#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 4.66 -0.30 6.41 -1.08 -1.26 -5.08 116.67 120.02 1u4a s ASP 15 Ca 0.00 -0.18 -0.15 0.00 -0.52 0.00 0.00 52.55 51.71 1u4a s ASP 15 Cb 0.00 -1.76 0.15 0.00 -1.46 0.00 0.00 42.92 39.85 1u4a s ASP 15 CO 0.00 0.15 0.90 -1.00 0.52 0.00 0.00 175.17 175.74 1u4a s HIS 16 N 0.47 -0.79 -0.01 -5.34 3.76 -1.26 -4.92 115.29 107.19 1u4a s HIS 16 Ca -0.04 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.01 1u4a s HIS 16 Cb -0.14 0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.99 1u4a s HIS 16 CO 0.03 -0.39 0.95 0.96 -0.85 0.00 0.00 174.74 175.44 1u4a s ILE 17 N 2.12 4.88 -0.49 0.60 -4.36 -0.95 -4.94 121.20 118.06 1u4a s ILE 17 Ca -0.06 2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 62.17 1u4a s ILE 17 Cb -0.06 -4.29 0.08 0.00 1.25 0.00 0.00 42.46 39.43 1u4a s ILE 17 CO -0.17 0.16 0.45 0.20 0.24 0.00 0.00 174.94 175.82 1u4a s ASN 18 N 1.00 6.17 -0.12 4.36 0.01 -1.12 -3.21 114.94 122.02 1u4a s ASN 18 Ca 0.50 -1.30 -0.07 0.00 -0.71 0.00 0.00 52.86 51.28 1u4a s ASN 18 Cb -0.20 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 1u4a s ASN 18 CO 0.26 -0.72 0.15 -0.22 -1.51 0.00 0.00 177.10 175.06 1u4a s LEU 19 N 1.85 4.38 -0.37 0.60 0.20 -1.09 -3.37 118.68 120.88 1u4a s LEU 19 Ca 0.06 0.47 -0.05 0.00 0.69 0.00 0.00 54.13 55.31 1u4a s LEU 19 Cb -0.24 -2.09 0.07 0.00 -0.43 0.00 0.00 46.19 43.51 1u4a s LEU 19 CO 0.07 0.39 0.15 -0.54 -0.29 0.00 0.00 176.35 176.13 1u4a s LYS 20 N -0.93 2.37 -0.11 1.98 3.01 0.15 -2.26 119.74 123.94 1u4a s LYS 20 Ca 0.15 -1.48 -0.20 0.00 -1.01 0.00 0.00 55.97 53.43 1u4a s LYS 20 Cb -0.12 -3.51 -0.04 0.00 -1.01 0.00 0.00 37.83 33.15 1u4a s LYS 20 CO 0.04 -0.86 0.54 0.08 0.51 0.00 0.00 175.35 175.66 1u4a s VAL 21 N 1.29 5.14 -0.26 3.17 1.01 -0.62 -1.59 120.40 128.54 1u4a s VAL 21 Ca 0.02 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.08 1u4a s VAL 21 Cb -0.21 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1u4a s VAL 21 CO -0.01 0.30 -0.06 0.00 0.00 0.00 0.00 175.10 175.33 1u4a s ALA 22 N 0.73 2.69 0.36 5.51 0.00 0.18 -2.50 121.76 128.72 1u4a s ALA 22 Ca 0.29 -1.55 -0.24 0.00 0.00 0.00 0.00 51.96 50.46 1u4a s ALA 22 Cb -0.16 -1.70 -0.10 0.00 0.00 0.00 0.00 23.12 21.16 1u4a s ALA 22 CO 0.12 -0.93 0.95 0.20 0.00 0.00 0.00 175.76 176.10 1u4a s GLY 23 N 1.28 2.67 0.12 0.00 0.00 -0.22 0.30 107.32 111.46 1u4a s GLY 23 Ca -0.02 0.49 -0.23 0.00 0.00 0.00 0.00 44.72 44.96 1u4a s GLY 23 CO -0.04 0.88 1.68 -1.61 0.00 0.00 0.00 173.10 174.01 1u4a h GLN 24 N 2.76 -0.19 0.00 2.90 4.15 -1.72 -1.44 115.11 121.56 1u4a h GLN 24 Ca -0.47 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 1u4a h GLN 24 Cb 1.19 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 1u4a h GLN 24 CO 0.64 -0.13 -0.06 0.22 -1.93 0.00 0.00 178.83 177.56 1u4a h ASP 25 N -0.20 0.00 0.00 -0.69 3.58 -1.94 -3.46 116.42 113.71 1u4a h ASP 25 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1u4a h ASP 25 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1u4a h ASP 25 CO -0.16 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 176.87 1u4a n GLY 26 N -0.83 1.59 3.36 -0.78 0.00 -0.54 -5.17 105.19 102.82 1u4a n GLY 26 Ca -0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.58 -0.42 1.61 1.04 -1.23 -4.88 113.70 109.24 1u4a s SER 27 Ca 0.00 1.07 0.02 0.00 0.48 0.00 0.00 55.95 57.52 1u4a s SER 27 Cb 0.00 1.09 0.11 0.00 0.10 0.00 0.00 66.02 67.33 1u4a s SER 27 CO 0.00 -0.21 0.16 -0.69 0.98 0.00 0.00 173.24 173.48 1u4a s VAL 28 N 1.78 2.69 -0.06 5.02 1.01 -1.26 -1.06 120.40 128.52 1u4a s VAL 28 Ca -0.08 -2.54 0.05 0.00 0.00 0.00 0.00 61.98 59.41 1u4a s VAL 28 Cb -0.09 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1u4a s VAL 28 CO -0.15 -0.69 -0.22 -0.69 0.00 0.00 0.00 175.10 173.36 1u4a s VAL 29 N 0.62 2.32 -0.27 2.92 1.01 -1.04 -5.00 120.40 120.96 1u4a s VAL 29 Ca 0.12 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1u4a s VAL 29 Cb -0.21 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1u4a s VAL 29 CO -0.05 0.57 0.03 -1.10 0.00 0.00 0.00 175.10 174.55 1u4a s GLN 30 N -0.23 3.11 0.33 2.72 -0.21 -1.26 -1.59 119.66 122.53 1u4a s GLN 30 Ca -0.01 -0.83 0.07 0.00 0.02 0.00 0.00 55.36 54.61 1u4a s GLN 30 Cb -0.13 -3.24 -0.02 0.00 1.00 0.00 0.00 33.01 30.61 1u4a s GLN 30 CO 0.03 -0.39 0.33 -0.06 -2.12 0.00 0.00 175.29 173.09 1u4a s PHE 31 N 1.47 2.96 -0.17 0.91 0.08 -0.96 -4.98 117.98 117.29 1u4a s PHE 31 Ca 0.03 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 1u4a s PHE 31 Cb -0.17 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1u4a s PHE 31 CO 0.00 0.14 0.04 0.15 -0.10 0.00 0.00 175.22 175.45 1u4a s LYS 32 N -4.03 0.59 0.36 0.44 1.02 -1.26 -2.67 119.74 114.19 1u4a s LYS 32 Ca 0.42 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.13 1u4a s LYS 32 Cb -0.07 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1u4a s LYS 32 CO 0.28 -0.59 0.09 0.96 -0.92 0.00 0.00 175.35 175.16 1u4a s ILE 33 N 1.90 0.89 0.49 2.17 -4.36 -1.20 -4.97 121.20 116.13 1u4a s ILE 33 Ca 0.00 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.32 1u4a s ILE 33 Cb -0.16 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 1u4a s ILE 33 CO -0.08 0.00 0.83 -1.59 0.24 0.00 0.00 174.94 174.34 1u4a s LYS 34 N -3.83 3.60 -0.68 0.37 0.00 -1.26 -2.24 119.74 115.70 1u4a s LYS 34 Ca 0.30 0.36 -0.04 0.00 0.00 0.00 0.00 55.97 56.59 1u4a s LYS 34 Cb 0.06 -2.32 0.08 0.00 0.00 0.00 0.00 37.83 35.65 1u4a s LYS 34 CO 0.15 -0.24 2.66 -2.13 0.00 0.00 0.00 175.35 175.79 1u4a n ARG 35 N -2.17 2.98 -1.89 1.78 0.00 -1.26 -4.05 116.66 112.05 1u4a n ARG 35 Ca 0.02 -2.66 -0.04 0.00 -0.00 0.00 0.00 57.85 55.17 1u4a n ARG 35 Cb 0.55 -2.27 0.04 0.00 0.00 0.00 0.00 32.46 30.78 1u4a n ARG 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1u4a n HIS 36 N 1.06 -1.11 -3.63 -0.14 8.25 -1.26 -4.97 115.22 113.43 1u4a n HIS 36 Ca 0.52 -1.13 -0.16 0.00 -0.26 0.00 0.00 57.72 56.69 1u4a n HIS 36 Cb 0.47 1.07 -0.07 0.00 1.12 0.00 0.00 29.99 32.57 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 0.07 0.02 1.03 1.59 -4.23 -1.26 -5.17 115.64 107.69 1u4a s THR 37 Ca 0.05 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1u4a s THR 37 Cb 0.24 -0.84 0.21 0.00 1.34 0.00 0.00 72.50 73.45 1u4a s THR 37 CO -0.07 -0.09 1.08 -2.84 -0.54 0.00 0.00 174.62 172.17 1u4a s PRO 38 N -0.98 0.13 0.50 3.99 0.02 -1.26 -4.88 135.00 132.53 1u4a s PRO 38 Ca -0.10 1.12 0.34 0.00 0.02 0.00 0.00 61.00 62.38 1u4a s PRO 38 Cb -0.02 -1.66 1.73 0.00 0.02 0.00 0.00 34.50 34.57 1u4a s PRO 38 CO 0.07 -3.10 2.03 -0.07 -0.33 0.00 0.00 177.00 175.60 1u4a h LEU 39 N -2.18 0.00 -1.54 -5.54 3.38 -1.43 -2.87 115.31 105.12 1u4a h LEU 39 Ca -0.53 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.68 1u4a h LEU 39 Cb 1.30 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 1u4a h LEU 39 CO 0.47 0.00 0.63 0.77 0.09 0.00 0.00 178.44 180.41 1u4a h SER 40 N 0.00 0.36 0.44 -0.43 4.64 -0.38 0.31 113.55 118.49 1u4a h SER 40 Ca 0.00 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1u4a h SER 40 Cb 0.12 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1u4a h SER 40 CO 0.00 0.12 -0.21 0.11 -0.87 0.00 0.00 176.83 175.98 1u4a h LYS 41 N 0.34 -0.57 -0.53 4.77 6.56 -1.80 0.40 116.57 125.74 1u4a h LYS 41 Ca 0.50 0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 60.04 1u4a h LYS 41 Cb 1.36 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 33.14 1u4a h LYS 41 CO -0.18 -0.37 -0.03 1.25 -2.06 0.00 0.00 179.45 178.06 1u4a h LEU 42 N -0.62 0.94 0.33 2.94 6.46 -1.48 -2.65 115.31 121.24 1u4a h LEU 42 Ca -0.06 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 1u4a h LEU 42 Cb 0.47 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1u4a h LEU 42 CO 0.10 1.04 -0.19 0.24 -0.62 0.00 0.00 178.44 179.01 1u4a h MET 43 N 0.83 -0.47 0.06 1.25 2.86 -0.27 0.15 114.93 119.34 1u4a h MET 43 Ca 0.15 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1u4a h MET 43 Cb 0.57 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1u4a h MET 43 CO 0.03 -0.32 -0.24 0.87 1.06 0.00 0.00 176.91 178.31 1u4a h LYS 44 N -0.49 -0.40 -0.70 1.72 1.57 -0.20 0.27 116.57 118.33 1u4a h LYS 44 Ca -0.04 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1u4a h LYS 44 Cb 0.40 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1u4a h LYS 44 CO 0.05 -0.27 0.42 0.00 -0.57 0.00 0.00 179.45 179.08 1u4a h ALA 45 N 0.38 1.42 -0.29 3.86 0.00 -1.43 0.96 119.26 124.17 1u4a h ALA 45 Ca 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1u4a h ALA 45 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u4a h ALA 45 CO -0.17 0.50 -0.40 -0.92 0.00 0.00 0.00 179.25 178.26 1u4a h TYR 46 N 0.97 0.82 0.03 0.00 3.20 -0.09 0.15 116.97 122.05 1u4a h TYR 46 Ca 0.25 -0.24 -0.23 0.00 3.14 0.00 0.00 58.73 61.66 1u4a h TYR 46 Cb -0.04 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1u4a h TYR 46 CO 0.00 0.97 -0.98 0.66 -1.64 0.00 0.00 178.16 177.17 1u4a h SER 47 N 0.56 0.40 0.36 -2.11 4.64 -0.02 -3.21 113.55 114.17 1u4a h SER 47 Ca 0.05 -0.34 -0.27 0.00 -0.47 0.00 0.00 61.79 60.75 1u4a h SER 47 Cb 0.93 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1u4a h SER 47 CO 0.08 1.17 -1.18 -0.08 -0.87 0.00 0.00 176.83 175.95 1u4a h GLU 48 N 0.15 0.44 -0.63 4.77 4.81 -0.78 -0.03 114.58 123.30 1u4a h GLU 48 Ca -0.08 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 1u4a h GLU 48 Cb 1.64 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 31.20 1u4a h GLU 48 CO 0.16 1.26 0.41 0.07 -0.73 0.00 0.00 179.01 180.18 1u4a h ARG 49 N 0.19 0.84 0.00 1.92 0.11 -0.77 -3.34 114.38 113.32 1u4a h ARG 49 Ca -0.15 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.88 1u4a h ARG 49 Cb 1.86 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.76 1u4a h ARG 49 CO 0.21 0.56 0.00 1.04 0.10 0.00 0.00 179.97 181.88 1u4a n GLN 50 N -4.43 0.00 0.00 0.08 6.02 -1.21 -5.05 117.38 112.79 1u4a n GLN 50 Ca 0.06 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1u4a n GLN 50 Cb 0.05 -0.77 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1u4a n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u4a n GLY 51 N 1.85 0.00 0.00 1.08 0.00 -0.92 -5.12 105.19 102.07 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 -4.31 0.99 4.77 -0.07 -5.05 117.00 113.32 1u4a n LEU 52 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1u4a n LEU 52 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1u4a n LEU 52 CO 0.00 -0.00 -0.37 -0.55 -1.33 0.00 0.00 177.39 175.14 1u4a s SER 53 N 0.20 1.95 -0.25 -1.43 0.15 -1.26 -4.76 113.70 108.30 1u4a s SER 53 Ca 0.00 -1.14 0.05 0.00 0.70 0.00 0.00 55.95 55.56 1u4a s SER 53 Cb 0.00 -0.02 0.47 0.00 -1.71 0.00 0.00 66.02 64.76 1u4a s SER 53 CO 0.00 -0.41 1.51 0.80 1.20 0.00 0.00 173.24 176.34 1u4a n MET 54 N -0.36 2.39 -0.18 5.44 1.56 -1.26 -3.86 117.12 120.86 1u4a n MET 54 Ca -0.07 -2.01 0.01 0.00 -0.27 0.00 0.00 57.70 55.36 1u4a n MET 54 Cb 0.63 -1.85 0.01 0.00 2.15 0.00 0.00 33.22 34.16 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 -0.26 0.51 -2.75 2.12 0.63 -1.26 -4.94 116.66 110.70 1u4a n ARG 55 Ca 0.33 -1.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.21 1u4a n ARG 55 Cb 1.15 -0.66 0.02 0.00 0.45 0.00 0.00 32.46 33.41 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 -0.20 0.56 -3.80 -0.14 10.64 -1.25 -5.13 117.38 118.05 1u4a n GLN 56 Ca 0.02 -1.91 -0.10 0.00 -1.83 0.00 0.00 57.00 53.18 1u4a n GLN 56 Cb 0.55 -1.39 -0.07 0.00 -0.86 0.00 0.00 30.24 28.47 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 0.12 -0.04 -0.39 -1.09 -1.26 -4.36 121.20 115.01 1u4a s ILE 57 Ca 0.30 -0.98 -0.02 0.00 -2.23 0.00 0.00 60.65 57.72 1u4a s ILE 57 Cb 0.05 -1.21 0.02 0.00 -1.58 0.00 0.00 42.46 39.75 1u4a s ILE 57 CO -0.09 -0.54 0.10 -0.60 -1.23 0.00 0.00 174.94 172.57 1u4a s ARG 58 N -3.54 0.07 -0.13 2.79 6.06 -0.63 -4.85 118.95 118.71 1u4a s ARG 58 Ca 0.02 0.23 0.02 0.00 -2.50 0.00 0.00 55.73 53.50 1u4a s ARG 58 Cb 0.03 -0.10 0.01 0.00 0.06 0.00 0.00 34.95 34.95 1u4a s ARG 58 CO -0.09 -0.10 -0.20 -0.06 -2.50 0.00 0.00 175.30 172.35 1u4a s PHE 59 N 0.68 2.43 -0.14 5.12 0.40 -1.22 -0.68 117.98 124.56 1u4a s PHE 59 Ca -0.05 -1.21 0.01 0.00 -0.60 0.00 0.00 56.93 55.07 1u4a s PHE 59 Cb -0.07 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 41.80 1u4a s PHE 59 CO -0.03 -0.57 -0.15 1.03 0.70 0.00 0.00 175.22 176.20 1u4a s ARG 60 N 0.89 2.32 -0.67 0.44 0.52 -1.03 -1.29 118.95 120.13 1u4a s ARG 60 Ca -0.06 -0.57 -0.15 0.00 -0.52 0.00 0.00 55.73 54.43 1u4a s ARG 60 Cb -0.15 -2.09 0.17 0.00 0.52 0.00 0.00 34.95 33.39 1u4a s ARG 60 CO -0.02 -0.21 0.61 0.12 0.02 0.00 0.00 175.30 175.82 1u4a s PHE 61 N 1.40 3.49 -1.50 -0.53 5.36 -1.02 -0.72 117.98 124.47 1u4a s PHE 61 Ca 0.03 -1.67 -0.12 0.00 -0.96 0.00 0.00 56.93 54.22 1u4a s PHE 61 Cb -0.13 -3.78 0.07 0.00 -0.34 0.00 0.00 43.02 38.84 1u4a s PHE 61 CO -0.09 -1.00 0.94 -3.47 -1.46 0.00 0.00 175.22 170.14 1u4a n ASP 62 N 4.62 -4.28 0.00 6.13 -0.08 -1.26 -1.79 116.55 119.88 1u4a n ASP 62 Ca -0.01 -0.78 0.00 0.00 -1.51 0.00 0.00 54.79 52.49 1u4a n ASP 62 Cb 0.43 -3.93 0.00 0.00 2.34 0.00 0.00 41.12 39.96 1u4a n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u4a n GLY 63 N -1.69 0.82 3.07 0.27 0.00 -1.26 -5.05 105.19 101.34 1u4a n GLY 63 Ca -0.01 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.17 2.15 -0.74 1.61 0.74 -0.74 -5.04 119.66 115.46 1u4a s GLN 64 Ca 0.00 -2.25 -0.24 0.00 0.05 0.00 0.00 55.36 52.92 1u4a s GLN 64 Cb 0.00 -3.55 -0.15 0.00 1.10 0.00 0.00 33.01 30.41 1u4a s GLN 64 CO 0.00 -1.10 2.41 -2.30 -0.55 0.00 0.00 175.29 173.75 1u4a n PRO 65 N 3.85 0.60 -4.23 1.67 -0.02 -1.26 -2.42 135.00 133.19 1u4a n PRO 65 Ca 0.04 -0.43 -0.24 0.00 -2.02 0.00 0.00 63.50 60.84 1u4a n PRO 65 Cb 0.38 -3.15 -0.08 0.00 -0.02 0.00 0.00 33.50 30.64 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 11.92 2.66 0.49 4.25 -4.36 -0.41 -5.04 121.20 130.71 1u4a s ILE 66 Ca 1.02 -1.83 0.06 0.00 -0.26 0.00 0.00 60.65 59.64 1u4a s ILE 66 Cb -0.31 -2.90 0.01 0.00 1.25 0.00 0.00 42.46 40.51 1u4a s ILE 66 CO 0.22 -0.15 0.35 0.20 0.24 0.00 0.00 174.94 175.81 1u4a s ASN 67 N -3.79 4.67 0.30 4.36 0.01 -1.26 -3.38 114.94 115.84 1u4a s ASN 67 Ca 0.37 -1.12 0.23 0.00 -0.71 0.00 0.00 52.86 51.63 1u4a s ASN 67 Cb 0.00 0.05 1.09 0.00 0.41 0.00 0.00 41.25 42.81 1u4a s ASN 67 CO 0.21 -0.91 1.70 -1.84 -1.51 0.00 0.00 177.10 174.76 1u4a n GLU 68 N -1.62 0.18 -0.67 -0.60 0.00 -1.26 -2.51 120.64 114.16 1u4a n GLU 68 Ca -0.01 0.53 -0.12 0.00 0.00 0.00 0.00 57.16 57.56 1u4a n GLU 68 Cb 0.64 -1.93 0.11 0.00 0.00 0.00 0.00 31.44 30.26 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 -2.28 2.18 -1.45 3.84 -2.24 -1.26 0.35 114.28 113.42 1u4a n THR 69 Ca 0.00 -1.05 -0.29 0.00 -2.27 0.00 0.00 64.05 60.45 1u4a n THR 69 Cb 0.14 -0.69 0.13 0.00 -2.10 0.00 0.00 70.33 67.81 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 -0.28 3.72 0.24 3.42 2.15 -1.04 -4.83 116.67 120.04 1u4a s ASP 70 Ca 0.31 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.48 1u4a s ASP 70 Cb 0.26 -1.84 0.00 0.00 -0.30 0.00 0.00 42.92 41.05 1u4a s ASP 70 CO 0.06 -2.44 0.00 0.41 -0.17 0.00 0.00 175.17 173.03 1u4a n THR 71 N -3.72 0.00 -0.20 1.71 -1.04 -1.26 -2.02 114.28 107.75 1u4a n THR 71 Ca 0.07 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.05 1u4a n THR 71 Cb 0.57 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.13 1u4a n THR 71 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1u4a h PRO 72 N 0.00 -0.06 -0.88 -2.82 0.13 -1.98 0.69 132.00 127.08 1u4a h PRO 72 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1u4a h PRO 72 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 1u4a h PRO 72 CO 0.00 -0.04 0.57 0.00 -0.23 0.00 0.00 178.00 178.30 1u4a h ALA 73 N 1.42 1.12 -0.16 -0.56 0.00 -1.99 0.26 119.26 119.34 1u4a h ALA 73 Ca 0.28 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1u4a h ALA 73 Cb 0.49 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1u4a h ALA 73 CO -0.64 0.53 -0.33 0.37 0.00 0.00 0.00 179.25 179.18 1u4a h GLN 74 N 1.20 0.32 -0.01 0.00 4.15 -1.31 -2.66 115.11 116.79 1u4a h GLN 74 Ca 0.32 -0.13 -0.25 0.00 0.77 0.00 0.00 58.65 59.35 1u4a h GLN 74 Cb -0.12 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 27.57 1u4a h GLN 74 CO -0.07 0.62 -1.00 1.25 -1.93 0.00 0.00 178.83 177.70 1u4a h LEU 75 N 0.28 0.83 -0.94 -2.39 6.46 0.11 -3.25 115.31 116.40 1u4a h LEU 75 Ca 0.03 -0.65 0.01 0.00 -0.12 0.00 0.00 57.88 57.16 1u4a h LEU 75 Cb 0.72 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1u4a h LEU 75 CO 0.06 1.45 0.62 -0.08 -0.62 0.00 0.00 178.44 179.87 1u4a h GLU 76 N 0.37 1.23 -7.42 1.25 4.81 -0.39 -3.43 114.58 110.99 1u4a h GLU 76 Ca -0.11 -0.07 -0.42 0.00 -0.13 0.00 0.00 59.36 58.62 1u4a h GLU 76 Cb 1.64 -0.28 0.18 0.00 0.63 0.00 0.00 28.75 30.93 1u4a h GLU 76 CO 0.19 0.81 0.17 -1.64 -0.73 0.00 0.00 179.01 177.81 1u4a s MET 77 N -6.12 -0.79 0.00 1.92 -1.94 -1.02 -5.04 119.30 106.32 1u4a s MET 77 Ca -0.13 0.01 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 1u4a s MET 77 Cb 0.17 -1.64 0.00 0.00 2.01 0.00 0.00 34.83 35.37 1u4a s MET 77 CO 0.81 -3.44 0.00 -0.85 -0.01 0.00 0.00 175.02 171.53 1u4a n GLU 78 N -4.58 0.00 0.11 2.03 0.00 -1.26 -5.00 120.64 111.93 1u4a n GLU 78 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1u4a n GLU 78 Cb 0.59 -0.40 0.00 0.00 0.00 0.00 0.00 31.44 31.63 1u4a n GLU 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1u4a n ASP 79 N -2.55 -1.18 -4.58 -1.84 -0.08 -1.26 -4.54 116.55 100.52 1u4a n ASP 79 Ca 0.00 0.39 -0.41 0.00 -1.51 0.00 0.00 54.79 53.26 1u4a n ASP 79 Cb 0.26 1.27 -0.03 0.00 2.34 0.00 0.00 41.12 44.96 1u4a n ASP 79 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1u4a s GLU 80 N -1.55 3.07 -0.14 -0.67 2.02 -1.26 -2.81 118.70 117.36 1u4a s GLU 80 Ca 0.00 1.25 -0.04 0.00 0.02 0.00 0.00 54.97 56.20 1u4a s GLU 80 Cb 0.00 -4.28 0.07 0.00 0.10 0.00 0.00 34.13 30.02 1u4a s GLU 80 CO 0.00 -2.18 0.23 0.34 0.02 0.00 0.00 175.26 173.67 1u4a s ASP 81 N 7.08 0.69 0.05 -0.19 2.15 -1.22 -5.03 116.67 120.22 1u4a s ASP 81 Ca 0.79 0.32 0.07 0.00 0.43 0.00 0.00 52.55 54.16 1u4a s ASP 81 Cb -0.20 0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 42.92 1u4a s ASP 81 CO 0.30 -0.26 -0.16 0.42 -0.17 0.00 0.00 175.17 175.30 1u4a s THR 82 N 2.37 2.96 0.11 1.71 -4.23 -1.26 -0.68 115.64 116.62 1u4a s THR 82 Ca 0.03 -1.19 -0.08 0.00 -1.18 0.00 0.00 61.69 59.27 1u4a s THR 82 Cb -0.13 -2.28 -0.00 0.00 1.34 0.00 0.00 72.50 71.42 1u4a s THR 82 CO -0.09 0.28 0.21 0.27 -0.54 0.00 0.00 174.62 174.75 1u4a s ILE 83 N -1.00 0.13 -0.38 2.99 -5.25 -0.62 -4.47 121.20 112.60 1u4a s ILE 83 Ca 0.16 -1.25 -0.00 0.00 -0.99 0.00 0.00 60.65 58.57 1u4a s ILE 83 Cb -0.11 -1.47 0.11 0.00 2.95 0.00 0.00 42.46 43.94 1u4a s ILE 83 CO 0.07 -0.57 0.15 -1.81 -1.79 0.00 0.00 174.94 170.99 1u4a s ASP 84 N -2.89 5.07 -0.39 4.36 1.01 0.10 -0.64 116.67 123.28 1u4a s ASP 84 Ca 0.08 -2.08 -0.29 0.00 0.71 0.00 0.00 52.55 50.97 1u4a s ASP 84 Cb 0.05 -1.75 0.02 0.00 1.01 0.00 0.00 42.92 42.25 1u4a s ASP 84 CO -0.08 -0.48 1.11 0.54 0.21 0.00 0.00 175.17 176.47 1u4a s VAL 85 N 1.05 4.36 -0.21 -1.27 0.11 0.15 -2.47 120.40 122.12 1u4a s VAL 85 Ca 0.09 1.50 -0.07 0.00 -2.93 0.00 0.00 61.98 60.57 1u4a s VAL 85 Cb -0.21 -4.49 -0.04 0.00 -1.53 0.00 0.00 36.38 30.11 1u4a s VAL 85 CO -0.06 -0.71 0.07 -0.36 -3.33 0.00 0.00 175.10 170.71 1u4a s PHE 86 N 4.04 3.17 -0.21 1.54 0.08 0.14 -1.83 117.98 124.90 1u4a s PHE 86 Ca 0.47 -0.13 -0.25 0.00 0.12 0.00 0.00 56.93 57.14 1u4a s PHE 86 Cb -0.10 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 1u4a s PHE 86 CO 0.23 -0.07 0.82 -1.14 -0.10 0.00 0.00 175.22 174.96 1u4a s GLN 87 N 0.93 4.23 -0.41 0.44 0.74 -1.26 -1.61 119.66 122.71 1u4a s GLN 87 Ca 0.04 0.96 -0.26 0.00 0.05 0.00 0.00 55.36 56.14 1u4a s GLN 87 Cb -0.14 -3.62 0.02 0.00 1.10 0.00 0.00 33.01 30.38 1u4a s GLN 87 CO 0.03 -0.44 0.97 -1.14 -0.55 0.00 0.00 175.29 174.16 1u4a s GLN 88 N 2.55 3.75 0.37 1.67 2.00 -1.26 -5.01 119.66 123.73 1u4a s GLN 88 Ca 0.36 0.49 -0.27 0.00 -2.00 0.00 0.00 55.36 53.93 1u4a s GLN 88 Cb -0.16 -3.85 -0.10 0.00 0.80 0.00 0.00 33.01 29.70 1u4a s GLN 88 CO 0.09 -1.10 1.34 -1.14 -0.50 0.00 0.00 175.29 173.98 1u4a s GLN 89 N 3.74 4.13 -0.30 1.67 2.00 -1.26 -4.86 119.66 124.78 1u4a s GLN 89 Ca 0.40 2.25 0.02 0.00 -2.00 0.00 0.00 55.36 56.03 1u4a s GLN 89 Cb -0.11 -2.91 0.09 0.00 0.80 0.00 0.00 33.01 30.88 1u4a s GLN 89 CO 0.23 -0.39 0.02 0.99 -0.50 0.00 0.00 175.29 175.64 1u4a s THR 90 N -1.19 1.81 0.16 -0.34 2.01 -1.26 -4.86 115.64 111.97 1u4a s THR 90 Ca 0.53 -1.81 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1u4a s THR 90 Cb -0.40 -2.23 0.00 0.00 0.01 0.00 0.00 72.50 69.88 1u4a s THR 90 CO 0.53 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 1u4a n GLY 91 N 4.49 -1.07 0.00 4.40 0.00 -1.26 -5.29 105.19 106.46 1u4a n GLY 91 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93