#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2w s TYR 12 N 0.00 -0.43 -1.74 1.61 5.04 -1.26 -4.87 117.35 115.70 1u2w s TYR 12 Ca 0.00 0.97 -0.18 0.00 -2.44 0.00 0.00 57.07 55.41 1u2w s TYR 12 Cb 0.00 -0.04 0.17 0.00 0.35 0.00 0.00 41.96 42.44 1u2w s TYR 12 CO 0.00 -0.36 0.68 -3.47 -1.34 0.00 0.00 175.55 171.06 1u2w n ASP 13 N 5.35 -2.54 0.20 4.32 4.64 -1.26 -4.81 116.55 122.45 1u2w n ASP 13 Ca -0.06 -1.09 0.06 0.00 -1.38 0.00 0.00 54.79 52.32 1u2w n ASP 13 Cb 0.50 -2.38 0.54 0.00 -1.04 0.00 0.00 41.12 38.74 1u2w n ASP 13 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1u2w h GLU 14 N -1.34 0.09 -0.10 -0.67 4.39 -1.98 -0.54 114.58 114.44 1u2w h GLU 14 Ca -0.60 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.06 1u2w h GLU 14 Cb 1.39 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1u2w h GLU 14 CO 0.81 0.14 -0.05 1.49 -1.16 0.00 0.00 179.01 180.24 1u2w h GLU 15 N 0.09 0.21 -0.22 2.33 4.81 -1.99 0.27 114.58 120.08 1u2w h GLU 15 Ca 0.02 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1u2w h GLU 15 Cb 0.14 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1u2w h GLU 15 CO 0.01 0.56 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.30 1u2w h LYS 16 N -0.15 0.62 -0.48 1.92 3.64 -1.77 -2.00 116.57 118.34 1u2w h LYS 16 Ca 0.02 -0.37 0.09 0.00 -1.27 0.00 0.00 60.65 59.12 1u2w h LYS 16 Cb 0.50 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 1u2w h LYS 16 CO 0.01 0.98 0.01 0.28 -2.27 0.00 0.00 179.45 178.46 1u2w h VAL 17 N 0.31 0.63 -0.46 2.00 2.07 -1.02 -1.69 116.25 118.10 1u2w h VAL 17 Ca 0.02 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 1u2w h VAL 17 Cb 0.92 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1u2w h VAL 17 CO 0.08 0.02 -0.14 0.78 0.02 0.00 0.00 177.57 178.32 1u2w h ASN 18 N 0.12 0.86 -0.64 0.57 2.35 -0.36 -1.34 115.58 117.15 1u2w h ASN 18 Ca 0.24 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1u2w h ASN 18 Cb 0.36 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1u2w h ASN 18 CO -0.40 1.01 0.31 0.03 -1.65 0.00 0.00 177.43 176.73 1u2w h ARG 19 N 0.76 0.91 -0.13 0.81 3.08 -1.11 0.11 114.38 118.81 1u2w h ARG 19 Ca 0.12 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 1u2w h ARG 19 Cb 0.66 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1u2w h ARG 19 CO 0.05 0.72 -0.60 0.82 -1.07 0.00 0.00 179.97 179.89 1u2w h ILE 20 N 0.87 1.35 -0.96 2.04 2.04 -1.04 -0.29 117.51 121.53 1u2w h ILE 20 Ca 0.22 -1.91 0.04 0.00 1.00 0.00 0.00 64.86 64.21 1u2w h ILE 20 Cb 0.11 1.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 1u2w h ILE 20 CO -0.03 0.58 0.63 1.56 0.00 0.00 0.00 178.15 180.89 1u2w h GLN 21 N 0.33 1.17 -0.70 2.37 4.20 -1.08 0.31 115.11 121.70 1u2w h GLN 21 Ca -0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1u2w h GLN 21 Cb 1.13 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 1u2w h GLN 21 CO 0.10 0.77 0.28 0.78 -0.67 0.00 0.00 178.83 180.10 1u2w h GLY 22 N 1.20 1.13 0.84 3.46 0.00 -0.27 -0.05 103.07 109.37 1u2w h GLY 22 Ca 0.38 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1u2w h GLY 22 CO -0.12 0.58 0.02 -0.55 0.00 0.00 0.00 176.54 176.47 1u2w h ASP 23 N 1.00 0.10 -0.37 0.19 3.32 -0.42 -3.07 116.42 117.18 1u2w h ASP 23 Ca 0.23 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1u2w h ASP 23 Cb 0.21 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1u2w h ASP 23 CO -0.02 0.26 0.15 -0.07 -1.72 0.00 0.00 179.24 177.84 1u2w h LEU 24 N -0.07 0.56 -1.58 1.55 3.38 -0.16 -2.31 115.31 116.68 1u2w h LEU 24 Ca 0.02 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1u2w h LEU 24 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1u2w h LEU 24 CO -0.00 0.53 -0.15 1.56 0.09 0.00 0.00 178.44 180.47 1u2w h GLN 25 N 0.61 0.08 -0.01 1.13 4.20 -0.91 -2.90 115.11 117.31 1u2w h GLN 25 Ca 0.15 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1u2w h GLN 25 Cb 0.16 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1u2w h GLN 25 CO -0.01 0.23 -0.22 0.25 -0.67 0.00 0.00 178.83 178.41 1u2w n THR 26 N -4.32 0.00 -4.27 -0.54 -2.24 -0.88 -4.85 114.28 97.18 1u2w n THR 26 Ca -0.02 -0.20 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 1u2w n THR 26 Cb 0.24 0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 69.01 1u2w n THR 26 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1u2w s VAL 27 N -2.35 3.39 -1.14 2.28 -7.23 -1.09 -5.05 120.40 109.20 1u2w s VAL 27 Ca 0.27 -1.67 -0.07 0.00 -1.81 0.00 0.00 61.98 58.70 1u2w s VAL 27 Cb 0.19 -2.72 0.26 0.00 0.56 0.00 0.00 36.38 34.68 1u2w s VAL 27 CO 0.47 -0.18 1.51 -0.67 -0.31 0.00 0.00 175.10 175.92 1u2w n ASP 28 N -0.25 5.91 -0.18 4.85 2.03 -1.26 -4.77 116.55 122.88 1u2w n ASP 28 Ca -0.09 -3.26 0.02 0.00 0.52 0.00 0.00 54.79 51.98 1u2w n ASP 28 Cb 0.56 -1.36 0.29 0.00 -0.72 0.00 0.00 41.12 39.89 1u2w n ASP 28 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1u2w h ILE 29 N 3.61 1.16 -0.45 5.18 1.08 -1.97 -2.32 117.51 123.80 1u2w h ILE 29 Ca 0.25 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 64.37 1u2w h ILE 29 Cb 0.68 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 1u2w h ILE 29 CO 1.34 0.17 0.13 0.77 -0.69 0.00 0.00 178.15 179.87 1u2w h SER 30 N 0.92 0.61 0.08 1.72 4.64 -1.97 0.35 113.55 119.90 1u2w h SER 30 Ca 0.26 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 1u2w h SER 30 Cb -0.07 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1u2w h SER 30 CO -0.06 0.60 -0.21 1.23 -0.87 0.00 0.00 176.83 177.52 1u2w h GLY 31 N 0.85 0.26 1.17 -0.77 0.00 -1.83 -1.11 103.07 101.64 1u2w h GLY 31 Ca 0.15 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1u2w h GLY 31 CO -0.01 0.17 -0.22 -2.08 0.00 0.00 0.00 176.54 174.40 1u2w h VAL 32 N 0.22 1.27 -0.80 4.60 2.07 -0.84 -2.22 116.25 120.55 1u2w h VAL 32 Ca 0.04 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1u2w h VAL 32 Cb 0.50 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1u2w h VAL 32 CO 0.03 0.47 0.43 0.28 0.02 0.00 0.00 177.57 178.81 1u2w h SER 33 N 0.82 1.01 -0.12 0.57 0.02 -0.47 -2.30 113.55 113.07 1u2w h SER 33 Ca 0.11 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1u2w h SER 33 Cb 0.78 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1u2w h SER 33 CO 0.07 0.82 -0.04 1.56 -1.14 0.00 0.00 176.83 178.09 1u2w h GLN 34 N 1.12 0.24 -0.51 3.45 1.08 -0.94 -1.12 115.11 118.43 1u2w h GLN 34 Ca 0.28 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.26 1u2w h GLN 34 Cb 0.04 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1u2w h GLN 34 CO -0.04 0.57 -0.16 0.97 -0.95 0.00 0.00 178.83 179.21 1u2w h ILE 35 N -0.09 1.27 -0.76 2.54 6.09 -1.43 -1.81 117.51 123.32 1u2w h ILE 35 Ca 0.03 -1.31 -0.05 0.00 -1.37 0.00 0.00 64.86 62.15 1u2w h ILE 35 Cb 0.49 1.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.78 1u2w h ILE 35 CO 0.01 0.46 0.26 -0.07 -3.07 0.00 0.00 178.15 175.74 1u2w h LEU 36 N 0.87 1.08 -1.33 2.19 3.38 -1.41 -2.14 115.31 117.96 1u2w h LEU 36 Ca 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1u2w h LEU 36 Cb 0.72 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1u2w h LEU 36 CO 0.06 0.99 0.07 0.11 0.09 0.00 0.00 178.44 179.75 1u2w h LYS 37 N 1.12 0.52 0.25 1.13 1.57 -1.08 0.39 116.57 120.47 1u2w h LYS 37 Ca 0.25 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1u2w h LYS 37 Cb 0.27 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1u2w h LYS 37 CO -0.01 0.50 -0.12 0.00 -0.57 0.00 0.00 179.45 179.24 1u2w h ALA 38 N 1.57 -0.34 0.00 3.86 0.00 -0.83 -3.10 119.26 120.42 1u2w h ALA 38 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u2w h ALA 38 Cb 0.23 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1u2w h ALA 38 CO -0.00 -0.61 0.00 -0.84 0.00 0.00 0.00 179.25 177.80 1u2w h ILE 39 N -0.50 0.00 0.00 0.00 3.07 -1.18 -3.32 117.51 115.57 1u2w h ILE 39 Ca -0.03 -0.52 -0.15 0.00 1.55 0.00 0.00 64.86 65.70 1u2w h ILE 39 Cb 0.38 1.49 -0.02 0.00 -0.27 0.00 0.00 36.82 38.39 1u2w h ILE 39 CO 0.06 0.00 -0.74 0.00 -1.05 0.00 0.00 178.15 176.42 1u2w h ALA 40 N 2.40 0.58 -1.44 0.16 0.00 -0.84 -2.77 119.26 117.35 1u2w h ALA 40 Ca 0.00 -0.67 -0.70 0.00 0.00 0.00 0.00 54.91 53.54 1u2w h ALA 40 Cb 0.72 -0.12 0.06 0.00 0.00 0.00 0.00 17.79 18.46 1u2w h ALA 40 CO 0.00 0.92 0.20 -3.47 0.00 0.00 0.00 179.25 176.90 1u2w n ASP 41 N -3.36 0.82 -0.34 0.00 2.03 -1.21 -4.70 116.55 109.79 1u2w n ASP 41 Ca 0.01 1.14 -0.00 0.00 0.52 0.00 0.00 54.79 56.45 1u2w n ASP 41 Cb 0.80 -1.10 0.16 0.00 -0.72 0.00 0.00 41.12 40.26 1u2w n ASP 41 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1u2w h GLU 42 N 3.45 1.20 -0.25 -0.67 4.57 -1.94 0.18 114.58 121.13 1u2w h GLU 42 Ca -0.46 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 57.53 1u2w h GLU 42 Cb 1.37 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1u2w h GLU 42 CO 0.70 0.80 -0.30 -0.91 -1.18 0.00 0.00 179.01 178.11 1u2w h ASN 43 N 1.24 0.70 0.39 1.04 -0.26 -1.94 -2.72 115.58 114.04 1u2w h ASN 43 Ca 0.36 -0.49 -0.06 0.00 -0.56 0.00 0.00 56.30 55.55 1u2w h ASN 43 Cb -0.08 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 36.97 1u2w h ASN 43 CO -0.09 1.05 -0.28 0.03 -1.06 0.00 0.00 177.43 177.08 1u2w h ARG 44 N 0.36 0.00 -0.50 0.81 3.08 -1.66 -1.30 114.38 115.18 1u2w h ARG 44 Ca 0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1u2w h ARG 44 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1u2w h ARG 44 CO 0.07 0.28 -0.10 0.00 -1.07 0.00 0.00 179.97 179.15 1u2w h ALA 45 N 1.72 0.88 -0.44 0.04 0.00 -0.37 0.32 119.26 121.41 1u2w h ALA 45 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1u2w h ALA 45 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u2w h ALA 45 CO 0.04 0.64 -0.05 0.87 0.00 0.00 0.00 179.25 180.75 1u2w h LYS 46 N 0.82 0.82 -0.06 0.00 1.57 -1.04 0.37 116.57 119.05 1u2w h LYS 46 Ca 0.13 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1u2w h LYS 46 Cb 0.63 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1u2w h LYS 46 CO 0.04 0.90 -0.03 0.82 -0.57 0.00 0.00 179.45 180.62 1u2w h ILE 47 N 0.65 0.91 0.15 1.86 2.04 -1.03 0.17 117.51 122.26 1u2w h ILE 47 Ca 0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1u2w h ILE 47 Cb 0.56 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1u2w h ILE 47 CO 0.03 0.00 -0.28 0.74 0.00 0.00 0.00 178.15 178.64 1u2w h THR 48 N -0.02 0.39 -0.61 -0.27 2.02 -0.72 0.22 112.91 113.91 1u2w h THR 48 Ca 0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.34 1u2w h THR 48 Cb 0.07 0.39 -0.10 0.00 -1.74 0.00 0.00 68.15 66.78 1u2w h THR 48 CO -0.07 0.00 0.04 0.22 0.37 0.00 0.00 175.52 176.07 1u2w h TYR 49 N -0.51 0.03 -0.95 3.16 3.20 -0.13 -1.88 116.97 119.89 1u2w h TYR 49 Ca 0.02 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1u2w h TYR 49 Cb 0.53 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 1u2w h TYR 49 CO -0.24 -0.13 0.63 0.00 -1.64 0.00 0.00 178.16 176.78 1u2w h ALA 50 N 1.54 1.21 0.00 1.82 0.00 0.10 -1.42 119.26 122.51 1u2w h ALA 50 Ca 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1u2w h ALA 50 Cb 0.51 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u2w h ALA 50 CO -0.49 0.61 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1u2w n LEU 51 N -4.41 0.00 0.16 0.00 4.77 -0.01 -1.00 117.00 116.52 1u2w n LEU 51 Ca 0.11 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.65 1u2w n LEU 51 Cb 0.02 -0.43 0.41 0.00 -2.33 0.00 0.00 43.42 41.08 1u2w n LEU 51 CO 0.37 -0.03 0.88 0.00 -1.33 0.00 0.00 177.39 177.27 1u2w n GLN 53 N -2.59 0.73 -4.28 0.00 1.13 -0.17 -4.97 117.38 107.23 1u2w n GLN 53 Ca 0.04 0.30 -0.21 0.00 -1.94 0.00 0.00 57.00 55.19 1u2w n GLN 53 Cb 0.40 -1.71 -0.12 0.00 0.11 0.00 0.00 30.24 28.92 1u2w n GLN 53 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1u2w s ASP 54 N -7.01 2.38 0.11 1.08 1.01 -0.98 -5.04 116.67 108.22 1u2w s ASP 54 Ca -0.24 -0.77 -0.21 0.00 0.71 0.00 0.00 52.55 52.04 1u2w s ASP 54 Cb 0.07 -0.12 -0.10 0.00 1.01 0.00 0.00 42.92 43.77 1u2w s ASP 54 CO 0.74 -0.03 1.75 1.05 0.21 0.00 0.00 175.17 178.88 1u2w h GLU 55 N 3.68 0.10 -2.93 8.23 4.11 -1.92 -3.42 114.58 122.43 1u2w h GLU 55 Ca -0.43 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 58.88 1u2w h GLU 55 Cb 1.19 -0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.21 1u2w h GLU 55 CO 0.46 0.06 -0.25 -1.83 0.07 0.00 0.00 179.01 177.52 1u2w s GLU 56 N -6.19 0.62 0.03 1.06 -1.05 -1.25 -4.38 118.70 107.55 1u2w s GLU 56 Ca -0.13 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 1u2w s GLU 56 Cb 0.07 0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 1u2w s GLU 56 CO 0.67 -0.16 -0.04 -0.51 0.95 0.00 0.00 175.26 176.18 1u2w s LEU 57 N -0.92 2.30 0.66 1.83 1.43 -0.82 -4.85 118.68 118.30 1u2w s LEU 57 Ca -0.10 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1u2w s LEU 57 Cb -0.04 0.09 0.07 0.00 0.03 0.00 0.00 46.19 46.34 1u2w s LEU 57 CO 0.04 -0.35 0.93 0.00 0.23 0.00 0.00 176.35 177.19 1u2w h VAL 59 N -0.37 1.23 -0.46 0.00 3.04 -1.99 -2.15 116.25 115.55 1u2w h VAL 59 Ca -0.41 -0.99 -0.00 0.00 -1.01 0.00 0.00 66.70 64.28 1u2w h VAL 59 Cb 1.29 1.00 -0.02 0.00 -2.01 0.00 0.00 31.29 31.55 1u2w h VAL 59 CO 0.51 0.34 0.28 0.00 -1.01 0.00 0.00 177.57 177.68 1u2w h ASP 61 N 0.61 -0.63 -0.37 0.00 3.32 -1.89 -0.84 116.42 116.62 1u2w h ASP 61 Ca 0.17 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.34 1u2w h ASP 61 Cb -0.00 0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1u2w h ASP 61 CO -0.03 -0.28 0.16 0.40 -1.72 0.00 0.00 179.24 177.77 1u2w h ILE 62 N -0.32 0.93 -0.88 0.35 5.03 -1.21 0.27 117.51 121.69 1u2w h ILE 62 Ca 0.07 -0.11 0.01 0.00 -0.12 0.00 0.00 64.86 64.70 1u2w h ILE 62 Cb 0.41 0.57 -0.04 0.00 -3.03 0.00 0.00 36.82 34.74 1u2w h ILE 62 CO -0.21 0.06 0.57 0.00 -0.68 0.00 0.00 178.15 177.89 1u2w h ALA 63 N 1.22 1.36 0.04 1.87 0.00 -0.73 0.22 119.26 123.24 1u2w h ALA 63 Ca 0.17 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1u2w h ALA 63 Cb 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1u2w h ALA 63 CO -0.15 0.59 -1.01 -0.97 0.00 0.00 0.00 179.25 177.71 1u2w h ASN 64 N 1.19 0.27 -0.07 0.00 -0.73 -0.52 0.34 115.58 116.06 1u2w h ASN 64 Ca 0.32 -0.25 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 1u2w h ASN 64 Cb -0.13 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.38 1u2w h ASN 64 CO -0.07 1.12 -0.04 0.40 -0.37 0.00 0.00 177.43 178.47 1u2w h ILE 65 N 0.08 1.34 0.00 2.57 2.04 -0.07 -3.17 117.51 120.30 1u2w h ILE 65 Ca -0.07 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 1u2w h ILE 65 Cb 1.70 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.72 1u2w h ILE 65 CO 0.16 0.30 -0.11 -0.07 0.00 0.00 0.00 178.15 178.43 1u2w h LEU 66 N -0.25 0.00 -0.14 1.44 4.07 -0.96 -3.48 115.31 115.99 1u2w h LEU 66 Ca 0.01 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 1u2w h LEU 66 Cb 0.51 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.26 1u2w h LEU 66 CO 0.01 0.11 -0.09 0.61 -1.08 0.00 0.00 178.44 178.01 1u2w n GLY 67 N -1.14 0.45 3.50 0.83 0.00 0.04 -5.07 105.19 103.80 1u2w n GLY 67 Ca -0.03 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 1u2w n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u2w s VAL 68 N -2.51 1.42 0.80 1.61 -7.23 -0.80 -5.05 120.40 108.64 1u2w s VAL 68 Ca 0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 1u2w s VAL 68 Cb -0.02 -2.85 0.08 0.00 0.56 0.00 0.00 36.38 34.15 1u2w s VAL 68 CO 0.04 -0.00 1.10 0.42 -0.31 0.00 0.00 175.10 176.34 1u2w s THR 69 N -3.13 3.12 0.07 5.32 -4.23 -1.26 -4.57 115.64 110.96 1u2w s THR 69 Ca 0.36 0.36 -0.20 0.00 -1.18 0.00 0.00 61.69 61.03 1u2w s THR 69 Cb 0.09 -2.81 -0.11 0.00 1.34 0.00 0.00 72.50 71.02 1u2w s THR 69 CO 0.16 -0.48 1.54 0.40 -0.54 0.00 0.00 174.62 175.71 1u2w h ILE 70 N -1.26 1.22 -0.73 2.99 2.04 -1.93 -1.09 117.51 118.75 1u2w h ILE 70 Ca -0.44 -0.71 0.14 0.00 1.00 0.00 0.00 64.86 64.84 1u2w h ILE 70 Cb 1.24 1.36 -0.14 0.00 -0.74 0.00 0.00 36.82 38.54 1u2w h ILE 70 CO 0.51 0.22 -0.24 0.00 0.00 0.00 0.00 178.15 178.63 1u2w h ALA 71 N 0.82 0.34 -1.00 1.87 0.00 -1.98 0.46 119.26 119.77 1u2w h ALA 71 Ca 0.05 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1u2w h ALA 71 Cb 0.30 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1u2w h ALA 71 CO 0.00 -0.49 0.66 -0.91 0.00 0.00 0.00 179.25 178.51 1u2w h ASN 72 N -0.04 1.14 -0.10 0.00 -0.26 -1.86 0.12 115.58 114.58 1u2w h ASN 72 Ca 0.33 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.03 1u2w h ASN 72 Cb 0.56 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.54 1u2w h ASN 72 CO -0.77 0.81 0.01 0.00 -1.06 0.00 0.00 177.43 176.42 1u2w h ALA 73 N 1.39 0.13 -0.95 -0.83 0.00 -0.14 -1.56 119.26 117.29 1u2w h ALA 73 Ca 0.38 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1u2w h ALA 73 Cb -0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1u2w h ALA 73 CO -0.09 -0.21 0.62 0.66 0.00 0.00 0.00 179.25 180.22 1u2w h SER 74 N -0.09 0.96 0.29 0.00 4.64 0.06 -1.30 113.55 118.11 1u2w h SER 74 Ca 0.03 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1u2w h SER 74 Cb 0.31 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 1u2w h SER 74 CO 0.00 0.61 -0.51 -0.74 -0.87 0.00 0.00 176.83 175.33 1u2w h HIS 75 N 1.09 -1.45 -0.34 4.77 6.17 -0.74 -0.21 115.15 124.43 1u2w h HIS 75 Ca 0.41 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.51 1u2w h HIS 75 Cb 0.19 0.59 -0.02 0.00 2.52 0.00 0.00 27.41 30.70 1u2w h HIS 75 CO -0.00 -0.62 0.20 0.45 0.71 0.00 0.00 177.93 178.67 1u2w h HIS 76 N -0.86 0.45 -0.27 5.26 3.86 -0.96 -1.31 115.15 121.31 1u2w h HIS 76 Ca -0.03 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.00 1u2w h HIS 76 Cb 0.80 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 1u2w h HIS 76 CO -0.36 0.31 -0.54 -0.07 0.86 0.00 0.00 177.93 178.13 1u2w h LEU 77 N 0.47 0.90 0.06 2.43 3.38 -1.11 -0.64 115.31 120.80 1u2w h LEU 77 Ca 0.12 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1u2w h LEU 77 Cb -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1u2w h LEU 77 CO -0.02 1.26 -0.21 -0.09 0.09 0.00 0.00 178.44 179.46 1u2w h ARG 78 N 0.63 -0.36 -0.74 1.13 9.65 -0.68 -0.46 114.38 123.55 1u2w h ARG 78 Ca 0.02 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.00 1u2w h ARG 78 Cb 1.13 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 29.72 1u2w h ARG 78 CO 0.12 -0.24 0.40 1.15 2.80 0.00 0.00 179.97 184.20 1u2w h THR 79 N -0.37 0.91 0.00 0.20 2.02 -1.07 -0.59 112.91 114.01 1u2w h THR 79 Ca 0.04 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1u2w h THR 79 Cb 0.42 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1u2w h THR 79 CO -0.16 0.13 -0.13 -0.07 0.37 0.00 0.00 175.52 175.66 1u2w h LEU 80 N 0.70 0.00 0.00 2.58 3.38 -0.89 -3.51 115.31 117.56 1u2w h LEU 80 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1u2w h LEU 80 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1u2w h LEU 80 CO -0.24 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.42 1u2w n TYR 81 N -3.33 0.00 0.00 1.13 9.36 -0.20 -5.05 117.16 119.07 1u2w n TYR 81 Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1u2w n TYR 81 Cb 0.34 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.05 1u2w n TYR 81 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1u2w n LEU 96 N 0.00 0.00 -4.94 2.98 4.77 -1.26 -4.94 117.00 113.61 1u2w n LEU 96 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1u2w n LEU 96 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1u2w n LEU 96 CO 0.00 0.00 -0.10 -0.31 -1.33 0.00 0.00 177.39 175.65 1u2w s TYR 97 N 0.00 3.49 0.09 -1.77 1.51 0.08 -4.84 117.35 115.91 1u2w s TYR 97 Ca 0.00 0.15 -0.10 0.00 -1.01 0.00 0.00 57.07 56.11 1u2w s TYR 97 Cb 0.00 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1u2w s TYR 97 CO 0.00 0.53 0.24 -1.12 -1.11 0.00 0.00 175.55 174.08 1u2w s SER 98 N -3.09 0.03 0.20 2.29 0.01 -1.26 -1.95 113.70 109.92 1u2w s SER 98 Ca 0.35 -0.55 -0.32 0.00 1.31 0.00 0.00 55.95 56.73 1u2w s SER 98 Cb -0.11 0.36 -0.12 0.00 0.21 0.00 0.00 66.02 66.36 1u2w s SER 98 CO 0.28 -0.74 1.71 0.18 0.41 0.00 0.00 173.24 175.09 1u2w n LEU 99 N -0.03 3.87 0.23 2.44 4.77 -1.26 -4.87 117.00 122.15 1u2w n LEU 99 Ca -0.16 1.06 0.10 0.00 -0.03 0.00 0.00 56.01 56.98 1u2w n LEU 99 Cb 0.62 -1.55 0.51 0.00 -2.33 0.00 0.00 43.42 40.67 1u2w n LEU 99 CO 0.21 0.12 0.83 1.23 -1.33 0.00 0.00 177.39 178.45 1u2w h GLY 100 N 6.77 0.00 -4.66 -0.72 0.00 -1.99 -3.46 103.07 99.01 1u2w h GLY 100 Ca -0.44 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1u2w h GLY 100 CO 0.95 0.00 0.10 -0.35 0.00 0.00 0.00 176.54 177.24 1u2w s ASP 101 N -6.25 -0.67 0.40 0.19 -1.08 -1.26 -5.03 116.67 102.97 1u2w s ASP 101 Ca -0.01 1.09 0.11 0.00 -0.52 0.00 0.00 52.55 53.22 1u2w s ASP 101 Cb 0.11 1.05 0.81 0.00 -1.46 0.00 0.00 42.92 43.44 1u2w s ASP 101 CO 0.63 -0.37 1.91 -0.33 0.52 0.00 0.00 175.17 177.53 1u2w h GLU 102 N 4.32 0.13 -0.60 4.34 4.39 -2.00 -2.66 114.58 122.51 1u2w h GLU 102 Ca -0.28 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.42 1u2w h GLU 102 Cb 1.16 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 1u2w h GLU 102 CO 0.20 0.33 0.35 0.45 -1.16 0.00 0.00 179.01 179.19 1u2w h HIS 103 N 0.12 0.66 -0.47 4.33 3.86 -1.99 0.12 115.15 121.78 1u2w h HIS 103 Ca 0.02 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1u2w h HIS 103 Cb 0.43 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1u2w h HIS 103 CO 0.00 0.36 0.31 0.82 0.86 0.00 0.00 177.93 180.28 1u2w h ILE 104 N 0.69 1.11 -0.81 2.45 1.08 -1.91 -1.15 117.51 118.98 1u2w h ILE 104 Ca 0.25 -0.21 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 1u2w h ILE 104 Cb 0.06 0.43 -0.08 0.00 -3.07 0.00 0.00 36.82 34.16 1u2w h ILE 104 CO -0.12 0.11 0.45 -0.09 -0.69 0.00 0.00 178.15 177.81 1u2w h ARG 105 N 0.63 0.71 -0.09 2.37 2.43 -1.26 -2.24 114.38 116.91 1u2w h ARG 105 Ca 0.17 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 1u2w h ARG 105 Cb -0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1u2w h ARG 105 CO -0.04 0.47 -0.63 1.96 -1.51 0.00 0.00 179.97 180.22 1u2w h GLN 106 N 0.73 0.35 -0.46 0.20 1.08 0.03 0.09 115.11 117.13 1u2w h GLN 106 Ca 0.40 -0.25 0.05 0.00 -1.45 0.00 0.00 58.65 57.41 1u2w h GLN 106 Cb 0.42 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 1u2w h GLN 106 CO -0.27 0.86 0.18 0.82 -0.95 0.00 0.00 178.83 179.47 1u2w h ILE 107 N 0.25 0.89 0.01 2.54 2.04 -0.65 0.89 117.51 123.48 1u2w h ILE 107 Ca -0.01 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1u2w h ILE 107 Cb 1.16 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1u2w h ILE 107 CO 0.10 0.07 -0.01 -0.03 0.00 0.00 0.00 178.15 178.29 1u2w h MET 108 N 0.37 -0.02 -0.63 2.37 4.05 -1.14 -0.28 114.93 119.65 1u2w h MET 108 Ca 0.21 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.61 1u2w h MET 108 Cb 0.19 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1u2w h MET 108 CO -0.20 0.11 0.32 0.52 0.23 0.00 0.00 176.91 177.89 1u2w h MET 109 N -0.15 0.90 -0.53 0.39 2.86 -0.63 -0.99 114.93 116.79 1u2w h MET 109 Ca -0.00 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.40 1u2w h MET 109 Cb 0.14 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1u2w h MET 109 CO 0.00 0.71 -0.11 0.82 1.06 0.00 0.00 176.91 179.40 1u2w h ILE 110 N 0.87 1.27 -0.80 -1.22 2.04 -0.77 -0.17 117.51 118.73 1u2w h ILE 110 Ca 0.22 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1u2w h ILE 110 Cb 0.10 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1u2w h ILE 110 CO -0.03 0.44 0.46 0.00 0.00 0.00 0.00 178.15 179.02 1u2w h ALA 111 N 0.91 1.30 -0.09 1.87 0.00 -0.63 0.16 119.26 122.79 1u2w h ALA 111 Ca 0.13 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1u2w h ALA 111 Cb 0.68 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u2w h ALA 111 CO 0.05 0.58 -0.43 1.25 0.00 0.00 0.00 179.25 180.70 1u2w h LEU 112 N 1.11 0.53 -0.68 0.00 5.85 -1.03 -0.03 115.31 121.06 1u2w h LEU 112 Ca 0.28 -0.64 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1u2w h LEU 112 Cb -0.01 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1u2w h LEU 112 CO -0.05 1.09 0.38 0.00 -0.34 0.00 0.00 178.44 179.52 1u2w h ALA 113 N 0.46 0.92 -0.41 1.25 0.00 -0.79 0.91 119.26 121.60 1u2w h ALA 113 Ca -0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1u2w h ALA 113 Cb 1.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1u2w h ALA 113 CO 0.09 0.06 0.03 1.25 0.00 0.00 0.00 179.25 180.68 1u2w h HIS 114 N 0.70 0.75 -0.50 0.00 -0.00 -0.52 0.43 115.15 116.01 1u2w h HIS 114 Ca 0.31 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.37 60.52 1u2w h HIS 114 Cb 0.20 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1u2w h HIS 114 CO -0.08 0.74 0.15 0.87 -0.00 0.00 0.00 177.93 179.62 1u2w h LYS 115 N 0.53 0.74 0.04 5.26 1.79 -0.63 -1.20 116.57 123.11 1u2w h LYS 115 Ca 0.12 -0.13 -0.22 0.00 -2.18 0.00 0.00 60.65 58.24 1u2w h LYS 115 Cb 0.42 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1u2w h LYS 115 CO 0.01 0.64 -1.02 0.87 -1.08 0.00 0.00 179.45 178.88 1u2w h LYS 116 N 0.72 0.13 0.42 3.15 1.57 -0.65 -3.27 116.57 118.65 1u2w h LYS 116 Ca 0.17 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1u2w h LYS 116 Cb 0.22 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1u2w h LYS 116 CO -0.01 1.04 -0.20 1.49 -0.57 0.00 0.00 179.45 181.19 1u2w h GLU 117 N 0.05 -0.55 0.00 3.15 4.81 -0.81 -3.51 114.58 117.72 1u2w h GLU 117 Ca -0.06 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1u2w h GLU 117 Cb 1.73 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.23 1u2w h GLU 117 CO 0.15 -0.25 0.00 0.28 -0.73 0.00 0.00 179.01 178.46