#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3z s HIS 0 N 0.00 3.26 0.02 7.33 5.65 -1.26 -5.02 115.29 125.28 1s3z s HIS 0 Ca 0.00 1.02 0.05 0.00 0.25 0.00 0.00 55.06 56.38 1s3z s HIS 0 Cb 0.00 -3.65 -0.03 0.00 -1.18 0.00 0.00 32.58 27.72 1s3z s HIS 0 CO 0.00 -2.23 -0.13 1.41 -0.65 0.00 0.00 174.74 173.15 1s3z s MET 1 N 0.95 2.30 0.02 2.88 1.75 -1.26 -4.32 119.30 121.62 1s3z s MET 1 Ca 0.63 -0.86 0.08 0.00 -1.25 0.00 0.00 55.69 54.29 1s3z s MET 1 Cb -0.36 -2.33 -0.02 0.00 2.84 0.00 0.00 34.83 34.95 1s3z s MET 1 CO 0.31 0.57 -0.24 -0.51 -0.65 0.00 0.00 175.02 174.50 1s3z s ASP 2 N -1.41 2.85 -0.35 1.11 1.01 0.47 -4.96 116.67 115.40 1s3z s ASP 2 Ca 0.16 -0.51 -0.12 0.00 0.71 0.00 0.00 52.55 52.79 1s3z s ASP 2 Cb -0.11 -0.28 -0.00 0.00 1.01 0.00 0.00 42.92 43.54 1s3z s ASP 2 CO 0.06 0.25 0.22 -0.63 0.21 0.00 0.00 175.17 175.27 1s3z s ILE 3 N -0.71 4.95 -0.11 0.77 -1.09 -1.26 0.49 121.20 124.24 1s3z s ILE 3 Ca 0.10 -0.45 -0.03 0.00 -2.23 0.00 0.00 60.65 58.04 1s3z s ILE 3 Cb -0.09 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1s3z s ILE 3 CO 0.01 -0.06 -0.00 -0.13 -1.23 0.00 0.00 174.94 173.52 1s3z s ARG 4 N 1.66 3.25 0.24 2.79 1.81 -0.07 -4.89 118.95 123.74 1s3z s ARG 4 Ca 0.05 -0.43 -0.30 0.00 -1.72 0.00 0.00 55.73 53.33 1s3z s ARG 4 Cb -0.18 -2.86 -0.09 0.00 -0.45 0.00 0.00 34.95 31.37 1s3z s ARG 4 CO 0.08 0.55 1.19 -1.14 -0.68 0.00 0.00 175.30 175.30 1s3z s GLN 5 N -0.45 4.51 0.07 3.54 0.74 -1.26 -0.70 119.66 126.10 1s3z s GLN 5 Ca 0.08 1.92 -0.31 0.00 0.05 0.00 0.00 55.36 57.11 1s3z s GLN 5 Cb -0.12 -3.19 -0.07 0.00 1.10 0.00 0.00 33.01 30.73 1s3z s GLN 5 CO 0.02 -0.01 1.46 1.41 -0.55 0.00 0.00 175.29 177.62 1s3z s MET 6 N -0.92 4.28 0.46 1.67 -2.45 0.20 -4.88 119.30 117.66 1s3z s MET 6 Ca 0.49 2.11 0.02 0.00 -1.25 0.00 0.00 55.69 57.07 1s3z s MET 6 Cb -0.34 -3.42 -0.01 0.00 1.25 0.00 0.00 34.83 32.31 1s3z s MET 6 CO 0.41 -0.56 0.09 0.27 1.05 0.00 0.00 175.02 176.28 1s3z n ASN 7 N 4.77 2.15 -0.35 1.11 0.23 -1.26 -4.81 115.26 117.10 1s3z n ASN 7 Ca 0.13 -3.22 0.23 0.00 -0.53 0.00 0.00 54.58 51.19 1s3z n ASN 7 Cb 0.42 0.76 0.48 0.00 -2.08 0.00 0.00 39.78 39.36 1s3z n ASN 7 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1s3z h LYS 8 N 0.00 0.38 0.00 -3.83 1.63 -1.97 0.16 116.57 112.94 1s3z h LYS 8 Ca -0.37 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1s3z h LYS 8 Cb 1.26 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1s3z h LYS 8 CO 0.59 0.25 0.00 1.79 -3.45 0.00 0.00 179.45 178.63 1s3z h THR 9 N 0.39 0.00 -0.29 1.00 1.35 -1.98 -2.60 112.91 110.78 1s3z h THR 9 Ca 0.67 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.34 1s3z h THR 9 Cb 1.60 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1s3z h THR 9 CO -0.44 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.24 1s3z n HIS 10 N -2.73 0.37 -0.26 4.73 8.25 0.56 -4.67 115.22 121.47 1s3z n HIS 10 Ca -0.01 -0.28 0.05 0.00 -0.26 0.00 0.00 57.72 57.22 1s3z n HIS 10 Cb 0.17 -0.01 0.19 0.00 1.12 0.00 0.00 29.99 31.46 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 2.98 0.33 -0.49 2.41 3.38 -1.39 -0.24 115.31 122.28 1s3z h LEU 11 Ca 0.00 0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1s3z h LEU 11 Cb 0.76 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1s3z h LEU 11 CO 0.00 0.13 -0.39 -0.33 0.09 0.00 0.00 178.44 177.94 1s3z h GLU 12 N 0.48 0.82 -0.43 1.13 3.07 -1.83 -0.87 114.58 116.94 1s3z h GLU 12 Ca 0.42 -0.43 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1s3z h GLU 12 Cb 0.62 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.52 1s3z h GLU 12 CO -0.39 1.06 0.24 0.45 -1.40 0.00 0.00 179.01 178.97 1s3z h HIS 13 N 0.67 0.45 0.47 4.33 3.86 -1.69 -1.92 115.15 121.32 1s3z h HIS 13 Ca 0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1s3z h HIS 13 Cb 0.96 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1s3z h HIS 13 CO 0.05 0.25 -0.23 2.35 0.86 0.00 0.00 177.93 181.22 1s3z h TRP 14 N 0.49 -0.58 -0.98 2.45 7.01 -0.90 -2.69 115.95 120.74 1s3z h TRP 14 Ca 0.18 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.20 1s3z h TRP 14 Cb 0.04 0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.23 1s3z h TRP 14 CO -0.08 -0.34 0.64 0.00 -2.79 0.00 0.00 178.44 175.87 1s3z h ARG 15 N -0.68 1.20 -0.71 2.65 3.08 -1.17 0.39 114.38 119.13 1s3z h ARG 15 Ca -0.06 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1s3z h ARG 15 Cb 0.51 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1s3z h ARG 15 CO 0.11 0.79 0.44 0.78 -1.07 0.00 0.00 179.97 181.01 1s3z h GLY 16 N 1.23 1.03 1.22 0.04 0.00 -1.27 -2.06 103.07 103.26 1s3z h GLY 16 Ca 0.39 -0.41 -0.34 0.00 0.00 0.00 0.00 47.33 46.97 1s3z h GLY 16 CO -0.13 0.40 -1.53 1.41 0.00 0.00 0.00 176.54 176.70 1s3z h LEU 17 N 0.98 0.81 -1.18 3.11 3.38 -0.89 -3.32 115.31 118.21 1s3z h LEU 17 Ca 0.26 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 57.35 1s3z h LEU 17 Cb -0.05 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.39 1s3z h LEU 17 CO -0.05 1.72 0.56 -0.09 0.09 0.00 0.00 178.44 180.68 1s3z h ARG 18 N 0.14 1.04 0.00 1.13 2.43 -0.08 0.22 114.38 119.27 1s3z h ARG 18 Ca -0.27 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1s3z h ARG 18 Cb 2.16 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1s3z h ARG 18 CO 0.26 0.69 -0.09 0.87 -1.51 0.00 0.00 179.97 180.20 1s3z h LYS 19 N 1.08 0.00 0.00 0.20 1.57 -1.49 -0.71 116.57 117.21 1s3z h LYS 19 Ca 0.34 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.94 1s3z h LYS 19 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1s3z h LYS 19 CO -0.10 0.09 -0.91 1.96 -0.57 0.00 0.00 179.45 179.92 1s3z h GLN 20 N 0.00 0.00 0.04 3.15 4.20 -1.07 -3.06 115.11 118.37 1s3z h GLN 20 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1s3z h GLN 20 Cb 0.44 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.23 1s3z h GLN 20 CO 0.01 0.78 -0.84 1.25 -0.67 0.00 0.00 178.83 179.36 1s3z h LEU 21 N 0.00 0.68 -6.50 1.46 5.85 -0.75 -3.40 115.31 112.64 1s3z h LEU 21 Ca -0.03 -0.79 -0.60 0.00 0.84 0.00 0.00 57.88 57.30 1s3z h LEU 21 Cb 1.66 -0.21 -0.41 0.00 0.37 0.00 0.00 40.66 42.07 1s3z h LEU 21 CO 0.10 1.38 -0.72 0.79 -0.34 0.00 0.00 178.44 179.65 1s3z n TRP 22 N -4.05 2.21 -0.64 1.25 8.01 -0.34 -5.12 117.44 118.76 1s3z n TRP 22 Ca -0.11 -3.99 -0.31 0.00 -1.31 0.00 0.00 57.50 51.78 1s3z n TRP 22 Cb 0.79 -0.43 0.19 0.00 -2.01 0.00 0.00 31.31 29.85 1s3z n TRP 22 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1s3z n PRO 23 N 1.61 -0.94 -0.82 -0.99 -0.02 -1.15 -2.33 135.00 130.36 1s3z n PRO 23 Ca 0.25 -0.22 -0.02 0.00 -2.02 0.00 0.00 63.50 61.49 1s3z n PRO 23 Cb 0.42 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1s3z n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3z n GLY 24 N 0.59 0.19 3.71 -1.23 0.00 -1.26 -4.86 105.19 102.33 1s3z n GLY 24 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1s3z n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s3z s HIS 25 N -0.93 3.65 0.27 1.61 5.04 -0.98 -4.93 115.29 119.02 1s3z s HIS 25 Ca 0.00 1.66 -0.29 0.00 -1.54 0.00 0.00 55.06 54.89 1s3z s HIS 25 Cb 0.00 -3.16 -0.14 0.00 0.04 0.00 0.00 32.58 29.33 1s3z s HIS 25 CO 0.00 -0.17 1.16 -2.30 -2.34 0.00 0.00 174.74 171.09 1s3z n PRO 26 N 3.65 1.59 -0.17 2.88 -0.02 -1.26 -4.86 135.00 136.81 1s3z n PRO 26 Ca 0.06 0.56 -0.02 0.00 -2.02 0.00 0.00 63.50 62.08 1s3z n PRO 26 Cb 0.50 -2.04 0.08 0.00 -0.02 0.00 0.00 33.50 32.01 1s3z n PRO 26 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1s3z h ASP 27 N 2.72 0.08 -0.26 2.55 3.58 -1.99 0.83 116.42 123.93 1s3z h ASP 27 Ca -0.42 0.08 0.06 0.00 0.42 0.00 0.00 57.03 57.17 1s3z h ASP 27 Cb 1.32 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.45 1s3z h ASP 27 CO 0.65 0.07 0.18 0.44 -2.88 0.00 0.00 179.24 177.70 1s3z h ASP 28 N 0.30 0.08 -0.14 2.28 3.32 -2.01 -2.21 116.42 118.04 1s3z h ASP 28 Ca 0.26 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1s3z h ASP 28 Cb 0.33 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1s3z h ASP 28 CO -0.31 0.05 -0.05 0.00 -1.72 0.00 0.00 179.24 177.21 1s3z h ALA 29 N 1.87 0.19 -0.62 3.45 0.00 -1.20 -2.39 119.26 120.56 1s3z h ALA 29 Ca 0.12 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1s3z h ALA 29 Cb 0.36 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1s3z h ALA 29 CO -0.01 -0.04 0.29 0.45 0.00 0.00 0.00 179.25 179.94 1s3z h HIS 30 N -0.05 0.53 0.25 0.00 3.86 -0.90 0.25 115.15 119.08 1s3z h HIS 30 Ca 0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1s3z h HIS 30 Cb 0.50 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1s3z h HIS 30 CO 0.06 0.21 -0.23 1.25 0.86 0.00 0.00 177.93 180.08 1s3z h LEU 31 N 0.53 -0.60 -0.11 2.43 5.85 -1.44 0.23 115.31 122.20 1s3z h LEU 31 Ca 0.30 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1s3z h LEU 31 Cb 0.28 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1s3z h LEU 31 CO -0.24 -0.34 0.07 0.00 -0.34 0.00 0.00 178.44 177.59 1s3z h ALA 32 N 0.19 0.14 -0.65 1.25 0.00 -1.11 -2.10 119.26 116.98 1s3z h ALA 32 Ca -0.01 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1s3z h ALA 32 Cb 0.46 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1s3z h ALA 32 CO -0.04 -0.35 0.26 -0.44 0.00 0.00 0.00 179.25 178.68 1s3z h ASP 33 N 0.12 0.29 -0.51 0.00 3.32 -0.32 0.22 116.42 119.54 1s3z h ASP 33 Ca 0.04 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1s3z h ASP 33 Cb 0.02 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1s3z h ASP 33 CO -0.01 0.16 0.31 1.23 -1.72 0.00 0.00 179.24 179.22 1s3z h GLY 34 N 0.46 0.73 1.00 2.75 0.00 -0.30 0.76 103.07 108.46 1s3z h GLY 34 Ca 0.33 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 1s3z h GLY 34 CO -0.31 0.21 -0.11 0.83 0.00 0.00 0.00 176.54 177.17 1s3z h GLU 35 N 0.63 0.80 -0.44 4.80 4.39 -0.56 -1.50 114.58 122.71 1s3z h GLU 35 Ca 0.20 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1s3z h GLU 35 Cb 0.00 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1s3z h GLU 35 CO -0.08 0.93 0.26 1.49 -1.16 0.00 0.00 179.01 180.45 1s3z h GLU 36 N 0.62 0.52 -0.71 2.33 4.81 -0.38 -2.68 114.58 119.09 1s3z h GLU 36 Ca 0.10 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1s3z h GLU 36 Cb 0.64 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1s3z h GLU 36 CO 0.04 0.34 0.33 0.82 -0.73 0.00 0.00 179.01 179.81 1s3z h ILE 37 N 0.54 1.24 0.00 2.32 2.04 -0.53 -1.68 117.51 121.43 1s3z h ILE 37 Ca 0.17 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1s3z h ILE 37 Cb -0.01 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1s3z h ILE 37 CO -0.07 0.29 -0.02 -0.07 0.00 0.00 0.00 178.15 178.28 1s3z h LEU 38 N 1.00 0.00 -0.89 1.44 3.38 -0.95 -2.63 115.31 116.66 1s3z h LEU 38 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1s3z h LEU 38 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1s3z h LEU 38 CO -0.03 0.02 -0.36 0.00 0.09 0.00 0.00 178.44 178.16 1s3z n GLN 39 N -3.45 1.61 -2.29 1.13 6.02 -0.69 -5.03 117.38 114.69 1s3z n GLN 39 Ca -0.03 -0.83 -0.32 0.00 -0.01 0.00 0.00 57.00 55.82 1s3z n GLN 39 Cb 0.11 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 1s3z n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s3z s ALA 40 N -1.98 3.10 -0.42 -1.58 0.00 -0.85 -4.99 121.76 115.03 1s3z s ALA 40 Ca 0.14 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.25 1s3z s ALA 40 Cb 0.14 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 20.11 1s3z s ALA 40 CO 0.43 -0.35 0.37 -0.40 0.00 0.00 0.00 175.76 175.81 1s3z n ASP 41 N -1.90 0.46 -0.79 0.00 5.68 -1.26 -4.55 116.55 114.20 1s3z n ASP 41 Ca 0.06 -0.73 0.07 0.00 -0.50 0.00 0.00 54.79 53.69 1s3z n ASP 41 Cb 0.54 0.94 0.19 0.00 -1.14 0.00 0.00 41.12 41.65 1s3z n ASP 41 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1s3z n HIS 42 N -1.08 0.63 -4.27 2.11 8.25 -1.26 -4.93 115.22 114.67 1s3z n HIS 42 Ca 0.02 -0.56 -0.17 0.00 -0.26 0.00 0.00 57.72 56.75 1s3z n HIS 42 Cb 0.13 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.02 1s3z n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1s3z s LEU 43 N -1.29 2.05 -0.07 2.41 1.43 -1.26 -0.64 118.68 121.30 1s3z s LEU 43 Ca 0.30 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 52.97 1s3z s LEU 43 Cb 0.17 -0.38 0.05 0.00 0.03 0.00 0.00 46.19 46.06 1s3z s LEU 43 CO 0.17 0.06 0.53 0.00 0.23 0.00 0.00 176.35 177.34 1s3z s ALA 44 N -0.33 -1.35 0.13 4.21 0.00 -0.79 -4.72 121.76 118.91 1s3z s ALA 44 Ca 0.02 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.09 1s3z s ALA 44 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1s3z s ALA 44 CO -0.00 -0.31 -0.15 -1.12 0.00 0.00 0.00 175.76 174.18 1s3z s SER 45 N -0.89 2.10 -0.02 0.00 0.01 -1.26 -0.22 113.70 113.41 1s3z s SER 45 Ca -0.09 -0.83 0.02 0.00 1.31 0.00 0.00 55.95 56.36 1s3z s SER 45 Cb -0.03 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1s3z s SER 45 CO 0.06 -0.13 -0.07 -0.36 0.41 0.00 0.00 173.24 173.15 1s3z s PHE 46 N -2.16 0.77 -0.17 2.43 0.40 0.48 0.61 117.98 120.34 1s3z s PHE 46 Ca 0.10 -0.18 -0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1s3z s PHE 46 Cb -0.05 -0.56 -0.00 0.00 0.51 0.00 0.00 43.02 42.92 1s3z s PHE 46 CO 0.03 -0.09 -0.14 0.42 0.70 0.00 0.00 175.22 176.15 1s3z s ILE 47 N 0.24 2.78 -0.20 0.64 -1.09 0.12 -0.83 121.20 122.85 1s3z s ILE 47 Ca -0.03 -0.73 -0.26 0.00 -2.23 0.00 0.00 60.65 57.40 1s3z s ILE 47 Cb -0.08 -2.19 -0.01 0.00 -1.58 0.00 0.00 42.46 38.61 1s3z s ILE 47 CO 0.00 0.50 0.90 0.00 -1.23 0.00 0.00 174.94 175.11 1s3z s ALA 48 N 0.91 3.58 0.00 9.38 0.00 0.17 -0.89 121.76 134.91 1s3z s ALA 48 Ca -0.03 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1s3z s ALA 48 Cb -0.15 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1s3z s ALA 48 CO -0.01 -0.82 -0.24 -1.64 0.00 0.00 0.00 175.76 173.05 1s3z s MET 49 N 2.58 1.82 -0.17 0.00 -1.94 0.18 -0.69 119.30 121.08 1s3z s MET 49 Ca 0.40 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 53.37 1s3z s MET 49 Cb -0.16 -1.82 0.05 0.00 2.01 0.00 0.00 34.83 34.91 1s3z s MET 49 CO 0.10 0.49 0.42 0.00 -0.01 0.00 0.00 175.02 176.02 1s3z s ALA 50 N -0.62 -1.07 -1.20 3.03 0.00 -0.59 -0.39 121.76 120.92 1s3z s ALA 50 Ca 0.09 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.49 1s3z s ALA 50 Cb -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1s3z s ALA 50 CO -0.00 -0.25 0.05 -0.25 0.00 0.00 0.00 175.76 175.31 1s3z n ASP 51 N 3.81 -4.29 0.00 0.00 8.00 -1.26 -1.45 116.55 121.36 1s3z n ASP 51 Ca -0.20 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1s3z n ASP 51 Cb 0.56 -3.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 1s3z n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s3z n GLY 52 N -0.89 1.51 3.67 0.44 0.00 -1.26 -5.04 105.19 103.62 1s3z n GLY 52 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1s3z n GLY 52 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s3z s VAL 53 N -3.04 3.73 -0.25 1.61 -7.23 -0.53 -5.10 120.40 109.58 1s3z s VAL 53 Ca 0.00 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 1s3z s VAL 53 Cb 0.00 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 1s3z s VAL 53 CO 0.00 -0.18 0.40 0.00 -0.31 0.00 0.00 175.10 175.01 1s3z s ALA 54 N -1.88 3.57 -1.23 1.32 0.00 -1.26 -1.54 121.76 120.73 1s3z s ALA 54 Ca 0.29 -0.70 0.12 0.00 0.00 0.00 0.00 51.96 51.67 1s3z s ALA 54 Cb -0.09 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.34 1s3z s ALA 54 CO 0.19 -0.56 0.76 0.44 0.00 0.00 0.00 175.76 176.59 1s3z n ILE 55 N 4.89 0.00 -3.61 0.00 -5.35 0.13 -5.00 119.36 110.43 1s3z n ILE 55 Ca -0.08 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1s3z n ILE 55 Cb 0.51 1.17 -0.01 0.00 -1.74 0.00 0.00 39.64 39.57 1s3z n ILE 55 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s3z s GLY 56 N -1.45 -0.38 0.20 3.28 0.00 -1.23 -1.43 107.32 106.31 1s3z s GLY 56 Ca 0.11 1.03 -0.19 0.00 0.00 0.00 0.00 44.72 45.68 1s3z s GLY 56 CO 0.28 0.26 0.55 -0.11 0.00 0.00 0.00 173.10 174.08 1s3z s PHE 57 N -2.34 -0.18 -0.01 1.90 -0.71 0.55 -0.66 117.98 116.53 1s3z s PHE 57 Ca 0.13 -0.15 -0.00 0.00 -1.04 0.00 0.00 56.93 55.86 1s3z s PHE 57 Cb 0.03 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 1s3z s PHE 57 CO -0.04 -0.94 0.01 0.00 -1.34 0.00 0.00 175.22 172.91 1s3z s ALA 58 N -3.86 -0.02 -0.11 1.99 0.00 -0.01 -1.14 121.76 118.61 1s3z s ALA 58 Ca 0.08 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 1s3z s ALA 58 Cb -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1s3z s ALA 58 CO -0.03 -0.02 0.08 -0.51 0.00 0.00 0.00 175.76 175.28 1s3z s ASP 59 N 0.13 5.87 0.09 0.00 1.01 -0.10 -0.39 116.67 123.29 1s3z s ASP 59 Ca -0.01 0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.57 1s3z s ASP 59 Cb -0.02 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 1s3z s ASP 59 CO -0.00 0.38 -0.05 0.00 0.21 0.00 0.00 175.17 175.70 1s3z s ALA 60 N -0.84 0.86 0.20 5.23 0.00 0.69 -0.59 121.76 127.31 1s3z s ALA 60 Ca 0.13 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1s3z s ALA 60 Cb -0.12 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1s3z s ALA 60 CO 0.03 -0.27 0.20 -1.54 0.00 0.00 0.00 175.76 174.18 1s3z s SER 61 N -3.01 0.11 -0.25 0.00 1.04 -0.13 -1.89 113.70 109.56 1s3z s SER 61 Ca 0.11 -1.26 -0.01 0.00 0.48 0.00 0.00 55.95 55.27 1s3z s SER 61 Cb 0.06 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1s3z s SER 61 CO -0.06 -0.90 -0.07 -0.63 0.98 0.00 0.00 173.24 172.57 1s3z s ILE 62 N -4.11 2.81 -0.18 -1.02 -1.09 0.18 -0.31 121.20 117.47 1s3z s ILE 62 Ca 0.33 -1.07 -0.06 0.00 -2.23 0.00 0.00 60.65 57.62 1s3z s ILE 62 Cb 0.05 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 1s3z s ILE 62 CO 0.10 0.18 0.04 -0.13 -1.23 0.00 0.00 174.94 173.90 1s3z s ARG 63 N 1.31 3.86 0.02 2.79 0.52 0.95 -4.90 118.95 123.50 1s3z s ARG 63 Ca -0.00 -0.40 0.22 0.00 -0.52 0.00 0.00 55.73 55.02 1s3z s ARG 63 Cb -0.17 -3.15 -0.24 0.00 0.52 0.00 0.00 34.95 31.91 1s3z s ARG 63 CO -0.05 0.21 0.61 0.72 0.02 0.00 0.00 175.30 176.81 1s3z n HIS 64 N 3.71 0.29 -0.97 -0.53 8.25 -1.26 -1.21 115.22 123.50 1s3z n HIS 64 Ca -0.17 0.09 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 1s3z n HIS 64 Cb 0.52 -0.68 0.13 0.00 1.12 0.00 0.00 29.99 31.09 1s3z n HIS 64 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1s3z s ASP 65 N -4.85 3.60 0.26 0.41 1.01 -1.26 -4.89 116.67 110.95 1s3z s ASP 65 Ca -0.06 2.08 -0.31 0.00 0.71 0.00 0.00 52.55 54.97 1s3z s ASP 65 Cb 0.12 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.37 1s3z s ASP 65 CO 0.87 -2.64 1.53 0.00 0.21 0.00 0.00 175.17 175.14 1s3z n TYR 66 N -3.82 2.56 -4.12 4.23 9.36 -1.26 -4.92 117.16 119.19 1s3z n TYR 66 Ca 0.11 0.31 -0.35 0.00 3.32 0.00 0.00 57.90 61.29 1s3z n TYR 66 Cb 0.52 -2.55 -0.14 0.00 -0.63 0.00 0.00 39.34 36.55 1s3z n TYR 66 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1s3z s VAL 67 N 0.09 3.50 -0.09 2.97 1.01 -1.26 -5.07 120.40 121.55 1s3z s VAL 67 Ca 0.67 -0.47 -0.39 0.00 0.00 0.00 0.00 61.98 61.80 1s3z s VAL 67 Cb -0.56 -2.57 -0.17 0.00 0.00 0.00 0.00 36.38 33.08 1s3z s VAL 67 CO 0.47 0.45 1.50 0.59 0.00 0.00 0.00 175.10 178.11 1s3z n ASN 68 N 4.36 1.83 0.00 3.32 4.13 -1.26 -1.65 115.26 126.00 1s3z n ASN 68 Ca -0.18 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.19 1s3z n ASN 68 Cb 0.51 -1.14 0.00 0.00 -1.54 0.00 0.00 39.78 37.61 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 3.20 1.12 3.94 7.41 0.00 -1.26 -4.91 105.19 114.69 1s3z n GLY 69 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.51 1.35 -4.11 0.00 8.00 -1.26 -4.86 116.55 115.16 1s3z n ASP 71 Ca -0.07 -1.17 -0.21 0.00 0.71 0.00 0.00 54.79 54.05 1s3z n ASP 71 Cb 0.54 0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 41.79 1s3z n ASP 71 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s3z s SER 72 N -0.92 1.97 -0.16 -2.24 1.04 -1.26 -5.17 113.70 106.96 1s3z s SER 72 Ca 0.08 -1.55 -0.18 0.00 0.48 0.00 0.00 55.95 54.77 1s3z s SER 72 Cb 0.06 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1s3z s SER 72 CO 0.15 -0.85 0.50 -0.55 0.98 0.00 0.00 173.24 173.48 1s3z s SER 73 N -3.45 -0.51 0.84 7.02 0.15 -1.26 -4.63 113.70 111.86 1s3z s SER 73 Ca 0.33 0.91 -0.12 0.00 0.70 0.00 0.00 55.95 57.77 1s3z s SER 73 Cb 0.05 0.93 0.10 0.00 -1.71 0.00 0.00 66.02 65.39 1s3z s SER 73 CO 0.16 -0.24 1.15 -2.16 1.20 0.00 0.00 173.24 173.35 1s3z s PRO 74 N -0.01 1.74 -0.00 5.44 0.04 -1.26 -4.99 135.00 135.95 1s3z s PRO 74 Ca -0.02 0.26 0.05 0.00 0.04 0.00 0.00 61.00 61.33 1s3z s PRO 74 Cb -0.03 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1s3z s PRO 74 CO 0.02 -1.78 -0.17 0.08 0.04 0.00 0.00 177.00 175.18 1s3z s VAL 75 N -3.41 1.38 -0.11 -0.36 1.01 -0.35 -4.17 120.40 114.39 1s3z s VAL 75 Ca 0.62 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1s3z s VAL 75 Cb -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1s3z s VAL 75 CO 0.51 0.34 0.59 0.54 0.00 0.00 0.00 175.10 177.08 1s3z s VAL 76 N -0.47 5.11 -0.07 2.92 0.11 -0.52 -0.03 120.40 127.44 1s3z s VAL 76 Ca 0.06 1.18 0.04 0.00 -2.93 0.00 0.00 61.98 60.34 1s3z s VAL 76 Cb -0.07 -3.92 -0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1s3z s VAL 76 CO -0.00 0.26 -0.21 0.12 -3.33 0.00 0.00 175.10 171.94 1s3z s PHE 77 N 0.90 2.19 -0.62 1.54 2.19 0.57 -0.74 117.98 124.01 1s3z s PHE 77 Ca 0.31 -0.76 -0.25 0.00 0.33 0.00 0.00 56.93 56.55 1s3z s PHE 77 Cb -0.16 -1.47 0.04 0.00 -1.31 0.00 0.00 43.02 40.12 1s3z s PHE 77 CO 0.13 -0.29 1.07 -1.17 1.83 0.00 0.00 175.22 176.80 1s3z s LEU 78 N 0.17 3.82 0.37 6.12 2.96 0.46 -0.96 118.68 131.62 1s3z s LEU 78 Ca -0.10 -0.42 0.20 0.00 -0.22 0.00 0.00 54.13 53.58 1s3z s LEU 78 Cb -0.15 -2.75 0.36 0.00 0.50 0.00 0.00 46.19 44.16 1s3z s LEU 78 CO 0.05 -1.46 1.59 -0.33 -1.32 0.00 0.00 176.35 174.88 1s3z h GLU 79 N 9.58 0.00 -1.16 1.98 4.39 -1.17 -3.41 114.58 124.79 1s3z h GLU 79 Ca -0.27 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.65 1s3z h GLU 79 Cb 1.06 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.45 1s3z h GLU 79 CO 1.17 0.27 0.89 0.20 -1.16 0.00 0.00 179.01 180.38 1s3z s GLY 80 N -4.34 -0.00 -0.14 -3.84 0.00 -1.15 -4.94 107.32 92.91 1s3z s GLY 80 Ca 0.04 2.60 -0.16 0.00 0.00 0.00 0.00 44.72 47.20 1s3z s GLY 80 CO 0.69 1.04 0.42 -1.50 0.00 0.00 0.00 173.10 173.76 1s3z s ILE 81 N -1.16 0.01 -0.22 0.90 2.07 -1.26 -0.92 121.20 120.61 1s3z s ILE 81 Ca 0.07 -0.06 -0.18 0.00 -1.41 0.00 0.00 60.65 59.07 1s3z s ILE 81 Cb -0.01 -0.62 0.06 0.00 0.13 0.00 0.00 42.46 42.02 1s3z s ILE 81 CO -0.06 -0.04 0.57 0.12 -1.91 0.00 0.00 174.94 173.63 1s3z s PHE 82 N -0.04 -0.71 -0.05 3.50 5.36 -0.29 -5.01 117.98 120.73 1s3z s PHE 82 Ca -0.02 1.62 0.03 0.00 -0.96 0.00 0.00 56.93 57.60 1s3z s PHE 82 Cb -0.03 0.30 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 1s3z s PHE 82 CO 0.01 -0.35 -0.15 0.08 -1.46 0.00 0.00 175.22 173.36 1s3z s VAL 83 N 0.73 1.26 0.48 3.12 1.01 -1.26 -0.33 120.40 125.40 1s3z s VAL 83 Ca -0.03 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1s3z s VAL 83 Cb -0.05 -1.10 -0.08 0.00 0.00 0.00 0.00 36.38 35.15 1s3z s VAL 83 CO -0.05 0.37 1.20 0.18 0.00 0.00 0.00 175.10 176.80 1s3z n LEU 84 N 3.35 4.12 -0.27 3.92 4.77 -0.51 -4.83 117.00 127.56 1s3z n LEU 84 Ca -0.19 1.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.87 1s3z n LEU 84 Cb 0.53 -1.48 0.19 0.00 -2.33 0.00 0.00 43.42 40.33 1s3z n LEU 84 CO 0.25 -0.98 0.87 -0.65 -1.33 0.00 0.00 177.39 175.55 1s3z h PRO 85 N 1.55 0.15 0.00 3.23 0.11 -2.00 -0.86 132.00 134.18 1s3z h PRO 85 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s3z h PRO 85 Cb 1.32 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1s3z h PRO 85 CO 0.57 0.10 0.00 0.43 -0.21 0.00 0.00 178.00 178.89 1s3z n SER 86 N -5.29 0.20 -0.30 -2.05 7.64 -1.26 -2.56 113.62 110.00 1s3z n SER 86 Ca 0.15 0.56 0.07 0.00 1.01 0.00 0.00 58.87 60.67 1s3z n SER 86 Cb 0.52 -0.60 0.14 0.00 -1.01 0.00 0.00 64.21 63.27 1s3z n SER 86 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1s3z n PHE 87 N -1.73 0.26 -1.81 1.43 3.72 -0.33 -5.05 117.46 113.96 1s3z n PHE 87 Ca 0.02 -0.84 -0.31 0.00 -0.05 0.00 0.00 57.45 56.28 1s3z n PHE 87 Cb 0.15 -0.16 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1s3z n PHE 87 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1s3z s ARG 88 N -2.36 3.33 -1.56 -1.08 0.52 -1.06 -4.04 118.95 112.70 1s3z s ARG 88 Ca 0.28 0.74 -0.04 0.00 -0.52 0.00 0.00 55.73 56.20 1s3z s ARG 88 Cb 0.23 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.65 1s3z s ARG 88 CO 0.05 -0.77 0.48 1.04 0.02 0.00 0.00 175.30 176.12 1s3z n GLN 89 N -2.88 -4.18 0.00 3.54 6.02 -1.26 -4.86 117.38 113.76 1s3z n GLN 89 Ca 0.06 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.96 1s3z n GLN 89 Cb 0.54 -5.68 0.00 0.00 1.02 0.00 0.00 30.24 26.13 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 -3.75 1.70 -0.78 -1.09 1.74 -1.26 -4.99 116.66 108.23 1s3z n ARG 90 Ca -0.14 -1.12 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 1s3z n ARG 90 Cb 0.63 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 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 -0.32 0.57 0.08 -0.13 0.00 -1.26 -4.97 105.19 99.16 1s3z n GLY 91 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 1.08 -0.92 1.61 2.07 -1.94 -2.40 116.25 115.74 1s3z h VAL 92 Ca 0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1s3z h VAL 92 Cb 0.00 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1s3z h VAL 92 CO 0.00 0.13 0.53 0.00 0.02 0.00 0.00 177.57 178.25 1s3z h ALA 93 N 0.58 1.18 -0.42 1.67 0.00 -1.93 -0.25 119.26 120.09 1s3z h ALA 93 Ca -0.01 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1s3z h ALA 93 Cb 0.29 -0.37 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1s3z h ALA 93 CO 0.02 0.66 -0.07 -0.22 0.00 0.00 0.00 179.25 179.64 1s3z h LYS 94 N 1.28 0.03 -0.59 0.00 3.64 -1.94 0.18 116.57 119.18 1s3z h LYS 94 Ca 0.33 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 1s3z h LYS 94 Cb -0.01 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1s3z h LYS 94 CO -0.06 0.02 -0.03 1.96 -2.27 0.00 0.00 179.45 179.08 1s3z h GLN 95 N 0.04 1.05 -0.28 1.90 4.20 -0.88 -1.75 115.11 119.39 1s3z h GLN 95 Ca 0.20 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1s3z h GLN 95 Cb 0.31 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1s3z h GLN 95 CO -0.40 1.04 0.18 -0.07 -0.67 0.00 0.00 178.83 178.91 1s3z h LEU 96 N 0.95 0.31 -1.20 1.46 3.38 -0.20 -1.69 115.31 118.33 1s3z h LEU 96 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1s3z h LEU 96 Cb 0.58 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1s3z h LEU 96 CO 0.03 0.23 0.27 0.40 0.09 0.00 0.00 178.44 179.46 1s3z h ILE 97 N 0.37 1.20 -0.45 1.22 2.04 -0.55 -1.43 117.51 119.91 1s3z h ILE 97 Ca 0.10 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1s3z h ILE 97 Cb -0.04 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1s3z h ILE 97 CO -0.03 0.23 0.11 0.00 0.00 0.00 0.00 178.15 178.47 1s3z h ALA 98 N 1.47 1.36 -0.34 1.87 0.00 -1.01 0.87 119.26 123.48 1s3z h ALA 98 Ca 0.20 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1s3z h ALA 98 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1s3z h ALA 98 CO -0.02 0.46 -0.04 0.00 0.00 0.00 0.00 179.25 179.65 1s3z h ALA 99 N 1.47 0.47 -0.44 0.00 0.00 -0.64 -0.61 119.26 119.51 1s3z h ALA 99 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1s3z h ALA 99 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1s3z h ALA 99 CO -0.00 0.26 0.23 0.28 0.00 0.00 0.00 179.25 180.02 1s3z h VAL 100 N 0.43 1.17 -0.65 0.00 2.07 -0.74 -1.15 116.25 117.37 1s3z h VAL 100 Ca 0.09 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1s3z h VAL 100 Cb 0.51 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1s3z h VAL 100 CO 0.02 0.18 0.43 -0.61 0.02 0.00 0.00 177.57 177.61 1s3z h GLN 101 N 0.58 0.87 -0.28 1.57 4.15 -0.74 0.58 115.11 121.84 1s3z h GLN 101 Ca 0.15 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1s3z h GLN 101 Cb 0.08 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1s3z h GLN 101 CO -0.02 0.58 0.12 -0.09 -1.93 0.00 0.00 178.83 177.49 1s3z h ARG 102 N 0.89 0.42 -0.18 1.69 2.43 -0.88 0.18 114.38 118.92 1s3z h ARG 102 Ca 0.24 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1s3z h ARG 102 Cb -0.09 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1s3z h ARG 102 CO -0.05 0.43 0.09 2.35 -1.51 0.00 0.00 179.97 181.28 1s3z h TRP 103 N 0.31 0.16 -0.23 2.20 7.01 -0.78 -0.54 115.95 124.08 1s3z h TRP 103 Ca 0.09 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.99 1s3z h TRP 103 Cb 0.16 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1s3z h TRP 103 CO -0.01 0.09 -0.33 0.78 -2.79 0.00 0.00 178.44 176.19 1s3z h GLY 104 N 0.19 0.51 0.93 2.65 0.00 -0.57 -2.44 103.07 104.34 1s3z h GLY 104 Ca 0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1s3z h GLY 104 CO -0.05 0.42 0.14 -0.84 0.00 0.00 0.00 176.54 176.20 1s3z h THR 105 N 0.40 1.20 0.00 4.70 2.02 -0.41 0.35 112.91 121.18 1s3z h THR 105 Ca 0.05 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1s3z h THR 105 Cb 0.77 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1s3z h THR 105 CO 0.06 0.22 0.00 0.78 0.37 0.00 0.00 175.52 176.96 1s3z h ASN 106 N 0.46 0.00 -0.28 4.18 -0.26 -0.87 0.16 115.58 118.97 1s3z h ASN 106 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1s3z h ASN 106 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1s3z h ASN 106 CO -0.01 0.00 0.00 0.29 -1.06 0.00 0.00 177.43 176.65 1s3z n LYS 107 N -2.98 1.85 -0.96 0.81 4.01 -0.93 -4.94 118.16 115.02 1s3z n LYS 107 Ca -0.00 -1.30 0.00 0.00 -0.51 0.00 0.00 58.31 56.49 1s3z n LYS 107 Cb 0.21 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.37 1s3z n LYS 107 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1s3z n GLY 108 N 1.15 0.41 3.80 0.72 0.00 0.55 -5.04 105.19 106.78 1s3z n GLY 108 Ca 0.15 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 1.32 0.17 -4.02 0.00 1.74 -1.26 -4.40 116.66 110.21 1s3z n ARG 110 Ca -0.06 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.89 1s3z n ARG 110 Cb 0.50 -1.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.27 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 -3.12 0.36 -0.07 5.56 2.02 -1.26 -5.09 118.70 117.10 1s3z s GLU 111 Ca 0.06 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.58 1s3z s GLU 111 Cb 0.15 -0.12 -0.02 0.00 0.10 0.00 0.00 34.13 34.24 1s3z s GLU 111 CO 0.80 0.02 -0.20 1.41 0.02 0.00 0.00 175.26 177.31 1s3z s MET 112 N -1.09 2.71 0.29 1.61 -2.45 -1.26 -1.44 119.30 117.68 1s3z s MET 112 Ca -0.09 -0.80 0.02 0.00 -1.25 0.00 0.00 55.69 53.57 1s3z s MET 112 Cb -0.07 -2.32 -0.05 0.00 1.25 0.00 0.00 34.83 33.63 1s3z s MET 112 CO -0.00 0.41 0.09 0.00 1.05 0.00 0.00 175.02 176.57 1s3z s ALA 113 N -0.21 1.99 0.17 4.11 0.00 0.08 -4.96 121.76 122.94 1s3z s ALA 113 Ca -0.01 -1.89 -0.24 0.00 0.00 0.00 0.00 51.96 49.82 1s3z s ALA 113 Cb -0.13 0.93 0.06 0.00 0.00 0.00 0.00 23.12 23.97 1s3z s ALA 113 CO 0.03 -0.41 0.84 0.45 0.00 0.00 0.00 175.76 176.67 1s3z s SER 114 N -3.38 -0.27 0.08 0.00 0.15 -1.26 -0.40 113.70 108.61 1s3z s SER 114 Ca 0.37 -0.36 -0.07 0.00 0.70 0.00 0.00 55.95 56.58 1s3z s SER 114 Cb 0.08 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.93 1s3z s SER 114 CO 0.15 -0.99 0.15 1.51 1.20 0.00 0.00 173.24 175.25 1s3z s ASP 115 N -2.85 0.18 0.10 5.45 -4.77 -1.26 -5.00 116.67 108.52 1s3z s ASP 115 Ca 0.10 -0.70 -0.25 0.00 -3.30 0.00 0.00 52.55 48.40 1s3z s ASP 115 Cb -0.03 0.31 0.07 0.00 -1.09 0.00 0.00 42.92 42.19 1s3z s ASP 115 CO 0.00 -0.70 0.61 0.28 0.70 0.00 0.00 175.17 176.07 1s3z s THR 116 N -3.81 0.00 0.41 2.11 -1.32 -1.26 -5.05 115.64 106.72 1s3z s THR 116 Ca 0.05 -0.02 -0.26 0.00 -1.21 0.00 0.00 61.69 60.25 1s3z s THR 116 Cb 0.05 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 1s3z s THR 116 CO -0.11 -0.01 1.39 -0.55 -2.21 0.00 0.00 174.62 173.13 1s3z s SER 117 N -2.32 6.17 0.59 8.08 0.15 -1.26 -4.88 113.70 120.24 1s3z s SER 117 Ca -0.02 2.84 0.30 0.00 0.70 0.00 0.00 55.95 59.77 1s3z s SER 117 Cb -0.01 -2.65 1.84 0.00 -1.71 0.00 0.00 66.02 63.49 1s3z s SER 117 CO -0.07 -0.96 2.26 -0.65 1.20 0.00 0.00 173.24 175.02 1s3z h PRO 118 N 2.65 0.00 0.00 5.44 0.11 -2.01 0.11 132.00 138.30 1s3z h PRO 118 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1s3z h PRO 118 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1s3z h PRO 118 CO 0.62 0.00 -0.06 0.93 -0.21 0.00 0.00 178.00 179.29 1s3z h GLU 119 N 0.00 0.00 -6.00 1.05 5.08 -2.07 -3.41 114.58 109.23 1s3z h GLU 119 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1s3z h GLU 119 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.15 1s3z h GLU 119 CO -0.00 0.00 1.45 1.21 -1.00 0.00 0.00 179.01 180.67 1s3z s ASN 120 N -5.59 6.52 0.16 1.42 3.84 0.39 -4.83 114.94 116.86 1s3z s ASN 120 Ca 0.08 -1.53 -0.08 0.00 0.21 0.00 0.00 52.86 51.54 1s3z s ASN 120 Cb 0.08 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.25 1s3z s ASN 120 CO 0.65 -1.46 1.50 0.71 -2.79 0.00 0.00 177.10 175.71 1s3z h THR 121 N 6.68 1.28 -0.68 -5.21 1.35 -1.83 -2.66 112.91 111.85 1s3z h THR 121 Ca 0.20 -1.60 -0.06 0.00 -0.55 0.00 0.00 66.41 64.40 1s3z h THR 121 Cb 1.01 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 68.88 1s3z h THR 121 CO 1.40 0.53 0.19 0.40 -0.25 0.00 0.00 175.52 177.78 1s3z h ILE 122 N 0.66 1.26 -0.81 6.82 2.04 -1.98 -1.93 117.51 123.57 1s3z h ILE 122 Ca 0.05 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.02 1s3z h ILE 122 Cb 1.00 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1s3z h ILE 122 CO 0.10 0.35 0.53 -1.28 0.00 0.00 0.00 178.15 177.84 1s3z h SER 123 N 1.00 0.88 -0.48 1.72 0.87 -1.94 0.27 113.55 115.87 1s3z h SER 123 Ca 0.21 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1s3z h SER 123 Cb 0.34 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1s3z h SER 123 CO -0.00 0.61 0.28 1.56 -0.53 0.00 0.00 176.83 178.76 1s3z h GLN 124 N 1.03 0.65 -0.64 2.24 4.20 -1.13 0.16 115.11 121.63 1s3z h GLN 124 Ca 0.32 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 1s3z h GLN 124 Cb -0.02 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1s3z h GLN 124 CO -0.10 0.49 0.31 0.87 -0.67 0.00 0.00 178.83 179.72 1s3z h LYS 125 N 0.64 0.93 -0.14 1.46 1.57 -0.54 -1.20 116.57 119.28 1s3z h LYS 125 Ca 0.17 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1s3z h LYS 125 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1s3z h LYS 125 CO -0.03 0.74 0.06 0.28 -0.57 0.00 0.00 179.45 179.93 1s3z h VAL 126 N 0.89 1.15 -0.68 0.50 2.07 -0.06 0.32 116.25 120.44 1s3z h VAL 126 Ca 0.22 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1s3z h VAL 126 Cb 0.12 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1s3z h VAL 126 CO -0.03 0.14 0.43 0.45 0.02 0.00 0.00 177.57 178.58 1s3z h HIS 127 N 0.08 0.81 -0.37 1.57 3.86 -0.31 -0.57 115.15 120.21 1s3z h HIS 127 Ca 0.05 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.12 1s3z h HIS 127 Cb 0.16 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1s3z h HIS 127 CO -0.02 0.47 -0.41 1.96 0.86 0.00 0.00 177.93 180.79 1s3z h GLN 128 N 0.85 0.93 -0.36 2.45 4.20 -1.03 -1.94 115.11 120.21 1s3z h GLN 128 Ca 0.27 -0.50 0.03 0.00 0.06 0.00 0.00 58.65 58.51 1s3z h GLN 128 Cb -0.00 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1s3z h GLN 128 CO -0.10 1.16 0.24 0.00 -0.67 0.00 0.00 178.83 179.46 1s3z h ALA 129 N 0.77 1.90 -0.36 3.87 0.00 -0.01 -0.89 119.26 124.55 1s3z h ALA 129 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s3z h ALA 129 Cb 1.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1s3z h ALA 129 CO 0.10 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1s3z n LEU 130 N -4.48 2.80 0.00 0.00 4.77 -0.25 -4.91 117.00 114.93 1s3z n LEU 130 Ca 0.04 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 1s3z n LEU 130 Cb 0.17 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1s3z n LEU 130 CO 0.35 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1s3z n GLY 131 N 0.76 0.80 3.87 -0.72 0.00 -0.34 -5.05 105.19 104.51 1s3z n GLY 131 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.14 3.47 0.02 1.61 0.40 -0.79 -5.03 117.98 115.51 1s3z s PHE 132 Ca 0.00 0.93 0.06 0.00 -0.60 0.00 0.00 56.93 57.32 1s3z s PHE 132 Cb 0.00 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 1s3z s PHE 132 CO 0.00 0.31 -0.18 -1.21 0.70 0.00 0.00 175.22 174.84 1s3z s GLU 133 N -2.58 2.17 0.22 0.44 2.02 -1.26 -4.21 118.70 115.50 1s3z s GLU 133 Ca 0.45 -0.91 -0.30 0.00 0.02 0.00 0.00 54.97 54.22 1s3z s GLU 133 Cb -0.12 -2.22 -0.10 0.00 0.10 0.00 0.00 34.13 31.80 1s3z s GLU 133 CO 0.20 0.56 1.41 -2.00 0.02 0.00 0.00 175.26 175.45 1s3z s GLU 134 N -1.21 4.30 -0.12 1.61 2.12 -1.26 -4.95 118.70 119.20 1s3z s GLU 134 Ca 0.14 2.22 -0.03 0.00 0.36 0.00 0.00 54.97 57.66 1s3z s GLU 134 Cb -0.10 -3.15 -0.06 0.00 0.26 0.00 0.00 34.13 31.08 1s3z s GLU 134 CO 0.04 -0.39 -0.13 0.25 -0.54 0.00 0.00 175.26 174.49 1s3z n THR 135 N 2.66 0.65 -3.69 -1.70 -2.24 -1.26 -5.10 114.28 103.60 1s3z n THR 135 Ca 0.07 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.57 1s3z n THR 135 Cb 0.41 -1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 1s3z n THR 135 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1s3z s GLU 136 N -2.22 1.42 -0.01 -0.78 -1.05 -1.26 -4.96 118.70 109.83 1s3z s GLU 136 Ca -0.16 -0.71 0.05 0.00 -0.15 0.00 0.00 54.97 53.99 1s3z s GLU 136 Cb 0.05 0.53 -0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1s3z s GLU 136 CO 0.23 -0.64 -0.15 1.03 0.95 0.00 0.00 175.26 176.68 1s3z s ARG 137 N -3.64 1.27 0.10 -4.83 0.52 -1.26 -5.04 118.95 106.08 1s3z s ARG 137 Ca 0.08 -0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 54.70 1s3z s ARG 137 Cb -0.03 -1.22 -0.02 0.00 0.52 0.00 0.00 34.95 34.20 1s3z s ARG 137 CO -0.01 0.32 0.13 0.14 0.02 0.00 0.00 175.30 175.90 1s3z s VAL 138 N -0.31 0.14 -0.17 3.52 -7.23 -1.26 -5.14 120.40 109.95 1s3z s VAL 138 Ca 0.05 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 58.64 1s3z s VAL 138 Cb -0.06 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 1s3z s VAL 138 CO -0.00 -0.63 0.02 -0.63 -0.31 0.00 0.00 175.10 173.55 1s3z s ILE 139 N -3.93 4.42 0.16 -0.62 1.01 -1.26 -5.11 121.20 115.87 1s3z s ILE 139 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1s3z s ILE 139 Cb 0.06 -2.97 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 1s3z s ILE 139 CO -0.06 0.47 0.40 -0.36 0.00 0.00 0.00 174.94 175.39 1s3z s PHE 140 N 0.38 3.47 0.10 3.97 0.40 -1.26 -5.10 117.98 119.94 1s3z s PHE 140 Ca 0.00 0.58 0.06 0.00 -0.60 0.00 0.00 56.93 56.97 1s3z s PHE 140 Cb -0.13 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 1s3z s PHE 140 CO 0.01 0.41 -0.15 0.71 0.70 0.00 0.00 175.22 176.90 1s3z s TYR 141 N -1.70 1.40 0.01 0.36 2.02 -1.26 -5.16 117.35 113.03 1s3z s TYR 141 Ca 0.42 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 1s3z s TYR 141 Cb -0.12 -0.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.68 1s3z s TYR 141 CO 0.25 0.13 -0.02 0.50 -1.57 0.00 0.00 175.55 174.83 1s3z s ARG 142 N -2.24 0.19 -0.11 -0.62 3.52 -1.26 -5.14 118.95 113.29 1s3z s ARG 142 Ca 0.05 -0.36 -0.05 0.00 -0.13 0.00 0.00 55.73 55.24 1s3z s ARG 142 Cb -0.07 0.06 0.05 0.00 -1.56 0.00 0.00 34.95 33.42 1s3z s ARG 142 CO 0.03 -0.03 0.24 0.21 -0.81 0.00 0.00 175.30 174.94 1s3z s LYS 143 N -0.87 0.19 0.38 5.12 2.20 -1.26 -5.14 119.74 120.36 1s3z s LYS 143 Ca -0.09 0.55 -0.27 0.00 -0.36 0.00 0.00 55.97 55.80 1s3z s LYS 143 Cb -0.06 -0.12 -0.10 0.00 -1.51 0.00 0.00 37.83 36.05 1s3z s LYS 143 CO -0.01 -0.18 1.34 0.50 -0.36 0.00 0.00 175.35 176.64 1s3z s ARG 144 N 1.44 4.10 0.00 4.03 3.52 -1.26 -5.38 118.95 125.40 1s3z s ARG 144 Ca -0.08 2.27 0.29 0.00 -0.13 0.00 0.00 55.73 58.08 1s3z s ARG 144 Cb -0.11 -2.89 1.17 0.00 -1.56 0.00 0.00 34.95 31.57 1s3z s ARG 144 CO -0.08 -0.43 1.81 0.00 -0.81 0.00 0.00 175.30 175.79