#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9a h SER 14 N 0.00 0.65 -0.75 1.61 4.64 -2.05 -3.01 113.55 114.64 3k9a h SER 14 Ca 0.00 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3k9a h SER 14 Cb 0.00 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 3k9a h SER 14 CO 0.00 0.89 0.46 1.23 -0.87 0.00 0.00 176.83 178.55 3k9a h GLY 15 N 1.00 1.09 0.86 -0.77 0.00 -1.98 0.67 103.07 103.93 3k9a h GLY 15 Ca 0.07 -0.44 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3k9a h GLY 15 CO 0.06 0.43 -0.66 0.16 0.00 0.00 0.00 176.54 176.52 3k9a h ILE 16 N 1.04 1.40 -0.77 2.60 3.07 -1.95 -0.82 117.51 122.08 3k9a h ILE 16 Ca 0.27 -2.09 -0.01 0.00 1.55 0.00 0.00 64.86 64.58 3k9a h ILE 16 Cb -0.05 2.53 -0.04 0.00 -0.27 0.00 0.00 36.82 38.99 3k9a h ILE 16 CO -0.05 0.62 0.42 0.58 -1.05 0.00 0.00 178.15 178.66 3k9a h VAL 17 N -0.01 1.23 -0.39 0.16 2.07 -1.39 -0.09 116.25 117.83 3k9a h VAL 17 Ca -0.08 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3k9a h VAL 17 Cb 1.36 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3k9a h VAL 17 CO 0.13 0.25 0.03 -0.61 0.02 0.00 0.00 177.57 177.39 3k9a h GLN 18 N 1.07 0.67 -0.43 1.57 5.75 -0.86 -2.04 115.11 120.85 3k9a h GLN 18 Ca 0.27 -0.20 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 3k9a h GLN 18 Cb 0.02 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3k9a h GLN 18 CO -0.04 0.75 0.07 0.37 -2.65 0.00 0.00 178.83 177.32 3k9a h GLN 19 N 0.50 0.66 -0.56 1.69 5.75 -0.74 -1.35 115.11 121.06 3k9a h GLN 19 Ca 0.11 -0.13 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 3k9a h GLN 19 Cb 0.43 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 3k9a h GLN 19 CO 0.01 0.63 -0.04 1.96 -2.65 0.00 0.00 178.83 178.75 3k9a h GLN 20 N 0.63 0.99 -0.31 1.69 4.20 -0.82 -1.21 115.11 120.28 3k9a h GLN 20 Ca 0.14 -0.32 0.02 0.00 0.06 0.00 0.00 58.65 58.55 3k9a h GLN 20 Cb 0.30 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3k9a h GLN 20 CO 0.00 0.99 0.15 1.03 -0.67 0.00 0.00 178.83 180.34 3k9a h SER 21 N 0.90 0.22 -0.34 1.46 0.87 -0.92 -1.02 113.55 114.71 3k9a h SER 21 Ca 0.16 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 3k9a h SER 21 Cb 0.58 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 3k9a h SER 21 CO 0.03 0.17 -0.02 0.78 -0.53 0.00 0.00 176.83 177.26 3k9a h ASN 22 N 0.31 -0.18 -0.34 6.23 2.35 -0.90 -1.48 115.58 121.57 3k9a h ASN 22 Ca 0.13 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3k9a h ASN 22 Cb 0.05 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3k9a h ASN 22 CO -0.09 -0.06 0.08 -0.07 -1.65 0.00 0.00 177.43 175.64 3k9a h LEU 23 N 0.07 0.52 -0.30 1.61 3.38 -1.08 -1.90 115.31 117.61 3k9a h LEU 23 Ca 0.17 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3k9a h LEU 23 Cb 0.24 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3k9a h LEU 23 CO -0.30 0.62 0.08 0.25 0.09 0.00 0.00 178.44 179.18 3k9a h LEU 24 N 0.39 0.06 -0.96 1.67 6.46 -0.96 -0.63 115.31 121.34 3k9a h LEU 24 Ca 0.11 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3k9a h LEU 24 Cb 0.31 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 3k9a h LEU 24 CO 0.00 0.07 0.59 0.03 -0.62 0.00 0.00 178.44 178.51 3k9a h ARG 25 N 0.20 1.30 -0.33 1.25 3.08 -1.17 -1.17 114.38 117.53 3k9a h ARG 25 Ca 0.14 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3k9a h ARG 25 Cb 0.13 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3k9a h ARG 25 CO -0.17 0.90 0.20 0.00 -1.07 0.00 0.00 179.97 179.83 3k9a h ALA 26 N 1.32 0.42 -0.01 0.04 0.00 -0.59 -0.86 119.26 119.59 3k9a h ALA 26 Ca 0.35 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3k9a h ALA 26 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3k9a h ALA 26 CO -0.07 -0.07 -0.45 -0.84 0.00 0.00 0.00 179.25 177.83 3k9a h ILE 27 N 0.43 1.32 -0.32 0.00 -0.00 -0.68 0.77 117.51 119.03 3k9a h ILE 27 Ca 0.12 -1.54 -0.04 0.00 -0.00 0.00 0.00 64.86 63.39 3k9a h ILE 27 Cb 0.02 1.83 -0.01 0.00 -0.00 0.00 0.00 36.82 38.66 3k9a h ILE 27 CO -0.02 0.44 0.03 -0.33 -0.00 0.00 0.00 178.15 178.27 3k9a h GLU 28 N 0.01 0.54 -0.62 0.16 5.08 -0.91 0.59 114.58 119.44 3k9a h GLU 28 Ca -0.00 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3k9a h GLU 28 Cb 0.80 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3k9a h GLU 28 CO 0.06 0.65 0.25 0.00 -1.00 0.00 0.00 179.01 178.98 3k9a h ALA 29 N 0.87 0.80 -0.18 3.43 0.00 -0.84 -2.36 119.26 120.98 3k9a h ALA 29 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3k9a h ALA 29 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3k9a h ALA 29 CO 0.01 0.41 -0.11 1.96 0.00 0.00 0.00 179.25 181.52 3k9a h GLN 30 N 0.86 0.29 -0.53 0.00 4.20 -0.72 -1.87 115.11 117.33 3k9a h GLN 30 Ca 0.21 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 3k9a h GLN 30 Cb 0.19 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3k9a h GLN 30 CO -0.02 0.41 0.11 0.37 -0.67 0.00 0.00 178.83 179.03 3k9a h GLN 31 N 0.27 0.81 -0.55 1.46 5.75 -0.46 -0.65 115.11 121.75 3k9a h GLN 31 Ca 0.06 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 3k9a h GLN 31 Cb 0.37 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 3k9a h GLN 31 CO 0.02 0.75 0.07 0.45 -2.65 0.00 0.00 178.83 177.47 3k9a h HIS 32 N 0.78 0.99 -0.55 3.99 3.86 -0.86 -1.18 115.15 122.18 3k9a h HIS 32 Ca 0.17 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3k9a h HIS 32 Cb 0.32 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 3k9a h HIS 32 CO 0.02 0.88 0.35 -0.07 0.86 0.00 0.00 177.93 179.97 3k9a h LEU 33 N 0.81 0.64 -0.55 2.43 3.38 -1.11 -1.83 115.31 119.08 3k9a h LEU 33 Ca 0.16 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3k9a h LEU 33 Cb 0.44 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3k9a h LEU 33 CO 0.02 0.48 0.28 -0.07 0.09 0.00 0.00 178.44 179.23 3k9a h LEU 34 N 0.74 0.39 -0.69 1.67 3.38 -0.82 -0.29 115.31 119.68 3k9a h LEU 34 Ca 0.20 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3k9a h LEU 34 Cb -0.07 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3k9a h LEU 34 CO -0.04 0.26 0.45 1.56 0.09 0.00 0.00 178.44 180.76 3k9a h GLN 35 N 0.53 0.87 -0.80 1.13 1.08 -0.91 0.60 115.11 117.61 3k9a h GLN 35 Ca 0.24 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 3k9a h GLN 35 Cb 0.16 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 3k9a h GLN 35 CO -0.17 0.57 0.32 -0.07 -0.95 0.00 0.00 178.83 178.53 3k9a h LEU 36 N 0.89 1.10 -0.58 1.46 3.38 -0.72 0.72 115.31 121.56 3k9a h LEU 36 Ca 0.27 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3k9a h LEU 36 Cb -0.04 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3k9a h LEU 36 CO -0.08 0.97 -0.04 0.00 0.09 0.00 0.00 178.44 179.38 3k9a h THR 37 N 1.16 1.27 -0.20 0.22 1.03 -0.55 0.13 112.91 115.97 3k9a h THR 37 Ca 0.27 -1.19 -0.00 0.00 -0.01 0.00 0.00 66.41 65.47 3k9a h THR 37 Cb 0.21 0.87 -0.01 0.00 -1.07 0.00 0.00 68.15 68.16 3k9a h THR 37 CO -0.02 0.43 0.11 0.58 -0.01 0.00 0.00 175.52 176.60 3k9a h VAL 38 N 0.93 1.11 -0.57 0.00 2.07 -0.49 -1.70 116.25 117.61 3k9a h VAL 38 Ca 0.16 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.45 3k9a h VAL 38 Cb 0.60 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3k9a h VAL 38 CO 0.04 0.11 0.21 -0.25 0.02 0.00 0.00 177.57 177.69 3k9a h TRP 39 N 0.21 0.36 -0.26 1.57 2.91 -0.67 -1.33 115.95 118.74 3k9a h TRP 39 Ca 0.07 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.17 3k9a h TRP 39 Cb 0.08 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 28.61 3k9a h TRP 39 CO -0.03 0.10 -0.04 0.78 -1.03 0.00 0.00 178.44 178.21 3k9a h GLY 40 N 0.39 0.21 1.35 2.65 0.00 -0.29 0.30 103.07 107.68 3k9a h GLY 40 Ca 0.28 0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.52 3k9a h GLY 40 CO -0.28 -0.08 -0.49 0.16 0.00 0.00 0.00 176.54 175.84 3k9a h ILE 41 N 0.03 1.30 -0.63 2.60 -0.00 -1.03 0.33 117.51 120.10 3k9a h ILE 41 Ca 0.13 -1.70 0.05 0.00 -0.00 0.00 0.00 64.86 63.34 3k9a h ILE 41 Cb 0.18 1.63 -0.05 0.00 -0.00 0.00 0.00 36.82 38.58 3k9a h ILE 41 CO -0.25 0.54 0.35 0.11 -0.00 0.00 0.00 178.15 178.90 3k9a h LYS 42 N 0.55 0.64 -0.00 0.16 1.57 -0.92 -2.34 116.57 116.24 3k9a h LYS 42 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3k9a h LYS 42 Cb 1.05 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3k9a h LYS 42 CO 0.10 0.43 -0.06 1.04 -0.57 0.00 0.00 179.45 180.39 3k9a n GLN 43 N -4.79 0.61 -1.58 3.15 3.00 0.07 -4.89 117.38 112.94 3k9a n GLN 43 Ca 0.07 -0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 56.84 3k9a n GLN 43 Cb 0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.87 3k9a n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k9a n GLY 44 N 1.26 0.77 0.00 1.08 0.00 -0.50 -4.86 105.19 102.93 3k9a n GLY 44 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3k9a n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k9a n GLY 45 N -1.51 3.22 3.15 -0.02 0.00 0.10 -5.00 105.19 105.13 3k9a n GLY 45 Ca -0.11 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 3k9a n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k9a s GLY 46 N 0.00 0.79 0.00 -0.02 0.00 -1.26 -4.75 107.32 102.08 3k9a s GLY 46 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3k9a s GLY 46 CO 0.00 -0.99 0.00 0.61 0.00 0.00 0.00 173.10 172.72 3k9a n GLY 47 N 1.30 -1.32 0.25 0.20 0.00 -1.26 -4.78 105.19 99.58 3k9a n GLY 47 Ca -0.21 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.19 3k9a n GLY 47 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k9a h SER 48 N -0.06 0.66 -0.57 1.61 4.64 -2.01 -2.49 113.55 115.32 3k9a h SER 48 Ca 0.00 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3k9a h SER 48 Cb 0.00 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 3k9a h SER 48 CO 0.00 0.88 0.31 -0.08 -0.87 0.00 0.00 176.83 177.07 3k9a h GLU 49 N 0.57 0.80 -0.39 4.77 4.57 -1.99 0.20 114.58 123.13 3k9a h GLU 49 Ca 0.08 -0.10 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3k9a h GLU 49 Cb 0.71 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 3k9a h GLU 49 CO 0.05 0.62 0.13 2.35 -1.18 0.00 0.00 179.01 180.98 3k9a h TRP 50 N 0.77 0.22 -0.36 0.92 7.01 -1.86 -1.02 115.95 121.63 3k9a h TRP 50 Ca 0.20 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.17 3k9a h TRP 50 Cb 0.06 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 3k9a h TRP 50 CO -0.01 0.08 0.02 0.93 -2.79 0.00 0.00 178.44 176.67 3k9a h GLU 51 N 0.28 0.56 -0.25 2.65 5.08 -0.97 -1.57 114.58 120.36 3k9a h GLU 51 Ca 0.18 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3k9a h GLU 51 Cb 0.17 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3k9a h GLU 51 CO -0.19 0.57 0.05 -0.09 -1.00 0.00 0.00 179.01 178.35 3k9a h ARG 52 N 0.54 0.40 -0.49 2.33 2.43 0.10 -1.20 114.38 118.48 3k9a h ARG 52 Ca 0.12 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3k9a h ARG 52 Cb 0.32 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3k9a h ARG 52 CO 0.01 0.51 -0.01 0.93 -1.51 0.00 0.00 179.97 179.89 3k9a h GLU 53 N 0.22 0.88 -0.24 0.20 5.08 -1.05 -0.51 114.58 119.15 3k9a h GLU 53 Ca 0.08 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3k9a h GLU 53 Cb 0.29 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3k9a h GLU 53 CO 0.00 0.92 -0.09 0.82 -1.00 0.00 0.00 179.01 179.66 3k9a h ILE 54 N 0.74 0.69 -0.47 3.13 1.08 -1.21 -1.20 117.51 120.26 3k9a h ILE 54 Ca 0.14 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.62 3k9a h ILE 54 Cb 0.53 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3k9a h ILE 54 CO 0.03 0.00 0.29 -1.28 -0.69 0.00 0.00 178.15 176.50 3k9a h SER 55 N -0.05 0.48 -0.26 1.72 0.87 -0.93 -0.05 113.55 115.33 3k9a h SER 55 Ca 0.12 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3k9a h SER 55 Cb 0.24 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3k9a h SER 55 CO -0.28 0.35 0.14 0.78 -0.53 0.00 0.00 176.83 177.29 3k9a h ASN 56 N 0.59 0.22 0.05 6.23 -0.26 -0.70 -1.24 115.58 120.47 3k9a h ASN 56 Ca 0.18 0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.78 3k9a h ASN 56 Cb -0.01 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 3k9a h ASN 56 CO -0.07 0.16 -0.52 1.88 -1.06 0.00 0.00 177.43 177.82 3k9a h TYR 57 N 0.29 0.64 -0.55 1.19 0.05 -1.05 -2.33 116.97 115.22 3k9a h TYR 57 Ca 0.11 -0.22 0.02 0.00 0.05 0.00 0.00 58.73 58.69 3k9a h TYR 57 Cb 0.02 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 3k9a h TYR 57 CO -0.09 0.93 0.33 1.15 -1.05 0.00 0.00 178.16 179.43 3k9a h THR 58 N 0.40 1.07 -0.29 -2.88 2.02 -0.77 -0.06 112.91 112.41 3k9a h THR 58 Ca 0.01 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3k9a h THR 58 Cb 1.04 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3k9a h THR 58 CO 0.10 0.12 0.14 0.44 0.37 0.00 0.00 175.52 176.68 3k9a h ASP 59 N 0.67 0.20 -0.56 4.18 3.32 -1.03 -0.86 116.42 122.33 3k9a h ASP 59 Ca 0.22 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.33 3k9a h ASP 59 Cb 0.01 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 3k9a h ASP 59 CO -0.09 0.15 0.29 0.40 -1.72 0.00 0.00 179.24 178.27 3k9a h ILE 60 N 0.29 0.96 -0.60 0.35 2.04 -1.05 -2.13 117.51 117.37 3k9a h ILE 60 Ca 0.12 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3k9a h ILE 60 Cb 0.05 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3k9a h ILE 60 CO -0.09 0.10 0.08 0.40 0.00 0.00 0.00 178.15 178.64 3k9a h ILE 61 N 0.56 1.26 -0.19 -0.67 2.04 -0.55 -1.47 117.51 118.50 3k9a h ILE 61 Ca 0.25 -1.02 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 3k9a h ILE 61 Cb 0.14 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3k9a h ILE 61 CO -0.16 0.38 -0.32 1.88 0.00 0.00 0.00 178.15 179.92 3k9a h TYR 62 N 0.91 0.43 -0.50 1.37 -1.99 -0.98 0.54 116.97 116.74 3k9a h TYR 62 Ca 0.18 -0.10 -0.11 0.00 2.00 0.00 0.00 58.73 60.70 3k9a h TYR 62 Cb 0.45 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 3k9a h TYR 62 CO 0.03 0.66 -0.12 0.00 -0.00 0.00 0.00 178.16 178.73 3k9a h ARG 63 N 0.33 0.96 -0.55 4.88 2.47 -1.15 -0.86 114.38 120.45 3k9a h ARG 63 Ca 0.04 -0.37 -0.11 0.00 -1.26 0.00 0.00 59.98 58.28 3k9a h ARG 63 Cb 0.73 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 3k9a h ARG 63 CO 0.06 1.04 -0.10 -0.07 0.56 0.00 0.00 179.97 181.45 3k9a h LEU 64 N 0.82 1.04 -0.49 3.04 3.38 -0.94 -0.86 115.31 121.29 3k9a h LEU 64 Ca 0.13 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3k9a h LEU 64 Cb 0.68 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3k9a h LEU 64 CO 0.05 1.14 0.12 0.40 0.09 0.00 0.00 178.44 180.24 3k9a h ILE 65 N 0.93 1.24 -0.23 1.22 2.04 -0.81 0.03 117.51 121.93 3k9a h ILE 65 Ca 0.15 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3k9a h ILE 65 Cb 0.67 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3k9a h ILE 65 CO 0.05 0.31 0.14 -0.08 0.00 0.00 0.00 178.15 178.56 3k9a h GLU 66 N 0.68 0.31 -0.51 2.37 4.81 -1.00 -0.40 114.58 120.84 3k9a h GLU 66 Ca 0.15 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3k9a h GLU 66 Cb 0.34 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3k9a h GLU 66 CO 0.00 0.26 0.20 1.49 -0.73 0.00 0.00 179.01 180.23 3k9a h GLU 67 N 0.28 0.74 -0.34 1.92 4.57 -1.01 -1.84 114.58 118.90 3k9a h GLU 67 Ca 0.08 -0.11 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 3k9a h GLU 67 Cb 0.02 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3k9a h GLU 67 CO -0.02 0.61 -0.40 0.77 -1.18 0.00 0.00 179.01 178.80 3k9a h SER 68 N 0.73 0.89 -0.58 1.04 0.02 -0.62 -0.70 113.55 114.33 3k9a h SER 68 Ca 0.18 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3k9a h SER 68 Cb 0.16 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3k9a h SER 68 CO -0.02 1.18 0.24 1.56 -1.14 0.00 0.00 176.83 178.65 3k9a h GLN 69 N 0.68 0.86 -0.23 3.45 4.20 -0.78 0.18 115.11 123.48 3k9a h GLN 69 Ca 0.05 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3k9a h GLN 69 Cb 0.97 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3k9a h GLN 69 CO 0.09 0.73 0.12 -0.91 -0.67 0.00 0.00 178.83 178.20 3k9a h ASN 70 N 0.80 0.28 -0.66 1.46 2.35 -1.21 -1.88 115.58 116.72 3k9a h ASN 70 Ca 0.19 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3k9a h ASN 70 Cb 0.19 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3k9a h ASN 70 CO -0.02 0.30 0.27 -0.61 -1.65 0.00 0.00 177.43 175.72 3k9a h GLN 71 N 0.25 1.01 -0.56 0.81 5.75 -0.94 -2.25 115.11 119.17 3k9a h GLN 71 Ca 0.08 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.44 3k9a h GLN 71 Cb 0.08 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3k9a h GLN 71 CO -0.01 0.83 0.33 0.37 -2.65 0.00 0.00 178.83 177.69 3k9a h GLN 72 N 0.99 0.62 -0.52 1.69 5.75 -0.38 -0.33 115.11 122.93 3k9a h GLN 72 Ca 0.23 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 3k9a h GLN 72 Cb 0.20 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3k9a h GLN 72 CO -0.02 0.41 0.29 1.49 -2.65 0.00 0.00 178.83 178.35 3k9a h GLU 73 N 0.64 0.72 -0.65 1.69 4.57 -0.93 -1.48 114.58 119.13 3k9a h GLU 73 Ca 0.24 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 3k9a h GLU 73 Cb 0.07 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 3k9a h GLU 73 CO -0.12 0.55 0.25 0.87 -1.18 0.00 0.00 179.01 179.38 3k9a h LYS 74 N 0.69 0.97 -0.79 1.92 1.57 -1.11 -1.89 116.57 117.94 3k9a h LYS 74 Ca 0.18 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3k9a h LYS 74 Cb 0.03 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 3k9a h LYS 74 CO -0.03 0.82 0.40 -0.91 -0.57 0.00 0.00 179.45 179.16 3k9a h ASN 75 N 0.91 1.02 -0.16 0.86 -0.26 -0.82 -1.46 115.58 115.67 3k9a h ASN 75 Ca 0.21 -0.11 -0.16 0.00 -0.56 0.00 0.00 56.30 55.69 3k9a h ASN 75 Cb 0.22 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 3k9a h ASN 75 CO -0.02 0.85 -0.47 -0.33 -1.06 0.00 0.00 177.43 176.40 3k9a h GLU 76 N 1.12 0.72 -0.23 0.81 5.08 -1.06 -0.64 114.58 120.38 3k9a h GLU 76 Ca 0.28 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3k9a h GLU 76 Cb 0.09 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3k9a h GLU 76 CO -0.04 1.04 0.14 1.96 -1.00 0.00 0.00 179.01 181.11 3k9a h GLN 77 N 0.57 0.31 -0.69 2.33 4.20 -1.15 0.76 115.11 121.44 3k9a h GLN 77 Ca 0.03 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3k9a h GLN 77 Cb 1.03 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 3k9a h GLN 77 CO 0.10 0.24 0.46 1.49 -0.67 0.00 0.00 178.83 180.44 3k9a h GLU 78 N 0.29 0.91 -0.32 1.46 4.81 -1.12 -0.31 114.58 120.30 3k9a h GLU 78 Ca 0.08 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3k9a h GLU 78 Cb 0.00 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3k9a h GLU 78 CO -0.02 0.61 0.17 1.25 -0.73 0.00 0.00 179.01 180.29 3k9a h LEU 79 N 0.94 0.27 -0.57 1.64 6.46 -0.87 0.45 115.31 123.63 3k9a h LEU 79 Ca 0.25 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.03 3k9a h LEU 79 Cb -0.11 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 3k9a h LEU 79 CO -0.05 0.20 0.38 -0.07 -0.62 0.00 0.00 178.44 178.27 3k9a h LEU 80 N 0.36 0.65 -0.23 2.25 3.38 -0.27 0.19 115.31 121.63 3k9a h LEU 80 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3k9a h LEU 80 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3k9a h LEU 80 CO -0.08 0.47 0.05 0.00 0.09 0.00 0.00 178.44 178.97 3k9a h ALA 81 N 1.21 0.31 -0.52 1.53 0.00 -0.86 -1.04 119.26 119.89 3k9a h ALA 81 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3k9a h ALA 81 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3k9a h ALA 81 CO -0.05 -0.03 0.29 1.25 0.00 0.00 0.00 179.25 180.71 3k9a h LEU 82 N 0.20 0.65 -0.73 0.00 7.12 -0.66 0.27 115.31 122.15 3k9a h LEU 82 Ca 0.07 -0.09 0.03 0.00 0.13 0.00 0.00 57.88 58.02 3k9a h LEU 82 Cb 0.30 -0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 40.22 3k9a h LEU 82 CO 0.00 0.55 0.47 -0.78 -0.13 0.00 0.00 178.44 178.55 3k9a h ASP 83 N 0.70 0.77 -0.38 1.25 3.58 -0.52 -0.18 116.42 121.64 3k9a h ASP 83 Ca 0.18 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.54 3k9a h ASP 83 Cb 0.05 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3k9a h ASP 83 CO -0.03 0.54 -0.10 0.50 -2.88 0.00 0.00 179.24 177.27 3k9a h LYS 84 N 0.92 0.74 -0.83 0.28 3.11 -0.79 -1.24 116.57 118.77 3k9a h LYS 84 Ca 0.29 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3k9a h LYS 84 Cb -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.14 3k9a h LYS 84 CO -0.10 0.89 0.52 2.35 -2.81 0.00 0.00 179.45 180.30 3k9a h TRP 85 N 0.55 1.07 -0.14 1.91 7.01 -0.62 -2.02 115.95 123.70 3k9a h TRP 85 Ca 0.10 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 60.96 3k9a h TRP 85 Cb 0.62 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 3k9a h TRP 85 CO 0.05 0.70 -0.54 0.00 -2.79 0.00 0.00 178.44 175.86 3k9a h ALA 86 N 1.28 0.81 0.00 2.65 0.00 -0.89 -2.64 119.26 120.46 3k9a h ALA 86 Ca 0.30 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3k9a h ALA 86 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3k9a h ALA 86 CO -0.06 0.69 -0.12 0.66 0.00 0.00 0.00 179.25 180.42 3k9a h SER 87 N 0.32 0.00 0.12 0.00 4.64 -0.90 -2.19 113.55 115.55 3k9a h SER 87 Ca 0.01 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.07 3k9a h SER 87 Cb 1.05 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.17 3k9a h SER 87 CO 0.09 0.12 -1.10 -0.07 -0.87 0.00 0.00 176.83 175.00 3k9a h LEU 88 N 0.00 0.75 0.00 5.97 3.38 -1.26 -2.92 115.31 121.24 3k9a h LEU 88 Ca -0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 3k9a h LEU 88 Cb 0.84 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3k9a h LEU 88 CO 0.02 1.53 0.00 0.79 0.09 0.00 0.00 178.44 180.87 3k9a n TRP 89 N -3.91 0.00 -0.10 1.13 5.03 -1.01 -1.73 117.44 116.86 3k9a n TRP 89 Ca -0.14 0.00 -0.18 0.00 3.03 0.00 0.00 57.50 60.21 3k9a n TRP 89 Cb 0.92 -0.07 -0.10 0.00 -1.03 0.00 0.00 31.31 31.04 3k9a n TRP 89 CO 0.00 0.00 0.00 -2.95 -0.03 0.00 0.00 177.69 174.71 3k9a h ASN 90 N 0.00 0.00 -0.60 -0.99 7.08 -1.29 -3.35 115.58 116.43 3k9a h ASN 90 Ca 0.00 -0.48 -0.07 0.00 -3.08 0.00 0.00 56.30 52.68 3k9a h ASN 90 Cb 0.04 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.26 3k9a h ASN 90 CO 0.00 1.32 0.12 4.11 -2.08 0.00 0.00 177.43 180.90 3k9a h TRP 91 N -1.00 1.04 0.00 4.14 0.09 -1.32 -2.55 115.95 116.35 3k9a h TRP 91 Ca -0.26 -0.14 0.00 0.00 0.09 0.00 0.00 58.89 58.58 3k9a h TRP 91 Cb 1.14 -0.29 0.00 0.00 0.08 0.00 0.00 29.16 30.09 3k9a h TRP 91 CO 0.07 0.89 0.00 1.19 0.09 0.00 0.00 178.44 180.68 3k9a n PHE 92 N -4.32 0.00 -2.04 0.12 0.99 -0.71 -3.31 117.46 108.19 3k9a n PHE 92 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.08 3k9a n PHE 92 Cb 0.26 -0.45 0.04 0.00 -1.00 0.00 0.00 39.48 38.33 3k9a n PHE 92 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3k9a n ASP 93 N -1.45 7.49 0.00 4.37 8.00 -0.96 -5.07 116.55 128.93 3k9a n ASP 93 Ca 0.03 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.71 3k9a n ASP 93 Cb 0.10 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 3k9a n ASP 93 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11