#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ur6 h ALA 2 N 0.00 1.10 -0.23 3.04 0.00 -1.98 -1.01 119.26 120.17 1ur6 h ALA 2 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ur6 h ALA 2 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ur6 h ALA 2 CO 0.00 -0.12 0.15 1.25 0.00 0.00 0.00 179.25 180.53 1ur6 h LEU 3 N 0.55 0.27 -1.53 0.00 5.85 -1.95 -1.82 115.31 116.68 1ur6 h LEU 3 Ca 0.41 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 1ur6 h LEU 3 Cb 0.56 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ur6 h LEU 3 CO -0.35 0.21 0.00 0.50 -0.34 0.00 0.00 178.44 178.46 1ur6 h LYS 4 N 0.31 0.30 -0.30 1.25 3.64 -1.76 -2.25 116.57 117.75 1ur6 h LYS 4 Ca 0.09 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1ur6 h LYS 4 Cb -0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1ur6 h LYS 4 CO -0.02 0.33 0.01 -0.09 -2.27 0.00 0.00 179.45 177.41 1ur6 h ARG 5 N 0.30 0.53 -0.99 1.90 2.43 -0.60 0.63 114.38 118.58 1ur6 h ARG 5 Ca 0.07 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ur6 h ARG 5 Cb 0.20 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1ur6 h ARG 5 CO 0.00 0.66 0.00 -0.89 -1.51 0.00 0.00 179.97 178.24 1ur6 n ILE 6 N -4.58 0.28 0.07 1.20 5.41 -0.74 -2.31 119.36 118.69 1ur6 n ILE 6 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1ur6 n ILE 6 Cb 0.25 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 1ur6 n ILE 6 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1ur6 n HIS 7 N 0.16 -1.06 -0.19 1.39 8.25 -0.84 -4.78 115.22 118.15 1ur6 n HIS 7 Ca 0.00 0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.56 1ur6 n HIS 7 Cb 0.31 0.41 0.01 0.00 1.12 0.00 0.00 29.99 31.85 1ur6 n HIS 7 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1ur6 h LYS 8 N 0.00 0.93 -0.23 -0.41 3.64 0.20 -2.59 116.57 118.11 1ur6 h LYS 8 Ca 0.00 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1ur6 h LYS 8 Cb 0.12 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ur6 h LYS 8 CO 0.00 0.91 0.14 0.93 -2.27 0.00 0.00 179.45 179.16 1ur6 h GLU 9 N 0.81 0.31 -0.31 1.90 5.08 -1.64 0.64 114.58 121.37 1ur6 h GLU 9 Ca 0.16 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1ur6 h GLU 9 Cb 0.46 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1ur6 h GLU 9 CO 0.02 0.22 -0.08 1.25 -1.00 0.00 0.00 179.01 179.41 1ur6 h LEU 10 N 0.31 0.61 -0.07 1.33 5.85 -1.69 -0.53 115.31 121.14 1ur6 h LEU 10 Ca 0.08 -0.37 -0.25 0.00 0.84 0.00 0.00 57.88 58.18 1ur6 h LEU 10 Cb -0.01 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 40.87 1ur6 h LEU 10 CO -0.02 0.84 -0.96 -1.13 -0.34 0.00 0.00 178.44 176.83 1ur6 h ASN 11 N 0.38 0.88 -0.89 1.25 -0.73 -1.08 -2.31 115.58 113.08 1ur6 h ASN 11 Ca 0.08 -0.67 -0.01 0.00 1.87 0.00 0.00 56.30 57.57 1ur6 h ASN 11 Cb 0.58 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.86 1ur6 h ASN 11 CO 0.03 1.47 0.52 -0.78 -0.37 0.00 0.00 177.43 178.30 1ur6 h ASP 12 N 0.42 1.09 -0.12 1.15 3.58 0.31 -0.88 116.42 121.96 1ur6 h ASP 12 Ca -0.10 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1ur6 h ASP 12 Cb 1.60 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1ur6 h ASP 12 CO 0.19 0.85 0.00 0.18 -2.88 0.00 0.00 179.24 177.58 1ur6 n LEU 13 N -4.38 1.48 -0.10 2.28 4.32 -0.21 -2.08 117.00 118.32 1ur6 n LEU 13 Ca 0.10 -0.60 -0.17 0.00 -0.02 0.00 0.00 56.01 55.32 1ur6 n LEU 13 Cb 0.07 -0.08 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 1ur6 n LEU 13 CO 0.38 0.30 -0.53 0.00 -1.22 0.00 0.00 177.39 176.32 1ur6 n ALA 14 N 0.19 0.71 0.12 -1.18 0.00 -0.40 -2.01 120.51 117.94 1ur6 n ALA 14 Ca 0.17 -0.51 0.01 0.00 0.00 0.00 0.00 53.44 53.11 1ur6 n ALA 14 Cb 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 1ur6 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ur6 h ARG 15 N -1.00 0.00 -2.21 0.00 3.08 -1.53 -3.37 114.38 109.35 1ur6 h ARG 15 Ca -0.25 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.21 1ur6 h ARG 15 Cb 1.06 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.70 1ur6 h ARG 15 CO -0.15 0.53 -0.76 -0.25 -1.07 0.00 0.00 179.97 178.27 1ur6 n ASP 16 N -3.20 2.48 -4.75 7.04 8.00 -0.88 -5.10 116.55 120.13 1ur6 n ASP 16 Ca 0.01 -3.16 -0.41 0.00 0.71 0.00 0.00 54.79 51.94 1ur6 n ASP 16 Cb 0.77 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 1ur6 n ASP 16 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1ur6 s PRO 17 N -1.93 4.54 0.10 -0.24 0.02 -1.18 -4.19 135.00 132.12 1ur6 s PRO 17 Ca 0.37 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 63.28 1ur6 s PRO 17 Cb 0.14 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.50 1ur6 s PRO 17 CO -0.06 0.03 0.08 -0.35 -0.33 0.00 0.00 177.00 176.37 1ur6 n PRO 18 N 1.60 -1.46 -2.16 5.54 -0.04 -1.10 -4.92 135.00 132.46 1ur6 n PRO 18 Ca 0.01 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 1ur6 n PRO 18 Cb 0.44 -0.13 -0.03 0.00 -0.04 0.00 0.00 33.50 33.75 1ur6 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ur6 s ALA 19 N -2.72 3.63 0.00 0.55 0.00 -1.26 -3.87 121.76 118.08 1ur6 s ALA 19 Ca 0.05 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1ur6 s ALA 19 Cb -0.01 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1ur6 s ALA 19 CO 0.04 -1.24 0.00 1.04 0.00 0.00 0.00 175.76 175.60 1ur6 n GLN 20 N 6.65 0.00 -2.95 0.00 6.02 -1.26 -4.82 117.38 121.02 1ur6 n GLN 20 Ca 0.16 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.76 1ur6 n GLN 20 Cb 0.43 -0.03 -0.06 0.00 1.02 0.00 0.00 30.24 31.60 1ur6 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ur6 s SER 22 N -1.39 -0.09 0.54 0.00 0.01 0.13 -2.72 113.70 110.18 1ur6 s SER 22 Ca 0.41 0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.86 1ur6 s SER 22 Cb -0.21 0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.28 1ur6 s SER 22 CO 0.25 -0.09 0.19 0.00 0.41 0.00 0.00 173.24 174.00 1ur6 s ALA 23 N -0.18 4.36 0.00 1.44 0.00 -0.85 -0.23 121.76 126.30 1ur6 s ALA 23 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1ur6 s ALA 23 Cb -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1ur6 s ALA 23 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1ur6 n GLY 24 N -1.53 -1.16 3.89 0.00 0.00 -1.26 -4.14 105.19 100.99 1ur6 n GLY 24 Ca -0.12 0.41 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 1ur6 n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ur6 s PRO 25 N 0.00 3.06 0.51 1.61 0.04 -1.26 -4.89 135.00 134.07 1ur6 s PRO 25 Ca 0.00 0.33 0.06 0.00 0.04 0.00 0.00 61.00 61.42 1ur6 s PRO 25 Cb 0.00 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1ur6 s PRO 25 CO 0.00 -0.77 0.35 0.14 0.04 0.00 0.00 177.00 176.77 1ur6 s VAL 26 N -3.15 1.83 0.00 -0.36 -7.23 -1.26 -1.00 120.40 109.24 1ur6 s VAL 26 Ca 0.55 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1ur6 s VAL 26 Cb -0.11 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1ur6 s VAL 26 CO 0.49 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 1ur6 n GLY 27 N -1.65 2.05 0.18 2.32 0.00 0.17 -4.37 105.19 103.89 1ur6 n GLY 27 Ca -0.02 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 1ur6 n GLY 27 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ur6 h ASP 28 N 0.00 0.71 -2.63 1.61 2.03 -1.96 -3.46 116.42 112.72 1ur6 h ASP 28 Ca 0.00 -0.63 -0.56 0.00 -0.73 0.00 0.00 57.03 55.11 1ur6 h ASP 28 Cb 0.00 -0.21 -0.05 0.00 -0.83 0.00 0.00 39.33 38.24 1ur6 h ASP 28 CO 0.00 1.22 -0.53 -0.62 -1.03 0.00 0.00 179.24 178.28 1ur6 s ASP 29 N -6.77 5.82 0.36 4.15 2.15 -1.26 -5.01 116.67 116.11 1ur6 s ASP 29 Ca -0.12 -0.02 0.05 0.00 0.43 0.00 0.00 52.55 52.89 1ur6 s ASP 29 Cb 0.06 -1.61 0.68 0.00 -0.30 0.00 0.00 42.92 41.75 1ur6 s ASP 29 CO 0.85 0.06 1.93 -0.03 -0.17 0.00 0.00 175.17 177.80 1ur6 h MET 30 N 2.28 0.53 -0.72 4.34 1.85 -2.00 -1.16 114.93 120.04 1ur6 h MET 30 Ca -0.48 -0.09 -0.06 0.00 -0.61 0.00 0.00 59.70 58.46 1ur6 h MET 30 Cb 1.20 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 33.10 1ur6 h MET 30 CO 0.65 0.49 0.08 1.19 -0.40 0.00 0.00 176.91 178.92 1ur6 n PHE 31 N -4.34 1.75 -3.79 1.39 3.72 -1.26 -4.64 117.46 110.30 1ur6 n PHE 31 Ca 0.02 -0.71 -0.30 0.00 -0.05 0.00 0.00 57.45 56.41 1ur6 n PHE 31 Cb 0.19 -0.48 -0.13 0.00 -0.94 0.00 0.00 39.48 38.11 1ur6 n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1ur6 s HIS 32 N -2.41 2.36 0.60 1.38 2.46 -0.44 -1.36 115.29 117.88 1ur6 s HIS 32 Ca 0.43 -2.63 -0.12 0.00 0.47 0.00 0.00 55.06 53.21 1ur6 s HIS 32 Cb 0.33 -2.18 -0.05 0.00 -0.13 0.00 0.00 32.58 30.56 1ur6 s HIS 32 CO 0.12 -0.78 1.02 -1.58 -2.47 0.00 0.00 174.74 171.05 1ur6 s TRP 33 N 0.23 3.58 -0.76 3.88 0.51 -0.67 0.42 118.94 126.14 1ur6 s TRP 33 Ca 0.17 1.33 0.01 0.00 -2.12 0.00 0.00 56.10 55.49 1ur6 s TRP 33 Cb -0.25 -2.74 0.19 0.00 -0.81 0.00 0.00 33.47 29.86 1ur6 s TRP 33 CO -0.01 -0.63 0.60 -0.65 -0.51 0.00 0.00 176.95 175.75 1ur6 s GLN 34 N -4.93 2.82 0.56 4.98 -0.21 -0.17 -2.17 119.66 120.54 1ur6 s GLN 34 Ca 0.56 -3.13 -0.09 0.00 0.02 0.00 0.00 55.36 52.72 1ur6 s GLN 34 Cb -0.11 -3.71 -0.04 0.00 1.00 0.00 0.00 33.01 30.15 1ur6 s GLN 34 CO 0.49 -1.24 0.93 0.00 -2.12 0.00 0.00 175.29 173.35 1ur6 s ALA 35 N -1.09 3.22 0.00 6.09 0.00 -0.69 -4.27 121.76 125.03 1ur6 s ALA 35 Ca 0.24 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1ur6 s ALA 35 Cb -0.10 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 1ur6 s ALA 35 CO -0.11 -0.55 -0.16 0.99 0.00 0.00 0.00 175.76 175.93 1ur6 s THR 36 N -3.00 1.27 0.07 0.00 2.01 0.68 -0.38 115.64 116.30 1ur6 s THR 36 Ca 0.52 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.78 1ur6 s THR 36 Cb -0.11 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1ur6 s THR 36 CO 0.50 0.28 -0.13 -0.51 -0.69 0.00 0.00 174.62 174.07 1ur6 s ILE 37 N -0.50 1.04 -0.09 1.82 2.07 -0.84 0.20 121.20 124.90 1ur6 s ILE 37 Ca 0.05 -1.33 0.00 0.00 -1.41 0.00 0.00 60.65 57.97 1ur6 s ILE 37 Cb -0.07 -1.06 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 1ur6 s ILE 37 CO -0.00 -0.28 -0.08 -0.04 -1.91 0.00 0.00 174.94 172.63 1ur6 s MET 38 N -1.85 3.01 0.62 3.50 -1.94 -0.89 -3.91 119.30 117.84 1ur6 s MET 38 Ca -0.02 -0.59 -0.15 0.00 -1.71 0.00 0.00 55.69 53.23 1ur6 s MET 38 Cb -0.09 -2.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 1ur6 s MET 38 CO 0.02 0.50 1.06 0.20 -0.01 0.00 0.00 175.02 176.79 1ur6 s GLY 39 N -0.37 2.02 0.65 -0.03 0.00 0.74 -4.85 107.32 105.48 1ur6 s GLY 39 Ca 0.05 0.32 -0.13 0.00 0.00 0.00 0.00 44.72 44.96 1ur6 s GLY 39 CO 0.02 0.64 1.06 2.56 0.00 0.00 0.00 173.10 177.39 1ur6 s PRO 40 N -4.30 3.06 0.24 2.90 0.04 -1.26 -4.44 135.00 131.23 1ur6 s PRO 40 Ca 0.62 1.11 0.16 0.00 0.04 0.00 0.00 61.00 62.94 1ur6 s PRO 40 Cb -0.16 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1ur6 s PRO 40 CO 0.41 -1.01 1.31 -2.95 0.04 0.00 0.00 177.00 174.80 1ur6 h ASN 41 N -0.15 0.00 0.07 6.66 -1.07 -1.97 -3.29 115.58 115.83 1ur6 h ASN 41 Ca -0.45 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 55.76 1ur6 h ASN 41 Cb 1.22 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.46 1ur6 h ASN 41 CO 0.56 0.48 -0.53 -2.24 0.07 0.00 0.00 177.43 175.78 1ur6 h ASP 42 N 0.00 0.56 -2.17 6.14 3.04 -1.93 -3.45 116.42 118.61 1ur6 h ASP 42 Ca -0.04 -0.29 -0.45 0.00 -3.24 0.00 0.00 57.03 53.02 1ur6 h ASP 42 Cb 1.40 -0.16 0.01 0.00 -1.04 0.00 0.00 39.33 39.54 1ur6 h ASP 42 CO 0.06 0.98 -0.27 -0.44 -2.04 0.00 0.00 179.24 177.52 1ur6 s SER 43 N -6.90 5.98 -0.37 4.15 0.01 -1.24 -4.97 113.70 110.36 1ur6 s SER 43 Ca -0.07 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.16 1ur6 s SER 43 Cb 0.12 -1.43 -0.11 0.00 0.21 0.00 0.00 66.02 64.81 1ur6 s SER 43 CO 0.83 -0.47 2.22 -0.81 0.41 0.00 0.00 173.24 175.42 1ur6 n PRO 44 N -1.75 1.53 -4.26 12.44 -0.04 -1.26 -4.74 135.00 136.92 1ur6 n PRO 44 Ca -0.01 -0.93 -0.17 0.00 -0.04 0.00 0.00 63.50 62.36 1ur6 n PRO 44 Cb 0.58 -2.05 -0.11 0.00 -0.04 0.00 0.00 33.50 31.88 1ur6 n PRO 44 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ur6 s TYR 45 N 2.47 1.39 0.30 0.54 2.02 -1.25 -3.17 117.35 119.64 1ur6 s TYR 45 Ca 0.39 -0.63 0.04 0.00 -0.37 0.00 0.00 57.07 56.50 1ur6 s TYR 45 Cb 0.15 -0.70 -0.02 0.00 -0.40 0.00 0.00 41.96 40.99 1ur6 s TYR 45 CO -0.01 0.15 0.15 0.00 -1.57 0.00 0.00 175.55 174.26 1ur6 n GLN 46 N 0.13 0.55 0.00 -0.62 10.64 -1.26 -4.43 117.38 122.39 1ur6 n GLN 46 Ca -0.12 -2.65 0.00 0.00 -1.83 0.00 0.00 57.00 52.40 1ur6 n GLN 46 Cb 0.59 1.66 0.00 0.00 -0.86 0.00 0.00 30.24 31.62 1ur6 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ur6 n GLY 47 N -0.23 -1.16 7.00 2.61 0.00 -1.26 -0.18 105.19 111.97 1ur6 n GLY 47 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ur6 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ur6 n GLY 48 N 0.93 3.04 2.77 -0.02 0.00 -1.26 -4.27 105.19 106.38 1ur6 n GLY 48 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1ur6 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ur6 s VAL 49 N 0.00 -0.52 -0.52 1.61 0.11 -1.26 -4.99 120.40 114.82 1ur6 s VAL 49 Ca 0.00 -1.15 -0.17 0.00 -2.93 0.00 0.00 61.98 57.72 1ur6 s VAL 49 Cb 0.00 -0.46 0.08 0.00 -1.53 0.00 0.00 36.38 34.48 1ur6 s VAL 49 CO 0.00 -0.43 0.55 -0.36 -3.33 0.00 0.00 175.10 171.53 1ur6 s PHE 50 N 1.05 3.13 0.02 1.54 0.08 -1.25 -4.88 117.98 117.66 1ur6 s PHE 50 Ca 0.24 -0.86 -0.21 0.00 0.12 0.00 0.00 56.93 56.22 1ur6 s PHE 50 Cb -0.05 -3.56 -0.06 0.00 -0.57 0.00 0.00 43.02 38.79 1ur6 s PHE 50 CO -0.07 -1.01 0.62 -0.06 -0.10 0.00 0.00 175.22 174.60 1ur6 s PHE 51 N 2.18 3.71 -0.14 0.36 0.08 -1.26 -1.98 117.98 120.93 1ur6 s PHE 51 Ca 0.09 1.26 -0.02 0.00 0.12 0.00 0.00 56.93 58.38 1ur6 s PHE 51 Cb -0.23 -2.63 0.04 0.00 -0.57 0.00 0.00 43.02 39.63 1ur6 s PHE 51 CO 0.08 0.37 -0.00 -0.48 -0.10 0.00 0.00 175.22 175.08 1ur6 s LEU 52 N -0.30 1.06 -0.49 -0.37 2.34 0.49 -0.83 118.68 120.58 1ur6 s LEU 52 Ca 0.32 -0.49 -0.23 0.00 0.06 0.00 0.00 54.13 53.79 1ur6 s LEU 52 Cb -0.19 -0.63 0.03 0.00 -0.56 0.00 0.00 46.19 44.85 1ur6 s LEU 52 CO 0.18 -0.23 0.84 0.42 -1.06 0.00 0.00 176.35 176.50 1ur6 s THR 53 N 1.84 4.57 -0.15 5.48 -4.23 0.05 -1.71 115.64 121.49 1ur6 s THR 53 Ca 0.02 0.35 -0.08 0.00 -1.18 0.00 0.00 61.69 60.80 1ur6 s THR 53 Cb -0.15 -4.40 -0.04 0.00 1.34 0.00 0.00 72.50 69.25 1ur6 s THR 53 CO -0.07 -0.86 0.14 -0.63 -0.54 0.00 0.00 174.62 172.66 1ur6 s ILE 54 N 3.49 5.46 -0.12 2.99 1.01 -0.92 -0.88 121.20 132.22 1ur6 s ILE 54 Ca 0.30 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 1ur6 s ILE 54 Cb -0.13 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1ur6 s ILE 54 CO 0.21 0.55 -0.09 -2.28 0.00 0.00 0.00 174.94 173.33 1ur6 s HIS 55 N -0.51 2.89 -0.13 3.97 2.46 0.15 -1.66 115.29 122.47 1ur6 s HIS 55 Ca 0.12 -0.40 0.01 0.00 0.47 0.00 0.00 55.06 55.26 1ur6 s HIS 55 Cb -0.12 -1.85 -0.01 0.00 -0.13 0.00 0.00 32.58 30.47 1ur6 s HIS 55 CO 0.02 -0.05 -0.16 -0.06 -2.47 0.00 0.00 174.74 172.02 1ur6 s PHE 56 N 0.12 2.76 0.80 3.88 0.40 -0.47 -1.31 117.98 124.17 1ur6 s PHE 56 Ca -0.04 -0.83 -0.05 0.00 -0.60 0.00 0.00 56.93 55.42 1ur6 s PHE 56 Cb -0.14 -1.83 0.16 0.00 0.51 0.00 0.00 43.02 41.72 1ur6 s PHE 56 CO 0.04 -0.32 1.10 -1.25 0.70 0.00 0.00 175.22 175.49 1ur6 s PRO 57 N 0.49 1.27 0.30 0.24 0.04 -1.26 -4.84 135.00 131.22 1ur6 s PRO 57 Ca -0.11 -1.03 0.11 0.00 0.04 0.00 0.00 61.00 60.01 1ur6 s PRO 57 Cb -0.16 -2.20 0.45 0.00 0.04 0.00 0.00 34.50 32.63 1ur6 s PRO 57 CO 0.05 -1.80 1.67 1.15 0.04 0.00 0.00 177.00 178.11 1ur6 h THR 58 N -0.88 1.39 -0.22 1.26 2.02 -1.99 -2.39 112.91 112.10 1ur6 h THR 58 Ca -0.37 -1.89 -0.08 0.00 0.77 0.00 0.00 66.41 64.84 1ur6 h THR 58 Cb 1.25 2.01 -0.05 0.00 -1.74 0.00 0.00 68.15 69.63 1ur6 h THR 58 CO 0.37 0.54 0.10 0.47 0.37 0.00 0.00 175.52 177.37 1ur6 n ASP 59 N -3.89 2.80 -0.06 4.18 9.92 -1.26 -4.46 116.55 123.78 1ur6 n ASP 59 Ca -0.01 -2.35 -0.07 0.00 -0.53 0.00 0.00 54.79 51.82 1ur6 n ASP 59 Cb 0.56 -0.57 -0.01 0.00 -0.64 0.00 0.00 41.12 40.46 1ur6 n ASP 59 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1ur6 h TYR 60 N 0.63 -0.40 0.00 1.24 3.20 -1.63 0.49 116.97 120.50 1ur6 h TYR 60 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1ur6 h TYR 60 Cb 1.24 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.73 1ur6 h TYR 60 CO 0.37 -0.23 0.00 -0.35 -1.64 0.00 0.00 178.16 176.31 1ur6 n PRO 61 N -5.33 0.87 0.10 1.82 -0.04 -1.26 -3.78 135.00 127.38 1ur6 n PRO 61 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ur6 n PRO 61 Cb 0.24 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1ur6 n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ur6 n PHE 62 N 0.39 -1.70 -4.24 0.54 3.72 -0.31 -3.03 117.46 112.83 1ur6 n PHE 62 Ca 0.00 0.30 -0.29 0.00 -0.05 0.00 0.00 57.45 57.41 1ur6 n PHE 62 Cb 0.36 0.56 -0.10 0.00 -0.94 0.00 0.00 39.48 39.37 1ur6 n PHE 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ur6 s LYS 63 N -2.00 2.11 0.41 -1.08 3.01 0.16 -4.56 119.74 117.78 1ur6 s LYS 63 Ca 0.00 -1.09 -0.27 0.00 -1.01 0.00 0.00 55.97 53.60 1ur6 s LYS 63 Cb 0.00 -2.26 -0.10 0.00 -1.01 0.00 0.00 37.83 34.46 1ur6 s LYS 63 CO 0.00 0.49 1.46 -2.14 0.51 0.00 0.00 175.35 175.66 1ur6 s PRO 64 N -2.39 3.91 1.09 -1.68 0.02 -1.26 -4.38 135.00 130.30 1ur6 s PRO 64 Ca 0.22 2.50 -0.18 0.00 0.02 0.00 0.00 61.00 63.56 1ur6 s PRO 64 Cb -0.10 -2.82 0.24 0.00 0.02 0.00 0.00 34.50 31.84 1ur6 s PRO 64 CO 0.14 -0.67 1.20 -2.14 -0.33 0.00 0.00 177.00 175.21 1ur6 s PRO 65 N -2.26 -0.33 -0.17 5.54 0.02 -1.26 -4.97 135.00 131.57 1ur6 s PRO 65 Ca 0.57 -0.19 -0.03 0.00 0.02 0.00 0.00 61.00 61.37 1ur6 s PRO 65 Cb -0.45 -1.71 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 1ur6 s PRO 65 CO 0.60 -3.09 -0.07 0.15 -0.33 0.00 0.00 177.00 174.26 1ur6 s LYS 66 N -5.60 3.48 -0.28 5.54 -0.14 -0.43 -4.98 119.74 117.33 1ur6 s LYS 66 Ca 0.72 -0.61 -0.04 0.00 -1.36 0.00 0.00 55.97 54.68 1ur6 s LYS 66 Cb -0.08 -2.86 0.02 0.00 -1.68 0.00 0.00 37.83 33.24 1ur6 s LYS 66 CO 0.55 0.08 0.02 0.08 -0.76 0.00 0.00 175.35 175.32 1ur6 s VAL 67 N 0.75 3.45 -0.34 3.17 1.01 -1.26 0.34 120.40 127.52 1ur6 s VAL 67 Ca -0.03 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1ur6 s VAL 67 Cb -0.15 -2.80 0.09 0.00 0.00 0.00 0.00 36.38 33.52 1ur6 s VAL 67 CO 0.02 0.09 0.06 0.00 0.00 0.00 0.00 175.10 175.27 1ur6 s ALA 68 N 1.40 2.91 -0.01 5.51 0.00 -0.06 -3.30 121.76 128.21 1ur6 s ALA 68 Ca 0.01 -2.31 -0.30 0.00 0.00 0.00 0.00 51.96 49.36 1ur6 s ALA 68 Cb -0.17 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.83 1ur6 s ALA 68 CO -0.00 -1.59 1.83 0.12 0.00 0.00 0.00 175.76 176.12 1ur6 s PHE 69 N 1.05 1.59 0.03 0.00 2.19 0.12 -0.77 117.98 122.19 1ur6 s PHE 69 Ca 0.05 -0.15 -0.18 0.00 0.33 0.00 0.00 56.93 56.98 1ur6 s PHE 69 Cb -0.20 -4.10 -0.24 0.00 -1.31 0.00 0.00 43.02 37.17 1ur6 s PHE 69 CO -0.05 -4.77 1.12 1.15 1.83 0.00 0.00 175.22 174.50 1ur6 h THR 70 N 5.64 1.37 -3.33 0.12 2.02 -1.31 -3.36 112.91 114.06 1ur6 h THR 70 Ca -0.45 -2.18 -0.57 0.00 0.77 0.00 0.00 66.41 63.98 1ur6 h THR 70 Cb 1.21 2.55 -0.06 0.00 -1.74 0.00 0.00 68.15 70.11 1ur6 h THR 70 CO 0.95 0.65 0.32 -0.89 0.37 0.00 0.00 175.52 176.92 1ur6 s THR 71 N -3.20 4.91 -0.76 3.16 2.01 -0.09 -4.97 115.64 116.71 1ur6 s THR 71 Ca -0.12 1.61 -0.26 0.00 0.31 0.00 0.00 61.69 63.23 1ur6 s THR 71 Cb 0.05 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1ur6 s THR 71 CO 0.86 0.08 1.72 -0.60 -0.69 0.00 0.00 174.62 175.99 1ur6 s ARG 72 N 1.84 2.83 -0.13 4.92 3.52 -1.26 -4.82 118.95 125.85 1ur6 s ARG 72 Ca 0.39 0.01 -0.04 0.00 -0.13 0.00 0.00 55.73 55.96 1ur6 s ARG 72 Cb -0.17 -4.63 -0.03 0.00 -1.56 0.00 0.00 34.95 28.56 1ur6 s ARG 72 CO 0.14 -2.72 0.02 -1.50 -0.81 0.00 0.00 175.30 170.43 1ur6 s ILE 73 N 8.19 4.43 -1.09 4.11 2.07 -1.26 -4.92 121.20 132.72 1ur6 s ILE 73 Ca 0.59 -0.18 -0.22 0.00 -1.41 0.00 0.00 60.65 59.43 1ur6 s ILE 73 Cb -0.09 -2.92 0.02 0.00 0.13 0.00 0.00 42.46 39.60 1ur6 s ILE 73 CO 0.11 0.55 1.69 -0.47 -1.91 0.00 0.00 174.94 174.90 1ur6 s TYR 74 N -0.31 2.38 -0.09 3.50 6.14 -1.26 -4.80 117.35 122.90 1ur6 s TYR 74 Ca 0.07 -0.58 0.01 0.00 0.64 0.00 0.00 57.07 57.21 1ur6 s TYR 74 Cb -0.12 -4.49 0.02 0.00 0.42 0.00 0.00 41.96 37.78 1ur6 s TYR 74 CO 0.02 -1.77 -0.10 -1.58 0.64 0.00 0.00 175.55 172.76 1ur6 s HIS 75 N 6.59 1.52 0.56 4.97 2.46 -1.26 -4.79 115.29 125.35 1ur6 s HIS 75 Ca 0.56 -0.68 0.36 0.00 0.47 0.00 0.00 55.06 55.77 1ur6 s HIS 75 Cb -0.00 -1.18 1.49 0.00 -0.13 0.00 0.00 32.58 32.76 1ur6 s HIS 75 CO -0.00 -0.41 1.74 -1.35 -2.47 0.00 0.00 174.74 172.24 1ur6 h PRO 76 N 7.60 0.00 -0.41 2.88 0.11 -1.91 0.46 132.00 140.73 1ur6 h PRO 76 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ur6 h PRO 76 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ur6 h PRO 76 CO 0.45 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.33 1ur6 n ASN 77 N -3.97 3.25 -3.87 -2.05 5.03 -1.26 -3.83 115.26 108.56 1ur6 n ASN 77 Ca 0.24 -1.93 -0.30 0.00 0.87 0.00 0.00 54.58 53.46 1ur6 n ASN 77 Cb 1.26 -0.27 -0.15 0.00 -1.02 0.00 0.00 39.78 39.60 1ur6 n ASN 77 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ur6 s ILE 78 N -1.18 1.41 0.67 2.41 1.01 0.16 -4.49 121.20 121.20 1ur6 s ILE 78 Ca 0.34 -1.55 -0.16 0.00 0.00 0.00 0.00 60.65 59.28 1ur6 s ILE 78 Cb 0.19 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1ur6 s ILE 78 CO 0.26 -0.46 1.17 0.20 0.00 0.00 0.00 174.94 176.10 1ur6 s ASN 79 N 1.38 4.76 0.57 3.58 0.02 -0.92 -3.98 114.94 120.35 1ur6 s ASN 79 Ca 0.05 2.21 0.26 0.00 -1.02 0.00 0.00 52.86 54.36 1ur6 s ASN 79 Cb -0.18 -2.58 1.59 0.00 0.02 0.00 0.00 41.25 40.10 1ur6 s ASN 79 CO -0.14 -1.87 2.13 0.28 0.02 0.00 0.00 177.10 177.51 1ur6 h SER 80 N 0.07 0.00 0.97 -1.22 0.02 -1.91 0.24 113.55 111.73 1ur6 h SER 80 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ur6 h SER 80 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1ur6 h SER 80 CO 0.52 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.75 1ur6 n ASN 81 N -4.02 0.46 0.00 3.07 6.94 -1.26 -4.75 115.26 115.70 1ur6 n ASN 81 Ca 0.01 0.58 0.00 0.00 -0.02 0.00 0.00 54.58 55.14 1ur6 n ASN 81 Cb 0.27 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 1ur6 n ASN 81 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ur6 n GLY 82 N 0.69 0.66 3.61 4.83 0.00 0.86 -4.76 105.19 111.08 1ur6 n GLY 82 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1ur6 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ur6 s SER 83 N -2.46 6.37 -0.31 1.61 0.01 -1.25 0.13 113.70 117.80 1ur6 s SER 83 Ca 0.00 1.08 -0.00 0.00 1.31 0.00 0.00 55.95 58.34 1ur6 s SER 83 Cb 0.00 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.79 1ur6 s SER 83 CO 0.00 -1.36 0.09 -0.51 0.41 0.00 0.00 173.24 171.87 1ur6 s ILE 84 N 5.33 1.04 -0.53 1.44 1.10 -1.21 -2.16 121.20 126.21 1ur6 s ILE 84 Ca 0.64 -1.48 -0.18 0.00 -0.51 0.00 0.00 60.65 59.13 1ur6 s ILE 84 Cb -0.17 -1.76 0.09 0.00 0.15 0.00 0.00 42.46 40.76 1ur6 s ILE 84 CO 0.30 -0.64 0.57 0.00 -2.11 0.00 0.00 174.94 173.06 1ur6 n LEU 86 N 5.82 4.33 -0.23 0.00 7.99 -1.26 -4.90 117.00 128.75 1ur6 n LEU 86 Ca -0.10 1.15 -0.03 0.00 -0.01 0.00 0.00 56.01 57.02 1ur6 n LEU 86 Cb 0.43 -1.54 0.15 0.00 -0.11 0.00 0.00 43.42 42.35 1ur6 n LEU 86 CO 0.54 -0.38 1.10 -0.78 -1.51 0.00 0.00 177.39 176.36 1ur6 h ASP 87 N 2.34 0.95 0.85 -1.43 3.58 -1.96 -1.10 116.42 119.66 1ur6 h ASP 87 Ca -0.49 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 56.85 1ur6 h ASP 87 Cb 1.28 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1ur6 h ASP 87 CO 0.61 0.81 0.00 0.16 -2.88 0.00 0.00 179.24 177.94 1ur6 h ILE 88 N 1.04 0.00 -0.38 2.25 3.07 -1.98 -2.08 117.51 119.43 1ur6 h ILE 88 Ca 0.25 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.36 1ur6 h ILE 88 Cb 0.11 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 1ur6 h ILE 88 CO -0.03 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.25 1ur6 n LEU 89 N -2.38 2.28 -4.30 0.16 4.32 -0.42 -4.44 117.00 112.22 1ur6 n LEU 89 Ca 0.02 -1.09 -0.16 0.00 -0.02 0.00 0.00 56.01 54.76 1ur6 n LEU 89 Cb 0.26 -0.25 -0.10 0.00 -1.62 0.00 0.00 43.42 41.71 1ur6 n LEU 89 CO 0.22 0.55 -0.41 -0.13 -1.22 0.00 0.00 177.39 176.40 1ur6 s ARG 90 N -1.50 1.21 -1.19 3.23 0.52 -0.78 -4.79 118.95 115.64 1ur6 s ARG 90 Ca 0.31 -1.54 -0.04 0.00 -0.52 0.00 0.00 55.73 53.93 1ur6 s ARG 90 Cb 0.16 -0.80 -0.02 0.00 0.52 0.00 0.00 34.95 34.81 1ur6 s ARG 90 CO 0.22 0.09 0.86 0.43 0.02 0.00 0.00 175.30 176.91 1ur6 n SER 91 N -0.30 -3.39 -2.05 0.23 7.64 -1.26 -4.51 113.62 109.98 1ur6 n SER 91 Ca -0.09 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1ur6 n SER 91 Cb 0.61 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 1ur6 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ur6 n GLN 92 N -3.94 -4.15 -3.86 1.43 1.13 -1.26 -5.07 117.38 101.66 1ur6 n GLN 92 Ca -0.21 3.11 -0.24 0.00 -1.94 0.00 0.00 57.00 57.72 1ur6 n GLN 92 Cb 0.65 -3.82 -0.04 0.00 0.11 0.00 0.00 30.24 27.14 1ur6 n GLN 92 CO 0.00 0.00 0.00 1.67 -1.44 0.00 0.00 177.06 177.29 1ur6 s TRP 93 N -0.47 2.43 -0.12 1.08 1.48 -1.26 -5.00 118.94 117.08 1ur6 s TRP 93 Ca 0.00 -0.61 -0.29 0.00 -1.06 0.00 0.00 56.10 54.14 1ur6 s TRP 93 Cb 0.00 -2.03 -0.04 0.00 -1.16 0.00 0.00 33.47 30.24 1ur6 s TRP 93 CO 0.00 -0.08 1.58 -1.12 -4.06 0.00 0.00 176.95 173.27 1ur6 s SER 94 N -4.07 6.64 0.00 -2.66 0.01 -1.26 -4.94 113.70 107.41 1ur6 s SER 94 Ca 0.42 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1ur6 s SER 94 Cb -0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ur6 s SER 94 CO 0.24 -0.98 0.45 -2.65 0.41 0.00 0.00 173.24 170.71 1ur6 n PRO 95 N 7.18 0.00 -2.17 12.44 -0.02 -1.26 -2.12 135.00 149.05 1ur6 n PRO 95 Ca 0.17 0.45 -0.39 0.00 -2.02 0.00 0.00 63.50 61.71 1ur6 n PRO 95 Cb 0.44 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1ur6 n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ur6 n ALA 96 N -1.32 6.47 -1.76 3.55 0.00 -1.17 -2.66 120.51 123.62 1ur6 n ALA 96 Ca 0.00 -4.16 -0.39 0.00 0.00 0.00 0.00 53.44 48.89 1ur6 n ALA 96 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.00 1ur6 n ALA 96 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ur6 s LEU 97 N -3.18 4.53 0.39 0.00 2.96 -0.90 -5.02 118.68 117.46 1ur6 s LEU 97 Ca 0.49 1.98 -0.20 0.00 -0.22 0.00 0.00 54.13 56.18 1ur6 s LEU 97 Cb 0.24 -3.74 -0.10 0.00 0.50 0.00 0.00 46.19 43.08 1ur6 s LEU 97 CO -0.16 0.02 0.90 0.28 -1.32 0.00 0.00 176.35 176.07 1ur6 s THR 98 N -1.31 4.44 0.37 3.68 -1.32 -1.26 -4.93 115.64 115.31 1ur6 s THR 98 Ca 0.45 1.40 0.39 0.00 -1.21 0.00 0.00 61.69 62.72 1ur6 s THR 98 Cb -0.25 -3.65 0.42 0.00 -1.51 0.00 0.00 72.50 67.50 1ur6 s THR 98 CO 0.31 -0.23 2.17 -0.29 -2.21 0.00 0.00 174.62 174.38 1ur6 h ILE 99 N 2.02 0.00 -0.73 5.08 6.09 -1.99 -2.82 117.51 125.16 1ur6 h ILE 99 Ca -0.48 -0.24 0.09 0.00 -1.37 0.00 0.00 64.86 62.86 1ur6 h ILE 99 Cb 1.18 1.22 -0.07 0.00 0.47 0.00 0.00 36.82 39.62 1ur6 h ILE 99 CO 0.62 0.00 0.37 0.28 -3.07 0.00 0.00 178.15 176.35 1ur6 h SER 100 N 0.00 0.49 0.36 2.19 0.02 -1.96 0.51 113.55 115.15 1ur6 h SER 100 Ca 0.00 0.06 -0.24 0.00 -0.84 0.00 0.00 61.79 60.77 1ur6 h SER 100 Cb 0.24 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.76 1ur6 h SER 100 CO 0.00 0.27 -1.02 0.50 -1.14 0.00 0.00 176.83 175.44 1ur6 h LYS 101 N 0.62 0.41 -0.23 3.45 1.63 -1.91 -2.85 116.57 117.70 1ur6 h LYS 101 Ca 0.36 -0.49 0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1ur6 h LYS 101 Cb 0.38 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 1ur6 h LYS 101 CO -0.27 1.15 0.13 0.28 -3.45 0.00 0.00 179.45 177.30 1ur6 h VAL 102 N 0.21 1.02 -0.70 2.00 2.07 -1.37 -1.04 116.25 118.44 1ur6 h VAL 102 Ca -0.10 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1ur6 h VAL 102 Cb 1.68 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1ur6 h VAL 102 CO 0.18 0.05 0.20 -0.07 0.02 0.00 0.00 177.57 177.95 1ur6 h LEU 103 N 0.28 1.03 -1.64 2.57 3.38 -0.99 -2.28 115.31 117.65 1ur6 h LEU 103 Ca 0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1ur6 h LEU 103 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1ur6 h LEU 103 CO -0.05 0.97 -0.18 -0.07 0.09 0.00 0.00 178.44 179.20 1ur6 h LEU 104 N 1.05 0.00 -1.19 1.67 3.38 -1.20 -1.90 115.31 117.12 1ur6 h LEU 104 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1ur6 h LEU 104 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ur6 h LEU 104 CO -0.00 0.18 -0.37 0.28 0.09 0.00 0.00 178.44 178.62 1ur6 h SER 105 N 0.00 0.06 -0.13 -0.43 0.02 -0.60 -2.52 113.55 109.95 1ur6 h SER 105 Ca -0.00 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1ur6 h SER 105 Cb 0.32 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1ur6 h SER 105 CO 0.02 0.43 -0.36 0.40 -1.14 0.00 0.00 176.83 176.19 1ur6 h ILE 106 N 0.06 1.29 -0.41 3.27 2.04 -1.26 -1.57 117.51 120.92 1ur6 h ILE 106 Ca 0.00 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1ur6 h ILE 106 Cb 0.68 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1ur6 h ILE 106 CO 0.05 0.48 0.13 0.00 0.00 0.00 0.00 178.15 178.82 1ur6 h SER 108 N 0.52 0.33 1.49 0.00 0.02 -1.35 -1.99 113.55 112.57 1ur6 h SER 108 Ca 0.13 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1ur6 h SER 108 Cb 0.25 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ur6 h SER 108 CO -0.01 0.57 -0.03 0.25 -1.14 0.00 0.00 176.83 176.48 1ur6 h LEU 109 N 0.30 0.00 -0.17 5.07 5.85 -0.87 -3.04 115.31 122.44 1ur6 h LEU 109 Ca 0.05 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.54 1ur6 h LEU 109 Cb 0.59 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1ur6 h LEU 109 CO 0.04 0.03 -0.85 -0.07 -0.34 0.00 0.00 178.44 177.25 1ur6 h LEU 110 N 0.00 0.79 -8.24 2.25 4.07 -0.35 -3.24 115.31 110.58 1ur6 h LEU 110 Ca -0.00 -0.56 -0.59 0.00 0.08 0.00 0.00 57.88 56.81 1ur6 h LEU 110 Cb 0.78 -0.24 -0.11 0.00 1.08 0.00 0.00 40.66 42.17 1ur6 h LEU 110 CO 0.00 1.35 0.96 0.00 -1.08 0.00 0.00 178.44 179.67 1ur6 n ASP 112 N 8.51 -5.82 -4.66 0.00 2.03 -1.26 -4.94 116.55 110.40 1ur6 n ASP 112 Ca 0.08 0.83 -0.29 0.00 0.52 0.00 0.00 54.79 55.94 1ur6 n ASP 112 Cb 0.48 -3.76 0.18 0.00 -0.72 0.00 0.00 41.12 37.30 1ur6 n ASP 112 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1ur6 s PRO 113 N -1.18 0.37 -0.10 -0.67 0.02 -1.22 -4.83 135.00 127.38 1ur6 s PRO 113 Ca 0.02 0.62 -0.22 0.00 0.02 0.00 0.00 61.00 61.45 1ur6 s PRO 113 Cb -0.01 -1.72 -0.03 0.00 0.02 0.00 0.00 34.50 32.76 1ur6 s PRO 113 CO 0.50 -2.80 0.66 1.21 -0.33 0.00 0.00 177.00 176.24 1ur6 s ASN 114 N -3.31 6.89 0.00 2.53 3.84 -1.26 -4.94 114.94 118.70 1ur6 s ASN 114 Ca 0.65 1.08 0.05 0.00 0.21 0.00 0.00 52.86 54.85 1ur6 s ASN 114 Cb -0.19 -2.39 0.31 0.00 -0.55 0.00 0.00 41.25 38.43 1ur6 s ASN 114 CO 0.58 -0.14 0.83 -0.81 -2.79 0.00 0.00 177.10 174.77 1ur6 n PRO 115 N 4.06 0.15 -2.56 0.43 -0.04 -1.26 -4.64 135.00 131.13 1ur6 n PRO 115 Ca -0.02 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 1ur6 n PRO 115 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1ur6 n PRO 115 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ur6 s ASP 116 N -2.11 6.79 0.09 3.54 2.15 -1.26 -4.64 116.67 121.23 1ur6 s ASP 116 Ca 0.07 0.98 -0.30 0.00 0.43 0.00 0.00 52.55 53.73 1ur6 s ASP 116 Cb 0.04 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 40.06 1ur6 s ASP 116 CO 0.07 -1.02 1.11 1.51 -0.17 0.00 0.00 175.17 176.66 1ur6 s ASP 117 N 2.19 7.22 0.00 -0.34 -4.77 -1.26 -4.87 116.67 114.84 1ur6 s ASP 117 Ca 0.49 1.96 0.00 0.00 -3.30 0.00 0.00 52.55 51.70 1ur6 s ASP 117 Cb -0.12 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 1ur6 s ASP 117 CO 0.21 -0.33 0.00 -0.81 0.70 0.00 0.00 175.17 174.95 1ur6 n PRO 118 N 3.35 0.10 0.25 2.11 -0.05 -1.26 -4.89 135.00 134.61 1ur6 n PRO 118 Ca 0.06 0.00 -0.16 0.00 -0.05 0.00 0.00 63.50 63.35 1ur6 n PRO 118 Cb 0.47 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.84 1ur6 n PRO 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 1ur6 h LEU 119 N 0.00 -0.51 -8.63 1.53 5.85 -1.96 -3.38 115.31 108.21 1ur6 h LEU 119 Ca 0.00 -0.01 -0.68 0.00 0.84 0.00 0.00 57.88 58.03 1ur6 h LEU 119 Cb 0.00 0.13 -0.18 0.00 0.37 0.00 0.00 40.66 40.98 1ur6 h LEU 119 CO 0.00 -0.33 -0.24 -0.69 -0.34 0.00 0.00 178.44 176.84 1ur6 s VAL 120 N -5.92 5.12 0.10 1.05 1.01 -1.26 -4.97 120.40 115.54 1ur6 s VAL 120 Ca -0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1ur6 s VAL 120 Cb 0.04 -3.94 -0.22 0.00 0.00 0.00 0.00 36.38 32.25 1ur6 s VAL 120 CO 0.62 -0.28 1.23 -0.65 0.00 0.00 0.00 175.10 176.02 1ur6 h PRO 121 N 8.61 0.48 -0.68 2.72 0.11 -1.91 -3.38 132.00 137.94 1ur6 h PRO 121 Ca -0.28 -0.57 0.10 0.00 0.11 0.00 0.00 66.00 65.36 1ur6 h PRO 121 Cb 1.12 0.18 -0.12 0.00 0.11 0.00 0.00 31.00 32.29 1ur6 h PRO 121 CO 0.75 1.21 -0.44 1.05 -0.21 0.00 0.00 178.00 180.36 1ur6 h GLU 122 N 0.24 -0.16 -0.19 1.05 4.11 -1.97 0.26 114.58 117.92 1ur6 h GLU 122 Ca -0.12 0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.38 1ur6 h GLU 122 Cb 1.72 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 1ur6 h GLU 122 CO 0.19 -0.11 0.14 -0.84 0.07 0.00 0.00 179.01 178.46 1ur6 h ILE 123 N -0.17 0.90 0.09 -1.06 3.07 -1.89 -0.54 117.51 117.92 1ur6 h ILE 123 Ca 0.21 0.00 -0.34 0.00 1.55 0.00 0.00 64.86 66.27 1ur6 h ILE 123 Cb 0.55 0.90 -0.03 0.00 -0.27 0.00 0.00 36.82 37.98 1ur6 h ILE 123 CO -0.76 0.00 -1.92 0.00 -1.05 0.00 0.00 178.15 174.43 1ur6 n ALA 124 N -2.58 1.05 -0.02 0.16 0.00 -0.31 -3.98 120.51 114.84 1ur6 n ALA 124 Ca 0.02 -0.64 -0.05 0.00 0.00 0.00 0.00 53.44 52.77 1ur6 n ALA 124 Cb 0.28 -0.73 0.15 0.00 0.00 0.00 0.00 19.45 19.15 1ur6 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ur6 h ARG 125 N 0.05 0.59 -0.18 0.00 2.47 -0.10 -2.65 114.38 114.57 1ur6 h ARG 125 Ca -0.38 -0.24 -0.06 0.00 -1.26 0.00 0.00 59.98 58.03 1ur6 h ARG 125 Cb 2.03 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 30.31 1ur6 h ARG 125 CO 0.09 0.80 -0.18 -0.84 0.56 0.00 0.00 179.97 180.40 1ur6 h ILE 126 N 0.51 1.22 -0.31 2.04 3.07 -1.28 -1.53 117.51 121.23 1ur6 h ILE 126 Ca 0.07 -0.98 -0.14 0.00 1.55 0.00 0.00 64.86 65.37 1ur6 h ILE 126 Cb 0.73 1.28 -0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1ur6 h ILE 126 CO 0.06 0.30 -0.33 0.22 -1.05 0.00 0.00 178.15 177.35 1ur6 h TYR 127 N 0.28 0.94 -0.34 0.16 3.20 -1.62 -1.48 116.97 118.11 1ur6 h TYR 127 Ca 0.05 -0.29 -0.11 0.00 3.14 0.00 0.00 58.73 61.52 1ur6 h TYR 127 Cb 0.48 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1ur6 h TYR 127 CO 0.01 1.06 -0.25 -0.22 -1.64 0.00 0.00 178.16 177.12 1ur6 h LYS 128 N 0.54 0.68 0.13 1.82 3.64 -1.18 -3.29 116.57 118.89 1ur6 h LYS 128 Ca 0.05 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1ur6 h LYS 128 Cb 0.92 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1ur6 h LYS 128 CO 0.08 0.86 -0.06 1.79 -2.27 0.00 0.00 179.45 179.85 1ur6 h THR 129 N 0.59 0.84 -3.37 1.00 1.35 -1.25 -3.45 112.91 108.61 1ur6 h THR 129 Ca 0.08 -1.27 -0.35 0.00 -0.55 0.00 0.00 66.41 64.32 1ur6 h THR 129 Cb 0.74 1.47 -0.37 0.00 -1.73 0.00 0.00 68.15 68.25 1ur6 h THR 129 CO 0.06 0.24 -0.74 -0.62 -0.25 0.00 0.00 175.52 174.21 1ur6 s ASP 130 N -5.57 0.84 0.04 5.36 -1.08 -0.56 -5.06 116.67 110.63 1ur6 s ASP 130 Ca -0.12 0.05 -0.31 0.00 -0.52 0.00 0.00 52.55 51.65 1ur6 s ASP 130 Cb -0.00 -0.15 -0.17 0.00 -1.46 0.00 0.00 42.92 41.14 1ur6 s ASP 130 CO 0.43 -0.20 1.35 0.03 0.52 0.00 0.00 175.17 177.30 1ur6 h ARG 131 N 8.05 -1.09 0.00 4.34 2.47 -1.78 -3.10 114.38 123.26 1ur6 h ARG 131 Ca -0.24 0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.54 1ur6 h ARG 131 Cb 1.12 0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1ur6 h ARG 131 CO 0.27 -0.73 -0.07 0.93 0.56 0.00 0.00 179.97 180.93 1ur6 h GLU 132 N -1.25 0.00 -0.92 0.04 4.39 -1.93 0.18 114.58 115.09 1ur6 h GLU 132 Ca -0.12 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.66 1ur6 h GLU 132 Cb 0.87 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.45 1ur6 h GLU 132 CO 0.19 0.07 0.58 -0.22 -1.16 0.00 0.00 179.01 178.47 1ur6 h LYS 133 N 0.00 1.00 0.00 2.33 3.64 -1.86 0.12 116.57 121.80 1ur6 h LYS 133 Ca -0.00 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.06 1ur6 h LYS 133 Cb 0.13 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1ur6 h LYS 133 CO 0.01 0.66 -1.63 2.48 -2.27 0.00 0.00 179.45 178.70 1ur6 n TYR 134 N -4.59 1.02 -0.13 1.91 0.18 -0.77 -4.17 117.16 110.60 1ur6 n TYR 134 Ca 0.14 0.36 -0.09 0.00 1.88 0.00 0.00 57.90 60.20 1ur6 n TYR 134 Cb 0.21 -1.17 -0.00 0.00 -0.38 0.00 0.00 39.34 38.00 1ur6 n TYR 134 CO 0.00 0.00 0.00 -0.91 -2.08 0.00 0.00 176.86 173.87 1ur6 h ASN 135 N 0.00 0.50 -0.30 9.48 2.35 -0.04 0.02 115.58 127.59 1ur6 h ASN 135 Ca -0.26 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1ur6 h ASN 135 Cb 1.92 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 40.15 1ur6 h ASN 135 CO 0.07 0.44 0.20 0.08 -1.65 0.00 0.00 177.43 176.58 1ur6 h ARG 136 N 0.51 0.38 0.02 0.81 0.11 -0.94 -0.51 114.38 114.76 1ur6 h ARG 136 Ca 0.14 -0.02 -0.28 0.00 0.10 0.00 0.00 59.98 59.92 1ur6 h ARG 136 Cb 0.06 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.01 1ur6 h ARG 136 CO -0.02 0.25 -1.57 0.97 0.10 0.00 0.00 179.97 179.70 1ur6 h ILE 137 N 0.40 1.03 -0.34 0.08 6.09 -1.66 -3.29 117.51 119.82 1ur6 h ILE 137 Ca 0.11 -2.83 -0.08 0.00 -1.37 0.00 0.00 64.86 60.69 1ur6 h ILE 137 Cb -0.03 2.54 -0.01 0.00 0.47 0.00 0.00 36.82 39.79 1ur6 h ILE 137 CO -0.02 0.64 -0.10 0.00 -3.07 0.00 0.00 178.15 175.59 1ur6 h ALA 138 N 0.89 0.48 0.00 0.18 0.00 -0.42 0.28 119.26 120.67 1ur6 h ALA 138 Ca -0.23 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ur6 h ALA 138 Cb 1.97 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1ur6 h ALA 138 CO 0.10 0.34 0.00 2.89 0.00 0.00 0.00 179.25 182.57 1ur6 n ARG 139 N -4.40 0.09 -0.13 0.00 1.85 -0.25 -2.13 116.66 111.69 1ur6 n ARG 139 Ca -0.02 0.28 -0.25 0.00 -1.00 0.00 0.00 57.85 56.86 1ur6 n ARG 139 Cb 0.35 -1.66 -0.11 0.00 -1.05 0.00 0.00 32.46 30.00 1ur6 n ARG 139 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1ur6 n GLU 140 N -1.83 0.60 -0.29 2.89 4.07 -1.04 -4.11 120.64 120.93 1ur6 n GLU 140 Ca 0.04 0.21 -0.04 0.00 -0.06 0.00 0.00 57.16 57.31 1ur6 n GLU 140 Cb 0.23 -1.48 0.08 0.00 -0.06 0.00 0.00 31.44 30.21 1ur6 n GLU 140 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 1ur6 h TRP 141 N -0.60 0.98 0.00 4.31 2.91 -0.44 -1.87 115.95 121.24 1ur6 h TRP 141 Ca -0.64 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.33 1ur6 h TRP 141 Cb 1.71 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 30.02 1ur6 h TRP 141 CO -0.04 0.60 -0.35 1.79 -1.03 0.00 0.00 178.44 179.40 1ur6 h THR 142 N 1.04 1.20 -0.14 2.65 1.35 -1.65 -2.30 112.91 115.06 1ur6 h THR 142 Ca 0.30 -1.22 -0.13 0.00 -0.55 0.00 0.00 66.41 64.81 1ur6 h THR 142 Cb -0.08 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1ur6 h THR 142 CO -0.08 0.34 -0.43 -0.61 -0.25 0.00 0.00 175.52 174.50 1ur6 h GLN 143 N 0.00 0.53 -0.33 4.72 4.15 -1.51 -2.73 115.11 119.93 1ur6 h GLN 143 Ca -0.00 -0.39 -0.12 0.00 0.77 0.00 0.00 58.65 58.91 1ur6 h GLN 143 Cb 0.64 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 1ur6 h GLN 143 CO 0.05 1.01 -0.27 0.87 -1.93 0.00 0.00 178.83 178.55 1ur6 h LYS 144 N 0.16 0.68 -0.03 1.69 1.79 -1.27 -2.41 116.57 117.17 1ur6 h LYS 144 Ca -0.01 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1ur6 h LYS 144 Cb 1.05 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1ur6 h LYS 144 CO 0.09 0.88 0.00 0.66 -1.08 0.00 0.00 179.45 180.00 1ur6 n TYR 145 N -4.09 0.04 -3.35 -1.35 4.02 -0.88 -4.43 117.16 107.12 1ur6 n TYR 145 Ca -0.00 -0.02 -0.45 0.00 -0.01 0.00 0.00 57.90 57.41 1ur6 n TYR 145 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.76 1ur6 n TYR 145 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ur6 s ALA 146 N -1.96 4.53 -2.21 -0.72 0.00 -0.91 -4.63 121.76 115.86 1ur6 s ALA 146 Ca 0.32 -3.70 0.30 0.00 0.00 0.00 0.00 51.96 48.89 1ur6 s ALA 146 Cb 0.15 -3.52 1.54 0.00 0.00 0.00 0.00 23.12 21.30 1ur6 s ALA 146 CO 0.25 -2.22 2.02 -1.33 0.00 0.00 0.00 175.76 174.49