#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 4.87 -0.17 6.41 1.01 -1.26 -5.08 116.67 122.46 1u4a s ASP 15 Ca 0.00 -1.63 -0.14 0.00 0.71 0.00 0.00 52.55 51.48 1u4a s ASP 15 Cb 0.00 -1.69 0.05 0.00 1.01 0.00 0.00 42.92 42.28 1u4a s ASP 15 CO 0.00 -0.33 0.44 -1.00 0.21 0.00 0.00 175.17 174.49 1u4a s HIS 16 N 1.13 -0.51 0.00 4.23 3.76 -1.26 -4.81 115.29 117.84 1u4a s HIS 16 Ca 0.00 1.21 -0.29 0.00 -0.15 0.00 0.00 55.06 55.83 1u4a s HIS 16 Cb -0.20 0.19 -0.03 0.00 1.11 0.00 0.00 32.58 33.64 1u4a s HIS 16 CO -0.04 -0.25 0.94 0.96 -0.85 0.00 0.00 174.74 175.50 1u4a s ILE 17 N 0.42 4.85 -0.34 0.60 -4.36 -0.39 -4.85 121.20 117.13 1u4a s ILE 17 Ca -0.02 1.98 -0.09 0.00 -0.26 0.00 0.00 60.65 62.26 1u4a s ILE 17 Cb -0.04 -4.28 0.02 0.00 1.25 0.00 0.00 42.46 39.41 1u4a s ILE 17 CO -0.02 0.19 0.15 0.20 0.24 0.00 0.00 174.94 175.71 1u4a s ASN 18 N 0.87 5.50 -0.04 4.36 -0.87 -1.21 -3.33 114.94 120.22 1u4a s ASN 18 Ca 0.49 -0.90 0.05 0.00 -1.57 0.00 0.00 52.86 50.94 1u4a s ASN 18 Cb -0.21 -1.96 -0.01 0.00 -0.02 0.00 0.00 41.25 39.06 1u4a s ASN 18 CO 0.27 -0.30 -0.19 -0.76 -2.57 0.00 0.00 177.10 173.54 1u4a s LEU 19 N 1.52 1.97 -0.64 0.60 2.01 -1.19 -3.39 118.68 119.56 1u4a s LEU 19 Ca 0.02 -0.39 -0.17 0.00 0.01 0.00 0.00 54.13 53.60 1u4a s LEU 19 Cb -0.19 -1.06 0.14 0.00 0.01 0.00 0.00 46.19 45.09 1u4a s LEU 19 CO 0.05 0.19 0.67 -0.54 1.01 0.00 0.00 176.35 177.74 1u4a s LYS 20 N -0.12 3.17 -0.51 1.70 1.02 -0.89 -2.76 119.74 121.35 1u4a s LYS 20 Ca -0.01 -1.71 -0.27 0.00 0.02 0.00 0.00 55.97 54.00 1u4a s LYS 20 Cb -0.11 -4.35 0.03 0.00 -0.52 0.00 0.00 37.83 32.88 1u4a s LYS 20 CO 0.02 -1.44 1.06 0.08 -0.92 0.00 0.00 175.35 174.15 1u4a s VAL 21 N 1.82 4.27 -0.22 3.17 1.01 -0.69 -2.67 120.40 127.08 1u4a s VAL 21 Ca 0.11 0.86 -0.16 0.00 0.00 0.00 0.00 61.98 62.80 1u4a s VAL 21 Cb -0.22 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1u4a s VAL 21 CO 0.01 -1.05 0.40 0.00 0.00 0.00 0.00 175.10 174.46 1u4a s ALA 22 N 4.29 3.56 0.46 5.51 0.00 0.55 -1.37 121.76 134.75 1u4a s ALA 22 Ca 0.41 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.60 1u4a s ALA 22 Cb -0.09 -2.67 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 1u4a s ALA 22 CO 0.27 -0.42 0.91 0.20 0.00 0.00 0.00 175.76 176.71 1u4a s GLY 23 N 1.23 2.12 0.56 0.00 0.00 -0.01 -0.65 107.32 110.56 1u4a s GLY 23 Ca 0.18 0.12 0.26 0.00 0.00 0.00 0.00 44.72 45.28 1u4a s GLY 23 CO 0.08 0.37 2.04 0.06 0.00 0.00 0.00 173.10 175.65 1u4a h GLN 24 N 1.31 0.00 -0.99 2.90 -0.00 -1.86 -0.40 115.11 116.06 1u4a h GLN 24 Ca -0.47 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 57.83 1u4a h GLN 24 Cb 1.18 0.00 -0.21 0.00 -0.00 0.00 0.00 27.48 28.46 1u4a h GLN 24 CO 0.62 0.00 0.44 -0.25 -0.00 0.00 0.00 178.83 179.64 1u4a n ASP 25 N -4.12 3.53 -2.82 0.06 9.92 -1.26 -4.91 116.55 116.94 1u4a n ASP 25 Ca 0.05 -3.08 -0.02 0.00 -0.53 0.00 0.00 54.79 51.21 1u4a n ASP 25 Cb 0.46 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 1u4a n ASP 25 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u4a n GLY 26 N -0.60 -1.16 2.86 0.44 0.00 -0.16 -5.05 105.19 101.52 1u4a n GLY 26 Ca 0.40 0.57 -0.13 0.00 0.00 0.00 0.00 46.02 46.87 1u4a n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u4a s SER 27 N -2.76 0.66 -0.37 1.61 0.01 -1.21 -4.90 113.70 106.74 1u4a s SER 27 Ca 0.06 -1.17 -0.20 0.00 1.31 0.00 0.00 55.95 55.95 1u4a s SER 27 Cb -0.02 0.87 0.01 0.00 0.21 0.00 0.00 66.02 67.08 1u4a s SER 27 CO 0.66 -0.28 0.62 0.54 0.41 0.00 0.00 173.24 175.20 1u4a s VAL 28 N 1.78 4.90 -0.05 3.43 0.11 -1.26 -0.83 120.40 128.48 1u4a s VAL 28 Ca 0.15 0.48 0.05 0.00 -2.93 0.00 0.00 61.98 59.73 1u4a s VAL 28 Cb -0.13 -4.08 -0.02 0.00 -1.53 0.00 0.00 36.38 30.62 1u4a s VAL 28 CO -0.12 -0.35 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.43 1u4a s VAL 29 N 2.69 2.64 0.20 2.04 1.01 -0.47 -4.92 120.40 123.58 1u4a s VAL 29 Ca 0.23 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 1u4a s VAL 29 Cb -0.15 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 1u4a s VAL 29 CO 0.15 0.58 0.70 -1.58 0.00 0.00 0.00 175.10 174.95 1u4a s GLN 30 N -0.54 4.25 0.03 2.72 0.74 -1.26 -1.71 119.66 123.88 1u4a s GLN 30 Ca 0.07 0.85 0.01 0.00 0.05 0.00 0.00 55.36 56.34 1u4a s GLN 30 Cb -0.11 -2.94 -0.02 0.00 1.10 0.00 0.00 33.01 31.04 1u4a s GLN 30 CO 0.01 0.43 -0.05 -0.06 -0.55 0.00 0.00 175.29 175.07 1u4a s PHE 31 N -1.46 0.45 -0.12 1.67 0.40 -1.11 -5.00 117.98 112.80 1u4a s PHE 31 Ca 0.41 -0.48 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1u4a s PHE 31 Cb -0.17 -0.29 0.04 0.00 0.51 0.00 0.00 43.02 43.11 1u4a s PHE 31 CO 0.21 -0.13 0.02 0.15 0.70 0.00 0.00 175.22 176.17 1u4a s LYS 32 N -1.42 0.58 0.36 0.44 -0.14 -1.26 -3.15 119.74 115.16 1u4a s LYS 32 Ca -0.12 -0.10 -0.00 0.00 -1.36 0.00 0.00 55.97 54.39 1u4a s LYS 32 Cb -0.09 -1.44 0.00 0.00 -1.68 0.00 0.00 37.83 34.62 1u4a s LYS 32 CO -0.00 -0.45 0.46 0.44 -0.76 0.00 0.00 175.35 175.04 1u4a n ILE 33 N 5.12 0.00 -2.88 2.17 -5.35 -1.21 -4.92 119.36 112.29 1u4a n ILE 33 Ca -0.08 -1.93 -0.32 0.00 -0.27 0.00 0.00 62.75 60.15 1u4a n ILE 33 Cb 0.49 1.14 -0.06 0.00 -1.74 0.00 0.00 39.64 39.47 1u4a n ILE 33 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1u4a s LYS 34 N -2.91 4.03 -0.28 6.28 0.00 -1.26 -1.26 119.74 124.33 1u4a s LYS 34 Ca 0.31 0.82 0.03 0.00 0.00 0.00 0.00 55.97 57.14 1u4a s LYS 34 Cb -0.00 -2.30 0.45 0.00 0.00 0.00 0.00 37.83 35.98 1u4a s LYS 34 CO 0.23 0.00 1.58 2.89 0.00 0.00 0.00 175.35 180.05 1u4a n ARG 35 N -0.79 1.97 -1.77 1.78 -4.01 -1.26 -4.17 116.66 108.42 1u4a n ARG 35 Ca 0.05 -1.99 -0.14 0.00 -1.04 0.00 0.00 57.85 54.73 1u4a n ARG 35 Cb 0.54 -1.80 0.06 0.00 -3.04 0.00 0.00 32.46 28.22 1u4a n ARG 35 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 1u4a n HIS 36 N -0.50 1.92 -3.68 2.89 -0.00 -1.26 -4.82 115.22 109.77 1u4a n HIS 36 Ca 0.38 -2.00 -0.14 0.00 0.46 0.00 0.00 57.72 56.42 1u4a n HIS 36 Cb 1.24 -0.30 -0.08 0.00 -0.12 0.00 0.00 29.99 30.72 1u4a n HIS 36 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1u4a s THR 37 N -4.09 0.01 1.10 3.57 -1.32 -1.26 -5.17 115.64 108.48 1u4a s THR 37 Ca 0.45 -0.06 -0.12 0.00 -1.21 0.00 0.00 61.69 60.74 1u4a s THR 37 Cb 0.39 -0.75 0.25 0.00 -1.51 0.00 0.00 72.50 70.88 1u4a s THR 37 CO 0.00 -0.04 1.05 -2.16 -2.21 0.00 0.00 174.62 171.27 1u4a s PRO 38 N -0.13 -0.38 0.60 7.08 0.04 -1.26 -4.86 135.00 136.10 1u4a s PRO 38 Ca -0.03 0.77 0.30 0.00 0.04 0.00 0.00 61.00 62.07 1u4a s PRO 38 Cb -0.03 -1.62 1.63 0.00 0.04 0.00 0.00 34.50 34.51 1u4a s PRO 38 CO 0.02 -3.34 2.02 -0.07 0.04 0.00 0.00 177.00 175.67 1u4a h LEU 39 N -2.35 0.00 -1.04 -3.56 3.38 0.21 -1.71 115.31 110.24 1u4a h LEU 39 Ca -0.58 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.57 1u4a h LEU 39 Cb 1.33 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 1u4a h LEU 39 CO 0.52 0.00 0.62 -1.28 0.09 0.00 0.00 178.44 178.39 1u4a h SER 40 N 0.00 0.78 0.50 -0.43 0.87 -1.11 0.51 113.55 114.67 1u4a h SER 40 Ca 0.11 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1u4a h SER 40 Cb 0.71 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1u4a h SER 40 CO -0.00 0.30 -0.24 0.50 -0.53 0.00 0.00 176.83 176.86 1u4a h LYS 41 N 0.77 -0.65 -0.26 2.24 3.64 -1.61 -0.81 116.57 119.89 1u4a h LYS 41 Ca 0.56 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.91 1u4a h LYS 41 Cb 0.87 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1u4a h LYS 41 CO -0.35 -0.43 -0.17 1.25 -2.27 0.00 0.00 179.45 177.48 1u4a h LEU 42 N -0.68 0.44 0.89 5.20 5.85 -1.51 -1.72 115.31 123.78 1u4a h LEU 42 Ca -0.07 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1u4a h LEU 42 Cb 0.52 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.44 1u4a h LEU 42 CO 0.11 0.63 -0.43 0.24 -0.34 0.00 0.00 178.44 178.65 1u4a h MET 43 N 0.42 -1.16 -0.94 1.25 2.86 0.25 0.44 114.93 118.05 1u4a h MET 43 Ca 0.07 0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1u4a h MET 43 Cb 0.53 0.26 -0.05 0.00 0.06 0.00 0.00 31.60 32.41 1u4a h MET 43 CO 0.03 -0.77 0.62 0.87 1.06 0.00 0.00 176.91 178.72 1u4a h LYS 44 N -1.20 1.20 -0.39 1.72 1.57 -1.17 -0.55 116.57 117.76 1u4a h LYS 44 Ca -0.12 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1u4a h LYS 44 Cb 0.92 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1u4a h LYS 44 CO 0.20 0.80 0.07 0.00 -0.57 0.00 0.00 179.45 179.94 1u4a h ALA 45 N 1.36 0.51 -0.58 3.86 0.00 -1.23 0.52 119.26 123.70 1u4a h ALA 45 Ca 0.35 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1u4a h ALA 45 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1u4a h ALA 45 CO -0.09 0.22 0.02 -0.92 0.00 0.00 0.00 179.25 178.48 1u4a h TYR 46 N 0.49 1.07 0.04 0.00 3.20 0.23 -1.19 116.97 120.80 1u4a h TYR 46 Ca 0.12 -0.17 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 1u4a h TYR 46 Cb 0.35 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.34 1u4a h TYR 46 CO 0.02 0.94 -0.24 0.77 -1.64 0.00 0.00 178.16 178.02 1u4a h SER 47 N 0.92 0.15 -0.80 -2.11 0.02 -1.01 -2.90 113.55 107.82 1u4a h SER 47 Ca 0.17 -0.94 0.04 0.00 -0.84 0.00 0.00 61.79 60.22 1u4a h SER 47 Cb 0.50 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1u4a h SER 47 CO 0.02 1.08 0.53 -0.08 -1.14 0.00 0.00 176.83 177.24 1u4a h GLU 48 N -0.75 0.95 -0.22 3.45 4.22 0.01 0.16 114.58 122.39 1u4a h GLU 48 Ca -0.04 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.27 1u4a h GLU 48 Cb 1.15 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1u4a h GLU 48 CO 0.05 0.63 -0.14 0.00 -2.18 0.00 0.00 179.01 177.36 1u4a h ARG 49 N 0.98 0.49 0.13 1.92 3.08 -1.32 -3.37 114.38 116.29 1u4a h ARG 49 Ca 0.32 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1u4a h ARG 49 Cb 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1u4a h ARG 49 CO -0.10 0.78 -0.06 0.37 -1.07 0.00 0.00 179.97 179.90 1u4a h GLN 50 N 0.19 -0.16 0.00 0.04 5.75 -1.24 -3.49 115.11 116.19 1u4a h GLN 50 Ca 0.05 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1u4a h GLN 50 Cb 0.66 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.24 1u4a h GLN 50 CO 0.04 -0.11 0.00 0.41 -2.65 0.00 0.00 178.83 176.52 1u4a n GLY 51 N 0.68 0.00 0.00 2.39 0.00 0.47 -5.10 105.19 103.62 1u4a n GLY 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.16 0.99 4.77 -0.73 -4.82 117.00 113.04 1u4a n LEU 52 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1u4a n LEU 52 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 1u4a n LEU 52 CO 0.00 0.00 -0.54 -0.44 -1.33 0.00 0.00 177.39 175.08 1u4a s SER 53 N 1.00 3.02 0.63 -1.43 0.01 -1.26 -4.66 113.70 111.01 1u4a s SER 53 Ca 0.00 -0.57 0.40 0.00 1.31 0.00 0.00 55.95 57.08 1u4a s SER 53 Cb 0.00 -1.39 2.15 0.00 0.21 0.00 0.00 66.02 66.99 1u4a s SER 53 CO 0.00 0.08 2.29 0.00 0.41 0.00 0.00 173.24 176.03 1u4a h MET 54 N 7.24 0.00 -0.70 12.44 -0.00 -1.92 -1.16 114.93 130.83 1u4a h MET 54 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.40 1u4a h MET 54 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 1u4a h MET 54 CO 0.53 0.01 0.00 -2.13 -0.00 0.00 0.00 176.91 175.32 1u4a n ARG 55 N -3.26 2.88 -2.76 -0.10 0.63 -1.26 -4.46 116.66 108.33 1u4a n ARG 55 Ca -0.03 -1.65 -0.05 0.00 -0.92 0.00 0.00 57.85 55.20 1u4a n ARG 55 Cb 0.11 -1.80 0.02 0.00 0.45 0.00 0.00 32.46 31.24 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 0.41 0.58 -3.81 -0.14 -0.00 -0.44 -5.15 117.38 108.82 1u4a n GLN 56 Ca 0.15 -1.94 -0.10 0.00 -0.00 0.00 0.00 57.00 55.11 1u4a n GLN 56 Cb 0.68 -1.42 -0.07 0.00 -0.00 0.00 0.00 30.24 29.42 1u4a n GLN 56 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1u4a s ILE 57 N 0.83 0.12 -0.11 -0.39 -1.09 -1.26 -4.62 121.20 114.69 1u4a s ILE 57 Ca 0.30 -1.00 -0.13 0.00 -2.23 0.00 0.00 60.65 57.59 1u4a s ILE 57 Cb 0.05 -1.21 0.03 0.00 -1.58 0.00 0.00 42.46 39.76 1u4a s ILE 57 CO -0.09 -0.55 0.36 -0.60 -1.23 0.00 0.00 174.94 172.82 1u4a s ARG 58 N -3.52 0.49 -0.10 2.79 3.52 -0.79 -4.98 118.95 116.37 1u4a s ARG 58 Ca 0.02 0.35 0.03 0.00 -0.13 0.00 0.00 55.73 55.99 1u4a s ARG 58 Cb 0.03 0.23 -0.01 0.00 -1.56 0.00 0.00 34.95 33.65 1u4a s ARG 58 CO -0.09 -0.09 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.05 1u4a s PHE 59 N -0.17 2.64 -0.35 5.12 0.08 -1.24 -0.66 117.98 123.39 1u4a s PHE 59 Ca -0.03 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.17 1u4a s PHE 59 Cb -0.03 -1.74 0.09 0.00 -0.57 0.00 0.00 43.02 40.77 1u4a s PHE 59 CO 0.02 -0.31 0.09 1.03 -0.10 0.00 0.00 175.22 175.94 1u4a s ARG 60 N 0.27 1.88 -0.54 0.44 1.81 0.10 -2.32 118.95 120.59 1u4a s ARG 60 Ca -0.14 -1.72 -0.21 0.00 -1.72 0.00 0.00 55.73 51.93 1u4a s ARG 60 Cb -0.17 -3.32 0.05 0.00 -0.45 0.00 0.00 34.95 31.06 1u4a s ARG 60 CO 0.07 -0.91 0.79 0.12 -0.68 0.00 0.00 175.30 174.68 1u4a s PHE 61 N 1.06 2.91 -1.65 -0.53 5.36 -0.96 0.20 117.98 124.37 1u4a s PHE 61 Ca 0.06 -0.33 -0.13 0.00 -0.96 0.00 0.00 56.93 55.57 1u4a s PHE 61 Cb -0.21 -3.83 0.12 0.00 -0.34 0.00 0.00 43.02 38.76 1u4a s PHE 61 CO -0.05 -1.22 0.59 -0.40 -1.46 0.00 0.00 175.22 172.68 1u4a n ASP 62 N 6.83 -1.94 0.00 6.13 5.75 -1.26 0.97 116.55 133.03 1u4a n ASP 62 Ca -0.03 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 1u4a n ASP 62 Cb 0.46 -2.50 0.00 0.00 -1.03 0.00 0.00 41.12 38.06 1u4a n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u4a n GLY 63 N -1.61 0.85 3.38 6.12 0.00 -1.26 -5.01 105.19 107.66 1u4a n GLY 63 Ca -0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.14 2.99 -0.03 1.61 -0.21 0.27 -5.04 119.66 119.11 1u4a s GLN 64 Ca 0.00 -1.36 -0.33 0.00 0.02 0.00 0.00 55.36 53.69 1u4a s GLN 64 Cb 0.00 -4.15 -0.12 0.00 1.00 0.00 0.00 33.01 29.74 1u4a s GLN 64 CO 0.00 -1.09 1.85 -2.30 -2.12 0.00 0.00 175.29 171.64 1u4a n PRO 65 N 5.30 2.30 -4.15 2.91 -0.02 -1.26 -2.27 135.00 137.81 1u4a n PRO 65 Ca -0.12 0.84 -0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1u4a n PRO 65 Cb 0.43 -2.70 -0.12 0.00 -0.02 0.00 0.00 33.50 31.10 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 3.63 1.01 0.35 4.25 -4.36 -0.98 -4.98 121.20 120.12 1u4a s ILE 66 Ca 0.90 -1.29 0.08 0.00 -0.26 0.00 0.00 60.65 60.08 1u4a s ILE 66 Cb -0.64 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 1u4a s ILE 66 CO 0.48 -0.27 0.21 0.21 0.24 0.00 0.00 174.94 175.81 1u4a s ASN 67 N -1.76 4.89 0.58 4.36 3.84 -1.26 -3.69 114.94 121.91 1u4a s ASN 67 Ca -0.03 -0.70 0.28 0.00 0.21 0.00 0.00 52.86 52.62 1u4a s ASN 67 Cb -0.10 -0.77 1.66 0.00 -0.55 0.00 0.00 41.25 41.49 1u4a s ASN 67 CO 0.02 -0.37 2.14 1.05 -2.79 0.00 0.00 177.10 177.16 1u4a h GLU 68 N 1.40 0.00 0.00 0.43 9.09 -1.93 -0.34 114.58 123.22 1u4a h GLU 68 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1u4a h GLU 68 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1u4a h GLU 68 CO 0.62 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.93 1u4a n THR 69 N -3.91 1.00 -1.52 -1.06 -2.24 -1.26 -0.58 114.28 104.72 1u4a n THR 69 Ca 0.00 0.53 -0.37 0.00 -2.27 0.00 0.00 64.05 61.94 1u4a n THR 69 Cb 0.25 -1.50 0.05 0.00 -2.10 0.00 0.00 70.33 67.03 1u4a n THR 69 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1u4a n ASP 70 N -2.21 0.05 0.13 3.42 -0.08 -0.14 -4.72 116.55 113.01 1u4a n ASP 70 Ca 0.00 0.75 0.00 0.00 -1.51 0.00 0.00 54.79 54.03 1u4a n ASP 70 Cb 0.11 -1.32 0.00 0.00 2.34 0.00 0.00 41.12 42.25 1u4a n ASP 70 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1u4a n THR 71 N -1.90 0.00 -0.07 5.18 -1.04 -1.26 -1.12 114.28 114.08 1u4a n THR 71 Ca 0.13 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.07 1u4a n THR 71 Cb 0.48 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.98 1u4a n THR 71 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1u4a h PRO 72 N 0.00 -0.18 -0.54 -2.82 0.11 -1.98 0.42 132.00 127.02 1u4a h PRO 72 Ca 0.00 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1u4a h PRO 72 Cb 0.00 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 1u4a h PRO 72 CO 0.00 -0.12 0.25 0.00 -0.21 0.00 0.00 178.00 177.92 1u4a h ALA 73 N 0.95 1.43 0.00 -0.75 0.00 -1.99 -1.21 119.26 117.69 1u4a h ALA 73 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1u4a h ALA 73 Cb 0.42 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1u4a h ALA 73 CO -0.40 0.45 -0.08 0.37 0.00 0.00 0.00 179.25 179.60 1u4a h GLN 74 N 0.75 0.00 0.10 0.00 4.15 -1.47 -2.46 115.11 116.18 1u4a h GLN 74 Ca 0.19 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.34 1u4a h GLN 74 Cb 0.09 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.80 1u4a h GLN 74 CO -0.02 0.08 -1.17 -0.07 -1.93 0.00 0.00 178.83 175.71 1u4a h LEU 75 N 0.00 0.62 -0.60 -2.39 -0.00 0.27 -3.28 115.31 109.93 1u4a h LEU 75 Ca -0.00 -0.58 -0.14 0.00 -0.00 0.00 0.00 57.88 57.16 1u4a h LEU 75 Cb 0.52 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 1u4a h LEU 75 CO 0.01 1.41 -0.44 -0.08 -0.00 0.00 0.00 178.44 179.34 1u4a h GLU 76 N 0.19 0.60 -4.11 1.13 4.81 -1.22 -3.38 114.58 112.59 1u4a h GLU 76 Ca -0.14 -0.33 -0.73 0.00 -0.13 0.00 0.00 59.36 58.03 1u4a h GLU 76 Cb 1.85 0.02 -0.30 0.00 0.63 0.00 0.00 28.75 30.94 1u4a h GLU 76 CO 0.21 0.92 -0.32 -1.64 -0.73 0.00 0.00 179.01 177.45 1u4a s MET 77 N -4.19 2.65 -0.39 1.92 -1.94 -0.95 -4.95 119.30 111.46 1u4a s MET 77 Ca -0.08 -1.99 0.09 0.00 -1.71 0.00 0.00 55.69 52.00 1u4a s MET 77 Cb 0.12 -3.97 0.27 0.00 2.01 0.00 0.00 34.83 33.26 1u4a s MET 77 CO 0.83 -1.21 0.56 -0.85 -0.01 0.00 0.00 175.02 174.35 1u4a n GLU 78 N 4.54 0.77 0.05 2.03 -0.00 -1.26 -4.74 120.64 122.03 1u4a n GLU 78 Ca -0.02 -3.26 0.00 0.00 -0.00 0.00 0.00 57.16 53.88 1u4a n GLU 78 Cb 0.41 -1.32 0.00 0.00 -0.00 0.00 0.00 31.44 30.53 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 1.17 -0.89 -3.53 -1.84 -0.08 -1.26 -4.77 116.55 105.35 1u4a n ASP 79 Ca 0.22 0.39 -0.28 0.00 -1.51 0.00 0.00 54.79 53.61 1u4a n ASP 79 Cb 0.56 1.09 -0.11 0.00 2.34 0.00 0.00 41.12 44.99 1u4a n ASP 79 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1u4a s GLU 80 N -1.59 1.15 -0.04 -0.67 2.12 -1.25 -3.28 118.70 115.14 1u4a s GLU 80 Ca 0.00 -2.16 0.04 0.00 0.36 0.00 0.00 54.97 53.21 1u4a s GLU 80 Cb 0.00 -1.86 -0.00 0.00 0.26 0.00 0.00 34.13 32.53 1u4a s GLU 80 CO 0.00 -1.31 -0.16 0.34 -0.54 0.00 0.00 175.26 173.60 1u4a s ASP 81 N 0.03 2.00 0.03 -1.70 -1.08 -1.22 -5.07 116.67 109.66 1u4a s ASP 81 Ca 0.27 -0.33 0.07 0.00 -0.52 0.00 0.00 52.55 52.04 1u4a s ASP 81 Cb -0.06 -0.57 -0.03 0.00 -1.46 0.00 0.00 42.92 40.80 1u4a s ASP 81 CO -0.13 0.13 -0.18 0.42 0.52 0.00 0.00 175.17 175.94 1u4a s THR 82 N 0.09 2.81 0.13 1.71 -4.23 -1.26 -2.10 115.64 112.79 1u4a s THR 82 Ca -0.04 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1u4a s THR 82 Cb -0.11 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1u4a s THR 82 CO 0.02 0.38 0.08 0.27 -0.54 0.00 0.00 174.62 174.83 1u4a s ILE 83 N -0.89 0.10 -0.34 2.99 -4.36 -1.09 -4.46 121.20 113.14 1u4a s ILE 83 Ca 0.14 -1.83 -0.01 0.00 -0.26 0.00 0.00 60.65 58.69 1u4a s ILE 83 Cb -0.10 -2.00 0.08 0.00 1.25 0.00 0.00 42.46 41.69 1u4a s ILE 83 CO 0.05 -0.46 0.07 -1.81 0.24 0.00 0.00 174.94 173.02 1u4a s ASP 84 N -3.03 4.96 -0.34 4.36 1.11 0.13 -0.33 116.67 123.53 1u4a s ASP 84 Ca 0.23 -1.71 -0.29 0.00 0.18 0.00 0.00 52.55 50.96 1u4a s ASP 84 Cb 0.07 -1.72 0.02 0.00 1.07 0.00 0.00 42.92 42.35 1u4a s ASP 84 CO 0.01 -0.38 1.08 0.54 1.18 0.00 0.00 175.17 177.60 1u4a s VAL 85 N 1.14 4.47 0.16 -1.27 0.11 0.18 0.03 120.40 125.21 1u4a s VAL 85 Ca 0.02 1.65 0.06 0.00 -2.93 0.00 0.00 61.98 60.79 1u4a s VAL 85 Cb -0.21 -4.44 -0.04 0.00 -1.53 0.00 0.00 36.38 30.17 1u4a s VAL 85 CO -0.04 -0.55 0.04 -0.36 -3.33 0.00 0.00 175.10 170.86 1u4a s PHE 86 N 3.75 2.95 0.05 1.54 0.40 0.16 -2.67 117.98 124.16 1u4a s PHE 86 Ca 0.45 -0.09 -0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1u4a s PHE 86 Cb -0.11 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 41.96 1u4a s PHE 86 CO 0.18 0.51 0.05 -0.65 0.70 0.00 0.00 175.22 176.01 1u4a s GLN 87 N -2.92 0.61 0.31 0.44 -0.21 -1.26 -1.88 119.66 114.75 1u4a s GLN 87 Ca 0.28 -0.95 0.05 0.00 0.02 0.00 0.00 55.36 54.77 1u4a s GLN 87 Cb -0.10 0.23 0.51 0.00 1.00 0.00 0.00 33.01 34.65 1u4a s GLN 87 CO 0.20 -0.14 1.76 1.96 -2.12 0.00 0.00 175.29 176.94 1u4a h GLN 88 N 3.41 0.35 -6.47 2.91 1.08 -1.98 -3.45 115.11 110.96 1u4a h GLN 88 Ca -0.33 -0.13 -0.53 0.00 -1.45 0.00 0.00 58.65 56.21 1u4a h GLN 88 Cb 1.17 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.59 1u4a h GLN 88 CO 0.56 0.60 -0.13 -0.65 -0.95 0.00 0.00 178.83 178.26 1u4a s GLN 89 N -4.43 2.22 -0.35 1.46 -0.21 -1.26 -5.05 119.66 112.04 1u4a s GLN 89 Ca -0.06 -1.81 0.06 0.00 0.02 0.00 0.00 55.36 53.58 1u4a s GLN 89 Cb 0.14 -2.48 0.46 0.00 1.00 0.00 0.00 33.01 32.13 1u4a s GLN 89 CO 0.77 -0.89 1.38 0.25 -2.12 0.00 0.00 175.29 174.68 1u4a n THR 90 N -2.18 2.69 0.00 -0.19 -2.24 -1.26 -5.07 114.28 106.04 1u4a n THR 90 Ca 0.12 -3.70 0.00 0.00 -2.27 0.00 0.00 64.05 58.20 1u4a n THR 90 Cb 0.63 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1u4a n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u4a n GLY 91 N -0.85 0.45 0.00 3.38 0.00 -1.26 -5.12 105.19 101.80 1u4a n GLY 91 Ca 0.43 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93