#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdo s GLN 23 N 0.00 4.21 0.46 9.51 1.11 -1.26 -4.96 119.66 128.73 3fdo s GLN 23 Ca 0.00 1.66 0.25 0.00 0.01 0.00 0.00 55.36 57.28 3fdo s GLN 23 Cb 0.00 -2.69 1.03 0.00 -1.01 0.00 0.00 33.01 30.33 3fdo s GLN 23 CO 0.00 -0.13 1.87 0.97 0.01 0.00 0.00 175.29 178.01 3fdo h ILE 24 N 2.38 0.55 -0.50 1.08 6.09 -2.04 -2.87 117.51 122.21 3fdo h ILE 24 Ca -0.48 -1.01 0.00 0.00 -1.37 0.00 0.00 64.86 62.00 3fdo h ILE 24 Cb 1.22 1.69 0.00 0.00 0.47 0.00 0.00 36.82 40.20 3fdo h ILE 24 CO 0.63 0.20 0.00 -0.46 -3.07 0.00 0.00 178.15 175.45 3fdo n ASN 25 N -3.42 4.18 -4.91 2.19 6.94 -1.26 -4.36 115.26 114.61 3fdo n ASN 25 Ca -0.00 -2.48 -0.32 0.00 -0.02 0.00 0.00 54.58 51.76 3fdo n ASN 25 Cb 0.39 -0.56 -0.04 0.00 -2.36 0.00 0.00 39.78 37.21 3fdo n ASN 25 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3fdo s GLN 26 N -1.99 3.45 0.09 -3.83 -1.52 -1.09 -4.26 119.66 110.52 3fdo s GLN 26 Ca 0.42 -0.39 0.03 0.00 -1.95 0.00 0.00 55.36 53.47 3fdo s GLN 26 Cb 0.28 -3.05 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 3fdo s GLN 26 CO 0.17 0.62 -0.10 0.14 -0.25 0.00 0.00 175.29 175.87 3fdo s VAL 27 N -1.47 0.89 -0.29 1.09 -7.23 0.11 -4.45 120.40 109.05 3fdo s VAL 27 Ca 0.33 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 3fdo s VAL 27 Cb -0.13 -1.27 0.05 0.00 0.56 0.00 0.00 36.38 35.59 3fdo s VAL 27 CO 0.26 -0.53 -0.02 -0.60 -0.31 0.00 0.00 175.10 173.90 3fdo s ARG 28 N -2.63 2.50 0.29 4.82 3.52 0.15 -1.47 118.95 126.13 3fdo s ARG 28 Ca 0.03 -1.22 -0.29 0.00 -0.13 0.00 0.00 55.73 54.13 3fdo s ARG 28 Cb -0.04 -3.13 -0.10 0.00 -1.56 0.00 0.00 34.95 30.12 3fdo s ARG 28 CO -0.00 -0.58 1.31 -2.14 -0.81 0.00 0.00 175.30 173.09 3fdo s PRO 29 N 1.26 4.37 0.88 5.12 0.02 -1.26 -0.87 135.00 144.52 3fdo s PRO 29 Ca -0.04 2.17 -0.11 0.00 0.02 0.00 0.00 61.00 63.04 3fdo s PRO 29 Cb -0.19 -3.11 0.12 0.00 0.02 0.00 0.00 34.50 31.34 3fdo s PRO 29 CO -0.02 -0.21 1.10 0.15 -0.33 0.00 0.00 177.00 177.70 3fdo s LYS 30 N -1.22 1.37 0.20 5.54 1.02 0.49 -4.53 119.74 122.61 3fdo s LYS 30 Ca 0.52 1.17 -0.19 0.00 0.02 0.00 0.00 55.97 57.48 3fdo s LYS 30 Cb -0.39 -1.80 0.17 0.00 -0.52 0.00 0.00 37.83 35.30 3fdo s LYS 30 CO 0.48 -2.26 1.57 1.25 -0.92 0.00 0.00 175.35 175.47 3fdo h LEU 31 N -1.58 -1.28 -0.89 3.17 5.85 -1.95 0.55 115.31 119.19 3fdo h LEU 31 Ca -0.46 0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 3fdo h LEU 31 Cb 1.26 0.65 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 3fdo h LEU 31 CO 0.49 -0.30 -0.32 1.55 -0.34 0.00 0.00 178.44 179.52 3fdo h PRO 32 N -0.10 0.44 -0.34 5.25 0.13 -1.97 -0.64 132.00 134.78 3fdo h PRO 32 Ca 0.28 -0.19 -0.17 0.00 -0.87 0.00 0.00 66.00 65.06 3fdo h PRO 32 Cb 0.57 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 3fdo h PRO 32 CO -0.81 0.71 -0.44 1.25 -0.23 0.00 0.00 178.00 178.48 3fdo h LEU 33 N 0.38 0.94 -1.22 1.56 5.85 -1.64 -2.85 115.31 118.34 3fdo h LEU 33 Ca 0.05 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3fdo h LEU 33 Cb 0.75 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3fdo h LEU 33 CO 0.06 1.24 0.36 0.25 -0.34 0.00 0.00 178.44 180.01 3fdo h LEU 34 N 0.70 0.80 -0.56 2.25 5.85 -0.42 -1.46 115.31 122.46 3fdo h LEU 34 Ca 0.04 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3fdo h LEU 34 Cb 1.03 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3fdo h LEU 34 CO 0.10 0.64 0.32 0.50 -0.34 0.00 0.00 178.44 179.66 3fdo h LYS 35 N 0.90 0.59 -0.23 1.25 3.64 -0.94 0.86 116.57 122.65 3fdo h LYS 35 Ca 0.23 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3fdo h LYS 35 Cb 0.02 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3fdo h LYS 35 CO -0.04 0.39 0.11 0.82 -2.27 0.00 0.00 179.45 178.47 3fdo h ILE 36 N 0.61 1.00 -0.48 2.00 2.04 -1.17 -0.49 117.51 121.02 3fdo h ILE 36 Ca 0.24 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 3fdo h ILE 36 Cb 0.10 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3fdo h ILE 36 CO -0.14 0.04 0.25 -0.07 0.00 0.00 0.00 178.15 178.24 3fdo h LEU 37 N 0.24 0.62 -0.91 1.44 3.38 -0.85 -1.94 115.31 117.29 3fdo h LEU 37 Ca 0.09 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3fdo h LEU 37 Cb 0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3fdo h LEU 37 CO -0.06 0.55 0.60 0.45 0.09 0.00 0.00 178.44 180.06 3fdo h HIS 38 N 0.64 1.15 0.00 1.13 3.86 -0.72 -1.35 115.15 119.86 3fdo h HIS 38 Ca 0.17 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3fdo h HIS 38 Cb 0.08 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.16 3fdo h HIS 38 CO -0.01 0.73 0.00 0.00 0.86 0.00 0.00 177.93 179.51 3fdo n ALA 39 N -2.36 1.51 -0.19 2.45 0.00 -0.20 -1.21 120.51 120.51 3fdo n ALA 39 Ca 0.10 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.59 3fdo n ALA 39 Cb 0.02 -1.21 0.17 0.00 0.00 0.00 0.00 19.45 18.44 3fdo n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fdo n ALA 40 N -1.54 2.20 0.00 0.00 0.00 -0.74 -4.98 120.51 115.45 3fdo n ALA 40 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.31 3fdo n ALA 40 Cb 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3fdo n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fdo n GLY 41 N 0.65 0.87 3.79 0.00 0.00 -0.35 -4.81 105.19 105.34 3fdo n GLY 41 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3fdo n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fdo s ALA 42 N -2.00 2.71 -0.02 4.61 0.00 -0.59 -4.99 121.76 121.47 3fdo s ALA 42 Ca 0.00 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.59 3fdo s ALA 42 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3fdo s ALA 42 CO 0.00 -0.78 -0.23 -1.14 0.00 0.00 0.00 175.76 173.61 3fdo s GLN 43 N -3.73 1.91 0.10 0.00 -0.44 -1.26 -4.49 119.66 111.75 3fdo s GLN 43 Ca 0.67 -0.82 0.00 0.00 -2.50 0.00 0.00 55.36 52.71 3fdo s GLN 43 Cb -0.19 -1.83 0.00 0.00 -1.64 0.00 0.00 33.01 29.36 3fdo s GLN 43 CO 0.32 0.48 0.00 0.41 0.50 0.00 0.00 175.29 177.00 3fdo n GLY 44 N 2.56 -1.72 0.00 2.59 0.00 -1.26 -4.85 105.19 102.52 3fdo n GLY 44 Ca -0.16 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3fdo n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fdo n GLU 45 N 0.00 0.55 -4.46 1.61 -0.58 -1.26 -5.01 120.64 111.49 3fdo n GLU 45 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 3fdo n GLU 45 Cb 0.00 -0.97 -0.14 0.00 -0.57 0.00 0.00 31.44 29.76 3fdo n GLU 45 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3fdo s MET 46 N -1.89 1.06 0.09 3.49 -1.94 -1.26 -4.10 119.30 114.75 3fdo s MET 46 Ca 0.00 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.12 3fdo s MET 46 Cb 0.00 -1.08 0.01 0.00 2.01 0.00 0.00 34.83 35.78 3fdo s MET 46 CO 0.00 0.27 0.26 -0.06 -0.01 0.00 0.00 175.02 175.48 3fdo s PHE 47 N -0.75 0.03 0.68 -0.03 0.08 -0.54 -4.94 117.98 112.50 3fdo s PHE 47 Ca 0.03 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.58 3fdo s PHE 47 Cb -0.08 0.04 -0.00 0.00 -0.57 0.00 0.00 43.02 42.41 3fdo s PHE 47 CO 0.01 -0.58 1.06 0.95 -0.10 0.00 0.00 175.22 176.56 3fdo s THR 48 N -3.66 4.13 0.32 0.64 -4.23 -1.26 0.08 115.64 111.66 3fdo s THR 48 Ca 0.03 0.69 0.01 0.00 -1.18 0.00 0.00 61.69 61.24 3fdo s THR 48 Cb 0.03 -3.57 0.22 0.00 1.34 0.00 0.00 72.50 70.52 3fdo s THR 48 CO -0.10 -0.90 1.93 0.58 -0.54 0.00 0.00 174.62 175.59 3fdo h VAL 49 N -0.59 1.19 -0.66 2.29 2.07 -1.96 -1.43 116.25 117.17 3fdo h VAL 49 Ca -0.44 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 66.59 3fdo h VAL 49 Cb 1.21 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3fdo h VAL 49 CO 0.60 0.22 0.41 0.50 0.02 0.00 0.00 177.57 179.32 3fdo h LYS 50 N 0.84 0.78 -0.56 1.57 3.64 -1.94 -1.39 116.57 119.52 3fdo h LYS 50 Ca 0.21 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3fdo h LYS 50 Cb 0.06 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3fdo h LYS 50 CO -0.03 0.52 0.20 0.93 -2.27 0.00 0.00 179.45 178.80 3fdo h GLU 51 N 0.81 0.85 -0.55 1.90 5.08 -1.72 -0.20 114.58 120.75 3fdo h GLU 51 Ca 0.26 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3fdo h GLU 51 Cb 0.01 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 3fdo h GLU 51 CO -0.10 0.75 0.30 0.28 -1.00 0.00 0.00 179.01 179.24 3fdo h VAL 52 N 0.77 0.98 -0.34 3.13 2.07 -0.93 -1.45 116.25 120.48 3fdo h VAL 52 Ca 0.18 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 3fdo h VAL 52 Cb 0.24 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3fdo h VAL 52 CO -0.01 0.10 -0.22 0.24 0.02 0.00 0.00 177.57 177.70 3fdo h MET 53 N 0.57 0.66 0.14 1.57 2.86 -0.89 -0.67 114.93 119.17 3fdo h MET 53 Ca 0.24 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3fdo h MET 53 Cb 0.12 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3fdo h MET 53 CO -0.15 0.83 -0.12 1.25 1.06 0.00 0.00 176.91 179.78 3fdo h HIS 54 N 0.58 -0.31 -0.20 -0.22 6.17 -0.61 -0.07 115.15 120.49 3fdo h HIS 54 Ca 0.08 -0.00 -0.14 0.00 0.71 0.00 0.00 60.37 61.03 3fdo h HIS 54 Cb 0.69 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.73 3fdo h HIS 54 CO 0.03 -0.18 -0.44 1.88 0.71 0.00 0.00 177.93 179.92 3fdo h TYR 55 N -0.28 0.60 -0.66 5.26 0.05 -1.07 -0.45 116.97 120.42 3fdo h TYR 55 Ca -0.00 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 3fdo h TYR 55 Cb 0.25 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 3fdo h TYR 55 CO -0.11 0.86 0.27 1.25 -1.05 0.00 0.00 178.16 179.38 3fdo h LEU 56 N 0.40 0.91 -0.55 3.88 6.46 -1.06 0.49 115.31 125.85 3fdo h LEU 56 Ca 0.03 -0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.59 3fdo h LEU 56 Cb 0.94 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 3fdo h LEU 56 CO 0.08 0.83 0.20 1.23 -0.62 0.00 0.00 178.44 180.16 3fdo h GLY 57 N 0.94 0.89 1.05 3.75 0.00 -0.74 -2.07 103.07 106.89 3fdo h GLY 57 Ca 0.22 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3fdo h GLY 57 CO -0.02 0.47 0.39 1.46 0.00 0.00 0.00 176.54 178.85 3fdo h GLN 58 N 0.75 1.22 -0.04 4.80 1.08 -0.68 -0.09 115.11 122.15 3fdo h GLN 58 Ca 0.18 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 3fdo h GLN 58 Cb 0.23 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3fdo h GLN 58 CO -0.01 0.94 -0.11 -0.92 -0.95 0.00 0.00 178.83 177.78 3fdo h TYR 59 N 1.20 -0.29 -0.66 2.96 3.20 -0.56 0.39 116.97 123.21 3fdo h TYR 59 Ca 0.29 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 3fdo h TYR 59 Cb 0.13 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3fdo h TYR 59 CO 0.02 -0.17 0.23 0.82 -1.64 0.00 0.00 178.16 177.41 3fdo h ILE 60 N -0.17 1.25 -0.11 1.81 2.04 -1.16 -2.08 117.51 119.08 3fdo h ILE 60 Ca 0.06 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 3fdo h ILE 60 Cb 0.25 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3fdo h ILE 60 CO -0.15 0.32 -0.08 -0.03 0.00 0.00 0.00 178.15 178.22 3fdo h MET 61 N 0.95 0.25 -0.10 2.37 4.05 -0.85 -0.99 114.93 120.62 3fdo h MET 61 Ca 0.22 -0.12 -0.22 0.00 -0.28 0.00 0.00 59.70 59.29 3fdo h MET 61 Cb 0.26 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.07 3fdo h MET 61 CO -0.01 0.63 -0.83 0.28 0.23 0.00 0.00 176.91 177.21 3fdo h VAL 62 N -0.12 1.31 0.00 -5.77 2.07 -0.93 -2.20 116.25 110.61 3fdo h VAL 62 Ca 0.02 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.45 3fdo h VAL 62 Cb 0.57 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3fdo h VAL 62 CO 0.02 0.65 0.00 0.29 0.02 0.00 0.00 177.57 178.55 3fdo n LYS 63 N -3.89 0.06 -3.58 1.57 5.02 -0.79 -4.93 118.16 111.63 3fdo n LYS 63 Ca -0.07 0.21 -0.20 0.00 -2.02 0.00 0.00 58.31 56.23 3fdo n LYS 63 Cb 0.77 -1.60 0.05 0.00 -0.02 0.00 0.00 35.03 34.24 3fdo n LYS 63 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3fdo n GLN 64 N -1.70 -5.18 0.20 1.97 6.02 -0.54 -4.92 117.38 113.23 3fdo n GLN 64 Ca 0.04 0.71 0.09 0.00 -0.01 0.00 0.00 57.00 57.83 3fdo n GLN 64 Cb 0.25 -5.41 0.21 0.00 1.02 0.00 0.00 30.24 26.31 3fdo n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3fdo h LEU 65 N -1.83 0.00-10.06 1.08 3.38 -1.51 -3.45 115.31 102.92 3fdo h LEU 65 Ca -0.61 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.85 3fdo h LEU 65 Cb 1.35 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.18 3fdo h LEU 65 CO 0.53 0.18 0.47 -0.72 0.09 0.00 0.00 178.44 179.00 3fdo s TYR 66 N -3.22 2.63 -0.20 1.13 -0.85 -1.26 -0.89 117.35 114.68 3fdo s TYR 66 Ca 0.05 1.52 -0.29 0.00 -0.52 0.00 0.00 57.07 57.83 3fdo s TYR 66 Cb 0.07 -3.41 -0.03 0.00 0.38 0.00 0.00 41.96 38.97 3fdo s TYR 66 CO 0.68 -1.83 1.56 0.34 -1.52 0.00 0.00 175.55 174.77 3fdo s ASP 67 N -1.52 6.50 0.62 -0.18 3.68 0.71 -4.85 116.67 121.62 3fdo s ASP 67 Ca 0.71 1.66 0.32 0.00 2.13 0.00 0.00 52.55 57.37 3fdo s ASP 67 Cb -0.28 -2.53 1.78 0.00 -1.45 0.00 0.00 42.92 40.43 3fdo s ASP 67 CO 0.33 -1.15 2.10 -0.61 0.13 0.00 0.00 175.17 175.96 3fdo h GLN 68 N 10.20 0.00 -0.00 4.34 5.75 -1.91 -0.49 115.11 133.00 3fdo h GLN 68 Ca -0.33 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 3fdo h GLN 68 Cb 1.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.70 3fdo h GLN 68 CO 1.00 0.00 -0.74 1.04 -2.65 0.00 0.00 178.83 177.47 3fdo n GLN 69 N -3.47 0.25 -2.98 1.69 1.13 -1.26 -4.59 117.38 108.15 3fdo n GLN 69 Ca 0.00 -0.19 -0.07 0.00 -1.94 0.00 0.00 57.00 54.81 3fdo n GLN 69 Cb 0.31 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.15 3fdo n GLN 69 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3fdo s GLU 70 N -2.88 0.97 0.00 -1.09 2.12 -0.22 -5.06 118.70 112.54 3fdo s GLU 70 Ca 0.12 -1.02 0.26 0.00 0.36 0.00 0.00 54.97 54.68 3fdo s GLU 70 Cb 0.17 -0.25 1.35 0.00 0.26 0.00 0.00 34.13 35.66 3fdo s GLU 70 CO 0.76 -1.30 1.88 1.04 -0.54 0.00 0.00 175.26 177.10 3fdo n GLN 71 N 3.33 0.43 0.15 4.30 6.02 -1.04 -1.40 117.38 129.18 3fdo n GLN 71 Ca 0.18 0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.33 3fdo n GLN 71 Cb 0.54 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.62 3fdo n GLN 71 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 3fdo h HIS 72 N 0.00 0.00 -3.37 1.08 2.07 -1.97 -3.43 115.15 109.53 3fdo h HIS 72 Ca 0.00 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.94 3fdo h HIS 72 Cb 0.21 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.11 3fdo h HIS 72 CO 0.00 0.00 0.05 -1.64 -3.07 0.00 0.00 177.93 173.27 3fdo s MET 73 N -3.14 4.33 -0.22 5.12 -1.94 -0.49 -0.46 119.30 122.49 3fdo s MET 73 Ca 0.09 0.68 -0.04 0.00 -1.71 0.00 0.00 55.69 54.72 3fdo s MET 73 Cb 0.09 -3.50 -0.01 0.00 2.01 0.00 0.00 34.83 33.43 3fdo s MET 73 CO 0.63 -0.04 -0.04 0.08 -0.01 0.00 0.00 175.02 175.64 3fdo s VAL 74 N 1.21 3.36 -0.54 -6.03 1.01 -0.01 -0.21 120.40 119.18 3fdo s VAL 74 Ca 0.32 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3fdo s VAL 74 Cb -0.16 -2.54 0.11 0.00 0.00 0.00 0.00 36.38 33.80 3fdo s VAL 74 CO 0.13 0.41 0.54 -0.31 0.00 0.00 0.00 175.10 175.87 3fdo s TYR 75 N 1.48 3.18 -0.40 5.22 4.12 -0.06 -1.92 117.35 128.97 3fdo s TYR 75 Ca 0.06 -1.14 0.13 0.00 0.02 0.00 0.00 57.07 56.14 3fdo s TYR 75 Cb -0.14 -3.77 -0.17 0.00 -1.52 0.00 0.00 41.96 36.36 3fdo s TYR 75 CO -0.03 -1.06 0.47 0.00 0.02 0.00 0.00 175.55 174.94 3fdo n GLY 77 N 1.47 1.15 0.91 0.00 0.00 0.35 -1.53 105.19 107.54 3fdo n GLY 77 Ca 0.01 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3fdo n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdo n GLY 78 N 2.88 1.87 3.75 -0.02 0.00 -1.26 -4.98 105.19 107.43 3fdo n GLY 78 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3fdo n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fdo s ASP 79 N -1.89 5.20 0.34 1.61 2.15 -0.58 -5.01 116.67 118.49 3fdo s ASP 79 Ca 0.00 -0.29 0.13 0.00 0.43 0.00 0.00 52.55 52.82 3fdo s ASP 79 Cb 0.00 -1.25 1.03 0.00 -0.30 0.00 0.00 42.92 42.40 3fdo s ASP 79 CO 0.00 0.04 1.68 0.25 -0.17 0.00 0.00 175.17 176.97 3fdo h LEU 80 N 2.20 0.56 -0.83 -1.34 5.85 -1.97 -0.41 115.31 119.37 3fdo h LEU 80 Ca -0.47 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3fdo h LEU 80 Cb 1.22 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 3fdo h LEU 80 CO 0.61 -0.07 0.46 0.25 -0.34 0.00 0.00 178.44 179.35 3fdo h LEU 81 N 0.40 1.03 -0.95 2.25 5.85 -1.95 -0.54 115.31 121.40 3fdo h LEU 81 Ca 0.71 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 59.27 3fdo h LEU 81 Cb 1.55 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3fdo h LEU 81 CO -0.57 0.83 0.08 1.23 -0.34 0.00 0.00 178.44 179.67 3fdo h GLY 82 N 1.15 0.91 0.93 3.75 0.00 -0.76 -0.20 103.07 108.86 3fdo h GLY 82 Ca 0.29 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3fdo h GLY 82 CO -0.05 0.52 0.07 -2.09 0.00 0.00 0.00 176.54 175.00 3fdo h GLU 83 N 0.80 0.19 -0.47 4.80 4.57 -0.67 0.90 114.58 124.71 3fdo h GLU 83 Ca 0.17 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3fdo h GLU 83 Cb 0.37 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3fdo h GLU 83 CO 0.01 0.22 0.22 1.25 -1.18 0.00 0.00 179.01 179.52 3fdo h LEU 84 N 0.12 0.63 -1.26 1.64 6.46 -0.94 -2.77 115.31 119.19 3fdo h LEU 84 Ca 0.05 -0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.60 3fdo h LEU 84 Cb 0.08 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 3fdo h LEU 84 CO -0.01 0.59 -0.33 -0.07 -0.62 0.00 0.00 178.44 178.00 3fdo h LEU 85 N 0.62 0.00 1.27 2.25 3.38 -0.91 -3.47 115.31 118.45 3fdo h LEU 85 Ca 0.16 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 3fdo h LEU 85 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3fdo h LEU 85 CO -0.02 0.33 -0.25 0.61 0.09 0.00 0.00 178.44 179.21 3fdo n GLY 86 N -0.24 0.17 3.10 0.83 0.00 0.29 -4.92 105.19 104.42 3fdo n GLY 86 Ca -0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 3fdo n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fdo s ARG 87 N -4.20 0.51 0.25 1.61 0.52 -1.09 -5.03 118.95 111.50 3fdo s ARG 87 Ca 0.00 -0.52 0.12 0.00 -0.52 0.00 0.00 55.73 54.81 3fdo s ARG 87 Cb 0.00 0.20 0.22 0.00 0.52 0.00 0.00 34.95 35.89 3fdo s ARG 87 CO 0.00 -0.12 1.52 1.96 0.02 0.00 0.00 175.30 178.68 3fdo h GLN 88 N 4.11 0.00 -2.98 3.54 4.20 -1.93 -3.36 115.11 118.70 3fdo h GLN 88 Ca -0.31 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 3fdo h GLN 88 Cb 1.19 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.86 3fdo h GLN 88 CO 0.43 0.67 0.22 -1.54 -0.67 0.00 0.00 178.83 177.94 3fdo s SER 89 N -6.68 -0.51 0.19 1.46 1.04 -1.26 -0.49 113.70 107.44 3fdo s SER 89 Ca 0.00 -0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 3fdo s SER 89 Cb 0.11 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.85 3fdo s SER 89 CO 0.76 -1.02 0.39 0.72 0.98 0.00 0.00 173.24 175.07 3fdo s PHE 90 N -3.76 0.24 -0.14 5.02 -0.12 -0.81 -4.96 117.98 113.45 3fdo s PHE 90 Ca 0.03 -0.59 -0.03 0.00 -0.05 0.00 0.00 56.93 56.29 3fdo s PHE 90 Cb -0.02 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.46 3fdo s PHE 90 CO -0.10 -0.82 -0.05 0.45 -0.05 0.00 0.00 175.22 174.65 3fdo s SER 91 N -2.95 4.72 0.57 1.98 0.15 -1.26 -0.83 113.70 116.08 3fdo s SER 91 Ca 0.16 -0.12 0.32 0.00 0.70 0.00 0.00 55.95 57.01 3fdo s SER 91 Cb 0.01 -1.68 1.70 0.00 -1.71 0.00 0.00 66.02 64.34 3fdo s SER 91 CO 0.01 0.20 2.15 0.58 1.20 0.00 0.00 173.24 177.38 3fdo h VAL 92 N 5.02 0.36 0.00 4.45 2.07 -1.13 -1.60 116.25 125.41 3fdo h VAL 92 Ca -0.33 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3fdo h VAL 92 Cb 1.19 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3fdo h VAL 92 CO 0.61 0.06 -0.10 0.11 0.02 0.00 0.00 177.57 178.27 3fdo h LYS 93 N 0.00 0.00 -2.47 1.57 1.57 -1.94 -3.35 116.57 111.95 3fdo h LYS 93 Ca -0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3fdo h LYS 93 Cb 0.25 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.15 3fdo h LYS 93 CO 0.01 0.10 -0.77 -0.25 -0.57 0.00 0.00 179.45 177.97 3fdo n ASP 94 N -3.17 1.96 0.00 0.86 8.00 -0.60 -5.00 116.55 118.59 3fdo n ASP 94 Ca 0.02 -3.00 0.13 0.00 0.71 0.00 0.00 54.79 52.64 3fdo n ASP 94 Cb 0.44 -0.67 0.77 0.00 -0.02 0.00 0.00 41.12 41.64 3fdo n ASP 94 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3fdo n PRO 95 N 1.71 0.93 -0.30 -0.24 -0.04 -1.24 -4.33 135.00 131.50 3fdo n PRO 95 Ca 0.25 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 3fdo n PRO 95 Cb 0.43 -1.43 0.33 0.00 -0.04 0.00 0.00 33.50 32.79 3fdo n PRO 95 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fdo h SER 96 N 0.00 0.75 0.02 3.54 4.64 -1.94 0.15 113.55 120.70 3fdo h SER 96 Ca 0.00 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 3fdo h SER 96 Cb 0.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3fdo h SER 96 CO 0.00 0.37 -0.16 -0.65 -0.87 0.00 0.00 176.83 175.53 3fdo h PRO 97 N 0.79 0.28 -0.19 4.77 0.11 -1.95 0.23 132.00 136.04 3fdo h PRO 97 Ca 0.48 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.38 3fdo h PRO 97 Cb 0.67 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3fdo h PRO 97 CO -0.24 0.45 -0.39 1.25 -0.21 0.00 0.00 178.00 178.86 3fdo h LEU 98 N 0.27 0.67 -1.04 2.35 5.85 -1.13 -2.44 115.31 119.84 3fdo h LEU 98 Ca 0.05 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.15 3fdo h LEU 98 Cb 0.44 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3fdo h LEU 98 CO 0.03 1.10 -0.00 1.88 -0.34 0.00 0.00 178.44 181.10 3fdo h TYR 99 N 0.27 0.72 -0.54 1.25 0.99 -0.65 -0.75 116.97 118.26 3fdo h TYR 99 Ca 0.01 -0.09 0.05 0.00 2.00 0.00 0.00 58.73 60.70 3fdo h TYR 99 Cb 0.99 -0.20 -0.05 0.00 1.00 0.00 0.00 36.73 38.47 3fdo h TYR 99 CO 0.09 0.68 0.26 -0.44 -0.00 0.00 0.00 178.16 178.76 3fdo h ASP 100 N 0.64 0.37 -0.52 3.88 3.32 -0.49 -0.18 116.42 123.45 3fdo h ASP 100 Ca 0.13 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3fdo h ASP 100 Cb 0.41 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3fdo h ASP 100 CO 0.02 0.25 0.12 -0.03 -1.72 0.00 0.00 179.24 177.87 3fdo h MET 101 N 0.51 0.84 -0.70 3.56 4.05 -0.87 -2.57 114.93 119.75 3fdo h MET 101 Ca 0.24 -0.21 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 3fdo h MET 101 Cb 0.17 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3fdo h MET 101 CO -0.18 0.80 0.18 -0.07 0.23 0.00 0.00 176.91 177.87 3fdo h LEU 102 N 0.73 1.06 -0.88 3.39 3.38 -0.84 -1.27 115.31 120.88 3fdo h LEU 102 Ca 0.16 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.98 3fdo h LEU 102 Cb 0.35 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3fdo h LEU 102 CO 0.00 1.02 0.54 0.03 0.09 0.00 0.00 178.44 180.12 3fdo h ARG 103 N 1.06 0.91 0.00 1.13 3.08 -0.84 -1.01 114.38 118.71 3fdo h ARG 103 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3fdo h ARG 103 Cb 0.37 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3fdo h ARG 103 CO 0.00 0.60 -0.15 0.87 -1.07 0.00 0.00 179.97 180.22 3fdo h LYS 104 N 0.94 0.00 -0.11 0.04 1.57 -1.11 -3.35 116.57 114.54 3fdo h LYS 104 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3fdo h LYS 104 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3fdo h LYS 104 CO -0.21 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.76 3fdo n ASN 105 N -3.00 2.15 -4.28 0.86 3.02 -0.51 -4.94 115.26 108.56 3fdo n ASN 105 Ca 0.03 -1.82 -0.33 0.00 -0.03 0.00 0.00 54.58 52.44 3fdo n ASN 105 Cb 0.53 -0.07 -0.15 0.00 -0.61 0.00 0.00 39.78 39.47 3fdo n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fdo s LEU 106 N -0.86 2.44 -0.15 3.41 1.43 -0.43 -0.38 118.68 124.14 3fdo s LEU 106 Ca 0.08 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 3fdo s LEU 106 Cb 0.05 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 3fdo s LEU 106 CO 0.06 0.13 0.38 -0.69 0.23 0.00 0.00 176.35 176.46 3fdo s VAL 107 N 0.56 5.24 0.09 -1.59 1.01 -0.05 -4.90 120.40 120.75 3fdo s VAL 107 Ca -0.10 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.63 3fdo s VAL 107 Cb -0.16 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3fdo s VAL 107 CO 0.04 0.34 -0.06 0.42 0.00 0.00 0.00 175.10 175.84 3fdo s THR 108 N 0.66 0.58 -0.33 3.92 -4.23 -1.26 -0.67 115.64 114.31 3fdo s THR 108 Ca 0.21 -1.89 0.15 0.00 -1.18 0.00 0.00 61.69 58.98 3fdo s THR 108 Cb -0.14 -1.62 -0.20 0.00 1.34 0.00 0.00 72.50 71.87 3fdo s THR 108 CO 0.07 -0.89 0.47 0.18 -0.54 0.00 0.00 174.62 173.91 3fdo n LEU 109 N 0.02 0.32 -0.07 4.79 4.77 -1.26 -4.33 117.00 121.25 3fdo n LEU 109 Ca -0.13 -0.23 0.15 0.00 -0.03 0.00 0.00 56.01 55.78 3fdo n LEU 109 Cb 0.61 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.52 3fdo n LEU 109 CO 0.29 0.08 1.04 0.00 -1.33 0.00 0.00 177.39 177.47 3fdo n ALA 110 N -1.72 2.65 -0.29 -1.18 0.00 -1.26 -5.10 120.51 113.60 3fdo n ALA 110 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3fdo n ALA 110 Cb 0.32 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3fdo n ALA 110 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91