#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 2.98 -0.04 6.41 2.15 -1.26 -5.18 116.67 121.74 1u4a s ASP 15 Ca 0.00 -1.72 -0.15 0.00 0.43 0.00 0.00 52.55 51.11 1u4a s ASP 15 Cb 0.00 0.58 0.03 0.00 -0.30 0.00 0.00 42.92 43.23 1u4a s ASP 15 CO 0.00 -0.97 0.33 -1.00 -0.17 0.00 0.00 175.17 173.36 1u4a s HIS 16 N -3.16 -0.23 -0.24 -5.34 3.76 -1.26 -4.78 115.29 104.03 1u4a s HIS 16 Ca 0.21 0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 55.42 1u4a s HIS 16 Cb 0.02 0.11 -0.05 0.00 1.11 0.00 0.00 32.58 33.77 1u4a s HIS 16 CO 0.14 -0.36 0.22 0.96 -0.85 0.00 0.00 174.74 174.85 1u4a s ILE 17 N -1.05 5.31 -0.65 0.60 -4.36 -0.44 -4.79 121.20 115.81 1u4a s ILE 17 Ca -0.11 0.29 -0.25 0.00 -0.26 0.00 0.00 60.65 60.32 1u4a s ILE 17 Cb -0.05 -3.56 0.04 0.00 1.25 0.00 0.00 42.46 40.15 1u4a s ILE 17 CO 0.04 0.30 1.10 0.20 0.24 0.00 0.00 174.94 176.82 1u4a s ASN 18 N 1.21 6.24 -0.15 4.36 0.01 -1.20 -3.09 114.94 122.32 1u4a s ASN 18 Ca 0.10 -0.52 -0.03 0.00 -0.71 0.00 0.00 52.86 51.70 1u4a s ASN 18 Cb -0.14 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1u4a s ASN 18 CO 0.06 -1.54 -0.05 -0.76 -1.51 0.00 0.00 177.10 173.30 1u4a s LEU 19 N 4.76 3.17 -0.76 0.60 1.02 -1.06 -2.86 118.68 123.55 1u4a s LEU 19 Ca 0.31 -0.16 -0.16 0.00 0.02 0.00 0.00 54.13 54.14 1u4a s LEU 19 Cb -0.12 -1.76 0.16 0.00 0.02 0.00 0.00 46.19 44.50 1u4a s LEU 19 CO 0.16 0.17 0.79 -0.54 0.02 0.00 0.00 176.35 176.95 1u4a s LYS 20 N 0.35 3.40 -0.19 1.70 3.01 -0.55 -2.38 119.74 125.07 1u4a s LYS 20 Ca -0.05 -1.97 -0.27 0.00 -1.01 0.00 0.00 55.97 52.68 1u4a s LYS 20 Cb -0.14 -4.48 -0.01 0.00 -1.01 0.00 0.00 37.83 32.19 1u4a s LYS 20 CO 0.03 -1.45 0.91 0.08 0.51 0.00 0.00 175.35 175.43 1u4a s VAL 21 N 1.43 4.81 -0.26 3.17 1.01 -0.99 -1.44 120.40 128.13 1u4a s VAL 21 Ca 0.18 1.78 -0.07 0.00 0.00 0.00 0.00 61.98 63.87 1u4a s VAL 21 Cb -0.15 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1u4a s VAL 21 CO -0.04 -0.04 0.06 0.00 0.00 0.00 0.00 175.10 175.07 1u4a s ALA 22 N 2.51 3.07 0.04 5.51 0.00 -0.16 -2.35 121.76 130.38 1u4a s ALA 22 Ca 0.41 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 1u4a s ALA 22 Cb -0.16 -2.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.85 1u4a s ALA 22 CO 0.11 -0.63 0.55 0.20 0.00 0.00 0.00 175.76 175.99 1u4a s GLY 23 N 1.55 2.62 0.22 0.00 0.00 0.89 -0.14 107.32 112.47 1u4a s GLY 23 Ca 0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 1u4a s GLY 23 CO 0.02 0.52 1.81 -1.61 0.00 0.00 0.00 173.10 173.85 1u4a h GLN 24 N 4.96 0.71 -0.03 2.90 4.15 -1.77 -1.11 115.11 124.92 1u4a h GLN 24 Ca -0.48 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 58.90 1u4a h GLN 24 Cb 1.21 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 1u4a h GLN 24 CO 0.65 0.47 0.02 0.22 -1.93 0.00 0.00 178.83 178.27 1u4a h ASP 25 N 0.74 0.00 0.00 -0.69 3.58 -1.94 -3.45 116.42 114.66 1u4a h ASP 25 Ca 0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1u4a h ASP 25 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1u4a h ASP 25 CO -0.19 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.78 1u4a n GLY 26 N -1.46 0.66 2.69 -0.78 0.00 -0.43 -5.14 105.19 100.74 1u4a n GLY 26 Ca -0.02 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1u4a n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u4a s SER 27 N 0.00 3.48 -0.54 1.61 1.04 -1.16 -4.95 113.70 113.18 1u4a s SER 27 Ca 0.00 -1.25 -0.06 0.00 0.48 0.00 0.00 55.95 55.13 1u4a s SER 27 Cb 0.00 -0.64 0.14 0.00 0.10 0.00 0.00 66.02 65.62 1u4a s SER 27 CO 0.00 -0.38 0.38 -0.69 0.98 0.00 0.00 173.24 173.53 1u4a s VAL 28 N 1.82 3.91 -0.05 5.02 1.01 -1.26 -0.07 120.40 130.78 1u4a s VAL 28 Ca 0.06 -2.32 0.05 0.00 0.00 0.00 0.00 61.98 59.77 1u4a s VAL 28 Cb -0.17 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1u4a s VAL 28 CO -0.21 -0.81 -0.22 -0.69 0.00 0.00 0.00 175.10 173.17 1u4a s VAL 29 N 0.71 2.39 -0.96 2.92 1.01 -0.99 -4.99 120.40 120.48 1u4a s VAL 29 Ca 0.11 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 1u4a s VAL 29 Cb -0.22 -1.89 0.18 0.00 0.00 0.00 0.00 36.38 34.46 1u4a s VAL 29 CO -0.03 0.57 1.06 -1.58 0.00 0.00 0.00 175.10 175.12 1u4a s GLN 30 N -0.37 3.75 0.08 2.72 0.74 -1.26 -2.35 119.66 122.97 1u4a s GLN 30 Ca 0.03 -2.30 -0.15 0.00 0.05 0.00 0.00 55.36 52.99 1u4a s GLN 30 Cb -0.12 -4.74 -0.06 0.00 1.10 0.00 0.00 33.01 29.18 1u4a s GLN 30 CO 0.02 -1.55 0.50 -0.06 -0.55 0.00 0.00 175.29 173.64 1u4a s PHE 31 N 1.21 3.69 -0.06 1.67 0.08 -1.00 -4.86 117.98 118.71 1u4a s PHE 31 Ca 0.29 1.06 0.04 0.00 0.12 0.00 0.00 56.93 58.44 1u4a s PHE 31 Cb -0.07 -2.35 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1u4a s PHE 31 CO -0.08 0.54 -0.15 -1.59 -0.10 0.00 0.00 175.22 173.85 1u4a s LYS 32 N -1.48 2.58 0.34 0.44 -2.85 -1.26 -2.56 119.74 114.96 1u4a s LYS 32 Ca 0.31 -0.71 0.03 0.00 -1.00 0.00 0.00 55.97 54.59 1u4a s LYS 32 Cb -0.17 -2.38 -0.01 0.00 -2.06 0.00 0.00 37.83 33.21 1u4a s LYS 32 CO 0.17 0.57 0.39 0.44 0.10 0.00 0.00 175.35 177.02 1u4a n ILE 33 N 2.47 0.00 -3.03 3.79 -6.64 -1.18 -4.90 119.36 109.87 1u4a n ILE 33 Ca -0.17 -2.12 -0.34 0.00 -1.77 0.00 0.00 62.75 58.35 1u4a n ILE 33 Cb 0.52 1.16 -0.06 0.00 -1.44 0.00 0.00 39.64 39.82 1u4a n ILE 33 CO 0.00 0.00 0.00 -1.59 -1.77 0.00 0.00 176.55 173.19 1u4a s LYS 34 N -3.08 4.14 -0.23 6.28 -2.85 -1.26 -1.33 119.74 121.41 1u4a s LYS 34 Ca 0.35 0.86 0.03 0.00 -1.00 0.00 0.00 55.97 56.21 1u4a s LYS 34 Cb 0.00 -2.47 0.38 0.00 -2.06 0.00 0.00 37.83 33.68 1u4a s LYS 34 CO 0.25 0.16 1.45 2.89 0.10 0.00 0.00 175.35 180.20 1u4a n ARG 35 N -0.18 1.92 -0.84 1.78 -4.01 -1.26 -4.00 116.66 110.06 1u4a n ARG 35 Ca 0.03 -1.66 0.05 0.00 -1.04 0.00 0.00 57.85 55.23 1u4a n ARG 35 Cb 0.53 -1.69 0.15 0.00 -3.04 0.00 0.00 32.46 28.40 1u4a n ARG 35 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1u4a n HIS 36 N -0.29 0.00 -3.71 2.89 8.25 -1.26 -4.77 115.22 116.34 1u4a n HIS 36 Ca 0.30 -1.15 -0.14 0.00 -0.26 0.00 0.00 57.72 56.47 1u4a n HIS 36 Cb 1.09 -0.21 -0.08 0.00 1.12 0.00 0.00 29.99 31.91 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 -2.20 0.05 0.73 1.59 -4.23 -1.26 -5.17 115.64 105.16 1u4a s THR 37 Ca 0.36 -0.44 -0.13 0.00 -1.18 0.00 0.00 61.69 60.29 1u4a s THR 37 Cb 0.37 -0.78 0.04 0.00 1.34 0.00 0.00 72.50 73.46 1u4a s THR 37 CO -0.09 -0.24 1.12 -2.16 -0.54 0.00 0.00 174.62 172.70 1u4a s PRO 38 N -1.73 2.36 0.63 3.99 0.04 -1.26 -4.89 135.00 134.15 1u4a s PRO 38 Ca -0.10 1.40 0.35 0.00 0.04 0.00 0.00 61.00 62.69 1u4a s PRO 38 Cb -0.03 -1.89 1.98 0.00 0.04 0.00 0.00 34.50 34.59 1u4a s PRO 38 CO 0.02 -1.59 2.20 -0.07 0.04 0.00 0.00 177.00 177.60 1u4a h LEU 39 N -0.54 0.00 -1.39 -3.56 3.38 -1.76 -1.87 115.31 109.57 1u4a h LEU 39 Ca -0.46 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.76 1u4a h LEU 39 Cb 1.25 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.91 1u4a h LEU 39 CO 0.51 0.00 0.65 -1.28 0.09 0.00 0.00 178.44 178.42 1u4a h SER 40 N 0.00 0.45 -0.11 -0.43 0.87 -1.81 0.36 113.55 112.88 1u4a h SER 40 Ca 0.02 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1u4a h SER 40 Cb 0.26 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1u4a h SER 40 CO -0.00 0.11 -0.18 0.50 -0.53 0.00 0.00 176.83 176.73 1u4a h LYS 41 N 0.41 0.31 0.23 2.24 3.11 -1.65 -1.45 116.57 119.77 1u4a h LYS 41 Ca 0.57 -0.19 -0.01 0.00 -2.81 0.00 0.00 60.65 58.20 1u4a h LYS 41 Cb 1.41 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.66 1u4a h LYS 41 CO -0.27 0.77 -0.11 1.25 -2.81 0.00 0.00 179.45 178.28 1u4a h LEU 42 N -0.12 -0.27 -1.46 5.20 6.46 -1.10 -2.51 115.31 121.51 1u4a h LEU 42 Ca 0.01 -0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1u4a h LEU 42 Cb 0.75 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1u4a h LEU 42 CO 0.04 -0.08 0.41 0.00 -0.62 0.00 0.00 178.44 178.19 1u4a h MET 43 N -0.45 0.67 0.87 1.25 -0.00 -0.47 0.47 114.93 117.27 1u4a h MET 43 Ca -0.03 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.70 59.59 1u4a h MET 43 Cb 0.34 -0.15 0.01 0.00 -0.00 0.00 0.00 31.60 31.79 1u4a h MET 43 CO 0.05 0.44 -0.44 0.87 -0.00 0.00 0.00 176.91 177.84 1u4a h LYS 44 N 0.69 -1.15 -0.50 -0.10 1.79 -1.01 0.18 116.57 116.47 1u4a h LYS 44 Ca 0.25 0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.75 1u4a h LYS 44 Cb 0.13 0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1u4a h LYS 44 CO -0.07 -0.76 0.12 0.00 -1.08 0.00 0.00 179.45 177.66 1u4a h ALA 45 N -1.07 0.66 -0.17 3.86 0.00 -1.25 0.33 119.26 121.63 1u4a h ALA 45 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1u4a h ALA 45 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1u4a h ALA 45 CO 0.18 0.35 0.11 -0.92 0.00 0.00 0.00 179.25 178.97 1u4a h TYR 46 N 0.69 0.21 -0.05 0.00 3.20 -0.88 0.36 116.97 120.50 1u4a h TYR 46 Ca 0.16 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.84 1u4a h TYR 46 Cb 0.33 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1u4a h TYR 46 CO 0.02 0.14 -0.80 0.77 -1.64 0.00 0.00 178.16 176.65 1u4a h SER 47 N 0.22 0.45 0.01 -2.11 0.02 -0.58 -3.00 113.55 108.56 1u4a h SER 47 Ca 0.06 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1u4a h SER 47 Cb -0.02 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1u4a h SER 47 CO -0.01 1.08 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.68 1u4a h GLU 48 N 0.24 -0.01 -0.79 3.45 4.81 -0.15 -0.49 114.58 121.63 1u4a h GLU 48 Ca -0.04 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1u4a h GLU 48 Cb 1.40 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.72 1u4a h GLU 48 CO 0.13 0.44 0.52 0.00 -0.73 0.00 0.00 179.01 179.37 1u4a h ARG 49 N -0.46 0.69 0.26 1.92 3.08 -0.37 -2.85 114.38 116.65 1u4a h ARG 49 Ca -0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1u4a h ARG 49 Cb 0.45 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1u4a h ARG 49 CO 0.00 0.46 -0.12 1.96 -1.07 0.00 0.00 179.97 181.20 1u4a h GLN 50 N 0.71 -0.33 0.00 0.04 4.20 -1.48 -3.48 115.11 114.76 1u4a h GLN 50 Ca 0.37 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1u4a h GLN 50 Cb 0.47 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1u4a h GLN 50 CO -0.14 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.45 1u4a n GLY 51 N 0.27 0.39 2.89 3.46 0.00 -0.66 -5.12 105.19 106.42 1u4a n GLY 51 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.90 0.99 7.99 -0.28 -4.95 117.00 115.85 1u4a n LEU 52 Ca 0.00 -0.84 -0.22 0.00 -0.01 0.00 0.00 56.01 54.94 1u4a n LEU 52 Cb 0.00 -0.89 -0.01 0.00 -0.11 0.00 0.00 43.42 42.41 1u4a n LEU 52 CO 0.00 -2.54 0.05 -0.44 -1.51 0.00 0.00 177.39 172.95 1u4a s SER 53 N -3.25 4.91 -0.33 -1.43 0.01 -1.26 -4.38 113.70 107.96 1u4a s SER 53 Ca 0.60 -0.92 0.09 0.00 1.31 0.00 0.00 55.95 57.03 1u4a s SER 53 Cb -0.09 -0.15 0.65 0.00 0.21 0.00 0.00 66.02 66.64 1u4a s SER 53 CO 0.49 -0.88 1.72 1.15 0.41 0.00 0.00 173.24 176.13 1u4a n MET 54 N -1.70 2.85 -0.16 12.44 0.00 -1.26 -4.32 117.12 124.98 1u4a n MET 54 Ca 0.03 -3.07 0.00 0.00 0.00 0.00 0.00 57.70 54.67 1u4a n MET 54 Cb 0.63 -2.08 0.00 0.00 0.00 0.00 0.00 33.22 31.77 1u4a n MET 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1u4a n ARG 55 N -0.66 0.17 -2.75 3.17 0.63 -1.26 -4.96 116.66 110.99 1u4a n ARG 55 Ca 0.42 -0.75 -0.05 0.00 -0.92 0.00 0.00 57.85 56.55 1u4a n ARG 55 Cb 1.33 -0.55 0.02 0.00 0.45 0.00 0.00 32.46 33.71 1u4a n ARG 55 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1u4a n GLN 56 N -0.06 0.57 -3.81 -0.14 7.27 -1.26 -5.15 117.38 114.81 1u4a n GLN 56 Ca 0.00 -1.93 -0.09 0.00 0.07 0.00 0.00 57.00 55.06 1u4a n GLN 56 Cb 0.55 -1.41 -0.06 0.00 2.41 0.00 0.00 30.24 31.73 1u4a n GLN 56 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1u4a s ILE 57 N 0.83 0.11 -0.23 1.69 -1.09 -1.26 -4.77 121.20 116.48 1u4a s ILE 57 Ca 0.30 -1.03 -0.21 0.00 -2.23 0.00 0.00 60.65 57.48 1u4a s ILE 57 Cb 0.05 -1.37 0.06 0.00 -1.58 0.00 0.00 42.46 39.62 1u4a s ILE 57 CO -0.09 -0.50 0.60 0.00 -1.23 0.00 0.00 174.94 173.72 1u4a s ARG 58 N -3.86 0.70 0.29 2.79 1.04 -0.92 -4.76 118.95 114.23 1u4a s ARG 58 Ca 0.06 0.85 0.11 0.00 -1.04 0.00 0.00 55.73 55.71 1u4a s ARG 58 Cb 0.04 0.33 -0.05 0.00 -2.04 0.00 0.00 34.95 33.23 1u4a s ARG 58 CO -0.10 -0.09 -0.11 -0.06 -0.04 0.00 0.00 175.30 174.91 1u4a s PHE 59 N 0.37 2.45 -0.04 5.89 0.40 -1.19 0.44 117.98 126.29 1u4a s PHE 59 Ca -0.00 -0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1u4a s PHE 59 Cb -0.04 -1.13 0.03 0.00 0.51 0.00 0.00 43.02 42.38 1u4a s PHE 59 CO 0.00 0.66 0.00 1.03 0.70 0.00 0.00 175.22 177.61 1u4a s ARG 60 N -3.59 0.36 -0.69 0.44 1.81 0.42 -2.33 118.95 115.38 1u4a s ARG 60 Ca 0.31 0.10 -0.09 0.00 -1.72 0.00 0.00 55.73 54.33 1u4a s ARG 60 Cb -0.04 -0.60 0.18 0.00 -0.45 0.00 0.00 34.95 34.04 1u4a s ARG 60 CO 0.17 -0.18 0.57 0.12 -0.68 0.00 0.00 175.30 175.30 1u4a s PHE 61 N 1.28 3.56 -1.48 -0.53 5.36 -0.99 -1.65 117.98 123.54 1u4a s PHE 61 Ca -0.06 -2.27 -0.07 0.00 -0.96 0.00 0.00 56.93 53.57 1u4a s PHE 61 Cb -0.13 -3.52 0.02 0.00 -0.34 0.00 0.00 43.02 39.05 1u4a s PHE 61 CO -0.02 -0.93 0.80 -3.47 -1.46 0.00 0.00 175.22 170.14 1u4a n ASP 62 N 3.91 -5.85 0.00 6.13 2.03 -1.26 -2.11 116.55 119.40 1u4a n ASP 62 Ca 0.08 -0.42 0.00 0.00 0.52 0.00 0.00 54.79 54.97 1u4a n ASP 62 Cb 0.42 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 36.13 1u4a n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u4a n GLY 63 N -1.65 0.81 3.13 0.27 0.00 -1.26 -5.06 105.19 101.42 1u4a n GLY 63 Ca -0.05 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1u4a n GLY 63 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u4a s GLN 64 N -1.53 2.09 -0.80 1.61 2.00 -0.90 -5.04 119.66 117.09 1u4a s GLN 64 Ca 0.00 -1.61 -0.23 0.00 -2.00 0.00 0.00 55.36 51.52 1u4a s GLN 64 Cb 0.00 -3.37 -0.18 0.00 0.80 0.00 0.00 33.01 30.26 1u4a s GLN 64 CO 0.00 -0.87 2.39 -2.30 -0.50 0.00 0.00 175.29 174.01 1u4a n PRO 65 N 4.55 0.46 -4.03 1.67 -0.02 -1.26 -2.34 135.00 134.03 1u4a n PRO 65 Ca -0.06 -0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 60.71 1u4a n PRO 65 Cb 0.42 -2.73 -0.08 0.00 -0.02 0.00 0.00 33.50 31.09 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 10.06 4.95 0.58 4.25 -4.36 -0.98 -5.02 121.20 130.67 1u4a s ILE 66 Ca 1.09 0.01 -0.13 0.00 -0.26 0.00 0.00 60.65 61.36 1u4a s ILE 66 Cb -0.45 -3.17 -0.06 0.00 1.25 0.00 0.00 42.46 40.03 1u4a s ILE 66 CO 0.29 0.55 1.01 0.54 0.24 0.00 0.00 174.94 177.57 1u4a s ASN 67 N -0.40 6.38 -0.23 4.36 2.20 -1.26 -3.18 114.94 122.81 1u4a s ASN 67 Ca 0.10 1.48 -0.05 0.00 -0.94 0.00 0.00 52.86 53.45 1u4a s ASN 67 Cb -0.12 -2.49 -0.20 0.00 -2.00 0.00 0.00 41.25 36.45 1u4a s ASN 67 CO 0.02 -0.76 2.98 -1.84 -2.94 0.00 0.00 177.10 174.55 1u4a n GLU 68 N -2.28 1.87 -0.60 3.55 0.00 -1.26 -3.07 120.64 118.85 1u4a n GLU 68 Ca 0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 57.16 56.20 1u4a n GLU 68 Cb 0.54 -2.04 -0.03 0.00 0.00 0.00 0.00 31.44 29.92 1u4a n GLU 68 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1u4a n THR 69 N 2.80 0.00 -1.28 3.84 5.66 -1.26 -3.60 114.28 120.44 1u4a n THR 69 Ca 0.40 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 61.25 1u4a n THR 69 Cb 0.66 0.18 0.12 0.00 -1.55 0.00 0.00 70.33 69.73 1u4a n THR 69 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1u4a n ASP 70 N 0.00 -0.43 0.12 1.09 5.68 -1.18 -4.77 116.55 117.08 1u4a n ASP 70 Ca -0.10 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.05 1u4a n ASP 70 Cb 0.45 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1u4a n ASP 70 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1u4a n THR 71 N -3.20 0.00 -0.24 2.12 -2.24 -1.26 -2.30 114.28 107.16 1u4a n THR 71 Ca 0.09 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1u4a n THR 71 Cb 0.31 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.03 -0.03 -0.78 0.11 -1.97 0.75 132.00 130.05 1u4a h PRO 72 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1u4a h PRO 72 Cb 0.00 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1u4a h PRO 72 CO 0.00 -0.02 -0.00 0.00 -0.21 0.00 0.00 178.00 177.77 1u4a h ALA 73 N 1.59 0.04 0.00 -0.75 0.00 -2.00 -0.99 119.26 117.15 1u4a h ALA 73 Ca 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1u4a h ALA 73 Cb 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u4a h ALA 73 CO -0.73 -0.28 -0.03 0.37 0.00 0.00 0.00 179.25 178.58 1u4a h GLN 74 N -0.26 0.00 0.06 0.00 4.15 -1.68 -1.64 115.11 115.74 1u4a h GLN 74 Ca 0.01 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.19 1u4a h GLN 74 Cb 0.35 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1u4a h GLN 74 CO 0.00 0.03 -1.08 1.25 -1.93 0.00 0.00 178.83 177.10 1u4a h LEU 75 N 0.00 0.33 -0.05 -2.39 6.46 0.67 -3.32 115.31 117.01 1u4a h LEU 75 Ca -0.00 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.46 1u4a h LEU 75 Cb 0.06 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1u4a h LEU 75 CO 0.00 1.20 -0.03 -0.08 -0.62 0.00 0.00 178.44 178.91 1u4a h GLU 76 N 0.09 -0.03 -6.74 1.25 4.81 -0.20 -3.42 114.58 110.34 1u4a h GLU 76 Ca -0.09 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.66 1u4a h GLU 76 Cb 1.78 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.14 1u4a h GLU 76 CO 0.17 -0.02 0.14 -1.64 -0.73 0.00 0.00 179.01 176.93 1u4a s MET 77 N -6.19 4.13 -0.42 1.92 -1.94 -1.08 -5.01 119.30 110.70 1u4a s MET 77 Ca -0.13 0.81 0.05 0.00 -1.71 0.00 0.00 55.69 54.71 1u4a s MET 77 Cb 0.07 -2.54 0.31 0.00 2.01 0.00 0.00 34.83 34.69 1u4a s MET 77 CO 0.67 0.20 1.17 -1.91 -0.01 0.00 0.00 175.02 175.14 1u4a n GLU 78 N -0.07 0.75 0.01 2.03 2.13 -1.26 -4.89 120.64 119.35 1u4a n GLU 78 Ca 0.02 -1.57 0.00 0.00 0.66 0.00 0.00 57.16 56.28 1u4a n GLU 78 Cb 0.53 -0.83 0.00 0.00 0.27 0.00 0.00 31.44 31.41 1u4a n GLU 78 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1u4a n ASP 79 N 0.55 -0.16 -3.48 4.31 5.68 -1.26 -4.86 116.55 117.34 1u4a n ASP 79 Ca 0.03 0.49 -0.25 0.00 -0.50 0.00 0.00 54.79 54.56 1u4a n ASP 79 Cb 0.71 0.61 -0.13 0.00 -1.14 0.00 0.00 41.12 41.17 1u4a n ASP 79 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1u4a s GLU 80 N -1.95 0.34 -0.18 0.11 2.02 -1.25 -3.23 118.70 114.56 1u4a s GLU 80 Ca 0.00 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.32 1u4a s GLU 80 Cb 0.00 -1.05 0.04 0.00 0.10 0.00 0.00 34.13 33.23 1u4a s GLU 80 CO 0.00 -1.08 -0.06 0.34 0.02 0.00 0.00 175.26 174.47 1u4a s ASP 81 N 1.85 3.09 -0.09 -0.19 -1.08 -1.14 -5.04 116.67 114.07 1u4a s ASP 81 Ca 0.12 -0.78 -0.18 0.00 -0.52 0.00 0.00 52.55 51.18 1u4a s ASP 81 Cb -0.17 -1.01 -0.04 0.00 -1.46 0.00 0.00 42.92 40.23 1u4a s ASP 81 CO -0.24 -0.18 0.50 0.42 0.52 0.00 0.00 175.17 176.18 1u4a s THR 82 N 1.56 5.13 0.26 1.71 -4.23 -1.26 -1.48 115.64 117.33 1u4a s THR 82 Ca -0.01 1.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.55 1u4a s THR 82 Cb -0.16 -3.84 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 1u4a s THR 82 CO -0.08 0.35 0.01 -0.63 -0.54 0.00 0.00 174.62 173.73 1u4a s ILE 83 N 0.41 1.12 -0.24 2.99 1.09 -0.52 -4.51 121.20 121.54 1u4a s ILE 83 Ca 0.27 -2.04 -0.02 0.00 -1.10 0.00 0.00 60.65 57.76 1u4a s ILE 83 Cb -0.16 -2.48 0.08 0.00 -1.06 0.00 0.00 42.46 38.84 1u4a s ILE 83 CO 0.12 -0.23 0.06 -1.81 -0.10 0.00 0.00 174.94 172.98 1u4a s ASP 84 N -3.37 3.37 -0.38 3.58 1.01 -0.66 -0.99 116.67 119.24 1u4a s ASP 84 Ca 0.31 -1.14 -0.19 0.00 0.71 0.00 0.00 52.55 52.23 1u4a s ASP 84 Cb 0.06 -0.69 0.01 0.00 1.01 0.00 0.00 42.92 43.31 1u4a s ASP 84 CO 0.11 -0.35 0.57 0.54 0.21 0.00 0.00 175.17 176.25 1u4a s VAL 85 N 1.78 4.94 0.36 -1.27 0.11 0.80 -0.43 120.40 126.69 1u4a s VAL 85 Ca 0.03 0.26 0.07 0.00 -2.93 0.00 0.00 61.98 59.42 1u4a s VAL 85 Cb -0.17 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 30.59 1u4a s VAL 85 CO -0.16 -0.37 0.35 -0.36 -3.33 0.00 0.00 175.10 171.23 1u4a s PHE 86 N 2.56 2.87 -0.06 1.54 0.40 0.17 -2.23 117.98 123.24 1u4a s PHE 86 Ca 0.20 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.90 1u4a s PHE 86 Cb -0.15 -1.94 0.11 0.00 0.51 0.00 0.00 43.02 41.55 1u4a s PHE 86 CO 0.15 0.06 0.91 1.14 0.70 0.00 0.00 175.22 178.18 1u4a s GLN 87 N -4.07 0.76 -0.22 0.44 0.00 -1.26 -2.17 119.66 113.14 1u4a s GLN 87 Ca 0.44 -0.12 -0.04 0.00 -0.00 0.00 0.00 55.36 55.64 1u4a s GLN 87 Cb -0.06 0.35 0.02 0.00 0.00 0.00 0.00 33.01 33.32 1u4a s GLN 87 CO 0.28 -0.30 0.08 1.04 0.00 0.00 0.00 175.29 176.39 1u4a n GLN 88 N 0.14 -3.37 -3.79 9.60 1.13 -1.26 -5.01 117.38 114.82 1u4a n GLN 88 Ca -0.10 2.69 -0.20 0.00 -1.94 0.00 0.00 57.00 57.46 1u4a n GLN 88 Cb 0.60 -4.65 -0.05 0.00 0.11 0.00 0.00 30.24 26.25 1u4a n GLN 88 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1u4a n GLN 89 N 0.93 0.79 -2.08 -1.09 7.27 -1.26 -4.81 117.38 117.13 1u4a n GLN 89 Ca -0.14 -2.54 -0.18 0.00 0.07 0.00 0.00 57.00 54.21 1u4a n GLN 89 Cb 0.22 1.20 -0.03 0.00 2.41 0.00 0.00 30.24 34.04 1u4a n GLN 89 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1u4a n THR 90 N -0.73 -0.58 -2.61 1.69 -1.04 -1.26 -3.85 114.28 105.90 1u4a n THR 90 Ca -0.07 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1u4a n THR 90 Cb 0.45 -2.37 0.01 0.00 -1.82 0.00 0.00 70.33 66.59 1u4a n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u4a n GLY 91 N -0.93 -1.16 0.00 3.41 0.00 -1.26 -5.36 105.19 99.88 1u4a n GLY 91 Ca -0.20 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93