#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 3.47 0.52 0.38 -1.52 -1.26 -4.94 119.66 116.31 3dab s GLN 23 Ca 0.00 0.08 0.24 0.00 -1.95 0.00 0.00 55.36 53.73 3dab s GLN 23 Cb 0.00 -4.00 1.41 0.00 -0.22 0.00 0.00 33.01 30.20 3dab s GLN 23 CO 0.00 -1.49 2.10 0.82 -0.25 0.00 0.00 175.29 176.48 3dab h ILE 24 N 6.10 0.74 -0.15 1.08 2.04 -2.00 -0.73 117.51 124.60 3dab h ILE 24 Ca -0.25 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3dab h ILE 24 Cb 1.07 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3dab h ILE 24 CO 1.11 0.10 0.00 0.59 0.00 0.00 0.00 178.15 179.95 3dab n ASN 25 N -3.95 1.85 -3.16 1.72 3.02 -1.26 -0.12 115.26 113.36 3dab n ASN 25 Ca -0.02 -1.70 -0.15 0.00 -0.03 0.00 0.00 54.58 52.67 3dab n ASN 25 Cb 0.19 -0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.22 3dab n ASN 25 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3dab s GLN 26 N -1.82 0.89 0.01 3.52 -0.21 -0.28 -4.28 119.66 117.49 3dab s GLN 26 Ca 0.34 -1.34 0.05 0.00 0.02 0.00 0.00 55.36 54.44 3dab s GLN 26 Cb 0.19 -0.69 -0.03 0.00 1.00 0.00 0.00 33.01 33.47 3dab s GLN 26 CO 0.29 -1.31 -0.14 0.14 -2.12 0.00 0.00 175.29 172.15 3dab s VAL 27 N 0.78 3.08 -0.52 1.09 -7.23 0.57 -4.51 120.40 113.66 3dab s VAL 27 Ca 0.27 -0.97 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 3dab s VAL 27 Cb -0.03 -2.29 0.14 0.00 0.56 0.00 0.00 36.38 34.76 3dab s VAL 27 CO -0.09 0.41 0.34 -0.60 -0.31 0.00 0.00 175.10 174.85 3dab s ARG 28 N -1.27 2.34 0.40 4.82 3.52 -1.26 -1.54 118.95 125.97 3dab s ARG 28 Ca 0.15 -2.15 -0.27 0.00 -0.13 0.00 0.00 55.73 53.32 3dab s ARG 28 Cb -0.11 -3.71 -0.10 0.00 -1.56 0.00 0.00 34.95 29.48 3dab s ARG 28 CO 0.05 -1.14 1.43 -2.14 -0.81 0.00 0.00 175.30 172.69 3dab s PRO 29 N 0.59 3.95 0.89 5.12 0.02 -1.26 -2.54 135.00 141.77 3dab s PRO 29 Ca 0.12 2.44 -0.11 0.00 0.02 0.00 0.00 61.00 63.48 3dab s PRO 29 Cb -0.22 -2.83 0.12 0.00 0.02 0.00 0.00 34.50 31.59 3dab s PRO 29 CO -0.04 -0.61 1.10 0.15 -0.33 0.00 0.00 177.00 177.27 3dab s LYS 30 N -2.22 1.31 0.13 5.54 1.02 0.17 -4.68 119.74 121.01 3dab s LYS 30 Ca 0.56 1.14 -0.26 0.00 0.02 0.00 0.00 55.97 57.43 3dab s LYS 30 Cb -0.44 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 3dab s LYS 30 CO 0.58 -2.30 1.62 1.25 -0.92 0.00 0.00 175.35 175.58 3dab h LEU 31 N -1.61 -0.93 -0.81 3.17 6.46 -1.94 -0.99 115.31 118.67 3dab h LEU 31 Ca -0.47 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.44 3dab h LEU 31 Cb 1.27 0.39 -0.05 0.00 -0.73 0.00 0.00 40.66 41.54 3dab h LEU 31 CO 0.49 -0.36 0.53 1.55 -0.62 0.00 0.00 178.44 180.03 3dab h PRO 32 N -0.42 1.02 -0.48 5.25 0.13 -1.97 -1.49 132.00 134.03 3dab h PRO 32 Ca 0.08 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 3dab h PRO 32 Cb 0.54 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 3dab h PRO 32 CO -0.30 0.67 0.11 1.25 -0.23 0.00 0.00 178.00 179.51 3dab h LEU 33 N 1.05 0.67 -0.61 1.56 5.85 -1.78 -2.99 115.31 119.06 3dab h LEU 33 Ca 0.31 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3dab h LEU 33 Cb -0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3dab h LEU 33 CO -0.09 0.67 0.10 0.25 -0.34 0.00 0.00 178.44 179.03 3dab h LEU 34 N 0.70 0.97 -0.29 2.25 5.85 -0.19 -1.27 115.31 123.33 3dab h LEU 34 Ca 0.16 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3dab h LEU 34 Cb 0.27 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3dab h LEU 34 CO -0.00 0.98 0.05 0.11 -0.34 0.00 0.00 178.44 179.24 3dab h LYS 35 N 0.92 0.15 -0.18 1.25 1.57 -1.29 0.14 116.57 119.13 3dab h LYS 35 Ca 0.19 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 3dab h LYS 35 Cb 0.42 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 3dab h LYS 35 CO 0.01 0.10 -0.17 0.82 -0.57 0.00 0.00 179.45 179.64 3dab h ILE 36 N 0.16 0.54 -0.71 1.86 2.04 -1.33 0.96 117.51 121.02 3dab h ILE 36 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3dab h ILE 36 Cb 0.15 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3dab h ILE 36 CO -0.19 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.35 3dab h LEU 37 N -0.19 0.84 -0.57 1.44 3.38 -0.86 -2.16 115.31 117.18 3dab h LEU 37 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dab h LEU 37 Cb 0.36 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3dab h LEU 37 CO -0.29 0.63 0.36 0.45 0.09 0.00 0.00 178.44 179.68 3dab h HIS 38 N 0.97 0.74 0.00 1.13 3.86 -0.20 -1.15 115.15 120.50 3dab h HIS 38 Ca 0.26 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 3dab h HIS 38 Cb -0.07 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.15 3dab h HIS 38 CO -0.02 0.49 -0.06 0.00 0.86 0.00 0.00 177.93 179.20 3dab h ALA 39 N 1.19 1.65 -0.07 2.45 0.00 -0.21 0.34 119.26 124.62 3dab h ALA 39 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dab h ALA 39 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dab h ALA 39 CO -0.04 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3dab n ALA 40 N -2.42 2.58 0.00 0.00 0.00 -0.86 -4.91 120.51 114.90 3dab n ALA 40 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3dab n ALA 40 Cb 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.01 1.03 3.77 0.00 0.00 0.12 -4.80 105.19 106.33 3dab n GLY 41 Ca 0.17 0.00 -0.38 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 3.13 -0.13 4.61 0.00 -0.49 -4.97 121.76 121.90 3dab s ALA 42 Ca 0.00 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.87 3dab s ALA 42 Cb 0.00 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3dab s ALA 42 CO 0.00 -0.44 -0.19 -0.65 0.00 0.00 0.00 175.76 174.47 3dab s GLN 43 N -2.34 2.75 0.00 0.00 -0.21 -1.26 -4.40 119.66 114.19 3dab s GLN 43 Ca 0.57 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 55.20 3dab s GLN 43 Cb -0.28 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.46 3dab s GLN 43 CO 0.35 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 3dab n GLY 44 N 4.19 -1.59 0.00 3.09 0.00 -1.26 -4.83 105.19 104.80 3dab n GLY 44 Ca -0.20 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.75 3dab n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dab n GLU 45 N 0.00 -0.21 -4.57 1.61 1.02 -1.26 -5.01 120.64 112.21 3dab n GLU 45 Ca 0.00 -0.49 -0.25 0.00 -0.02 0.00 0.00 57.16 56.40 3dab n GLU 45 Cb 0.00 -0.84 -0.17 0.00 -0.02 0.00 0.00 31.44 30.41 3dab n GLU 45 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3dab s MET 46 N -0.12 1.73 0.15 3.49 1.00 -1.26 -4.02 119.30 120.27 3dab s MET 46 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 55.69 55.27 3dab s MET 46 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 34.83 33.35 3dab s MET 46 CO 0.00 0.02 0.05 -0.06 0.00 0.00 0.00 175.02 175.03 3dab s PHE 47 N 0.70 0.97 0.86 -0.03 0.08 -0.59 -4.94 117.98 115.03 3dab s PHE 47 Ca -0.14 -1.20 -0.13 0.00 0.12 0.00 0.00 56.93 55.59 3dab s PHE 47 Cb -0.16 -0.54 0.11 0.00 -0.57 0.00 0.00 43.02 41.87 3dab s PHE 47 CO 0.03 -0.46 1.19 0.95 -0.10 0.00 0.00 175.22 176.83 3dab s THR 48 N -3.97 1.99 0.13 0.64 -4.23 -1.26 -0.32 115.64 108.63 3dab s THR 48 Ca 0.25 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.68 3dab s THR 48 Cb 0.07 -2.92 -0.13 0.00 1.34 0.00 0.00 72.50 70.86 3dab s THR 48 CO 0.03 0.00 1.36 0.58 -0.54 0.00 0.00 174.62 176.06 3dab h VAL 49 N -1.28 1.31 -0.63 2.29 2.07 -0.87 -2.47 116.25 116.67 3dab h VAL 49 Ca -0.47 -2.00 0.13 0.00 0.82 0.00 0.00 66.70 65.18 3dab h VAL 49 Cb 1.32 1.99 -0.12 0.00 -1.52 0.00 0.00 31.29 32.95 3dab h VAL 49 CO 0.61 0.62 -0.16 0.50 0.02 0.00 0.00 177.57 179.16 3dab h LYS 50 N 0.46 -0.00 0.21 1.57 3.11 -1.95 -0.99 116.57 118.98 3dab h LYS 50 Ca -0.04 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 3dab h LYS 50 Cb 1.34 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.58 3dab h LYS 50 CO 0.14 -0.00 -0.10 0.93 -2.81 0.00 0.00 179.45 177.61 3dab h GLU 51 N -0.00 -0.27 -0.64 1.90 5.08 -1.92 -0.49 114.58 118.24 3dab h GLU 51 Ca 0.30 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.79 3dab h GLU 51 Cb 0.46 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 3dab h GLU 51 CO -0.65 -0.15 0.22 0.28 -1.00 0.00 0.00 179.01 177.71 3dab h VAL 52 N -0.32 0.71 -0.29 3.13 2.07 -1.05 -0.94 116.25 119.57 3dab h VAL 52 Ca -0.03 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3dab h VAL 52 Cb 0.25 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3dab h VAL 52 CO 0.05 0.07 -0.01 0.24 0.02 0.00 0.00 177.57 177.94 3dab h MET 53 N 0.38 0.52 -0.08 1.57 2.86 -1.10 -0.99 114.93 118.08 3dab h MET 53 Ca 0.33 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 3dab h MET 53 Cb 0.45 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 3dab h MET 53 CO -0.35 0.68 -0.39 1.25 1.06 0.00 0.00 176.91 179.16 3dab h HIS 54 N 0.30 -1.09 -0.01 -0.22 6.17 -0.36 -1.04 115.15 118.90 3dab h HIS 54 Ca 0.08 0.04 -0.08 0.00 0.71 0.00 0.00 60.37 61.12 3dab h HIS 54 Cb 0.45 0.49 -0.01 0.00 2.52 0.00 0.00 27.41 30.86 3dab h HIS 54 CO 0.04 -0.46 -0.36 1.88 0.71 0.00 0.00 177.93 179.74 3dab h TYR 55 N -0.49 0.03 -0.72 5.26 0.05 -1.18 -1.12 116.97 118.81 3dab h TYR 55 Ca 0.07 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3dab h TYR 55 Cb 0.61 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 3dab h TYR 55 CO -0.43 0.38 0.43 -0.07 -1.05 0.00 0.00 178.16 177.42 3dab h LEU 56 N 0.03 0.87 -0.78 3.88 3.38 -0.80 -0.92 115.31 120.96 3dab h LEU 56 Ca 0.00 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3dab h LEU 56 Cb 0.65 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3dab h LEU 56 CO 0.05 0.68 0.08 1.23 0.09 0.00 0.00 178.44 180.56 3dab h GLY 57 N 0.98 1.08 1.46 0.83 0.00 -0.37 -2.29 103.07 104.76 3dab h GLY 57 Ca 0.26 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 3dab h GLY 57 CO -0.05 0.66 -0.34 1.46 0.00 0.00 0.00 176.54 178.27 3dab h GLN 58 N 0.94 0.61 0.18 4.80 1.08 -0.97 -1.92 115.11 119.83 3dab h GLN 58 Ca 0.19 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3dab h GLN 58 Cb 0.44 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3dab h GLN 58 CO 0.01 0.87 -0.09 -0.92 -0.95 0.00 0.00 178.83 177.75 3dab h TYR 59 N 0.51 -0.23 -0.85 2.96 3.20 -1.01 -0.23 116.97 121.33 3dab h TYR 59 Ca 0.06 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3dab h TYR 59 Cb 0.84 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 3dab h TYR 59 CO 0.04 -0.05 0.51 0.82 -1.64 0.00 0.00 178.16 177.84 3dab h ILE 60 N -0.36 0.98 -0.22 1.81 2.04 -1.39 -1.06 117.51 119.30 3dab h ILE 60 Ca -0.02 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3dab h ILE 60 Cb 0.28 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3dab h ILE 60 CO 0.04 0.16 0.05 -0.03 0.00 0.00 0.00 178.15 178.38 3dab h MET 61 N 0.89 0.35 -0.00 2.37 4.05 -1.27 0.12 114.93 121.45 3dab h MET 61 Ca 0.39 -0.08 -0.14 0.00 -0.28 0.00 0.00 59.70 59.58 3dab h MET 61 Cb 0.27 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 3dab h MET 61 CO -0.21 0.47 -0.67 -0.24 0.23 0.00 0.00 176.91 176.48 3dab h VAL 62 N 0.17 1.48 -0.01 -5.77 3.04 -0.76 -2.23 116.25 112.16 3dab h VAL 62 Ca 0.07 -2.29 0.00 0.00 -1.01 0.00 0.00 66.70 63.47 3dab h VAL 62 Cb 0.27 2.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 3dab h VAL 62 CO 0.00 0.66 -0.05 0.29 -1.01 0.00 0.00 177.57 177.46 3dab n LYS 63 N -3.75 1.48 -3.61 4.17 5.02 -0.42 -4.97 118.16 116.08 3dab n LYS 63 Ca -0.01 -0.84 -0.22 0.00 -2.02 0.00 0.00 58.31 55.22 3dab n LYS 63 Cb 0.66 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 34.23 3dab n LYS 63 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3dab n GLN 64 N -0.03 -3.88 0.05 1.97 1.13 -0.25 -4.91 117.38 111.46 3dab n GLN 64 Ca 0.18 0.64 0.12 0.00 -1.94 0.00 0.00 57.00 56.00 3dab n GLN 64 Cb 0.35 -5.13 0.10 0.00 0.11 0.00 0.00 30.24 25.67 3dab n GLN 64 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3dab n LEU 65 N -4.08 0.66 -4.79 1.08 4.77 -0.13 -4.84 117.00 109.68 3dab n LEU 65 Ca -0.22 0.13 -0.36 0.00 -0.03 0.00 0.00 56.01 55.52 3dab n LEU 65 Cb 0.65 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 3dab n LEU 65 CO 0.66 -0.02 0.72 -0.72 -1.33 0.00 0.00 177.39 176.71 3dab s TYR 66 N -3.19 3.26 0.10 -1.77 -0.85 -1.26 -0.65 117.35 112.98 3dab s TYR 66 Ca 0.05 1.64 -0.31 0.00 -0.52 0.00 0.00 57.07 57.93 3dab s TYR 66 Cb 0.14 -3.10 -0.07 0.00 0.38 0.00 0.00 41.96 39.31 3dab s TYR 66 CO 0.76 -0.59 1.29 0.34 -1.52 0.00 0.00 175.55 175.83 3dab s ASP 67 N -1.65 6.96 0.42 -0.18 2.15 0.02 -4.91 116.67 119.48 3dab s ASP 67 Ca 0.59 2.19 0.14 0.00 0.43 0.00 0.00 52.55 55.90 3dab s ASP 67 Cb -0.20 -2.59 1.00 0.00 -0.30 0.00 0.00 42.92 40.83 3dab s ASP 67 CO 0.26 -0.54 1.93 1.56 -0.17 0.00 0.00 175.17 178.20 3dab h GLN 68 N 6.60 0.45 0.06 4.34 4.20 -1.94 -2.90 115.11 125.91 3dab h GLN 68 Ca -0.42 -0.03 -0.37 0.00 0.06 0.00 0.00 58.65 57.89 3dab h GLN 68 Cb 1.21 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 3dab h GLN 68 CO 0.83 0.30 -2.16 1.04 -0.67 0.00 0.00 178.83 178.17 3dab n GLN 69 N -4.48 0.68 -3.80 1.46 1.13 -1.26 -4.62 117.38 106.50 3dab n GLN 69 Ca 0.13 0.25 -0.32 0.00 -1.94 0.00 0.00 57.00 55.12 3dab n GLN 69 Cb 0.47 -1.62 -0.10 0.00 0.11 0.00 0.00 30.24 29.10 3dab n GLN 69 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3dab s GLU 70 N -2.52 2.63 0.00 -1.09 0.41 -1.17 -4.97 118.70 112.00 3dab s GLU 70 Ca -0.29 -3.03 0.24 0.00 -0.41 0.00 0.00 54.97 51.48 3dab s GLU 70 Cb 0.08 -3.62 1.24 0.00 -1.78 0.00 0.00 34.13 30.05 3dab s GLU 70 CO 0.66 -1.22 1.80 1.04 -0.49 0.00 0.00 175.26 177.05 3dab n GLN 71 N 2.59 0.39 0.10 1.61 6.02 -1.10 -1.33 117.38 125.65 3dab n GLN 71 Ca 0.15 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.32 3dab n GLN 71 Cb 0.36 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.53 3dab n GLN 71 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3dab n HIS 72 N -1.26 0.89 -3.32 1.08 1.44 -1.26 -4.66 115.22 108.13 3dab n HIS 72 Ca 0.12 0.26 -0.38 0.00 -2.01 0.00 0.00 57.72 55.71 3dab n HIS 72 Cb 0.18 -0.92 -0.06 0.00 0.12 0.00 0.00 29.99 29.30 3dab n HIS 72 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3dab s MET 73 N -3.10 4.27 -0.20 -1.40 -1.94 -0.44 -0.21 119.30 116.27 3dab s MET 73 Ca 0.11 0.38 -0.05 0.00 -1.71 0.00 0.00 55.69 54.42 3dab s MET 73 Cb 0.13 -3.48 -0.02 0.00 2.01 0.00 0.00 34.83 33.46 3dab s MET 73 CO 0.59 0.05 0.00 0.08 -0.01 0.00 0.00 175.02 175.74 3dab s VAL 74 N 0.99 3.95 -0.31 -6.03 1.01 0.34 -0.80 120.40 119.55 3dab s VAL 74 Ca 0.24 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 3dab s VAL 74 Cb -0.15 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3dab s VAL 74 CO 0.09 0.42 0.08 -0.31 0.00 0.00 0.00 175.10 175.38 3dab s TYR 75 N 1.06 3.19 -0.03 5.22 1.51 0.17 -1.10 117.35 127.37 3dab s TYR 75 Ca 0.02 -1.24 0.05 0.00 -1.01 0.00 0.00 57.07 54.88 3dab s TYR 75 Cb -0.14 -2.25 0.07 0.00 -0.11 0.00 0.00 41.96 39.53 3dab s TYR 75 CO 0.02 -0.66 0.91 0.00 -1.11 0.00 0.00 175.55 174.70 3dab s GLY 77 N -1.20 2.43 0.00 0.00 0.00 -0.97 -1.92 107.32 105.66 3dab s GLY 77 Ca 0.08 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.18 3dab s GLY 77 CO 0.01 2.28 0.00 0.61 0.00 0.00 0.00 173.10 176.00 3dab n GLY 78 N 1.86 1.25 3.94 0.20 0.00 -1.26 -4.99 105.19 106.18 3dab n GLY 78 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.08 6.35 0.40 1.61 2.15 -0.81 -5.01 116.67 118.28 3dab s ASP 79 Ca 0.00 0.21 0.14 0.00 0.43 0.00 0.00 52.55 53.33 3dab s ASP 79 Cb 0.00 -1.93 0.98 0.00 -0.30 0.00 0.00 42.92 41.67 3dab s ASP 79 CO 0.00 0.02 1.90 0.25 -0.17 0.00 0.00 175.17 177.17 3dab h LEU 80 N 2.03 0.47 -0.88 -1.34 5.85 -1.96 -1.69 115.31 117.80 3dab h LEU 80 Ca -0.49 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.27 3dab h LEU 80 Cb 1.20 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 3dab h LEU 80 CO 0.68 0.24 0.58 0.25 -0.34 0.00 0.00 178.44 179.85 3dab h LEU 81 N 0.50 1.01 -0.49 2.25 5.85 -1.95 -0.93 115.31 121.56 3dab h LEU 81 Ca 0.40 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.04 3dab h LEU 81 Cb 0.84 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3dab h LEU 81 CO -0.15 0.74 0.09 1.23 -0.34 0.00 0.00 178.44 180.01 3dab h GLY 82 N 1.19 0.85 0.63 3.75 0.00 -1.08 -1.30 103.07 107.12 3dab h GLY 82 Ca 0.32 -0.56 0.05 0.00 0.00 0.00 0.00 47.33 47.14 3dab h GLY 82 CO -0.07 0.52 0.10 -2.09 0.00 0.00 0.00 176.54 175.00 3dab h GLU 83 N 0.67 0.23 -0.52 4.80 4.81 -1.08 0.21 114.58 123.70 3dab h GLU 83 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3dab h GLU 83 Cb 0.37 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3dab h GLU 83 CO 0.01 0.16 0.33 -0.07 -0.73 0.00 0.00 179.01 178.70 3dab h LEU 84 N 0.24 0.62 -1.11 1.64 3.38 -0.96 -2.66 115.31 116.47 3dab h LEU 84 Ca 0.17 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3dab h LEU 84 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3dab h LEU 84 CO -0.20 0.47 -0.21 -0.07 0.09 0.00 0.00 178.44 178.53 3dab h LEU 85 N 0.70 0.00 0.73 1.67 3.38 -1.00 -3.46 115.31 117.33 3dab h LEU 85 Ca 0.19 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.85 3dab h LEU 85 Cb -0.04 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.75 3dab h LEU 85 CO -0.04 0.21 -0.45 0.61 0.09 0.00 0.00 178.44 178.86 3dab n GLY 86 N 0.17 -0.22 3.17 0.83 0.00 0.69 -4.93 105.19 104.89 3dab n GLY 86 Ca 0.00 -0.11 -0.09 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 -5.36 0.74 0.19 1.61 0.52 -0.85 -5.04 118.95 110.76 3dab s ARG 87 Ca 0.21 -0.95 0.20 0.00 -0.52 0.00 0.00 55.73 54.68 3dab s ARG 87 Cb -0.09 0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.67 3dab s ARG 87 CO 0.26 -0.21 1.07 1.96 0.02 0.00 0.00 175.30 178.40 3dab h GLN 88 N 3.05 0.00 -3.27 3.54 1.08 -1.91 -3.39 115.11 114.20 3dab h GLN 88 Ca -0.34 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.83 3dab h GLN 88 Cb 1.18 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.49 3dab h GLN 88 CO 0.56 0.14 0.02 -1.54 -0.95 0.00 0.00 178.83 177.07 3dab s SER 89 N -5.69 -0.33 0.14 1.46 1.04 -1.26 -0.55 113.70 108.51 3dab s SER 89 Ca -0.00 -0.27 -0.18 0.00 0.48 0.00 0.00 55.95 55.98 3dab s SER 89 Cb 0.09 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.78 3dab s SER 89 CO 0.78 -0.92 0.47 0.72 0.98 0.00 0.00 173.24 175.26 3dab s PHE 90 N -3.80 -0.30 -0.18 5.02 -0.12 -0.26 -4.98 117.98 113.36 3dab s PHE 90 Ca 0.04 0.01 -0.06 0.00 -0.05 0.00 0.00 56.93 56.86 3dab s PHE 90 Cb 0.01 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 3dab s PHE 90 CO -0.11 -0.76 0.04 0.45 -0.05 0.00 0.00 175.22 174.79 3dab s SER 91 N -2.79 5.37 0.46 1.98 0.15 -1.26 -0.50 113.70 117.11 3dab s SER 91 Ca 0.03 0.00 0.31 0.00 0.70 0.00 0.00 55.95 56.99 3dab s SER 91 Cb 0.01 -1.91 1.39 0.00 -1.71 0.00 0.00 66.02 63.80 3dab s SER 91 CO -0.12 0.16 1.94 1.62 1.20 0.00 0.00 173.24 178.04 3dab h VAL 92 N 4.99 0.00 0.00 4.45 3.04 -0.96 -2.13 116.25 125.64 3dab h VAL 92 Ca -0.35 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3dab h VAL 92 Cb 1.17 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3dab h VAL 92 CO 0.67 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 177.34 3dab h LYS 93 N 0.00 0.00 -2.08 4.17 1.57 -1.94 -3.36 116.57 114.92 3dab h LYS 93 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3dab h LYS 93 Cb 0.36 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.26 3dab h LYS 93 CO 0.00 0.00 -0.96 -3.47 -0.57 0.00 0.00 179.45 174.45 3dab n ASP 94 N -2.75 1.76 -0.30 0.86 -0.08 -0.81 -5.03 116.55 110.20 3dab n ASP 94 Ca 0.04 -3.09 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 3dab n ASP 94 Cb 0.47 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.30 3dab n ASP 94 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3dab n PRO 95 N 0.72 0.93 -0.22 -0.67 -0.04 -1.15 -4.47 135.00 130.10 3dab n PRO 95 Ca 0.25 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 3dab n PRO 95 Cb 0.52 -1.28 0.14 0.00 -0.04 0.00 0.00 33.50 32.84 3dab n PRO 95 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3dab h SER 96 N 0.04 0.01 0.30 3.54 0.02 -1.96 -1.37 113.55 114.13 3dab h SER 96 Ca 0.00 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3dab h SER 96 Cb 0.28 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 3dab h SER 96 CO 0.00 -0.00 -0.13 -0.65 -1.14 0.00 0.00 176.83 174.90 3dab h PRO 97 N 0.27 0.00 -0.22 3.45 0.11 -1.96 -0.23 132.00 133.42 3dab h PRO 97 Ca 0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 3dab h PRO 97 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3dab h PRO 97 CO -0.44 0.13 -0.06 1.25 -0.21 0.00 0.00 178.00 178.67 3dab h LEU 98 N 0.00 0.43 -0.77 2.35 5.85 -1.61 -2.30 115.31 119.27 3dab h LEU 98 Ca -0.00 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 3dab h LEU 98 Cb 0.32 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3dab h LEU 98 CO 0.02 0.71 -0.32 1.88 -0.34 0.00 0.00 178.44 180.38 3dab h TYR 99 N 0.15 0.65 -0.46 1.25 -1.99 -1.15 -0.66 116.97 114.77 3dab h TYR 99 Ca 0.05 -0.17 0.06 0.00 2.00 0.00 0.00 58.73 60.68 3dab h TYR 99 Cb 0.52 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 39.05 3dab h TYR 99 CO 0.05 0.82 0.17 -0.44 -0.00 0.00 0.00 178.16 178.76 3dab h ASP 100 N 0.48 0.18 -0.36 3.88 3.32 -1.05 -0.34 116.42 122.53 3dab h ASP 100 Ca 0.06 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3dab h ASP 100 Cb 0.80 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3dab h ASP 100 CO 0.07 0.14 0.14 -0.03 -1.72 0.00 0.00 179.24 177.84 3dab h MET 101 N 0.35 0.54 -0.79 3.56 4.05 -1.05 -2.93 114.93 118.67 3dab h MET 101 Ca 0.22 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 3dab h MET 101 Cb 0.21 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 3dab h MET 101 CO -0.22 0.52 0.33 -0.07 0.23 0.00 0.00 176.91 177.70 3dab h LEU 102 N 0.44 1.07 -1.03 3.39 3.38 -0.81 -0.49 115.31 121.25 3dab h LEU 102 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3dab h LEU 102 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3dab h LEU 102 CO -0.01 0.94 0.31 0.03 0.09 0.00 0.00 178.44 179.80 3dab h ARG 103 N 1.14 1.00 0.00 1.13 3.08 -1.04 -0.16 114.38 119.52 3dab h ARG 103 Ca 0.26 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3dab h ARG 103 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3dab h ARG 103 CO -0.02 0.79 -0.27 0.87 -1.07 0.00 0.00 179.97 180.27 3dab h LYS 104 N 0.99 0.00 -0.15 0.04 1.57 -1.26 -3.35 116.57 114.40 3dab h LYS 104 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3dab h LYS 104 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3dab h LYS 104 CO -0.03 0.27 0.00 0.09 -0.57 0.00 0.00 179.45 179.21 3dab n ASN 105 N -3.28 2.26 -4.13 0.86 3.02 -0.23 -4.67 115.26 109.10 3dab n ASN 105 Ca 0.01 -1.78 -0.38 0.00 -0.03 0.00 0.00 54.58 52.41 3dab n ASN 105 Cb 0.54 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.87 5.56 0.00 3.41 1.43 -0.12 0.46 118.68 128.55 3dab s LEU 106 Ca 0.12 -3.18 0.08 0.00 -1.03 0.00 0.00 54.13 50.12 3dab s LEU 106 Cb 0.07 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.43 3dab s LEU 106 CO 0.09 -0.32 0.76 0.52 0.23 0.00 0.00 176.35 177.64