#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 0.09 -0.21 6.41 2.15 -1.26 -5.13 116.67 118.73 1u4a s ASP 15 Ca 0.00 -1.00 -0.10 0.00 0.43 0.00 0.00 52.55 51.88 1u4a s ASP 15 Cb 0.00 1.15 0.08 0.00 -0.30 0.00 0.00 42.92 43.85 1u4a s ASP 15 CO 0.00 -0.26 0.48 -1.00 -0.17 0.00 0.00 175.17 174.22 1u4a s HIS 16 N 1.87 -0.82 -0.01 -5.34 3.76 -1.26 -4.75 115.29 108.74 1u4a s HIS 16 Ca 0.15 1.61 -0.29 0.00 -0.15 0.00 0.00 55.06 56.37 1u4a s HIS 16 Cb -0.11 0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.94 1u4a s HIS 16 CO -0.12 -0.45 0.94 0.96 -0.85 0.00 0.00 174.74 175.22 1u4a s ILE 17 N 2.01 4.89 -0.38 0.60 -4.36 -0.01 -4.84 121.20 119.11 1u4a s ILE 17 Ca -0.07 1.97 -0.22 0.00 -0.26 0.00 0.00 60.65 62.08 1u4a s ILE 17 Cb -0.09 -4.28 0.01 0.00 1.25 0.00 0.00 42.46 39.35 1u4a s ILE 17 CO -0.14 0.17 0.70 0.54 0.24 0.00 0.00 174.94 176.44 1u4a s ASN 18 N 0.98 6.44 -0.07 4.36 4.22 -0.97 -3.15 114.94 126.76 1u4a s ASN 18 Ca 0.50 0.11 0.05 0.00 -2.14 0.00 0.00 52.86 51.37 1u4a s ASN 18 Cb -0.20 -2.35 -0.00 0.00 1.28 0.00 0.00 41.25 39.97 1u4a s ASN 18 CO 0.26 -0.70 -0.21 -0.76 -2.04 0.00 0.00 177.10 173.66 1u4a s LEU 19 N 2.90 1.98 -0.36 3.54 1.02 -1.08 -3.18 118.68 123.50 1u4a s LEU 19 Ca 0.27 -0.45 -0.13 0.00 0.02 0.00 0.00 54.13 53.84 1u4a s LEU 19 Cb -0.14 -1.20 0.00 0.00 0.02 0.00 0.00 46.19 44.88 1u4a s LEU 19 CO 0.17 0.17 0.23 -0.54 0.02 0.00 0.00 176.35 176.40 1u4a s LYS 20 N 0.13 3.19 -0.19 1.70 3.01 -1.01 -1.91 119.74 124.66 1u4a s LYS 20 Ca -0.09 -0.85 -0.20 0.00 -1.01 0.00 0.00 55.97 53.83 1u4a s LYS 20 Cb -0.15 -3.80 -0.03 0.00 -1.01 0.00 0.00 37.83 32.85 1u4a s LYS 20 CO 0.05 -0.57 0.57 0.08 0.51 0.00 0.00 175.35 175.98 1u4a s VAL 21 N 1.66 5.07 -0.30 3.17 1.01 0.31 -2.43 120.40 128.88 1u4a s VAL 21 Ca 0.05 1.06 -0.09 0.00 0.00 0.00 0.00 61.98 63.01 1u4a s VAL 21 Cb -0.18 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 1u4a s VAL 21 CO 0.09 0.16 0.13 0.00 0.00 0.00 0.00 175.10 175.48 1u4a s ALA 22 N 1.66 3.20 0.43 5.51 0.00 0.53 -2.25 121.76 130.84 1u4a s ALA 22 Ca 0.26 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.61 1u4a s ALA 22 Cb -0.16 -2.29 -0.11 0.00 0.00 0.00 0.00 23.12 20.56 1u4a s ALA 22 CO 0.10 -0.90 0.95 0.20 0.00 0.00 0.00 175.76 176.12 1u4a s GLY 23 N 1.58 2.41 0.44 0.00 0.00 0.81 -0.05 107.32 112.51 1u4a s GLY 23 Ca 0.04 0.41 0.17 0.00 0.00 0.00 0.00 44.72 45.35 1u4a s GLY 23 CO 0.05 0.70 1.94 -1.61 0.00 0.00 0.00 173.10 174.18 1u4a h GLN 24 N 1.93 0.34 -1.04 2.90 4.15 -1.73 -0.40 115.11 121.26 1u4a h GLN 24 Ca -0.49 -0.02 -0.46 0.00 0.77 0.00 0.00 58.65 58.45 1u4a h GLN 24 Cb 1.18 -0.08 -0.25 0.00 0.21 0.00 0.00 27.48 28.54 1u4a h GLN 24 CO 0.61 0.22 0.58 -3.47 -1.93 0.00 0.00 178.83 174.85 1u4a n ASP 25 N -4.46 4.46 -2.30 -0.69 2.03 -1.26 -4.87 116.55 109.46 1u4a n ASP 25 Ca 0.13 -3.38 -0.08 0.00 0.52 0.00 0.00 54.79 51.98 1u4a n ASP 25 Cb 0.53 -0.83 0.04 0.00 -0.72 0.00 0.00 41.12 40.14 1u4a n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u4a n GLY 26 N -0.77 -0.04 3.22 0.27 0.00 -0.17 -5.01 105.19 102.68 1u4a n GLY 26 Ca 0.50 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.51 5.65 -0.43 1.61 0.15 -1.14 -4.86 113.70 111.17 1u4a s SER 27 Ca 0.09 -1.83 -0.17 0.00 0.70 0.00 0.00 55.95 54.74 1u4a s SER 27 Cb -0.01 -1.99 0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1u4a s SER 27 CO 0.38 -0.65 0.41 0.68 1.20 0.00 0.00 173.24 175.26 1u4a s VAL 28 N 1.36 5.13 0.03 4.45 -7.23 -1.26 -0.13 120.40 122.74 1u4a s VAL 28 Ca 0.05 -0.50 -0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1u4a s VAL 28 Cb -0.25 -4.04 -0.02 0.00 0.56 0.00 0.00 36.38 32.62 1u4a s VAL 28 CO -0.00 -0.44 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.63 1u4a s VAL 29 N 2.02 0.16 0.06 1.32 1.01 -0.96 -5.02 120.40 118.99 1u4a s VAL 29 Ca 0.10 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1u4a s VAL 29 Cb -0.18 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1u4a s VAL 29 CO 0.12 -0.59 -0.09 -1.58 0.00 0.00 0.00 175.10 172.95 1u4a s GLN 30 N -1.95 2.28 -0.04 2.72 0.74 -1.26 -0.53 119.66 121.61 1u4a s GLN 30 Ca -0.11 -0.91 -0.03 0.00 0.05 0.00 0.00 55.36 54.35 1u4a s GLN 30 Cb -0.06 -2.36 0.01 0.00 1.10 0.00 0.00 33.01 31.70 1u4a s GLN 30 CO -0.03 0.54 0.10 -0.06 -0.55 0.00 0.00 175.29 175.29 1u4a s PHE 31 N -1.12 -0.11 -0.27 1.67 0.08 -0.80 -4.99 117.98 112.45 1u4a s PHE 31 Ca 0.19 0.28 -0.05 0.00 0.12 0.00 0.00 56.93 57.47 1u4a s PHE 31 Cb -0.11 0.00 0.01 0.00 -0.57 0.00 0.00 43.02 42.35 1u4a s PHE 31 CO 0.11 -0.07 0.03 0.15 -0.10 0.00 0.00 175.22 175.34 1u4a s LYS 32 N 0.28 3.14 0.38 0.44 1.02 -1.26 -2.62 119.74 121.11 1u4a s LYS 32 Ca -0.02 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.21 1u4a s LYS 32 Cb -0.03 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1u4a s LYS 32 CO -0.01 -0.37 0.19 0.96 -0.92 0.00 0.00 175.35 175.19 1u4a s ILE 33 N 1.47 0.35 0.27 2.17 -4.36 -1.19 -4.92 121.20 115.00 1u4a s ILE 33 Ca 0.03 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.41 1u4a s ILE 33 Cb -0.16 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 1u4a s ILE 33 CO 0.00 0.00 0.48 -1.59 0.24 0.00 0.00 174.94 174.07 1u4a s LYS 34 N -3.62 3.54 -0.41 0.37 -2.85 -1.26 -0.83 119.74 114.67 1u4a s LYS 34 Ca 0.30 -0.27 -0.01 0.00 -1.00 0.00 0.00 55.97 54.99 1u4a s LYS 34 Cb 0.02 -2.74 0.29 0.00 -2.06 0.00 0.00 37.83 33.34 1u4a s LYS 34 CO 0.19 0.27 2.01 2.89 0.10 0.00 0.00 175.35 180.81 1u4a n ARG 35 N -1.11 2.04 -1.81 1.78 1.85 -1.26 -4.05 116.66 114.10 1u4a n ARG 35 Ca -0.04 -2.05 -0.00 0.00 -1.00 0.00 0.00 57.85 54.76 1u4a n ARG 35 Cb 0.55 -1.80 0.02 0.00 -1.05 0.00 0.00 32.46 30.17 1u4a n ARG 35 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1u4a n HIS 36 N -0.03 0.02 -3.98 2.89 8.25 -1.26 -4.59 115.22 116.52 1u4a n HIS 36 Ca 0.39 -1.00 -0.09 0.00 -0.26 0.00 0.00 57.72 56.76 1u4a n HIS 36 Cb 0.62 0.20 -0.10 0.00 1.12 0.00 0.00 29.99 31.83 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 -0.81 0.15 0.93 1.59 -4.23 -1.26 -5.13 115.64 106.88 1u4a s THR 37 Ca 0.21 -1.25 -0.12 0.00 -1.18 0.00 0.00 61.69 59.35 1u4a s THR 37 Cb 0.29 -0.95 0.15 0.00 1.34 0.00 0.00 72.50 73.33 1u4a s THR 37 CO -0.10 -0.69 1.09 -2.16 -0.54 0.00 0.00 174.62 172.22 1u4a s PRO 38 N -2.77 0.99 0.61 3.99 0.04 -1.26 -4.75 135.00 131.84 1u4a s PRO 38 Ca -0.04 0.78 0.31 0.00 0.04 0.00 0.00 61.00 62.10 1u4a s PRO 38 Cb -0.00 -1.78 1.83 0.00 0.04 0.00 0.00 34.50 34.58 1u4a s PRO 38 CO -0.06 -2.42 2.19 -0.07 0.04 0.00 0.00 177.00 176.69 1u4a h LEU 39 N -1.67 0.00 -1.71 -3.56 3.38 -1.57 -1.72 115.31 108.45 1u4a h LEU 39 Ca -0.51 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.64 1u4a h LEU 39 Cb 1.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1u4a h LEU 39 CO 0.55 0.00 0.52 0.77 0.09 0.00 0.00 178.44 180.37 1u4a h SER 40 N 0.00 0.26 0.80 -0.43 4.64 -1.77 0.89 113.55 117.94 1u4a h SER 40 Ca 0.04 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1u4a h SER 40 Cb 0.25 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1u4a h SER 40 CO -0.00 0.12 -0.38 0.50 -0.87 0.00 0.00 176.83 176.20 1u4a h LYS 41 N 0.27 -1.03 -0.87 4.77 1.63 -1.63 0.66 116.57 120.37 1u4a h LYS 41 Ca 0.38 0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 60.23 1u4a h LYS 41 Cb 1.08 0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 32.91 1u4a h LYS 41 CO -0.09 -0.67 0.47 1.25 -3.45 0.00 0.00 179.45 176.96 1u4a h LEU 42 N -1.20 1.09 -0.41 5.20 6.46 -1.61 -1.69 115.31 123.16 1u4a h LEU 42 Ca -0.11 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.48 1u4a h LEU 42 Cb 0.83 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1u4a h LEU 42 CO 0.18 0.88 -0.03 -0.03 -0.62 0.00 0.00 178.44 178.82 1u4a h MET 43 N 1.22 0.74 -0.68 1.25 4.05 -0.77 0.26 114.93 121.00 1u4a h MET 43 Ca 0.31 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 1u4a h MET 43 Cb 0.04 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 1u4a h MET 43 CO -0.05 0.84 0.23 0.87 0.23 0.00 0.00 176.91 179.03 1u4a h LYS 44 N 0.56 1.03 -0.02 0.39 1.79 0.63 0.56 116.57 121.52 1u4a h LYS 44 Ca 0.11 -0.20 -0.20 0.00 -2.18 0.00 0.00 60.65 58.18 1u4a h LYS 44 Cb 0.52 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1u4a h LYS 44 CO 0.03 0.87 -0.85 0.00 -1.08 0.00 0.00 179.45 178.42 1u4a h ALA 45 N 1.25 0.51 0.18 3.86 0.00 -1.20 -0.87 119.26 122.98 1u4a h ALA 45 Ca 0.22 -0.68 -0.31 0.00 0.00 0.00 0.00 54.91 54.15 1u4a h ALA 45 Cb 0.26 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1u4a h ALA 45 CO -0.01 0.84 -1.40 -0.92 0.00 0.00 0.00 179.25 177.76 1u4a h TYR 46 N 0.19 0.68 0.20 0.00 5.03 -0.68 -2.58 116.97 119.80 1u4a h TYR 46 Ca -0.05 -0.50 -0.29 0.00 2.58 0.00 0.00 58.73 60.47 1u4a h TYR 46 Cb 1.46 -0.03 0.03 0.00 1.55 0.00 0.00 36.73 39.74 1u4a h TYR 46 CO 0.04 1.42 -1.27 1.03 -1.32 0.00 0.00 178.16 178.06 1u4a h SER 47 N 0.10 0.78 -0.10 -2.11 0.87 0.04 -2.99 113.55 110.14 1u4a h SER 47 Ca -0.20 -0.90 -0.10 0.00 -1.23 0.00 0.00 61.79 59.35 1u4a h SER 47 Cb 2.06 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1u4a h SER 47 CO 0.22 1.61 -0.35 -0.08 -0.53 0.00 0.00 176.83 177.71 1u4a h GLU 48 N 0.06 0.41 -0.49 2.24 4.81 -1.30 -1.73 114.58 118.58 1u4a h GLU 48 Ca -0.21 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 1u4a h GLU 48 Cb 1.98 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.40 1u4a h GLU 48 CO 0.24 0.93 0.19 -0.09 -0.73 0.00 0.00 179.01 179.56 1u4a h ARG 49 N -0.02 0.70 0.07 1.92 2.43 -1.61 -3.29 114.38 114.58 1u4a h ARG 49 Ca -0.01 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1u4a h ARG 49 Cb 0.97 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1u4a h ARG 49 CO 0.07 0.58 -0.03 0.37 -1.51 0.00 0.00 179.97 179.45 1u4a h GLN 50 N 0.70 -0.09 0.00 0.20 4.15 -1.55 -3.50 115.11 115.02 1u4a h GLN 50 Ca 0.17 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1u4a h GLN 50 Cb 0.14 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1u4a h GLN 50 CO -0.02 -0.06 0.00 0.41 -1.93 0.00 0.00 178.83 177.23 1u4a n GLY 51 N 1.22 0.34 0.00 2.39 0.00 -0.69 -5.10 105.19 103.34 1u4a n GLY 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.87 0.99 4.77 -0.94 -5.08 117.00 111.87 1u4a n LEU 52 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1u4a n LEU 52 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1u4a n LEU 52 CO 0.00 0.00 -0.05 -0.55 -1.33 0.00 0.00 177.39 175.46 1u4a s SER 53 N 0.22 5.32 -0.23 -1.43 0.15 -1.26 -4.90 113.70 111.56 1u4a s SER 53 Ca 0.00 -0.51 0.07 0.00 0.70 0.00 0.00 55.95 56.21 1u4a s SER 53 Cb 0.00 -0.91 -0.19 0.00 -1.71 0.00 0.00 66.02 63.21 1u4a s SER 53 CO 0.00 -0.43 -0.13 0.80 1.20 0.00 0.00 173.24 174.69 1u4a n MET 54 N -1.44 0.68 -0.88 5.44 1.56 -1.26 -4.42 117.12 116.80 1u4a n MET 54 Ca -0.00 0.09 -0.14 0.00 -0.27 0.00 0.00 57.70 57.38 1u4a n MET 54 Cb 0.60 -1.50 0.16 0.00 2.15 0.00 0.00 33.22 34.62 1u4a n MET 54 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13 1u4a n ARG 55 N -3.07 2.23 -2.75 2.12 1.85 -1.26 -4.52 116.66 111.25 1u4a n ARG 55 Ca -0.40 -2.26 -0.05 0.00 -1.00 0.00 0.00 57.85 54.14 1u4a n ARG 55 Cb 1.03 -1.91 0.02 0.00 -1.05 0.00 0.00 32.46 30.55 1u4a n ARG 55 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1u4a n GLN 56 N -0.55 0.58 -3.69 2.89 7.27 -1.26 -5.15 117.38 117.47 1u4a n GLN 56 Ca 0.41 -1.92 -0.11 0.00 0.07 0.00 0.00 57.00 55.46 1u4a n GLN 56 Cb 1.32 -1.41 -0.06 0.00 2.41 0.00 0.00 30.24 32.50 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 0.08 -0.24 1.69 -1.09 -1.26 -4.62 121.20 116.59 1u4a s ILE 57 Ca 0.30 -0.67 -0.13 0.00 -2.23 0.00 0.00 60.65 57.92 1u4a s ILE 57 Cb 0.06 -1.14 0.07 0.00 -1.58 0.00 0.00 42.46 39.87 1u4a s ILE 57 CO -0.10 -0.37 0.58 0.00 -1.23 0.00 0.00 174.94 173.82 1u4a s ARG 58 N -3.47 0.58 -0.11 2.79 1.70 -1.15 -4.90 118.95 114.39 1u4a s ARG 58 Ca 0.01 1.06 -0.03 0.00 -0.47 0.00 0.00 55.73 56.30 1u4a s ARG 58 Cb 0.02 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.44 1u4a s ARG 58 CO -0.09 -0.15 0.01 -0.06 -1.08 0.00 0.00 175.30 173.92 1u4a s PHE 59 N 1.55 3.18 -0.20 5.89 0.40 -1.07 -0.63 117.98 127.10 1u4a s PHE 59 Ca -0.10 0.12 -0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1u4a s PHE 59 Cb -0.06 -1.86 -0.00 0.00 0.51 0.00 0.00 43.02 41.60 1u4a s PHE 59 CO -0.17 0.36 -0.08 0.50 0.70 0.00 0.00 175.22 176.53 1u4a s ARG 60 N -0.52 3.32 -0.64 0.44 3.52 0.68 -0.86 118.95 124.89 1u4a s ARG 60 Ca 0.09 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 55.01 1u4a s ARG 60 Cb -0.12 -2.89 0.16 0.00 -1.56 0.00 0.00 34.95 30.54 1u4a s ARG 60 CO 0.02 -0.14 0.45 0.12 -0.81 0.00 0.00 175.30 174.94 1u4a s PHE 61 N 1.30 3.41 -1.48 5.12 5.36 -1.09 0.23 117.98 130.83 1u4a s PHE 61 Ca 0.04 -2.83 -0.12 0.00 -0.96 0.00 0.00 56.93 53.05 1u4a s PHE 61 Cb -0.14 -3.13 0.06 0.00 -0.34 0.00 0.00 43.02 39.47 1u4a s PHE 61 CO -0.04 -0.81 0.95 -0.25 -1.46 0.00 0.00 175.22 173.61 1u4a n ASP 62 N 3.26 -5.21 0.00 6.13 9.92 -1.26 -1.71 116.55 127.68 1u4a n ASP 62 Ca 0.09 -0.64 0.00 0.00 -0.53 0.00 0.00 54.79 53.71 1u4a n ASP 62 Cb 0.37 -4.16 0.00 0.00 -0.64 0.00 0.00 41.12 36.69 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 -1.70 0.75 2.97 0.44 0.00 -1.26 -5.05 105.19 101.34 1u4a n GLY 63 Ca 0.02 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.72 1.86 -0.41 1.61 -0.21 -0.69 -5.07 119.66 115.02 1u4a s GLN 64 Ca 0.00 -2.43 -0.31 0.00 0.02 0.00 0.00 55.36 52.64 1u4a s GLN 64 Cb 0.00 -3.30 -0.10 0.00 1.00 0.00 0.00 33.01 30.61 1u4a s GLN 64 CO 0.00 -1.07 2.30 -2.30 -2.12 0.00 0.00 175.29 172.10 1u4a n PRO 65 N 3.42 1.18 -4.62 2.91 -0.02 -1.26 -2.67 135.00 133.92 1u4a n PRO 65 Ca 0.05 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 1u4a n PRO 65 Cb 0.35 -2.78 -0.13 0.00 -0.02 0.00 0.00 33.50 30.92 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 8.84 3.50 0.79 4.25 -4.36 -0.04 -5.02 121.20 129.17 1u4a s ILE 66 Ca 1.07 -0.52 -0.06 0.00 -0.26 0.00 0.00 60.65 60.89 1u4a s ILE 66 Cb -0.62 -2.47 0.14 0.00 1.25 0.00 0.00 42.46 40.76 1u4a s ILE 66 CO 0.41 0.54 1.09 0.21 0.24 0.00 0.00 174.94 177.43 1u4a s ASN 67 N -0.04 4.02 -0.06 4.36 2.47 -1.26 -2.58 114.94 121.85 1u4a s ASN 67 Ca -0.01 -0.09 0.02 0.00 0.42 0.00 0.00 52.86 53.20 1u4a s ASN 67 Cb -0.14 -0.21 0.13 0.00 -1.45 0.00 0.00 41.25 39.59 1u4a s ASN 67 CO 0.03 -2.10 0.88 -1.84 -3.72 0.00 0.00 177.10 170.36 1u4a n GLU 68 N -3.12 1.51 -0.08 0.43 0.00 -1.26 -3.36 120.64 114.75 1u4a n GLU 68 Ca 0.14 -0.54 0.03 0.00 0.00 0.00 0.00 57.16 56.79 1u4a n GLU 68 Cb 0.60 -1.48 0.04 0.00 0.00 0.00 0.00 31.44 30.60 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 0.91 -1.40 3.84 -2.24 -1.26 -2.56 114.28 111.72 1u4a n THR 69 Ca 0.07 -1.01 -0.30 0.00 -2.27 0.00 0.00 64.05 60.55 1u4a n THR 69 Cb 0.53 0.40 0.20 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.30 2.10 0.15 3.42 -1.08 -1.21 -4.79 116.67 113.96 1u4a s ASP 70 Ca 0.09 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 1u4a s ASP 70 Cb 0.07 -0.92 0.00 0.00 -1.46 0.00 0.00 42.92 40.61 1u4a s ASP 70 CO 0.01 -3.39 0.00 0.35 0.52 0.00 0.00 175.17 172.66 1u4a n THR 71 N -4.27 0.00 -0.16 1.71 -2.24 -1.26 -1.74 114.28 106.31 1u4a n THR 71 Ca 0.12 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1u4a n THR 71 Cb 0.59 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.01 -0.36 -0.78 0.11 -1.94 0.11 132.00 129.13 1u4a h PRO 72 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1u4a h PRO 72 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1u4a h PRO 72 CO 0.00 -0.01 0.07 0.00 -0.21 0.00 0.00 178.00 177.85 1u4a h ALA 73 N 1.49 0.47 -0.97 -0.75 0.00 -1.97 0.52 119.26 118.04 1u4a h ALA 73 Ca 0.25 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1u4a h ALA 73 Cb 0.39 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1u4a h ALA 73 CO -0.53 0.17 0.63 0.37 0.00 0.00 0.00 179.25 179.88 1u4a h GLN 74 N 0.43 1.09 0.08 0.00 5.75 -1.70 -2.12 115.11 118.62 1u4a h GLN 74 Ca 0.11 -0.07 -0.26 0.00 -0.15 0.00 0.00 58.65 58.28 1u4a h GLN 74 Cb 0.34 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1u4a h GLN 74 CO 0.01 0.72 -1.28 1.25 -2.65 0.00 0.00 178.83 176.88 1u4a h LEU 75 N 1.12 0.25 -2.01 -2.39 6.46 -0.59 -3.29 115.31 114.86 1u4a h LEU 75 Ca 0.42 -0.30 0.10 0.00 -0.12 0.00 0.00 57.88 57.98 1u4a h LEU 75 Cb 0.20 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1u4a h LEU 75 CO -0.17 1.24 0.25 -0.33 -0.62 0.00 0.00 178.44 178.81 1u4a h GLU 76 N 0.04 0.00 -7.17 1.25 5.08 0.71 -3.43 114.58 111.07 1u4a h GLU 76 Ca -0.13 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.80 1u4a h GLU 76 Cb 1.92 0.00 0.20 0.00 0.50 0.00 0.00 28.75 31.38 1u4a h GLU 76 CO 0.16 0.00 0.02 -1.64 -1.00 0.00 0.00 179.01 176.55 1u4a s MET 77 N -5.02 -1.05 -0.02 2.33 -1.94 -0.99 -5.02 119.30 107.58 1u4a s MET 77 Ca -0.05 0.66 -0.02 0.00 -1.71 0.00 0.00 55.69 54.57 1u4a s MET 77 Cb 0.19 -1.55 -0.01 0.00 2.01 0.00 0.00 34.83 35.46 1u4a s MET 77 CO 0.71 -3.76 -0.05 -0.85 -0.01 0.00 0.00 175.02 171.06 1u4a n GLU 78 N -4.92 0.08 0.09 2.03 0.28 -1.26 -5.07 120.64 111.86 1u4a n GLU 78 Ca 0.04 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1u4a n GLU 78 Cb 0.56 -0.63 0.00 0.00 1.43 0.00 0.00 31.44 32.79 1u4a n GLU 78 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1u4a n ASP 79 N -3.23 -1.56 -4.56 -1.84 -0.08 -1.26 -4.86 116.55 99.15 1u4a n ASP 79 Ca -0.06 0.48 -0.43 0.00 -1.51 0.00 0.00 54.79 53.27 1u4a n ASP 79 Cb 0.48 1.68 -0.03 0.00 2.34 0.00 0.00 41.12 45.59 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 -2.00 3.50 0.08 -0.67 2.02 -1.26 -2.30 118.70 118.07 1u4a s GLU 80 Ca 0.00 0.13 -0.13 0.00 0.02 0.00 0.00 54.97 54.99 1u4a s GLU 80 Cb 0.00 -3.99 0.02 0.00 0.10 0.00 0.00 34.13 30.26 1u4a s GLU 80 CO 0.00 -1.46 0.31 0.34 0.02 0.00 0.00 175.26 174.47 1u4a s ASP 81 N 2.67 -0.10 -0.01 -0.19 2.15 -1.19 -5.08 116.67 114.91 1u4a s ASP 81 Ca 0.39 -0.33 -0.09 0.00 0.43 0.00 0.00 52.55 52.94 1u4a s ASP 81 Cb -0.09 0.39 0.01 0.00 -0.30 0.00 0.00 42.92 42.92 1u4a s ASP 81 CO 0.25 -0.71 0.19 0.42 -0.17 0.00 0.00 175.17 175.15 1u4a s THR 82 N -3.23 0.07 0.08 1.71 -4.23 -1.26 -2.41 115.64 106.37 1u4a s THR 82 Ca -0.00 -0.57 -0.06 0.00 -1.18 0.00 0.00 61.69 59.88 1u4a s THR 82 Cb 0.01 -0.47 -0.02 0.00 1.34 0.00 0.00 72.50 73.37 1u4a s THR 82 CO -0.08 -0.31 0.11 0.27 -0.54 0.00 0.00 174.62 174.07 1u4a s ILE 83 N -1.23 0.16 -0.34 2.99 -5.25 -1.02 -4.76 121.20 111.75 1u4a s ILE 83 Ca -0.13 -1.45 -0.03 0.00 -0.99 0.00 0.00 60.65 58.06 1u4a s ILE 83 Cb -0.06 -1.47 0.07 0.00 2.95 0.00 0.00 42.46 43.95 1u4a s ILE 83 CO 0.02 -0.74 0.08 -1.81 -1.79 0.00 0.00 174.94 170.70 1u4a s ASP 84 N -2.90 5.06 -0.35 4.36 1.11 0.14 -0.35 116.67 123.74 1u4a s ASP 84 Ca 0.07 -1.50 -0.29 0.00 0.18 0.00 0.00 52.55 51.02 1u4a s ASP 84 Cb 0.06 -1.77 0.02 0.00 1.07 0.00 0.00 42.92 42.30 1u4a s ASP 84 CO -0.09 -0.36 1.09 0.54 1.18 0.00 0.00 175.17 177.53 1u4a s VAL 85 N 1.23 4.43 0.41 -1.27 0.11 0.93 -0.23 120.40 126.01 1u4a s VAL 85 Ca -0.00 1.62 0.08 0.00 -2.93 0.00 0.00 61.98 60.74 1u4a s VAL 85 Cb -0.21 -4.45 -0.04 0.00 -1.53 0.00 0.00 36.38 30.15 1u4a s VAL 85 CO -0.02 -0.60 0.26 -0.36 -3.33 0.00 0.00 175.10 171.05 1u4a s PHE 86 N 3.85 2.67 0.14 1.54 0.40 0.20 -1.91 117.98 124.86 1u4a s PHE 86 Ca 0.46 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 56.32 1u4a s PHE 86 Cb -0.11 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 1u4a s PHE 86 CO 0.19 0.08 -0.13 -0.65 0.70 0.00 0.00 175.22 175.41 1u4a s GLN 87 N -3.99 1.05 -0.01 0.44 -1.52 -1.26 -2.95 119.66 111.42 1u4a s GLN 87 Ca 0.44 -1.32 0.04 0.00 -1.95 0.00 0.00 55.36 52.56 1u4a s GLN 87 Cb 0.00 -0.82 -0.01 0.00 -0.22 0.00 0.00 33.01 31.97 1u4a s GLN 87 CO 0.25 0.14 -0.14 -1.14 -0.25 0.00 0.00 175.29 174.15 1u4a s GLN 88 N -3.07 1.18 -0.06 2.91 0.74 -1.26 -5.02 119.66 115.08 1u4a s GLN 88 Ca 0.12 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.04 1u4a s GLN 88 Cb -0.02 -1.12 0.02 0.00 1.10 0.00 0.00 33.01 32.99 1u4a s GLN 88 CO 0.02 0.28 -0.04 -0.65 -0.55 0.00 0.00 175.29 174.36 1u4a s GLN 89 N -0.25 0.91 -0.05 1.67 -0.21 -1.26 -4.97 119.66 115.50 1u4a s GLN 89 Ca 0.04 -0.08 -0.12 0.00 0.02 0.00 0.00 55.36 55.22 1u4a s GLN 89 Cb -0.06 -1.02 -0.07 0.00 1.00 0.00 0.00 33.01 32.86 1u4a s GLN 89 CO -0.00 -0.17 0.50 1.15 -2.12 0.00 0.00 175.29 174.66 1u4a h THR 90 N 6.19 0.00 0.00 -0.19 2.02 -2.06 -3.49 112.91 115.39 1u4a h THR 90 Ca -0.31 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1u4a h THR 90 Cb 1.14 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1u4a h THR 90 CO 0.40 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.90 1u4a n GLY 91 N 0.67 3.42 0.00 2.16 0.00 -1.26 -5.38 105.19 104.79 1u4a n GLY 91 Ca -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93