#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqr n LYS 2 N 0.00 -4.62 -4.09 3.17 5.02 -1.26 -4.35 118.16 112.03 1uqr n LYS 2 Ca 0.00 3.27 -0.31 0.00 -2.02 0.00 0.00 58.31 59.24 1uqr n LYS 2 Cb 0.00 -3.70 -0.07 0.00 -0.02 0.00 0.00 35.03 31.24 1uqr n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1uqr s LYS 3 N -0.44 2.89 -0.03 1.97 2.20 -1.26 -3.34 119.74 121.73 1uqr s LYS 3 Ca 0.00 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 55.03 1uqr s LYS 3 Cb 0.00 -2.74 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1uqr s LYS 3 CO 0.00 0.59 -0.24 0.42 -0.36 0.00 0.00 175.35 175.76 1uqr s ILE 4 N -1.31 1.91 -0.17 5.43 1.01 0.10 -0.70 121.20 127.47 1uqr s ILE 4 Ca 0.27 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1uqr s ILE 4 Cb -0.12 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1uqr s ILE 4 CO 0.19 0.54 -0.10 -0.22 0.00 0.00 0.00 174.94 175.34 1uqr s LEU 5 N -0.40 2.73 -0.28 2.97 2.96 -0.17 -1.09 118.68 125.41 1uqr s LEU 5 Ca 0.04 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 1uqr s LEU 5 Cb -0.11 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 1uqr s LEU 5 CO 0.01 0.07 0.22 -0.22 -1.32 0.00 0.00 176.35 175.10 1uqr s LEU 6 N 0.93 4.03 -0.08 -0.68 2.96 0.57 -1.11 118.68 125.30 1uqr s LEU 6 Ca -0.02 0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1uqr s LEU 6 Cb -0.15 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 1uqr s LEU 6 CO -0.00 -0.07 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.98 1uqr s LEU 7 N 1.77 2.20 -0.05 -0.68 1.43 0.59 -1.10 118.68 122.85 1uqr s LEU 7 Ca 0.08 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1uqr s LEU 7 Cb -0.16 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 1uqr s LEU 7 CO 0.10 0.22 -0.16 0.20 0.23 0.00 0.00 176.35 176.94 1uqr s ASN 8 N 0.01 2.08 0.01 2.29 0.01 -0.38 -1.00 114.94 117.96 1uqr s ASN 8 Ca -0.08 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1uqr s ASN 8 Cb -0.15 -0.65 0.00 0.00 0.41 0.00 0.00 41.25 40.86 1uqr s ASN 8 CO 0.05 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1uqr n GLY 9 N 3.27 0.60 3.63 0.66 0.00 0.14 -2.54 105.19 110.95 1uqr n GLY 9 Ca -0.19 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.54 1uqr n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uqr n PRO 10 N -0.02 1.66 -0.23 1.61 -0.04 -1.05 -2.75 135.00 134.19 1uqr n PRO 10 Ca 0.00 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1uqr n PRO 10 Cb 0.00 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1uqr n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1uqr n ASN 11 N 1.47 0.00 0.28 3.54 3.02 -1.26 -4.53 115.26 117.78 1uqr n ASN 11 Ca 0.10 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.81 1uqr n ASN 11 Cb 0.32 -0.78 0.84 0.00 -0.61 0.00 0.00 39.78 39.54 1uqr n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1uqr h LEU 12 N 0.00 0.00 -0.82 3.41 -0.00 -1.89 -1.42 115.31 114.59 1uqr h LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1uqr h LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1uqr h LEU 12 CO 0.00 0.06 0.00 -0.46 -0.00 0.00 0.00 178.44 178.04 1uqr n ASN 13 N -3.43 0.60 -0.01 -0.43 6.94 -1.26 -2.06 115.26 115.61 1uqr n ASN 13 Ca -0.02 0.68 0.14 0.00 -0.02 0.00 0.00 54.58 55.36 1uqr n ASN 13 Cb 0.20 -0.79 0.68 0.00 -2.36 0.00 0.00 39.78 37.51 1uqr n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1uqr n MET 14 N -2.20 0.29 -1.67 -3.83 2.81 -0.54 -4.78 117.12 107.21 1uqr n MET 14 Ca 0.01 -0.02 -0.48 0.00 -1.81 0.00 0.00 57.70 55.40 1uqr n MET 14 Cb 0.18 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.14 1uqr n MET 14 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1uqr n LEU 15 N -1.34 3.13 0.00 4.03 7.94 -0.87 -1.37 117.00 128.53 1uqr n LEU 15 Ca 0.12 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1uqr n LEU 15 Cb 0.28 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 42.85 1uqr n LEU 15 CO 0.25 -0.24 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 1uqr n GLY 16 N 3.82 0.49 0.08 -3.96 0.00 -1.20 -3.88 105.19 100.55 1uqr n GLY 16 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 1uqr n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uqr n LYS 17 N -2.70 0.93 -2.55 1.61 4.76 -0.47 -4.85 118.16 114.90 1uqr n LYS 17 Ca 0.00 -0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 54.98 1uqr n LYS 17 Cb 0.03 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.72 1uqr n LYS 17 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1uqr s ARG 18 N -2.57 4.28 0.05 1.97 0.52 -1.26 -4.95 118.95 116.98 1uqr s ARG 18 Ca -0.09 1.51 -0.26 0.00 -0.52 0.00 0.00 55.73 56.38 1uqr s ARG 18 Cb 0.06 -3.67 -0.17 0.00 0.52 0.00 0.00 34.95 31.70 1uqr s ARG 18 CO 0.77 -0.61 1.53 1.49 0.02 0.00 0.00 175.30 178.51 1uqr h GLU 19 N 7.70 -0.24 -5.65 3.54 4.57 -1.99 -3.24 114.58 119.28 1uqr h GLU 19 Ca -0.25 0.02 -0.35 0.00 -1.18 0.00 0.00 59.36 57.60 1uqr h GLU 19 Cb 1.10 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1uqr h GLU 19 CO 0.95 -0.04 1.12 -1.25 -1.18 0.00 0.00 179.01 178.62 1uqr s PRO 20 N -5.52 2.15 0.38 0.92 0.04 -1.26 -4.79 135.00 126.91 1uqr s PRO 20 Ca -0.15 0.85 -0.27 0.00 0.04 0.00 0.00 61.00 61.47 1uqr s PRO 20 Cb 0.04 -4.64 -0.09 0.00 0.04 0.00 0.00 34.50 29.85 1uqr s PRO 20 CO 0.63 -3.43 1.31 -3.38 0.04 0.00 0.00 177.00 172.17 1uqr s HIS 21 N 11.88 2.88 -0.12 0.56 -3.43 -1.22 -4.98 115.29 120.86 1uqr s HIS 21 Ca 0.87 1.40 -0.06 0.00 -0.80 0.00 0.00 55.06 56.47 1uqr s HIS 21 Cb -0.14 -3.69 -0.05 0.00 -1.43 0.00 0.00 32.58 27.27 1uqr s HIS 21 CO 0.18 -2.05 -0.15 -0.89 -2.00 0.00 0.00 174.74 169.83 1uqr n ILE 22 N 0.36 0.64 -0.07 -5.38 5.41 -1.26 -4.88 119.36 114.18 1uqr n ILE 22 Ca 0.02 -0.16 -0.09 0.00 1.00 0.00 0.00 62.75 63.52 1uqr n ILE 22 Cb 0.43 -1.66 -0.08 0.00 -0.71 0.00 0.00 39.64 37.62 1uqr n ILE 22 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1uqr n TYR 23 N -3.52 0.00 -0.01 1.39 4.02 -1.26 -5.13 117.16 112.64 1uqr n TYR 23 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1uqr n TYR 23 Cb 0.66 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1uqr n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uqr n GLY 24 N 2.57 0.54 0.33 2.72 0.00 -1.26 -4.88 105.19 105.21 1uqr n GLY 24 Ca -0.25 -1.87 0.21 0.00 0.00 0.00 0.00 46.02 44.11 1uqr n GLY 24 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uqr h SER 25 N 0.00 0.00 -3.31 1.61 0.87 -1.99 -3.37 113.55 107.36 1uqr h SER 25 Ca 0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 1uqr h SER 25 Cb 0.00 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.05 1uqr h SER 25 CO 0.00 0.00 0.82 1.67 -0.53 0.00 0.00 176.83 178.79 1uqr n GLN 26 N -3.16 2.60 -3.73 2.24 7.27 -1.26 -4.77 117.38 116.58 1uqr n GLN 26 Ca -0.03 0.92 -0.23 0.00 0.07 0.00 0.00 57.00 57.74 1uqr n GLN 26 Cb 0.10 -2.68 -0.03 0.00 2.41 0.00 0.00 30.24 30.04 1uqr n GLN 26 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1uqr s THR 27 N -0.23 2.39 0.24 1.69 -4.23 -1.26 -3.26 115.64 110.98 1uqr s THR 27 Ca 0.62 -1.44 -0.06 0.00 -1.18 0.00 0.00 61.69 59.64 1uqr s THR 27 Cb -0.51 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 70.73 1uqr s THR 27 CO 0.52 0.00 1.88 0.25 -0.54 0.00 0.00 174.62 176.72 1uqr h LEU 28 N 1.04 1.11 -0.83 4.79 5.85 -1.81 -2.21 115.31 123.25 1uqr h LEU 28 Ca -0.41 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.24 1uqr h LEU 28 Cb 1.27 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1uqr h LEU 28 CO 0.60 0.88 0.55 -1.28 -0.34 0.00 0.00 178.44 178.84 1uqr h SER 29 N 1.26 0.94 -0.69 1.25 0.87 -1.94 -0.86 113.55 114.37 1uqr h SER 29 Ca 0.32 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1uqr h SER 29 Cb -0.00 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 1uqr h SER 29 CO -0.05 0.67 0.46 0.44 -0.53 0.00 0.00 176.83 177.81 1uqr h ASP 30 N 1.11 0.78 -0.50 6.23 3.32 -1.80 -0.44 116.42 125.12 1uqr h ASP 30 Ca 0.31 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1uqr h ASP 30 Cb -0.10 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1uqr h ASP 30 CO -0.08 0.56 0.07 0.40 -1.72 0.00 0.00 179.24 178.47 1uqr h ILE 31 N 0.92 1.25 0.01 0.35 2.04 -1.10 -0.23 117.51 120.77 1uqr h ILE 31 Ca 0.26 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1uqr h ILE 31 Cb -0.08 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1uqr h ILE 31 CO -0.07 0.34 -0.03 -0.33 0.00 0.00 0.00 178.15 178.07 1uqr h GLU 32 N 0.71 -0.05 -0.48 2.37 5.08 -0.74 -0.06 114.58 121.41 1uqr h GLU 32 Ca 0.15 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1uqr h GLU 32 Cb 0.42 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1uqr h GLU 32 CO 0.01 -0.04 0.20 1.96 -1.00 0.00 0.00 179.01 180.14 1uqr h GLN 33 N -0.06 0.71 -0.32 2.33 1.08 -1.01 -1.46 115.11 116.39 1uqr h GLN 33 Ca 0.01 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1uqr h GLN 33 Cb 0.06 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1uqr h GLN 33 CO -0.02 0.64 0.21 1.25 -0.95 0.00 0.00 178.83 179.95 1uqr h HIS 34 N 0.63 0.41 -0.46 2.96 2.76 -0.83 -0.39 115.15 120.22 1uqr h HIS 34 Ca 0.16 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 1uqr h HIS 34 Cb 0.19 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1uqr h HIS 34 CO 0.00 0.26 -0.18 -0.07 -1.30 0.00 0.00 177.93 176.65 1uqr h LEU 35 N 0.43 0.92 -0.45 0.26 4.07 -0.91 -2.04 115.31 117.60 1uqr h LEU 35 Ca 0.12 -0.32 -0.09 0.00 0.08 0.00 0.00 57.88 57.67 1uqr h LEU 35 Cb -0.04 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.43 1uqr h LEU 35 CO -0.02 1.08 -0.06 -0.61 -1.08 0.00 0.00 178.44 177.75 1uqr h GLN 36 N 0.80 0.83 -0.73 1.13 4.15 -1.06 -1.23 115.11 118.98 1uqr h GLN 36 Ca 0.11 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 1uqr h GLN 36 Cb 0.72 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 1uqr h GLN 36 CO 0.06 0.91 0.31 1.96 -1.93 0.00 0.00 178.83 180.14 1uqr h GLN 37 N 0.66 1.08 -0.40 1.69 1.08 -1.00 -1.76 115.11 116.47 1uqr h GLN 37 Ca 0.12 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 1uqr h GLN 37 Cb 0.58 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1uqr h GLN 37 CO 0.03 0.88 0.04 1.03 -0.95 0.00 0.00 178.83 179.86 1uqr h SER 38 N 1.05 0.65 -0.33 1.46 0.87 -1.21 -1.11 113.55 114.92 1uqr h SER 38 Ca 0.25 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1uqr h SER 38 Cb 0.18 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1uqr h SER 38 CO -0.02 0.77 0.18 0.00 -0.53 0.00 0.00 176.83 177.22 1uqr h ALA 39 N 0.91 0.42 -0.70 6.23 0.00 -1.05 -2.61 119.26 122.47 1uqr h ALA 39 Ca 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1uqr h ALA 39 Cb 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1uqr h ALA 39 CO 0.01 -0.04 0.28 1.96 0.00 0.00 0.00 179.25 181.45 1uqr h GLN 40 N 0.41 1.04 -0.00 0.00 4.20 -1.00 0.23 115.11 119.99 1uqr h GLN 40 Ca 0.11 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1uqr h GLN 40 Cb 0.07 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1uqr h GLN 40 CO -0.02 0.87 0.00 0.00 -0.67 0.00 0.00 178.83 179.01 1uqr h ALA 41 N 1.13 1.56 -0.50 3.87 0.00 -0.99 0.36 119.26 124.69 1uqr h ALA 41 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1uqr h ALA 41 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uqr h ALA 41 CO -0.02 -0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.27 1uqr n GLN 42 N -3.89 2.28 -1.78 0.00 6.02 -0.75 -4.93 117.38 114.33 1uqr n GLN 42 Ca -0.03 -1.98 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 1uqr n GLN 42 Cb 0.08 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1uqr n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uqr n GLY 43 N 1.39 0.54 3.30 1.08 0.00 0.12 -5.07 105.19 106.54 1uqr n GLY 43 Ca 0.19 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 1uqr n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uqr s TYR 44 N -2.00 1.64 -0.06 1.61 2.02 -0.01 -4.88 117.35 115.67 1uqr s TYR 44 Ca 0.00 -0.52 -0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1uqr s TYR 44 Cb 0.00 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 1uqr s TYR 44 CO 0.00 0.26 0.13 -1.21 -1.57 0.00 0.00 175.55 173.16 1uqr s GLU 45 N -2.93 3.32 -0.07 -0.62 2.02 -1.21 -2.47 118.70 116.74 1uqr s GLU 45 Ca 0.15 -0.29 -0.03 0.00 0.02 0.00 0.00 54.97 54.82 1uqr s GLU 45 Cb -0.04 -3.05 0.04 0.00 0.10 0.00 0.00 34.13 31.17 1uqr s GLU 45 CO 0.05 0.71 0.15 -1.17 0.02 0.00 0.00 175.26 175.02 1uqr s LEU 46 N -1.45 0.37 0.17 1.80 0.20 -1.26 -0.73 118.68 117.78 1uqr s LEU 46 Ca 0.20 0.31 0.05 0.00 0.69 0.00 0.00 54.13 55.38 1uqr s LEU 46 Cb -0.12 0.31 -0.04 0.00 -0.43 0.00 0.00 46.19 45.91 1uqr s LEU 46 CO 0.11 -0.19 0.12 -1.81 -0.29 0.00 0.00 176.35 174.29 1uqr s ASP 47 N 1.67 5.46 0.04 3.68 -0.00 -0.25 -4.89 116.67 122.37 1uqr s ASP 47 Ca -0.04 -0.15 0.01 0.00 -0.00 0.00 0.00 52.55 52.37 1uqr s ASP 47 Cb -0.12 -1.41 -0.02 0.00 -0.00 0.00 0.00 42.92 41.37 1uqr s ASP 47 CO -0.06 0.07 -0.05 -0.72 -0.00 0.00 0.00 175.17 174.41 1uqr s TYR 48 N -1.75 0.47 -0.15 4.23 -0.85 -1.26 -0.31 117.35 117.72 1uqr s TYR 48 Ca 0.31 -0.59 -0.25 0.00 -0.52 0.00 0.00 57.07 56.02 1uqr s TYR 48 Cb -0.10 -0.30 0.06 0.00 0.38 0.00 0.00 41.96 42.00 1uqr s TYR 48 CO 0.23 -0.16 0.63 0.12 -1.52 0.00 0.00 175.55 174.85 1uqr s PHE 49 N -1.76 -0.65 -0.01 -3.49 5.36 -0.26 -4.94 117.98 112.22 1uqr s PHE 49 Ca -0.10 1.40 -0.02 0.00 -0.96 0.00 0.00 56.93 57.25 1uqr s PHE 49 Cb -0.08 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 1uqr s PHE 49 CO -0.01 -0.44 0.04 -1.14 -1.46 0.00 0.00 175.22 172.20 1uqr s GLN 50 N -0.35 0.13 0.10 10.12 -0.44 -1.26 -1.25 119.66 126.71 1uqr s GLN 50 Ca -0.05 -0.07 -0.25 0.00 -2.50 0.00 0.00 55.36 52.48 1uqr s GLN 50 Cb -0.03 0.05 0.07 0.00 -1.64 0.00 0.00 33.01 31.47 1uqr s GLN 50 CO 0.04 -0.02 0.63 0.00 0.50 0.00 0.00 175.29 176.45 1uqr s ALA 51 N -0.31 -1.65 -1.04 1.58 0.00 -1.05 -5.00 121.76 114.29 1uqr s ALA 51 Ca -0.04 0.71 0.18 0.00 0.00 0.00 0.00 51.96 52.82 1uqr s ALA 51 Cb -0.02 0.65 0.70 0.00 0.00 0.00 0.00 23.12 24.45 1uqr s ALA 51 CO -0.00 -0.67 1.61 0.09 0.00 0.00 0.00 175.76 176.79 1uqr n ASN 52 N -0.07 4.70 -4.01 0.00 3.02 -1.26 -2.52 115.26 115.12 1uqr n ASN 52 Ca -0.17 -2.48 -0.08 0.00 -0.03 0.00 0.00 54.58 51.82 1uqr n ASN 52 Cb 0.63 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 39.13 1uqr n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1uqr s GLY 53 N -0.97 0.32 0.18 7.41 0.00 -1.26 -4.70 107.32 108.29 1uqr s GLY 53 Ca 0.50 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 1uqr s GLY 53 CO 0.23 -0.99 1.70 0.83 0.00 0.00 0.00 173.10 174.88 1uqr h GLU 54 N 3.52 0.96 -0.38 2.90 5.08 -1.99 -2.59 114.58 122.09 1uqr h GLU 54 Ca -0.33 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1uqr h GLU 54 Cb 1.17 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1uqr h GLU 54 CO 0.56 0.86 0.24 1.49 -1.00 0.00 0.00 179.01 181.17 1uqr h GLU 55 N 0.89 0.48 -0.30 2.33 4.81 -1.98 0.24 114.58 121.05 1uqr h GLU 55 Ca 0.20 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1uqr h GLU 55 Cb 0.30 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1uqr h GLU 55 CO -0.00 0.32 0.17 0.77 -0.73 0.00 0.00 179.01 179.53 1uqr h SER 56 N 0.50 0.37 -0.32 1.04 0.02 -1.98 -0.54 113.55 112.64 1uqr h SER 56 Ca 0.14 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1uqr h SER 56 Cb -0.04 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1uqr h SER 56 CO -0.04 0.34 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.92 1uqr h LEU 57 N 0.36 0.55 -0.87 5.07 3.38 -1.20 -2.37 115.31 120.24 1uqr h LEU 57 Ca 0.10 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1uqr h LEU 57 Cb 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1uqr h LEU 57 CO -0.02 0.73 0.22 0.40 0.09 0.00 0.00 178.44 179.86 1uqr h ILE 58 N 0.36 1.25 -0.55 1.22 2.04 -0.43 -1.19 117.51 120.20 1uqr h ILE 58 Ca 0.09 -0.86 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1uqr h ILE 58 Cb 0.45 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1uqr h ILE 58 CO 0.02 0.34 0.05 0.78 0.00 0.00 0.00 178.15 179.34 1uqr h ASN 59 N 1.01 0.86 -0.24 1.72 2.35 -1.02 -0.57 115.58 119.70 1uqr h ASN 59 Ca 0.22 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1uqr h ASN 59 Cb 0.28 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1uqr h ASN 59 CO -0.01 0.89 -0.23 -0.09 -1.65 0.00 0.00 177.43 176.35 1uqr h ARG 60 N 0.85 0.71 -0.39 0.81 9.65 -1.01 -1.54 114.38 123.45 1uqr h ARG 60 Ca 0.17 -0.28 -0.05 0.00 -1.10 0.00 0.00 59.98 58.71 1uqr h ARG 60 Cb 0.43 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1uqr h ARG 60 CO 0.01 0.88 0.03 0.82 2.80 0.00 0.00 179.97 184.51 1uqr h ILE 61 N 0.62 1.25 -0.62 1.20 2.04 -0.81 -2.45 117.51 118.75 1uqr h ILE 61 Ca 0.09 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1uqr h ILE 61 Cb 0.72 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1uqr h ILE 61 CO 0.06 0.32 0.26 0.45 0.00 0.00 0.00 178.15 179.24 1uqr h HIS 62 N 0.51 0.89 0.00 1.37 3.86 -0.94 -2.00 115.15 118.83 1uqr h HIS 62 Ca 0.12 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1uqr h HIS 62 Cb 0.42 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1uqr h HIS 62 CO 0.03 0.67 -0.12 1.96 0.86 0.00 0.00 177.93 181.33 1uqr h GLN 63 N 0.88 0.00 0.00 2.45 4.20 -1.00 -2.34 115.11 119.29 1uqr h GLN 63 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1uqr h GLN 63 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1uqr h GLN 63 CO -0.02 0.12 0.00 0.00 -0.67 0.00 0.00 178.83 178.26 1uqr n ALA 64 N -2.21 2.25 -1.64 3.87 0.00 -0.76 -4.82 120.51 117.21 1uqr n ALA 64 Ca -0.01 -0.03 -0.49 0.00 0.00 0.00 0.00 53.44 52.91 1uqr n ALA 64 Cb 0.30 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 1uqr n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uqr n PHE 65 N -2.10 1.95 -0.86 0.00 -0.00 -0.88 -1.49 117.46 114.08 1uqr n PHE 65 Ca 0.06 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 57.93 1uqr n PHE 65 Cb 0.40 -2.46 0.00 0.00 -0.00 0.00 0.00 39.48 37.42 1uqr n PHE 65 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1uqr n GLN 66 N 3.22 -0.60 0.00 -4.13 6.02 -1.26 -4.70 117.38 115.92 1uqr n GLN 66 Ca 0.18 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1uqr n GLN 66 Cb 0.24 -3.93 0.00 0.00 1.02 0.00 0.00 30.24 27.57 1uqr n GLN 66 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1uqr n ASN 67 N -0.30 0.01 -4.42 1.08 0.23 -0.80 -5.06 115.26 106.00 1uqr n ASN 67 Ca 0.00 -0.18 -0.33 0.00 -0.53 0.00 0.00 54.58 53.54 1uqr n ASN 67 Cb 0.15 0.27 -0.14 0.00 -2.08 0.00 0.00 39.78 37.98 1uqr n ASN 67 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1uqr s THR 68 N -0.27 2.89 -0.07 5.53 2.01 -0.55 -4.56 115.64 120.63 1uqr s THR 68 Ca 0.00 -0.77 0.20 0.00 0.31 0.00 0.00 61.69 61.43 1uqr s THR 68 Cb 0.00 -2.14 -0.31 0.00 0.01 0.00 0.00 72.50 70.07 1uqr s THR 68 CO 0.00 0.57 0.37 0.47 -0.69 0.00 0.00 174.62 175.34 1uqr n ASP 69 N 2.66 0.21 -3.66 3.53 9.92 0.13 -4.93 116.55 124.40 1uqr n ASP 69 Ca -0.17 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 53.94 1uqr n ASP 69 Cb 0.52 1.74 -0.08 0.00 -0.64 0.00 0.00 41.12 42.66 1uqr n ASP 69 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1uqr s PHE 70 N -3.23 -0.50 -0.04 1.24 2.19 -1.14 -4.41 117.98 112.08 1uqr s PHE 70 Ca -0.08 1.06 0.06 0.00 0.33 0.00 0.00 56.93 58.30 1uqr s PHE 70 Cb 0.12 0.23 -0.01 0.00 -1.31 0.00 0.00 43.02 42.04 1uqr s PHE 70 CO 0.85 -0.39 -0.23 0.42 1.83 0.00 0.00 175.22 177.70 1uqr s ILE 71 N -0.51 1.89 -0.24 3.12 1.01 -0.35 -1.00 121.20 125.11 1uqr s ILE 71 Ca -0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 1uqr s ILE 71 Cb -0.03 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.87 1uqr s ILE 71 CO 0.04 0.53 -0.08 -0.63 0.00 0.00 0.00 174.94 174.80 1uqr s ILE 72 N -0.23 2.77 -0.04 2.92 1.01 -0.27 -1.53 121.20 125.84 1uqr s ILE 72 Ca -0.00 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1uqr s ILE 72 Cb -0.12 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.96 1uqr s ILE 72 CO 0.02 0.22 -0.09 -0.51 0.00 0.00 0.00 174.94 174.58 1uqr s ILE 73 N 1.31 0.82 -0.47 2.92 2.07 -0.62 -0.30 121.20 126.94 1uqr s ILE 73 Ca 0.00 -0.35 -0.00 0.00 -1.41 0.00 0.00 60.65 58.89 1uqr s ILE 73 Cb -0.16 -0.75 0.12 0.00 0.13 0.00 0.00 42.46 41.80 1uqr s ILE 73 CO -0.05 0.27 0.24 0.21 -1.91 0.00 0.00 174.94 173.70 1uqr s ASN 74 N 0.41 5.01 0.00 4.50 3.84 -0.17 -1.10 114.94 127.44 1uqr s ASN 74 Ca -0.07 -2.43 0.21 0.00 0.21 0.00 0.00 52.86 50.79 1uqr s ASN 74 Cb -0.11 -1.77 1.14 0.00 -0.55 0.00 0.00 41.25 39.97 1uqr s ASN 74 CO 0.01 -0.42 1.67 -0.81 -2.79 0.00 0.00 177.10 174.76 1uqr n PRO 75 N 4.00 0.44 0.00 0.43 -0.04 -1.26 0.23 135.00 138.80 1uqr n PRO 75 Ca 0.03 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1uqr n PRO 75 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1uqr n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uqr n GLY 76 N 0.44 2.22 0.34 0.55 0.00 -1.26 -1.85 105.19 105.62 1uqr n GLY 76 Ca 0.12 -0.44 0.22 0.00 0.00 0.00 0.00 46.02 45.92 1uqr n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 77 N -0.93 1.05 0.00 4.61 0.00 -1.95 -2.27 119.26 119.77 1uqr h ALA 77 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uqr h ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uqr h ALA 77 CO 0.00 -0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1uqr n PHE 78 N -3.15 0.61 0.22 0.00 3.72 -0.77 -1.68 117.46 116.41 1uqr n PHE 78 Ca -0.03 0.27 0.06 0.00 -0.05 0.00 0.00 57.45 57.70 1uqr n PHE 78 Cb 0.07 -0.93 0.49 0.00 -0.94 0.00 0.00 39.48 38.17 1uqr n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uqr h THR 79 N 0.00 1.04 0.00 4.37 1.03 -1.54 0.10 112.91 117.91 1uqr h THR 79 Ca 0.00 -0.89 -0.04 0.00 -0.01 0.00 0.00 66.41 65.46 1uqr h THR 79 Cb 0.20 1.50 -0.01 0.00 -1.07 0.00 0.00 68.15 68.77 1uqr h THR 79 CO 0.00 0.24 -0.96 0.45 -0.01 0.00 0.00 175.52 175.25 1uqr h HIS 80 N 0.00 0.00 0.00 0.00 3.86 -1.50 0.81 115.15 118.32 1uqr h HIS 80 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uqr h HIS 80 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1uqr h HIS 80 CO 0.00 0.15 -0.97 0.25 0.86 0.00 0.00 177.93 178.22 1uqr n THR 81 N -2.80 0.00 -2.94 2.45 -2.24 -1.08 -4.75 114.28 102.92 1uqr n THR 81 Ca -0.02 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.32 1uqr n THR 81 Cb 0.62 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 1uqr n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uqr s SER 82 N -2.28 6.60 0.34 3.42 0.15 0.00 -4.77 113.70 117.16 1uqr s SER 82 Ca 0.00 -2.00 0.14 0.00 0.70 0.00 0.00 55.95 54.79 1uqr s SER 82 Cb 0.00 -2.39 0.59 0.00 -1.71 0.00 0.00 66.02 62.51 1uqr s SER 82 CO 0.00 -1.07 1.73 0.58 1.20 0.00 0.00 173.24 175.68 1uqr h VAL 83 N 5.81 1.20 -0.66 4.45 2.07 -1.92 -2.79 116.25 124.42 1uqr h VAL 83 Ca 0.13 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 1uqr h VAL 83 Cb 1.03 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1uqr h VAL 83 CO 1.10 0.45 0.35 0.00 0.02 0.00 0.00 177.57 179.50 1uqr h ALA 84 N 1.54 0.84 -0.23 1.67 0.00 -1.97 -0.34 119.26 120.77 1uqr h ALA 84 Ca -0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1uqr h ALA 84 Cb 0.89 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1uqr h ALA 84 CO 0.06 0.37 -0.57 0.82 0.00 0.00 0.00 179.25 179.93 1uqr h ILE 85 N 0.90 1.30 -0.28 0.00 2.04 -1.91 -1.69 117.51 117.87 1uqr h ILE 85 Ca 0.23 -1.79 0.04 0.00 1.00 0.00 0.00 64.86 64.35 1uqr h ILE 85 Cb 0.05 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1uqr h ILE 85 CO -0.04 0.57 0.03 -0.09 0.00 0.00 0.00 178.15 178.62 1uqr h ARG 86 N 0.53 0.12 0.00 2.37 2.43 -1.21 -1.25 114.38 117.37 1uqr h ARG 86 Ca 0.01 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1uqr h ARG 86 Cb 1.14 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1uqr h ARG 86 CO 0.12 0.08 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.93 1uqr h ASP 87 N 0.13 0.00 -0.23 -3.80 3.32 -0.91 -1.79 116.42 113.14 1uqr h ASP 87 Ca 0.13 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1uqr h ASP 87 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1uqr h ASP 87 CO -0.20 0.29 -0.16 0.00 -1.72 0.00 0.00 179.24 177.45 1uqr h ALA 88 N 1.71 0.33 -0.70 3.45 0.00 -0.54 -0.53 119.26 122.99 1uqr h ALA 88 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1uqr h ALA 88 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1uqr h ALA 88 CO 0.04 0.23 0.24 -0.07 0.00 0.00 0.00 179.25 179.69 1uqr h LEU 89 N 0.22 1.00 -0.81 0.00 3.38 -0.99 -2.54 115.31 115.57 1uqr h LEU 89 Ca 0.05 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1uqr h LEU 89 Cb 0.68 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1uqr h LEU 89 CO 0.04 0.93 -0.21 -0.07 0.09 0.00 0.00 178.44 179.21 1uqr h LEU 90 N 1.01 0.66 -1.18 1.67 3.38 -1.27 -2.93 115.31 116.65 1uqr h LEU 90 Ca 0.23 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1uqr h LEU 90 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1uqr h LEU 90 CO -0.01 0.87 -0.05 0.00 0.09 0.00 0.00 178.44 179.34 1uqr h ALA 91 N 1.18 1.33 -0.01 1.53 0.00 -0.70 -2.81 119.26 119.78 1uqr h ALA 91 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1uqr h ALA 91 Cb 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1uqr h ALA 91 CO 0.05 0.46 -0.26 1.33 0.00 0.00 0.00 179.25 180.83 1uqr n VAL 92 N -4.25 0.00 -3.94 0.00 0.24 -0.99 -4.97 118.33 104.42 1uqr n VAL 92 Ca 0.01 -0.12 -0.28 0.00 -2.04 0.00 0.00 64.34 61.91 1uqr n VAL 92 Cb 0.27 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 1uqr n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uqr n SER 93 N -0.67 -2.44 -4.32 -1.34 7.64 -1.06 -4.75 113.62 106.67 1uqr n SER 93 Ca 0.12 -0.90 -0.34 0.00 1.01 0.00 0.00 58.87 58.76 1uqr n SER 93 Cb 0.35 -3.48 -0.14 0.00 -1.01 0.00 0.00 64.21 59.92 1uqr n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uqr s ILE 94 N -3.57 3.25 0.45 0.44 1.01 -1.25 -5.09 121.20 116.44 1uqr s ILE 94 Ca 0.35 -0.55 -0.25 0.00 0.00 0.00 0.00 60.65 60.19 1uqr s ILE 94 Cb -0.18 -2.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.76 1uqr s ILE 94 CO 0.86 0.46 1.42 -2.84 0.00 0.00 0.00 174.94 174.84 1uqr s PRO 95 N 1.17 3.69 0.07 2.79 0.02 -1.26 -4.78 135.00 136.71 1uqr s PRO 95 Ca 0.02 2.40 -0.06 0.00 0.02 0.00 0.00 61.00 63.38 1uqr s PRO 95 Cb -0.14 -2.66 -0.02 0.00 0.02 0.00 0.00 34.50 31.70 1uqr s PRO 95 CO -0.02 -0.81 0.11 -0.59 -0.33 0.00 0.00 177.00 175.36 1uqr s PHE 96 N -1.21 0.29 -0.06 6.54 -0.71 -1.26 -1.22 117.98 120.36 1uqr s PHE 96 Ca 0.61 -0.76 0.05 0.00 -1.04 0.00 0.00 56.93 55.79 1uqr s PHE 96 Cb -0.43 -0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.19 1uqr s PHE 96 CO 0.56 -0.48 -0.22 -1.50 -1.34 0.00 0.00 175.22 172.24 1uqr s ILE 97 N -3.86 1.80 -0.10 -4.49 2.07 -0.58 -0.47 121.20 115.56 1uqr s ILE 97 Ca 0.06 -0.92 -0.15 0.00 -1.41 0.00 0.00 60.65 58.23 1uqr s ILE 97 Cb 0.06 -1.53 -0.05 0.00 0.13 0.00 0.00 42.46 41.07 1uqr s ILE 97 CO -0.11 0.51 0.36 -0.70 -1.91 0.00 0.00 174.94 173.09 1uqr s GLU 98 N -0.02 4.13 -0.01 3.50 2.12 -0.56 -1.59 118.70 126.28 1uqr s GLU 98 Ca -0.05 0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.58 1uqr s GLU 98 Cb -0.13 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1uqr s GLU 98 CO 0.04 0.38 -0.15 0.08 -0.54 0.00 0.00 175.26 175.06 1uqr s VAL 99 N -0.01 1.17 -0.01 3.70 1.01 -0.25 -1.18 120.40 124.83 1uqr s VAL 99 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1uqr s VAL 99 Cb -0.14 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1uqr s VAL 99 CO 0.08 0.30 0.00 -1.00 0.00 0.00 0.00 175.10 174.49 1uqr s HIS 100 N -0.39 0.10 0.04 5.22 3.76 -0.50 -4.04 115.29 119.49 1uqr s HIS 100 Ca 0.05 0.03 -0.23 0.00 -0.15 0.00 0.00 55.06 54.77 1uqr s HIS 100 Cb -0.06 -0.16 -0.15 0.00 1.11 0.00 0.00 32.58 33.32 1uqr s HIS 100 CO -0.00 -0.05 1.48 -0.07 -0.85 0.00 0.00 174.74 175.25 1uqr h LEU 101 N 6.64 0.14-10.46 0.89 3.38 -1.87 -2.22 115.31 111.81 1uqr h LEU 101 Ca -0.34 -0.30 -0.45 0.00 0.09 0.00 0.00 57.88 56.88 1uqr h LEU 101 Cb 1.17 -0.04 0.05 0.00 0.09 0.00 0.00 40.66 41.93 1uqr h LEU 101 CO 0.50 0.41 0.04 -0.94 0.09 0.00 0.00 178.44 178.53 1uqr s SER 102 N -5.64 5.39 -0.58 -0.43 1.04 -1.26 -1.55 113.70 110.67 1uqr s SER 102 Ca -0.14 0.28 -0.23 0.00 0.48 0.00 0.00 55.95 56.34 1uqr s SER 102 Cb 0.05 -1.23 0.06 0.00 0.10 0.00 0.00 66.02 64.99 1uqr s SER 102 CO 0.69 -1.10 0.89 0.21 0.98 0.00 0.00 173.24 174.92 1uqr s ASN 103 N -4.37 6.26 0.56 7.02 3.84 -1.26 -1.79 114.94 125.19 1uqr s ASN 103 Ca 0.55 -0.70 0.37 0.00 0.21 0.00 0.00 52.86 53.29 1uqr s ASN 103 Cb -0.10 -2.40 1.95 0.00 -0.55 0.00 0.00 41.25 40.14 1uqr s ASN 103 CO 0.41 -1.25 2.13 -0.37 -2.79 0.00 0.00 177.10 175.23 1uqr h VAL 104 N 5.98 0.00 0.00 -5.21 -1.51 -1.91 -2.11 116.25 111.49 1uqr h VAL 104 Ca -0.27 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1uqr h VAL 104 Cb 1.08 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1uqr h VAL 104 CO 1.10 0.00 -0.38 1.41 -1.23 0.00 0.00 177.57 178.47 1uqr n HIS 105 N -2.85 0.24 -0.34 5.19 8.25 -1.26 -3.77 115.22 120.67 1uqr n HIS 105 Ca -0.02 0.07 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 1uqr n HIS 105 Cb 0.10 -0.48 0.31 0.00 1.12 0.00 0.00 29.99 31.04 1uqr n HIS 105 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uqr n ALA 106 N -1.62 3.20 -2.96 -1.41 0.00 -0.79 -4.92 120.51 112.01 1uqr n ALA 106 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1uqr n ALA 106 Cb 0.37 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1uqr n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uqr n ARG 107 N 0.79 3.42 -1.93 0.00 1.74 -1.25 -5.08 116.66 114.36 1uqr n ARG 107 Ca 0.22 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.95 1uqr n ARG 107 Cb 0.85 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.33 1uqr n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1uqr s GLU 108 N 3.77 2.88 0.37 5.56 8.01 -1.26 -4.93 118.70 133.11 1uqr s GLU 108 Ca 0.00 1.72 0.10 0.00 0.01 0.00 0.00 54.97 56.80 1uqr s GLU 108 Cb 0.00 -1.93 0.85 0.00 -4.31 0.00 0.00 34.13 28.74 1uqr s GLU 108 CO 0.00 -1.25 1.91 -1.35 0.01 0.00 0.00 175.26 174.58 1uqr h PRO 109 N 0.64 0.63 0.00 0.39 0.11 -1.95 -1.42 132.00 130.39 1uqr h PRO 109 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1uqr h PRO 109 Cb 1.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1uqr h PRO 109 CO 0.54 0.41 0.00 0.27 -0.21 0.00 0.00 178.00 179.02 1uqr h PHE 110 N 0.65 0.00 -0.00 0.65 -5.15 -1.97 -1.57 116.94 109.54 1uqr h PHE 110 Ca 0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.16 1uqr h PHE 110 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.78 1uqr h PHE 110 CO -0.00 0.00 -0.02 0.54 -2.00 0.00 0.00 178.31 176.83 1uqr n ARG 111 N -2.74 1.11 0.19 6.09 1.74 -0.54 -3.41 116.66 119.11 1uqr n ARG 111 Ca -0.01 -0.29 0.13 0.00 -0.77 0.00 0.00 57.85 56.91 1uqr n ARG 111 Cb 0.15 -1.49 0.27 0.00 -1.02 0.00 0.00 32.46 30.36 1uqr n ARG 111 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1uqr h HIS 112 N 0.71 0.00 -2.70 -1.55 3.86 -1.42 -3.43 115.15 110.62 1uqr h HIS 112 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1uqr h HIS 112 Cb 0.20 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.60 1uqr h HIS 112 CO 0.00 0.00 -0.48 -1.58 0.86 0.00 0.00 177.93 176.73 1uqr s HIS 113 N -3.21 3.58 0.01 2.45 5.65 -1.22 -5.07 115.29 117.48 1uqr s HIS 113 Ca 0.08 0.47 -0.01 0.00 0.25 0.00 0.00 55.06 55.85 1uqr s HIS 113 Cb 0.07 -1.90 -0.01 0.00 -1.18 0.00 0.00 32.58 29.56 1uqr s HIS 113 CO 0.64 0.71 0.00 0.45 -0.65 0.00 0.00 174.74 175.89 1uqr s SER 114 N -1.33 0.13 0.00 9.88 0.15 -1.26 -4.28 113.70 117.00 1uqr s SER 114 Ca 0.19 -0.30 0.23 0.00 0.70 0.00 0.00 55.95 56.77 1uqr s SER 114 Cb -0.12 0.09 0.36 0.00 -1.71 0.00 0.00 66.02 64.64 1uqr s SER 114 CO 0.09 -0.21 1.35 -1.22 1.20 0.00 0.00 173.24 174.44 1uqr n TYR 115 N 2.05 0.37 -0.00 3.44 4.01 0.28 -4.52 117.16 122.79 1uqr n TYR 115 Ca -0.20 -0.19 -0.00 0.00 -0.16 0.00 0.00 57.90 57.34 1uqr n TYR 115 Cb 0.57 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1uqr n TYR 115 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1uqr n LEU 116 N 1.42 2.57 -0.31 7.72 4.77 -1.26 -4.67 117.00 127.24 1uqr n LEU 116 Ca 0.18 -0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.27 1uqr n LEU 116 Cb 0.59 -0.01 0.30 0.00 -2.33 0.00 0.00 43.42 41.97 1uqr n LEU 116 CO 0.15 0.44 1.09 0.28 -1.33 0.00 0.00 177.39 178.02 1uqr h SER 117 N 0.00 0.47 0.75 -1.43 0.02 -1.90 -1.42 113.55 110.03 1uqr h SER 117 Ca -0.01 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1uqr h SER 117 Cb 1.02 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1uqr h SER 117 CO -0.00 0.10 0.00 -2.24 -1.14 0.00 0.00 176.83 173.55 1uqr h ASP 118 N 0.52 0.00 -0.01 3.07 -0.00 -1.87 -2.89 116.42 115.23 1uqr h ASP 118 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.58 1uqr h ASP 118 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.29 1uqr h ASP 118 CO -0.46 0.00 -0.01 1.33 -0.00 0.00 0.00 179.24 180.10 1uqr n VAL 119 N -2.70 0.00 -2.05 4.15 0.24 -0.58 -4.99 118.33 112.39 1uqr n VAL 119 Ca 0.01 -0.49 -0.31 0.00 -2.04 0.00 0.00 64.34 61.50 1uqr n VAL 119 Cb 0.24 1.25 -0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1uqr n VAL 119 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uqr s ALA 120 N -1.04 3.10 0.17 2.33 0.00 -0.92 -4.85 121.76 120.55 1uqr s ALA 120 Ca 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 1uqr s ALA 120 Cb 0.10 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1uqr s ALA 120 CO 0.16 -0.54 1.54 -0.22 0.00 0.00 0.00 175.76 176.69 1uqr h LYS 121 N 0.07 0.88 -2.67 0.00 1.63 -1.09 -3.47 116.57 111.93 1uqr h LYS 121 Ca -0.45 -0.42 0.11 0.00 -0.85 0.00 0.00 60.65 59.04 1uqr h LYS 121 Cb 1.19 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.76 1uqr h LYS 121 CO 0.62 1.07 0.40 0.20 -3.45 0.00 0.00 179.45 178.28 1uqr s GLY 122 N -3.84 -0.01 0.01 5.01 0.00 -1.26 -5.07 107.32 102.16 1uqr s GLY 122 Ca -0.10 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.39 1uqr s GLY 122 CO 0.86 0.37 -0.03 0.14 0.00 0.00 0.00 173.10 174.44 1uqr s VAL 123 N -3.04 0.25 -0.14 1.40 1.01 -1.26 -1.50 120.40 117.12 1uqr s VAL 123 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1uqr s VAL 123 Cb -0.03 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 36.13 1uqr s VAL 123 CO 0.06 -0.05 -0.06 -0.63 0.00 0.00 0.00 175.10 174.42 1uqr s ILE 124 N -0.36 1.05 -0.02 2.22 1.01 -0.32 -4.98 121.20 119.80 1uqr s ILE 124 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1uqr s ILE 124 Cb -0.03 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.28 1uqr s ILE 124 CO -0.00 0.23 -0.06 0.00 0.00 0.00 0.00 174.94 175.11 1uqr n GLY 126 N 3.31 0.71 1.55 0.00 0.00 -0.74 -4.75 105.19 105.28 1uqr n GLY 126 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1uqr n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uqr n LEU 127 N 0.00 4.59 0.00 0.99 4.77 -1.20 -4.69 117.00 121.47 1uqr n LEU 127 Ca 0.00 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1uqr n LEU 127 Cb 0.00 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1uqr n LEU 127 CO 0.00 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1uqr n GLY 128 N 0.85 1.00 0.33 -0.72 0.00 -0.59 -2.95 105.19 103.11 1uqr n GLY 128 Ca 0.23 -0.67 0.16 0.00 0.00 0.00 0.00 46.02 45.74 1uqr n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 129 N -0.97 2.14 -0.20 4.61 0.00 -1.95 -1.27 119.26 121.63 1uqr h ALA 129 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1uqr h ALA 129 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1uqr h ALA 129 CO 0.00 -0.35 0.14 0.87 0.00 0.00 0.00 179.25 179.91 1uqr h LYS 130 N 0.00 0.00 -0.73 0.00 1.79 -1.96 -1.54 116.57 114.12 1uqr h LYS 130 Ca 0.13 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.69 1uqr h LYS 130 Cb 0.55 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.15 1uqr h LYS 130 CO -0.00 0.00 0.48 0.78 -1.08 0.00 0.00 179.45 179.63 1uqr h GLY 131 N 0.00 0.90 1.23 3.86 0.00 -1.28 -0.73 103.07 107.06 1uqr h GLY 131 Ca 0.09 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 1uqr h GLY 131 CO -0.00 0.16 -0.11 -0.97 0.00 0.00 0.00 176.54 175.62 1uqr h TYR 132 N 0.64 1.00 -0.60 5.60 0.05 -1.46 -1.00 116.97 121.20 1uqr h TYR 132 Ca 0.34 -0.19 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 1uqr h TYR 132 Cb 0.46 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1uqr h TYR 132 CO -0.00 0.95 0.22 -0.44 -1.05 0.00 0.00 178.16 177.84 1uqr h ASP 133 N 0.81 0.84 -0.61 3.88 3.32 -1.21 -1.01 116.42 122.45 1uqr h ASP 133 Ca 0.13 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1uqr h ASP 133 Cb 0.63 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1uqr h ASP 133 CO 0.04 0.80 -0.00 1.88 -1.72 0.00 0.00 179.24 180.24 1uqr h TYR 134 N 0.84 1.18 -0.86 4.55 0.05 -1.18 -1.52 116.97 120.04 1uqr h TYR 134 Ca 0.20 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1uqr h TYR 134 Cb 0.23 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.62 1uqr h TYR 134 CO 0.01 1.04 0.54 0.00 -1.05 0.00 0.00 178.16 178.70 1uqr h ALA 135 N 0.99 1.09 -0.42 3.88 0.00 -0.83 -0.13 119.26 123.85 1uqr h ALA 135 Ca 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1uqr h ALA 135 Cb 0.57 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1uqr h ALA 135 CO 0.03 0.53 0.01 1.25 0.00 0.00 0.00 179.25 181.07 1uqr h LEU 136 N 1.17 0.72 -0.72 0.00 5.85 -0.92 0.66 115.31 122.07 1uqr h LEU 136 Ca 0.31 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1uqr h LEU 136 Cb -0.09 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1uqr h LEU 136 CO -0.06 0.84 0.47 -0.78 -0.34 0.00 0.00 178.44 178.57 1uqr h ASP 137 N 0.58 0.79 -0.37 1.25 1.82 -0.76 -1.15 116.42 118.58 1uqr h ASP 137 Ca 0.12 -0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.67 1uqr h ASP 137 Cb 0.47 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1uqr h ASP 137 CO 0.02 0.56 -0.08 0.15 -1.61 0.00 0.00 179.24 178.28 1uqr h PHE 138 N 0.94 0.79 -0.41 0.28 3.57 -0.79 -1.83 116.94 119.49 1uqr h PHE 138 Ca 0.28 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1uqr h PHE 138 Cb -0.06 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 1uqr h PHE 138 CO -0.03 0.85 0.16 0.00 -2.23 0.00 0.00 178.31 177.06 1uqr h ALA 139 N 0.83 0.49 -0.67 2.41 0.00 -0.46 -0.77 119.26 121.09 1uqr h ALA 139 Ca 0.09 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1uqr h ALA 139 Cb 0.59 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1uqr h ALA 139 CO 0.04 -0.22 0.22 0.82 0.00 0.00 0.00 179.25 180.11 1uqr h ILE 140 N 0.34 1.25 -0.73 0.00 2.04 -1.15 -1.20 117.51 118.06 1uqr h ILE 140 Ca 0.18 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1uqr h ILE 140 Cb 0.15 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1uqr h ILE 140 CO -0.17 0.33 0.38 0.77 0.00 0.00 0.00 178.15 179.45 1uqr h SER 141 N 0.97 0.92 -0.26 1.72 4.64 -0.76 0.24 113.55 121.02 1uqr h SER 141 Ca 0.22 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 1uqr h SER 141 Cb 0.28 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1uqr h SER 141 CO -0.01 0.76 -0.35 -0.33 -0.87 0.00 0.00 176.83 176.03 1uqr h GLU 142 N 1.03 0.79 -0.41 4.77 4.39 -0.79 -2.91 114.58 121.44 1uqr h GLU 142 Ca 0.26 -0.38 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 1uqr h GLU 142 Cb 0.06 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1uqr h GLU 142 CO -0.04 1.01 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.52 1uqr h LEU 143 N 0.66 0.84 -2.14 1.33 3.38 -0.63 -2.48 115.31 116.26 1uqr h LEU 143 Ca 0.06 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1uqr h LEU 143 Cb 0.90 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1uqr h LEU 143 CO 0.08 1.04 -0.03 1.56 0.09 0.00 0.00 178.44 181.18 1uqr h GLN 144 N 0.71 0.00 0.00 1.13 4.20 -0.85 0.14 115.11 120.44 1uqr h GLN 144 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1uqr h GLN 144 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1uqr h GLN 144 CO 0.06 0.03 0.00 0.87 -0.67 0.00 0.00 178.83 179.12 1uqr h LYS 145 N 0.00 0.00 -0.02 1.46 1.57 -1.25 -3.51 116.57 114.82 1uqr h LYS 145 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uqr h LYS 145 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1uqr h LYS 145 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 179.45 177.99