#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dab s GLN 23 N 0.00 2.02 0.06 9.51 -2.07 -1.26 -5.08 119.66 122.84 3dab s GLN 23 Ca 0.00 -1.27 -0.22 0.00 -1.82 0.00 0.00 55.36 52.06 3dab s GLN 23 Cb 0.00 0.59 -0.13 0.00 -1.09 0.00 0.00 33.01 32.38 3dab s GLN 23 CO 0.00 -0.94 1.50 0.82 -1.32 0.00 0.00 175.29 175.35 3dab h ILE 24 N 2.00 1.24 -4.32 3.63 1.08 -2.01 -3.43 117.51 115.69 3dab h ILE 24 Ca -0.29 -0.76 -0.51 0.00 -0.39 0.00 0.00 64.86 62.91 3dab h ILE 24 Cb 1.25 1.50 0.09 0.00 -3.07 0.00 0.00 36.82 36.58 3dab h ILE 24 CO 0.36 0.22 0.38 0.20 -0.69 0.00 0.00 178.15 178.62 3dab s ASN 25 N -5.69 5.53 -0.09 1.72 0.01 -1.26 -4.77 114.94 110.39 3dab s ASN 25 Ca -0.14 1.61 0.00 0.00 -0.71 0.00 0.00 52.86 53.62 3dab s ASN 25 Cb 0.05 -2.50 -0.06 0.00 0.41 0.00 0.00 41.25 39.16 3dab s ASN 25 CO 0.71 -1.34 -0.08 0.00 -1.51 0.00 0.00 177.10 174.87 3dab n GLN 26 N -2.96 0.22 -4.10 -0.60 6.02 -0.12 -4.88 117.38 110.96 3dab n GLN 26 Ca 0.07 0.05 -0.10 0.00 -0.01 0.00 0.00 57.00 57.02 3dab n GLN 26 Cb 0.54 -1.14 -0.10 0.00 1.02 0.00 0.00 30.24 30.55 3dab n GLN 26 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3dab s VAL 27 N -2.17 0.46 -0.21 5.09 -7.23 -0.24 -1.34 120.40 114.75 3dab s VAL 27 Ca -0.12 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 3dab s VAL 27 Cb 0.03 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.80 3dab s VAL 27 CO 0.20 -0.74 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.52 3dab s ARG 28 N -2.98 2.99 0.38 4.82 3.52 0.20 -1.16 118.95 126.72 3dab s ARG 28 Ca 0.01 -0.85 -0.25 0.00 -0.13 0.00 0.00 55.73 54.51 3dab s ARG 28 Cb 0.00 -2.78 -0.09 0.00 -1.56 0.00 0.00 34.95 30.53 3dab s ARG 28 CO -0.04 -0.27 1.11 -2.14 -0.81 0.00 0.00 175.30 173.15 3dab s PRO 29 N 1.33 4.18 0.77 5.12 0.02 -1.26 -0.30 135.00 144.86 3dab s PRO 29 Ca 0.03 1.71 -0.11 0.00 0.02 0.00 0.00 61.00 62.65 3dab s PRO 29 Cb -0.15 -2.70 0.06 0.00 0.02 0.00 0.00 34.50 31.73 3dab s PRO 29 CO -0.08 -0.17 1.09 0.15 -0.33 0.00 0.00 177.00 177.65 3dab s LYS 30 N -2.24 2.26 0.20 5.54 1.02 0.65 -4.57 119.74 122.60 3dab s LYS 30 Ca 0.55 1.12 -0.19 0.00 0.02 0.00 0.00 55.97 57.48 3dab s LYS 30 Cb -0.28 -1.90 0.18 0.00 -0.52 0.00 0.00 37.83 35.31 3dab s LYS 30 CO 0.35 -1.63 1.58 1.25 -0.92 0.00 0.00 175.35 175.98 3dab h LEU 31 N -1.12 -1.15 -1.24 3.17 5.85 -1.96 -0.18 115.31 118.68 3dab h LEU 31 Ca -0.44 0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 3dab h LEU 31 Cb 1.23 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 3dab h LEU 31 CO 0.52 -0.29 -0.12 1.55 -0.34 0.00 0.00 178.44 179.76 3dab h PRO 32 N -0.11 0.38 -0.25 5.25 0.13 -1.97 -1.08 132.00 134.35 3dab h PRO 32 Ca 0.28 -0.10 -0.17 0.00 -0.87 0.00 0.00 66.00 65.14 3dab h PRO 32 Cb 0.56 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3dab h PRO 32 CO -0.76 0.50 -0.53 1.25 -0.23 0.00 0.00 178.00 178.23 3dab h LEU 33 N 0.35 0.81 -0.57 1.56 5.85 -1.57 -2.76 115.31 118.99 3dab h LEU 33 Ca 0.07 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.40 3dab h LEU 33 Cb 0.43 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3dab h LEU 33 CO 0.02 1.18 0.33 0.25 -0.34 0.00 0.00 178.44 179.88 3dab h LEU 34 N 0.57 0.51 -0.72 2.25 5.85 -0.29 -1.32 115.31 122.15 3dab h LEU 34 Ca 0.02 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3dab h LEU 34 Cb 1.10 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 3dab h LEU 34 CO 0.11 0.35 0.38 0.11 -0.34 0.00 0.00 178.44 179.05 3dab h LYS 35 N 0.64 0.63 -0.35 1.25 1.57 -1.16 0.43 116.57 119.57 3dab h LYS 35 Ca 0.24 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3dab h LYS 35 Cb 0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3dab h LYS 35 CO -0.12 0.41 0.16 0.82 -0.57 0.00 0.00 179.45 180.15 3dab h ILE 36 N 0.65 1.17 -0.40 1.86 2.04 -1.10 -0.91 117.51 120.83 3dab h ILE 36 Ca 0.35 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 3dab h ILE 36 Cb 0.34 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3dab h ILE 36 CO -0.25 0.18 0.01 -0.07 0.00 0.00 0.00 178.15 178.02 3dab h LEU 37 N 0.42 0.67 -0.69 1.44 3.38 -0.78 -2.02 115.31 117.73 3dab h LEU 37 Ca 0.12 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3dab h LEU 37 Cb 0.14 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3dab h LEU 37 CO -0.01 0.81 0.42 0.45 0.09 0.00 0.00 178.44 180.19 3dab h HIS 38 N 0.52 0.79 -0.19 1.13 3.86 -0.88 -0.46 115.15 119.92 3dab h HIS 38 Ca 0.11 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 3dab h HIS 38 Cb 0.45 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 3dab h HIS 38 CO 0.03 0.43 0.14 0.00 0.86 0.00 0.00 177.93 179.39 3dab h ALA 39 N 1.31 2.17 -0.01 2.45 0.00 -0.62 -0.32 119.26 124.24 3dab h ALA 39 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3dab h ALA 39 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dab h ALA 39 CO -0.12 -0.23 -0.06 0.00 0.00 0.00 0.00 179.25 178.84 3dab n ALA 40 N -2.58 2.70 0.00 0.00 0.00 -0.81 -4.93 120.51 114.91 3dab n ALA 40 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3dab n ALA 40 Cb 0.27 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3dab n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dab n GLY 41 N 1.18 0.97 3.77 0.00 0.00 -0.13 -4.79 105.19 106.19 3dab n GLY 41 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3dab n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dab s ALA 42 N -2.00 3.33 -0.06 4.61 0.00 -0.23 -4.98 121.76 122.43 3dab s ALA 42 Ca 0.00 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.06 3dab s ALA 42 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3dab s ALA 42 CO 0.00 -0.49 -0.16 -0.65 0.00 0.00 0.00 175.76 174.46 3dab s GLN 43 N -1.92 2.66 0.44 0.00 -0.21 -1.26 -4.31 119.66 115.06 3dab s GLN 43 Ca 0.51 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 55.16 3dab s GLN 43 Cb -0.34 -2.39 0.00 0.00 1.00 0.00 0.00 33.01 31.28 3dab s GLN 43 CO 0.44 0.51 0.00 0.41 -2.12 0.00 0.00 175.29 174.54 3dab n GLY 44 N 2.63 -1.80 0.22 3.09 0.00 -1.26 -4.85 105.19 103.22 3dab n GLY 44 Ca -0.17 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.01 3dab n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dab n GLU 45 N 0.00 0.00 -4.29 1.61 0.28 -1.26 -4.98 120.64 112.00 3dab n GLU 45 Ca 0.00 -0.61 -0.20 0.00 -0.16 0.00 0.00 57.16 56.19 3dab n GLU 45 Cb 0.00 -0.42 -0.13 0.00 1.43 0.00 0.00 31.44 32.32 3dab n GLU 45 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 3dab s MET 46 N 0.00 0.93 0.11 3.44 -1.94 -1.26 -4.25 119.30 116.33 3dab s MET 46 Ca 0.00 -0.89 -0.08 0.00 -1.71 0.00 0.00 55.69 53.01 3dab s MET 46 Cb 0.00 -0.97 -0.01 0.00 2.01 0.00 0.00 34.83 35.86 3dab s MET 46 CO 0.00 0.23 0.20 -0.06 -0.01 0.00 0.00 175.02 175.38 3dab s PHE 47 N -1.05 0.24 0.54 -0.03 0.08 -0.31 -4.98 117.98 112.47 3dab s PHE 47 Ca 0.01 -0.65 -0.11 0.00 0.12 0.00 0.00 56.93 56.29 3dab s PHE 47 Cb -0.09 -0.08 -0.05 0.00 -0.57 0.00 0.00 43.02 42.23 3dab s PHE 47 CO 0.02 -0.58 0.94 0.95 -0.10 0.00 0.00 175.22 176.45 3dab s THR 48 N -3.89 4.71 0.31 0.64 -4.23 -1.26 -0.95 115.64 110.96 3dab s THR 48 Ca 0.08 0.82 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 3dab s THR 48 Cb 0.05 -3.81 0.17 0.00 1.34 0.00 0.00 72.50 70.24 3dab s THR 48 CO -0.08 -0.89 1.86 0.58 -0.54 0.00 0.00 174.62 175.55 3dab h VAL 49 N 0.29 1.21 -0.77 2.29 2.07 -1.95 -1.89 116.25 117.49 3dab h VAL 49 Ca -0.46 -0.75 0.11 0.00 0.82 0.00 0.00 66.70 66.42 3dab h VAL 49 Cb 1.19 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.62 3dab h VAL 49 CO 0.62 0.27 0.40 0.50 0.02 0.00 0.00 177.57 179.39 3dab h LYS 50 N 0.69 0.64 -0.53 1.57 3.11 -1.99 -0.82 116.57 119.22 3dab h LYS 50 Ca 0.15 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.89 3dab h LYS 50 Cb 0.27 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 3dab h LYS 50 CO -0.00 0.42 0.08 0.93 -2.81 0.00 0.00 179.45 178.06 3dab h GLU 51 N 0.65 0.89 -0.19 1.90 5.08 -1.75 -1.30 114.58 119.87 3dab h GLU 51 Ca 0.39 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3dab h GLU 51 Cb 0.43 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3dab h GLU 51 CO -0.29 0.87 0.05 0.28 -1.00 0.00 0.00 179.01 178.93 3dab h VAL 52 N 0.77 0.94 -0.53 3.13 2.07 -0.89 -1.09 116.25 120.65 3dab h VAL 52 Ca 0.16 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 3dab h VAL 52 Cb 0.42 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3dab h VAL 52 CO 0.01 0.02 0.23 0.24 0.02 0.00 0.00 177.57 178.09 3dab h MET 53 N 0.13 0.77 0.28 1.57 2.86 -1.04 -0.57 114.93 118.94 3dab h MET 53 Ca 0.08 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3dab h MET 53 Cb 0.06 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3dab h MET 53 CO -0.10 0.67 -0.14 1.25 1.06 0.00 0.00 176.91 179.65 3dab h HIS 54 N 0.71 -0.35 -0.06 -0.22 6.17 -1.01 -1.72 115.15 118.67 3dab h HIS 54 Ca 0.18 -0.01 -0.10 0.00 0.71 0.00 0.00 60.37 61.15 3dab h HIS 54 Cb 0.17 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.20 3dab h HIS 54 CO 0.00 -0.22 -0.41 1.88 0.71 0.00 0.00 177.93 179.89 3dab h TYR 55 N -0.38 0.15 -0.47 5.26 0.05 -1.13 -0.72 116.97 119.72 3dab h TYR 55 Ca -0.04 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.65 3dab h TYR 55 Cb 0.29 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3dab h TYR 55 CO -0.06 0.52 0.09 1.25 -1.05 0.00 0.00 178.16 178.91 3dab h LEU 56 N 0.11 0.74 -0.72 3.88 6.46 -1.00 -0.31 115.31 124.46 3dab h LEU 56 Ca 0.01 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 3dab h LEU 56 Cb 0.77 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 3dab h LEU 56 CO 0.06 0.80 0.42 1.23 -0.62 0.00 0.00 178.44 180.33 3dab h GLY 57 N 0.65 1.05 0.98 3.75 0.00 -1.05 -2.45 103.07 106.00 3dab h GLY 57 Ca 0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3dab h GLY 57 CO 0.01 0.43 0.24 1.46 0.00 0.00 0.00 176.54 178.68 3dab h GLN 58 N 0.98 0.59 -0.25 4.80 1.08 -0.75 -0.84 115.11 120.72 3dab h GLN 58 Ca 0.26 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.46 3dab h GLN 58 Cb -0.01 -0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.23 3dab h GLN 58 CO -0.05 0.46 -0.24 -0.92 -0.95 0.00 0.00 178.83 177.13 3dab h TYR 59 N 0.55 -0.64 -0.85 2.96 3.20 -0.93 0.14 116.97 121.40 3dab h TYR 59 Ca 0.15 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.09 3dab h TYR 59 Cb 0.04 0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 3dab h TYR 59 CO -0.03 -0.32 0.55 0.82 -1.64 0.00 0.00 178.16 177.55 3dab h ILE 60 N -0.25 1.16 -0.09 1.81 2.04 -1.25 0.38 117.51 121.31 3dab h ILE 60 Ca 0.14 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3dab h ILE 60 Cb 0.46 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3dab h ILE 60 CO -0.39 0.20 0.03 0.24 0.00 0.00 0.00 178.15 178.23 3dab h MET 61 N 1.09 0.15 0.00 2.37 2.86 -0.60 -1.41 114.93 119.38 3dab h MET 61 Ca 0.33 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.89 3dab h MET 61 Cb -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3dab h MET 61 CO -0.10 0.29 -0.75 0.28 1.06 0.00 0.00 176.91 177.68 3dab h VAL 62 N -0.03 0.27 0.00 -2.22 2.07 -0.86 -2.71 116.25 112.77 3dab h VAL 62 Ca 0.03 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3dab h VAL 62 Cb 0.20 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3dab h VAL 62 CO -0.00 0.15 0.00 0.29 0.02 0.00 0.00 177.57 178.03 3dab n LYS 63 N -2.93 0.07 -3.80 1.57 4.76 0.11 -4.96 118.16 112.98 3dab n LYS 63 Ca -0.01 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.17 3dab n LYS 63 Cb 0.64 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.35 3dab n LYS 63 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3dab n GLN 64 N -1.46 -2.97 0.13 1.97 6.02 -0.61 -4.90 117.38 115.55 3dab n GLN 64 Ca 0.08 0.48 0.12 0.00 -0.01 0.00 0.00 57.00 57.67 3dab n GLN 64 Cb 0.32 -4.56 0.22 0.00 1.02 0.00 0.00 30.24 27.25 3dab n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3dab h LEU 65 N -1.85 0.00-10.10 1.08 3.38 -1.64 -3.46 115.31 102.70 3dab h LEU 65 Ca -0.64 -0.05 -0.46 0.00 0.09 0.00 0.00 57.88 56.82 3dab h LEU 65 Cb 1.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.12 3dab h LEU 65 CO 0.56 0.03 0.36 -0.72 0.09 0.00 0.00 178.44 178.76 3dab s TYR 66 N -3.19 3.23 -0.14 1.13 -0.85 -1.26 -0.13 117.35 116.15 3dab s TYR 66 Ca 0.07 1.56 -0.29 0.00 -0.52 0.00 0.00 57.07 57.89 3dab s TYR 66 Cb 0.10 -2.91 -0.02 0.00 0.38 0.00 0.00 41.96 39.52 3dab s TYR 66 CO 0.68 -0.44 1.22 0.34 -1.52 0.00 0.00 175.55 175.83 3dab s ASP 67 N -2.38 6.99 0.33 -0.18 2.15 0.19 -4.89 116.67 118.88 3dab s ASP 67 Ca 0.63 1.70 0.08 0.00 0.43 0.00 0.00 52.55 55.39 3dab s ASP 67 Cb -0.12 -2.54 0.82 0.00 -0.30 0.00 0.00 42.92 40.77 3dab s ASP 67 CO 0.21 -0.70 1.79 1.56 -0.17 0.00 0.00 175.17 177.86 3dab h GLN 68 N 7.91 0.67 0.15 4.34 7.50 -1.95 -2.20 115.11 131.54 3dab h GLN 68 Ca -0.28 -0.04 -0.29 0.00 0.50 0.00 0.00 58.65 58.53 3dab h GLN 68 Cb 1.12 -0.15 0.02 0.00 0.05 0.00 0.00 27.48 28.52 3dab h GLN 68 CO 0.94 0.44 -1.28 1.96 -1.50 0.00 0.00 178.83 179.39 3dab h GLN 69 N 0.69 0.45 -2.83 1.46 4.20 -1.99 -3.41 115.11 113.68 3dab h GLN 69 Ca 0.57 -0.69 -0.61 0.00 0.06 0.00 0.00 58.65 57.98 3dab h GLN 69 Cb 0.98 0.25 -0.40 0.00 0.30 0.00 0.00 27.48 28.61 3dab h GLN 69 CO -0.35 1.31 -0.74 -2.00 -0.67 0.00 0.00 178.83 176.38 3dab s GLU 70 N -2.78 1.71 0.00 1.46 2.12 -0.85 -5.00 118.70 115.36 3dab s GLU 70 Ca -0.07 -2.67 0.31 0.00 0.36 0.00 0.00 54.97 52.90 3dab s GLU 70 Cb 0.06 -2.54 1.70 0.00 0.26 0.00 0.00 34.13 33.61 3dab s GLU 70 CO 0.91 -1.30 2.13 1.04 -0.54 0.00 0.00 175.26 177.51 3dab n GLN 71 N 2.57 0.77 0.22 4.30 6.02 -1.09 -1.50 117.38 128.67 3dab n GLN 71 Ca 0.21 -0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.30 3dab n GLN 71 Cb 0.39 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.46 3dab n GLN 71 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 3dab h HIS 72 N 0.08 0.00 -3.43 1.08 2.07 -1.94 -3.44 115.15 109.56 3dab h HIS 72 Ca 0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 3dab h HIS 72 Cb 0.15 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.03 3dab h HIS 72 CO 0.00 0.00 0.03 -1.64 -3.07 0.00 0.00 177.93 173.25 3dab s MET 73 N -3.30 4.21 -0.22 5.12 -1.94 -0.57 -0.58 119.30 122.03 3dab s MET 73 Ca 0.06 0.52 -0.05 0.00 -1.71 0.00 0.00 55.69 54.51 3dab s MET 73 Cb 0.07 -3.56 -0.02 0.00 2.01 0.00 0.00 34.83 33.33 3dab s MET 73 CO 0.63 -0.17 -0.01 0.08 -0.01 0.00 0.00 175.02 175.54 3dab s VAL 74 N 1.68 3.68 -0.47 -6.03 1.01 -0.27 -0.64 120.40 119.37 3dab s VAL 74 Ca 0.27 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 3dab s VAL 74 Cb -0.16 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.61 3dab s VAL 74 CO 0.10 0.40 0.39 -0.31 0.00 0.00 0.00 175.10 175.69 3dab s TYR 75 N 1.44 3.24 -1.03 5.22 1.51 0.81 -1.50 117.35 127.06 3dab s TYR 75 Ca 0.05 -0.92 0.09 0.00 -1.01 0.00 0.00 57.07 55.28 3dab s TYR 75 Cb -0.14 -3.15 0.11 0.00 -0.11 0.00 0.00 41.96 38.66 3dab s TYR 75 CO -0.01 -0.79 0.87 0.00 -1.11 0.00 0.00 175.55 174.52 3dab n GLY 77 N 0.46 1.24 2.84 0.00 0.00 -0.73 -1.26 105.19 107.74 3dab n GLY 77 Ca 0.06 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3dab n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dab n GLY 78 N 2.75 0.93 3.71 -0.02 0.00 -1.26 -4.99 105.19 106.31 3dab n GLY 78 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3dab n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dab s ASP 79 N -2.86 5.01 0.44 1.61 2.15 -0.39 -5.02 116.67 117.62 3dab s ASP 79 Ca 0.00 -0.31 0.16 0.00 0.43 0.00 0.00 52.55 52.83 3dab s ASP 79 Cb 0.00 -1.15 1.09 0.00 -0.30 0.00 0.00 42.92 42.55 3dab s ASP 79 CO 0.00 0.08 1.96 0.25 -0.17 0.00 0.00 175.17 177.29 3dab h LEU 80 N 2.58 0.33 -0.78 -1.34 5.85 -1.96 -1.45 115.31 118.54 3dab h LEU 80 Ca -0.47 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3dab h LEU 80 Cb 1.20 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 3dab h LEU 80 CO 0.60 0.18 0.47 0.25 -0.34 0.00 0.00 178.44 179.60 3dab h LEU 81 N 0.36 0.94 -0.63 2.25 5.85 -1.94 -0.52 115.31 121.61 3dab h LEU 81 Ca 0.31 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 3dab h LEU 81 Cb 0.73 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3dab h LEU 81 CO -0.08 0.72 0.13 1.23 -0.34 0.00 0.00 178.44 180.10 3dab h GLY 82 N 1.07 1.11 0.15 3.75 0.00 -1.00 0.32 103.07 108.46 3dab h GLY 82 Ca 0.28 -0.72 0.07 0.00 0.00 0.00 0.00 47.33 46.96 3dab h GLY 82 CO -0.05 0.67 -0.19 0.83 0.00 0.00 0.00 176.54 177.80 3dab h GLU 83 N 0.95 -0.15 -0.46 4.80 4.39 -1.05 0.43 114.58 123.49 3dab h GLU 83 Ca 0.20 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 3dab h GLU 83 Cb 0.40 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3dab h GLU 83 CO 0.01 -0.10 0.25 -0.07 -1.16 0.00 0.00 179.01 177.94 3dab h LEU 84 N -0.15 0.58 -0.76 1.33 3.38 -0.80 -2.81 115.31 116.08 3dab h LEU 84 Ca 0.16 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3dab h LEU 84 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3dab h LEU 84 CO -0.41 0.51 -0.26 -0.07 0.09 0.00 0.00 178.44 178.30 3dab h LEU 85 N 0.60 0.00 -1.37 1.67 3.38 -0.69 -3.47 115.31 115.43 3dab h LEU 85 Ca 0.16 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.88 3dab h LEU 85 Cb 0.07 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.93 3dab h LEU 85 CO -0.02 0.26 -0.52 0.61 0.09 0.00 0.00 178.44 178.86 3dab n GLY 86 N 0.49 -0.12 3.44 0.83 0.00 0.15 -4.98 105.19 105.00 3dab n GLY 86 Ca 0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 3dab n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dab s ARG 87 N -5.40 0.86 0.28 1.61 0.52 -0.87 -5.04 118.95 110.91 3dab s ARG 87 Ca 0.19 0.29 0.19 0.00 -0.52 0.00 0.00 55.73 55.87 3dab s ARG 87 Cb -0.08 0.40 0.10 0.00 0.52 0.00 0.00 34.95 35.89 3dab s ARG 87 CO 0.52 -0.23 1.32 1.96 0.02 0.00 0.00 175.30 178.89 3dab h GLN 88 N 3.81 0.00 -2.88 3.54 4.20 -1.91 -3.36 115.11 118.51 3dab h GLN 88 Ca -0.28 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.49 3dab h GLN 88 Cb 1.16 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.86 3dab h GLN 88 CO 0.33 0.22 0.27 -1.54 -0.67 0.00 0.00 178.83 177.43 3dab s SER 89 N -6.06 -0.34 0.18 1.46 1.04 -1.26 -1.45 113.70 107.26 3dab s SER 89 Ca 0.03 -0.37 -0.17 0.00 0.48 0.00 0.00 55.95 55.91 3dab s SER 89 Cb 0.07 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.87 3dab s SER 89 CO 0.74 -1.14 0.49 0.72 0.98 0.00 0.00 173.24 175.03 3dab s PHE 90 N -3.75 -0.15 -0.16 5.02 -0.12 -0.56 -4.96 117.98 113.31 3dab s PHE 90 Ca 0.08 -0.18 -0.04 0.00 -0.05 0.00 0.00 56.93 56.74 3dab s PHE 90 Cb -0.04 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 3dab s PHE 90 CO -0.00 -0.86 -0.03 0.45 -0.05 0.00 0.00 175.22 174.73 3dab s SER 91 N -2.85 4.84 0.57 1.98 0.15 -1.26 -1.12 113.70 116.01 3dab s SER 91 Ca 0.07 -0.13 0.38 0.00 0.70 0.00 0.00 55.95 56.97 3dab s SER 91 Cb -0.00 -1.80 1.85 0.00 -1.71 0.00 0.00 66.02 64.36 3dab s SER 91 CO -0.05 0.15 2.13 1.62 1.20 0.00 0.00 173.24 178.29 3dab h VAL 92 N 5.17 0.00 0.00 4.45 3.04 -1.20 -1.06 116.25 126.65 3dab h VAL 92 Ca -0.32 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3dab h VAL 92 Cb 1.19 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 3dab h VAL 92 CO 0.63 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 177.48 3dab n LYS 93 N -2.97 0.19 -3.27 4.17 5.02 -1.26 -3.94 118.16 116.10 3dab n LYS 93 Ca -0.01 0.18 -0.25 0.00 -2.02 0.00 0.00 58.31 56.21 3dab n LYS 93 Cb 0.17 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.37 3dab n LYS 93 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3dab n ASP 94 N -2.07 1.26 0.00 4.39 4.64 -0.42 -5.01 116.55 119.34 3dab n ASP 94 Ca 0.06 -2.91 0.00 0.00 -1.38 0.00 0.00 54.79 50.56 3dab n ASP 94 Cb 0.39 -0.65 0.03 0.00 -1.04 0.00 0.00 41.12 39.85 3dab n ASP 94 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3dab n PRO 95 N 1.28 0.96 -0.29 -0.67 -0.04 -1.12 -4.40 135.00 130.73 3dab n PRO 95 Ca 0.24 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3dab n PRO 95 Cb 0.49 -1.02 0.35 0.00 -0.04 0.00 0.00 33.50 33.28 3dab n PRO 95 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dab h SER 96 N 0.00 0.72 0.74 3.54 4.64 -1.95 0.72 113.55 121.96 3dab h SER 96 Ca 0.00 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3dab h SER 96 Cb 0.00 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3dab h SER 96 CO 0.00 0.37 -0.15 1.55 -0.87 0.00 0.00 176.83 177.73 3dab h PRO 97 N 0.76 0.00 -0.22 4.77 0.13 -1.96 0.33 132.00 135.82 3dab h PRO 97 Ca 0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.55 3dab h PRO 97 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 3dab h PRO 97 CO -0.22 0.15 -0.01 1.25 -0.23 0.00 0.00 178.00 178.94 3dab h LEU 98 N 0.00 0.39 -0.58 1.56 5.85 -1.21 -1.97 115.31 119.35 3dab h LEU 98 Ca -0.00 -0.32 -0.15 0.00 0.84 0.00 0.00 57.88 58.25 3dab h LEU 98 Cb 0.56 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3dab h LEU 98 CO 0.02 0.62 -0.46 1.88 -0.34 0.00 0.00 178.44 180.16 3dab h TYR 99 N 0.14 0.73 -0.27 1.25 -1.99 -0.93 -0.92 116.97 114.99 3dab h TYR 99 Ca 0.06 -0.23 0.06 0.00 2.00 0.00 0.00 58.73 60.62 3dab h TYR 99 Cb 0.43 -0.15 -0.07 0.00 2.00 0.00 0.00 36.73 38.94 3dab h TYR 99 CO 0.04 0.95 -0.20 -0.44 -0.00 0.00 0.00 178.16 178.51 3dab h ASP 100 N 0.49 -0.65 -0.34 3.88 3.32 -0.95 -0.68 116.42 121.48 3dab h ASP 100 Ca 0.03 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3dab h ASP 100 Cb 0.98 0.32 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 3dab h ASP 100 CO 0.09 -0.24 0.19 -0.03 -1.72 0.00 0.00 179.24 177.54 3dab h MET 101 N -0.18 0.48 -0.79 3.56 4.05 -1.02 -2.28 114.93 118.75 3dab h MET 101 Ca 0.15 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3dab h MET 101 Cb 0.41 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.08 3dab h MET 101 CO -0.38 0.39 0.43 -0.07 0.23 0.00 0.00 176.91 177.52 3dab h LEU 102 N 0.44 0.97 -1.25 3.39 3.38 -0.98 -0.28 115.31 120.98 3dab h LEU 102 Ca 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3dab h LEU 102 Cb 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3dab h LEU 102 CO -0.02 0.78 0.09 0.03 0.09 0.00 0.00 178.44 179.41 3dab h ARG 103 N 1.10 0.61 0.00 1.13 3.08 -0.84 -1.65 114.38 117.81 3dab h ARG 103 Ca 0.28 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 3dab h ARG 103 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3dab h ARG 103 CO -0.05 0.56 -0.40 0.87 -1.07 0.00 0.00 179.97 179.88 3dab h LYS 104 N 0.59 0.00 -0.04 0.04 1.57 -0.81 -3.38 116.57 114.54 3dab h LYS 104 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3dab h LYS 104 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3dab h LYS 104 CO -0.00 0.30 0.00 0.09 -0.57 0.00 0.00 179.45 179.27 3dab n ASN 105 N -3.14 1.69 -4.20 0.86 3.02 -0.18 -4.90 115.26 108.41 3dab n ASN 105 Ca 0.02 -1.52 -0.34 0.00 -0.03 0.00 0.00 54.58 52.72 3dab n ASN 105 Cb 0.66 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.65 3dab n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dab s LEU 106 N -0.58 2.39 -0.19 3.41 1.43 -0.64 -0.25 118.68 124.25 3dab s LEU 106 Ca 0.04 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 3dab s LEU 106 Cb 0.03 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3dab s LEU 106 CO 0.04 0.01 0.30 -0.69 0.23 0.00 0.00 176.35 176.24 3dab s VAL 107 N 1.27 5.28 0.38 -1.59 1.01 0.59 -4.85 120.40 122.48 3dab s VAL 107 Ca 0.03 0.53 -0.26 0.00 0.00 0.00 0.00 61.98 62.28 3dab s VAL 107 Cb -0.14 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 3dab s VAL 107 CO -0.08 0.33 1.22 0.42 0.00 0.00 0.00 175.10 176.99 3dab s THR 108 N 0.91 2.97 -2.85 3.92 -4.23 -1.26 -0.62 115.64 114.48 3dab s THR 108 Ca 0.15 0.87 0.25 0.00 -1.18 0.00 0.00 61.69 61.78 3dab s THR 108 Cb -0.14 -3.51 0.30 0.00 1.34 0.00 0.00 72.50 70.49 3dab s THR 108 CO 0.05 0.12 1.41 0.18 -0.54 0.00 0.00 174.62 175.85