#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m99 s ILE 8 N 0.00 3.02 -0.32 6.31 1.01 -1.26 -5.09 121.20 124.88 3m99 s ILE 8 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3m99 s ILE 8 Cb 0.00 -2.25 0.19 0.00 0.01 0.00 0.00 42.46 40.41 3m99 s ILE 8 CO 0.00 0.42 0.92 -0.75 0.00 0.00 0.00 174.94 175.54 3m99 s LYS 9 N -1.22 0.30 0.00 2.79 2.20 -1.26 -5.15 119.74 117.40 3m99 s LYS 9 Ca 0.14 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 3m99 s LYS 9 Cb -0.11 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 3m99 s LYS 9 CO 0.04 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 3m99 n GLY 10 N 4.70 3.07 3.59 5.54 0.00 -1.26 -5.05 105.19 115.78 3m99 n GLY 10 Ca 0.08 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 3m99 n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3m99 s ILE 11 N -0.70 5.28 -0.24 -0.61 2.07 -1.26 -5.02 121.20 120.72 3m99 s ILE 11 Ca 0.00 0.22 -0.39 0.00 -1.41 0.00 0.00 60.65 59.07 3m99 s ILE 11 Cb 0.00 -3.58 -0.18 0.00 0.13 0.00 0.00 42.46 38.84 3m99 s ILE 11 CO 0.00 0.21 1.20 1.17 -1.91 0.00 0.00 174.94 175.61 3m99 n LYS 12 N 5.12 0.00 -0.03 3.50 4.81 -1.26 -4.72 118.16 125.57 3m99 n LYS 12 Ca -0.13 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.39 3m99 n LYS 12 Cb 0.52 -1.33 0.46 0.00 0.02 0.00 0.00 35.03 34.70 3m99 n LYS 12 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3m99 h PRO 13 N 3.62 0.47 -0.03 1.64 0.11 -1.99 -1.65 132.00 134.17 3m99 h PRO 13 Ca -0.42 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 3m99 h PRO 13 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3m99 h PRO 13 CO 0.73 0.31 -0.67 -0.22 -0.21 0.00 0.00 178.00 177.95 3m99 h LYS 14 N 0.49 0.15 -0.19 1.05 1.63 -1.98 -1.17 116.57 116.53 3m99 h LYS 14 Ca 0.20 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.84 3m99 h LYS 14 Cb 0.19 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 3m99 h LYS 14 CO -0.05 0.76 -0.05 0.28 -3.45 0.00 0.00 179.45 176.94 3m99 h VAL 15 N 0.11 1.29 -0.45 2.00 2.07 -1.67 -2.83 116.25 116.76 3m99 h VAL 15 Ca -0.01 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 3m99 h VAL 15 Cb 1.19 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 3m99 h VAL 15 CO 0.10 0.31 0.09 0.16 0.02 0.00 0.00 177.57 178.25 3m99 h ILE 16 N 0.09 1.21 -0.03 4.57 3.07 -1.38 -2.31 117.51 122.72 3m99 h ILE 16 Ca 0.05 -0.77 0.01 0.00 1.55 0.00 0.00 64.86 65.70 3m99 h ILE 16 Cb 0.50 0.77 -0.00 0.00 -0.27 0.00 0.00 36.82 37.81 3m99 h ILE 16 CO 0.02 0.28 0.04 -0.08 -1.05 0.00 0.00 178.15 177.36 3m99 h GLU 17 N 0.67 0.00 0.02 0.16 4.22 -0.97 -3.12 114.58 115.56 3m99 h GLU 17 Ca 0.15 0.00 -0.39 0.00 0.08 0.00 0.00 59.36 59.20 3m99 h GLU 17 Cb 0.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 3m99 h GLU 17 CO 0.00 0.00 -2.29 0.39 -2.18 0.00 0.00 179.01 174.94 3m99 n GLU 18 N -3.83 0.65 0.00 1.92 1.02 -1.01 -5.03 120.64 114.36 3m99 n GLU 18 Ca -0.02 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3m99 n GLU 18 Cb 0.13 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 3m99 n GLU 18 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3m99 n TYR 19 N -3.68 0.00 -1.46 -0.32 0.53 -0.90 -5.00 117.16 106.32 3m99 n TYR 19 Ca -0.44 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.31 3m99 n TYR 19 Cb 0.94 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 39.15 3m99 n TYR 19 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 3m99 n SER 20 N 0.00 0.37 -0.04 7.72 3.41 -1.26 -4.92 113.62 118.91 3m99 n SER 20 Ca 0.00 -1.54 -0.00 0.00 -0.26 0.00 0.00 58.87 57.07 3m99 n SER 20 Cb 0.00 -1.27 -0.00 0.00 -0.26 0.00 0.00 64.21 62.68 3m99 n SER 20 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3m99 h LEU 21 N 18.01 0.00 0.00 1.04 3.38 -1.92 -3.39 115.31 132.43 3m99 h LEU 21 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3m99 h LEU 21 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3m99 h LEU 21 CO 1.14 0.38 0.00 0.47 0.09 0.00 0.00 178.44 180.51 3m99 n ASP 30 N -4.09 0.00 -4.33 -0.43 8.00 -1.26 -5.16 116.55 109.28 3m99 n ASP 30 Ca -0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 3m99 n ASP 30 Cb 0.00 0.18 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 3m99 n ASP 30 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3m99 s SER 31 N -1.84 3.88 0.35 -2.24 0.15 -1.26 -5.00 113.70 107.74 3m99 s SER 31 Ca 0.00 -0.38 0.18 0.00 0.70 0.00 0.00 55.95 56.45 3m99 s SER 31 Cb 0.00 -1.59 0.47 0.00 -1.71 0.00 0.00 66.02 63.19 3m99 s SER 31 CO 0.00 0.14 1.63 4.11 1.20 0.00 0.00 173.24 180.32 3m99 h TRP 32 N 6.92 0.00 0.00 3.44 5.08 -2.10 -3.09 115.95 126.20 3m99 h TRP 32 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 3m99 h TRP 32 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3m99 h TRP 32 CO 0.51 0.40 0.00 1.63 -1.28 0.00 0.00 178.44 179.69 3m99 n LYS 33 N -3.37 0.34 0.03 0.12 5.02 -1.26 -2.34 118.16 116.70 3m99 n LYS 33 Ca 0.01 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.48 3m99 n LYS 33 Cb 0.59 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 34.35 3m99 n LYS 33 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3m99 n SER 34 N -1.10 0.56 0.19 4.39 3.41 -1.17 -3.81 113.62 116.09 3m99 n SER 34 Ca 0.09 0.04 0.14 0.00 -0.26 0.00 0.00 58.87 58.88 3m99 n SER 34 Cb 0.07 0.09 0.49 0.00 -0.26 0.00 0.00 64.21 64.59 3m99 n SER 34 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3m99 h LEU 35 N 0.00 0.00 -2.10 1.04 3.38 -1.69 -3.29 115.31 112.65 3m99 h LEU 35 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3m99 h LEU 35 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3m99 h LEU 35 CO 0.00 0.00 0.31 -0.03 0.09 0.00 0.00 178.44 178.81 3m99 h MET 36 N 0.00 0.00 -0.18 1.13 4.05 -1.79 0.37 114.93 118.51 3m99 h MET 36 Ca 0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 3m99 h MET 36 Cb 0.59 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 3m99 h MET 36 CO 0.00 0.00 -0.06 1.03 0.23 0.00 0.00 176.91 178.11 3m99 h SER 37 N 0.00 0.37 0.60 1.39 0.87 -1.87 -3.05 113.55 111.86 3m99 h SER 37 Ca 0.15 -0.39 -0.21 0.00 -1.23 0.00 0.00 61.79 60.11 3m99 h SER 37 Cb 0.77 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 3m99 h SER 37 CO -0.00 0.67 -1.55 -1.54 -0.53 0.00 0.00 176.83 173.88 3m99 n SER 38 N -4.63 0.82 0.24 6.23 3.41 -0.95 -3.50 113.62 115.24 3m99 n SER 38 Ca -0.05 0.37 0.16 0.00 -0.26 0.00 0.00 58.87 59.09 3m99 n SER 38 Cb 0.29 0.16 0.86 0.00 -0.26 0.00 0.00 64.21 65.25 3m99 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m99 h ALA 39 N 1.29 1.00 0.00 7.33 0.00 -1.01 0.30 119.26 128.17 3m99 h ALA 39 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3m99 h ALA 39 Cb 1.73 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3m99 h ALA 39 CO 0.05 0.00 -1.53 1.63 0.00 0.00 0.00 179.25 179.41 3m99 n LYS 40 N -2.63 0.63 0.14 0.00 5.02 -1.15 -3.56 118.16 116.61 3m99 n LYS 40 Ca -0.02 0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.35 3m99 n LYS 40 Cb 0.07 -1.72 0.17 0.00 -0.02 0.00 0.00 35.03 33.52 3m99 n LYS 40 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3m99 h ASP 41 N 0.00 0.00 -3.19 4.39 5.19 -0.88 -3.46 116.42 118.47 3m99 h ASP 41 Ca -0.13 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.70 3m99 h ASP 41 Cb 1.37 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.84 3m99 h ASP 41 CO 0.02 0.62 -0.07 -0.89 -3.12 0.00 0.00 179.24 175.80 3m99 s THR 42 N -3.52 4.80 0.44 0.35 2.01 0.79 -5.08 115.64 115.43 3m99 s THR 42 Ca -0.01 1.14 -0.13 0.00 0.31 0.00 0.00 61.69 63.00 3m99 s THR 42 Cb 0.12 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 3m99 s THR 42 CO 0.76 0.56 0.85 -2.16 -0.69 0.00 0.00 174.62 173.94 3m99 s PRO 43 N -1.10 3.87 0.02 4.92 0.04 -1.26 -4.91 135.00 136.58 3m99 s PRO 43 Ca 0.28 0.69 -0.38 0.00 0.04 0.00 0.00 61.00 61.62 3m99 s PRO 43 Cb -0.19 -2.29 -0.20 0.00 0.04 0.00 0.00 34.50 31.86 3m99 s PRO 43 CO 0.18 -0.11 1.00 -0.11 0.04 0.00 0.00 177.00 178.00 3m99 n LEU 44 N -1.30 -0.16 -4.43 -3.56 7.94 -1.26 -4.97 117.00 109.26 3m99 n LEU 44 Ca 0.04 1.15 -0.22 0.00 -1.11 0.00 0.00 56.01 55.87 3m99 n LEU 44 Cb 0.54 -0.92 -0.10 0.00 0.53 0.00 0.00 43.42 43.47 3m99 n LEU 44 CO 0.46 -2.04 -0.45 -1.58 -1.11 0.00 0.00 177.39 172.67 3m99 s GLN 45 N -0.12 1.56 0.05 1.96 2.00 -1.26 -5.10 119.66 118.74 3m99 s GLN 45 Ca 0.87 -1.72 0.06 0.00 -2.00 0.00 0.00 55.36 52.57 3m99 s GLN 45 Cb -1.22 -1.49 -0.03 0.00 0.80 0.00 0.00 33.01 31.07 3m99 s GLN 45 CO 0.57 0.24 -0.17 0.71 -0.50 0.00 0.00 175.29 176.13 3m99 s TYR 46 N -2.72 1.52 0.20 1.67 1.51 -1.26 -5.05 117.35 113.22 3m99 s TYR 46 Ca 0.28 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 3m99 s TYR 46 Cb -0.02 -0.89 0.14 0.00 -0.11 0.00 0.00 41.96 41.07 3m99 s TYR 46 CO 0.12 0.08 1.48 -0.44 -1.11 0.00 0.00 175.55 175.68 3m99 h ASP 47 N 4.76 0.35 0.00 2.29 3.32 -2.01 -3.38 116.42 121.74 3m99 h ASP 47 Ca -0.41 -0.22 -0.31 0.00 0.02 0.00 0.00 57.03 56.10 3m99 h ASP 47 Cb 1.17 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 3m99 h ASP 47 CO 0.43 0.93 -2.02 1.41 -1.72 0.00 0.00 179.24 178.27 3m99 n HIS 48 N -3.83 0.00 -2.06 4.55 8.25 -1.26 -4.89 115.22 115.98 3m99 n HIS 48 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 3m99 n HIS 48 Cb 0.68 -0.80 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 3m99 n HIS 48 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3m99 s MET 49 N -2.59 3.34 0.22 -0.41 -1.94 -1.26 -4.96 119.30 111.70 3m99 s MET 49 Ca -0.34 1.30 -0.30 0.00 -1.71 0.00 0.00 55.69 54.63 3m99 s MET 49 Cb 0.11 -4.18 -0.10 0.00 2.01 0.00 0.00 34.83 32.68 3m99 s MET 49 CO 0.44 -1.85 1.44 1.21 -0.01 0.00 0.00 175.02 176.25 3m99 s ASN 50 N 5.82 6.69 0.12 3.03 3.84 -1.26 -4.23 114.94 128.95 3m99 s ASN 50 Ca 0.76 2.59 -0.21 0.00 0.21 0.00 0.00 52.86 56.21 3m99 s ASN 50 Cb -0.20 -2.61 -0.07 0.00 -0.55 0.00 0.00 41.25 37.82 3m99 s ASN 50 CO 0.33 -0.69 1.73 -0.09 -2.79 0.00 0.00 177.10 175.58 3m99 h ARG 51 N 5.54 0.04 0.16 0.43 9.65 -1.93 -1.97 114.38 126.30 3m99 h ARG 51 Ca -0.45 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.42 3m99 h ARG 51 Cb 1.21 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3m99 h ARG 51 CO 0.81 0.03 -0.08 0.93 2.80 0.00 0.00 179.97 184.46 3m99 h GLU 52 N 0.04 -0.21 0.00 0.20 3.07 -2.00 -2.85 114.58 112.83 3m99 h GLU 52 Ca 0.07 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3m99 h GLU 52 Cb 0.08 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3m99 h GLU 52 CO -0.12 -0.04 0.00 0.77 -1.40 0.00 0.00 179.01 178.22 3m99 h SER 53 N -0.33 0.00 -0.11 1.42 0.02 -1.96 -2.09 113.55 110.51 3m99 h SER 53 Ca -0.02 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.70 3m99 h SER 53 Cb 0.26 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.81 3m99 h SER 53 CO 0.04 0.00 -0.79 -0.07 -1.14 0.00 0.00 176.83 174.86 3m99 h LEU 54 N 0.00 0.91 0.00 5.07 3.38 -1.13 -1.78 115.31 121.76 3m99 h LEU 54 Ca 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3m99 h LEU 54 Cb 0.36 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3m99 h LEU 54 CO 0.00 1.40 0.00 2.29 0.09 0.00 0.00 178.44 182.22 3m99 n LYS 55 N -3.92 0.14 -0.14 1.13 2.85 -0.81 -1.90 118.16 115.51 3m99 n LYS 55 Ca -0.07 0.04 -0.29 0.00 -1.05 0.00 0.00 58.31 56.94 3m99 n LYS 55 Cb 0.75 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.53 3m99 n LYS 55 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3m99 n LYS 56 N -1.42 0.60 0.00 -1.58 4.81 -1.09 -4.67 118.16 114.80 3m99 n LYS 56 Ca 0.09 0.25 0.10 0.00 -0.87 0.00 0.00 58.31 57.88 3m99 n LYS 56 Cb 0.27 -1.49 0.02 0.00 0.02 0.00 0.00 35.03 33.86 3m99 n LYS 56 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3m99 n TYR 57 N -4.16 0.00 -4.52 5.64 4.02 -0.67 -4.97 117.16 112.50 3m99 n TYR 57 Ca -0.54 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.11 3m99 n TYR 57 Cb 0.90 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.12 3m99 n TYR 57 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3m99 s PHE 58 N -2.14 1.99 0.11 -0.72 0.40 -0.80 -5.05 117.98 111.77 3m99 s PHE 58 Ca 0.19 -0.99 -0.23 0.00 -0.60 0.00 0.00 56.93 55.30 3m99 s PHE 58 Cb 0.17 -1.35 -0.07 0.00 0.51 0.00 0.00 43.02 42.28 3m99 s PHE 58 CO 0.44 0.02 0.69 -0.80 0.70 0.00 0.00 175.22 176.27 3m99 s ASN 59 N -3.58 7.22 0.26 1.36 0.01 -1.26 -4.63 114.94 114.33 3m99 s ASN 59 Ca 0.31 1.45 -0.01 0.00 -0.71 0.00 0.00 52.86 53.89 3m99 s ASN 59 Cb 0.07 -2.43 0.57 0.00 0.41 0.00 0.00 41.25 39.87 3m99 s ASN 59 CO 0.14 0.21 1.69 -0.65 -1.51 0.00 0.00 177.10 176.98 3m99 h PRO 60 N 4.63 0.32 -0.02 -0.60 0.11 -1.89 0.15 132.00 134.70 3m99 h PRO 60 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3m99 h PRO 60 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3m99 h PRO 60 CO 0.66 0.21 0.00 0.27 -0.21 0.00 0.00 178.00 178.93 3m99 n ASN 61 N -5.11 0.22 -4.58 -2.05 6.94 -1.26 -4.94 115.26 104.48 3m99 n ASN 61 Ca 0.18 -1.39 -0.53 0.00 -0.02 0.00 0.00 54.58 52.81 3m99 n ASN 61 Cb 0.54 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.89 3m99 n ASN 61 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3m99 n ALA 62 N -0.67 -1.39 -2.68 -2.53 0.00 0.53 -4.95 120.51 108.83 3m99 n ALA 62 Ca 0.16 0.53 -0.41 0.00 0.00 0.00 0.00 53.44 53.72 3m99 n ALA 62 Cb 0.11 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 3m99 n ALA 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3m99 s GLN 63 N 0.43 4.32 0.11 0.00 0.74 -1.26 -5.05 119.66 118.95 3m99 s GLN 63 Ca 0.86 0.95 0.09 0.00 0.05 0.00 0.00 55.36 57.31 3m99 s GLN 63 Cb -1.00 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 29.52 3m99 s GLN 63 CO 0.49 -0.24 -0.24 -0.51 -0.55 0.00 0.00 175.29 174.24 3m99 s LEU 64 N 1.86 2.30 -0.04 3.68 1.43 -1.26 -5.12 118.68 121.53 3m99 s LEU 64 Ca 0.37 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3m99 s LEU 64 Cb -0.17 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.05 3m99 s LEU 64 CO 0.14 0.12 0.04 -0.63 0.23 0.00 0.00 176.35 176.24 3m99 s ILE 65 N -1.10 0.03 0.00 -0.59 -1.09 -1.26 -5.11 121.20 112.09 3m99 s ILE 65 Ca 0.10 0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 3m99 s ILE 65 Cb -0.10 -0.24 0.00 0.00 -1.58 0.00 0.00 42.46 40.54 3m99 s ILE 65 CO 0.05 0.18 0.49 -0.62 -1.23 0.00 0.00 174.94 173.81 3m99 n GLU 66 N 5.02 0.00 -3.91 2.79 -0.58 -1.26 -4.31 120.64 118.39 3m99 n GLU 66 Ca -0.09 0.19 -0.30 0.00 -0.42 0.00 0.00 57.16 56.54 3m99 n GLU 66 Cb 0.50 -0.99 -0.14 0.00 -0.57 0.00 0.00 31.44 30.24 3m99 n GLU 66 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3m99 s ASP 67 N -2.40 4.24 0.33 1.62 -0.00 -1.26 -4.98 116.67 114.22 3m99 s ASP 67 Ca 0.00 -2.84 0.02 0.00 -0.00 0.00 0.00 52.55 49.72 3m99 s ASP 67 Cb 0.00 -1.52 0.59 0.00 -0.00 0.00 0.00 42.92 41.98 3m99 s ASP 67 CO 0.00 -0.25 1.96 1.55 -0.00 0.00 0.00 175.17 178.43 3m99 h PRO 68 N 6.67 0.91 -2.74 8.23 0.13 -1.98 -1.99 132.00 141.24 3m99 h PRO 68 Ca -0.07 -0.05 -0.77 0.00 -0.87 0.00 0.00 66.00 64.24 3m99 h PRO 68 Cb 0.91 -0.21 -0.31 0.00 0.13 0.00 0.00 31.00 31.53 3m99 h PRO 68 CO 0.63 0.60 0.55 1.28 -0.23 0.00 0.00 178.00 180.84 3m99 n LEU 69 N -4.45 6.02 -0.09 1.56 4.77 -1.26 -4.61 117.00 118.94 3m99 n LEU 69 Ca 0.10 -5.28 -0.16 0.00 -0.03 0.00 0.00 56.01 50.65 3m99 n LEU 69 Cb 0.12 -1.15 -0.05 0.00 -2.33 0.00 0.00 43.42 40.01 3m99 n LEU 69 CO 0.35 1.79 -0.91 -0.67 -1.33 0.00 0.00 177.39 176.62 3m99 n ASP 70 N 1.12 1.69 -4.31 -1.43 2.03 -0.75 -5.04 116.55 109.87 3m99 n ASP 70 Ca 0.28 0.29 -0.17 0.00 0.52 0.00 0.00 54.79 55.71 3m99 n ASP 70 Cb 0.34 -0.67 -0.10 0.00 -0.72 0.00 0.00 41.12 39.97 3m99 n ASP 70 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3m99 s LYS 71 N -2.58 1.22 1.01 -0.67 -2.85 -1.26 -5.13 119.74 109.47 3m99 s LYS 71 Ca -0.28 -1.53 -0.15 0.00 -1.00 0.00 0.00 55.97 53.02 3m99 s LYS 71 Cb 0.08 -0.92 0.05 0.00 -2.06 0.00 0.00 37.83 34.98 3m99 s LYS 71 CO 0.37 0.14 0.21 -0.35 0.10 0.00 0.00 175.35 175.83 3m99 n PRO 72 N -0.29 -0.72 -2.11 1.78 -0.04 -1.26 -4.86 135.00 127.49 3m99 n PRO 72 Ca -0.09 -0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 62.77 3m99 n PRO 72 Cb 0.60 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 3m99 n PRO 72 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3m99 s ILE 73 N -2.33 3.01 -0.48 0.52 1.10 -1.26 -4.96 121.20 116.80 3m99 s ILE 73 Ca 0.56 0.78 -0.17 0.00 -0.51 0.00 0.00 60.65 61.31 3m99 s ILE 73 Cb -0.18 -3.50 0.06 0.00 0.15 0.00 0.00 42.46 39.00 3m99 s ILE 73 CO 0.68 0.09 0.49 -1.10 -2.11 0.00 0.00 174.94 172.99 3m99 s GLN 74 N 0.37 3.04 0.21 3.50 -0.21 -1.26 -5.03 119.66 120.27 3m99 s GLN 74 Ca 0.62 -1.14 -0.10 0.00 0.02 0.00 0.00 55.36 54.76 3m99 s GLN 74 Cb -0.39 -4.11 -0.01 0.00 1.00 0.00 0.00 33.01 29.50 3m99 s GLN 74 CO 0.36 -1.09 0.37 1.52 -2.12 0.00 0.00 175.29 174.32 3m99 s TYR 75 N 2.06 0.45 0.01 0.91 -0.85 -1.26 -3.60 117.35 115.07 3m99 s TYR 75 Ca 0.09 -0.79 0.02 0.00 -0.52 0.00 0.00 57.07 55.87 3m99 s TYR 75 Cb -0.22 0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.12 3m99 s TYR 75 CO 0.09 -0.84 -0.07 1.03 -1.52 0.00 0.00 175.55 174.23 3m99 s ARG 76 N -4.01 0.54 -0.16 -3.49 0.52 -0.86 -4.98 118.95 106.51 3m99 s ARG 76 Ca 0.22 -0.41 -0.18 0.00 -0.52 0.00 0.00 55.73 54.84 3m99 s ARG 76 Cb 0.02 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.98 3m99 s ARG 76 CO 0.06 0.12 0.50 0.08 0.02 0.00 0.00 175.30 176.08 3m99 s VAL 77 N -0.53 5.14 0.47 3.52 1.01 -1.26 -0.91 120.40 127.85 3m99 s VAL 77 Ca -0.01 0.96 -0.24 0.00 0.00 0.00 0.00 61.98 62.70 3m99 s VAL 77 Cb -0.05 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 3m99 s VAL 77 CO 0.00 0.24 1.29 0.00 0.00 0.00 0.00 175.10 176.63 3m99 h GLU 79 N 1.82 0.83 0.00 0.00 4.39 -1.96 -2.82 114.58 116.85 3m99 h GLU 79 Ca -0.49 -0.17 -0.21 0.00 0.34 0.00 0.00 59.36 58.83 3m99 h GLU 79 Cb 1.30 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 3m99 h GLU 79 CO 0.59 0.74 -1.81 1.63 -1.16 0.00 0.00 179.01 179.00 3m99 n LYS 80 N -4.28 1.16 0.04 2.33 5.02 -1.26 -4.60 118.16 116.57 3m99 n LYS 80 Ca 0.04 0.04 0.07 0.00 -2.02 0.00 0.00 58.31 56.45 3m99 n LYS 80 Cb 0.22 -1.29 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 3m99 n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m99 n GLY 82 N 1.29 0.73 3.70 0.00 0.00 -1.06 -4.99 105.19 104.85 3m99 n GLY 82 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3m99 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m99 n LYS 83 N -2.00 1.86 -2.54 1.61 5.02 -1.26 -4.57 118.16 116.28 3m99 n LYS 83 Ca 0.00 0.66 -0.42 0.00 -2.02 0.00 0.00 58.31 56.54 3m99 n LYS 83 Cb 0.00 -2.38 -0.03 0.00 -0.02 0.00 0.00 35.03 32.61 3m99 n LYS 83 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3m99 s PRO 84 N -2.27 3.42 0.14 1.97 0.02 -1.26 -1.66 135.00 135.35 3m99 s PRO 84 Ca 0.62 0.20 -0.20 0.00 0.02 0.00 0.00 61.00 61.64 3m99 s PRO 84 Cb -0.50 -4.06 -0.07 0.00 0.02 0.00 0.00 34.50 29.88 3m99 s PRO 84 CO 0.57 -1.82 0.65 -0.51 -0.33 0.00 0.00 177.00 175.56 3m99 s LEU 85 N 5.30 4.48 0.65 -5.54 1.43 -0.09 -4.93 118.68 119.99 3m99 s LEU 85 Ca 0.43 1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 54.74 3m99 s LEU 85 Cb -0.08 -3.18 -0.00 0.00 0.03 0.00 0.00 46.19 42.95 3m99 s LEU 85 CO 0.23 0.19 1.13 0.00 0.23 0.00 0.00 176.35 178.13 3m99 s ALA 86 N -1.25 2.46 -0.71 4.21 0.00 -1.26 -2.03 121.76 123.18 3m99 s ALA 86 Ca 0.35 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3m99 s ALA 86 Cb -0.19 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3m99 s ALA 86 CO 0.21 -1.28 0.46 -0.11 0.00 0.00 0.00 175.76 175.04 3m99 n LEU 87 N -2.28 1.11 0.00 0.00 -0.00 -1.24 -1.99 117.00 112.61 3m99 n LEU 87 Ca 0.11 -0.56 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 3m99 n LEU 87 Cb 0.52 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 3m99 n LEU 87 CO 0.47 0.23 0.01 1.07 -0.00 0.00 0.00 177.39 179.17 3m99 n THR 88 N 0.29 0.00 -0.08 1.96 5.66 -1.26 -4.81 114.28 116.04 3m99 n THR 88 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3m99 n THR 88 Cb 0.23 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 69.95 3m99 n THR 88 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3m99 n ALA 89 N 0.00 2.13 0.28 1.79 0.00 -0.84 -4.77 120.51 119.10 3m99 n ALA 89 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 3m99 n ALA 89 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 3m99 n ALA 89 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3m99 h ILE 90 N 0.08 0.50 -0.17 0.00 2.04 -1.84 -2.58 117.51 115.54 3m99 h ILE 90 Ca 0.00 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3m99 h ILE 90 Cb 0.04 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3m99 h ILE 90 CO 0.00 0.02 -0.05 0.58 0.00 0.00 0.00 178.15 178.69 3m99 h VAL 91 N -0.73 0.80 0.00 1.67 2.07 -1.90 -1.14 116.25 117.02 3m99 h VAL 91 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3m99 h VAL 91 Cb 0.54 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3m99 h VAL 91 CO 0.11 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.92 3m99 h ASP 92 N -0.02 0.00 0.05 0.57 3.58 -1.89 -1.99 116.42 116.73 3m99 h ASP 92 Ca 0.09 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.29 3m99 h ASP 92 Cb 0.15 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3m99 h ASP 92 CO -0.19 0.00 -1.30 -0.74 -2.88 0.00 0.00 179.24 174.14 3m99 h HIS 93 N 0.00 0.21 -0.15 0.28 2.76 -0.84 -3.24 115.15 114.18 3m99 h HIS 93 Ca 0.00 -0.15 0.02 0.00 -2.20 0.00 0.00 60.37 58.04 3m99 h HIS 93 Cb 0.32 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 3m99 h HIS 93 CO 0.00 1.51 -0.00 -0.07 -1.30 0.00 0.00 177.93 178.07 3m99 h LEU 94 N -0.63 -0.06 -1.30 0.26 3.38 -1.18 -1.85 115.31 113.93 3m99 h LEU 94 Ca -0.31 0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.75 3m99 h LEU 94 Cb 1.52 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.28 3m99 h LEU 94 CO -0.06 -0.01 0.51 -0.33 0.09 0.00 0.00 178.44 178.64 3m99 h GLU 95 N 0.05 0.83 0.00 1.13 5.08 -1.50 -3.41 114.58 116.75 3m99 h GLU 95 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3m99 h GLU 95 Cb 0.08 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3m99 h GLU 95 CO -0.12 0.55 0.00 0.27 -1.00 0.00 0.00 179.01 178.71 3m99 n ASN 96 N -4.48 0.00 0.12 1.42 6.94 -1.20 -5.00 115.26 113.06 3m99 n ASN 96 Ca 0.11 0.00 0.07 0.00 -0.02 0.00 0.00 54.58 54.74 3m99 n ASN 96 Cb 0.21 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.65 3m99 n ASN 96 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 3m99 h HIS 97 N 0.00 0.00 0.00 -2.53 3.86 -1.53 -3.50 115.15 111.45 3m99 h HIS 97 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3m99 h HIS 97 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3m99 h HIS 97 CO 0.00 0.25 0.00 0.00 0.86 0.00 0.00 177.93 179.04