#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3f s ASP 2 N 0.00 6.73 0.09 7.83 2.15 -1.26 -4.40 116.67 127.81 1u3f s ASP 2 Ca 0.00 2.63 -0.28 0.00 0.43 0.00 0.00 52.55 55.33 1u3f s ASP 2 Cb 0.00 -2.63 -0.11 0.00 -0.30 0.00 0.00 42.92 39.88 1u3f s ASP 2 CO 0.00 -0.61 1.44 0.11 -0.17 0.00 0.00 175.17 175.94 1u3f h LYS 3 N 4.52 -0.55 -0.72 4.34 1.57 -1.97 0.28 116.57 124.03 1u3f h LYS 3 Ca -0.47 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 58.51 1u3f h LYS 3 Cb 1.22 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 33.53 1u3f h LYS 3 CO 0.73 -0.37 0.00 -0.91 -0.57 0.00 0.00 179.45 178.33 1u3f h ASN 4 N -0.58 -0.34 -0.48 0.86 4.21 -1.99 0.82 115.58 118.09 1u3f h ASN 4 Ca 0.00 0.19 -0.05 0.00 1.21 0.00 0.00 56.30 57.65 1u3f h ASN 4 Cb 0.60 0.33 -0.02 0.00 -1.12 0.00 0.00 38.32 38.11 1u3f h ASN 4 CO -0.26 -0.16 0.12 0.00 -1.29 0.00 0.00 177.43 175.84 1u3f h ALA 5 N 1.68 0.63 -0.56 -0.83 0.00 -1.87 -2.81 119.26 115.50 1u3f h ALA 5 Ca 0.39 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1u3f h ALA 5 Cb 0.67 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1u3f h ALA 5 CO -0.64 0.32 0.15 1.25 0.00 0.00 0.00 179.25 180.33 1u3f h LEU 6 N 0.65 0.79 0.45 0.00 5.85 0.42 -2.37 115.31 121.10 1u3f h LEU 6 Ca 0.15 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1u3f h LEU 6 Cb 0.32 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1u3f h LEU 6 CO 0.00 0.76 -0.47 0.03 -0.34 0.00 0.00 178.44 178.43 1u3f h ARG 7 N 0.82 -0.90 -0.78 1.25 3.08 -0.66 -2.48 114.38 114.72 1u3f h ARG 7 Ca 0.18 0.06 0.17 0.00 0.07 0.00 0.00 59.98 60.46 1u3f h ARG 7 Cb 0.28 0.20 -0.11 0.00 0.08 0.00 0.00 29.97 30.42 1u3f h ARG 7 CO -0.00 -0.60 0.25 0.87 -1.07 0.00 0.00 179.97 179.42 1u3f h LYS 8 N -0.93 0.34 0.00 0.04 1.79 -1.31 0.99 116.57 117.48 1u3f h LYS 8 Ca -0.05 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1u3f h LYS 8 Cb 0.82 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1u3f h LYS 8 CO -0.07 0.22 0.00 1.04 -1.08 0.00 0.00 179.45 179.56 1u3f n GLN 9 N -5.09 0.00 -0.28 3.15 6.02 -0.91 -1.85 117.38 118.42 1u3f n GLN 9 Ca 0.16 0.41 0.10 0.00 -0.01 0.00 0.00 57.00 57.65 1u3f n GLN 9 Cb 0.49 -1.32 0.25 0.00 1.02 0.00 0.00 30.24 30.68 1u3f n GLN 9 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1u3f h ILE 10 N 0.00 0.50 -0.81 5.09 2.04 -1.36 0.29 117.51 123.25 1u3f h ILE 10 Ca 0.00 -0.12 0.13 0.00 1.00 0.00 0.00 64.86 65.87 1u3f h ILE 10 Cb 0.00 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.10 1u3f h ILE 10 CO 0.00 0.07 0.40 -0.07 0.00 0.00 0.00 178.15 178.55 1u3f h LEU 11 N 0.36 0.49 -0.69 1.44 3.38 -0.76 -0.49 115.31 119.03 1u3f h LEU 11 Ca 0.50 0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.42 1u3f h LEU 11 Cb 0.89 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1u3f h LEU 11 CO -0.52 0.22 -0.42 -0.61 0.09 0.00 0.00 178.44 177.21 1u3f h GLN 12 N 0.60 0.52 -0.31 1.13 4.15 -0.19 -2.94 115.11 118.08 1u3f h GLN 12 Ca 0.43 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 1u3f h GLN 12 Cb 0.58 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1u3f h GLN 12 CO -0.34 0.85 -0.02 -0.22 -1.93 0.00 0.00 178.83 177.16 1u3f h LYS 13 N 0.43 0.55 0.00 1.69 3.64 -0.75 -3.05 116.57 119.09 1u3f h LYS 13 Ca 0.04 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1u3f h LYS 13 Cb 0.91 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1u3f h LYS 13 CO 0.08 0.71 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.73 1u3f h ARG 14 N 0.34 0.00 -0.11 1.90 2.43 -1.12 -1.54 114.38 116.28 1u3f h ARG 14 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1u3f h ARG 14 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1u3f h ARG 14 CO 0.02 0.15 0.00 0.00 -1.51 0.00 0.00 179.97 178.63 1u3f n MET 15 N -4.04 1.33 -0.00 0.20 0.00 -1.12 -3.23 117.12 110.25 1u3f n MET 15 Ca -0.02 -0.50 0.06 0.00 0.00 0.00 0.00 57.70 57.24 1u3f n MET 15 Cb 0.23 -1.21 -0.09 0.00 0.00 0.00 0.00 33.22 32.15 1u3f n MET 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1u3f n ALA 16 N -0.18 2.87 -1.63 3.17 0.00 -0.58 -5.02 120.51 119.14 1u3f n ALA 16 Ca 0.09 -0.33 -0.46 0.00 0.00 0.00 0.00 53.44 52.74 1u3f n ALA 16 Cb 0.15 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1u3f n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u3f n LEU 17 N -1.75 2.38 -4.77 0.00 4.77 -1.20 -4.94 117.00 111.50 1u3f n LEU 17 Ca -0.01 1.15 -0.35 0.00 -0.03 0.00 0.00 56.01 56.77 1u3f n LEU 17 Cb 0.30 -1.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.06 1u3f n LEU 17 CO 0.27 -0.92 0.79 -0.55 -1.33 0.00 0.00 177.39 175.66 1u3f s SER 18 N -0.00 5.62 0.42 -1.43 0.15 -1.26 -4.82 113.70 112.37 1u3f s SER 18 Ca 0.67 2.22 0.09 0.00 0.70 0.00 0.00 55.95 59.63 1u3f s SER 18 Cb -0.72 -2.58 0.89 0.00 -1.71 0.00 0.00 66.02 61.90 1u3f s SER 18 CO 0.53 -1.29 2.03 0.74 1.20 0.00 0.00 173.24 176.45 1u3f h THR 19 N 1.14 1.11 0.18 6.45 2.02 -1.99 0.24 112.91 122.05 1u3f h THR 19 Ca -0.50 -0.34 -0.29 0.00 0.77 0.00 0.00 66.41 66.05 1u3f h THR 19 Cb 1.27 0.79 0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1u3f h THR 19 CO 0.57 0.13 -1.37 0.40 0.37 0.00 0.00 175.52 175.62 1u3f h ILE 20 N 0.37 1.19 -0.30 3.11 5.03 -1.99 -2.89 117.51 122.03 1u3f h ILE 20 Ca 0.09 -2.53 0.01 0.00 -0.12 0.00 0.00 64.86 62.31 1u3f h ILE 20 Cb 0.08 2.93 -0.02 0.00 -3.03 0.00 0.00 36.82 36.79 1u3f h ILE 20 CO -0.01 0.77 0.19 -0.08 -0.68 0.00 0.00 178.15 178.34 1u3f h GLU 21 N -0.11 0.38 -0.63 2.37 4.57 -1.85 -2.20 114.58 117.11 1u3f h GLU 21 Ca -0.26 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.86 1u3f h GLU 21 Cb 1.92 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 30.39 1u3f h GLU 21 CO 0.17 0.25 0.27 -0.22 -1.18 0.00 0.00 179.01 178.30 1u3f h LYS 22 N 0.39 0.93 0.00 1.92 3.64 -0.66 -1.23 116.57 121.56 1u3f h LYS 22 Ca 0.11 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1u3f h LYS 22 Cb -0.03 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1u3f h LYS 22 CO -0.04 0.77 -0.15 1.03 -2.27 0.00 0.00 179.45 178.79 1u3f h SER 23 N 0.88 0.00 0.14 4.20 0.87 -1.28 0.13 113.55 118.49 1u3f h SER 23 Ca 0.21 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.56 1u3f h SER 23 Cb 0.17 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1u3f h SER 23 CO -0.02 0.15 -0.96 -0.74 -0.53 0.00 0.00 176.83 174.73 1u3f h HIS 24 N 0.00 0.54 -0.89 2.24 -0.00 -0.95 -2.77 115.15 113.32 1u3f h HIS 24 Ca -0.00 -0.39 0.04 0.00 -0.00 0.00 0.00 60.37 60.01 1u3f h HIS 24 Cb 0.37 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.70 1u3f h HIS 24 CO 0.00 1.37 0.58 -0.07 -0.00 0.00 0.00 177.93 179.81 1u3f h LEU 25 N -0.35 0.95 -1.27 0.26 4.07 -0.90 -1.22 115.31 116.85 1u3f h LEU 25 Ca -0.18 -0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.71 1u3f h LEU 25 Cb 1.68 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 43.20 1u3f h LEU 25 CO 0.14 0.65 -0.21 0.44 -1.08 0.00 0.00 178.44 178.38 1u3f h ASP 26 N 1.11 0.23 -0.30 -0.43 3.45 -1.04 -2.16 116.42 117.28 1u3f h ASP 26 Ca 0.36 -0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.70 1u3f h ASP 26 Cb 0.02 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 1u3f h ASP 26 CO -0.12 0.45 -0.07 1.56 -1.57 0.00 0.00 179.24 179.48 1u3f h GLN 27 N 0.22 0.57 -0.01 3.56 1.08 -0.94 0.42 115.11 120.01 1u3f h GLN 27 Ca 0.04 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1u3f h GLN 27 Cb 0.50 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1u3f h GLN 27 CO 0.03 0.77 0.00 0.87 -0.95 0.00 0.00 178.83 179.56 1u3f h LYS 28 N 0.34 0.01 -0.41 1.46 1.79 -1.18 -2.07 116.57 116.50 1u3f h LYS 28 Ca 0.07 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1u3f h LYS 28 Cb 0.56 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 1u3f h LYS 28 CO 0.03 0.06 0.24 0.82 -1.08 0.00 0.00 179.45 179.52 1u3f h ILE 29 N -0.04 1.14 -0.30 1.86 2.04 -1.32 -2.47 117.51 118.41 1u3f h ILE 29 Ca 0.00 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1u3f h ILE 29 Cb 0.05 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1u3f h ILE 29 CO -0.00 0.15 -0.03 0.78 0.00 0.00 0.00 178.15 179.04 1u3f h ASN 30 N 0.54 0.44 -0.59 1.72 4.21 -0.87 -1.76 115.58 119.27 1u3f h ASN 30 Ca 0.15 -0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 1u3f h ASN 30 Cb 0.02 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 1u3f h ASN 30 CO -0.03 0.54 0.35 1.56 -1.29 0.00 0.00 177.43 178.56 1u3f h GLN 31 N 0.45 0.81 -0.51 0.81 4.20 -1.04 -1.86 115.11 117.97 1u3f h GLN 31 Ca 0.10 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1u3f h GLN 31 Cb 0.35 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1u3f h GLN 31 CO 0.01 0.60 0.30 0.87 -0.67 0.00 0.00 178.83 179.94 1u3f h LYS 32 N 0.80 0.70 -0.21 1.46 1.57 -0.97 -0.67 116.57 119.25 1u3f h LYS 32 Ca 0.21 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1u3f h LYS 32 Cb 0.00 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.10 1u3f h LYS 32 CO -0.04 0.52 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.07 1u3f h LEU 33 N 0.68 -0.71 -0.67 2.94 4.07 -0.83 0.80 115.31 121.59 1u3f h LEU 33 Ca 0.18 0.13 0.06 0.00 0.08 0.00 0.00 57.88 58.33 1u3f h LEU 33 Cb 0.00 0.33 -0.06 0.00 1.08 0.00 0.00 40.66 42.02 1u3f h LEU 33 CO -0.03 -0.26 0.37 0.58 -1.08 0.00 0.00 178.44 178.01 1u3f h VAL 34 N -0.24 0.95 -0.92 1.22 2.07 -1.06 -0.41 116.25 117.87 1u3f h VAL 34 Ca 0.13 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1u3f h VAL 34 Cb 0.43 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1u3f h VAL 34 CO -0.35 0.12 0.58 0.00 0.02 0.00 0.00 177.57 177.94 1u3f h ALA 35 N 1.36 1.17 -0.48 1.67 0.00 0.60 -1.92 119.26 121.65 1u3f h ALA 35 Ca 0.31 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1u3f h ALA 35 Cb 0.21 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1u3f h ALA 35 CO -0.19 0.60 0.08 0.35 0.00 0.00 0.00 179.25 180.09 1u3f h PHE 36 N 1.26 0.84 0.00 0.00 3.57 0.18 -3.26 116.94 119.53 1u3f h PHE 36 Ca 0.33 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1u3f h PHE 36 Cb -0.10 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 1u3f h PHE 36 CO -0.00 0.77 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.59 1u3f h LEU 37 N 0.67 0.00 -0.20 0.59 3.38 -0.90 -3.38 115.31 115.47 1u3f h LEU 37 Ca 0.15 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1u3f h LEU 37 Cb 0.38 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1u3f h LEU 37 CO 0.01 0.19 -0.23 0.74 0.09 0.00 0.00 178.44 179.24 1u3f h THR 38 N 0.00 0.42 -0.18 0.22 2.02 -1.39 -1.94 112.91 112.06 1u3f h THR 38 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1u3f h THR 38 Cb 1.13 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1u3f h THR 38 CO 0.02 0.00 0.07 -0.81 0.37 0.00 0.00 175.52 175.18 1u3f n PRO 39 N -5.36 1.59 -3.38 6.66 -0.04 -1.26 -4.37 135.00 128.84 1u3f n PRO 39 Ca -0.02 -0.70 -0.26 0.00 -0.04 0.00 0.00 63.50 62.48 1u3f n PRO 39 Cb 0.28 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 1u3f n PRO 39 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u3f n LYS 40 N 0.13 0.90 0.00 0.54 5.02 -0.73 -4.96 118.16 119.06 1u3f n LYS 40 Ca 0.10 -3.55 0.10 0.00 -2.02 0.00 0.00 58.31 52.94 1u3f n LYS 40 Cb 0.61 -1.64 0.54 0.00 -0.02 0.00 0.00 35.03 34.52 1u3f n LYS 40 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1u3f n PRO 41 N 1.90 0.35 0.00 1.97 -0.04 -1.26 -2.84 135.00 135.08 1u3f n PRO 41 Ca 0.25 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 1u3f n PRO 41 Cb 0.48 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.95 1u3f n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u3f s ILE 43 N -2.48 4.38 -0.04 0.00 1.01 -1.13 -4.79 121.20 118.14 1u3f s ILE 43 Ca 0.27 -0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.87 1u3f s ILE 43 Cb 0.20 -4.61 -0.15 0.00 0.01 0.00 0.00 42.46 37.91 1u3f s ILE 43 CO 0.49 -1.29 0.18 0.29 0.00 0.00 0.00 174.94 174.60 1u3f n LYS 44 N 7.52 0.94 -4.29 2.79 5.02 -1.26 -4.85 118.16 124.03 1u3f n LYS 44 Ca -0.02 -0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 1u3f n LYS 44 Cb 0.46 -1.26 -0.17 0.00 -0.02 0.00 0.00 35.03 34.05 1u3f n LYS 44 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1u3f s THR 45 N -2.60 1.28 -0.02 -0.18 2.01 -1.26 0.62 115.64 115.49 1u3f s THR 45 Ca -0.04 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1u3f s THR 45 Cb 0.06 -1.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.36 1u3f s THR 45 CO 0.44 0.40 -0.12 -0.51 -0.69 0.00 0.00 174.62 174.14 1u3f s ILE 46 N 1.15 0.96 -0.12 1.82 2.07 0.90 -0.47 121.20 127.51 1u3f s ILE 46 Ca -0.04 -0.48 -0.21 0.00 -1.41 0.00 0.00 60.65 58.51 1u3f s ILE 46 Cb -0.14 -0.82 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1u3f s ILE 46 CO -0.03 0.28 0.60 0.00 -1.91 0.00 0.00 174.94 173.88 1u3f s ALA 47 N -0.03 3.45 0.00 1.50 0.00 0.37 -1.39 121.76 125.66 1u3f s ALA 47 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1u3f s ALA 47 Cb -0.07 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1u3f s ALA 47 CO 0.00 -0.20 0.00 1.28 0.00 0.00 0.00 175.76 176.84 1u3f n LEU 48 N 4.13 0.00 -3.49 0.00 4.77 -0.55 -0.78 117.00 121.07 1u3f n LEU 48 Ca -0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 1u3f n LEU 48 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1u3f n LEU 48 CO 0.45 0.00 0.43 -0.72 -1.33 0.00 0.00 177.39 176.22 1u3f s TYR 49 N 1.10 -0.47 -0.51 -1.77 -0.85 -1.26 -4.35 117.35 109.24 1u3f s TYR 49 Ca 0.00 0.23 -0.17 0.00 -0.52 0.00 0.00 57.07 56.61 1u3f s TYR 49 Cb 0.00 0.58 0.09 0.00 0.38 0.00 0.00 41.96 43.01 1u3f s TYR 49 CO 0.00 -0.89 0.49 -1.21 -1.52 0.00 0.00 175.55 172.42 1u3f s GLU 50 N -3.73 3.01 -0.06 -3.49 2.02 -1.26 -4.94 118.70 110.25 1u3f s GLU 50 Ca 0.03 -1.37 -0.40 0.00 0.02 0.00 0.00 54.97 53.25 1u3f s GLU 50 Cb -0.02 -4.19 -0.20 0.00 0.10 0.00 0.00 34.13 29.83 1u3f s GLU 50 CO -0.10 -1.19 1.11 -2.30 0.02 0.00 0.00 175.26 172.81 1u3f n PRO 51 N 5.48 0.00 0.00 0.39 -0.02 -1.26 -4.93 135.00 134.66 1u3f n PRO 51 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1u3f n PRO 51 Cb 0.43 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1u3f n PRO 51 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1u3f n ILE 52 N 1.78 0.00 -1.33 4.25 3.06 -1.26 -4.92 119.36 120.94 1u3f n ILE 52 Ca 0.21 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 60.07 1u3f n ILE 52 Cb 0.06 -0.01 -0.03 0.00 0.54 0.00 0.00 39.64 40.20 1u3f n ILE 52 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1u3f n LYS 53 N -0.03 3.56 -2.72 9.51 5.02 -1.26 -4.44 118.16 127.81 1u3f n LYS 53 Ca 0.00 -2.21 -0.14 0.00 -2.02 0.00 0.00 58.31 53.94 1u3f n LYS 53 Cb 0.00 -2.84 0.02 0.00 -0.02 0.00 0.00 35.03 32.20 1u3f n LYS 53 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1u3f n ASN 54 N 3.86 -4.38 -4.88 4.39 4.05 -1.26 -4.87 115.26 112.17 1u3f n ASN 54 Ca 0.75 -0.17 -0.30 0.00 0.45 0.00 0.00 54.58 55.31 1u3f n ASN 54 Cb 0.24 -3.26 0.07 0.00 1.23 0.00 0.00 39.78 38.06 1u3f n ASN 54 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1u3f s GLU 55 N -5.23 2.45 0.29 1.20 2.02 -1.26 -4.94 118.70 113.23 1u3f s GLU 55 Ca 0.18 0.34 -0.30 0.00 0.02 0.00 0.00 54.97 55.22 1u3f s GLU 55 Cb -0.08 -1.98 -0.12 0.00 0.10 0.00 0.00 34.13 32.04 1u3f s GLU 55 CO 0.23 -1.30 1.43 0.28 0.02 0.00 0.00 175.26 175.92 1u3f n VAL 56 N -3.16 1.35 -3.97 2.63 0.31 -1.26 -4.81 118.33 109.42 1u3f n VAL 56 Ca 0.07 -0.34 -0.35 0.00 -0.01 0.00 0.00 64.34 63.72 1u3f n VAL 56 Cb 0.59 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 1u3f n VAL 56 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1u3f s THR 57 N -0.42 5.25 -0.19 2.52 2.01 -1.26 -4.71 115.64 118.84 1u3f s THR 57 Ca 0.62 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.33 1u3f s THR 57 Cb -0.57 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1u3f s THR 57 CO 0.54 0.45 0.63 -0.36 -0.69 0.00 0.00 174.62 175.20 1u3f s PHE 58 N -1.17 3.39 0.58 4.92 0.40 -1.26 -4.87 117.98 119.97 1u3f s PHE 58 Ca 0.21 0.95 0.02 0.00 -0.60 0.00 0.00 56.93 57.51 1u3f s PHE 58 Cb -0.12 -2.80 0.05 0.00 0.51 0.00 0.00 43.02 40.66 1u3f s PHE 58 CO 0.12 -0.16 0.81 0.54 0.70 0.00 0.00 175.22 177.23 1u3f s VAL 59 N 1.83 2.55 0.16 -0.44 0.11 -1.26 -4.98 120.40 118.38 1u3f s VAL 59 Ca 0.29 -0.68 -0.16 0.00 -2.93 0.00 0.00 61.98 58.50 1u3f s VAL 59 Cb -0.16 -2.87 0.07 0.00 -1.53 0.00 0.00 36.38 31.89 1u3f s VAL 59 CO 0.11 0.00 1.69 -2.24 -3.33 0.00 0.00 175.10 171.33 1u3f h ASP 60 N -0.02 -0.21 0.55 3.54 2.03 -2.00 -2.25 116.42 118.06 1u3f h ASP 60 Ca -0.40 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1u3f h ASP 60 Cb 1.29 0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.97 1u3f h ASP 60 CO 0.49 -0.06 0.00 2.22 -1.03 0.00 0.00 179.24 180.86 1u3f n PHE 61 N -5.22 0.65 0.03 4.15 1.16 -1.26 -1.70 117.46 115.27 1u3f n PHE 61 Ca 0.02 0.27 -0.19 0.00 -1.87 0.00 0.00 57.45 55.68 1u3f n PHE 61 Cb 0.21 -0.94 -0.14 0.00 -1.61 0.00 0.00 39.48 37.00 1u3f n PHE 61 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1u3f h PHE 62 N 0.00 0.47 0.00 2.97 3.57 -1.78 -2.78 116.94 119.40 1u3f h PHE 62 Ca 0.00 -0.34 -0.02 0.00 3.53 0.00 0.00 57.97 61.14 1u3f h PHE 62 Cb 0.28 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1u3f h PHE 62 CO 0.00 1.30 -0.08 0.74 -2.23 0.00 0.00 178.31 178.04 1u3f h PHE 63 N -0.45 0.00 0.07 0.41 -1.00 -1.20 -2.17 116.94 112.61 1u3f h PHE 63 Ca -0.14 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.37 1u3f h PHE 63 Cb 1.58 0.00 0.02 0.00 3.61 0.00 0.00 35.95 41.15 1u3f h PHE 63 CO 0.20 0.08 -1.14 1.49 -1.61 0.00 0.00 178.31 177.33 1u3f h GLU 64 N 0.00 0.55 -0.17 1.51 4.57 -1.37 -1.80 114.58 117.87 1u3f h GLU 64 Ca -0.00 -0.68 0.02 0.00 -1.18 0.00 0.00 59.36 57.52 1u3f h GLU 64 Cb 0.43 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1u3f h GLU 64 CO 0.01 1.28 0.04 0.35 -1.18 0.00 0.00 179.01 179.51 1u3f h PHE 65 N 0.26 0.07 -0.40 0.92 3.57 -1.11 0.34 116.94 120.60 1u3f h PHE 65 Ca -0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1u3f h PHE 65 Cb 1.80 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 1u3f h PHE 65 CO 0.09 0.03 0.21 -0.07 -2.23 0.00 0.00 178.31 176.34 1u3f h LEU 66 N 0.11 0.50 -0.53 0.59 3.38 -1.45 -2.09 115.31 115.82 1u3f h LEU 66 Ca 0.07 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1u3f h LEU 66 Cb 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1u3f h LEU 66 CO -0.09 0.46 0.28 0.50 0.09 0.00 0.00 178.44 179.68 1u3f h LYS 67 N 0.51 0.53 0.00 1.13 3.64 -0.88 -1.06 116.57 120.44 1u3f h LYS 67 Ca 0.14 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1u3f h LYS 67 Cb 0.07 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1u3f h LYS 67 CO -0.02 0.35 -0.02 0.97 -2.27 0.00 0.00 179.45 178.46 1u3f h ILE 68 N 0.55 0.05 -0.48 2.00 2.10 -0.77 -2.99 117.51 117.97 1u3f h ILE 68 Ca 0.23 -0.76 0.00 0.00 1.08 0.00 0.00 64.86 65.40 1u3f h ILE 68 Cb 0.11 1.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 1u3f h ILE 68 CO -0.14 0.02 0.00 0.59 -1.08 0.00 0.00 178.15 177.54 1u3f n ASN 69 N -3.11 3.38 -3.59 2.19 4.13 -0.80 -4.98 115.26 112.48 1u3f n ASN 69 Ca 0.02 -1.96 -0.20 0.00 1.68 0.00 0.00 54.58 54.12 1u3f n ASN 69 Cb 0.40 -0.32 0.06 0.00 -1.54 0.00 0.00 39.78 38.39 1u3f n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u3f n GLN 70 N 1.20 -6.04 -3.70 3.52 6.02 -0.57 -4.98 117.38 112.83 1u3f n GLN 70 Ca 0.18 0.74 -0.38 0.00 -0.01 0.00 0.00 57.00 57.53 1u3f n GLN 70 Cb 0.53 -5.58 -0.12 0.00 1.02 0.00 0.00 30.24 26.09 1u3f n GLN 70 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1u3f s ILE 71 N -3.47 4.44 0.15 5.09 1.01 -0.51 -4.90 121.20 123.01 1u3f s ILE 71 Ca 0.11 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1u3f s ILE 71 Cb -0.05 -3.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.13 1u3f s ILE 71 CO 0.77 0.14 1.10 -0.60 0.00 0.00 0.00 174.94 176.35 1u3f s ARG 72 N 1.60 4.58 -0.13 2.79 3.52 0.20 -4.60 118.95 126.90 1u3f s ARG 72 Ca 0.05 1.70 -0.06 0.00 -0.13 0.00 0.00 55.73 57.29 1u3f s ARG 72 Cb -0.17 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 1u3f s ARG 72 CO 0.05 0.03 0.07 0.00 -0.81 0.00 0.00 175.30 174.64 1u3f s ALA 73 N 0.01 3.51 0.07 6.12 0.00 -1.26 -0.07 121.76 130.15 1u3f s ALA 73 Ca 0.51 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.82 1u3f s ALA 73 Cb -0.29 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1u3f s ALA 73 CO 0.33 0.44 -0.22 0.14 0.00 0.00 0.00 175.76 176.46 1u3f s VAL 74 N -0.45 1.77 0.16 0.00 -7.23 -0.48 -4.31 120.40 109.86 1u3f s VAL 74 Ca 0.10 -1.36 0.11 0.00 -1.81 0.00 0.00 61.98 59.01 1u3f s VAL 74 Cb -0.12 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1u3f s VAL 74 CO 0.02 0.13 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.39 1u3f s TYR 75 N -0.93 2.22 0.41 2.82 1.51 -0.02 -1.48 117.35 121.88 1u3f s TYR 75 Ca 0.08 -0.38 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 1u3f s TYR 75 Cb -0.09 -1.14 -0.10 0.00 -0.11 0.00 0.00 41.96 40.51 1u3f s TYR 75 CO 0.03 0.41 0.97 -1.25 -1.11 0.00 0.00 175.55 174.59 1u3f s PRO 76 N -2.42 4.24 -0.03 -1.71 0.04 -1.26 -1.55 135.00 132.32 1u3f s PRO 76 Ca 0.17 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.41 1u3f s PRO 76 Cb -0.09 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.15 1u3f s PRO 76 CO 0.08 -0.03 0.06 0.15 0.04 0.00 0.00 177.00 177.30 1u3f s LYS 77 N -2.92 0.05 0.13 4.56 -0.14 0.76 -4.95 119.74 117.23 1u3f s LYS 77 Ca 0.60 0.14 -0.12 0.00 -1.36 0.00 0.00 55.97 55.23 1u3f s LYS 77 Cb -0.13 -0.05 -0.07 0.00 -1.68 0.00 0.00 37.83 35.91 1u3f s LYS 77 CO 0.17 -0.06 0.49 0.54 -0.76 0.00 0.00 175.35 175.73 1u3f s VAL 78 N 0.38 4.95 0.00 3.17 0.11 -1.26 -0.36 120.40 127.39 1u3f s VAL 78 Ca -0.03 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1u3f s VAL 78 Cb -0.04 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1u3f s VAL 78 CO -0.01 0.23 0.00 -0.38 -3.33 0.00 0.00 175.10 171.60 1u3f n ILE 79 N 0.74 0.00 -4.16 7.04 5.41 -0.83 -4.95 119.36 122.61 1u3f n ILE 79 Ca -0.06 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.53 1u3f n ILE 79 Cb 0.52 -0.19 -0.05 0.00 -0.71 0.00 0.00 39.64 39.21 1u3f n ILE 79 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1u3f s SER 80 N -2.21 1.21 0.00 4.38 1.04 -1.22 -4.97 113.70 111.93 1u3f s SER 80 Ca 0.00 -1.59 0.19 0.00 0.48 0.00 0.00 55.95 55.02 1u3f s SER 80 Cb 0.00 0.63 1.11 0.00 0.10 0.00 0.00 66.02 67.86 1u3f s SER 80 CO 0.00 -1.22 1.54 -0.90 0.98 0.00 0.00 173.24 173.63 1u3f n ASP 81 N -1.48 0.00 0.00 7.02 5.68 -1.26 -3.46 116.55 123.05 1u3f n ASP 81 Ca 0.03 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.53 1u3f n ASP 81 Cb 0.62 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1u3f n ASP 81 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1u3f n THR 82 N -0.92 0.00 -4.35 2.12 -2.24 -1.26 -4.95 114.28 102.68 1u3f n THR 82 Ca 0.14 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.56 1u3f n THR 82 Cb 0.06 0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 1u3f n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1u3f s GLU 83 N -0.43 2.86 0.02 -0.78 2.02 -1.22 -4.62 118.70 116.54 1u3f s GLU 83 Ca 0.00 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.48 1u3f s GLU 83 Cb 0.00 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.51 1u3f s GLU 83 CO 0.00 0.66 -0.07 -1.50 0.02 0.00 0.00 175.26 174.36 1u3f s ILE 84 N -0.99 0.54 0.22 -1.63 2.07 -1.26 -1.97 121.20 118.17 1u3f s ILE 84 Ca 0.17 -0.70 0.03 0.00 -1.41 0.00 0.00 60.65 58.73 1u3f s ILE 84 Cb -0.11 -0.53 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 1u3f s ILE 84 CO 0.07 -0.13 -0.00 0.27 -1.91 0.00 0.00 174.94 173.23 1u3f s ILE 85 N -0.79 0.93 -0.02 2.00 -4.36 0.52 -4.93 121.20 114.55 1u3f s ILE 85 Ca -0.04 -2.02 0.07 0.00 -0.26 0.00 0.00 60.65 58.40 1u3f s ILE 85 Cb -0.06 -2.29 -0.02 0.00 1.25 0.00 0.00 42.46 41.34 1u3f s ILE 85 CO 0.00 -0.36 -0.22 -0.36 0.24 0.00 0.00 174.94 174.24 1u3f s PHE 86 N -3.49 2.45 0.05 1.37 0.40 -1.26 -0.17 117.98 117.33 1u3f s PHE 86 Ca 0.27 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1u3f s PHE 86 Cb 0.06 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1u3f s PHE 86 CO 0.08 0.05 -0.05 0.96 0.70 0.00 0.00 175.22 176.95 1u3f s ILE 87 N -0.67 0.40 0.73 0.64 -5.25 -0.59 -0.43 121.20 116.03 1u3f s ILE 87 Ca 0.11 -1.48 -0.01 0.00 -0.99 0.00 0.00 60.65 58.28 1u3f s ILE 87 Cb -0.10 -1.08 0.13 0.00 2.95 0.00 0.00 42.46 44.36 1u3f s ILE 87 CO -0.00 -0.71 1.01 1.51 -1.79 0.00 0.00 174.94 174.95 1u3f s ASP 88 N -2.33 4.28 0.29 4.36 3.84 -0.32 -0.84 116.67 125.96 1u3f s ASP 88 Ca -0.01 -0.40 0.05 0.00 -0.00 0.00 0.00 52.55 52.19 1u3f s ASP 88 Cb -0.01 0.05 0.74 0.00 -1.38 0.00 0.00 42.92 42.32 1u3f s ASP 88 CO -0.04 -1.91 1.72 0.06 -0.00 0.00 0.00 175.17 175.00 1u3f h GLN 89 N -0.56 0.50 -1.00 2.11 3.07 -1.91 0.13 115.11 117.45 1u3f h GLN 89 Ca -0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.35 1u3f h GLN 89 Cb 1.26 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 28.71 1u3f h GLN 89 CO 0.39 0.33 0.01 0.39 0.09 0.00 0.00 178.83 180.04 1u3f n GLU 90 N -4.95 1.05 -1.10 0.06 4.71 -1.26 -4.83 120.64 114.33 1u3f n GLU 90 Ca 0.23 -0.07 -0.05 0.00 -0.01 0.00 0.00 57.16 57.26 1u3f n GLU 90 Cb 0.63 -1.24 -0.02 0.00 -1.01 0.00 0.00 31.44 29.80 1u3f n GLU 90 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1u3f n THR 91 N 0.27 0.00 -2.49 2.62 -2.24 0.47 -4.94 114.28 107.96 1u3f n THR 91 Ca 0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1u3f n THR 91 Cb 0.41 -1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 1u3f n THR 91 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1u3f s ASN 92 N -2.06 7.14 -0.02 3.42 0.01 -1.25 -4.75 114.94 117.42 1u3f s ASN 92 Ca 0.00 1.89 -0.30 0.00 -0.71 0.00 0.00 52.86 53.74 1u3f s ASN 92 Cb 0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 1u3f s ASN 92 CO 0.00 -0.45 0.98 -0.89 -1.51 0.00 0.00 177.10 175.23 1u3f s THR 93 N 1.32 4.86 -0.21 1.60 2.01 -1.26 -1.18 115.64 122.77 1u3f s THR 93 Ca 0.56 2.04 -0.06 0.00 0.31 0.00 0.00 61.69 64.54 1u3f s THR 93 Cb -0.26 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 67.91 1u3f s THR 93 CO 0.27 0.13 0.03 -0.36 -0.69 0.00 0.00 174.62 174.00 1u3f s PHE 94 N 1.22 3.07 0.71 4.92 0.40 0.43 -4.98 117.98 123.75 1u3f s PHE 94 Ca 0.51 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 56.30 1u3f s PHE 94 Cb -0.20 -2.13 0.03 0.00 0.51 0.00 0.00 43.02 41.22 1u3f s PHE 94 CO 0.26 -0.24 1.13 -1.21 0.70 0.00 0.00 175.22 175.86 1u3f s GLU 95 N 1.12 2.46 0.28 0.44 0.41 -1.26 -4.29 118.70 117.86 1u3f s GLU 95 Ca 0.03 1.45 -0.06 0.00 -0.41 0.00 0.00 54.97 55.98 1u3f s GLU 95 Cb -0.14 -1.90 0.51 0.00 -1.78 0.00 0.00 34.13 30.81 1u3f s GLU 95 CO 0.02 -1.52 1.57 -1.35 -0.49 0.00 0.00 175.26 173.49 1u3f h PRO 96 N -0.34 0.00 -0.79 0.39 0.11 -1.96 0.32 132.00 129.74 1u3f h PRO 96 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1u3f h PRO 96 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1u3f h PRO 96 CO 0.52 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.40 1u3f n ASN 97 N -5.57 2.55 -0.31 -2.05 3.02 -1.26 -2.74 115.26 108.89 1u3f n ASN 97 Ca 0.17 -2.30 0.08 0.00 -0.03 0.00 0.00 54.58 52.50 1u3f n ASN 97 Cb 0.55 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1u3f n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u3f n GLN 98 N 0.23 1.67 -4.19 3.52 6.02 0.10 -4.91 117.38 119.81 1u3f n GLN 98 Ca 0.10 -0.68 -0.35 0.00 -0.01 0.00 0.00 57.00 56.06 1u3f n GLN 98 Cb 0.55 -1.28 -0.09 0.00 1.02 0.00 0.00 30.24 30.44 1u3f n GLN 98 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1u3f s ILE 99 N -2.04 4.69 -0.24 5.09 1.01 -1.11 -4.71 121.20 123.89 1u3f s ILE 99 Ca 0.12 -0.10 0.21 0.00 0.00 0.00 0.00 60.65 60.89 1u3f s ILE 99 Cb 0.13 -3.01 -0.31 0.00 0.01 0.00 0.00 42.46 39.28 1u3f s ILE 99 CO 0.46 0.59 0.56 0.47 0.00 0.00 0.00 174.94 177.01 1u3f n ASP 100 N 2.32 0.33 -3.60 3.58 8.00 0.38 -4.95 116.55 122.62 1u3f n ASP 100 Ca -0.19 -0.22 -0.16 0.00 0.71 0.00 0.00 54.79 54.94 1u3f n ASP 100 Cb 0.54 1.75 -0.07 0.00 -0.02 0.00 0.00 41.12 43.32 1u3f n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u3f s PHE 102 N -0.80 2.14 -0.45 0.00 0.40 -0.91 -0.48 117.98 117.88 1u3f s PHE 102 Ca -0.08 -1.26 -0.15 0.00 -0.60 0.00 0.00 56.93 54.83 1u3f s PHE 102 Cb -0.02 -1.55 0.06 0.00 0.51 0.00 0.00 43.02 42.01 1u3f s PHE 102 CO 0.06 -0.67 0.36 -0.51 0.70 0.00 0.00 175.22 175.16 1u3f s LEU 103 N 1.49 5.44 -0.20 -0.37 1.43 0.04 -0.35 118.68 126.16 1u3f s LEU 103 Ca 0.03 -1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 51.82 1u3f s LEU 103 Cb -0.14 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1u3f s LEU 103 CO -0.10 -0.58 0.18 -0.63 0.23 0.00 0.00 176.35 175.45 1u3f s ILE 104 N 1.64 5.38 0.71 -0.59 1.01 0.15 -4.39 121.20 125.10 1u3f s ILE 104 Ca 0.04 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 1u3f s ILE 104 Cb -0.23 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1u3f s ILE 104 CO 0.07 0.41 1.07 -2.16 0.00 0.00 0.00 174.94 174.34 1u3f s PRO 105 N 0.48 2.85 0.20 2.79 0.04 -1.26 -0.76 135.00 139.33 1u3f s PRO 105 Ca 0.10 0.71 -0.23 0.00 0.04 0.00 0.00 61.00 61.61 1u3f s PRO 105 Cb -0.12 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.47 1u3f s PRO 105 CO 0.00 -1.10 0.80 -0.48 0.04 0.00 0.00 177.00 176.27 1u3f s LEU 106 N -5.48 -0.27 -0.10 -3.56 0.05 -1.26 -4.85 118.68 103.21 1u3f s LEU 106 Ca 0.58 -0.43 0.11 0.00 0.05 0.00 0.00 54.13 54.45 1u3f s LEU 106 Cb -0.13 2.47 -0.16 0.00 -2.05 0.00 0.00 46.19 46.32 1u3f s LEU 106 CO 0.54 -1.10 0.09 0.52 -0.55 0.00 0.00 176.35 175.85 1u3f n VAL 107 N -0.44 0.67 -3.47 1.48 0.31 0.63 -4.99 118.33 112.52 1u3f n VAL 107 Ca -0.07 -0.47 -0.11 0.00 -0.01 0.00 0.00 64.34 63.69 1u3f n VAL 107 Cb 0.60 -0.51 -0.02 0.00 -0.91 0.00 0.00 33.84 33.00 1u3f n VAL 107 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1u3f s GLY 108 N -4.29 -0.53 -0.03 2.92 0.00 -0.94 -4.82 107.32 99.63 1u3f s GLY 108 Ca -0.06 0.82 -0.14 0.00 0.00 0.00 0.00 44.72 45.35 1u3f s GLY 108 CO 0.50 0.31 0.31 -0.11 0.00 0.00 0.00 173.10 174.11 1u3f s PHE 109 N -3.25 -0.20 0.16 1.90 -0.71 -0.90 0.15 117.98 115.13 1u3f s PHE 109 Ca 0.02 0.34 0.02 0.00 -1.04 0.00 0.00 56.93 56.27 1u3f s PHE 109 Cb -0.01 0.10 0.02 0.00 -1.21 0.00 0.00 43.02 41.91 1u3f s PHE 109 CO -0.10 -0.36 0.14 0.27 -1.34 0.00 0.00 175.22 173.84 1u3f n ASN 110 N 1.50 1.28 0.26 1.98 0.23 -0.78 -0.46 115.26 119.27 1u3f n ASN 110 Ca -0.20 -1.51 0.18 0.00 -0.53 0.00 0.00 54.58 52.52 1u3f n ASN 110 Cb 0.56 -0.04 0.88 0.00 -2.08 0.00 0.00 39.78 39.11 1u3f n ASN 110 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1u3f h LYS 111 N 0.00 0.00 -0.43 -3.83 2.10 -1.91 -2.21 116.57 110.29 1u3f h LYS 111 Ca -0.09 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1u3f h LYS 111 Cb 0.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 1u3f h LYS 111 CO 0.14 0.00 0.01 -0.25 -2.00 0.00 0.00 179.45 177.35 1u3f n ASP 112 N -2.81 4.80 0.00 7.07 9.92 -1.26 -4.95 116.55 129.33 1u3f n ASP 112 Ca -0.01 -3.00 0.00 0.00 -0.53 0.00 0.00 54.79 51.24 1u3f n ASP 112 Cb 0.14 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 1u3f n ASP 112 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1u3f n ASN 113 N 0.03 -2.95 -4.78 -2.24 3.02 -0.83 -4.94 115.26 102.57 1u3f n ASN 113 Ca 0.25 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.48 1u3f n ASN 113 Cb 1.07 -1.76 0.05 0.00 -0.61 0.00 0.00 39.78 38.53 1u3f n ASN 113 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1u3f s TYR 114 N -1.84 2.72 0.26 3.10 1.51 -1.22 -4.30 117.35 117.58 1u3f s TYR 114 Ca 0.00 1.53 0.08 0.00 -1.01 0.00 0.00 57.07 57.68 1u3f s TYR 114 Cb 0.00 -3.09 -0.05 0.00 -0.11 0.00 0.00 41.96 38.71 1u3f s TYR 114 CO 0.00 -1.58 -0.12 -0.98 -1.11 0.00 0.00 175.55 171.76 1u3f s ARG 115 N -4.37 1.52 -0.14 -0.62 1.70 -1.26 -1.87 118.95 113.90 1u3f s ARG 115 Ca 0.64 -1.72 0.02 0.00 -0.47 0.00 0.00 55.73 54.20 1u3f s ARG 115 Cb -0.18 -1.32 0.01 0.00 -0.57 0.00 0.00 34.95 32.89 1u3f s ARG 115 CO 0.45 0.16 -0.19 -1.17 -1.08 0.00 0.00 175.30 173.47 1u3f s LEU 116 N -3.43 1.99 0.00 -1.89 2.96 0.39 -4.93 118.68 113.77 1u3f s LEU 116 Ca 0.27 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1u3f s LEU 116 Cb 0.00 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.34 1u3f s LEU 116 CO 0.11 0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.79 1u3f n GLY 117 N 4.26 3.19 0.53 7.98 0.00 -1.26 -0.27 105.19 119.62 1u3f n GLY 117 Ca -0.20 -1.83 0.14 0.00 0.00 0.00 0.00 46.02 44.13 1u3f n GLY 117 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1u3f n PHE 118 N 0.00 0.01 0.00 1.61 3.01 -1.26 -4.74 117.46 116.10 1u3f n PHE 118 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1u3f n PHE 118 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1u3f n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u3f n GLY 119 N 1.19 2.60 0.30 1.37 0.00 -1.26 -4.93 105.19 104.46 1u3f n GLY 119 Ca 0.18 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.54 1u3f n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u3f h LYS 120 N 0.00 0.00 -1.24 1.61 6.56 -1.93 -3.46 116.57 118.11 1u3f h LYS 120 Ca 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.48 1u3f h LYS 120 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.67 1u3f h LYS 120 CO 0.00 0.00 -0.15 0.41 -2.06 0.00 0.00 179.45 177.65 1u3f n GLY 121 N -1.51 0.27 0.17 3.86 0.00 -1.26 -4.92 105.19 101.80 1u3f n GLY 121 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1u3f n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1u3f h TYR 122 N -0.22 -0.33 -0.54 1.61 -1.99 -1.90 -2.91 116.97 110.69 1u3f h TYR 122 Ca -0.14 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.56 1u3f h TYR 122 Cb 1.10 0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.93 1u3f h TYR 122 CO 0.14 -0.20 0.20 1.88 -0.00 0.00 0.00 178.16 180.19 1u3f h TYR 123 N -0.29 0.79 -0.96 4.88 -1.99 -1.93 -0.88 116.97 116.59 1u3f h TYR 123 Ca 0.00 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.69 1u3f h TYR 123 Cb 0.27 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 38.71 1u3f h TYR 123 CO -0.12 0.62 0.62 -0.44 -0.00 0.00 0.00 178.16 178.84 1u3f h ASP 124 N 0.77 1.11 -0.06 3.88 3.32 -1.86 0.12 116.42 123.70 1u3f h ASP 124 Ca 0.18 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1u3f h ASP 124 Cb 0.17 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1u3f h ASP 124 CO -0.02 0.81 -0.22 0.03 -1.72 0.00 0.00 179.24 178.13 1u3f h ARG 125 N 1.30 0.26 0.45 3.56 3.08 -1.26 -3.30 114.38 118.46 1u3f h ARG 125 Ca 0.35 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1u3f h ARG 125 Cb -0.13 0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1u3f h ARG 125 CO -0.07 0.82 -0.21 -0.92 -1.07 0.00 0.00 179.97 178.51 1u3f h TYR 126 N -0.25 -0.56 0.00 3.04 3.20 -0.84 -3.16 116.97 118.40 1u3f h TYR 126 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1u3f h TYR 126 Cb 0.85 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1u3f h TYR 126 CO 0.13 -0.24 0.27 -0.07 -1.64 0.00 0.00 178.16 176.61 1u3f h LEU 127 N -0.87 0.00 -0.91 2.82 3.38 -0.93 -0.23 115.31 118.56 1u3f h LEU 127 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1u3f h LEU 127 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1u3f h LEU 127 CO 0.10 0.00 0.00 0.80 0.09 0.00 0.00 178.44 179.43 1u3f n MET 128 N -2.88 0.18 0.02 1.13 1.56 -1.19 -2.55 117.12 113.39 1u3f n MET 128 Ca -0.02 0.48 0.12 0.00 -0.27 0.00 0.00 57.70 58.02 1u3f n MET 128 Cb 0.32 -1.90 0.28 0.00 2.15 0.00 0.00 33.22 34.06 1u3f n MET 128 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1u3f n GLN 129 N -2.26 0.11 -1.93 2.12 6.02 -0.10 -4.92 117.38 116.42 1u3f n GLN 129 Ca 0.01 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 1u3f n GLN 129 Cb 0.18 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 1u3f n GLN 129 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u3f s LEU 130 N -3.48 4.37 0.00 1.08 1.43 -1.06 -4.84 118.68 116.19 1u3f s LEU 130 Ca 0.10 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 1u3f s LEU 130 Cb 0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1u3f s LEU 130 CO 0.68 -0.79 0.68 0.35 0.23 0.00 0.00 176.35 177.50 1u3f n THR 131 N 2.92 0.39 -0.72 5.49 -2.24 -1.26 -4.77 114.28 114.08 1u3f n THR 131 Ca 0.10 -0.39 0.07 0.00 -2.27 0.00 0.00 64.05 61.56 1u3f n THR 131 Cb 0.39 0.83 0.20 0.00 -2.10 0.00 0.00 70.33 69.65 1u3f n THR 131 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u3f n ARG 132 N -0.19 2.76 -2.76 -0.78 1.74 -1.26 -4.96 116.66 111.20 1u3f n ARG 132 Ca 0.00 -2.52 -0.22 0.00 -0.77 0.00 0.00 57.85 54.34 1u3f n ARG 132 Cb 0.39 -1.61 0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1u3f n ARG 132 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1u3f n GLN 133 N -0.31 -3.55 -1.98 5.56 3.00 -1.26 -4.92 117.38 113.93 1u3f n GLN 133 Ca 0.17 0.95 -0.42 0.00 -0.01 0.00 0.00 57.00 57.69 1u3f n GLN 133 Cb 0.70 -5.74 -0.03 0.00 0.00 0.00 0.00 30.24 25.18 1u3f n GLN 133 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1u3f s GLN 134 N -5.43 4.23 0.26 -1.09 1.11 -1.26 -4.93 119.66 112.55 1u3f s GLN 134 Ca 0.18 2.30 -0.30 0.00 0.01 0.00 0.00 55.36 57.55 1u3f s GLN 134 Cb -0.08 -3.25 -0.13 0.00 -1.01 0.00 0.00 33.01 28.54 1u3f s GLN 134 CO 0.22 -0.60 1.33 -2.30 0.01 0.00 0.00 175.29 173.95 1u3f n PRO 135 N 4.27 1.95 -3.79 2.91 -0.02 -1.26 -4.86 135.00 134.19 1u3f n PRO 135 Ca 0.14 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.95 1u3f n PRO 135 Cb 0.40 -2.29 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 1u3f n PRO 135 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1u3f s LYS 136 N -0.84 2.07 -0.28 -0.52 1.02 -1.26 -2.13 119.74 117.80 1u3f s LYS 136 Ca 0.65 -2.02 -0.08 0.00 0.02 0.00 0.00 55.97 54.54 1u3f s LYS 136 Cb -0.65 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.08 1u3f s LYS 136 CO 0.54 -1.09 0.10 0.42 -0.92 0.00 0.00 175.35 174.40 1u3f s ILE 137 N 0.79 4.34 0.20 2.17 1.01 0.52 -0.47 121.20 129.76 1u3f s ILE 137 Ca 0.11 -0.34 -0.26 0.00 0.00 0.00 0.00 60.65 60.16 1u3f s ILE 137 Cb -0.22 -3.12 -0.08 0.00 0.01 0.00 0.00 42.46 39.04 1u3f s ILE 137 CO -0.04 0.21 0.82 -0.83 0.00 0.00 0.00 174.94 175.10 1u3f s GLY 138 N 1.59 2.92 -0.18 6.18 0.00 -0.42 0.33 107.32 117.75 1u3f s GLY 138 Ca 0.05 0.41 -0.04 0.00 0.00 0.00 0.00 44.72 45.14 1u3f s GLY 138 CO 0.04 0.91 -0.02 -0.42 0.00 0.00 0.00 173.10 173.61 1u3f s ILE 139 N -1.24 3.88 0.22 0.90 -1.09 0.06 -1.86 121.20 122.06 1u3f s ILE 139 Ca 0.39 -0.35 -0.23 0.00 -2.23 0.00 0.00 60.65 58.23 1u3f s ILE 139 Cb -0.23 -2.73 0.04 0.00 -1.58 0.00 0.00 42.46 37.97 1u3f s ILE 139 CO 0.27 0.46 0.81 0.00 -1.23 0.00 0.00 174.94 175.25 1u3f s ALA 140 N 0.72 -1.42 -0.02 9.38 0.00 -1.00 -4.11 121.76 125.31 1u3f s ALA 140 Ca -0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.75 1u3f s ALA 140 Cb -0.14 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 1u3f s ALA 140 CO 0.02 -1.02 0.36 0.71 0.00 0.00 0.00 175.76 175.83 1u3f s TYR 141 N -3.65 3.71 0.33 0.00 1.51 -1.26 -3.83 117.35 114.15 1u3f s TYR 141 Ca 0.11 0.91 0.09 0.00 -1.01 0.00 0.00 57.07 57.17 1u3f s TYR 141 Cb -0.04 -2.23 0.98 0.00 -0.11 0.00 0.00 41.96 40.57 1u3f s TYR 141 CO 0.04 0.66 1.58 1.03 -1.11 0.00 0.00 175.55 177.75 1u3f h SER 142 N 4.75 -0.14 0.00 2.29 0.87 -1.95 0.33 113.55 119.71 1u3f h SER 142 Ca -0.52 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1u3f h SER 142 Cb 1.22 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1u3f h SER 142 CO 0.61 -0.37 0.00 2.22 -0.53 0.00 0.00 176.83 178.75 1u3f n PHE 143 N -5.38 0.00 0.93 2.24 -1.74 -1.26 -2.87 117.46 109.38 1u3f n PHE 143 Ca 0.29 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.26 1u3f n PHE 143 Cb 0.96 0.00 0.25 0.00 1.52 0.00 0.00 39.48 42.21 1u3f n PHE 143 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 1u3f n GLN 144 N -0.74 1.85 -2.41 3.97 6.02 0.12 -4.86 117.38 121.32 1u3f n GLN 144 Ca 0.07 -1.30 -0.39 0.00 -0.01 0.00 0.00 57.00 55.37 1u3f n GLN 144 Cb 0.03 -1.34 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 1u3f n GLN 144 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1u3f s LYS 145 N -1.60 4.38 0.06 -1.09 2.20 -1.14 -2.12 119.74 120.44 1u3f s LYS 145 Ca 0.28 1.80 -0.17 0.00 -0.36 0.00 0.00 55.97 57.52 1u3f s LYS 145 Cb 0.15 -2.93 0.03 0.00 -1.51 0.00 0.00 37.83 33.57 1u3f s LYS 145 CO 0.21 -0.02 0.40 0.20 -0.36 0.00 0.00 175.35 175.78 1u3f s GLY 146 N -1.03 -0.25 -0.95 5.54 0.00 0.39 -4.85 107.32 106.17 1u3f s GLY 146 Ca 0.50 0.19 -0.10 0.00 0.00 0.00 0.00 44.72 45.31 1u3f s GLY 146 CO 0.39 -0.07 0.91 -0.35 0.00 0.00 0.00 173.10 173.98 1u3f s ASP 147 N -2.20 6.88 0.19 1.64 3.68 -1.26 -3.83 116.67 121.76 1u3f s ASP 147 Ca -0.03 -3.18 0.08 0.00 2.13 0.00 0.00 52.55 51.54 1u3f s ASP 147 Cb -0.00 -2.17 -0.05 0.00 -1.45 0.00 0.00 42.92 39.25 1u3f s ASP 147 CO -0.05 -0.40 -0.15 0.72 0.13 0.00 0.00 175.17 175.42 1u3f s PHE 148 N -0.60 1.68 -0.17 -5.34 -0.71 -1.26 -4.02 117.98 107.55 1u3f s PHE 148 Ca 0.24 -0.57 -0.09 0.00 -1.04 0.00 0.00 56.93 55.48 1u3f s PHE 148 Cb -0.10 -0.79 -0.05 0.00 -1.21 0.00 0.00 43.02 40.87 1u3f s PHE 148 CO -0.09 0.33 0.12 -0.51 -1.34 0.00 0.00 175.22 173.73 1u3f s LEU 149 N -3.17 4.22 0.40 -1.99 1.43 -1.26 -4.87 118.68 113.44 1u3f s LEU 149 Ca 0.20 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 1u3f s LEU 149 Cb -0.01 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1u3f s LEU 149 CO 0.06 0.25 1.33 0.00 0.23 0.00 0.00 176.35 178.22 1u3f s ALA 150 N -0.09 3.30 0.43 4.21 0.00 -1.26 -5.02 121.76 123.33 1u3f s ALA 150 Ca 0.10 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 1u3f s ALA 150 Cb -0.11 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 1u3f s ALA 150 CO 0.00 -0.86 0.68 -0.51 0.00 0.00 0.00 175.76 175.07 1u3f s ASP 151 N -0.66 6.15 0.62 0.00 1.01 -1.26 -4.98 116.67 117.55 1u3f s ASP 151 Ca 0.56 0.61 0.30 0.00 0.71 0.00 0.00 52.55 54.73 1u3f s ASP 151 Cb -0.39 -2.00 1.60 0.00 1.01 0.00 0.00 42.92 43.14 1u3f s ASP 151 CO 0.51 -0.52 1.97 -0.65 0.21 0.00 0.00 175.17 176.69 1u3f h PRO 152 N 0.43 0.00 -0.02 8.23 0.11 -2.06 -2.15 132.00 136.55 1u3f h PRO 152 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u3f h PRO 152 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1u3f h PRO 152 CO 0.61 0.00 -0.27 -2.67 -0.21 0.00 0.00 178.00 175.46 1u3f n TRP 153 N -3.45 0.00 -2.38 0.65 2.14 -1.26 -4.94 117.44 108.19 1u3f n TRP 153 Ca 0.03 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.17 1u3f n TRP 153 Cb 0.47 -0.03 -0.02 0.00 -0.81 0.00 0.00 31.31 30.91 1u3f n TRP 153 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1u3f s ASP 154 N -2.33 6.93 0.07 -0.67 -0.00 -0.81 -4.84 116.67 115.03 1u3f s ASP 154 Ca 0.24 1.78 -0.30 0.00 -0.00 0.00 0.00 52.55 54.27 1u3f s ASP 154 Cb 0.19 -2.54 -0.05 0.00 -0.00 0.00 0.00 42.92 40.52 1u3f s ASP 154 CO 0.48 -0.75 1.11 -0.69 -0.00 0.00 0.00 175.17 175.32 1u3f s VAL 155 N 3.30 4.23 0.34 -1.27 1.01 -1.26 -4.93 120.40 121.81 1u3f s VAL 155 Ca 0.57 1.67 0.16 0.00 0.00 0.00 0.00 61.98 64.37 1u3f s VAL 155 Cb -0.24 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.20 1u3f s VAL 155 CO 0.17 0.17 1.83 -0.61 0.00 0.00 0.00 175.10 176.66 1u3f h GLN 156 N 6.42 0.00 -1.32 2.72 4.15 -1.94 -3.41 115.11 121.73 1u3f h GLN 156 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1u3f h GLN 156 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1u3f h GLN 156 CO 0.77 0.35 -0.28 1.28 -1.93 0.00 0.00 178.83 179.03 1u3f n LEU 157 N -3.92 -3.29 0.18 -2.39 4.77 -1.26 -3.43 117.00 107.66 1u3f n LEU 157 Ca -0.02 0.96 0.06 0.00 -0.03 0.00 0.00 56.01 56.99 1u3f n LEU 157 Cb 0.41 -0.42 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 1u3f n LEU 157 CO 0.37 -0.24 0.64 0.44 -1.33 0.00 0.00 177.39 177.28 1u3f h ASP 158 N 0.95 0.00 -4.60 -1.43 3.32 -1.11 -3.46 116.42 110.08 1u3f h ASP 158 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 1u3f h ASP 158 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 1u3f h ASP 158 CO 0.00 0.34 0.48 -0.22 -1.72 0.00 0.00 179.24 178.12 1u3f s LEU 159 N -6.58 -0.38 -0.38 1.55 2.96 -1.18 -4.98 118.68 109.68 1u3f s LEU 159 Ca 0.03 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1u3f s LEU 159 Cb 0.08 2.05 0.12 0.00 0.50 0.00 0.00 46.19 48.94 1u3f s LEU 159 CO 0.69 -0.60 0.15 -0.63 -1.32 0.00 0.00 176.35 174.65 1u3f s ILE 160 N -2.83 1.54 -0.34 6.68 -1.09 -1.26 -1.30 121.20 122.60 1u3f s ILE 160 Ca 0.03 -2.21 -0.28 0.00 -2.23 0.00 0.00 60.65 55.96 1u3f s ILE 160 Cb -0.01 -2.11 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 1u3f s ILE 160 CO -0.07 -0.75 1.03 -0.63 -1.23 0.00 0.00 174.94 173.29 1u3f s ILE 161 N 0.82 4.52 0.21 2.92 1.01 -0.77 -4.96 121.20 124.93 1u3f s ILE 161 Ca 0.14 1.57 0.03 0.00 0.00 0.00 0.00 60.65 62.39 1u3f s ILE 161 Cb -0.21 -4.40 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 1u3f s ILE 161 CO -0.10 -0.51 0.12 -0.46 0.00 0.00 0.00 174.94 173.99 1u3f n ASN 162 N 6.88 0.34 0.21 3.58 6.94 -1.26 -2.38 115.26 129.57 1u3f n ASN 162 Ca 0.11 -2.21 0.08 0.00 -0.02 0.00 0.00 54.58 52.53 1u3f n ASN 162 Cb 0.47 0.75 0.45 0.00 -2.36 0.00 0.00 39.78 39.10 1u3f n ASN 162 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1u3f h ASP 163 N 1.02 0.00 0.00 0.53 3.04 -1.86 -3.43 116.42 115.71 1u3f h ASP 163 Ca -0.15 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 1u3f h ASP 163 Cb 0.67 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.96 1u3f h ASP 163 CO 0.23 0.29 0.00 -0.62 -2.04 0.00 0.00 179.24 177.10