#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbx s LEU 22 N 0.00 1.77 0.02 0.00 1.43 -1.26 -5.12 118.68 115.53 1mbx s LEU 22 Ca 0.00 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1mbx s LEU 22 Cb 0.00 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 1mbx s LEU 22 CO 0.00 -0.02 -0.12 -0.54 0.23 0.00 0.00 176.35 175.90 1mbx s LYS 23 N 1.27 0.86 1.01 1.70 1.02 -1.26 -5.13 119.74 119.21 1mbx s LYS 23 Ca 0.01 -0.63 -0.13 0.00 0.02 0.00 0.00 55.97 55.24 1mbx s LYS 23 Cb -0.14 -0.83 0.11 0.00 -0.52 0.00 0.00 37.83 36.45 1mbx s LYS 23 CO -0.08 0.21 0.57 -2.30 -0.92 0.00 0.00 175.35 172.83 1mbx n PRO 24 N 2.17 -0.91 -2.71 -1.68 -0.02 -1.26 -4.94 135.00 125.64 1mbx n PRO 24 Ca -0.17 -0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 60.78 1mbx n PRO 24 Cb 0.55 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 1mbx n PRO 24 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mbx s PRO 25 N -3.92 3.86 0.52 0.52 0.04 -1.26 -5.04 135.00 129.72 1mbx s PRO 25 Ca 0.60 0.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 1mbx s PRO 25 Cb -0.20 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 32.05 1mbx s PRO 25 CO 0.65 -0.10 0.76 -1.54 0.04 0.00 0.00 177.00 176.80 1mbx s SER 26 N -3.04 5.58 0.60 6.66 1.04 -1.26 -4.94 113.70 118.34 1mbx s SER 26 Ca 0.54 0.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.12 1mbx s SER 26 Cb -0.10 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.62 1mbx s SER 26 CO 0.30 -0.93 1.03 -0.04 0.98 0.00 0.00 173.24 174.58 1mbx s MET 27 N -4.72 3.44 0.01 4.02 -1.94 -1.26 -3.18 119.30 115.66 1mbx s MET 27 Ca 0.52 0.99 0.02 0.00 -1.71 0.00 0.00 55.69 55.51 1mbx s MET 27 Cb -0.10 -2.06 -0.01 0.00 2.01 0.00 0.00 34.83 34.67 1mbx s MET 27 CO 0.40 -0.70 -0.07 0.71 -0.01 0.00 0.00 175.02 175.35 1mbx s TYR 28 N -2.79 0.61 0.23 -0.03 1.51 0.19 -1.39 117.35 115.69 1mbx s TYR 28 Ca 0.59 -0.19 -0.19 0.00 -1.01 0.00 0.00 57.07 56.27 1mbx s TYR 28 Cb -0.13 -0.39 -0.08 0.00 -0.11 0.00 0.00 41.96 41.25 1mbx s TYR 28 CO 0.43 -0.02 0.73 0.15 -1.11 0.00 0.00 175.55 175.73 1mbx s LYS 29 N -0.46 4.22 -0.17 -0.62 1.02 0.92 -1.14 119.74 123.52 1mbx s LYS 29 Ca 0.00 0.85 -0.03 0.00 0.02 0.00 0.00 55.97 56.81 1mbx s LYS 29 Cb -0.04 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1mbx s LYS 29 CO -0.00 0.37 -0.06 0.08 -0.92 0.00 0.00 175.35 174.82 1mbx s VAL 30 N -1.57 3.57 0.02 3.17 1.01 0.14 -1.48 120.40 125.26 1mbx s VAL 30 Ca 0.44 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 62.05 1mbx s VAL 30 Cb -0.16 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1mbx s VAL 30 CO 0.21 0.48 -0.26 -0.63 0.00 0.00 0.00 175.10 174.90 1mbx s ILE 31 N 0.65 2.09 -0.19 2.22 1.01 0.20 0.05 121.20 127.24 1mbx s ILE 31 Ca -0.03 -1.28 -0.06 0.00 0.00 0.00 0.00 60.65 59.27 1mbx s ILE 31 Cb -0.15 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1mbx s ILE 31 CO 0.02 0.43 0.03 -0.22 0.00 0.00 0.00 174.94 175.21 1mbx s LEU 32 N -1.02 3.59 -0.03 2.97 2.96 -0.24 -0.43 118.68 126.48 1mbx s LEU 32 Ca 0.11 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1mbx s LEU 32 Cb -0.10 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1mbx s LEU 32 CO 0.01 0.14 0.09 -0.69 -1.32 0.00 0.00 176.35 174.57 1mbx s VAL 33 N 0.58 4.82 0.53 1.68 1.01 -0.68 -1.57 120.40 126.77 1mbx s VAL 33 Ca 0.01 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 1mbx s VAL 33 Cb -0.13 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 1mbx s VAL 33 CO 0.02 0.41 1.04 0.21 0.00 0.00 0.00 175.10 176.78 1mbx s ASN 34 N -1.56 6.17 0.20 3.32 2.47 -0.42 -4.35 114.94 120.77 1mbx s ASN 34 Ca 0.21 1.83 -0.14 0.00 0.42 0.00 0.00 52.86 55.18 1mbx s ASN 34 Cb -0.12 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.15 1mbx s ASN 34 CO 0.12 -0.90 0.44 1.51 -3.72 0.00 0.00 177.10 174.55 1mbx s ASP 35 N -2.45 -0.12 0.00 -4.21 1.47 -1.26 -4.96 116.67 105.14 1mbx s ASP 35 Ca 0.65 -0.72 0.27 0.00 1.18 0.00 0.00 52.55 53.92 1mbx s ASP 35 Cb -0.15 0.54 0.82 0.00 -0.34 0.00 0.00 42.92 43.78 1mbx s ASP 35 CO 0.28 -1.03 1.61 0.47 0.68 0.00 0.00 175.17 177.18 1mbx n ASP 36 N -0.31 1.53 -0.10 2.11 8.00 -1.26 -4.47 116.55 122.04 1mbx n ASP 36 Ca -0.07 -1.36 -0.18 0.00 0.71 0.00 0.00 54.79 53.90 1mbx n ASP 36 Cb 0.62 0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.71 1mbx n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1mbx n TYR 37 N 0.02 0.00 -1.69 1.24 4.02 -1.26 -4.98 117.16 114.50 1mbx n TYR 37 Ca 0.16 0.00 -0.52 0.00 -0.01 0.00 0.00 57.90 57.53 1mbx n TYR 37 Cb 0.38 -0.76 -0.06 0.00 -0.02 0.00 0.00 39.34 38.89 1mbx n TYR 37 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1mbx n THR 38 N -3.47 0.44 -1.61 -0.72 -1.04 -1.26 -4.92 114.28 101.71 1mbx n THR 38 Ca -0.38 -0.08 -0.35 0.00 -2.04 0.00 0.00 64.05 61.20 1mbx n THR 38 Cb 0.84 -1.58 0.08 0.00 -1.82 0.00 0.00 70.33 67.85 1mbx n THR 38 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1mbx s PRO 39 N 3.69 2.39 0.13 -2.82 0.02 -1.26 -4.89 135.00 132.26 1mbx s PRO 39 Ca 0.94 1.82 -0.21 0.00 0.02 0.00 0.00 61.00 63.58 1mbx s PRO 39 Cb -0.85 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.79 1mbx s PRO 39 CO 0.57 -1.66 1.69 1.98 -0.33 0.00 0.00 177.00 179.25 1mbx h MET 40 N 0.09 -0.05 0.00 5.54 1.85 -2.01 -2.01 114.93 118.34 1mbx h MET 40 Ca -0.49 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.59 1mbx h MET 40 Cb 1.30 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 33.34 1mbx h MET 40 CO 0.51 -0.04 -0.09 1.05 -0.40 0.00 0.00 176.91 177.95 1mbx h GLU 41 N -0.06 0.00 -0.29 0.39 4.11 -1.99 -2.04 114.58 114.69 1mbx h GLU 41 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.40 1mbx h GLU 41 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1mbx h GLU 41 CO -0.22 0.09 -0.35 0.35 0.07 0.00 0.00 179.01 178.95 1mbx h PHE 42 N 0.00 0.77 -0.35 2.06 3.57 -1.73 0.12 116.94 121.39 1mbx h PHE 42 Ca -0.00 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.24 1mbx h PHE 42 Cb 0.18 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1mbx h PHE 42 CO 0.00 0.92 0.02 0.28 -2.23 0.00 0.00 178.31 177.30 1mbx h VAL 43 N 0.55 1.25 -0.60 1.41 2.07 -1.21 -0.00 116.25 119.73 1mbx h VAL 43 Ca 0.06 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1mbx h VAL 43 Cb 0.87 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1mbx h VAL 43 CO 0.07 0.31 0.20 0.40 0.02 0.00 0.00 177.57 178.58 1mbx h ILE 44 N 0.42 1.24 0.02 4.57 2.04 -1.23 -1.76 117.51 122.81 1mbx h ILE 44 Ca 0.10 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.19 1mbx h ILE 44 Cb 0.42 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1mbx h ILE 44 CO 0.01 0.30 -0.18 -0.78 0.00 0.00 0.00 178.15 177.50 1mbx h ASP 45 N 0.84 -0.53 -0.53 1.72 3.58 -0.47 -0.87 116.42 120.16 1mbx h ASP 45 Ca 0.19 0.07 0.07 0.00 0.42 0.00 0.00 57.03 57.79 1mbx h ASP 45 Cb 0.26 0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 1mbx h ASP 45 CO -0.01 -0.25 0.20 0.58 -2.88 0.00 0.00 179.24 176.88 1mbx h VAL 46 N -0.31 0.83 -0.34 2.25 2.07 -0.78 0.17 116.25 120.14 1mbx h VAL 46 Ca 0.05 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1mbx h VAL 46 Cb 0.37 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1mbx h VAL 46 CO -0.16 0.07 -0.05 -0.07 0.02 0.00 0.00 177.57 177.38 1mbx h LEU 47 N 0.39 0.53 -0.00 2.57 3.38 -0.96 -0.02 115.31 121.20 1mbx h LEU 47 Ca 0.26 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1mbx h LEU 47 Cb 0.27 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1mbx h LEU 47 CO -0.25 0.63 -0.20 1.56 0.09 0.00 0.00 178.44 180.28 1mbx h GLN 48 N 0.52 0.14 -0.45 1.13 4.20 -0.30 -2.59 115.11 117.77 1mbx h GLN 48 Ca 0.11 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1mbx h GLN 48 Cb 0.41 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1mbx h GLN 48 CO 0.02 0.88 -0.26 -0.22 -0.67 0.00 0.00 178.83 178.58 1mbx h LYS 49 N -0.54 0.95 0.00 1.46 3.64 -0.62 -2.31 116.57 119.15 1mbx h LYS 49 Ca -0.02 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1mbx h LYS 49 Cb 0.95 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1mbx h LYS 49 CO 0.04 1.09 -0.91 1.19 -2.27 0.00 0.00 179.45 178.59 1mbx n PHE 50 N -4.09 0.00 -0.41 1.91 3.72 -0.03 -4.52 117.46 114.04 1mbx n PHE 50 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1mbx n PHE 50 Cb 0.48 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1mbx n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1mbx n PHE 51 N -1.48 0.00 -2.20 1.38 3.72 -1.00 -5.03 117.46 112.84 1mbx n PHE 51 Ca 0.02 -0.09 -0.20 0.00 -0.05 0.00 0.00 57.45 57.13 1mbx n PHE 51 Cb 0.28 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1mbx n PHE 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1mbx n SER 52 N -0.09 -5.63 -4.83 4.37 7.64 -0.87 -4.95 113.62 109.25 1mbx n SER 52 Ca 0.00 0.09 -0.32 0.00 1.01 0.00 0.00 58.87 59.65 1mbx n SER 52 Cb 0.18 -4.71 -0.03 0.00 -1.01 0.00 0.00 64.21 58.64 1mbx n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mbx s TYR 53 N -2.94 3.36 0.77 1.43 2.02 -1.07 -4.99 117.35 115.93 1mbx s TYR 53 Ca 0.00 1.50 -0.10 0.00 -0.37 0.00 0.00 57.07 58.10 1mbx s TYR 53 Cb 0.00 -2.84 0.07 0.00 -0.40 0.00 0.00 41.96 38.79 1mbx s TYR 53 CO 0.00 -0.43 1.12 0.16 -1.57 0.00 0.00 175.55 174.83 1mbx s ASP 54 N -2.85 4.63 0.28 2.29 1.47 -1.26 -4.42 116.67 116.80 1mbx s ASP 54 Ca 0.60 0.68 0.00 0.00 1.18 0.00 0.00 52.55 55.02 1mbx s ASP 54 Cb -0.11 -1.23 0.54 0.00 -0.34 0.00 0.00 42.92 41.78 1mbx s ASP 54 CO 0.28 -1.79 1.82 0.58 0.68 0.00 0.00 175.17 176.74 1mbx h VAL 55 N -0.90 0.89 0.29 2.11 2.07 -1.97 -0.63 116.25 118.12 1mbx h VAL 55 Ca -0.45 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1mbx h VAL 55 Cb 1.32 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1mbx h VAL 55 CO 0.64 0.17 -0.14 -0.33 0.02 0.00 0.00 177.57 177.93 1mbx h GLU 56 N 0.93 -0.37 -0.23 1.57 3.07 -1.99 -0.58 114.58 116.97 1mbx h GLU 56 Ca 0.48 0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.27 1mbx h GLU 56 Cb 0.50 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1mbx h GLU 56 CO -0.28 -0.18 -0.27 -0.09 -1.40 0.00 0.00 179.01 176.79 1mbx h ARG 57 N -0.49 0.45 -0.56 2.33 9.65 -1.90 -1.20 114.38 122.66 1mbx h ARG 57 Ca -0.04 -0.18 -0.05 0.00 -1.10 0.00 0.00 59.98 58.62 1mbx h ARG 57 Cb 0.36 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1mbx h ARG 57 CO 0.07 0.69 0.16 0.00 2.80 0.00 0.00 179.97 183.68 1mbx h ALA 58 N 1.31 0.73 -0.56 2.80 0.00 -0.93 -0.92 119.26 121.70 1mbx h ALA 58 Ca 0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1mbx h ALA 58 Cb 0.69 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1mbx h ALA 58 CO 0.05 0.41 0.16 1.15 0.00 0.00 0.00 179.25 181.03 1mbx h THR 59 N 0.79 1.24 -0.19 0.00 2.02 -0.77 0.84 112.91 116.84 1mbx h THR 59 Ca 0.18 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1mbx h THR 59 Cb 0.31 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1mbx h THR 59 CO -0.00 0.31 0.09 1.56 0.37 0.00 0.00 175.52 177.85 1mbx h GLN 60 N 0.79 0.26 -0.64 6.66 4.20 -0.99 -1.36 115.11 124.03 1mbx h GLN 60 Ca 0.18 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1mbx h GLN 60 Cb 0.30 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1mbx h GLN 60 CO -0.00 0.28 0.38 -0.07 -0.67 0.00 0.00 178.83 178.75 1mbx h LEU 61 N 0.18 0.77 -0.96 1.46 -0.00 -0.95 -0.96 115.31 114.85 1mbx h LEU 61 Ca 0.06 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1mbx h LEU 61 Cb 0.10 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.53 1mbx h LEU 61 CO -0.01 0.60 0.48 -0.03 -0.00 0.00 0.00 178.44 179.48 1mbx h MET 62 N 0.89 1.21 -0.15 1.13 4.05 -0.38 -0.00 114.93 121.67 1mbx h MET 62 Ca 0.23 -0.14 -0.13 0.00 -0.28 0.00 0.00 59.70 59.38 1mbx h MET 62 Cb -0.02 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.53 1mbx h MET 62 CO -0.04 0.88 -0.48 -0.07 0.23 0.00 0.00 176.91 177.43 1mbx h LEU 63 N 1.21 0.42 -0.57 3.39 3.38 -0.16 -1.85 115.31 121.14 1mbx h LEU 63 Ca 0.31 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1mbx h LEU 63 Cb 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1mbx h LEU 63 CO -0.05 0.83 -0.14 0.00 0.09 0.00 0.00 178.44 179.17 1mbx h ALA 64 N 1.18 0.77 -0.56 1.53 0.00 -0.59 0.51 119.26 122.09 1mbx h ALA 64 Ca 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1mbx h ALA 64 Cb 0.96 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1mbx h ALA 64 CO 0.08 0.67 0.36 0.28 0.00 0.00 0.00 179.25 180.64 1mbx h VAL 65 N 0.88 1.11 -0.25 0.00 2.07 -0.67 0.30 116.25 119.69 1mbx h VAL 65 Ca 0.13 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1mbx h VAL 65 Cb 0.71 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1mbx h VAL 65 CO 0.05 0.13 0.12 -0.74 0.02 0.00 0.00 177.57 177.16 1mbx h HIS 66 N 0.73 0.36 0.22 1.57 6.17 -0.87 -0.55 115.15 122.78 1mbx h HIS 66 Ca 0.21 -0.02 -0.34 0.00 0.71 0.00 0.00 60.37 60.94 1mbx h HIS 66 Cb -0.05 -0.11 0.02 0.00 2.52 0.00 0.00 27.41 29.80 1mbx h HIS 66 CO -0.04 0.34 -1.56 1.88 0.71 0.00 0.00 177.93 179.26 1mbx h TYR 67 N 0.27 0.84 0.00 5.26 0.05 -0.74 -3.36 116.97 119.29 1mbx h TYR 67 Ca 0.09 -0.61 0.00 0.00 0.05 0.00 0.00 58.73 58.25 1mbx h TYR 67 Cb 0.12 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1mbx h TYR 67 CO -0.02 1.57 -0.68 1.04 -1.05 0.00 0.00 178.16 179.03 1mbx n GLN 68 N -3.65 0.05 0.00 4.88 6.02 0.10 -4.94 117.38 119.84 1mbx n GLN 68 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1mbx n GLN 68 Cb 1.09 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.83 1mbx n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mbx n GLY 69 N 1.48 2.46 3.65 1.08 0.00 -0.22 -4.97 105.19 108.66 1mbx n GLY 69 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1mbx n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mbx s LYS 70 N -0.55 0.81 -0.10 1.61 -2.85 -1.19 -1.30 119.74 116.17 1mbx s LYS 70 Ca 0.00 -0.41 -0.28 0.00 -1.00 0.00 0.00 55.97 54.28 1mbx s LYS 70 Cb 0.00 0.30 0.07 0.00 -2.06 0.00 0.00 37.83 36.14 1mbx s LYS 70 CO 0.00 -0.37 0.66 0.00 0.10 0.00 0.00 175.35 175.74 1mbx s ALA 71 N -2.93 -1.68 -0.13 0.59 0.00 -0.61 -4.29 121.76 112.71 1mbx s ALA 71 Ca 0.11 1.41 -0.26 0.00 0.00 0.00 0.00 51.96 53.21 1mbx s ALA 71 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1mbx s ALA 71 CO -0.02 -0.35 0.86 0.42 0.00 0.00 0.00 175.76 176.67 1mbx s ILE 72 N -0.81 4.88 -0.15 0.00 1.01 -1.26 -1.07 121.20 123.80 1mbx s ILE 72 Ca -0.08 1.73 0.22 0.00 0.00 0.00 0.00 60.65 62.51 1mbx s ILE 72 Cb -0.02 -4.18 -0.15 0.00 0.01 0.00 0.00 42.46 38.13 1mbx s ILE 72 CO 0.07 0.06 0.77 0.00 0.00 0.00 0.00 174.94 175.84 1mbx n GLY 74 N 1.25 0.54 3.04 0.00 0.00 -1.23 -4.99 105.19 103.80 1mbx n GLY 74 Ca -0.04 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 1mbx n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mbx s VAL 75 N -2.00 1.32 0.24 1.61 1.01 -1.26 -0.68 120.40 120.64 1mbx s VAL 75 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1mbx s VAL 75 Cb 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1mbx s VAL 75 CO 0.00 0.40 0.20 -0.36 0.00 0.00 0.00 175.10 175.34 1mbx s PHE 76 N 0.84 1.27 0.85 5.22 0.08 -0.29 -4.94 117.98 121.01 1mbx s PHE 76 Ca -0.10 -1.42 -0.11 0.00 0.12 0.00 0.00 56.93 55.42 1mbx s PHE 76 Cb -0.15 -0.55 0.10 0.00 -0.57 0.00 0.00 43.02 41.85 1mbx s PHE 76 CO 0.01 -0.73 1.14 0.95 -0.10 0.00 0.00 175.22 176.49 1mbx s THR 77 N -3.93 2.43 0.20 0.64 -4.23 -1.26 0.54 115.64 110.02 1mbx s THR 77 Ca 0.38 0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.94 1mbx s THR 77 Cb 0.05 -2.38 0.12 0.00 1.34 0.00 0.00 72.50 71.63 1mbx s THR 77 CO 0.16 -0.17 1.75 0.00 -0.54 0.00 0.00 174.62 175.82 1mbx h ALA 78 N -1.41 0.70 -0.22 3.99 0.00 -1.87 0.14 119.26 120.61 1mbx h ALA 78 Ca -0.44 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1mbx h ALA 78 Cb 1.26 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1mbx h ALA 78 CO 0.45 -0.19 0.09 1.49 0.00 0.00 0.00 179.25 181.10 1mbx h GLU 79 N 0.40 0.20 -0.28 0.00 4.81 -1.90 -0.41 114.58 117.39 1mbx h GLU 79 Ca 0.27 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.31 1mbx h GLU 79 Cb 0.30 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1mbx h GLU 79 CO -0.27 0.13 -0.53 0.28 -0.73 0.00 0.00 179.01 177.90 1mbx h VAL 80 N 0.21 1.28 -0.34 0.32 2.07 -1.84 -2.91 116.25 115.04 1mbx h VAL 80 Ca 0.09 -1.71 0.04 0.00 0.82 0.00 0.00 66.70 65.94 1mbx h VAL 80 Cb 0.04 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1mbx h VAL 80 CO -0.08 0.56 0.13 0.00 0.02 0.00 0.00 177.57 178.20 1mbx h ALA 81 N 0.67 0.40 -0.94 1.67 0.00 -0.60 -0.44 119.26 120.03 1mbx h ALA 81 Ca 0.01 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1mbx h ALA 81 Cb 1.14 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1mbx h ALA 81 CO 0.12 -0.27 0.62 1.49 0.00 0.00 0.00 179.25 181.21 1mbx h GLU 82 N 0.27 1.11 -0.19 0.00 4.81 -1.07 -0.96 114.58 118.56 1mbx h GLU 82 Ca 0.15 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1mbx h GLU 82 Cb 0.12 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1mbx h GLU 82 CO -0.15 0.74 -0.16 1.15 -0.73 0.00 0.00 179.01 179.85 1mbx h THR 83 N 1.15 1.33 -0.90 0.32 2.02 -1.09 -1.53 112.91 114.21 1mbx h THR 83 Ca 0.39 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1mbx h THR 83 Cb 0.08 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 1mbx h THR 83 CO -0.13 0.39 0.58 0.11 0.37 0.00 0.00 175.52 176.84 1mbx h LYS 84 N 0.10 1.20 -0.31 6.66 1.57 -0.87 -0.10 116.57 124.82 1mbx h LYS 84 Ca 0.03 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1mbx h LYS 84 Cb 0.69 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1mbx h LYS 84 CO 0.04 0.81 0.16 0.28 -0.57 0.00 0.00 179.45 180.17 1mbx h VAL 85 N 1.22 1.14 -0.77 0.50 2.07 -1.05 -0.81 116.25 118.56 1mbx h VAL 85 Ca 0.33 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1mbx h VAL 85 Cb -0.11 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1mbx h VAL 85 CO -0.07 0.14 0.26 0.00 0.02 0.00 0.00 177.57 177.92 1mbx h ALA 86 N 1.03 1.01 -0.53 1.67 0.00 -0.89 -0.56 119.26 120.99 1mbx h ALA 86 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1mbx h ALA 86 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1mbx h ALA 86 CO -0.02 0.67 0.15 0.52 0.00 0.00 0.00 179.25 180.57 1mbx h MET 87 N 1.14 0.83 -0.11 0.00 2.07 -0.75 -0.53 114.93 117.57 1mbx h MET 87 Ca 0.25 -0.19 -0.01 0.00 -2.07 0.00 0.00 59.70 57.68 1mbx h MET 87 Cb 0.28 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 29.90 1mbx h MET 87 CO -0.01 0.78 0.04 0.28 1.07 0.00 0.00 176.91 179.07 1mbx h VAL 88 N 0.73 1.16 -0.23 -2.22 2.07 -0.90 -1.65 116.25 115.20 1mbx h VAL 88 Ca 0.17 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1mbx h VAL 88 Cb 0.31 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1mbx h VAL 88 CO -0.00 0.14 -0.02 0.78 0.02 0.00 0.00 177.57 178.49 1mbx h ASN 89 N 0.02 0.32 -0.29 0.57 2.35 -0.97 -0.21 115.58 117.36 1mbx h ASN 89 Ca 0.04 -0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 1mbx h ASN 89 Cb 0.18 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1mbx h ASN 89 CO -0.00 0.40 -0.44 0.50 -1.65 0.00 0.00 177.43 176.23 1mbx h LYS 90 N 0.34 0.81 -0.62 0.81 3.64 -0.93 -0.83 116.57 119.79 1mbx h LYS 90 Ca 0.08 -0.48 -0.09 0.00 -1.27 0.00 0.00 60.65 58.88 1mbx h LYS 90 Cb 0.26 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1mbx h LYS 90 CO 0.01 1.12 0.02 -0.92 -2.27 0.00 0.00 179.45 177.41 1mbx h TYR 91 N 0.58 1.16 -0.16 1.91 3.20 -0.79 -0.10 116.97 122.77 1mbx h TYR 91 Ca 0.03 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 1mbx h TYR 91 Cb 1.04 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1mbx h TYR 91 CO 0.07 1.02 0.07 0.00 -1.64 0.00 0.00 178.16 177.68 1mbx h ALA 92 N 1.00 0.21 -0.56 1.82 0.00 -0.94 -2.18 119.26 118.61 1mbx h ALA 92 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1mbx h ALA 92 Cb 0.54 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1mbx h ALA 92 CO 0.03 -0.21 0.34 -0.09 0.00 0.00 0.00 179.25 179.32 1mbx h ARG 93 N 0.12 0.65 0.00 0.00 2.43 -0.95 -1.28 114.38 115.35 1mbx h ARG 93 Ca 0.06 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1mbx h ARG 93 Cb 0.15 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1mbx h ARG 93 CO -0.01 0.43 -0.17 0.93 -1.51 0.00 0.00 179.97 179.64 1mbx h GLU 94 N 0.67 0.00 -0.65 0.20 5.08 -0.84 -1.34 114.58 117.70 1mbx h GLU 94 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1mbx h GLU 94 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1mbx h GLU 94 CO -0.10 0.17 0.00 0.09 -1.00 0.00 0.00 179.01 178.18 1mbx n ASN 95 N -3.99 4.57 -3.66 1.42 3.02 -0.76 -4.95 115.26 110.90 1mbx n ASN 95 Ca -0.02 -2.46 -0.24 0.00 -0.03 0.00 0.00 54.58 51.83 1mbx n ASN 95 Cb 0.26 -0.57 0.06 0.00 -0.61 0.00 0.00 39.78 38.91 1mbx n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mbx n GLU 96 N 1.00 -6.52 -4.75 3.52 1.02 -0.51 -5.01 120.64 109.39 1mbx n GLU 96 Ca 0.24 0.74 -0.25 0.00 -0.02 0.00 0.00 57.16 57.87 1mbx n GLU 96 Cb 0.87 -5.65 -0.15 0.00 -0.02 0.00 0.00 31.44 26.49 1mbx n GLU 96 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1mbx s HIS 97 N -3.39 1.71 -0.42 -0.32 3.76 -0.57 -5.03 115.29 111.04 1mbx s HIS 97 Ca 0.38 -0.35 0.02 0.00 -0.15 0.00 0.00 55.06 54.96 1mbx s HIS 97 Cb -0.18 -1.06 0.16 0.00 1.11 0.00 0.00 32.58 32.62 1mbx s HIS 97 CO 0.77 0.03 1.01 -0.35 -0.85 0.00 0.00 174.74 175.36 1mbx n PRO 98 N 2.20 1.54 -1.70 8.40 -0.04 -1.26 -4.03 135.00 140.11 1mbx n PRO 98 Ca -0.16 -0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 62.20 1mbx n PRO 98 Cb 0.53 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1mbx n PRO 98 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1mbx s LEU 99 N -0.67 4.25 -0.21 1.53 2.96 -1.26 -4.94 118.68 120.33 1mbx s LEU 99 Ca 0.12 2.48 -0.08 0.00 -0.22 0.00 0.00 54.13 56.43 1mbx s LEU 99 Cb 0.10 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1mbx s LEU 99 CO 0.03 -1.20 0.09 -0.22 -1.32 0.00 0.00 176.35 173.73 1mbx s LEU 100 N 5.09 3.84 -0.09 -0.68 2.96 -1.26 -4.79 118.68 123.75 1mbx s LEU 100 Ca 0.89 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1mbx s LEU 100 Cb -0.40 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1mbx s LEU 100 CO 0.39 0.11 -0.04 0.00 -1.32 0.00 0.00 176.35 175.49 1mbx s THR 102 N -0.65 0.10 0.14 0.00 -4.23 0.43 -4.91 115.64 106.52 1mbx s THR 102 Ca 0.10 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.66 1mbx s THR 102 Cb -0.12 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1mbx s THR 102 CO 0.02 0.00 -0.11 -1.48 -0.54 0.00 0.00 174.62 172.51 1mbx s LEU 103 N -3.20 2.49 -0.14 4.79 0.05 -1.26 0.60 118.68 122.02 1mbx s LEU 103 Ca 0.39 -0.95 -0.22 0.00 0.05 0.00 0.00 54.13 53.40 1mbx s LEU 103 Cb 0.07 -0.38 0.05 0.00 -2.05 0.00 0.00 46.19 43.88 1mbx s LEU 103 CO 0.13 -0.29 0.55 -0.70 -0.55 0.00 0.00 176.35 175.49 1mbx s GLU 104 N -3.44 0.76 0.25 1.48 2.12 -0.55 -4.97 118.70 114.36 1mbx s GLU 104 Ca 0.14 0.50 -0.31 0.00 0.36 0.00 0.00 54.97 55.66 1mbx s GLU 104 Cb 0.01 0.36 -0.13 0.00 0.26 0.00 0.00 34.13 34.63 1mbx s GLU 104 CO 0.01 -0.16 1.47 1.63 -0.54 0.00 0.00 175.26 177.67 1mbx n LYS 105 N 2.07 2.23 0.00 4.30 5.02 -1.26 -0.05 118.16 130.46 1mbx n LYS 105 Ca -0.16 0.80 0.06 0.00 -2.02 0.00 0.00 58.31 56.98 1mbx n LYS 105 Cb 0.56 -2.49 0.35 0.00 -0.02 0.00 0.00 35.03 33.43 1mbx n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88