0.50 1.54 -2.85 -0.40 -1.34 119.74 116.87 2fhm s LYS 35 Ca -0.01 -0.81 -0.17 0.00 -1.00 0.00 0.00 55.97 53.99 2fhm s LYS 35 Cb -0.08 0.38 -0.08 0.00 -2.06 0.00 0.00 37.83 35.99 2fhm s LYS 35 CO 0.01 -0.31 0.97 1.21 0.10 0.00 0.00 175.35 177.33 2fhm s ASN 36 N -2.71 6.65 0.03 0.03 3.84 -1.26 -0.89 114.94 120.63 2fhm s ASN 36 Ca 0.03 1.56 0.05 0.00 0.21 0.00 0.00 52.86 54.70 2fhm s ASN 36 Cb 0.03 -2.50 -0.03 0.00 -0.55 0.00 0.00 41.25 38.19 2fhm s ASN 36 CO -0.10 -0.55 -0.10 -0.13 -2.79 0.00 0.00 177.10 173.43 2fhm s ARG 37 N -3.95 2.39 0.55 0.43 0.52 0.14 -4.83 118.95 114.20 2fhm s ARG 37 Ca 0.59 -0.82 0.22 0.00 -0.52 0.00 0.00 55.73 55.20 2fhm s ARG 37 Cb -0.10 -2.41 1.46 0.00 0.52 0.00 0.00 34.95 34.43 2fhm s ARG 37 CO 0.29 0.57 2.14 0.22 0.02 0.00 0.00 175.30 178.54 2fhm h ASP 38 N 4.39 0.00 0.08 0.23 3.58 -1.99 -0.57 116.42 122.14 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 1.16 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 2fhm h ASP 38 CO 0.52 0.00 -0.05 -0.78 -2.88 0.00 0.00 179.24 176.05 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.05 -3.46 116.42 116.78 2fhm h ASP 39 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2fhm h ASP 39 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2fhm h ASP 39 CO -0.00 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 2fhm n GLY 40 N -1.26 1.81 3.52 -0.78 0.00 -0.22 -5.13 105.19 103.13 2fhm n GLY 40 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.43 -4.44 1.61 3.00 -1.24 -4.80 116.66 109.35 2fhm n ARG 41 Ca 0.00 -0.37 -0.29 0.00 -0.01 0.00 0.00 57.85 57.17 2fhm n ARG 41 Cb 0.00 -2.17 -0.13 0.00 0.00 0.00 0.00 32.46 30.16 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 -2.48 2.35 -0.01 1.55 1.01 0.16 -0.68 120.40 122.30 2fhm s VAL 42 Ca 0.66 -1.66 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2fhm s VAL 42 Cb -0.23 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2fhm s VAL 42 CO 0.63 0.13 -0.14 -0.70 0.00 0.00 0.00 175.10 175.02 2fhm s GLU 43 N -1.96 1.15 0.00 2.72 2.12 -0.07 -0.97 118.70 121.71 2fhm s GLU 43 Ca 0.14 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.00 2fhm s GLU 43 Cb -0.10 -1.11 -0.01 0.00 0.26 0.00 0.00 34.13 33.18 2fhm s GLU 43 CO 0.06 0.29 -0.06 0.42 -0.54 0.00 0.00 175.26 175.43 2fhm s ILE 44 N -0.28 0.42 -0.14 -3.70 1.01 -0.10 -1.28 121.20 117.14 2fhm s ILE 44 Ca 0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 2fhm s ILE 44 Cb -0.06 -0.39 0.05 0.00 0.01 0.00 0.00 42.46 42.08 2fhm s ILE 44 CO -0.00 0.02 0.32 -0.22 0.00 0.00 0.00 174.94 175.06 2fhm s LEU 45 N -0.38 0.15 -0.10 2.97 0.20 -0.56 -0.50 118.68 120.45 2fhm s LEU 45 Ca -0.00 0.69 -0.18 0.00 0.69 0.00 0.00 54.13 55.33 2fhm s LEU 45 Cb -0.03 1.01 0.04 0.00 -0.43 0.00 0.00 46.19 46.77 2fhm s LEU 45 CO -0.00 -0.18 0.45 0.00 -0.29 0.00 0.00 176.35 176.32 2fhm s ALA 46 N 1.40 -1.13 0.34 5.97 0.00 -1.02 -0.52 121.76 126.80 2fhm s ALA 46 Ca -0.09 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 2fhm s ALA 46 Cb -0.10 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 2fhm s ALA 46 CO -0.10 -0.26 0.72 -1.83 0.00 0.00 0.00 175.76 174.29 2fhm s GLU 47 N -0.54 3.89 0.00 0.00 -1.05 0.35 -0.87 118.70 120.48 2fhm s GLU 47 Ca -0.07 0.53 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 2fhm s GLU 47 Cb -0.03 -2.45 0.00 0.00 -0.44 0.00 0.00 34.13 31.21 2fhm s GLU 47 CO 0.03 0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.76 2fhm n GLY 48 N -0.69 -0.13 3.78 -3.83 0.00 -0.08 -2.48 105.19 101.75 2fhm n GLY 48 Ca 0.03 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 2.90 0.19 1.61 0.04 -1.26 -1.86 135.00 134.63 2fhm s PRO 49 Ca 0.00 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 2fhm s PRO 49 Cb 0.00 -1.97 0.21 0.00 0.04 0.00 0.00 34.50 32.78 2fhm s PRO 49 CO 0.00 -1.16 1.76 1.49 0.04 0.00 0.00 177.00 179.13 2fhm h GLU 50 N 0.11 0.43 -0.73 4.56 4.81 -1.95 -1.32 114.58 120.49 2fhm h GLU 50 Ca -0.47 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 2fhm h GLU 50 Cb 1.24 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2fhm h GLU 50 CO 0.55 0.29 0.28 -0.97 -0.73 0.00 0.00 179.01 178.42 2fhm h ASN 51 N 0.45 1.02 -0.15 1.04 -0.73 -1.99 -0.28 115.58 114.93 2fhm h ASN 51 Ca 0.27 -0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 2fhm h ASN 51 Cb 0.26 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 2fhm h ASN 51 CO -0.24 0.92 0.07 0.00 -0.37 0.00 0.00 177.43 177.81 2fhm h ALA 52 N 1.13 0.19 -0.31 1.57 0.00 -1.69 -0.47 119.26 119.69 2fhm h ALA 52 Ca 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2fhm h ALA 52 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2fhm h ALA 52 CO -0.02 -0.23 0.15 -0.07 0.00 0.00 0.00 179.25 179.08 2fhm h LEU 53 N 0.10 0.41 -0.46 0.00 3.38 -1.03 -1.21 115.31 116.49 2fhm h LEU 53 Ca 0.05 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 2fhm h LEU 53 Cb 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2fhm h LEU 53 CO -0.01 0.42 -0.33 1.56 0.09 0.00 0.00 178.44 180.18 2fhm h GLN 54 N 0.36 0.93 -0.83 1.13 1.08 -1.00 -0.94 115.11 115.84 2fhm h GLN 54 Ca 0.11 -0.45 -0.03 0.00 -1.45 0.00 0.00 58.65 56.83 2fhm h GLN 54 Cb 0.13 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 2fhm h GLN 54 CO -0.01 1.11 0.42 0.77 -0.95 0.00 0.00 178.83 180.17 2fhm h SER 55 N 0.78 1.07 -0.27 1.46 0.02 -0.96 -1.13 113.55 114.52 2fhm h SER 55 Ca 0.08 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2fhm h SER 55 Cb 0.91 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2fhm h SER 55 CO 0.08 0.89 0.16 0.15 -1.14 0.00 0.00 176.83 176.97 2fhm h PHE 56 N 1.18 0.30 -0.78 3.45 3.04 -0.99 -1.26 116.94 121.87 2fhm h PHE 56 Ca 0.29 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.31 2fhm h PHE 56 Cb 0.09 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.44 2fhm h PHE 56 CO 0.01 0.18 0.47 0.28 -2.02 0.00 0.00 178.31 177.23 2fhm h VAL 57 N 0.33 1.01 -0.74 1.41 2.07 -0.47 -0.77 116.25 119.09 2fhm h VAL 57 Ca 0.10 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2fhm h VAL 57 Cb -0.01 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 2fhm h VAL 57 CO -0.05 0.16 0.35 -0.33 0.02 0.00 0.00 177.57 177.72 2fhm h GLU 58 N 0.85 1.07 -0.97 1.57 5.08 -0.93 0.08 114.58 121.33 2fhm h GLU 58 Ca 0.35 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2fhm h GLU 58 Cb 0.19 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2fhm h GLU 58 CO -0.18 0.84 0.62 0.00 -1.00 0.00 0.00 179.01 179.29 2fhm h ALA 59 N 1.18 1.23 0.45 3.43 0.00 -0.05 0.52 119.26 126.01 2fhm h ALA 59 Ca 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2fhm h ALA 59 Cb 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2fhm h ALA 59 CO -0.03 0.65 -0.22 0.28 0.00 0.00 0.00 179.25 179.93 2fhm h VAL 60 N 1.32 0.48 -0.73 0.00 2.07 -0.80 -3.24 116.25 115.36 2fhm h VAL 60 Ca 0.35 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2fhm h VAL 60 Cb -0.11 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2fhm h VAL 60 CO -0.07 0.06 0.48 0.50 0.02 0.00 0.00 177.57 178.56 2fhm h LYS 61 N -0.87 0.95 0.00 1.57 3.64 -0.67 -0.84 116.57 120.35 2fhm h LYS 61 Ca -0.06 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2fhm h LYS 61 Cb 0.57 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2fhm h LYS 61 CO 0.10 0.63 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.80 2fhm h ASN 62 N 0.98 0.00 -5.83 4.20 -1.24 -0.99 -3.44 115.58 109.26 2fhm h ASN 62 Ca 0.27 0.00 -0.39 0.00 0.71 0.00 0.00 56.30 56.89 2fhm h ASN 62 Cb -0.11 0.00 0.14 0.00 0.73 0.00 0.00 38.32 39.07 2fhm h ASN 62 CO -0.06 0.14 -0.71 0.61 -1.29 0.00 0.00 177.43 176.12 2fhm n GLY 63 N -0.54 -0.50 0.23 1.57 0.00 -0.32 -4.93 105.19 100.70 2fhm n GLY 63 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.47 -0.09 0.13 1.61 0.02 -1.75 -3.34 113.55 107.66 2fhm h SER 64 Ca -0.58 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 2fhm h SER 64 Cb 1.36 0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2fhm h SER 64 CO 0.55 -0.03 -0.06 1.55 -1.14 0.00 0.00 176.83 177.70 2fhm h PRO 65 N 0.20 -0.17 0.00 3.45 0.13 -1.91 -3.48 132.00 130.23 2fhm h PRO 65 Ca 0.31 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 2fhm h PRO 65 Cb 0.47 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2fhm h PRO 65 CO -0.43 0.19 0.00 0.34 -0.23 0.00 0.00 178.00 177.87 2fhm n PHE 66 N -4.87 -0.56 -1.68 1.56 7.35 -1.25 -5.12 117.46 112.88 2fhm n PHE 66 Ca -0.06 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.24 2fhm n PHE 66 Cb 0.22 0.11 0.03 0.00 0.35 0.00 0.00 39.48 40.19 2fhm n PHE 66 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2fhm n SER 67 N -1.97 2.05 -3.57 -2.13 3.41 -1.26 -5.03 113.62 105.13 2fhm n SER 67 Ca 0.00 0.99 -0.16 0.00 -0.26 0.00 0.00 58.87 59.44 2fhm n SER 67 Cb 0.00 -1.48 -0.06 0.00 -0.26 0.00 0.00 64.21 62.41 2fhm n SER 67 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2fhm s LYS 68 N -2.51 1.00 0.40 4.33 0.00 -0.30 -4.28 119.74 118.39 2fhm s LYS 68 Ca 0.68 0.04 -0.08 0.00 0.00 0.00 0.00 55.97 56.61 2fhm s LYS 68 Cb -0.47 0.47 -0.05 0.00 0.00 0.00 0.00 37.83 37.78 2fhm s LYS 68 CO 0.53 -0.33 0.73 0.14 0.00 0.00 0.00 175.35 176.42 2fhm s VAL 69 N -1.61 4.87 0.00 1.79 -7.23 -1.26 -0.89 120.40 116.07 2fhm s VAL 69 Ca -0.10 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 2fhm s VAL 69 Cb -0.01 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.16 2fhm s VAL 69 CO 0.05 -0.56 0.00 0.35 -0.31 0.00 0.00 175.10 174.63 2fhm n THR 70 N -1.48 0.00 -3.75 5.32 -2.24 0.38 -4.88 114.28 107.64 2fhm n THR 70 Ca 0.01 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 2fhm n THR 70 Cb 0.54 0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.17 -0.33 -0.12 3.42 2.15 -0.75 -4.99 116.67 114.88 2fhm s ASP 71 Ca 0.00 0.63 -0.10 0.00 0.43 0.00 0.00 52.55 53.51 2fhm s ASP 71 Cb 0.00 0.59 0.03 0.00 -0.30 0.00 0.00 42.92 43.24 2fhm s ASP 71 CO 0.00 -0.13 0.31 -0.51 -0.17 0.00 0.00 175.17 174.66 2fhm s ILE 72 N 0.62 -0.01 0.01 4.11 2.07 -1.26 -1.24 121.20 125.50 2fhm s ILE 72 Ca -0.04 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 2fhm s ILE 72 Cb -0.05 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 42.09 2fhm s ILE 72 CO -0.04 0.01 -0.02 -0.44 -1.91 0.00 0.00 174.94 172.54 2fhm s SER 73 N 0.42 0.20 0.02 4.50 0.01 -0.24 -5.02 113.70 113.60 2fhm s SER 73 Ca -0.02 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.94 2fhm s SER 73 Cb -0.04 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 2fhm s SER 73 CO -0.02 -0.18 -0.06 -0.69 0.41 0.00 0.00 173.24 172.71 2fhm s VAL 74 N -0.90 0.42 0.07 3.43 1.01 -1.26 -1.44 120.40 121.72 2fhm s VAL 74 Ca -0.09 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2fhm s VAL 74 Cb -0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2fhm s VAL 74 CO -0.01 -0.12 -0.18 -0.89 0.00 0.00 0.00 175.10 173.90 2fhm s THR 75 N -0.67 1.47 -0.01 3.92 2.01 0.59 -5.00 115.64 117.95 2fhm s THR 75 Ca -0.04 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.68 2fhm s THR 75 Cb -0.05 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.14 2fhm s THR 75 CO 0.00 0.00 -0.00 -0.70 -0.69 0.00 0.00 174.62 173.23 2fhm s GLU 76 N -1.50 0.14 0.19 4.92 2.12 -1.26 -1.01 118.70 122.29 2fhm s GLU 76 Ca 0.04 0.04 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 2fhm s GLU 76 Cb -0.09 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.01 2fhm s GLU 76 CO 0.03 -0.07 0.21 -1.12 -0.54 0.00 0.00 175.26 173.77 2fhm s SER 77 N 0.55 0.12 0.00 -1.70 0.01 0.03 -4.98 113.70 107.73 2fhm s SER 77 Ca -0.05 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2fhm s SER 77 Cb -0.08 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2fhm s SER 77 CO -0.01 -0.88 0.51 0.54 0.41 0.00 0.00 173.24 173.80 2fhm n ARG 78 N -0.24 -0.80 -0.10 12.44 3.00 -1.26 -0.97 116.66 128.73 2fhm n ARG 78 Ca -0.02 -0.53 -0.06 0.00 -0.01 0.00 0.00 57.85 57.23 2fhm n ARG 78 Cb 0.64 -0.99 0.13 0.00 0.00 0.00 0.00 32.46 32.25 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 0.00 0.77 -2.94 0.55 0.02 -1.93 -3.47 113.55 106.56 2fhm h SER 79 Ca 0.00 -0.22 0.35 0.00 -0.84 0.00 0.00 61.79 61.08 2fhm h SER 79 Cb 0.04 -0.21 -0.10 0.00 0.14 0.00 0.00 62.40 62.27 2fhm h SER 79 CO 0.00 0.89 -0.56 0.18 -1.14 0.00 0.00 176.83 176.20 2fhm n LEU 80 N -4.18 -0.67 0.00 5.07 7.99 -1.26 -4.91 117.00 119.04 2fhm n LEU 80 Ca 0.02 1.49 0.00 0.00 -0.01 0.00 0.00 56.01 57.51 2fhm n LEU 80 Cb 0.35 -4.06 0.00 0.00 -0.11 0.00 0.00 43.42 39.59 2fhm n LEU 80 CO 0.43 -3.29 -0.40 -0.62 -1.51 0.00 0.00 177.39 172.00 2fhm n GLU 81 N -3.89 2.50 -1.56 3.23 -0.58 -1.26 -5.06 120.64 114.02 2fhm n GLU 81 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2fhm n GLU 81 Cb 0.65 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.62 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 2.32 0.91 3.24 0.62 0.00 -1.26 -5.10 105.19 105.92 2fhm n GLY 82 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 2fhm n GLY 82 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2fhm s HIS 83 N -2.60 1.22 -0.08 1.61 -3.43 -1.26 -5.07 115.29 105.67 2fhm s HIS 83 Ca 0.00 -1.10 0.25 0.00 -0.80 0.00 0.00 55.06 53.41 2fhm s HIS 83 Cb 0.00 -0.69 0.45 0.00 -1.43 0.00 0.00 32.58 30.91 2fhm s HIS 83 CO 0.00 -0.30 1.15 0.72 -2.00 0.00 0.00 174.74 174.31 2fhm n HIS 84 N -0.26 0.37 -4.27 0.38 8.25 -1.26 -4.76 115.22 113.67 2fhm n HIS 84 Ca -0.05 -1.01 -0.15 0.00 -0.26 0.00 0.00 57.72 56.25 2fhm n HIS 84 Cb 0.64 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.16 1.13 -0.07 -0.41 1.70 -1.26 -4.99 118.95 113.88 2fhm s ARG 85 Ca 0.31 -1.50 -0.01 0.00 -0.47 0.00 0.00 55.73 54.07 2fhm s ARG 85 Cb 0.36 -0.66 0.03 0.00 -0.57 0.00 0.00 34.95 34.11 2fhm s ARG 85 CO -0.13 0.05 -0.02 -0.59 -1.08 0.00 0.00 175.30 173.53 2fhm s PHE 86 N -3.32 0.81 0.11 5.89 -0.12 -1.26 -1.08 117.98 119.01 2fhm s PHE 86 Ca 0.19 -0.26 -0.03 0.00 -0.05 0.00 0.00 56.93 56.78 2fhm s PHE 86 Cb 0.03 -0.83 -0.03 0.00 -0.63 0.00 0.00 43.02 41.55 2fhm s PHE 86 CO 0.02 -0.32 0.08 -1.12 -0.05 0.00 0.00 175.22 173.84 2fhm s SER 87 N 1.68 0.29 -0.10 1.98 0.01 -0.31 -4.96 113.70 112.29 2fhm s SER 87 Ca 0.01 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.20 2fhm s SER 87 Cb -0.13 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.43 2fhm s SER 87 CO -0.04 -0.72 -0.04 -0.63 0.41 0.00 0.00 173.24 172.21 2fhm s ILE 88 N -3.99 0.75 0.25 1.44 1.01 -1.26 -1.35 121.20 118.04 2fhm s ILE 88 Ca 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.71 2fhm s ILE 88 Cb 0.07 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2fhm s ILE 88 CO -0.02 0.32 0.13 0.68 0.00 0.00 0.00 174.94 176.04 2fhm s VAL 89 N 1.82 0.29 -0.04 2.92 -7.23 -0.45 -4.96 120.40 112.76 2fhm s VAL 89 Ca 0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.27 2fhm s VAL 89 Cb -0.12 -2.56 0.08 0.00 0.56 0.00 0.00 36.38 34.33 2fhm s VAL 89 CO -0.07 0.00 0.94 -1.22 -0.31 0.00 0.00 175.10 174.44 2fhm n TYR 90 N -0.41 0.00 0.00 2.82 4.02 -1.26 -4.38 117.16 117.94 2fhm n TYR 90 Ca 0.01 -0.36 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 2fhm n TYR 90 Cb 0.66 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28