#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4a n ASP 15 N 0.00 -6.48 -3.25 6.41 9.92 -1.26 -5.03 116.55 116.86 1u4a n ASP 15 Ca 0.00 -0.73 -0.03 0.00 -0.53 0.00 0.00 54.79 53.50 1u4a n ASP 15 Cb 0.00 -5.07 -0.04 0.00 -0.64 0.00 0.00 41.12 35.36 1u4a n ASP 15 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1u4a s HIS 16 N -3.40 -1.24 -0.04 1.24 3.76 -1.26 -4.59 115.29 109.76 1u4a s HIS 16 Ca 0.45 1.11 -0.30 0.00 -0.15 0.00 0.00 55.06 56.18 1u4a s HIS 16 Cb -0.07 0.23 -0.02 0.00 1.11 0.00 0.00 32.58 33.82 1u4a s HIS 16 CO 0.75 -0.85 1.00 0.96 -0.85 0.00 0.00 174.74 175.75 1u4a s ILE 17 N 2.69 4.80 -0.26 0.60 -4.36 0.21 -4.87 121.20 120.01 1u4a s ILE 17 Ca 0.15 2.03 -0.25 0.00 -0.26 0.00 0.00 60.65 62.32 1u4a s ILE 17 Cb -0.14 -4.30 0.00 0.00 1.25 0.00 0.00 42.46 39.27 1u4a s ILE 17 CO -0.21 0.09 0.88 0.21 0.24 0.00 0.00 174.94 176.15 1u4a s ASN 18 N 1.06 6.85 -0.04 4.36 3.84 -1.25 -3.01 114.94 126.75 1u4a s ASN 18 Ca 0.51 1.02 0.06 0.00 0.21 0.00 0.00 52.86 54.65 1u4a s ASN 18 Cb -0.20 -2.46 -0.01 0.00 -0.55 0.00 0.00 41.25 38.03 1u4a s ASN 18 CO 0.24 -0.59 -0.22 -0.76 -2.79 0.00 0.00 177.10 172.97 1u4a s LEU 19 N 3.00 2.03 -0.60 3.21 1.02 -1.22 -1.96 118.68 124.16 1u4a s LEU 19 Ca 0.37 -0.44 -0.14 0.00 0.02 0.00 0.00 54.13 53.94 1u4a s LEU 19 Cb -0.15 -1.21 0.15 0.00 0.02 0.00 0.00 46.19 45.01 1u4a s LEU 19 CO 0.09 0.24 0.53 -0.54 0.02 0.00 0.00 176.35 176.69 1u4a s LYS 20 N -0.28 3.03 -0.28 1.70 3.01 0.22 -2.97 119.74 124.17 1u4a s LYS 20 Ca 0.02 -1.93 -0.24 0.00 -1.01 0.00 0.00 55.97 52.80 1u4a s LYS 20 Cb -0.11 -4.24 -0.00 0.00 -1.01 0.00 0.00 37.83 32.47 1u4a s LYS 20 CO 0.01 -1.29 0.82 0.08 0.51 0.00 0.00 175.35 175.49 1u4a s VAL 21 N 1.15 4.80 -0.31 3.17 1.01 -0.84 -1.70 120.40 127.67 1u4a s VAL 21 Ca 0.08 1.39 -0.08 0.00 0.00 0.00 0.00 61.98 63.37 1u4a s VAL 21 Cb -0.24 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1u4a s VAL 21 CO -0.01 -0.18 0.11 0.00 0.00 0.00 0.00 175.10 175.02 1u4a s ALA 22 N 2.94 3.12 0.55 5.51 0.00 -0.14 -2.71 121.76 131.02 1u4a s ALA 22 Ca 0.34 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 1u4a s ALA 22 Cb -0.15 -2.26 -0.07 0.00 0.00 0.00 0.00 23.12 20.65 1u4a s ALA 22 CO 0.10 -1.04 1.00 0.20 0.00 0.00 0.00 175.76 176.02 1u4a s GLY 23 N 1.51 1.94 -0.28 0.00 0.00 -1.05 -0.17 107.32 109.26 1u4a s GLY 23 Ca 0.02 0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.87 1u4a s GLY 23 CO 0.04 0.37 1.58 -0.18 0.00 0.00 0.00 173.10 174.91 1u4a n GLN 24 N -1.93 1.84 -0.87 2.90 -0.06 -1.00 -3.99 117.38 114.27 1u4a n GLN 24 Ca 0.06 -1.92 0.04 0.00 -2.00 0.00 0.00 57.00 53.19 1u4a n GLN 24 Cb 0.54 -1.76 0.07 0.00 -4.06 0.00 0.00 30.24 25.03 1u4a n GLN 24 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1u4a n ASP 25 N -0.53 1.05 -2.53 1.69 5.75 -1.26 -4.97 116.55 115.75 1u4a n ASP 25 Ca 0.38 -2.53 -0.07 0.00 -0.01 0.00 0.00 54.79 52.56 1u4a n ASP 25 Cb 1.24 -0.34 0.03 0.00 -1.03 0.00 0.00 41.12 41.03 1u4a n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u4a n GLY 26 N -0.21 -0.43 3.33 6.12 0.00 -1.26 -5.06 105.19 107.69 1u4a n GLY 26 Ca 0.08 0.24 0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.12 -1.15 -0.18 1.61 0.01 -1.26 -5.08 113.70 104.52 1u4a s SER 27 Ca 0.23 1.04 -0.08 0.00 1.31 0.00 0.00 55.95 58.45 1u4a s SER 27 Cb -0.03 2.09 -0.04 0.00 0.21 0.00 0.00 66.02 68.25 1u4a s SER 27 CO 0.45 -0.22 0.07 0.54 0.41 0.00 0.00 173.24 174.49 1u4a s VAL 28 N 2.84 4.88 0.03 3.43 0.11 -1.26 -2.53 120.40 127.90 1u4a s VAL 28 Ca 0.08 -0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1u4a s VAL 28 Cb -0.13 -3.20 0.01 0.00 -1.53 0.00 0.00 36.38 31.53 1u4a s VAL 28 CO -0.19 0.46 0.22 -0.69 -3.33 0.00 0.00 175.10 171.57 1u4a s VAL 29 N 0.33 0.09 -0.04 2.04 1.01 -1.10 -5.06 120.40 117.67 1u4a s VAL 29 Ca 0.04 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1u4a s VAL 29 Cb -0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1u4a s VAL 29 CO -0.00 -0.42 -0.25 -1.10 0.00 0.00 0.00 175.10 173.32 1u4a s GLN 30 N -2.20 2.40 0.17 2.72 -0.21 -1.26 -1.99 119.66 119.28 1u4a s GLN 30 Ca -0.08 -0.91 0.10 0.00 0.02 0.00 0.00 55.36 54.49 1u4a s GLN 30 Cb -0.03 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.82 1u4a s GLN 30 CO -0.02 0.45 -0.21 -0.06 -2.12 0.00 0.00 175.29 173.33 1u4a s PHE 31 N -0.33 2.02 -0.34 0.91 0.08 -1.16 -5.01 117.98 114.15 1u4a s PHE 31 Ca 0.02 -0.42 -0.10 0.00 0.12 0.00 0.00 56.93 56.55 1u4a s PHE 31 Cb -0.12 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1u4a s PHE 31 CO 0.02 0.38 0.17 0.21 -0.10 0.00 0.00 175.22 175.90 1u4a s LYS 32 N -2.63 3.08 0.15 0.44 2.47 -1.26 -3.38 119.74 118.61 1u4a s LYS 32 Ca 0.17 -0.89 0.09 0.00 -1.56 0.00 0.00 55.97 53.77 1u4a s LYS 32 Cb -0.07 -3.62 -0.04 0.00 -1.46 0.00 0.00 37.83 32.64 1u4a s LYS 32 CO 0.08 -0.54 -0.20 -1.50 0.16 0.00 0.00 175.35 173.35 1u4a s ILE 33 N 1.57 1.85 0.16 5.43 1.10 -1.16 -4.97 121.20 125.18 1u4a s ILE 33 Ca 0.03 -1.84 -0.00 0.00 -0.51 0.00 0.00 60.65 58.33 1u4a s ILE 33 Cb -0.18 -1.81 -0.04 0.00 0.15 0.00 0.00 42.46 40.58 1u4a s ILE 33 CO 0.06 -0.23 0.34 -1.59 -2.11 0.00 0.00 174.94 171.41 1u4a s LYS 34 N -2.56 3.50 -1.15 3.50 -2.85 -1.26 0.68 119.74 119.60 1u4a s LYS 34 Ca 0.14 -0.39 -0.05 0.00 -1.00 0.00 0.00 55.97 54.67 1u4a s LYS 34 Cb -0.07 -2.90 0.12 0.00 -2.06 0.00 0.00 37.83 32.92 1u4a s LYS 34 CO 0.06 0.47 2.43 2.89 0.10 0.00 0.00 175.35 181.30 1u4a n ARG 35 N -0.42 4.23 -1.28 1.78 1.85 -1.26 -4.09 116.66 117.46 1u4a n ARG 35 Ca -0.05 -3.31 -0.04 0.00 -1.00 0.00 0.00 57.85 53.45 1u4a n ARG 35 Cb 0.53 -2.53 -0.01 0.00 -1.05 0.00 0.00 32.46 29.40 1u4a n ARG 35 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1u4a n HIS 36 N 1.47 -0.42 -3.55 2.89 -0.00 -1.26 -4.82 115.22 109.53 1u4a n HIS 36 Ca 0.59 -0.63 -0.15 0.00 0.46 0.00 0.00 57.72 57.99 1u4a n HIS 36 Cb 0.30 0.68 -0.05 0.00 -0.12 0.00 0.00 29.99 30.80 1u4a n HIS 36 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1u4a s THR 37 N 0.03 0.02 0.78 3.57 -4.23 -1.26 -5.15 115.64 109.40 1u4a s THR 37 Ca 0.02 -0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.24 1u4a s THR 37 Cb 0.09 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.99 1u4a s THR 37 CO -0.03 -0.08 0.85 -2.65 -0.54 0.00 0.00 174.62 172.17 1u4a n PRO 38 N 0.57 0.24 0.33 3.99 -0.02 -1.26 -4.83 135.00 134.02 1u4a n PRO 38 Ca -0.19 0.14 0.22 0.00 -2.02 0.00 0.00 63.50 61.66 1u4a n PRO 38 Cb 0.59 -2.14 1.15 0.00 -0.02 0.00 0.00 33.50 33.09 1u4a n PRO 38 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u4a h LEU 39 N -0.67 0.00 -1.58 2.45 3.38 -1.48 -2.62 115.31 114.79 1u4a h LEU 39 Ca -0.46 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.75 1u4a h LEU 39 Cb 1.32 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 1u4a h LEU 39 CO 0.44 0.00 0.64 -1.28 0.09 0.00 0.00 178.44 178.33 1u4a h SER 40 N 0.00 0.33 -0.80 -0.43 0.87 -0.72 0.51 113.55 113.31 1u4a h SER 40 Ca -0.00 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.71 1u4a h SER 40 Cb 0.07 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 61.94 1u4a h SER 40 CO 0.00 0.11 0.42 0.11 -0.53 0.00 0.00 176.83 176.94 1u4a h LYS 41 N 0.31 0.66 0.02 2.24 1.79 -1.75 0.30 116.57 120.15 1u4a h LYS 41 Ca 0.50 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.81 1u4a h LYS 41 Cb 1.41 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1u4a h LYS 41 CO -0.17 0.44 -0.50 1.25 -1.08 0.00 0.00 179.45 179.39 1u4a h LEU 42 N 0.68 0.41 -1.33 2.94 5.85 -1.15 -1.69 115.31 121.02 1u4a h LEU 42 Ca 0.40 -0.80 0.07 0.00 0.84 0.00 0.00 57.88 58.39 1u4a h LEU 42 Cb 0.44 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1u4a h LEU 42 CO -0.29 1.16 0.51 -0.03 -0.34 0.00 0.00 178.44 179.45 1u4a h MET 43 N -0.30 0.77 0.04 1.25 4.05 -0.93 0.84 114.93 120.66 1u4a h MET 43 Ca -0.07 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1u4a h MET 43 Cb 1.25 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1u4a h MET 43 CO 0.10 0.51 -0.02 0.87 0.23 0.00 0.00 176.91 178.60 1u4a h LYS 44 N 0.80 -0.05 -0.57 0.39 1.79 -0.47 -2.11 116.57 116.34 1u4a h LYS 44 Ca 0.34 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.94 1u4a h LYS 44 Cb 0.31 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 1u4a h LYS 44 CO -0.12 0.50 0.39 0.00 -1.08 0.00 0.00 179.45 179.14 1u4a h ALA 45 N -0.35 2.20 0.01 3.86 0.00 -1.15 0.66 119.26 124.49 1u4a h ALA 45 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u4a h ALA 45 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1u4a h ALA 45 CO 0.01 -0.34 -0.00 -0.92 0.00 0.00 0.00 179.25 177.99 1u4a h TYR 46 N 0.25 -0.01 -0.43 0.00 5.03 -0.93 -2.65 116.97 118.23 1u4a h TYR 46 Ca 0.27 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.49 1u4a h TYR 46 Cb 0.73 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 1u4a h TYR 46 CO -0.00 0.71 -0.10 0.66 -1.32 0.00 0.00 178.16 178.10 1u4a h SER 47 N -0.98 0.75 -0.14 -2.11 4.64 -1.11 -2.22 113.55 112.38 1u4a h SER 47 Ca -0.00 -0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1u4a h SER 47 Cb 0.72 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1u4a h SER 47 CO 0.00 0.88 -0.06 -0.08 -0.87 0.00 0.00 176.83 176.70 1u4a h GLU 48 N 0.69 0.28 -0.10 4.77 4.81 0.19 -1.40 114.58 123.82 1u4a h GLU 48 Ca 0.12 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1u4a h GLU 48 Cb 0.57 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1u4a h GLU 48 CO 0.04 0.60 0.06 0.00 -0.73 0.00 0.00 179.01 178.97 1u4a h ARG 49 N -0.05 0.12 0.07 1.92 3.08 -1.42 -3.31 114.38 114.78 1u4a h ARG 49 Ca 0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1u4a h ARG 49 Cb 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1u4a h ARG 49 CO 0.02 0.08 -0.03 1.96 -1.07 0.00 0.00 179.97 180.93 1u4a h GLN 50 N 0.12 -0.09 0.00 0.04 1.08 -1.44 -3.49 115.11 111.34 1u4a h GLN 50 Ca 0.04 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1u4a h GLN 50 Cb -0.01 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1u4a h GLN 50 CO -0.01 -0.06 0.00 0.41 -0.95 0.00 0.00 178.83 178.22 1u4a n GLY 51 N -0.39 0.11 0.00 3.46 0.00 -0.58 -5.11 105.19 102.67 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 -4.60 0.99 7.99 -0.86 -5.07 117.00 115.46 1u4a n LEU 52 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 55.61 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 0.00 0.05 -0.94 -1.51 0.00 0.00 177.39 174.99 1u4a s SER 53 N -0.20 6.24 0.00 -1.43 1.04 -1.26 -4.84 113.70 113.25 1u4a s SER 53 Ca 0.00 0.24 0.20 0.00 0.48 0.00 0.00 55.95 56.87 1u4a s SER 53 Cb 0.00 -2.21 1.03 0.00 0.10 0.00 0.00 66.02 64.94 1u4a s SER 53 CO 0.00 -0.19 1.61 1.15 0.98 0.00 0.00 173.24 176.79 1u4a n MET 54 N 5.33 0.34 -0.25 4.02 0.00 -1.26 -2.59 117.12 122.70 1u4a n MET 54 Ca -0.09 0.08 0.09 0.00 0.00 0.00 0.00 57.70 57.78 1u4a n MET 54 Cb 0.51 -1.50 0.16 0.00 0.00 0.00 0.00 33.22 32.39 1u4a n MET 54 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1u4a n ARG 55 N -1.23 1.39 -2.75 3.17 1.85 -1.26 -4.83 116.66 112.98 1u4a n ARG 55 Ca 0.10 -2.83 -0.05 0.00 -1.00 0.00 0.00 57.85 54.07 1u4a n ARG 55 Cb 0.14 -1.54 0.02 0.00 -1.05 0.00 0.00 32.46 30.03 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 -1.33 0.57 -3.73 2.89 0.00 -1.07 -5.15 117.38 109.57 1u4a n GLN 56 Ca 0.17 -1.92 -0.10 0.00 -0.00 0.00 0.00 57.00 55.16 1u4a n GLN 56 Cb 0.66 -1.40 -0.06 0.00 0.00 0.00 0.00 30.24 29.44 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 0.10 -0.01 1.69 -1.09 -1.26 -4.65 121.20 116.81 1u4a s ILE 57 Ca 0.30 -0.83 -0.19 0.00 -2.23 0.00 0.00 60.65 57.70 1u4a s ILE 57 Cb 0.06 -1.25 0.03 0.00 -1.58 0.00 0.00 42.46 39.72 1u4a s ILE 57 CO -0.09 -0.45 0.40 0.00 -1.23 0.00 0.00 174.94 173.56 1u4a s ARG 58 N -3.83 0.78 0.29 2.79 1.70 -1.11 -4.89 118.95 114.68 1u4a s ARG 58 Ca 0.04 -0.13 0.10 0.00 -0.47 0.00 0.00 55.73 55.28 1u4a s ARG 58 Cb 0.03 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.72 1u4a s ARG 58 CO -0.11 -0.23 -0.08 -0.06 -1.08 0.00 0.00 175.30 173.74 1u4a s PHE 59 N -1.46 2.51 -0.11 5.89 0.08 -1.26 -0.65 117.98 122.98 1u4a s PHE 59 Ca -0.12 -0.31 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 1u4a s PHE 59 Cb -0.04 -1.18 0.05 0.00 -0.57 0.00 0.00 43.02 41.28 1u4a s PHE 59 CO 0.05 0.63 0.07 1.03 -0.10 0.00 0.00 175.22 176.90 1u4a s ARG 60 N -3.62 0.05 -0.44 0.44 0.52 -0.45 -2.41 118.95 113.03 1u4a s ARG 60 Ca 0.32 0.11 -0.08 0.00 -0.52 0.00 0.00 55.73 55.57 1u4a s ARG 60 Cb -0.04 -1.23 0.11 0.00 0.52 0.00 0.00 34.95 34.30 1u4a s ARG 60 CO 0.18 -0.50 0.28 0.12 0.02 0.00 0.00 175.30 175.40 1u4a s PHE 61 N 2.13 3.44 -1.39 -0.53 5.36 -1.05 -0.26 117.98 125.68 1u4a s PHE 61 Ca 0.03 -1.92 -0.04 0.00 -0.96 0.00 0.00 56.93 54.04 1u4a s PHE 61 Cb -0.14 -3.27 0.03 0.00 -0.34 0.00 0.00 43.02 39.29 1u4a s PHE 61 CO -0.06 -0.95 0.76 -0.25 -1.46 0.00 0.00 175.22 173.26 1u4a n ASP 62 N 4.83 -2.19 -0.45 6.13 8.00 -1.26 -1.03 116.55 130.58 1u4a n ASP 62 Ca -0.07 -0.83 -0.06 0.00 0.71 0.00 0.00 54.79 54.54 1u4a n ASP 62 Cb 0.41 -3.91 -0.03 0.00 -0.02 0.00 0.00 41.12 37.58 1u4a n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u4a n GLY 63 N -1.65 0.83 2.95 0.44 0.00 -1.26 -4.99 105.19 101.51 1u4a n GLY 63 Ca -0.20 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.48 2.21 0.64 1.61 0.74 -0.20 -5.10 119.66 117.08 1u4a s GLN 64 Ca 0.00 -2.87 -0.17 0.00 0.05 0.00 0.00 55.36 52.36 1u4a s GLN 64 Cb 0.00 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 1u4a s GLN 64 CO 0.00 -1.17 0.87 -2.30 -0.55 0.00 0.00 175.29 172.14 1u4a n PRO 65 N 2.74 0.70 -4.20 1.67 -0.02 -1.26 -2.53 135.00 132.11 1u4a n PRO 65 Ca 0.10 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 1u4a n PRO 65 Cb 0.33 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.64 0.00 0.42 4.25 -4.36 -1.01 -4.92 121.20 113.94 1u4a s ILE 66 Ca 0.74 -1.95 0.06 0.00 -0.26 0.00 0.00 60.65 59.24 1u4a s ILE 66 Cb -0.39 -2.48 -0.07 0.00 1.25 0.00 0.00 42.46 40.77 1u4a s ILE 66 CO 0.49 0.00 0.03 0.20 0.24 0.00 0.00 174.94 175.90 1u4a s ASN 67 N -3.18 3.98 0.24 4.36 -0.87 -1.26 -4.03 114.94 114.18 1u4a s ASN 67 Ca 0.38 -1.37 0.08 0.00 -1.57 0.00 0.00 52.86 50.38 1u4a s ASN 67 Cb 0.06 -0.29 0.24 0.00 -0.02 0.00 0.00 41.25 41.24 1u4a s ASN 67 CO 0.14 -0.52 1.54 1.05 -2.57 0.00 0.00 177.10 176.75 1u4a h GLU 68 N 1.67 0.07 0.00 -0.60 -0.00 -1.90 -2.95 114.58 110.86 1u4a h GLU 68 Ca -0.44 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1u4a h GLU 68 Cb 1.25 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 1u4a h GLU 68 CO 0.79 0.72 0.00 0.25 -0.00 0.00 0.00 179.01 180.77 1u4a n THR 69 N -3.76 0.00 -0.75 -1.06 -2.24 -1.26 -0.04 114.28 105.17 1u4a n THR 69 Ca -0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 1u4a n THR 69 Cb 0.67 -0.12 0.25 0.00 -2.10 0.00 0.00 70.33 69.04 1u4a n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u4a s ASP 70 N -1.22 0.38 0.16 3.42 1.11 -1.12 -4.85 116.67 114.56 1u4a s ASP 70 Ca 0.08 0.91 0.00 0.00 0.18 0.00 0.00 52.55 53.72 1u4a s ASP 70 Cb 0.04 -1.33 0.00 0.00 1.07 0.00 0.00 42.92 42.70 1u4a s ASP 70 CO 0.06 -4.48 0.00 0.35 1.18 0.00 0.00 175.17 172.28 1u4a n THR 71 N -5.04 0.00 -0.20 -1.27 -2.24 -1.26 -2.80 114.28 101.47 1u4a n THR 71 Ca 0.10 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.85 1u4a n THR 71 Cb 0.59 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.09 -0.36 -0.78 0.11 -1.96 0.22 132.00 129.14 1u4a h PRO 72 Ca 0.00 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1u4a h PRO 72 Cb 0.00 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1u4a h PRO 72 CO 0.00 -0.06 0.18 0.00 -0.21 0.00 0.00 178.00 177.91 1u4a h ALA 73 N 1.30 0.46 -0.53 -0.75 0.00 -1.98 0.83 119.26 118.59 1u4a h ALA 73 Ca 0.26 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1u4a h ALA 73 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1u4a h ALA 73 CO -0.65 0.01 0.35 0.37 0.00 0.00 0.00 179.25 179.33 1u4a h GLN 74 N 0.45 0.56 0.07 0.00 5.75 -1.57 -1.64 115.11 118.73 1u4a h GLN 74 Ca 0.12 -0.03 -0.25 0.00 -0.15 0.00 0.00 58.65 58.35 1u4a h GLN 74 Cb 0.09 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1u4a h GLN 74 CO -0.02 0.37 -1.12 1.25 -2.65 0.00 0.00 178.83 176.66 1u4a h LEU 75 N 0.58 0.28 -2.06 -2.39 6.46 -0.15 -3.23 115.31 114.80 1u4a h LEU 75 Ca 0.21 -0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1u4a h LEU 75 Cb 0.13 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1u4a h LEU 75 CO -0.06 1.21 -0.08 -0.33 -0.62 0.00 0.00 178.44 178.56 1u4a h GLU 76 N 0.06 0.00 -7.16 1.25 4.39 0.10 -3.44 114.58 109.77 1u4a h GLU 76 Ca -0.09 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.09 1u4a h GLU 76 Cb 1.85 0.00 0.20 0.00 -0.10 0.00 0.00 28.75 30.71 1u4a h GLU 76 CO 0.17 0.08 0.04 -1.33 -1.16 0.00 0.00 179.01 176.82 1u4a n MET 77 N -3.87 -0.48 0.00 2.33 2.81 -0.93 -5.02 117.12 111.97 1u4a n MET 77 Ca -0.02 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1u4a n MET 77 Cb 0.18 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.43 1u4a n MET 77 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1u4a n GLU 78 N -3.73 0.00 -0.85 0.03 2.13 -1.26 -4.99 120.64 111.97 1u4a n GLU 78 Ca 0.11 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.89 1u4a n GLU 78 Cb 0.52 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.19 1u4a n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1u4a n ASP 79 N -1.45 -0.57 -3.15 4.31 8.00 -1.26 -4.32 116.55 118.11 1u4a n ASP 79 Ca 0.00 -1.69 0.05 0.00 0.71 0.00 0.00 54.79 53.87 1u4a n ASP 79 Cb 0.00 0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 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 0.00 0.14 -0.11 -1.24 2.12 -1.12 -3.79 118.70 114.71 1u4a s GLU 80 Ca 0.02 0.18 -0.06 0.00 0.36 0.00 0.00 54.97 55.46 1u4a s GLU 80 Cb 0.02 0.09 0.05 0.00 0.26 0.00 0.00 34.13 34.54 1u4a s GLU 80 CO -0.01 -0.24 0.26 -0.51 -0.54 0.00 0.00 175.26 174.22 1u4a s ASP 81 N 2.96 -0.28 -0.03 -1.70 1.11 -0.83 -5.02 116.67 112.88 1u4a s ASP 81 Ca 0.19 0.55 -0.02 0.00 0.18 0.00 0.00 52.55 53.45 1u4a s ASP 81 Cb -0.04 0.44 -0.04 0.00 1.07 0.00 0.00 42.92 44.35 1u4a s ASP 81 CO -0.19 -0.16 0.11 0.42 1.18 0.00 0.00 175.17 176.52 1u4a s THR 82 N 1.23 4.97 0.22 -1.27 -4.23 -1.26 -0.61 115.64 114.68 1u4a s THR 82 Ca -0.09 -0.25 -0.12 0.00 -1.18 0.00 0.00 61.69 60.06 1u4a s THR 82 Cb -0.10 -3.26 -0.00 0.00 1.34 0.00 0.00 72.50 70.48 1u4a s THR 82 CO -0.08 0.41 0.41 0.27 -0.54 0.00 0.00 174.62 175.08 1u4a s ILE 83 N -1.17 0.02 -0.26 2.99 -4.36 -0.69 -4.48 121.20 113.25 1u4a s ILE 83 Ca 0.22 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 1u4a s ILE 83 Cb -0.12 -2.05 0.07 0.00 1.25 0.00 0.00 42.46 41.61 1u4a s ILE 83 CO 0.13 -0.09 -0.00 -1.81 0.24 0.00 0.00 174.94 173.40 1u4a s ASP 84 N -3.00 3.90 -0.26 4.36 1.01 0.64 -0.97 116.67 122.35 1u4a s ASP 84 Ca 0.21 -1.35 -0.26 0.00 0.71 0.00 0.00 52.55 51.86 1u4a s ASP 84 Cb 0.01 -1.11 0.00 0.00 1.01 0.00 0.00 42.92 42.83 1u4a s ASP 84 CO 0.05 -0.29 0.92 0.54 0.21 0.00 0.00 175.17 176.60 1u4a s VAL 85 N 1.42 4.74 -0.22 -1.27 0.11 0.76 -1.35 120.40 124.59 1u4a s VAL 85 Ca -0.00 1.67 -0.09 0.00 -2.93 0.00 0.00 61.98 60.63 1u4a s VAL 85 Cb -0.18 -4.22 -0.04 0.00 -1.53 0.00 0.00 36.38 30.41 1u4a s VAL 85 CO -0.10 -0.18 0.11 -0.36 -3.33 0.00 0.00 175.10 171.23 1u4a s PHE 86 N 3.07 3.23 -0.31 1.54 0.40 0.18 -2.38 117.98 123.71 1u4a s PHE 86 Ca 0.39 0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.72 1u4a s PHE 86 Cb -0.15 -2.20 0.11 0.00 0.51 0.00 0.00 43.02 41.29 1u4a s PHE 86 CO 0.09 -0.01 0.14 1.14 0.70 0.00 0.00 175.22 177.28 1u4a s GLN 87 N 0.97 0.46 -0.20 0.44 -2.07 -1.26 -2.77 119.66 115.22 1u4a s GLN 87 Ca 0.05 -0.89 -0.10 0.00 -1.82 0.00 0.00 55.36 52.60 1u4a s GLN 87 Cb -0.14 -1.48 0.04 0.00 -1.09 0.00 0.00 33.01 30.34 1u4a s GLN 87 CO 0.03 -1.05 0.20 1.04 -1.32 0.00 0.00 175.29 174.20 1u4a n GLN 88 N 4.86 -4.28 0.11 9.60 6.02 -1.26 -5.01 117.38 127.41 1u4a n GLN 88 Ca -0.01 3.26 0.00 0.00 -0.01 0.00 0.00 57.00 60.24 1u4a n GLN 88 Cb 0.41 -5.01 0.00 0.00 1.02 0.00 0.00 30.24 26.66 1u4a n GLN 88 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1u4a n GLN 89 N 1.47 0.00 -3.41 -1.09 -0.06 -1.26 -5.08 117.38 107.95 1u4a n GLN 89 Ca -0.34 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.46 1u4a n GLN 89 Cb 0.53 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.61 1u4a n GLN 89 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1u4a s THR 90 N -2.00 -0.24 0.00 1.69 2.01 -1.26 -5.12 115.64 110.71 1u4a s THR 90 Ca 0.00 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1u4a s THR 90 Cb 0.00 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1u4a s THR 90 CO 0.00 -0.64 0.00 0.61 -0.69 0.00 0.00 174.62 173.90 1u4a n GLY 91 N 4.66 4.88 0.00 4.40 0.00 -1.26 -5.19 105.19 112.68 1u4a n GLY 91 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1u4a n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93