#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4a s ASP 15 N 0.00 5.77 -0.01 1.20 -1.08 -1.26 -5.06 116.67 116.23 1u4a s ASP 15 Ca 0.00 2.17 0.03 0.00 -0.52 0.00 0.00 52.55 54.22 1u4a s ASP 15 Cb 0.00 -2.58 -0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1u4a s ASP 15 CO 0.00 -1.18 -0.08 -1.00 0.52 0.00 0.00 175.17 173.42 1u4a s HIS 16 N -1.77 0.77 -0.08 -5.34 3.76 -1.26 -4.83 115.29 106.54 1u4a s HIS 16 Ca 0.72 -0.15 -0.29 0.00 -0.15 0.00 0.00 55.06 55.19 1u4a s HIS 16 Cb -0.24 -0.51 -0.02 0.00 1.11 0.00 0.00 32.58 32.93 1u4a s HIS 16 CO 0.27 -0.03 0.98 0.96 -0.85 0.00 0.00 174.74 176.07 1u4a s ILE 17 N -0.12 4.83 -0.55 0.60 -4.36 -0.49 -4.88 121.20 116.22 1u4a s ILE 17 Ca 0.02 2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 62.18 1u4a s ILE 17 Cb -0.04 -4.29 0.05 0.00 1.25 0.00 0.00 42.46 39.42 1u4a s ILE 17 CO -0.00 0.06 0.90 0.20 0.24 0.00 0.00 174.94 176.34 1u4a s ASN 18 N 1.06 6.31 -0.18 4.36 -0.87 -0.48 -2.84 114.94 122.30 1u4a s ASN 18 Ca 0.48 -0.48 -0.03 0.00 -1.57 0.00 0.00 52.86 51.26 1u4a s ASN 18 Cb -0.19 -2.41 -0.02 0.00 -0.02 0.00 0.00 41.25 38.61 1u4a s ASN 18 CO 0.21 -1.20 -0.06 -0.76 -2.57 0.00 0.00 177.10 172.72 1u4a s LEU 19 N 3.77 2.95 -0.54 0.60 1.02 -0.25 -2.86 118.68 123.38 1u4a s LEU 19 Ca 0.28 -0.31 -0.18 0.00 0.02 0.00 0.00 54.13 53.94 1u4a s LEU 19 Cb -0.14 -1.72 0.09 0.00 0.02 0.00 0.00 46.19 44.44 1u4a s LEU 19 CO 0.17 0.07 0.58 -0.54 0.02 0.00 0.00 176.35 176.66 1u4a s LYS 20 N 0.92 3.04 -0.17 1.70 3.01 -0.88 -0.55 119.74 126.82 1u4a s LYS 20 Ca -0.01 -1.30 -0.27 0.00 -1.01 0.00 0.00 55.97 53.38 1u4a s LYS 20 Cb -0.15 -4.20 -0.01 0.00 -1.01 0.00 0.00 37.83 32.46 1u4a s LYS 20 CO 0.01 -1.31 0.92 0.08 0.51 0.00 0.00 175.35 175.55 1u4a s VAL 21 N 2.23 4.81 -0.34 3.17 1.01 0.08 -3.04 120.40 128.32 1u4a s VAL 21 Ca 0.09 1.82 0.01 0.00 0.00 0.00 0.00 61.98 63.90 1u4a s VAL 21 Cb -0.24 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.01 1u4a s VAL 21 CO 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 175.10 175.20 1u4a s ALA 22 N 2.36 2.91 0.45 5.51 0.00 -0.11 -2.59 121.76 130.28 1u4a s ALA 22 Ca 0.42 -2.31 -0.15 0.00 0.00 0.00 0.00 51.96 49.92 1u4a s ALA 22 Cb -0.17 -2.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 1u4a s ALA 22 CO 0.12 -1.59 0.88 0.20 0.00 0.00 0.00 175.76 175.38 1u4a s GLY 23 N 1.23 2.08 0.42 0.00 0.00 -1.20 -2.82 107.32 107.04 1u4a s GLY 23 Ca 0.05 0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.91 1u4a s GLY 23 CO -0.06 0.29 2.07 -1.61 0.00 0.00 0.00 173.10 173.80 1u4a h GLN 24 N 1.27 0.48 -0.15 2.90 4.15 -1.90 -1.75 115.11 120.11 1u4a h GLN 24 Ca -0.47 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 1u4a h GLN 24 Cb 1.18 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1u4a h GLN 24 CO 0.63 0.31 0.03 0.22 -1.93 0.00 0.00 178.83 178.10 1u4a h ASP 25 N 0.49 0.19 0.00 -0.69 3.58 -1.93 -3.47 116.42 114.59 1u4a h ASP 25 Ca 0.14 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1u4a h ASP 25 Cb -0.04 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1u4a h ASP 25 CO -0.03 0.20 0.00 0.61 -2.88 0.00 0.00 179.24 177.14 1u4a n GLY 26 N -1.32 1.05 3.45 -0.78 0.00 -0.66 -5.18 105.19 101.75 1u4a n GLY 26 Ca -0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 1u4a n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u4a s SER 27 N 0.00 -0.54 -0.33 1.61 0.15 -1.25 -4.96 113.70 108.38 1u4a s SER 27 Ca 0.00 0.45 -0.01 0.00 0.70 0.00 0.00 55.95 57.09 1u4a s SER 27 Cb 0.00 0.51 0.13 0.00 -1.71 0.00 0.00 66.02 64.95 1u4a s SER 27 CO 0.00 -0.65 0.21 -0.69 1.20 0.00 0.00 173.24 173.31 1u4a s VAL 28 N -1.74 -0.00 -0.08 4.45 1.01 -1.25 -3.22 120.40 119.56 1u4a s VAL 28 Ca -0.09 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.59 1u4a s VAL 28 Cb -0.01 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1u4a s VAL 28 CO 0.04 -0.85 -0.10 -0.69 0.00 0.00 0.00 175.10 173.50 1u4a s VAL 29 N 1.45 3.39 -0.91 2.92 1.01 -1.07 -4.94 120.40 122.24 1u4a s VAL 29 Ca 0.15 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 1u4a s VAL 29 Cb -0.20 -2.39 0.23 0.00 0.00 0.00 0.00 36.38 34.03 1u4a s VAL 29 CO -0.11 0.57 0.88 0.00 0.00 0.00 0.00 175.10 176.44 1u4a s GLN 30 N -0.45 3.77 0.06 2.72 0.00 -1.26 -0.74 119.66 123.76 1u4a s GLN 30 Ca 0.06 -2.66 -0.30 0.00 -0.00 0.00 0.00 55.36 52.47 1u4a s GLN 30 Cb -0.12 -4.48 -0.05 0.00 0.00 0.00 0.00 33.01 28.36 1u4a s GLN 30 CO 0.02 -1.29 0.96 0.12 0.00 0.00 0.00 175.29 175.09 1u4a s PHE 31 N -0.16 3.74 -0.50 9.60 2.19 0.29 -4.79 117.98 128.35 1u4a s PHE 31 Ca 0.22 1.74 -0.04 0.00 0.33 0.00 0.00 56.93 59.18 1u4a s PHE 31 Cb -0.10 -3.07 0.13 0.00 -1.31 0.00 0.00 43.02 38.68 1u4a s PHE 31 CO -0.09 0.12 0.31 0.15 1.83 0.00 0.00 175.22 177.54 1u4a s LYS 32 N 0.42 2.28 0.56 10.12 1.02 -1.26 -1.08 119.74 131.80 1u4a s LYS 32 Ca 0.48 -2.07 0.07 0.00 0.02 0.00 0.00 55.97 54.47 1u4a s LYS 32 Cb -0.22 -3.69 0.06 0.00 -0.52 0.00 0.00 37.83 33.46 1u4a s LYS 32 CO 0.29 -1.13 0.52 0.96 -0.92 0.00 0.00 175.35 175.07 1u4a s ILE 33 N 0.73 1.75 0.09 2.17 -4.36 -1.13 -4.81 121.20 115.64 1u4a s ILE 33 Ca 0.11 -1.35 -0.03 0.00 -0.26 0.00 0.00 60.65 59.12 1u4a s ILE 33 Cb -0.22 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.34 1u4a s ILE 33 CO -0.04 0.00 0.29 -1.59 0.24 0.00 0.00 174.94 173.85 1u4a s LYS 34 N -4.41 3.54 -0.43 0.37 0.00 -1.26 -1.39 119.74 116.16 1u4a s LYS 34 Ca 0.42 -0.23 -0.05 0.00 0.00 0.00 0.00 55.97 56.10 1u4a s LYS 34 Cb -0.03 -2.95 -0.07 0.00 0.00 0.00 0.00 37.83 34.78 1u4a s LYS 34 CO 0.26 0.55 3.08 -2.13 0.00 0.00 0.00 175.35 177.11 1u4a n ARG 35 N 0.29 2.52 -1.78 1.78 0.63 -1.26 -3.88 116.66 114.96 1u4a n ARG 35 Ca -0.04 -1.92 -0.03 0.00 -0.92 0.00 0.00 57.85 54.93 1u4a n ARG 35 Cb 0.52 -2.17 0.02 0.00 0.45 0.00 0.00 32.46 31.27 1u4a n ARG 35 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1u4a n HIS 36 N 1.73 -0.51 -3.67 -0.14 8.25 -1.26 -4.90 115.22 114.72 1u4a n HIS 36 Ca 0.50 -1.05 -0.13 0.00 -0.26 0.00 0.00 57.72 56.78 1u4a n HIS 36 Cb 0.64 0.66 -0.07 0.00 1.12 0.00 0.00 29.99 32.34 1u4a n HIS 36 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1u4a s THR 37 N -0.36 0.05 0.85 1.59 -4.23 -1.25 -5.17 115.64 107.12 1u4a s THR 37 Ca 0.11 -0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 60.09 1u4a s THR 37 Cb 0.23 -0.89 0.10 0.00 1.34 0.00 0.00 72.50 73.28 1u4a s THR 37 CO -0.07 -0.23 1.09 -2.16 -0.54 0.00 0.00 174.62 172.71 1u4a s PRO 38 N -2.12 1.63 0.60 3.99 0.04 -1.26 -4.89 135.00 133.00 1u4a s PRO 38 Ca -0.07 0.87 0.31 0.00 0.04 0.00 0.00 61.00 62.15 1u4a s PRO 38 Cb -0.02 -1.85 1.88 0.00 0.04 0.00 0.00 34.50 34.55 1u4a s PRO 38 CO 0.00 -1.99 2.25 -0.07 0.04 0.00 0.00 177.00 177.23 1u4a h LEU 39 N -1.37 0.00 -1.63 -3.56 3.38 -1.51 -2.22 115.31 108.40 1u4a h LEU 39 Ca -0.48 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.69 1u4a h LEU 39 Cb 1.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 1u4a h LEU 39 CO 0.55 0.00 0.57 0.28 0.09 0.00 0.00 178.44 179.93 1u4a h SER 40 N 0.00 0.32 0.54 -0.43 0.02 0.38 0.24 113.55 114.62 1u4a h SER 40 Ca 0.01 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1u4a h SER 40 Cb 0.06 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.57 1u4a h SER 40 CO -0.00 0.13 -0.26 0.50 -1.14 0.00 0.00 176.83 176.06 1u4a h LYS 41 N 0.32 -0.70 -0.50 3.45 3.64 -1.67 -1.06 116.57 120.04 1u4a h LYS 41 Ca 0.43 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.82 1u4a h LYS 41 Cb 1.17 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1u4a h LYS 41 CO -0.13 -0.40 0.18 1.25 -2.27 0.00 0.00 179.45 178.08 1u4a h LEU 42 N -1.03 0.71 -0.07 5.20 6.46 -1.58 -1.77 115.31 123.23 1u4a h LEU 42 Ca -0.07 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.51 1u4a h LEU 42 Cb 0.63 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1u4a h LEU 42 CO 0.12 0.71 -0.03 -0.03 -0.62 0.00 0.00 178.44 178.59 1u4a h MET 43 N 0.67 -0.02 0.30 1.25 4.05 -0.60 0.51 114.93 121.10 1u4a h MET 43 Ca 0.16 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1u4a h MET 43 Cb 0.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1u4a h MET 43 CO -0.01 -0.01 -0.15 0.87 0.23 0.00 0.00 176.91 177.84 1u4a h LYS 44 N -0.02 -0.39 -0.28 0.39 1.57 -1.12 0.22 116.57 116.93 1u4a h LYS 44 Ca 0.04 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1u4a h LYS 44 Cb 0.08 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1u4a h LYS 44 CO -0.09 -0.21 0.19 0.00 -0.57 0.00 0.00 179.45 178.78 1u4a h ALA 45 N 0.18 2.15 0.01 3.86 0.00 -1.23 0.11 119.26 124.34 1u4a h ALA 45 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1u4a h ALA 45 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1u4a h ALA 45 CO 0.07 -0.22 -0.00 -0.92 0.00 0.00 0.00 179.25 178.17 1u4a h TYR 46 N 0.08 -0.01 -0.68 0.00 3.20 -0.57 -2.50 116.97 116.50 1u4a h TYR 46 Ca 0.13 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1u4a h TYR 46 Cb 0.40 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 1u4a h TYR 46 CO -0.00 0.62 0.45 1.03 -1.64 0.00 0.00 178.16 178.62 1u4a h SER 47 N -0.99 0.71 -0.15 -2.11 0.87 -0.36 -2.13 113.55 109.38 1u4a h SER 47 Ca -0.00 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 1u4a h SER 47 Cb 0.63 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1u4a h SER 47 CO 0.00 0.49 -0.58 -0.33 -0.53 0.00 0.00 176.83 175.88 1u4a h GLU 48 N 0.82 0.66 -0.71 2.24 5.08 -0.90 -2.19 114.58 119.57 1u4a h GLU 48 Ca 0.27 -0.51 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1u4a h GLU 48 Cb 0.07 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1u4a h GLU 48 CO -0.08 1.13 0.46 0.00 -1.00 0.00 0.00 179.01 179.53 1u4a h ARG 49 N 0.34 0.91 0.00 2.33 3.08 -0.99 -3.34 114.38 116.70 1u4a h ARG 49 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1u4a h ARG 49 Cb 1.21 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1u4a h ARG 49 CO 0.12 0.60 0.00 1.04 -1.07 0.00 0.00 179.97 180.66 1u4a n GLN 50 N -4.61 0.00 0.00 0.04 1.13 -0.84 -5.01 117.38 108.08 1u4a n GLN 50 Ca 0.07 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 1u4a n GLN 50 Cb 0.04 -0.89 0.00 0.00 0.11 0.00 0.00 30.24 29.50 1u4a n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u4a n GLY 51 N 1.09 0.00 0.00 1.08 0.00 -1.02 -5.12 105.19 101.22 1u4a n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u4a n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u4a n LEU 52 N 0.00 0.00 -4.52 0.99 7.99 -0.86 -5.08 117.00 115.53 1u4a n LEU 52 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.76 1u4a n LEU 52 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1u4a n LEU 52 CO 0.00 -0.34 -0.43 -0.55 -1.51 0.00 0.00 177.39 174.56 1u4a s SER 53 N -1.00 3.90 -0.27 -1.43 0.15 -1.26 -4.86 113.70 108.92 1u4a s SER 53 Ca 0.00 -0.88 0.06 0.00 0.70 0.00 0.00 55.95 55.83 1u4a s SER 53 Cb 0.00 -0.48 0.55 0.00 -1.71 0.00 0.00 66.02 64.38 1u4a s SER 53 CO 0.00 0.04 1.58 0.80 1.20 0.00 0.00 173.24 176.86 1u4a n MET 54 N -0.61 2.78 -0.23 5.44 1.56 -1.26 -3.91 117.12 120.89 1u4a n MET 54 Ca -0.06 -2.30 0.00 0.00 -0.27 0.00 0.00 57.70 55.07 1u4a n MET 54 Cb 0.59 -1.97 0.00 0.00 2.15 0.00 0.00 33.22 34.00 1u4a n MET 54 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1u4a n ARG 55 N -0.23 0.04 -2.75 2.12 0.63 -1.26 -4.96 116.66 110.26 1u4a n ARG 55 Ca 0.35 -0.76 -0.05 0.00 -0.92 0.00 0.00 57.85 56.47 1u4a n ARG 55 Cb 1.21 -0.51 0.02 0.00 0.45 0.00 0.00 32.46 33.62 1u4a n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u4a n GLN 56 N -0.02 0.57 -3.89 -0.14 10.64 -1.25 -5.15 117.38 118.14 1u4a n GLN 56 Ca 0.00 -1.91 -0.09 0.00 -1.83 0.00 0.00 57.00 53.17 1u4a n GLN 56 Cb 0.59 -1.40 -0.08 0.00 -0.86 0.00 0.00 30.24 28.49 1u4a n GLN 56 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1u4a s ILE 57 N 0.83 0.14 -0.25 -0.39 -1.09 -1.26 -4.71 121.20 114.47 1u4a s ILE 57 Ca 0.30 -1.13 -0.14 0.00 -2.23 0.00 0.00 60.65 57.45 1u4a s ILE 57 Cb 0.06 -1.12 0.07 0.00 -1.58 0.00 0.00 42.46 39.89 1u4a s ILE 57 CO -0.10 -0.62 0.60 -0.60 -1.23 0.00 0.00 174.94 172.99 1u4a s ARG 58 N -3.18 0.61 0.05 2.79 3.52 -0.73 -4.97 118.95 117.04 1u4a s ARG 58 Ca -0.00 1.09 0.01 0.00 -0.13 0.00 0.00 55.73 56.70 1u4a s ARG 58 Cb 0.02 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 1u4a s ARG 58 CO -0.07 -0.15 0.12 -0.06 -0.81 0.00 0.00 175.30 174.33 1u4a s PHE 59 N 1.54 3.32 -0.10 5.12 0.40 -1.02 0.50 117.98 127.75 1u4a s PHE 59 Ca -0.10 0.18 -0.04 0.00 -0.60 0.00 0.00 56.93 56.37 1u4a s PHE 59 Cb -0.06 -1.70 0.05 0.00 0.51 0.00 0.00 43.02 41.82 1u4a s PHE 59 CO -0.17 0.56 0.21 1.03 0.70 0.00 0.00 175.22 177.55 1u4a s ARG 60 N -2.21 0.15 -0.58 0.44 0.52 0.93 -0.90 118.95 117.30 1u4a s ARG 60 Ca 0.29 0.53 -0.16 0.00 -0.52 0.00 0.00 55.73 55.87 1u4a s ARG 60 Cb -0.12 -0.14 0.14 0.00 0.52 0.00 0.00 34.95 35.35 1u4a s ARG 60 CO 0.21 -0.20 0.53 0.12 0.02 0.00 0.00 175.30 175.98 1u4a s PHE 61 N 1.56 3.32 -1.46 -0.53 5.36 -0.68 0.16 117.98 125.70 1u4a s PHE 61 Ca -0.06 -1.39 -0.09 0.00 -0.96 0.00 0.00 56.93 54.43 1u4a s PHE 61 Cb -0.11 -3.80 0.04 0.00 -0.34 0.00 0.00 43.02 38.81 1u4a s PHE 61 CO -0.08 -1.02 0.84 -0.25 -1.46 0.00 0.00 175.22 173.26 1u4a n ASP 62 N 5.08 -5.54 0.00 6.13 9.92 -1.26 -1.99 116.55 128.89 1u4a n ASP 62 Ca -0.10 -0.49 0.00 0.00 -0.53 0.00 0.00 54.79 53.67 1u4a n ASP 62 Cb 0.41 -4.44 0.00 0.00 -0.64 0.00 0.00 41.12 36.45 1u4a n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u4a n GLY 63 N -1.65 0.85 3.12 0.44 0.00 -1.26 -5.06 105.19 101.62 1u4a n GLY 63 Ca -0.03 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1u4a n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u4a s GLN 64 N -1.93 2.27 -0.24 1.61 -0.21 -0.84 -5.08 119.66 115.24 1u4a s GLN 64 Ca 0.00 -1.37 -0.36 0.00 0.02 0.00 0.00 55.36 53.65 1u4a s GLN 64 Cb 0.00 -3.09 -0.12 0.00 1.00 0.00 0.00 33.01 30.80 1u4a s GLN 64 CO 0.00 -0.65 1.98 -2.30 -2.12 0.00 0.00 175.29 172.21 1u4a n PRO 65 N 4.52 1.51 -3.98 2.91 -0.02 -1.26 -1.69 135.00 136.99 1u4a n PRO 65 Ca -0.12 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1u4a n PRO 65 Cb 0.43 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 1u4a n PRO 65 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1u4a s ILE 66 N 5.39 0.18 0.53 4.25 -4.36 -0.08 -4.96 121.20 122.14 1u4a s ILE 66 Ca 1.01 -0.77 0.03 0.00 -0.26 0.00 0.00 60.65 60.66 1u4a s ILE 66 Cb -0.83 -0.28 0.03 0.00 1.25 0.00 0.00 42.46 42.63 1u4a s ILE 66 CO 0.53 -0.38 0.74 0.20 0.24 0.00 0.00 174.94 176.27 1u4a s ASN 67 N -1.19 5.32 -0.05 4.36 -0.87 -1.26 -2.44 114.94 118.81 1u4a s ASN 67 Ca -0.12 -0.14 0.02 0.00 -1.57 0.00 0.00 52.86 51.05 1u4a s ASN 67 Cb -0.08 -0.76 0.12 0.00 -0.02 0.00 0.00 41.25 40.51 1u4a s ASN 67 CO -0.01 -1.09 0.86 -1.84 -2.57 0.00 0.00 177.10 172.46 1u4a n GLU 68 N -2.25 1.46 -0.09 -0.60 0.00 -1.26 -3.39 120.64 114.50 1u4a n GLU 68 Ca 0.08 -0.48 0.03 0.00 0.00 0.00 0.00 57.16 56.79 1u4a n GLU 68 Cb 0.60 -1.46 0.08 0.00 0.00 0.00 0.00 31.44 30.66 1u4a n GLU 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1u4a n THR 69 N 0.15 1.18 -0.89 3.84 -2.24 -1.26 0.10 114.28 115.17 1u4a n THR 69 Ca 0.06 -1.20 -0.29 0.00 -2.27 0.00 0.00 64.05 60.36 1u4a n THR 69 Cb 0.51 0.37 0.21 0.00 -2.10 0.00 0.00 70.33 69.31 1u4a n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u4a s ASP 70 N -1.27 1.99 0.15 3.42 2.15 -1.22 -4.73 116.67 117.17 1u4a s ASP 70 Ca 0.14 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.51 1u4a s ASP 70 Cb 0.09 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 1u4a s ASP 70 CO 0.06 -3.55 0.00 0.35 -0.17 0.00 0.00 175.17 171.85 1u4a n THR 71 N -4.48 0.00 -0.20 1.71 -2.24 -1.26 -1.88 114.28 105.93 1u4a n THR 71 Ca 0.05 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.83 1u4a n THR 71 Cb 0.56 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.88 1u4a n THR 71 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1u4a h PRO 72 N 0.00 0.13 -0.55 -0.78 0.11 -1.97 -0.35 132.00 128.58 1u4a h PRO 72 Ca 0.00 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1u4a h PRO 72 Cb 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1u4a h PRO 72 CO 0.00 0.09 0.06 0.00 -0.21 0.00 0.00 178.00 177.93 1u4a h ALA 73 N 1.54 1.07 -0.46 -0.75 0.00 -2.00 -2.34 119.26 116.32 1u4a h ALA 73 Ca 0.31 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1u4a h ALA 73 Cb 0.50 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1u4a h ALA 73 CO -0.50 0.60 0.31 0.37 0.00 0.00 0.00 179.25 180.02 1u4a h GLN 74 N 0.84 0.41 0.04 0.00 5.75 -1.45 -1.20 115.11 119.49 1u4a h GLN 74 Ca 0.17 -0.02 -0.22 0.00 -0.15 0.00 0.00 58.65 58.42 1u4a h GLN 74 Cb 0.42 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1u4a h GLN 74 CO 0.01 0.27 -1.01 1.25 -2.65 0.00 0.00 178.83 176.70 1u4a h LEU 75 N 0.42 0.22 -1.03 -2.39 6.46 -0.86 -3.26 115.31 114.87 1u4a h LEU 75 Ca 0.19 -0.21 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1u4a h LEU 75 Cb 0.24 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.04 1u4a h LEU 75 CO -0.05 1.10 0.65 -0.08 -0.62 0.00 0.00 178.44 179.44 1u4a h GLU 76 N 0.06 1.21 -7.29 1.25 4.81 -0.72 -3.43 114.58 110.48 1u4a h GLU 76 Ca -0.06 -0.07 -0.42 0.00 -0.13 0.00 0.00 59.36 58.68 1u4a h GLU 76 Cb 1.71 -0.27 0.19 0.00 0.63 0.00 0.00 28.75 31.01 1u4a h GLU 76 CO 0.15 0.80 0.08 -1.64 -0.73 0.00 0.00 179.01 177.67 1u4a s MET 77 N -6.06 -1.30 0.03 1.92 -1.94 -1.02 -5.04 119.30 105.89 1u4a s MET 77 Ca -0.13 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.01 1u4a s MET 77 Cb 0.19 -1.57 0.00 0.00 2.01 0.00 0.00 34.83 35.46 1u4a s MET 77 CO 0.81 -3.81 0.00 -0.85 -0.01 0.00 0.00 175.02 171.17 1u4a n GLU 78 N -4.87 0.00 0.18 2.03 0.28 -1.26 -5.03 120.64 111.96 1u4a n GLU 78 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1u4a n GLU 78 Cb 0.59 -0.41 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1u4a n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1u4a n ASP 79 N -3.06 -3.16 -4.64 -1.84 8.00 -1.26 -4.70 116.55 105.89 1u4a n ASP 79 Ca 0.00 0.68 -0.43 0.00 0.71 0.00 0.00 54.79 55.75 1u4a n ASP 79 Cb 0.31 3.06 -0.02 0.00 -0.02 0.00 0.00 41.12 44.45 1u4a n ASP 79 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1u4a s GLU 80 N -2.00 4.04 0.02 -1.24 2.56 -1.26 -1.39 118.70 119.43 1u4a s GLU 80 Ca 0.00 1.45 -0.27 0.00 0.00 0.00 0.00 54.97 56.15 1u4a s GLU 80 Cb 0.00 -3.85 0.06 0.00 2.00 0.00 0.00 34.13 32.35 1u4a s GLU 80 CO 0.00 -0.96 0.62 0.34 -0.56 0.00 0.00 175.26 174.69 1u4a s ASP 81 N 2.57 -0.58 0.02 -1.70 2.15 -1.14 -5.03 116.67 112.97 1u4a s ASP 81 Ca 0.57 0.43 0.01 0.00 0.43 0.00 0.00 52.55 53.99 1u4a s ASP 81 Cb -0.19 0.54 -0.01 0.00 -0.30 0.00 0.00 42.92 42.95 1u4a s ASP 81 CO 0.20 -0.71 -0.05 0.42 -0.17 0.00 0.00 175.17 174.87 1u4a s THR 82 N -2.01 0.30 0.04 1.71 -4.23 -1.26 -2.07 115.64 108.12 1u4a s THR 82 Ca -0.07 -0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1u4a s THR 82 Cb -0.01 -0.35 -0.00 0.00 1.34 0.00 0.00 72.50 73.48 1u4a s THR 82 CO 0.02 -0.22 0.15 0.27 -0.54 0.00 0.00 174.62 174.31 1u4a s ILE 83 N -0.83 0.12 -0.18 2.99 -5.25 -1.17 -4.56 121.20 112.32 1u4a s ILE 83 Ca -0.07 -0.96 0.00 0.00 -0.99 0.00 0.00 60.65 58.64 1u4a s ILE 83 Cb -0.06 -0.86 0.01 0.00 2.95 0.00 0.00 42.46 44.50 1u4a s ILE 83 CO -0.00 -0.53 -0.17 -0.62 -1.79 0.00 0.00 174.94 171.82 1u4a s ASP 84 N -2.04 3.36 -0.40 4.36 -1.08 0.12 -0.94 116.67 120.05 1u4a s ASP 84 Ca -0.06 -0.59 -0.19 0.00 -0.52 0.00 0.00 52.55 51.20 1u4a s ASP 84 Cb -0.02 -1.52 0.01 0.00 -1.46 0.00 0.00 42.92 39.93 1u4a s ASP 84 CO -0.04 0.02 0.53 0.54 0.52 0.00 0.00 175.17 176.74 1u4a s VAL 85 N 1.21 4.98 0.07 1.11 0.11 -1.13 -0.05 120.40 126.70 1u4a s VAL 85 Ca 0.03 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 1u4a s VAL 85 Cb -0.14 -4.07 -0.05 0.00 -1.53 0.00 0.00 36.38 30.59 1u4a s VAL 85 CO -0.09 -0.42 0.34 -0.36 -3.33 0.00 0.00 175.10 171.24 1u4a s PHE 86 N 2.45 3.55 -0.26 1.54 0.40 0.18 -2.79 117.98 123.05 1u4a s PHE 86 Ca 0.18 0.64 0.01 0.00 -0.60 0.00 0.00 56.93 57.16 1u4a s PHE 86 Cb -0.16 -2.05 0.07 0.00 0.51 0.00 0.00 43.02 41.40 1u4a s PHE 86 CO 0.15 0.53 -0.03 -0.65 0.70 0.00 0.00 175.22 175.93 1u4a s GLN 87 N -2.05 1.57 0.33 0.44 1.11 -1.26 -1.78 119.66 118.01 1u4a s GLN 87 Ca 0.33 -1.14 0.10 0.00 0.01 0.00 0.00 55.36 54.66 1u4a s GLN 87 Cb -0.13 -2.64 -0.06 0.00 -1.01 0.00 0.00 33.01 29.17 1u4a s GLN 87 CO 0.19 -0.68 -0.09 -0.65 0.01 0.00 0.00 175.29 174.08 1u4a s GLN 88 N 1.33 1.87 0.00 2.91 1.11 -1.26 -5.08 119.66 120.54 1u4a s GLN 88 Ca -0.03 -1.84 0.00 0.00 0.01 0.00 0.00 55.36 53.51 1u4a s GLN 88 Cb -0.19 -1.79 0.00 0.00 -1.01 0.00 0.00 33.01 30.02 1u4a s GLN 88 CO -0.08 0.19 0.00 1.04 0.01 0.00 0.00 175.29 176.44 1u4a n GLN 89 N -0.80 0.00 -3.36 2.91 6.02 -1.26 -4.86 117.38 116.03 1u4a n GLN 89 Ca -0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.82 1u4a n GLN 89 Cb 0.62 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.80 1u4a n GLN 89 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u4a s THR 90 N -0.96 -0.53 -0.44 5.09 2.01 -1.26 -5.12 115.64 114.43 1u4a s THR 90 Ca 0.00 -0.31 -0.26 0.00 0.31 0.00 0.00 61.69 61.43 1u4a s THR 90 Cb 0.00 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1u4a s THR 90 CO 0.00 -0.32 0.96 -0.83 -0.69 0.00 0.00 174.62 173.74 1u4a s GLY 91 N 2.47 1.47 0.00 4.40 0.00 -1.26 -5.34 107.32 109.06 1u4a s GLY 91 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1u4a s GLY 91 CO -0.28 2.09 0.12 0.61 0.00 0.00 0.00 173.10 175.64