#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3z s ASP 2 N 0.00 5.48 -0.17 6.12 -4.77 -1.11 -4.92 116.67 117.30 1s3z s ASP 2 Ca 0.00 -0.07 -0.03 0.00 -3.30 0.00 0.00 52.55 49.15 1s3z s ASP 2 Cb 0.00 -1.44 -0.02 0.00 -1.09 0.00 0.00 42.92 40.37 1s3z s ASP 2 CO 0.00 0.13 -0.06 -0.63 0.70 0.00 0.00 175.17 175.31 1s3z s ILE 3 N -1.52 3.51 0.06 2.11 -1.09 -1.26 -1.08 121.20 121.92 1s3z s ILE 3 Ca 0.30 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 1s3z s ILE 3 Cb -0.11 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.20 1s3z s ILE 3 CO 0.22 0.48 -0.12 0.00 -1.23 0.00 0.00 174.94 174.28 1s3z s ARG 4 N 0.73 0.76 0.26 2.79 1.70 -0.40 -4.95 118.95 119.83 1s3z s ARG 4 Ca -0.03 -0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 54.09 1s3z s ARG 4 Cb -0.15 -0.72 -0.09 0.00 -0.57 0.00 0.00 34.95 33.42 1s3z s ARG 4 CO 0.02 0.16 1.16 -1.14 -1.08 0.00 0.00 175.30 174.42 1s3z s GLN 5 N -1.53 4.56 0.35 3.89 0.74 -1.26 0.05 119.66 126.46 1s3z s GLN 5 Ca -0.03 1.88 -0.28 0.00 0.05 0.00 0.00 55.36 56.98 1s3z s GLN 5 Cb -0.09 -3.19 -0.11 0.00 1.10 0.00 0.00 33.01 30.72 1s3z s GLN 5 CO 0.02 0.07 1.40 1.41 -0.55 0.00 0.00 175.29 177.63 1s3z s MET 6 N -1.13 4.23 0.27 1.67 -2.45 0.14 -4.83 119.30 117.20 1s3z s MET 6 Ca 0.48 2.40 0.03 0.00 -1.25 0.00 0.00 55.69 57.34 1s3z s MET 6 Cb -0.33 -3.02 -0.04 0.00 1.25 0.00 0.00 34.83 32.69 1s3z s MET 6 CO 0.41 -0.36 0.18 0.54 1.05 0.00 0.00 175.02 176.84 1s3z s ASN 7 N -0.32 1.00 0.43 1.11 2.20 -1.26 -4.83 114.94 113.28 1s3z s ASN 7 Ca 0.51 -1.55 0.28 0.00 -0.94 0.00 0.00 52.86 51.16 1s3z s ASN 7 Cb -0.43 0.43 1.36 0.00 -2.00 0.00 0.00 41.25 40.61 1s3z s ASN 7 CO 0.58 -0.92 1.67 0.07 -2.94 0.00 0.00 177.10 175.56 1s3z h LYS 8 N 2.36 0.15 0.00 3.55 2.10 -1.97 0.13 116.57 122.90 1s3z h LYS 8 Ca -0.32 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.28 1s3z h LYS 8 Cb 1.24 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1s3z h LYS 8 CO 0.48 0.10 -0.20 1.79 -2.00 0.00 0.00 179.45 179.62 1s3z h THR 9 N 0.16 0.65 -0.00 0.07 1.35 -2.00 -2.95 112.91 110.18 1s3z h THR 9 Ca 0.76 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1s3z h THR 9 Cb 2.32 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 1s3z h THR 9 CO -0.36 0.20 -0.44 1.41 -0.25 0.00 0.00 175.52 176.07 1s3z n HIS 10 N -3.59 0.00 -0.12 4.73 8.25 0.47 -4.57 115.22 120.38 1s3z n HIS 10 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.41 1s3z n HIS 10 Cb 0.34 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.29 1s3z n HIS 10 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s3z h LEU 11 N 0.48 -0.09 -0.51 2.41 3.38 -1.53 -0.74 115.31 118.71 1s3z h LEU 11 Ca 0.00 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1s3z h LEU 11 Cb 0.51 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1s3z h LEU 11 CO 0.00 -0.01 0.33 -0.08 0.09 0.00 0.00 178.44 178.77 1s3z h GLU 12 N 0.15 0.66 -0.11 1.13 4.81 -1.82 0.85 114.58 120.25 1s3z h GLU 12 Ca 0.20 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.23 1s3z h GLU 12 Cb 0.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1s3z h GLU 12 CO -0.30 0.44 -0.63 0.45 -0.73 0.00 0.00 179.01 178.23 1s3z h HIS 13 N 0.68 0.54 -0.11 0.92 3.86 -1.83 -2.46 115.15 116.75 1s3z h HIS 13 Ca 0.19 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1s3z h HIS 13 Cb -0.07 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1s3z h HIS 13 CO -0.04 0.93 0.07 2.35 0.86 0.00 0.00 177.93 182.09 1s3z h TRP 14 N 0.30 0.14 -0.86 2.45 7.01 -0.87 -1.53 115.95 122.59 1s3z h TRP 14 Ca -0.01 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.08 1s3z h TRP 14 Cb 1.17 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 28.13 1s3z h TRP 14 CO 0.04 0.12 0.56 0.00 -2.79 0.00 0.00 178.44 176.37 1s3z h ARG 15 N 0.12 0.84 -0.61 2.65 3.08 -0.73 0.30 114.38 120.02 1s3z h ARG 15 Ca 0.04 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1s3z h ARG 15 Cb 0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1s3z h ARG 15 CO -0.01 0.56 0.03 0.78 -1.07 0.00 0.00 179.97 180.26 1s3z h GLY 16 N 0.87 1.14 1.02 0.04 0.00 -0.83 -0.89 103.07 104.41 1s3z h GLY 16 Ca 0.39 -0.81 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 1s3z h GLY 16 CO -0.16 0.75 -0.33 1.41 0.00 0.00 0.00 176.54 178.22 1s3z h LEU 17 N 0.96 0.82 -1.37 3.11 3.38 -0.33 -3.20 115.31 118.68 1s3z h LEU 17 Ca 0.18 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1s3z h LEU 17 Cb 0.52 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1s3z h LEU 17 CO 0.02 1.13 0.22 -0.09 0.09 0.00 0.00 178.44 179.81 1s3z h ARG 18 N 0.53 0.64 0.00 1.13 2.43 -0.30 -0.82 114.38 117.99 1s3z h ARG 18 Ca 0.05 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1s3z h ARG 18 Cb 0.91 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1s3z h ARG 18 CO 0.08 0.51 -0.24 0.87 -1.51 0.00 0.00 179.97 179.68 1s3z h LYS 19 N 0.65 0.00 0.12 0.20 1.57 -1.20 -0.10 116.57 117.80 1s3z h LYS 19 Ca 0.16 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.67 1s3z h LYS 19 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1s3z h LYS 19 CO -0.02 0.24 -1.21 1.96 -0.57 0.00 0.00 179.45 179.85 1s3z h GLN 20 N 0.00 0.34 -0.25 3.15 4.20 -1.18 -2.56 115.11 118.81 1s3z h GLN 20 Ca -0.00 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.15 1s3z h GLN 20 Cb 0.55 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1s3z h GLN 20 CO 0.03 1.23 0.03 1.25 -0.67 0.00 0.00 178.83 180.69 1s3z h LEU 21 N 0.12 0.41 -6.77 1.46 5.85 -0.92 -3.38 115.31 112.08 1s3z h LEU 21 Ca -0.14 -0.28 -0.61 0.00 0.84 0.00 0.00 57.88 57.69 1s3z h LEU 21 Cb 1.91 -0.11 -0.41 0.00 0.37 0.00 0.00 40.66 42.42 1s3z h LEU 21 CO 0.20 0.59 -0.70 0.79 -0.34 0.00 0.00 178.44 178.99 1s3z n TRP 22 N -4.67 2.13 0.28 1.25 8.01 -0.09 -4.95 117.44 119.40 1s3z n TRP 22 Ca -0.03 -4.02 0.11 0.00 -1.31 0.00 0.00 57.50 52.25 1s3z n TRP 22 Cb 0.22 -0.39 0.77 0.00 -2.01 0.00 0.00 31.31 29.90 1s3z n TRP 22 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1s3z h PRO 23 N 5.25 0.00 0.00 -0.99 0.11 -1.65 -2.51 132.00 132.21 1s3z h PRO 23 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1s3z h PRO 23 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1s3z h PRO 23 CO 0.64 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.21 1s3z h GLY 24 N 0.00 0.00 -4.40 -0.55 0.00 -1.92 -3.45 103.07 92.75 1s3z h GLY 24 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.81 1s3z h GLY 24 CO -0.00 0.00 0.74 -1.58 0.00 0.00 0.00 176.54 175.70 1s3z s HIS 25 N -3.21 3.16 0.30 5.60 5.04 -0.95 -4.96 115.29 120.28 1s3z s HIS 25 Ca 0.08 0.99 -0.30 0.00 -1.54 0.00 0.00 55.06 54.29 1s3z s HIS 25 Cb 0.09 -3.73 -0.12 0.00 0.04 0.00 0.00 32.58 28.86 1s3z s HIS 25 CO 0.59 -2.48 1.52 -2.30 -2.34 0.00 0.00 174.74 169.74 1s3z n PRO 26 N 3.19 2.54 0.26 2.88 -0.02 -1.26 -4.85 135.00 137.73 1s3z n PRO 26 Ca 0.09 0.90 0.12 0.00 -2.02 0.00 0.00 63.50 62.59 1s3z n PRO 26 Cb 0.41 -2.64 0.76 0.00 -0.02 0.00 0.00 33.50 32.01 1s3z n PRO 26 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1s3z h ASP 27 N 4.22 0.00 -0.93 2.55 5.19 -1.94 -0.10 116.42 125.41 1s3z h ASP 27 Ca -0.47 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1s3z h ASP 27 Cb 1.24 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.70 1s3z h ASP 27 CO 0.75 0.00 0.62 -0.78 -3.12 0.00 0.00 179.24 176.71 1s3z h ASP 28 N 0.00 1.07 0.26 6.45 1.82 -2.02 -2.73 116.42 121.28 1s3z h ASP 28 Ca 0.02 -0.03 -0.13 0.00 -0.39 0.00 0.00 57.03 56.50 1s3z h ASP 28 Cb 0.08 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 1s3z h ASP 28 CO -0.00 0.78 -0.51 0.00 -1.61 0.00 0.00 179.24 177.89 1s3z h ALA 29 N 1.42 0.94 -0.79 -0.78 0.00 -1.37 -2.94 119.26 115.73 1s3z h ALA 29 Ca 0.34 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1s3z h ALA 29 Cb -0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1s3z h ALA 29 CO -0.07 0.67 0.53 0.45 0.00 0.00 0.00 179.25 180.82 1s3z h HIS 30 N 0.22 0.99 0.85 0.00 3.86 -1.40 0.41 115.15 120.09 1s3z h HIS 30 Ca 0.01 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1s3z h HIS 30 Cb 0.98 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 29.12 1s3z h HIS 30 CO 0.02 0.62 -0.41 -0.07 0.86 0.00 0.00 177.93 178.95 1s3z h LEU 31 N 1.07 -0.97 -0.85 2.43 3.38 -1.52 -1.48 115.31 117.37 1s3z h LEU 31 Ca 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1s3z h LEU 31 Cb -0.11 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1s3z h LEU 31 CO -0.07 -0.69 0.50 0.00 0.09 0.00 0.00 178.44 178.28 1s3z h ALA 32 N -1.00 1.08 -0.76 1.53 0.00 -1.28 -2.86 119.26 115.97 1s3z h ALA 32 Ca -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1s3z h ALA 32 Cb 0.88 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1s3z h ALA 32 CO 0.19 0.55 0.48 -0.44 0.00 0.00 0.00 179.25 180.04 1s3z h ASP 33 N 1.17 0.89 0.06 0.00 3.32 -0.07 -0.33 116.42 121.46 1s3z h ASP 33 Ca 0.30 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 1s3z h ASP 33 Cb -0.03 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1s3z h ASP 33 CO -0.06 0.67 -0.04 1.23 -1.72 0.00 0.00 179.24 179.33 1s3z h GLY 34 N 1.04 -0.09 0.53 2.75 0.00 -1.06 0.11 103.07 106.34 1s3z h GLY 34 Ca 0.28 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.73 1s3z h GLY 34 CO -0.06 -0.04 0.41 -2.09 0.00 0.00 0.00 176.54 174.77 1s3z h GLU 35 N -0.09 0.68 -0.44 4.80 4.81 -1.28 -2.18 114.58 120.87 1s3z h GLU 35 Ca -0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1s3z h GLU 35 Cb 0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1s3z h GLU 35 CO 0.01 0.45 0.14 1.49 -0.73 0.00 0.00 179.01 180.37 1s3z h GLU 36 N 0.71 0.69 -0.70 1.92 4.81 -0.53 -0.84 114.58 120.63 1s3z h GLU 36 Ca 0.36 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1s3z h GLU 36 Cb 0.33 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1s3z h GLU 36 CO -0.24 0.66 0.46 0.82 -0.73 0.00 0.00 179.01 179.98 1s3z h ILE 37 N 0.58 1.17 -0.05 2.32 2.04 -0.44 -1.26 117.51 121.88 1s3z h ILE 37 Ca 0.14 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1s3z h ILE 37 Cb 0.26 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1s3z h ILE 37 CO -0.01 0.17 -0.56 -0.07 0.00 0.00 0.00 178.15 177.69 1s3z h LEU 38 N 0.94 0.16 -0.25 1.44 4.07 -1.18 -3.07 115.31 117.41 1s3z h LEU 38 Ca 0.26 -0.08 -0.19 0.00 0.08 0.00 0.00 57.88 57.94 1s3z h LEU 38 Cb -0.10 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 1s3z h LEU 38 CO -0.06 0.68 -0.89 -0.61 -1.08 0.00 0.00 178.44 176.48 1s3z h GLN 39 N 0.11 0.07 -5.98 1.13 5.75 -0.77 -3.46 115.11 111.97 1s3z h GLN 39 Ca -0.00 -0.09 -0.58 0.00 -0.15 0.00 0.00 58.65 57.83 1s3z h GLN 39 Cb 1.02 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.53 1s3z h GLN 39 CO 0.08 0.91 -0.10 0.00 -2.65 0.00 0.00 178.83 177.07 1s3z s ALA 40 N -3.06 3.54 0.34 3.38 0.00 -0.51 -4.97 121.76 120.48 1s3z s ALA 40 Ca -0.01 -0.09 0.16 0.00 0.00 0.00 0.00 51.96 52.02 1s3z s ALA 40 Cb 0.10 -2.62 0.82 0.00 0.00 0.00 0.00 23.12 21.42 1s3z s ALA 40 CO 0.81 0.21 1.84 0.22 0.00 0.00 0.00 175.76 178.85 1s3z h ASP 41 N 5.63 0.00 -0.37 0.00 3.58 -1.90 -2.95 116.42 120.41 1s3z h ASP 41 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1s3z h ASP 41 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1s3z h ASP 41 CO 0.69 0.34 0.00 0.00 -2.88 0.00 0.00 179.24 177.39 1s3z n HIS 42 N -3.92 0.49 -4.19 0.28 1.44 -1.26 -4.86 115.22 103.20 1s3z n HIS 42 Ca -0.02 -0.25 -0.19 0.00 -2.01 0.00 0.00 57.72 55.26 1s3z n HIS 42 Cb 0.40 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.39 1s3z n HIS 42 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1s3z s LEU 43 N -1.04 2.28 -0.24 2.39 1.02 -1.11 -0.36 118.68 121.62 1s3z s LEU 43 Ca 0.26 -0.63 -0.26 0.00 0.02 0.00 0.00 54.13 53.52 1s3z s LEU 43 Cb 0.14 -0.57 0.09 0.00 0.02 0.00 0.00 46.19 45.86 1s3z s LEU 43 CO 0.18 -0.06 0.82 0.00 0.02 0.00 0.00 176.35 177.31 1s3z s ALA 44 N -1.27 -1.84 0.20 4.21 0.00 -1.01 -4.83 121.76 117.22 1s3z s ALA 44 Ca -0.01 1.86 0.09 0.00 0.00 0.00 0.00 51.96 53.91 1s3z s ALA 44 Cb -0.10 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1s3z s ALA 44 CO 0.03 -0.31 -0.18 -1.12 0.00 0.00 0.00 175.76 174.17 1s3z s SER 45 N 0.03 2.86 -0.00 0.00 0.01 -1.26 -0.58 113.70 114.76 1s3z s SER 45 Ca -0.01 -0.93 0.04 0.00 1.31 0.00 0.00 55.95 56.36 1s3z s SER 45 Cb -0.04 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 1s3z s SER 45 CO 0.00 -0.05 -0.14 -0.36 0.41 0.00 0.00 173.24 173.11 1s3z s PHE 46 N -2.35 1.23 -0.07 2.43 0.40 0.31 -0.69 117.98 119.24 1s3z s PHE 46 Ca 0.20 -0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.33 1s3z s PHE 46 Cb -0.04 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.70 1s3z s PHE 46 CO 0.08 -0.01 -0.22 0.42 0.70 0.00 0.00 175.22 176.19 1s3z s ILE 47 N -0.43 2.31 -0.24 0.64 1.09 0.11 -1.48 121.20 123.20 1s3z s ILE 47 Ca 0.05 -0.97 -0.09 0.00 -1.10 0.00 0.00 60.65 58.54 1s3z s ILE 47 Cb -0.06 -1.87 -0.04 0.00 -1.06 0.00 0.00 42.46 39.43 1s3z s ILE 47 CO -0.00 0.57 0.12 0.00 -0.10 0.00 0.00 174.94 175.53 1s3z s ALA 48 N -0.14 3.42 -0.05 9.38 0.00 0.27 -1.28 121.76 133.37 1s3z s ALA 48 Ca -0.04 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1s3z s ALA 48 Cb -0.14 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1s3z s ALA 48 CO 0.04 -0.31 -0.10 -1.64 0.00 0.00 0.00 175.76 173.75 1s3z s MET 49 N 1.30 2.61 -0.17 0.00 1.00 -0.24 -0.80 119.30 123.00 1s3z s MET 49 Ca 0.06 -0.64 0.01 0.00 0.00 0.00 0.00 55.69 55.12 1s3z s MET 49 Cb -0.14 -2.49 0.03 0.00 0.00 0.00 0.00 34.83 32.22 1s3z s MET 49 CO 0.05 0.64 -0.12 0.00 0.00 0.00 0.00 175.02 175.59 1s3z s ALA 50 N -0.82 1.91 -1.43 3.03 0.00 0.11 -2.77 121.76 121.79 1s3z s ALA 50 Ca 0.13 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 1s3z s ALA 50 Cb -0.11 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 21.89 1s3z s ALA 50 CO 0.02 -0.58 0.54 -3.47 0.00 0.00 0.00 175.76 172.27 1s3z n ASP 51 N 4.74 -5.08 0.00 0.00 2.03 -1.26 -1.06 116.55 115.91 1s3z n ASP 51 Ca -0.16 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1s3z n ASP 51 Cb 0.48 -4.14 0.00 0.00 -0.72 0.00 0.00 41.12 36.74 1s3z n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s3z n GLY 52 N -1.36 0.81 3.50 0.27 0.00 -1.26 -5.02 105.19 102.13 1s3z n GLY 52 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1s3z n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3z s VAL 53 N -3.16 3.57 -0.10 1.61 1.01 -0.23 -5.06 120.40 118.05 1s3z s VAL 53 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1s3z s VAL 53 Cb 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1s3z s VAL 53 CO 0.00 0.55 1.28 0.00 0.00 0.00 0.00 175.10 176.93 1s3z s ALA 54 N -0.20 3.59 0.00 5.51 0.00 -1.26 0.06 121.76 129.45 1s3z s ALA 54 Ca 0.02 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1s3z s ALA 54 Cb -0.13 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1s3z s ALA 54 CO 0.03 -1.00 0.39 0.44 0.00 0.00 0.00 175.76 175.62 1s3z n ILE 55 N 5.00 0.00 -3.49 0.00 -0.00 0.02 -4.94 119.36 115.94 1s3z n ILE 55 Ca 0.13 -0.41 -0.11 0.00 -0.00 0.00 0.00 62.75 62.35 1s3z n ILE 55 Cb 0.45 1.16 -0.03 0.00 -0.00 0.00 0.00 39.64 41.22 1s3z n ILE 55 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1s3z s GLY 56 N -0.05 -0.51 0.15 3.28 0.00 -1.13 -0.67 107.32 108.40 1s3z s GLY 56 Ca 0.00 1.03 -0.19 0.00 0.00 0.00 0.00 44.72 45.56 1s3z s GLY 56 CO 0.00 0.47 0.50 -0.11 0.00 0.00 0.00 173.10 173.96 1s3z s PHE 57 N -2.74 -0.34 -0.02 1.90 -0.71 0.20 -0.56 117.98 115.70 1s3z s PHE 57 Ca 0.00 0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.96 1s3z s PHE 57 Cb -0.01 0.40 0.02 0.00 -1.21 0.00 0.00 43.02 42.22 1s3z s PHE 57 CO -0.06 -0.78 0.01 0.00 -1.34 0.00 0.00 175.22 173.05 1s3z s ALA 58 N -3.79 0.17 -0.16 1.99 0.00 -0.55 -1.25 121.76 118.17 1s3z s ALA 58 Ca 0.02 0.17 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 1s3z s ALA 58 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1s3z s ALA 58 CO -0.12 -0.06 0.12 -0.51 0.00 0.00 0.00 175.76 175.19 1s3z s ASP 59 N 0.78 6.18 0.11 0.00 1.01 -0.01 -0.53 116.67 124.20 1s3z s ASP 59 Ca -0.07 0.30 -0.00 0.00 0.71 0.00 0.00 52.55 53.49 1s3z s ASP 59 Cb -0.10 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 1s3z s ASP 59 CO -0.02 0.27 0.01 0.00 0.21 0.00 0.00 175.17 175.65 1s3z s ALA 60 N -0.21 0.82 0.14 5.23 0.00 0.26 -0.31 121.76 127.68 1s3z s ALA 60 Ca 0.10 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 1s3z s ALA 60 Cb -0.12 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 1s3z s ALA 60 CO 0.01 -0.41 0.14 -1.54 0.00 0.00 0.00 175.76 173.96 1s3z s SER 61 N -3.02 0.21 -0.31 0.00 1.04 -0.52 -2.41 113.70 108.69 1s3z s SER 61 Ca 0.18 -1.04 -0.11 0.00 0.48 0.00 0.00 55.95 55.46 1s3z s SER 61 Cb 0.07 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1s3z s SER 61 CO -0.02 -0.78 0.19 -0.63 0.98 0.00 0.00 173.24 172.98 1s3z s ILE 62 N -4.00 5.01 -0.16 -1.02 -1.09 0.51 -0.57 121.20 119.88 1s3z s ILE 62 Ca 0.19 -0.19 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 1s3z s ILE 62 Cb 0.06 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.38 1s3z s ILE 62 CO -0.00 0.09 0.16 -0.13 -1.23 0.00 0.00 174.94 173.83 1s3z s ARG 63 N 1.69 3.95 0.00 2.79 0.52 0.10 -4.92 118.95 123.09 1s3z s ARG 63 Ca 0.06 -0.13 0.14 0.00 -0.52 0.00 0.00 55.73 55.27 1s3z s ARG 63 Cb -0.17 -3.34 -0.06 0.00 0.52 0.00 0.00 34.95 31.90 1s3z s ARG 63 CO 0.09 0.46 0.69 0.72 0.02 0.00 0.00 175.30 177.28 1s3z n HIS 64 N 2.98 0.00 -2.91 -0.53 8.25 -1.26 -1.52 115.22 120.24 1s3z n HIS 64 Ca -0.17 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.21 1s3z n HIS 64 Cb 0.53 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.67 1s3z n HIS 64 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1s3z n ASP 65 N -0.60 0.85 -4.76 0.41 8.00 -1.26 -4.96 116.55 114.22 1s3z n ASP 65 Ca 0.05 -1.63 -0.41 0.00 0.71 0.00 0.00 54.79 53.51 1s3z n ASP 65 Cb 0.26 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 1s3z n ASP 65 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1s3z s TYR 66 N -0.66 2.94 -0.15 1.24 5.04 -1.26 -4.95 117.35 119.56 1s3z s TYR 66 Ca 0.27 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 1s3z s TYR 66 Cb -0.02 -3.80 0.03 0.00 0.35 0.00 0.00 41.96 38.52 1s3z s TYR 66 CO 0.17 -2.38 -0.11 0.08 -1.34 0.00 0.00 175.55 171.97 1s3z s VAL 67 N -0.74 1.35 0.12 3.14 1.01 -1.26 -5.10 120.40 118.92 1s3z s VAL 67 Ca 0.53 -0.57 -0.35 0.00 0.00 0.00 0.00 61.98 61.60 1s3z s VAL 67 Cb -0.42 -1.34 -0.16 0.00 0.00 0.00 0.00 36.38 34.45 1s3z s VAL 67 CO 0.52 0.36 1.28 0.59 0.00 0.00 0.00 175.10 177.84 1s3z n ASN 68 N 4.83 1.59 0.00 3.32 4.13 -1.26 -1.67 115.26 126.20 1s3z n ASN 68 Ca -0.15 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.24 1s3z n ASN 68 Cb 0.49 -1.21 0.00 0.00 -1.54 0.00 0.00 39.78 37.52 1s3z n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s3z n GLY 69 N 2.35 2.49 3.90 7.41 0.00 -1.26 -4.86 105.19 115.23 1s3z n GLY 69 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1s3z n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3z n ASP 71 N 0.74 2.21 -4.30 0.00 5.68 -1.26 -4.80 116.55 114.82 1s3z n ASP 71 Ca -0.09 -1.80 -0.19 0.00 -0.50 0.00 0.00 54.79 52.22 1s3z n ASP 71 Cb 0.52 -0.09 -0.10 0.00 -1.14 0.00 0.00 41.12 40.31 1s3z n ASP 71 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s3z s SER 72 N -0.86 1.66 -0.10 -1.12 1.04 -1.26 -5.16 113.70 107.89 1s3z s SER 72 Ca 0.10 -1.42 -0.13 0.00 0.48 0.00 0.00 55.95 54.98 1s3z s SER 72 Cb 0.06 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.36 1s3z s SER 72 CO 0.08 -0.73 0.35 -0.55 0.98 0.00 0.00 173.24 173.37 1s3z s SER 73 N -3.39 -0.33 0.90 7.02 0.15 -1.26 -4.56 113.70 112.23 1s3z s SER 73 Ca 0.36 0.56 -0.12 0.00 0.70 0.00 0.00 55.95 57.46 1s3z s SER 73 Cb 0.07 0.63 0.13 0.00 -1.71 0.00 0.00 66.02 65.14 1s3z s SER 73 CO 0.15 -0.21 1.10 -2.16 1.20 0.00 0.00 173.24 173.31 1s3z s PRO 74 N -0.21 1.25 -0.02 5.44 0.04 -1.26 -4.97 135.00 135.26 1s3z s PRO 74 Ca -0.04 0.67 0.06 0.00 0.04 0.00 0.00 61.00 61.73 1s3z s PRO 74 Cb -0.03 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1s3z s PRO 74 CO 0.02 -2.21 -0.19 0.08 0.04 0.00 0.00 177.00 174.73 1s3z s VAL 75 N -3.02 1.53 -0.14 -0.36 1.01 -0.57 -3.95 120.40 114.90 1s3z s VAL 75 Ca 0.63 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1s3z s VAL 75 Cb -0.17 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1s3z s VAL 75 CO 0.56 0.43 0.66 -0.69 0.00 0.00 0.00 175.10 176.07 1s3z s VAL 76 N -0.42 5.03 -0.14 2.92 1.01 -0.39 0.02 120.40 128.43 1s3z s VAL 76 Ca 0.07 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1s3z s VAL 76 Cb -0.08 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1s3z s VAL 76 CO -0.00 0.17 -0.14 0.12 0.00 0.00 0.00 175.10 175.25 1s3z s PHE 77 N 1.40 2.79 -0.69 5.22 2.19 0.26 -0.25 117.98 128.90 1s3z s PHE 77 Ca 0.33 -0.80 -0.27 0.00 0.33 0.00 0.00 56.93 56.52 1s3z s PHE 77 Cb -0.16 -1.86 0.03 0.00 -1.31 0.00 0.00 43.02 39.72 1s3z s PHE 77 CO 0.13 -0.32 1.25 -1.17 1.83 0.00 0.00 175.22 176.94 1s3z s LEU 78 N 0.54 3.27 0.42 6.12 2.96 0.20 -1.43 118.68 130.75 1s3z s LEU 78 Ca -0.09 -0.31 0.23 0.00 -0.22 0.00 0.00 54.13 53.74 1s3z s LEU 78 Cb -0.16 -2.72 0.44 0.00 0.50 0.00 0.00 46.19 44.25 1s3z s LEU 78 CO 0.04 -1.73 1.63 -0.33 -1.32 0.00 0.00 176.35 174.64 1s3z h GLU 79 N 9.88 0.00 0.00 1.98 4.39 -0.99 -3.40 114.58 126.44 1s3z h GLU 79 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1s3z h GLU 79 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1s3z h GLU 79 CO 1.25 0.11 0.00 0.41 -1.16 0.00 0.00 179.01 179.63 1s3z n GLY 80 N 0.94 1.34 3.27 -3.84 0.00 -1.14 -4.95 105.19 100.82 1s3z n GLY 80 Ca 0.03 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1s3z n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s3z s ILE 81 N -2.00 0.02 -0.19 -0.61 2.07 -1.26 -0.83 121.20 118.39 1s3z s ILE 81 Ca 0.00 -0.18 -0.16 0.00 -1.41 0.00 0.00 60.65 58.89 1s3z s ILE 81 Cb 0.00 -0.59 0.05 0.00 0.13 0.00 0.00 42.46 42.05 1s3z s ILE 81 CO 0.00 -0.10 0.51 0.12 -1.91 0.00 0.00 174.94 173.56 1s3z s PHE 82 N -0.45 -0.60 -0.04 3.50 2.19 -0.38 -5.01 117.98 117.19 1s3z s PHE 82 Ca -0.06 1.41 0.03 0.00 0.33 0.00 0.00 56.93 58.64 1s3z s PHE 82 Cb -0.04 0.23 0.00 0.00 -1.31 0.00 0.00 43.02 41.91 1s3z s PHE 82 CO 0.02 -0.30 -0.12 0.08 1.83 0.00 0.00 175.22 176.74 1s3z s VAL 83 N 0.50 1.02 0.37 3.12 1.01 -1.26 -0.63 120.40 124.53 1s3z s VAL 83 Ca -0.02 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1s3z s VAL 83 Cb -0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 36.38 35.32 1s3z s VAL 83 CO -0.02 0.31 1.42 0.18 0.00 0.00 0.00 175.10 176.99 1s3z n LEU 84 N 3.34 4.41 -0.29 3.92 4.77 0.16 -4.80 117.00 128.51 1s3z n LEU 84 Ca -0.19 1.22 0.10 0.00 -0.03 0.00 0.00 56.01 57.11 1s3z n LEU 84 Cb 0.53 -1.58 0.24 0.00 -2.33 0.00 0.00 43.42 40.29 1s3z n LEU 84 CO 0.25 -0.05 0.90 -0.65 -1.33 0.00 0.00 177.39 176.51 1s3z h PRO 85 N 2.80 0.17 -0.16 3.23 0.11 -1.99 0.11 132.00 136.28 1s3z h PRO 85 Ca -0.49 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1s3z h PRO 85 Cb 1.26 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1s3z h PRO 85 CO 0.63 0.11 0.20 0.77 -0.21 0.00 0.00 178.00 179.50 1s3z h SER 86 N 0.18 0.00 -0.54 -2.05 0.02 -1.98 -1.86 113.55 107.32 1s3z h SER 86 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1s3z h SER 86 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1s3z h SER 86 CO -0.66 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 175.52 1s3z n PHE 87 N -3.70 0.72 -1.56 3.45 3.01 0.35 -5.02 117.46 114.70 1s3z n PHE 87 Ca 0.01 -0.50 -0.32 0.00 1.01 0.00 0.00 57.45 57.65 1s3z n PHE 87 Cb 0.31 -0.01 0.06 0.00 -0.01 0.00 0.00 39.48 39.83 1s3z n PHE 87 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1s3z s ARG 88 N -1.00 2.65 -1.36 -1.08 0.52 -0.70 -3.95 118.95 114.03 1s3z s ARG 88 Ca 0.36 1.22 -0.09 0.00 -0.52 0.00 0.00 55.73 56.70 1s3z s ARG 88 Cb 0.19 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.72 1s3z s ARG 88 CO 0.24 -1.34 1.19 1.04 0.02 0.00 0.00 175.30 176.45 1s3z n GLN 89 N -2.93 -7.98 0.00 3.54 6.02 -1.26 -4.87 117.38 109.90 1s3z n GLN 89 Ca 0.09 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 1s3z n GLN 89 Cb 0.53 -5.89 0.00 0.00 1.02 0.00 0.00 30.24 25.90 1s3z n GLN 89 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s3z n ARG 90 N -5.01 1.20 -0.66 -1.09 1.74 -1.25 -4.99 116.66 106.59 1s3z n ARG 90 Ca 0.01 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 1s3z n ARG 90 Cb 0.56 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 1s3z n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s3z n GLY 91 N -0.21 0.72 0.09 -0.13 0.00 -1.26 -4.96 105.19 99.44 1s3z n GLY 91 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1s3z n GLY 91 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s3z h VAL 92 N 0.00 0.96 -0.70 1.61 2.07 -1.94 -0.39 116.25 117.86 1s3z h VAL 92 Ca 0.00 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1s3z h VAL 92 Cb 0.00 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1s3z h VAL 92 CO 0.00 0.06 0.44 0.00 0.02 0.00 0.00 177.57 178.08 1s3z h ALA 93 N 0.64 0.91 -0.67 1.67 0.00 -1.93 0.74 119.26 120.62 1s3z h ALA 93 Ca -0.01 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1s3z h ALA 93 Cb 0.20 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1s3z h ALA 93 CO 0.02 0.21 0.31 -0.22 0.00 0.00 0.00 179.25 179.57 1s3z h LYS 94 N 0.85 0.52 -0.38 0.00 3.64 -1.91 0.11 116.57 119.39 1s3z h LYS 94 Ca 0.28 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1s3z h LYS 94 Cb 0.02 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1s3z h LYS 94 CO -0.11 0.34 -0.17 0.37 -2.27 0.00 0.00 179.45 177.61 1s3z h GLN 95 N 0.53 0.72 -0.35 1.90 5.75 0.71 -1.37 115.11 123.00 1s3z h GLN 95 Ca 0.33 -0.26 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1s3z h GLN 95 Cb 0.36 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1s3z h GLN 95 CO -0.28 0.85 -0.00 -0.07 -2.65 0.00 0.00 178.83 176.68 1s3z h LEU 96 N 0.64 0.60 -1.05 -2.39 3.38 0.10 -2.07 115.31 114.52 1s3z h LEU 96 Ca 0.10 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1s3z h LEU 96 Cb 0.65 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1s3z h LEU 96 CO 0.05 0.77 -0.14 0.40 0.09 0.00 0.00 178.44 179.60 1s3z h ILE 97 N 0.42 1.24 -0.58 1.22 2.04 -0.67 0.16 117.51 121.34 1s3z h ILE 97 Ca 0.10 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1s3z h ILE 97 Cb 0.46 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1s3z h ILE 97 CO 0.02 0.35 0.30 0.00 0.00 0.00 0.00 178.15 178.81 1s3z h ALA 98 N 1.38 0.75 -0.45 1.87 0.00 -1.04 0.13 119.26 121.90 1s3z h ALA 98 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1s3z h ALA 98 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1s3z h ALA 98 CO 0.03 0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.68 1s3z h ALA 99 N 1.13 0.59 -0.40 0.00 0.00 -0.68 -1.24 119.26 118.66 1s3z h ALA 99 Ca 0.20 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1s3z h ALA 99 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1s3z h ALA 99 CO -0.03 0.29 0.19 0.28 0.00 0.00 0.00 179.25 179.98 1s3z h VAL 100 N 0.59 0.97 -0.90 0.00 2.07 -0.46 -1.89 116.25 116.63 1s3z h VAL 100 Ca 0.14 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1s3z h VAL 100 Cb 0.34 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1s3z h VAL 100 CO 0.00 0.07 0.58 -0.61 0.02 0.00 0.00 177.57 177.64 1s3z h GLN 101 N 0.40 0.96 -0.28 1.57 4.15 -0.41 -0.31 115.11 121.19 1s3z h GLN 101 Ca 0.17 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.40 1s3z h GLN 101 Cb 0.08 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1s3z h GLN 101 CO -0.12 0.63 -0.36 0.00 -1.93 0.00 0.00 178.83 177.05 1s3z h ARG 102 N 0.99 0.73 -0.50 1.69 3.08 -0.89 -1.70 114.38 117.77 1s3z h ARG 102 Ca 0.40 -0.42 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1s3z h ARG 102 Cb 0.26 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1s3z h ARG 102 CO -0.15 1.04 0.26 2.35 -1.07 0.00 0.00 179.97 182.39 1s3z h TRP 103 N 0.47 0.48 -0.45 3.04 7.01 -0.77 -0.59 115.95 125.15 1s3z h TRP 103 Ca 0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1s3z h TRP 103 Cb 0.94 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 1s3z h TRP 103 CO 0.08 0.25 0.22 0.78 -2.79 0.00 0.00 178.44 176.97 1s3z h GLY 104 N 0.51 0.68 1.01 2.65 0.00 -0.93 -1.91 103.07 105.09 1s3z h GLY 104 Ca 0.21 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1s3z h GLY 104 CO -0.14 0.32 0.53 -0.84 0.00 0.00 0.00 176.54 176.41 1s3z h THR 105 N 0.58 1.24 0.00 4.70 2.02 -1.10 -0.57 112.91 119.78 1s3z h THR 105 Ca 0.15 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1s3z h THR 105 Cb 0.11 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1s3z h THR 105 CO -0.02 0.25 0.00 0.78 0.37 0.00 0.00 175.52 176.90 1s3z h ASN 106 N 1.19 0.00 -0.72 4.18 -0.26 -0.58 -0.43 115.58 118.97 1s3z h ASN 106 Ca 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 1s3z h ASN 106 Cb -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1s3z h ASN 106 CO -0.06 0.00 0.00 0.29 -1.06 0.00 0.00 177.43 176.60 1s3z n LYS 107 N -2.33 2.86 -1.14 0.81 4.76 -0.34 -4.95 118.16 117.84 1s3z n LYS 107 Ca 0.01 -2.68 -0.01 0.00 -2.87 0.00 0.00 58.31 52.76 1s3z n LYS 107 Cb 0.21 -1.60 -0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1s3z n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s3z n GLY 108 N 1.56 0.43 3.76 0.72 0.00 -0.17 -4.95 105.19 106.54 1s3z n GLY 108 Ca 0.24 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 1s3z n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3z n ARG 110 N 2.68 0.11 -4.13 0.00 1.74 -1.25 -4.36 116.66 111.46 1s3z n ARG 110 Ca -0.06 -0.02 -0.16 0.00 -0.77 0.00 0.00 57.85 56.85 1s3z n ARG 110 Cb 0.51 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 30.31 1s3z n ARG 110 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1s3z s GLU 111 N -3.08 0.70 -0.05 5.56 2.02 -1.26 -5.09 118.70 117.50 1s3z s GLU 111 Ca 0.06 -0.89 0.06 0.00 0.02 0.00 0.00 54.97 54.22 1s3z s GLU 111 Cb 0.16 -0.58 -0.01 0.00 0.10 0.00 0.00 34.13 33.80 1s3z s GLU 111 CO 0.83 0.12 -0.24 1.41 0.02 0.00 0.00 175.26 177.40 1s3z s MET 112 N -1.77 2.33 0.23 1.61 -2.45 -1.26 -1.26 119.30 116.72 1s3z s MET 112 Ca -0.05 -0.86 0.01 0.00 -1.25 0.00 0.00 55.69 53.55 1s3z s MET 112 Cb -0.09 -2.03 -0.05 0.00 1.25 0.00 0.00 34.83 33.91 1s3z s MET 112 CO 0.01 0.39 0.08 0.00 1.05 0.00 0.00 175.02 176.55 1s3z s ALA 113 N -0.21 1.53 0.36 4.11 0.00 0.66 -4.93 121.76 123.27 1s3z s ALA 113 Ca -0.01 -1.77 -0.14 0.00 0.00 0.00 0.00 51.96 50.04 1s3z s ALA 113 Cb -0.13 1.00 0.04 0.00 0.00 0.00 0.00 23.12 24.04 1s3z s ALA 113 CO 0.03 -0.45 0.72 0.45 0.00 0.00 0.00 175.76 176.50 1s3z s SER 114 N -3.25 0.12 0.11 0.00 0.15 -1.26 -0.63 113.70 108.95 1s3z s SER 114 Ca 0.35 -1.14 -0.17 0.00 0.70 0.00 0.00 55.95 55.69 1s3z s SER 114 Cb 0.07 0.80 0.04 0.00 -1.71 0.00 0.00 66.02 65.22 1s3z s SER 114 CO 0.11 -1.58 0.43 1.51 1.20 0.00 0.00 173.24 174.91 1s3z s ASP 115 N -3.08 -0.28 0.21 5.45 1.47 -1.26 -5.01 116.67 114.17 1s3z s ASP 115 Ca 0.18 -0.23 -0.19 0.00 1.18 0.00 0.00 52.55 53.49 1s3z s ASP 115 Cb -0.04 0.48 0.03 0.00 -0.34 0.00 0.00 42.92 43.05 1s3z s ASP 115 CO 0.12 -0.83 0.57 0.28 0.68 0.00 0.00 175.17 175.99 1s3z s THR 116 N -3.57 0.02 0.38 2.11 -1.32 -1.26 -5.03 115.64 106.97 1s3z s THR 116 Ca 0.01 -0.75 -0.25 0.00 -1.21 0.00 0.00 61.69 59.49 1s3z s THR 116 Cb 0.01 -1.61 -0.09 0.00 -1.51 0.00 0.00 72.50 69.30 1s3z s THR 116 CO -0.10 -0.07 1.10 -0.55 -2.21 0.00 0.00 174.62 172.78 1s3z s SER 117 N -2.87 6.77 0.64 8.08 0.15 -1.26 -4.89 113.70 120.32 1s3z s SER 117 Ca 0.09 2.19 0.40 0.00 0.70 0.00 0.00 55.95 59.33 1s3z s SER 117 Cb -0.02 -2.60 2.25 0.00 -1.71 0.00 0.00 66.02 63.94 1s3z s SER 117 CO -0.02 -0.49 2.34 -0.65 1.20 0.00 0.00 173.24 175.62 1s3z h PRO 118 N 2.80 0.00 0.00 5.44 0.11 -2.01 0.94 132.00 139.27 1s3z h PRO 118 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1s3z h PRO 118 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1s3z h PRO 118 CO 0.63 0.00 -0.55 0.39 -0.21 0.00 0.00 178.00 178.26 1s3z n GLU 119 N -3.32 0.28 -2.90 1.05 1.02 -1.26 -4.58 120.64 110.93 1s3z n GLU 119 Ca -0.03 0.10 -0.44 0.00 -0.02 0.00 0.00 57.16 56.77 1s3z n GLU 119 Cb 0.07 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1s3z n GLU 119 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1s3z n ASN 120 N -2.10 5.21 -0.08 1.62 2.85 0.32 -4.81 115.26 118.27 1s3z n ASN 120 Ca 0.04 -2.99 -0.07 0.00 -0.11 0.00 0.00 54.58 51.45 1s3z n ASN 120 Cb 0.43 -1.57 -0.01 0.00 1.24 0.00 0.00 39.78 39.88 1s3z n ASN 120 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1s3z h THR 121 N 4.58 0.72 -0.18 -0.44 2.02 -1.81 -0.80 112.91 116.98 1s3z h THR 121 Ca 0.33 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 1s3z h THR 121 Cb 0.85 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1s3z h THR 121 CO 1.28 0.00 0.11 0.40 0.37 0.00 0.00 175.52 177.68 1s3z h ILE 122 N 0.01 1.03 -0.65 3.11 2.04 -1.97 -1.46 117.51 119.63 1s3z h ILE 122 Ca 0.14 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.99 1s3z h ILE 122 Cb 0.21 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1s3z h ILE 122 CO -0.30 0.04 0.34 -1.28 0.00 0.00 0.00 178.15 176.96 1s3z h SER 123 N 0.24 0.47 -0.62 1.72 0.87 -1.87 -0.62 113.55 113.74 1s3z h SER 123 Ca 0.07 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1s3z h SER 123 Cb -0.02 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1s3z h SER 123 CO -0.02 0.30 0.37 1.56 -0.53 0.00 0.00 176.83 178.50 1s3z h GLN 124 N 0.61 0.69 -0.65 2.24 4.20 -0.59 -0.60 115.11 121.02 1s3z h GLN 124 Ca 0.30 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 1s3z h GLN 124 Cb 0.24 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1s3z h GLN 124 CO -0.21 0.46 0.20 0.87 -0.67 0.00 0.00 178.83 179.47 1s3z h LYS 125 N 0.71 1.02 0.27 1.46 1.79 -0.49 -2.00 116.57 119.32 1s3z h LYS 125 Ca 0.26 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1s3z h LYS 125 Cb 0.08 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1s3z h LYS 125 CO -0.13 0.89 -0.20 0.28 -1.08 0.00 0.00 179.45 179.21 1s3z h VAL 126 N 0.95 0.56 -0.71 0.50 2.07 -0.63 0.41 116.25 119.40 1s3z h VAL 126 Ca 0.21 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.85 1s3z h VAL 126 Cb 0.30 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 1s3z h VAL 126 CO -0.01 0.00 0.30 0.45 0.02 0.00 0.00 177.57 178.33 1s3z h HIS 127 N -0.48 0.52 0.19 1.57 3.86 -0.94 0.16 115.15 120.02 1s3z h HIS 127 Ca -0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1s3z h HIS 127 Cb 0.42 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1s3z h HIS 127 CO -0.12 0.11 -0.09 1.96 0.86 0.00 0.00 177.93 180.65 1s3z h GLN 128 N 0.47 -0.24 -0.62 2.45 4.20 -1.04 -0.22 115.11 120.11 1s3z h GLN 128 Ca 0.37 0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.24 1s3z h GLN 128 Cb 0.51 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1s3z h GLN 128 CO -0.35 -0.03 0.42 0.00 -0.67 0.00 0.00 178.83 178.21 1s3z h ALA 129 N 0.35 2.25 -0.34 3.87 0.00 0.51 0.46 119.26 126.36 1s3z h ALA 129 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s3z h ALA 129 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1s3z h ALA 129 CO 0.04 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.16 1s3z n LEU 130 N -4.44 1.99 0.00 0.00 4.77 -0.02 -4.91 117.00 114.40 1s3z n LEU 130 Ca 0.11 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1s3z n LEU 130 Cb 0.52 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1s3z n LEU 130 CO 0.35 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1s3z n GLY 131 N 0.96 0.58 3.81 -0.72 0.00 0.15 -5.05 105.19 104.92 1s3z n GLY 131 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1s3z n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s3z s PHE 132 N -2.28 3.52 -0.02 1.61 0.40 -0.12 -5.01 117.98 116.08 1s3z s PHE 132 Ca 0.00 1.57 0.03 0.00 -0.60 0.00 0.00 56.93 57.92 1s3z s PHE 132 Cb 0.00 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.72 1s3z s PHE 132 CO 0.00 0.12 -0.07 -1.21 0.70 0.00 0.00 175.22 174.76 1s3z s GLU 133 N -2.52 2.61 0.14 0.44 2.02 -1.26 -4.22 118.70 115.90 1s3z s GLU 133 Ca 0.53 -0.67 -0.31 0.00 0.02 0.00 0.00 54.97 54.54 1s3z s GLU 133 Cb -0.14 -2.52 -0.08 0.00 0.10 0.00 0.00 34.13 31.49 1s3z s GLU 133 CO 0.19 0.62 1.32 -2.00 0.02 0.00 0.00 175.26 175.41 1s3z s GLU 134 N -1.20 4.37 0.00 1.61 2.12 -1.26 -4.97 118.70 119.37 1s3z s GLU 134 Ca 0.15 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.48 1s3z s GLU 134 Cb -0.11 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1s3z s GLU 134 CO 0.05 -0.32 0.00 0.25 -0.54 0.00 0.00 175.26 174.70 1s3z n THR 135 N 3.41 0.00 -4.26 -1.70 -2.24 -1.26 -5.10 114.28 103.13 1s3z n THR 135 Ca 0.09 0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 62.02 1s3z n THR 135 Cb 0.43 -1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 67.27 1s3z n THR 135 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1s3z s GLU 136 N -0.95 1.16 -0.07 -0.78 2.02 -1.26 -5.00 118.70 113.83 1s3z s GLU 136 Ca 0.00 -1.56 0.05 0.00 0.02 0.00 0.00 54.97 53.48 1s3z s GLU 136 Cb 0.00 -0.40 -0.00 0.00 0.10 0.00 0.00 34.13 33.83 1s3z s GLU 136 CO 0.00 -0.10 -0.21 1.03 0.02 0.00 0.00 175.26 176.00 1s3z s ARG 137 N -3.88 2.38 0.14 1.61 0.52 -1.26 -5.04 118.95 113.41 1s3z s ARG 137 Ca 0.24 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.66 1s3z s ARG 137 Cb 0.06 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 1s3z s ARG 137 CO 0.05 0.25 0.10 0.14 0.02 0.00 0.00 175.30 175.87 1s3z s VAL 138 N 0.11 0.10 -0.12 3.52 -7.23 -1.26 -5.14 120.40 110.37 1s3z s VAL 138 Ca -0.09 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.26 1s3z s VAL 138 Cb -0.14 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1s3z s VAL 138 CO 0.05 -0.43 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.75 1s3z s ILE 139 N -4.03 4.09 0.06 -0.62 1.01 -1.26 -5.12 121.20 115.34 1s3z s ILE 139 Ca 0.22 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1s3z s ILE 139 Cb 0.07 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1s3z s ILE 139 CO 0.01 0.54 0.09 -0.36 0.00 0.00 0.00 174.94 175.23 1s3z s PHE 140 N -0.24 3.24 0.14 3.97 0.40 -1.26 -5.12 117.98 119.11 1s3z s PHE 140 Ca 0.05 0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.56 1s3z s PHE 140 Cb -0.13 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 1s3z s PHE 140 CO 0.02 0.53 -0.14 0.71 0.70 0.00 0.00 175.22 177.04 1s3z s TYR 141 N -1.37 1.46 -0.02 0.36 2.02 -1.26 -5.16 117.35 113.38 1s3z s TYR 141 Ca 0.29 -0.57 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1s3z s TYR 141 Cb -0.12 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 40.69 1s3z s TYR 141 CO 0.21 0.18 0.09 0.50 -1.57 0.00 0.00 175.55 174.96 1s3z s ARG 142 N -2.87 0.23 -0.05 -0.62 3.52 -1.26 -5.14 118.95 112.77 1s3z s ARG 142 Ca 0.12 -0.10 -0.00 0.00 -0.13 0.00 0.00 55.73 55.61 1s3z s ARG 142 Cb -0.04 0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.48 1s3z s ARG 142 CO 0.03 -0.04 0.01 0.21 -0.81 0.00 0.00 175.30 174.70 1s3z s LYS 143 N -0.51 0.39 0.15 5.12 2.20 -1.26 -5.13 119.74 120.71 1s3z s LYS 143 Ca -0.06 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 1s3z s LYS 143 Cb -0.04 -0.68 -0.07 0.00 -1.51 0.00 0.00 37.83 35.53 1s3z s LYS 143 CO 0.00 -0.22 1.17 1.03 -0.36 0.00 0.00 175.35 176.98 1s3z s ARG 144 N 1.51 4.50 0.00 4.03 0.52 -1.26 -5.39 118.95 122.87 1s3z s ARG 144 Ca -0.03 1.81 0.27 0.00 -0.52 0.00 0.00 55.73 57.26 1s3z s ARG 144 Cb -0.13 -3.28 0.87 0.00 0.52 0.00 0.00 34.95 32.93 1s3z s ARG 144 CO -0.03 -0.09 1.64 0.00 0.02 0.00 0.00 175.30 176.85