#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ur6 n ALA 2 N 0.00 1.79 -0.20 -5.12 0.00 -1.26 -4.41 120.51 111.31 1ur6 n ALA 2 Ca 0.00 -1.13 0.10 0.00 0.00 0.00 0.00 53.44 52.41 1ur6 n ALA 2 Cb 0.00 -0.33 0.40 0.00 0.00 0.00 0.00 19.45 19.51 1ur6 n ALA 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ur6 h LEU 3 N 0.00 0.59 -1.65 0.00 5.85 -1.97 0.41 115.31 118.53 1ur6 h LEU 3 Ca -0.42 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 1ur6 h LEU 3 Cb 1.96 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 1ur6 h LEU 3 CO 0.02 0.34 -0.07 0.11 -0.34 0.00 0.00 178.44 178.50 1ur6 h LYS 4 N 0.65 0.13 0.08 1.25 1.57 -2.01 -1.32 116.57 116.92 1ur6 h LYS 4 Ca 0.36 -0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 58.75 1ur6 h LYS 4 Cb 0.52 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1ur6 h LYS 4 CO -0.13 0.21 -2.18 -2.13 -0.57 0.00 0.00 179.45 174.65 1ur6 n ARG 5 N -4.38 0.72 -0.33 3.15 0.63 -0.13 -4.25 116.66 112.07 1ur6 n ARG 5 Ca -0.02 0.22 0.03 0.00 -0.92 0.00 0.00 57.85 57.16 1ur6 n ARG 5 Cb 0.19 -1.64 0.21 0.00 0.45 0.00 0.00 32.46 31.67 1ur6 n ARG 5 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1ur6 h ILE 6 N 0.05 1.10 0.00 5.15 1.08 -0.17 0.45 117.51 125.16 1ur6 h ILE 6 Ca -0.48 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1ur6 h ILE 6 Cb 1.99 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1ur6 h ILE 6 CO 0.02 0.20 0.00 0.45 -0.69 0.00 0.00 178.15 178.13 1ur6 h HIS 7 N 1.11 0.00 0.00 1.37 3.86 -1.42 -1.49 115.15 118.57 1ur6 h HIS 7 Ca 0.40 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.32 1ur6 h HIS 7 Cb 0.14 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.56 1ur6 h HIS 7 CO -0.00 0.00 -2.09 1.63 0.86 0.00 0.00 177.93 178.33 1ur6 n LYS 8 N -2.75 0.75 0.07 2.45 5.02 -0.13 -3.88 118.16 119.68 1ur6 n LYS 8 Ca -0.01 0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1ur6 n LYS 8 Cb 0.16 -1.39 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1ur6 n LYS 8 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1ur6 h GLU 9 N 0.00 -0.11 -0.05 1.97 4.57 0.00 0.24 114.58 121.20 1ur6 h GLU 9 Ca -0.43 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.68 1ur6 h GLU 9 Cb 1.74 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.34 1ur6 h GLU 9 CO -0.04 0.01 -0.34 1.25 -1.18 0.00 0.00 179.01 178.70 1ur6 h LEU 10 N -0.21 0.11 -0.27 1.64 5.85 -1.51 -0.80 115.31 120.12 1ur6 h LEU 10 Ca -0.01 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1ur6 h LEU 10 Cb 0.17 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1ur6 h LEU 10 CO 0.02 0.45 -0.09 -1.13 -0.34 0.00 0.00 178.44 177.35 1ur6 h ASN 11 N 0.09 0.54 -0.19 1.25 -1.24 -1.57 -1.70 115.58 112.76 1ur6 h ASN 11 Ca 0.01 -0.39 -0.10 0.00 0.71 0.00 0.00 56.30 56.54 1ur6 h ASN 11 Cb 0.66 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.56 1ur6 h ASN 11 CO 0.05 0.81 -0.25 0.44 -1.29 0.00 0.00 177.43 177.18 1ur6 h ASP 12 N 0.28 0.55 0.70 1.15 5.19 -0.28 -2.93 116.42 121.07 1ur6 h ASP 12 Ca 0.06 -0.51 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1ur6 h ASP 12 Cb 0.58 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1ur6 h ASP 12 CO 0.03 0.95 0.00 -0.07 -3.12 0.00 0.00 179.24 177.03 1ur6 h LEU 13 N 0.17 0.00 -0.83 1.55 3.38 -1.18 -2.21 115.31 116.18 1ur6 h LEU 13 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1ur6 h LEU 13 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1ur6 h LEU 13 CO 0.06 0.00 0.09 0.00 0.09 0.00 0.00 178.44 178.68 1ur6 h ALA 14 N 2.05 1.04 0.10 1.53 0.00 -1.11 -3.18 119.26 119.69 1ur6 h ALA 14 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ur6 h ALA 14 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ur6 h ALA 14 CO 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 1ur6 h ARG 15 N 0.91 -0.12 -4.00 0.00 3.08 -1.48 -3.46 114.38 109.31 1ur6 h ARG 15 Ca 0.18 0.01 -0.48 0.00 0.07 0.00 0.00 59.98 59.76 1ur6 h ARG 15 Cb 0.41 0.03 -0.37 0.00 0.08 0.00 0.00 29.97 30.11 1ur6 h ARG 15 CO 0.01 -0.08 -0.79 0.16 -1.07 0.00 0.00 179.97 178.21 1ur6 s ASP 16 N -5.41 1.87 0.82 7.04 -4.77 -0.96 -5.15 116.67 110.12 1ur6 s ASP 16 Ca -0.02 -0.20 -0.11 0.00 -3.30 0.00 0.00 52.55 48.91 1ur6 s ASP 16 Cb 0.00 -0.66 0.10 0.00 -1.09 0.00 0.00 42.92 41.28 1ur6 s ASP 16 CO 0.06 -0.15 1.17 -2.16 0.70 0.00 0.00 175.17 174.80 1ur6 s PRO 17 N 1.77 1.71 1.28 2.11 0.04 -1.20 -3.98 135.00 136.73 1ur6 s PRO 17 Ca 0.04 -0.12 -0.19 0.00 0.04 0.00 0.00 61.00 60.78 1ur6 s PRO 17 Cb -0.13 -1.98 0.32 0.00 0.04 0.00 0.00 34.50 32.75 1ur6 s PRO 17 CO -0.06 -1.70 1.01 -1.25 0.04 0.00 0.00 177.00 175.03 1ur6 s PRO 18 N -5.57 -1.83 -0.07 0.56 0.04 -1.17 -4.96 135.00 122.01 1ur6 s PRO 18 Ca 0.64 0.28 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 1ur6 s PRO 18 Cb -0.09 -1.49 -0.02 0.00 0.04 0.00 0.00 34.50 32.93 1ur6 s PRO 18 CO 0.49 -4.19 1.02 0.00 0.04 0.00 0.00 177.00 174.36 1ur6 s ALA 19 N -2.54 3.35 -1.05 8.56 0.00 -1.26 -3.26 121.76 125.56 1ur6 s ALA 19 Ca 0.69 0.45 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1ur6 s ALA 19 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1ur6 s ALA 19 CO 0.59 -0.52 0.00 0.94 0.00 0.00 0.00 175.76 176.77 1ur6 n GLN 20 N 4.71 -0.78 -3.65 0.00 7.27 -1.26 -4.80 117.38 118.87 1ur6 n GLN 20 Ca 0.08 0.75 -0.05 0.00 0.07 0.00 0.00 57.00 57.85 1ur6 n GLN 20 Cb 0.49 -4.75 -0.07 0.00 2.41 0.00 0.00 30.24 28.32 1ur6 n GLN 20 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ur6 s SER 22 N 2.38 6.25 0.10 0.00 0.01 0.14 -3.02 113.70 119.57 1ur6 s SER 22 Ca -0.06 0.02 0.10 0.00 1.31 0.00 0.00 55.95 57.31 1ur6 s SER 22 Cb -0.10 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 1ur6 s SER 22 CO -0.17 -0.33 -0.25 0.00 0.41 0.00 0.00 173.24 172.89 1ur6 s ALA 23 N 2.16 2.17 0.00 1.44 0.00 -1.26 0.09 121.76 126.37 1ur6 s ALA 23 Ca 0.15 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1ur6 s ALA 23 Cb -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1ur6 s ALA 23 CO 0.12 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1ur6 n GLY 24 N 1.16 -1.04 3.76 0.00 0.00 -1.26 -4.52 105.19 103.29 1ur6 n GLY 24 Ca -0.18 0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1ur6 n GLY 24 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ur6 s PRO 25 N 0.00 2.53 0.38 1.61 0.02 -1.26 -4.90 135.00 133.38 1ur6 s PRO 25 Ca 0.00 1.42 0.08 0.00 0.02 0.00 0.00 61.00 62.51 1ur6 s PRO 25 Cb 0.00 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 1ur6 s PRO 25 CO 0.00 -1.47 0.36 0.14 -0.33 0.00 0.00 177.00 175.70 1ur6 s VAL 26 N -2.39 3.14 -0.00 3.83 -7.23 -1.26 -0.86 120.40 115.62 1ur6 s VAL 26 Ca 0.67 -1.32 0.07 0.00 -1.81 0.00 0.00 61.98 59.59 1ur6 s VAL 26 Cb -0.21 -3.10 -0.24 0.00 0.56 0.00 0.00 36.38 33.39 1ur6 s VAL 26 CO 0.45 -0.09 0.82 1.23 -0.31 0.00 0.00 175.10 177.21 1ur6 h GLY 27 N 1.09 0.08 0.00 2.32 0.00 0.13 -3.39 103.07 103.30 1ur6 h GLY 27 Ca -0.43 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1ur6 h GLY 27 CO 0.57 0.19 0.00 2.09 0.00 0.00 0.00 176.54 179.39 1ur6 n ASP 28 N -3.23 0.00 -4.23 0.19 5.75 -1.21 -5.04 116.55 108.77 1ur6 n ASP 28 Ca -0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.51 1ur6 n ASP 28 Cb 1.02 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 41.01 1ur6 n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ur6 s ASP 29 N -0.02 1.47 0.53 -1.12 2.15 -1.25 -5.03 116.67 113.41 1ur6 s ASP 29 Ca 0.00 -1.07 0.26 0.00 0.43 0.00 0.00 52.55 52.16 1ur6 s ASP 29 Cb 0.00 0.05 1.49 0.00 -0.30 0.00 0.00 42.92 44.16 1ur6 s ASP 29 CO 0.00 -0.45 2.12 -0.03 -0.17 0.00 0.00 175.17 176.64 1ur6 h MET 30 N 2.77 0.00 -0.69 4.34 1.85 -2.00 -0.93 114.93 120.26 1ur6 h MET 30 Ca -0.36 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.57 1ur6 h MET 30 Cb 1.19 0.00 -0.09 0.00 0.43 0.00 0.00 31.60 33.13 1ur6 h MET 30 CO 0.64 0.09 0.19 1.19 -0.40 0.00 0.00 176.91 178.62 1ur6 n PHE 31 N -3.82 2.36 -3.28 1.39 3.01 -1.26 -4.66 117.46 111.20 1ur6 n PHE 31 Ca -0.02 -1.07 -0.15 0.00 1.01 0.00 0.00 57.45 57.22 1ur6 n PHE 31 Cb 0.19 -0.64 -0.06 0.00 -0.01 0.00 0.00 39.48 38.96 1ur6 n PHE 31 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1ur6 s HIS 32 N -2.94 -0.44 0.72 1.38 2.46 -0.35 -0.02 115.29 116.09 1ur6 s HIS 32 Ca 0.55 -0.86 -0.04 0.00 0.47 0.00 0.00 55.06 55.18 1ur6 s HIS 32 Cb 0.44 -0.30 0.10 0.00 -0.13 0.00 0.00 32.58 32.69 1ur6 s HIS 32 CO 0.14 -1.01 1.00 -1.58 -2.47 0.00 0.00 174.74 170.82 1ur6 s TRP 33 N 1.24 2.18 -0.18 3.88 0.51 0.24 0.69 118.94 127.50 1ur6 s TRP 33 Ca 0.20 0.05 -0.04 0.00 -2.12 0.00 0.00 56.10 54.19 1ur6 s TRP 33 Cb -0.10 -3.16 0.06 0.00 -0.81 0.00 0.00 33.47 29.46 1ur6 s TRP 33 CO -0.05 -1.60 0.07 -1.14 -0.51 0.00 0.00 176.95 173.71 1ur6 s GLN 34 N -5.20 0.33 0.30 4.98 0.74 -0.04 -0.40 119.66 120.36 1ur6 s GLN 34 Ca 0.64 -0.25 0.07 0.00 0.05 0.00 0.00 55.36 55.87 1ur6 s GLN 34 Cb -0.08 -1.94 -0.03 0.00 1.10 0.00 0.00 33.01 32.06 1ur6 s GLN 34 CO 0.44 -0.67 0.27 0.00 -0.55 0.00 0.00 175.29 174.78 1ur6 s ALA 35 N 2.01 3.77 -0.19 1.58 0.00 0.60 -4.22 121.76 125.31 1ur6 s ALA 35 Ca 0.01 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1ur6 s ALA 35 Cb -0.16 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.70 1ur6 s ALA 35 CO -0.09 0.11 -0.16 0.99 0.00 0.00 0.00 175.76 176.60 1ur6 s THR 36 N -2.22 2.29 0.44 0.00 2.01 0.11 -0.18 115.64 118.09 1ur6 s THR 36 Ca 0.38 -0.93 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 1ur6 s THR 36 Cb -0.07 -2.01 -0.09 0.00 0.01 0.00 0.00 72.50 70.34 1ur6 s THR 36 CO 0.26 0.46 1.02 -0.51 -0.69 0.00 0.00 174.62 175.16 1ur6 s ILE 37 N 1.30 3.93 0.12 1.82 1.10 -0.96 0.26 121.20 128.77 1ur6 s ILE 37 Ca 0.04 1.29 -0.00 0.00 -0.51 0.00 0.00 60.65 61.46 1ur6 s ILE 37 Cb -0.14 -3.57 -0.04 0.00 0.15 0.00 0.00 42.46 38.86 1ur6 s ILE 37 CO -0.11 -0.18 0.28 -0.04 -2.11 0.00 0.00 174.94 172.79 1ur6 s MET 38 N -2.98 3.48 0.09 3.50 -1.94 -0.06 -3.50 119.30 117.90 1ur6 s MET 38 Ca 0.63 -0.40 -0.30 0.00 -1.71 0.00 0.00 55.69 53.91 1ur6 s MET 38 Cb -0.16 -2.96 -0.05 0.00 2.01 0.00 0.00 34.83 33.66 1ur6 s MET 38 CO 0.20 0.53 0.95 0.20 -0.01 0.00 0.00 175.02 176.89 1ur6 s GLY 39 N -2.76 2.98 0.47 -0.03 0.00 -1.26 -4.55 107.32 102.17 1ur6 s GLY 39 Ca 0.36 0.55 -0.08 0.00 0.00 0.00 0.00 44.72 45.55 1ur6 s GLY 39 CO 0.28 1.45 0.47 -1.55 0.00 0.00 0.00 173.10 173.75 1ur6 n PRO 40 N 2.89 -1.49 -0.01 2.90 -0.04 -1.25 -4.85 135.00 133.16 1ur6 n PRO 40 Ca 0.02 -0.74 -0.01 0.00 -0.04 0.00 0.00 63.50 62.73 1ur6 n PRO 40 Cb 0.49 -0.63 -0.02 0.00 -0.04 0.00 0.00 33.50 33.30 1ur6 n PRO 40 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ur6 n ASN 41 N -3.64 4.42 -0.04 3.54 6.94 -1.26 -4.72 115.26 120.50 1ur6 n ASN 41 Ca 0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.53 1ur6 n ASN 41 Cb 0.24 0.65 -0.15 0.00 -2.36 0.00 0.00 39.78 38.16 1ur6 n ASN 41 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1ur6 n ASP 42 N -2.00 0.64 -4.85 0.53 5.75 -1.26 -4.92 116.55 110.44 1ur6 n ASP 42 Ca -0.03 0.29 -0.34 0.00 -0.01 0.00 0.00 54.79 54.69 1ur6 n ASP 42 Cb 0.49 0.23 -0.06 0.00 -1.03 0.00 0.00 41.12 40.76 1ur6 n ASP 42 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1ur6 s SER 43 N -5.93 6.75 -0.33 -1.12 0.01 -1.26 -4.97 113.70 106.85 1ur6 s SER 43 Ca -0.07 0.99 -0.06 0.00 1.31 0.00 0.00 55.95 58.13 1ur6 s SER 43 Cb 0.07 -2.26 -0.19 0.00 0.21 0.00 0.00 66.02 63.86 1ur6 s SER 43 CO 0.82 0.07 2.96 -0.81 0.41 0.00 0.00 173.24 176.70 1ur6 n PRO 44 N 0.60 1.98 -4.28 12.44 -0.04 -1.26 -4.68 135.00 139.77 1ur6 n PRO 44 Ca -0.04 -1.08 -0.15 0.00 -0.04 0.00 0.00 63.50 62.18 1ur6 n PRO 44 Cb 0.52 -2.09 -0.10 0.00 -0.04 0.00 0.00 33.50 31.79 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 1.68 1.39 0.21 0.54 2.02 -1.26 -4.69 117.35 117.23 1ur6 s TYR 45 Ca 0.56 -0.79 -0.07 0.00 -0.37 0.00 0.00 57.07 56.39 1ur6 s TYR 45 Cb 0.23 -0.74 -0.02 0.00 -0.40 0.00 0.00 41.96 41.04 1ur6 s TYR 45 CO -0.01 0.07 0.29 1.14 -1.57 0.00 0.00 175.55 175.46 1ur6 s GLN 46 N -3.78 1.30 0.00 -0.62 -2.07 -1.26 -3.76 119.66 109.48 1ur6 s GLN 46 Ca 0.21 -1.38 0.00 0.00 -1.82 0.00 0.00 55.36 52.36 1ur6 s GLN 46 Cb 0.03 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.32 1ur6 s GLN 46 CO 0.04 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 173.93 1ur6 n GLY 47 N -0.29 2.97 5.39 2.60 0.00 -1.26 -4.52 105.19 110.08 1ur6 n GLY 47 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 5.00 2.12 0.80 -0.02 0.00 -1.23 -3.78 105.19 108.09 1ur6 n GLY 48 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1ur6 n GLY 48 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ur6 n VAL 49 N 0.00 0.23 -3.14 1.61 3.14 -1.26 -4.79 118.33 114.12 1ur6 n VAL 49 Ca 0.00 -0.48 -0.44 0.00 -2.96 0.00 0.00 64.34 60.46 1ur6 n VAL 49 Cb 0.00 0.79 -0.06 0.00 -1.06 0.00 0.00 33.84 33.51 1ur6 n VAL 49 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1ur6 s PHE 50 N -1.77 3.03 0.14 1.45 0.40 -1.25 -4.90 117.98 115.08 1ur6 s PHE 50 Ca 0.34 -0.64 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1ur6 s PHE 50 Cb 0.20 -3.68 -0.04 0.00 0.51 0.00 0.00 43.02 40.02 1ur6 s PHE 50 CO 0.30 -1.11 0.04 -0.06 0.70 0.00 0.00 175.22 175.09 1ur6 s PHE 51 N 2.68 2.99 -0.04 0.36 0.08 -1.26 -2.26 117.98 120.53 1ur6 s PHE 51 Ca 0.14 -0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.13 1ur6 s PHE 51 Cb -0.20 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 1ur6 s PHE 51 CO 0.10 0.51 0.01 -0.48 -0.10 0.00 0.00 175.22 175.27 1ur6 s LEU 52 N -2.79 0.90 -0.08 -0.37 2.34 0.74 -1.45 118.68 117.98 1ur6 s LEU 52 Ca 0.28 -0.01 -0.18 0.00 0.06 0.00 0.00 54.13 54.28 1ur6 s LEU 52 Cb -0.10 -0.22 -0.05 0.00 -0.56 0.00 0.00 46.19 45.26 1ur6 s LEU 52 CO 0.20 -0.14 0.48 0.42 -1.06 0.00 0.00 176.35 176.25 1ur6 s THR 53 N 1.35 5.11 -0.18 5.48 -4.23 0.29 -0.29 115.64 123.16 1ur6 s THR 53 Ca -0.05 0.98 -0.03 0.00 -1.18 0.00 0.00 61.69 61.41 1ur6 s THR 53 Cb -0.13 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 1ur6 s THR 53 CO -0.03 0.39 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.75 1ur6 s ILE 54 N 0.16 3.40 -0.13 2.99 1.01 0.47 -0.12 121.20 128.97 1ur6 s ILE 54 Ca 0.26 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1ur6 s ILE 54 Cb -0.16 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1ur6 s ILE 54 CO 0.12 0.47 -0.11 -2.28 0.00 0.00 0.00 174.94 173.14 1ur6 s HIS 55 N 0.93 2.86 -0.18 3.97 2.46 0.13 -0.59 115.29 124.87 1ur6 s HIS 55 Ca -0.01 -0.55 -0.10 0.00 0.47 0.00 0.00 55.06 54.87 1ur6 s HIS 55 Cb -0.15 -1.86 -0.05 0.00 -0.13 0.00 0.00 32.58 30.39 1ur6 s HIS 55 CO 0.01 -0.16 0.15 -0.06 -2.47 0.00 0.00 174.74 172.20 1ur6 s PHE 56 N 0.32 3.46 0.00 3.88 0.40 0.97 -0.18 117.98 126.83 1ur6 s PHE 56 Ca -0.09 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.64 1ur6 s PHE 56 Cb -0.15 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.25 1ur6 s PHE 56 CO 0.05 0.39 0.00 -2.30 0.70 0.00 0.00 175.22 174.06 1ur6 n PRO 57 N 3.16 3.43 0.25 0.24 -0.02 -1.26 -4.86 135.00 135.94 1ur6 n PRO 57 Ca -0.17 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.43 1ur6 n PRO 57 Cb 0.53 0.00 0.67 0.00 -0.02 0.00 0.00 33.50 34.68 1ur6 n PRO 57 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1ur6 h THR 58 N 0.00 0.60 -4.13 3.45 2.02 -1.95 -3.45 112.91 109.45 1ur6 h THR 58 Ca 0.00 -0.64 -0.28 0.00 0.77 0.00 0.00 66.41 66.26 1ur6 h THR 58 Cb 0.00 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 67.74 1ur6 h THR 58 CO 0.00 0.14 -0.19 -0.62 0.37 0.00 0.00 175.52 175.22 1ur6 s ASP 59 N -6.21 0.94 0.06 4.18 -1.08 -1.26 -4.61 116.67 108.69 1ur6 s ASP 59 Ca -0.02 -1.49 0.00 0.00 -0.52 0.00 0.00 52.55 50.51 1ur6 s ASP 59 Cb 0.13 0.67 0.00 0.00 -1.46 0.00 0.00 42.92 42.26 1ur6 s ASP 59 CO 0.60 -1.30 0.00 0.00 0.52 0.00 0.00 175.17 174.98 1ur6 n TYR 60 N -0.57 -0.56 0.55 -5.34 9.36 -1.25 -4.41 117.16 114.95 1ur6 n TYR 60 Ca 0.01 0.10 0.05 0.00 3.32 0.00 0.00 57.90 61.38 1ur6 n TYR 60 Cb 0.61 0.51 0.29 0.00 -0.63 0.00 0.00 39.34 40.12 1ur6 n TYR 60 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1ur6 n PRO 61 N -2.72 0.19 0.04 2.98 -0.02 -1.26 -3.80 135.00 130.41 1ur6 n PRO 61 Ca 0.00 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1ur6 n PRO 61 Cb 0.01 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1ur6 n PRO 61 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ur6 n PHE 62 N -1.24 -0.56 -3.08 6.00 3.72 -1.26 -4.39 117.46 116.66 1ur6 n PHE 62 Ca 0.06 0.10 -0.39 0.00 -0.05 0.00 0.00 57.45 57.16 1ur6 n PHE 62 Cb 0.08 0.28 -0.06 0.00 -0.94 0.00 0.00 39.48 38.84 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 4.44 0.08 -1.08 1.02 -1.25 -4.63 119.74 116.33 1ur6 s LYS 63 Ca 0.00 1.01 -0.31 0.00 0.02 0.00 0.00 55.97 56.69 1ur6 s LYS 63 Cb 0.00 -3.27 -0.07 0.00 -0.52 0.00 0.00 37.83 33.97 1ur6 s LYS 63 CO 0.00 0.55 1.31 -1.25 -0.92 0.00 0.00 175.35 175.03 1ur6 s PRO 64 N -0.95 4.37 1.01 -1.68 0.04 -1.26 -3.77 135.00 132.74 1ur6 s PRO 64 Ca 0.34 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 1ur6 s PRO 64 Cb -0.22 -3.32 0.25 0.00 0.04 0.00 0.00 34.50 31.26 1ur6 s PRO 64 CO 0.23 -0.37 0.83 -0.35 0.04 0.00 0.00 177.00 177.38 1ur6 n PRO 65 N 4.06 -3.00 -3.94 0.56 -0.04 -1.26 -4.71 135.00 126.68 1ur6 n PRO 65 Ca 0.10 -1.34 -0.24 0.00 -0.04 0.00 0.00 63.50 61.98 1ur6 n PRO 65 Cb 0.44 -1.33 -0.17 0.00 -0.04 0.00 0.00 33.50 32.40 1ur6 n PRO 65 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ur6 s LYS 66 N -4.90 1.08 -0.12 0.54 2.47 0.75 -4.96 119.74 114.58 1ur6 s LYS 66 Ca 0.56 -0.10 -0.06 0.00 -1.56 0.00 0.00 55.97 54.81 1ur6 s LYS 66 Cb -0.06 -1.22 -0.04 0.00 -1.46 0.00 0.00 37.83 35.05 1ur6 s LYS 66 CO 0.43 -0.23 0.08 0.08 0.16 0.00 0.00 175.35 175.87 1ur6 s VAL 67 N 1.62 4.97 -0.19 4.02 1.01 -1.26 0.18 120.40 130.74 1ur6 s VAL 67 Ca 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 1ur6 s VAL 67 Cb -0.13 -3.16 0.06 0.00 0.00 0.00 0.00 36.38 33.15 1ur6 s VAL 67 CO -0.05 0.58 0.06 0.00 0.00 0.00 0.00 175.10 175.68 1ur6 s ALA 68 N -0.65 0.85 0.11 5.51 0.00 0.83 -3.91 121.76 124.50 1ur6 s ALA 68 Ca 0.12 -0.63 -0.31 0.00 0.00 0.00 0.00 51.96 51.14 1ur6 s ALA 68 Cb -0.12 -1.16 -0.09 0.00 0.00 0.00 0.00 23.12 21.75 1ur6 s ALA 68 CO 0.02 -1.20 1.68 0.12 0.00 0.00 0.00 175.76 176.38 1ur6 s PHE 69 N 1.94 2.50 0.10 0.00 2.19 -0.15 -0.55 117.98 124.01 1ur6 s PHE 69 Ca 0.00 0.30 0.01 0.00 0.33 0.00 0.00 56.93 57.57 1ur6 s PHE 69 Cb -0.17 -4.02 -0.22 0.00 -1.31 0.00 0.00 43.02 37.31 1ur6 s PHE 69 CO -0.10 -4.04 1.23 1.15 1.83 0.00 0.00 175.22 175.29 1ur6 h THR 70 N 4.58 1.59 -3.26 0.12 2.02 -1.57 -3.32 112.91 113.06 1ur6 h THR 70 Ca -0.43 -3.15 -0.58 0.00 0.77 0.00 0.00 66.41 63.01 1ur6 h THR 70 Cb 1.21 2.85 -0.08 0.00 -1.74 0.00 0.00 68.15 70.39 1ur6 h THR 70 CO 0.93 0.91 -0.17 -0.89 0.37 0.00 0.00 175.52 176.67 1ur6 s THR 71 N -2.75 5.15 -0.15 3.16 2.01 -0.91 -4.97 115.64 117.18 1ur6 s THR 71 Ca -0.02 0.89 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 1ur6 s THR 71 Cb 0.09 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.82 1ur6 s THR 71 CO 0.85 0.39 1.00 -0.13 -0.69 0.00 0.00 174.62 176.05 1ur6 s ARG 72 N 0.20 4.36 0.02 4.92 0.52 -1.26 -4.93 118.95 122.78 1ur6 s ARG 72 Ca 0.24 1.35 0.01 0.00 -0.52 0.00 0.00 55.73 56.82 1ur6 s ARG 72 Cb -0.15 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 1ur6 s ARG 72 CO 0.10 -0.42 -0.05 -1.50 0.02 0.00 0.00 175.30 173.45 1ur6 s ILE 73 N 2.41 0.36 -0.63 1.52 2.07 -1.26 -5.04 121.20 120.63 1ur6 s ILE 73 Ca 0.46 -0.79 -0.27 0.00 -1.41 0.00 0.00 60.65 58.64 1ur6 s ILE 73 Cb -0.17 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.01 1ur6 s ILE 73 CO 0.14 -0.29 1.42 -0.47 -1.91 0.00 0.00 174.94 173.83 1ur6 s TYR 74 N -1.05 2.21 -0.20 3.50 5.04 -1.26 -4.48 117.35 121.11 1ur6 s TYR 74 Ca -0.08 0.34 -0.09 0.00 -2.44 0.00 0.00 57.07 54.80 1ur6 s TYR 74 Cb -0.08 -4.43 0.08 0.00 0.35 0.00 0.00 41.96 37.88 1ur6 s TYR 74 CO -0.00 -2.03 0.46 -1.58 -1.34 0.00 0.00 175.55 171.06 1ur6 s HIS 75 N 6.31 -0.79 0.25 4.97 2.46 -1.25 -4.84 115.29 122.40 1ur6 s HIS 75 Ca 0.48 1.56 -0.07 0.00 0.47 0.00 0.00 55.06 57.50 1ur6 s HIS 75 Cb -0.10 0.37 0.43 0.00 -0.13 0.00 0.00 32.58 33.15 1ur6 s HIS 75 CO 0.21 -0.44 1.63 -1.35 -2.47 0.00 0.00 174.74 172.32 1ur6 h PRO 76 N 7.56 0.09 -0.18 2.88 0.11 -1.90 0.14 132.00 140.70 1ur6 h PRO 76 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ur6 h PRO 76 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ur6 h PRO 76 CO 0.20 0.06 0.00 0.09 -0.21 0.00 0.00 178.00 178.14 1ur6 n ASN 77 N -5.36 2.33 -3.93 -2.05 4.13 -1.26 -4.48 115.26 104.63 1ur6 n ASN 77 Ca 0.13 -1.80 -0.31 0.00 1.68 0.00 0.00 54.58 54.29 1ur6 n ASN 77 Cb 0.47 -0.11 -0.15 0.00 -1.54 0.00 0.00 39.78 38.45 1ur6 n ASN 77 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ur6 s ILE 78 N -1.78 1.99 0.27 2.41 1.01 0.04 -3.18 121.20 121.95 1ur6 s ILE 78 Ca 0.34 -2.31 -0.29 0.00 0.00 0.00 0.00 60.65 58.38 1ur6 s ILE 78 Cb 0.20 -2.46 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 1ur6 s ILE 78 CO 0.30 -0.66 1.17 0.20 0.00 0.00 0.00 174.94 175.94 1ur6 s ASN 79 N 0.84 7.11 0.50 3.58 0.02 -0.43 -3.88 114.94 122.68 1ur6 s ASN 79 Ca 0.12 2.35 0.25 0.00 -1.02 0.00 0.00 52.86 54.56 1ur6 s ASN 79 Cb -0.20 -2.63 1.33 0.00 0.02 0.00 0.00 41.25 39.78 1ur6 s ASN 79 CO -0.10 -0.29 1.94 0.28 0.02 0.00 0.00 177.10 178.95 1ur6 h SER 80 N 4.11 0.10 0.53 -1.22 0.02 -1.88 0.23 113.55 115.44 1ur6 h SER 80 Ca -0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1ur6 h SER 80 Cb 1.22 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1ur6 h SER 80 CO 0.69 0.05 0.00 -0.55 -1.14 0.00 0.00 176.83 175.88 1ur6 h ASN 81 N 0.11 0.00 0.00 3.07 -1.07 -1.91 -3.40 115.58 112.38 1ur6 h ASN 81 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.71 1ur6 h ASN 81 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 1ur6 h ASN 81 CO -0.04 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.07 1ur6 n GLY 82 N -0.39 1.82 3.60 9.14 0.00 0.81 -4.83 105.19 115.34 1ur6 n GLY 82 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.89 6.05 -0.17 1.61 0.01 -1.23 -0.98 113.70 117.11 1ur6 s SER 83 Ca 0.00 1.22 0.01 0.00 1.31 0.00 0.00 55.95 58.48 1ur6 s SER 83 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1ur6 s SER 83 CO 0.00 -1.60 -0.18 -0.51 0.41 0.00 0.00 173.24 171.36 1ur6 s ILE 84 N 6.37 2.32 -0.44 1.44 1.10 -1.25 -1.31 121.20 129.43 1ur6 s ILE 84 Ca 0.75 -0.87 -0.25 0.00 -0.51 0.00 0.00 60.65 59.77 1ur6 s ILE 84 Cb -0.21 -1.97 0.02 0.00 0.15 0.00 0.00 42.46 40.46 1ur6 s ILE 84 CO 0.33 0.53 0.90 0.00 -2.11 0.00 0.00 174.94 174.58 1ur6 s LEU 86 N 3.60 4.36 0.22 0.00 2.01 -1.26 -4.97 118.68 122.64 1ur6 s LEU 86 Ca 0.36 -0.21 -0.08 0.00 0.01 0.00 0.00 54.13 54.22 1ur6 s LEU 86 Cb -0.11 -2.25 0.31 0.00 0.01 0.00 0.00 46.19 44.15 1ur6 s LEU 86 CO 0.24 -0.24 1.79 -0.78 1.01 0.00 0.00 176.35 178.37 1ur6 h ASP 87 N 8.43 0.50 0.38 2.29 1.82 -1.98 -1.07 116.42 126.79 1ur6 h ASP 87 Ca -0.31 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1ur6 h ASP 87 Cb 1.16 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1ur6 h ASP 87 CO 0.65 0.30 0.00 0.16 -1.61 0.00 0.00 179.24 178.73 1ur6 h ILE 88 N 0.64 0.00 -0.64 2.25 -2.65 -1.99 -1.33 117.51 113.79 1ur6 h ILE 88 Ca 0.34 -0.18 0.00 0.00 1.03 0.00 0.00 64.86 66.05 1ur6 h ILE 88 Cb 0.31 1.09 0.00 0.00 -2.05 0.00 0.00 36.82 36.17 1ur6 h ILE 88 CO -0.24 0.00 0.00 0.18 0.03 0.00 0.00 178.15 178.12 1ur6 n LEU 89 N -2.91 3.47 -4.72 0.16 4.77 -0.41 -4.03 117.00 113.33 1ur6 n LEU 89 Ca -0.01 -1.73 -0.40 0.00 -0.03 0.00 0.00 56.01 53.84 1ur6 n LEU 89 Cb 0.15 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1ur6 n LEU 89 CO 0.21 0.86 0.46 -0.13 -1.33 0.00 0.00 177.39 177.47 1ur6 s ARG 90 N -1.15 4.47 -1.37 3.23 0.52 -0.50 -3.97 118.95 120.19 1ur6 s ARG 90 Ca 0.43 1.02 -0.09 0.00 -0.52 0.00 0.00 55.73 56.58 1ur6 s ARG 90 Cb 0.23 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 32.28 1ur6 s ARG 90 CO 0.30 0.10 1.14 0.43 0.02 0.00 0.00 175.30 177.29 1ur6 n SER 91 N 3.55 -6.37 -1.76 0.23 7.64 -1.26 -4.46 113.62 111.18 1ur6 n SER 91 Ca -0.00 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1ur6 n SER 91 Cb 0.51 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.69 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 -4.93 -3.73 -1.32 1.43 6.02 -1.25 -5.01 117.38 108.59 1ur6 n GLN 92 Ca 0.00 2.83 -0.29 0.00 -0.01 0.00 0.00 57.00 59.53 1ur6 n GLN 92 Cb 0.56 -3.18 0.17 0.00 1.02 0.00 0.00 30.24 28.81 1ur6 n GLN 92 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 1ur6 s TRP 93 N -0.38 2.05 -0.03 1.08 1.48 -1.26 -5.00 118.94 116.88 1ur6 s TRP 93 Ca 0.00 0.85 -0.29 0.00 -1.06 0.00 0.00 56.10 55.60 1ur6 s TRP 93 Cb 0.00 -3.37 -0.03 0.00 -1.16 0.00 0.00 33.47 28.92 1ur6 s TRP 93 CO 0.00 -2.83 0.94 -1.12 -4.06 0.00 0.00 176.95 169.88 1ur6 s SER 94 N -3.77 7.29 0.59 -2.66 0.01 -1.26 -4.88 113.70 109.02 1ur6 s SER 94 Ca 0.66 1.57 0.29 0.00 1.31 0.00 0.00 55.95 59.77 1ur6 s SER 94 Cb -0.16 -2.54 1.43 0.00 0.21 0.00 0.00 66.02 64.96 1ur6 s SER 94 CO 0.56 -0.27 1.83 -0.65 0.41 0.00 0.00 173.24 175.12 1ur6 h PRO 95 N 6.85 0.00 -1.31 12.44 0.11 -1.85 -2.45 132.00 145.79 1ur6 h PRO 95 Ca -0.39 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 1ur6 h PRO 95 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1ur6 h PRO 95 CO 0.77 0.00 0.11 0.00 -0.21 0.00 0.00 178.00 178.67 1ur6 n ALA 96 N -2.33 3.47 -2.49 -0.75 0.00 -1.26 -4.81 120.51 112.33 1ur6 n ALA 96 Ca 0.10 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1ur6 n ALA 96 Cb 0.76 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 1ur6 n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ur6 s LEU 97 N -0.51 2.39 0.26 0.00 1.02 -0.93 -5.16 118.68 115.75 1ur6 s LEU 97 Ca 0.09 -0.79 0.11 0.00 0.02 0.00 0.00 54.13 53.55 1ur6 s LEU 97 Cb 0.07 -0.79 -0.05 0.00 0.02 0.00 0.00 46.19 45.45 1ur6 s LEU 97 CO 0.01 -0.03 -0.10 0.28 0.02 0.00 0.00 176.35 176.53 1ur6 s THR 98 N -1.78 2.99 0.47 5.49 -1.32 -1.26 -4.97 115.64 115.27 1ur6 s THR 98 Ca 0.11 -2.08 0.15 0.00 -1.21 0.00 0.00 61.69 58.66 1ur6 s THR 98 Cb -0.07 -2.57 0.31 0.00 -1.51 0.00 0.00 72.50 68.66 1ur6 s THR 98 CO 0.05 -0.34 2.05 -0.29 -2.21 0.00 0.00 174.62 173.88 1ur6 h ILE 99 N 2.20 0.95 -0.22 5.08 6.09 -2.00 -0.58 117.51 129.03 1ur6 h ILE 99 Ca -0.43 -0.09 -0.02 0.00 -1.37 0.00 0.00 64.86 62.95 1ur6 h ILE 99 Cb 1.25 0.67 -0.01 0.00 0.47 0.00 0.00 36.82 39.20 1ur6 h ILE 99 CO 0.59 0.05 0.04 0.28 -3.07 0.00 0.00 178.15 176.04 1ur6 h SER 100 N 0.26 0.28 0.06 2.19 0.02 -1.99 -1.16 113.55 113.21 1ur6 h SER 100 Ca 0.16 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 1ur6 h SER 100 Cb 0.30 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1ur6 h SER 100 CO -0.03 0.30 -0.46 0.50 -1.14 0.00 0.00 176.83 176.00 1ur6 h LYS 101 N 0.31 0.48 -0.53 3.45 1.63 -1.51 -1.64 116.57 118.76 1ur6 h LYS 101 Ca 0.08 -0.26 -0.10 0.00 -0.85 0.00 0.00 60.65 59.51 1ur6 h LYS 101 Cb 0.14 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1ur6 h LYS 101 CO -0.00 0.84 -0.06 0.28 -3.45 0.00 0.00 179.45 177.06 1ur6 h VAL 102 N 0.39 1.27 -0.45 2.00 2.07 -1.15 -2.06 116.25 118.30 1ur6 h VAL 102 Ca 0.02 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1ur6 h VAL 102 Cb 0.96 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1ur6 h VAL 102 CO 0.08 0.42 0.08 -0.07 0.02 0.00 0.00 177.57 178.11 1ur6 h LEU 103 N 0.85 0.64 -1.09 2.57 3.38 -1.04 -1.65 115.31 118.96 1ur6 h LEU 103 Ca 0.14 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1ur6 h LEU 103 Cb 0.61 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1ur6 h LEU 103 CO 0.04 0.66 -0.09 -0.07 0.09 0.00 0.00 178.44 179.07 1ur6 h LEU 104 N 0.66 0.52 -0.94 1.67 3.38 -0.91 -2.22 115.31 117.47 1ur6 h LEU 104 Ca 0.15 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1ur6 h LEU 104 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ur6 h LEU 104 CO 0.00 0.65 -0.32 0.28 0.09 0.00 0.00 178.44 179.15 1ur6 h SER 105 N 0.50 0.40 -0.33 -0.43 0.02 -0.63 -1.90 113.55 111.19 1ur6 h SER 105 Ca 0.10 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1ur6 h SER 105 Cb 0.46 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1ur6 h SER 105 CO 0.02 0.70 -0.14 0.40 -1.14 0.00 0.00 176.83 176.68 1ur6 h ILE 106 N 0.34 1.26 -0.58 3.27 2.04 -0.84 -0.16 117.51 122.84 1ur6 h ILE 106 Ca 0.04 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.61 1ur6 h ILE 106 Cb 0.73 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1ur6 h ILE 106 CO 0.06 0.41 0.03 0.00 0.00 0.00 0.00 178.15 178.64 1ur6 h SER 108 N 0.90 0.00 1.17 0.00 4.64 -1.16 -2.93 113.55 116.17 1ur6 h SER 108 Ca 0.17 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1ur6 h SER 108 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1ur6 h SER 108 CO 0.02 0.63 -0.29 0.25 -0.87 0.00 0.00 176.83 176.57 1ur6 h LEU 109 N 0.00 0.00 -0.41 5.97 5.85 -0.72 -3.12 115.31 122.88 1ur6 h LEU 109 Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1ur6 h LEU 109 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1ur6 h LEU 109 CO 0.08 0.29 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.28 1ur6 h LEU 110 N 0.00 0.82 -8.38 2.25 3.38 -0.99 -3.30 115.31 109.10 1ur6 h LEU 110 Ca -0.00 -0.37 -0.54 0.00 0.09 0.00 0.00 57.88 57.05 1ur6 h LEU 110 Cb 0.96 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1ur6 h LEU 110 CO 0.04 1.01 1.07 0.00 0.09 0.00 0.00 178.44 180.65 1ur6 n ASP 112 N 9.53 -5.40 -2.66 0.00 2.03 -1.26 -4.97 116.55 113.82 1ur6 n ASP 112 Ca 0.04 1.28 0.00 0.00 0.52 0.00 0.00 54.79 56.63 1ur6 n ASP 112 Cb 0.49 -4.91 0.00 0.00 -0.72 0.00 0.00 41.12 35.98 1ur6 n ASP 112 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1ur6 n PRO 113 N 0.90 -0.44 -4.39 -0.67 -0.02 -1.24 -4.88 135.00 124.26 1ur6 n PRO 113 Ca -0.11 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.02 1ur6 n PRO 113 Cb 0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.55 1ur6 n PRO 113 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ur6 s ASN 114 N -1.43 5.06 0.23 2.55 3.84 -1.26 -5.00 114.94 118.92 1ur6 s ASN 114 Ca 0.00 0.04 0.19 0.00 0.21 0.00 0.00 52.86 53.30 1ur6 s ASN 114 Cb 0.00 -1.54 0.90 0.00 -0.55 0.00 0.00 41.25 40.06 1ur6 s ASN 114 CO 0.00 0.30 1.57 -2.65 -2.79 0.00 0.00 177.10 173.53 1ur6 n PRO 115 N 2.63 0.13 -1.84 0.43 -0.02 -1.26 -4.64 135.00 130.42 1ur6 n PRO 115 Ca -0.18 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 1ur6 n PRO 115 Cb 0.53 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 1ur6 n PRO 115 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ur6 s ASP 116 N -3.87 5.84 -0.21 2.55 2.15 -1.26 -4.57 116.67 117.30 1ur6 s ASP 116 Ca 0.01 1.69 -0.27 0.00 0.43 0.00 0.00 52.55 54.41 1ur6 s ASP 116 Cb 0.07 -2.52 -0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1ur6 s ASP 116 CO 0.24 -1.68 0.93 1.51 -0.17 0.00 0.00 175.17 176.00 1ur6 s ASP 117 N 6.51 7.00 0.00 -0.34 -4.77 -1.26 -4.77 116.67 119.04 1ur6 s ASP 117 Ca 0.87 1.24 0.00 0.00 -3.30 0.00 0.00 52.55 51.37 1ur6 s ASP 117 Cb -0.29 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 1ur6 s ASP 117 CO 0.34 -0.55 0.00 -0.81 0.70 0.00 0.00 175.17 174.85 1ur6 n PRO 118 N 5.91 0.00 -0.15 2.11 -0.04 -1.26 -4.85 135.00 136.72 1ur6 n PRO 118 Ca 0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1ur6 n PRO 118 Cb 0.47 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 34.15 1ur6 n PRO 118 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ur6 h LEU 119 N 0.00 0.79 -8.27 1.53 3.38 -1.95 -3.38 115.31 107.41 1ur6 h LEU 119 Ca 0.00 -0.09 -0.69 0.00 0.09 0.00 0.00 57.88 57.18 1ur6 h LEU 119 Cb 0.00 -0.20 -0.27 0.00 0.09 0.00 0.00 40.66 40.27 1ur6 h LEU 119 CO 0.00 0.69 -0.60 -0.69 0.09 0.00 0.00 178.44 177.94 1ur6 s VAL 120 N -5.45 3.95 -0.03 1.22 1.01 -1.26 -5.01 120.40 114.83 1ur6 s VAL 120 Ca -0.10 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.67 1ur6 s VAL 120 Cb 0.16 -3.18 -0.17 0.00 0.00 0.00 0.00 36.38 33.19 1ur6 s VAL 120 CO 0.79 -0.12 1.01 -0.65 0.00 0.00 0.00 175.10 176.13 1ur6 h PRO 121 N 8.26 -0.23 -0.87 2.72 0.11 -1.89 -3.37 132.00 136.73 1ur6 h PRO 121 Ca -0.25 0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.04 1ur6 h PRO 121 Cb 1.10 0.05 -0.16 0.00 0.11 0.00 0.00 31.00 32.10 1ur6 h PRO 121 CO 0.61 0.19 -0.24 1.05 -0.21 0.00 0.00 178.00 179.40 1ur6 h GLU 122 N -0.79 -0.01 -0.75 1.05 4.11 -1.97 0.51 114.58 116.73 1ur6 h GLU 122 Ca -0.02 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.48 1ur6 h GLU 122 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1ur6 h GLU 122 CO 0.04 -0.01 0.49 -0.84 0.07 0.00 0.00 179.01 178.77 1ur6 h ILE 123 N -0.01 1.01 0.02 -1.06 3.07 -1.92 -0.33 117.51 118.30 1ur6 h ILE 123 Ca 0.40 -0.27 -0.32 0.00 1.55 0.00 0.00 64.86 66.23 1ur6 h ILE 123 Cb 0.63 0.17 -0.05 0.00 -0.27 0.00 0.00 36.82 37.30 1ur6 h ILE 123 CO -0.89 0.14 -1.89 0.00 -1.05 0.00 0.00 178.15 174.46 1ur6 n ALA 124 N -2.44 1.37 -0.19 0.16 0.00 -0.16 -3.84 120.51 115.41 1ur6 n ALA 124 Ca 0.11 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 1ur6 n ALA 124 Cb 0.24 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 0.01 0.83 -0.36 0.00 3.08 0.30 -2.45 114.38 115.79 1ur6 h ARG 125 Ca -0.36 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.47 1ur6 h ARG 125 Cb 2.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.96 1ur6 h ARG 125 CO 0.07 0.76 0.04 0.82 -1.07 0.00 0.00 179.97 180.58 1ur6 h ILE 126 N 0.74 1.19 -0.60 2.04 1.08 -1.24 -2.41 117.51 118.30 1ur6 h ILE 126 Ca 0.17 -0.72 -0.04 0.00 -0.39 0.00 0.00 64.86 63.88 1ur6 h ILE 126 Cb 0.27 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 1ur6 h ILE 126 CO -0.01 0.25 0.20 0.22 -0.69 0.00 0.00 178.15 178.12 1ur6 h TYR 127 N 0.53 0.92 -0.55 1.37 3.20 -1.55 0.17 116.97 121.06 1ur6 h TYR 127 Ca 0.12 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ur6 h TYR 127 Cb 0.28 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1ur6 h TYR 127 CO 0.01 0.74 0.00 0.36 -1.64 0.00 0.00 178.16 177.63 1ur6 n LYS 128 N -4.29 2.60 -0.01 1.82 2.85 -0.95 -4.01 118.16 116.17 1ur6 n LYS 128 Ca 0.05 -2.11 -0.03 0.00 -1.05 0.00 0.00 58.31 55.17 1ur6 n LYS 128 Cb 0.20 -1.55 -0.01 0.00 -0.65 0.00 0.00 35.03 33.02 1ur6 n LYS 128 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1ur6 n THR 129 N 1.06 0.16 -3.45 0.58 -2.24 -0.93 -4.98 114.28 104.47 1ur6 n THR 129 Ca 0.19 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.71 1ur6 n THR 129 Cb 0.56 -1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 67.57 1ur6 n THR 129 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ur6 s ASP 130 N -4.81 2.35 0.18 3.42 -1.08 0.00 -5.02 116.67 111.71 1ur6 s ASP 130 Ca -0.04 -1.04 -0.13 0.00 -0.52 0.00 0.00 52.55 50.82 1ur6 s ASP 130 Cb 0.01 0.18 0.11 0.00 -1.46 0.00 0.00 42.92 41.76 1ur6 s ASP 130 CO 0.06 -0.40 1.80 -0.09 0.52 0.00 0.00 175.17 177.06 1ur6 h ARG 131 N 8.20 0.55 -0.60 4.34 9.65 -1.74 -0.83 114.38 133.95 1ur6 h ARG 131 Ca -0.14 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.64 1ur6 h ARG 131 Cb 1.05 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.48 1ur6 h ARG 131 CO 0.36 0.36 0.12 1.49 2.80 0.00 0.00 179.97 185.10 1ur6 h GLU 132 N 0.56 0.96 -0.13 0.20 4.22 -1.93 0.12 114.58 118.58 1ur6 h GLU 132 Ca 0.21 -0.23 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 1ur6 h GLU 132 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1ur6 h GLU 132 CO -0.12 0.88 0.05 -0.22 -2.18 0.00 0.00 179.01 177.42 1ur6 h LYS 133 N 0.91 0.20 -0.60 1.92 3.64 -1.79 0.13 116.57 120.99 1ur6 h LYS 133 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1ur6 h LYS 133 Cb 0.37 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1ur6 h LYS 133 CO 0.01 0.31 0.34 -0.92 -2.27 0.00 0.00 179.45 176.92 1ur6 h TYR 134 N 0.06 0.80 -0.74 1.91 3.20 -0.91 -1.97 116.97 119.32 1ur6 h TYR 134 Ca 0.04 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1ur6 h TYR 134 Cb 0.18 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1ur6 h TYR 134 CO -0.01 0.57 0.33 -0.97 -1.64 0.00 0.00 178.16 176.43 1ur6 h ASN 135 N 0.81 0.99 0.45 -2.11 -0.73 -0.53 0.20 115.58 114.65 1ur6 h ASN 135 Ca 0.21 -0.15 -0.09 0.00 1.87 0.00 0.00 56.30 58.15 1ur6 h ASN 135 Cb 0.01 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.33 1ur6 h ASN 135 CO -0.04 0.86 -0.41 0.08 -0.37 0.00 0.00 177.43 177.56 1ur6 h ARG 136 N 1.04 0.00 0.19 6.67 0.11 -0.44 0.89 114.38 122.85 1ur6 h ARG 136 Ca 0.25 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.06 1ur6 h ARG 136 Cb 0.16 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.27 1ur6 h ARG 136 CO -0.03 0.41 -1.19 0.82 0.10 0.00 0.00 179.97 180.08 1ur6 h ILE 137 N 0.00 1.36 -0.23 0.08 2.04 -0.91 -3.17 117.51 116.68 1ur6 h ILE 137 Ca -0.00 -2.60 -0.04 0.00 1.00 0.00 0.00 64.86 63.21 1ur6 h ILE 137 Cb 0.74 3.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 1ur6 h ILE 137 CO 0.05 0.76 -0.02 0.00 0.00 0.00 0.00 178.15 178.95 1ur6 h ALA 138 N 0.11 0.31 -0.80 1.87 0.00 -0.49 -2.20 119.26 118.07 1ur6 h ALA 138 Ca -0.21 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ur6 h ALA 138 Cb 1.91 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1ur6 h ALA 138 CO 0.20 0.06 0.52 0.07 0.00 0.00 0.00 179.25 180.11 1ur6 h ARG 139 N 0.17 1.05 -0.18 0.00 0.11 -0.96 -1.80 114.38 112.78 1ur6 h ARG 139 Ca 0.06 -0.07 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1ur6 h ARG 139 Cb 0.45 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 1ur6 h ARG 139 CO 0.02 0.70 -0.24 0.93 0.10 0.00 0.00 179.97 181.49 1ur6 h GLU 140 N 1.08 0.32 0.41 0.08 5.08 -1.51 -2.06 114.58 117.98 1ur6 h GLU 140 Ca 0.29 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1ur6 h GLU 140 Cb -0.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1ur6 h GLU 140 CO -0.06 0.55 -0.20 2.35 -1.00 0.00 0.00 179.01 180.65 1ur6 h TRP 141 N 0.29 -0.51 -0.66 4.33 2.91 -0.69 -0.83 115.95 120.79 1ur6 h TRP 141 Ca 0.05 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1ur6 h TRP 141 Cb 0.58 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.37 1ur6 h TRP 141 CO 0.01 -0.26 0.37 1.15 -1.03 0.00 0.00 178.44 178.68 1ur6 h THR 142 N -0.65 1.20 -0.46 2.65 2.02 -1.31 0.93 112.91 117.30 1ur6 h THR 142 Ca -0.06 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1ur6 h THR 142 Cb 0.48 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1ur6 h THR 142 CO 0.09 0.22 0.09 1.56 0.37 0.00 0.00 175.52 177.85 1ur6 h GLN 143 N 0.92 0.75 0.00 6.66 4.20 -1.18 -1.09 115.11 125.37 1ur6 h GLN 143 Ca 0.23 -0.19 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 1ur6 h GLN 143 Cb 0.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1ur6 h GLN 143 CO -0.04 0.76 -0.79 0.87 -0.67 0.00 0.00 178.83 178.95 1ur6 h LYS 144 N 0.62 0.00 -0.29 1.46 1.57 -0.79 -3.14 116.57 115.99 1ur6 h LYS 144 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1ur6 h LYS 144 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ur6 h LYS 144 CO 0.01 0.79 0.00 0.66 -0.57 0.00 0.00 179.45 180.34 1ur6 n TYR 145 N -3.39 0.38 -2.46 -1.35 4.02 0.29 -4.84 117.16 109.82 1ur6 n TYR 145 Ca 0.00 -0.19 -0.43 0.00 -0.01 0.00 0.00 57.90 57.27 1ur6 n TYR 145 Cb 0.82 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.12 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 -1.62 3.12 0.00 -0.72 0.00 -0.42 -4.97 121.76 117.15 1ur6 s ALA 146 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1ur6 s ALA 146 Cb 0.18 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1ur6 s ALA 146 CO 0.25 -2.28 0.36 -1.33 0.00 0.00 0.00 175.76 172.76