#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q0k n ASP 3 N -0.62 -3.77 -0.07 0.00 2.03 -1.26 -4.95 116.55 107.91 1q0k n ASP 3 Ca 0.08 0.15 -0.11 0.00 0.52 0.00 0.00 54.79 55.43 1q0k n ASP 3 Cb 0.41 -1.81 -0.05 0.00 -0.72 0.00 0.00 41.12 38.94 1q0k n ASP 3 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1q0k h LEU 4 N 0.00 0.35-10.40 -2.67 5.85 -2.03 -3.46 115.31 102.95 1q0k h LEU 4 Ca -0.13 -0.27 -0.48 0.00 0.84 0.00 0.00 57.88 57.84 1q0k h LEU 4 Cb 0.41 -0.09 0.05 0.00 0.37 0.00 0.00 40.66 41.40 1q0k h LEU 4 CO 0.19 0.54 0.20 -2.16 -0.34 0.00 0.00 178.44 176.86 1q0k s PRO 5 N -5.13 3.08 -0.02 5.25 0.04 -1.26 -5.13 135.00 131.84 1q0k s PRO 5 Ca -0.14 0.13 0.20 0.00 0.04 0.00 0.00 61.00 61.23 1q0k s PRO 5 Cb 0.07 -2.26 -0.27 0.00 0.04 0.00 0.00 34.50 32.08 1q0k s PRO 5 CO 0.73 -0.63 0.58 0.00 0.04 0.00 0.00 177.00 177.72 1q0k n GLY 7 N 1.40 0.47 3.14 0.00 0.00 -1.26 -4.98 105.19 103.96 1q0k n GLY 7 Ca -0.01 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1q0k n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q0k s VAL 8 N -1.99 2.57 0.05 1.61 1.01 -1.26 -4.98 120.40 117.42 1q0k s VAL 8 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1q0k s VAL 8 Cb 0.00 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1q0k s VAL 8 CO 0.00 0.10 -0.04 -0.31 0.00 0.00 0.00 175.10 174.84 1q0k s TYR 9 N 1.23 0.57 -0.30 5.22 1.51 -1.26 -1.25 117.35 123.08 1q0k s TYR 9 Ca -0.03 -0.84 -0.13 0.00 -1.01 0.00 0.00 57.07 55.06 1q0k s TYR 9 Cb -0.18 -0.38 0.17 0.00 -0.11 0.00 0.00 41.96 41.46 1q0k s TYR 9 CO -0.05 -0.25 0.93 0.34 -1.11 0.00 0.00 175.55 175.42 1q0k s ASP 10 N -2.47 -0.69 0.27 2.29 -1.08 -1.26 -5.01 116.67 108.73 1q0k s ASP 10 Ca 0.01 0.74 0.15 0.00 -0.52 0.00 0.00 52.55 52.93 1q0k s ASP 10 Cb 0.01 1.70 0.80 0.00 -1.46 0.00 0.00 42.92 43.98 1q0k s ASP 10 CO -0.05 -0.13 1.40 -2.65 0.52 0.00 0.00 175.17 174.25 1q0k n PRO 11 N 5.18 0.10 0.02 4.34 -0.02 -1.26 -1.66 135.00 141.69 1q0k n PRO 11 Ca -0.08 0.57 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 1q0k n PRO 11 Cb 0.52 -1.95 0.44 0.00 -0.02 0.00 0.00 33.50 32.50 1q0k n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q0k h ALA 12 N 1.64 1.74 -0.99 3.55 0.00 -1.98 -1.31 119.26 121.91 1q0k h ALA 12 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1q0k h ALA 12 Cb 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1q0k h ALA 12 CO 0.00 0.24 0.65 1.96 0.00 0.00 0.00 179.25 182.10 1q0k h GLN 13 N 0.51 1.21 -0.11 0.00 4.20 -1.75 -0.66 115.11 118.50 1q0k h GLN 13 Ca 0.14 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 1q0k h GLN 13 Cb -0.04 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 27.48 1q0k h GLN 13 CO -0.03 0.80 -0.61 0.00 -0.67 0.00 0.00 178.83 178.32 1q0k h ALA 14 N 1.43 0.22 0.06 3.87 0.00 -1.47 -3.22 119.26 120.14 1q0k h ALA 14 Ca 0.40 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1q0k h ALA 14 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1q0k h ALA 14 CO -0.13 0.48 -0.03 -0.09 0.00 0.00 0.00 179.25 179.49 1q0k h ARG 15 N 0.25 -0.08 -0.74 0.00 2.43 -0.85 -1.07 114.38 114.32 1q0k h ARG 15 Ca -0.04 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1q0k h ARG 15 Cb 1.25 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 1q0k h ARG 15 CO 0.13 -0.05 0.38 0.82 -1.51 0.00 0.00 179.97 179.74 1q0k h ILE 16 N -0.09 0.85 -0.38 1.20 2.04 -1.25 0.60 117.51 120.48 1q0k h ILE 16 Ca -0.01 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1q0k h ILE 16 Cb 0.07 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1q0k h ILE 16 CO 0.01 0.12 -0.17 -0.33 0.00 0.00 0.00 178.15 177.78 1q0k h GLU 17 N 0.64 0.79 -0.10 2.37 4.39 -1.53 -2.58 114.58 118.55 1q0k h GLU 17 Ca 0.37 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1q0k h GLU 17 Cb 0.39 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1q0k h GLU 17 CO -0.27 0.96 -0.22 0.00 -1.16 0.00 0.00 179.01 178.32 1q0k h ALA 18 N 0.80 1.46 -0.44 3.43 0.00 -0.13 -1.65 119.26 122.74 1q0k h ALA 18 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1q0k h ALA 18 Cb 0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1q0k h ALA 18 CO 0.05 0.38 0.06 0.93 0.00 0.00 0.00 179.25 180.68 1q0k h GLU 19 N 0.15 0.69 -0.36 0.00 5.08 0.48 -1.84 114.58 118.77 1q0k h GLU 19 Ca 0.03 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1q0k h GLU 19 Cb 0.47 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1q0k h GLU 19 CO 0.03 0.66 -0.18 0.77 -1.00 0.00 0.00 179.01 179.29 1q0k h SER 20 N 0.66 0.67 -0.49 1.42 0.02 -0.94 -0.79 113.55 114.10 1q0k h SER 20 Ca 0.14 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1q0k h SER 20 Cb 0.32 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1q0k h SER 20 CO 0.01 0.86 0.31 0.58 -1.14 0.00 0.00 176.83 177.44 1q0k h VAL 21 N 0.60 1.14 -0.23 2.27 2.07 -0.90 0.15 116.25 121.34 1q0k h VAL 21 Ca 0.09 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 1q0k h VAL 21 Cb 0.64 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1q0k h VAL 21 CO 0.05 0.13 -0.38 0.50 0.02 0.00 0.00 177.57 177.89 1q0k h LYS 22 N 0.66 0.67 -0.98 1.57 3.64 -1.19 -2.11 116.57 118.82 1q0k h LYS 22 Ca 0.18 -0.41 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1q0k h LYS 22 Cb -0.05 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1q0k h LYS 22 CO -0.04 1.02 0.64 0.00 -2.27 0.00 0.00 179.45 178.81 1q0k h ALA 23 N 0.64 1.36 -0.49 5.00 0.00 -0.92 -1.35 119.26 123.49 1q0k h ALA 23 Ca 0.02 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1q0k h ALA 23 Cb 0.97 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1q0k h ALA 23 CO 0.09 0.55 -0.19 0.82 0.00 0.00 0.00 179.25 180.52 1q0k h ILE 24 N 1.25 1.27 -0.23 0.00 2.04 -0.62 -2.01 117.51 119.20 1q0k h ILE 24 Ca 0.39 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 1q0k h ILE 24 Cb -0.00 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1q0k h ILE 24 CO -0.12 0.47 0.13 1.56 0.00 0.00 0.00 178.15 180.19 1q0k h GLN 25 N 0.86 0.32 -0.82 2.37 4.20 -0.71 0.58 115.11 121.92 1q0k h GLN 25 Ca 0.12 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1q0k h GLN 25 Cb 0.77 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.43 1q0k h GLN 25 CO 0.06 0.29 0.51 0.93 -0.67 0.00 0.00 178.83 179.95 1q0k h GLU 26 N 0.27 0.92 -0.18 1.46 5.08 -1.19 0.49 114.58 121.43 1q0k h GLU 26 Ca 0.08 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1q0k h GLU 26 Cb 0.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1q0k h GLU 26 CO -0.01 0.61 -0.21 0.87 -1.00 0.00 0.00 179.01 179.26 1q0k h LYS 27 N 0.95 0.32 -0.22 2.33 1.57 -0.95 -2.66 116.57 117.92 1q0k h LYS 27 Ca 0.35 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 1q0k h LYS 27 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1q0k h LYS 27 CO -0.15 0.53 -0.22 0.52 -0.57 0.00 0.00 179.45 179.56 1q0k h MET 28 N 0.30 0.39 -0.12 3.15 2.86 0.12 -1.88 114.93 119.74 1q0k h MET 28 Ca 0.05 -0.13 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1q0k h MET 28 Cb 0.55 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1q0k h MET 28 CO 0.04 0.59 -0.49 0.00 1.06 0.00 0.00 176.91 178.11 1q0k h ALA 29 N 1.43 0.95 0.00 6.32 0.00 -0.86 -3.29 119.26 123.81 1q0k h ALA 29 Ca 0.06 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1q0k h ALA 29 Cb 0.58 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1q0k h ALA 29 CO 0.04 0.65 -1.22 0.00 0.00 0.00 0.00 179.25 178.72 1q0k h ALA 30 N 1.24 0.61 -3.82 0.00 0.00 -1.36 -3.44 119.26 112.49 1q0k h ALA 30 Ca 0.01 -0.98 -0.67 0.00 0.00 0.00 0.00 54.91 53.27 1q0k h ALA 30 Cb 0.95 0.15 -0.37 0.00 0.00 0.00 0.00 17.79 18.52 1q0k h ALA 30 CO 0.08 1.16 -0.78 1.21 0.00 0.00 0.00 179.25 180.92 1q0k s ASN 31 N -6.26 4.52 -0.06 0.00 2.47 -0.73 -4.99 114.94 109.90 1q0k s ASN 31 Ca -0.01 -1.46 0.14 0.00 0.42 0.00 0.00 52.86 51.95 1q0k s ASN 31 Cb 0.09 -1.57 0.49 0.00 -1.45 0.00 0.00 41.25 38.80 1q0k s ASN 31 CO 0.81 -0.22 1.37 0.47 -3.72 0.00 0.00 177.10 175.81 1q0k n ASP 32 N 4.43 3.25 -4.74 -4.21 8.00 -1.26 -4.70 116.55 117.32 1q0k n ASP 32 Ca -0.12 -2.22 -0.42 0.00 0.71 0.00 0.00 54.79 52.74 1q0k n ASP 32 Cb 0.42 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 1q0k n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q0k s ASP 33 N -0.84 6.42 0.11 -2.24 2.15 -1.26 -4.87 116.67 116.14 1q0k s ASP 33 Ca 0.35 2.87 -0.29 0.00 0.43 0.00 0.00 52.55 55.92 1q0k s ASP 33 Cb 0.21 -2.62 -0.08 0.00 -0.30 0.00 0.00 42.92 40.13 1q0k s ASP 33 CO 0.19 -0.91 1.62 0.25 -0.17 0.00 0.00 175.17 176.15 1q0k h LEU 34 N 5.66 -0.95 -1.72 -1.34 5.85 -1.99 -0.46 115.31 120.35 1q0k h LEU 34 Ca -0.45 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.45 1q0k h LEU 34 Cb 1.21 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 1q0k h LEU 34 CO 0.85 -0.42 0.32 0.45 -0.34 0.00 0.00 178.44 179.31 1q0k h HIS 35 N -0.56 0.34 -0.20 1.25 3.86 -1.99 0.66 115.15 118.51 1q0k h HIS 35 Ca 0.03 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.11 1q0k h HIS 35 Cb 0.59 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1q0k h HIS 35 CO -0.29 0.17 -0.39 0.35 0.86 0.00 0.00 177.93 178.63 1q0k h PHE 36 N 0.33 0.79 -0.91 2.45 3.57 -1.82 -1.89 116.94 119.46 1q0k h PHE 36 Ca 0.21 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1q0k h PHE 36 Cb 0.42 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1q0k h PHE 36 CO -0.00 1.04 0.61 1.96 -2.23 0.00 0.00 178.31 179.69 1q0k h GLN 37 N 0.31 1.20 0.20 1.11 1.08 0.45 0.28 115.11 119.73 1q0k h GLN 37 Ca 0.01 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1q0k h GLN 37 Cb 0.99 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1q0k h GLN 37 CO 0.09 0.79 -0.10 0.82 -0.95 0.00 0.00 178.83 179.48 1q0k h ILE 38 N 1.23 0.87 -0.84 2.54 2.04 -0.85 -0.82 117.51 121.68 1q0k h ILE 38 Ca 0.34 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1q0k h ILE 38 Cb -0.13 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1q0k h ILE 38 CO -0.08 0.08 0.45 0.03 0.00 0.00 0.00 178.15 178.63 1q0k h ARG 39 N -0.43 1.17 -0.62 2.37 3.08 -1.08 -2.02 114.38 116.84 1q0k h ARG 39 Ca -0.03 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 1q0k h ARG 39 Cb 0.33 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1q0k h ARG 39 CO 0.05 0.86 0.04 0.00 -1.07 0.00 0.00 179.97 179.85 1q0k h ALA 40 N 1.24 0.90 -0.21 0.04 0.00 -0.38 -1.50 119.26 119.36 1q0k h ALA 40 Ca 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1q0k h ALA 40 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1q0k h ALA 40 CO -0.05 0.66 0.07 1.15 0.00 0.00 0.00 179.25 181.08 1q0k h THR 41 N 0.98 1.18 -0.08 0.00 2.02 -0.85 -0.41 112.91 115.75 1q0k h THR 41 Ca 0.18 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.81 1q0k h THR 41 Cb 0.51 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1q0k h THR 41 CO 0.02 0.18 -0.05 0.58 0.37 0.00 0.00 175.52 176.63 1q0k h VAL 42 N 0.17 0.84 -0.47 3.16 2.07 -1.27 -1.68 116.25 119.07 1q0k h VAL 42 Ca 0.07 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.47 1q0k h VAL 42 Cb 0.22 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1q0k h VAL 42 CO -0.00 0.00 -0.17 0.40 0.02 0.00 0.00 177.57 177.81 1q0k h ILE 43 N -0.05 1.27 -0.74 4.57 2.04 -1.23 -2.65 117.51 120.71 1q0k h ILE 43 Ca 0.05 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 1q0k h ILE 43 Cb 0.13 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1q0k h ILE 43 CO -0.12 0.45 0.32 0.50 0.00 0.00 0.00 178.15 179.31 1q0k h LYS 44 N 0.81 1.08 -0.09 2.37 3.64 -0.93 -0.87 116.57 122.57 1q0k h LYS 44 Ca 0.12 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1q0k h LYS 44 Cb 0.72 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1q0k h LYS 44 CO 0.06 0.85 -0.04 1.49 -2.27 0.00 0.00 179.45 179.54 1q0k h GLU 45 N 1.06 -0.03 -0.21 1.90 4.57 -1.08 -0.32 114.58 120.47 1q0k h GLU 45 Ca 0.25 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1q0k h GLU 45 Cb 0.15 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1q0k h GLU 45 CO -0.03 -0.02 0.11 1.96 -1.18 0.00 0.00 179.01 179.85 1q0k h GLN 46 N -0.03 0.29 -0.30 1.92 4.20 -1.11 -0.98 115.11 119.10 1q0k h GLN 46 Ca 0.05 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1q0k h GLN 46 Cb 0.11 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1q0k h GLN 46 CO -0.11 0.29 -0.09 0.00 -0.67 0.00 0.00 178.83 178.25 1q0k h ARG 47 N 0.22 0.49 -0.15 1.46 2.47 -1.03 -0.62 114.38 117.22 1q0k h ARG 47 Ca 0.07 -0.13 -0.16 0.00 -1.26 0.00 0.00 59.98 58.50 1q0k h ARG 47 Cb 0.09 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1q0k h ARG 47 CO -0.01 0.58 -0.59 0.00 0.56 0.00 0.00 179.97 180.52 1q0k h ALA 48 N 1.45 0.69 -0.43 0.04 0.00 -0.85 -1.70 119.26 118.47 1q0k h ALA 48 Ca 0.09 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1q0k h ALA 48 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1q0k h ALA 48 CO 0.02 0.70 -0.20 1.49 0.00 0.00 0.00 179.25 181.26 1q0k h GLU 49 N 0.38 0.84 -0.19 0.00 4.57 -0.65 -0.96 114.58 118.56 1q0k h GLU 49 Ca -0.00 -0.33 -0.10 0.00 -1.18 0.00 0.00 59.36 57.74 1q0k h GLU 49 Cb 1.13 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1q0k h GLU 49 CO 0.11 0.97 -0.32 -0.07 -1.18 0.00 0.00 179.01 178.52 1q0k h LEU 50 N 0.73 0.39 -0.26 1.64 3.38 -0.99 -1.14 115.31 119.07 1q0k h LEU 50 Ca 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1q0k h LEU 50 Cb 0.73 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1q0k h LEU 50 CO 0.06 0.69 0.03 0.00 0.09 0.00 0.00 178.44 179.31 1q0k h ALA 51 N 1.33 0.34 -0.59 1.53 0.00 -0.79 -1.39 119.26 119.70 1q0k h ALA 51 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1q0k h ALA 51 Cb 0.72 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1q0k h ALA 51 CO 0.06 0.05 0.37 0.87 0.00 0.00 0.00 179.25 180.60 1q0k h LYS 52 N 0.24 0.73 -0.34 0.00 1.57 -0.93 -1.86 116.57 115.97 1q0k h LYS 52 Ca 0.08 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1q0k h LYS 52 Cb 0.36 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1q0k h LYS 52 CO 0.01 0.48 0.15 1.25 -0.57 0.00 0.00 179.45 180.77 1q0k h HIS 53 N 0.75 0.28 -1.00 -1.35 2.76 -1.04 0.16 115.15 115.70 1q0k h HIS 53 Ca 0.23 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1q0k h HIS 53 Cb -0.02 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 1q0k h HIS 53 CO -0.05 0.14 0.66 0.45 -1.30 0.00 0.00 177.93 177.83 1q0k h HIS 54 N 0.32 1.26 -0.22 5.26 3.86 -0.81 -1.09 115.15 123.72 1q0k h HIS 54 Ca 0.15 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.23 1q0k h HIS 54 Cb 0.09 -0.42 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1q0k h HIS 54 CO -0.12 0.78 -0.53 -0.07 0.86 0.00 0.00 177.93 178.86 1q0k h LEU 55 N 1.34 0.70 -1.07 2.43 3.38 -0.82 -2.60 115.31 118.67 1q0k h LEU 55 Ca 0.37 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1q0k h LEU 55 Cb -0.13 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 1q0k h LEU 55 CO -0.09 1.09 0.41 0.44 0.09 0.00 0.00 178.44 180.38 1q0k h ASP 56 N 0.49 0.94 -0.44 -0.43 3.32 -0.02 -1.52 116.42 118.77 1q0k h ASP 56 Ca 0.02 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1q0k h ASP 56 Cb 1.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1q0k h ASP 56 CO 0.10 0.76 0.05 0.58 -1.72 0.00 0.00 179.24 179.01 1q0k h VAL 57 N 1.06 1.25 -0.25 -1.35 2.07 -1.07 0.69 116.25 118.65 1q0k h VAL 57 Ca 0.27 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1q0k h VAL 57 Cb 0.04 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1q0k h VAL 57 CO -0.04 0.33 0.15 -0.07 0.02 0.00 0.00 177.57 177.95 1q0k h LEU 58 N 0.60 0.25 -0.19 2.57 3.38 -1.06 0.42 115.31 121.27 1q0k h LEU 58 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1q0k h LEU 58 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1q0k h LEU 58 CO 0.01 0.18 0.12 -0.25 0.09 0.00 0.00 178.44 178.59 1q0k h TRP 59 N 0.31 0.25 0.11 1.13 7.01 -1.10 0.73 115.95 124.39 1q0k h TRP 59 Ca 0.10 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.80 1q0k h TRP 59 Cb -0.01 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1q0k h TRP 59 CO -0.08 0.19 -1.48 0.66 -2.79 0.00 0.00 178.44 174.95 1q0k h SER 60 N 0.24 0.36 0.00 2.65 4.64 -0.75 -3.39 113.55 117.30 1q0k h SER 60 Ca 0.07 -0.48 -0.42 0.00 -0.47 0.00 0.00 61.79 60.49 1q0k h SER 60 Cb 0.01 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 61.92 1q0k h SER 60 CO -0.01 1.40 -2.43 0.47 -0.87 0.00 0.00 176.83 175.38 1q0k n ASP 61 N -3.44 1.90 0.05 4.97 9.92 0.15 -4.82 116.55 125.28 1q0k n ASP 61 Ca -0.15 0.20 -0.05 0.00 -0.53 0.00 0.00 54.79 54.27 1q0k n ASP 61 Cb 1.04 -0.66 -0.03 0.00 -0.64 0.00 0.00 41.12 40.83 1q0k n ASP 61 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1q0k h TYR 62 N -0.68 -0.22 -2.52 1.24 3.20 -1.03 -3.44 116.97 113.51 1q0k h TYR 62 Ca -0.63 -0.01 -0.54 0.00 3.14 0.00 0.00 58.73 60.70 1q0k h TYR 62 Cb 1.64 0.07 0.01 0.00 1.54 0.00 0.00 36.73 40.00 1q0k h TYR 62 CO -0.05 -0.08 1.14 -0.06 -1.64 0.00 0.00 178.16 177.46 1q0k s PHE 63 N -2.42 1.75 0.50 -3.82 0.08 0.13 -5.00 117.98 109.21 1q0k s PHE 63 Ca -0.05 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 56.97 1q0k s PHE 63 Cb 0.00 -4.06 0.02 0.00 -0.57 0.00 0.00 43.02 38.41 1q0k s PHE 63 CO 0.15 -4.59 0.71 0.15 -0.10 0.00 0.00 175.22 171.54 1q0k s LYS 64 N 4.00 2.68 0.27 0.44 -0.14 -1.26 -4.79 119.74 120.94 1q0k s LYS 64 Ca 0.80 -0.86 -0.00 0.00 -1.36 0.00 0.00 55.97 54.54 1q0k s LYS 64 Cb -0.38 -2.57 0.58 0.00 -1.68 0.00 0.00 37.83 33.78 1q0k s LYS 64 CO 0.35 -0.54 1.73 -1.35 -0.76 0.00 0.00 175.35 174.78 1q0k h PRO 65 N 0.26 0.49 -0.33 -1.68 0.11 -1.99 -0.69 132.00 128.18 1q0k h PRO 65 Ca -0.42 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1q0k h PRO 65 Cb 1.29 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1q0k h PRO 65 CO 0.51 0.33 0.18 -1.35 -0.21 0.00 0.00 178.00 177.45 1q0k h PRO 66 N 0.51 0.44 -0.70 1.05 0.11 -2.00 -2.27 132.00 129.13 1q0k h PRO 66 Ca 0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.50 1q0k h PRO 66 Cb 0.78 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 1q0k h PRO 66 CO -0.43 0.33 0.24 0.45 -0.21 0.00 0.00 178.00 178.37 1q0k h HIS 67 N 0.45 1.12 0.00 0.65 3.86 -1.50 -1.34 115.15 118.38 1q0k h HIS 67 Ca 0.12 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 1q0k h HIS 67 Cb 0.02 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 1q0k h HIS 67 CO 0.00 0.89 -0.40 0.74 0.86 0.00 0.00 177.93 180.02 1q0k h PHE 68 N 1.03 0.00 0.10 2.45 0.04 -1.25 -0.79 116.94 118.52 1q0k h PHE 68 Ca 0.23 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1q0k h PHE 68 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1q0k h PHE 68 CO 0.02 0.40 -0.05 0.93 -0.60 0.00 0.00 178.31 179.01 1q0k h GLU 69 N 0.00 -0.13 0.00 1.51 4.39 -1.09 -1.59 114.58 117.66 1q0k h GLU 69 Ca -0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1q0k h GLU 69 Cb 0.80 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1q0k h GLU 69 CO 0.05 0.31 -0.07 0.77 -1.16 0.00 0.00 179.01 178.91 1q0k h SER 70 N -0.64 0.00 -2.11 1.42 0.02 -1.11 -3.23 113.55 107.91 1q0k h SER 70 Ca -0.01 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.36 1q0k h SER 70 Cb 0.51 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.65 1q0k h SER 70 CO 0.02 0.07 -0.95 -1.22 -1.14 0.00 0.00 176.83 173.62 1q0k n TYR 71 N -3.75 0.74 0.00 3.45 4.01 -0.31 -4.97 117.16 116.32 1q0k n TYR 71 Ca -0.02 -3.72 0.00 0.00 -0.16 0.00 0.00 57.90 54.00 1q0k n TYR 71 Cb 0.17 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 1q0k n TYR 71 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1q0k n PRO 72 N 1.39 0.00 0.00 -0.72 -0.04 -0.61 -0.74 135.00 134.28 1q0k n PRO 72 Ca 0.24 0.16 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 1q0k n PRO 72 Cb 0.49 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1q0k n PRO 72 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1q0k n GLU 73 N -1.11 1.77 -0.31 0.54 -0.58 -1.26 -4.60 120.64 115.09 1q0k n GLU 73 Ca 0.00 -0.78 0.02 0.00 -0.42 0.00 0.00 57.16 55.98 1q0k n GLU 73 Cb 0.03 -1.20 0.15 0.00 -0.57 0.00 0.00 31.44 29.85 1q0k n GLU 73 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1q0k h LEU 74 N 1.62 0.81 -0.00 -4.62 5.85 -1.26 -0.15 115.31 117.56 1q0k h LEU 74 Ca 0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1q0k h LEU 74 Cb 0.47 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1q0k h LEU 74 CO 0.00 0.50 -0.23 0.45 -0.34 0.00 0.00 178.44 178.81 1q0k h HIS 75 N 0.93 -0.62 -0.66 1.25 3.86 -1.81 0.32 115.15 118.42 1q0k h HIS 75 Ca 0.39 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.59 1q0k h HIS 75 Cb 0.24 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 1q0k h HIS 75 CO -0.04 -0.32 0.29 1.15 0.86 0.00 0.00 177.93 179.87 1q0k h THR 76 N -0.37 1.23 -0.01 2.45 2.02 -1.77 -1.28 112.91 115.18 1q0k h THR 76 Ca 0.06 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.57 1q0k h THR 76 Cb 0.45 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1q0k h THR 76 CO -0.21 0.28 -0.13 0.25 0.37 0.00 0.00 175.52 176.08 1q0k h LEU 77 N 0.92 -0.39 -0.88 2.58 5.85 -0.50 0.12 115.31 123.00 1q0k h LEU 77 Ca 0.22 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 1q0k h LEU 77 Cb 0.17 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1q0k h LEU 77 CO -0.02 -0.19 -0.07 0.58 -0.34 0.00 0.00 178.44 178.40 1q0k h VAL 78 N -0.22 1.25 -0.42 1.05 2.07 -0.83 -0.99 116.25 118.16 1q0k h VAL 78 Ca 0.05 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 1q0k h VAL 78 Cb 0.29 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1q0k h VAL 78 CO -0.14 0.37 -0.11 -1.13 0.02 0.00 0.00 177.57 176.58 1q0k h ASN 79 N 0.69 0.73 0.07 0.57 -0.73 -0.75 -1.07 115.58 115.10 1q0k h ASN 79 Ca 0.13 -0.22 -0.16 0.00 1.87 0.00 0.00 56.30 57.92 1q0k h ASN 79 Cb 0.52 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 1q0k h ASN 79 CO 0.03 0.87 -0.55 -0.33 -0.37 0.00 0.00 177.43 177.08 1q0k h GLU 80 N 0.68 0.51 -0.02 6.67 5.08 -0.55 -1.94 114.58 125.00 1q0k h GLU 80 Ca 0.12 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1q0k h GLU 80 Cb 0.58 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1q0k h GLU 80 CO 0.04 0.92 0.01 0.00 -1.00 0.00 0.00 179.01 178.98 1q0k h ALA 81 N 1.01 0.03 -0.63 3.43 0.00 -0.68 0.38 119.26 122.81 1q0k h ALA 81 Ca 0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1q0k h ALA 81 Cb 1.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1q0k h ALA 81 CO 0.10 -0.44 0.05 -0.39 0.00 0.00 0.00 179.25 178.57 1q0k h VAL 82 N -0.03 1.26 -0.32 0.00 -1.51 -1.17 -1.76 116.25 112.73 1q0k h VAL 82 Ca 0.01 -1.10 -0.07 0.00 -1.23 0.00 0.00 66.70 64.31 1q0k h VAL 82 Cb 0.06 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 29.94 1q0k h VAL 82 CO -0.00 0.40 -0.12 0.11 -1.23 0.00 0.00 177.57 176.74 1q0k h LYS 83 N 0.99 0.54 -0.71 5.19 1.57 -1.16 -0.74 116.57 122.25 1q0k h LYS 83 Ca 0.18 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1q0k h LYS 83 Cb 0.51 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1q0k h LYS 83 CO 0.02 0.65 0.34 0.00 -0.57 0.00 0.00 179.45 179.89 1q0k h ALA 84 N 1.38 1.26 -0.51 3.86 0.00 0.28 0.18 119.26 125.71 1q0k h ALA 84 Ca 0.09 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1q0k h ALA 84 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1q0k h ALA 84 CO 0.03 0.57 -0.16 -0.07 0.00 0.00 0.00 179.25 179.62 1q0k h LEU 85 N 1.01 1.01 -0.81 0.00 3.38 -0.52 -0.87 115.31 118.51 1q0k h LEU 85 Ca 0.25 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1q0k h LEU 85 Cb 0.11 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1q0k h LEU 85 CO -0.03 1.15 0.45 0.28 0.09 0.00 0.00 178.44 180.38 1q0k h SER 86 N 0.88 1.01 -0.79 -0.43 0.02 -0.41 -1.37 113.55 112.46 1q0k h SER 86 Ca 0.13 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1q0k h SER 86 Cb 0.73 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1q0k h SER 86 CO 0.06 0.81 0.32 0.00 -1.14 0.00 0.00 176.83 176.87 1q0k h ALA 87 N 1.24 1.02 -0.49 3.77 0.00 -0.67 -2.12 119.26 122.00 1q0k h ALA 87 Ca 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q0k h ALA 87 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1q0k h ALA 87 CO -0.05 0.65 0.30 0.00 0.00 0.00 0.00 179.25 180.15 1q0k h ALA 88 N 1.17 1.60 -0.91 0.00 0.00 -0.28 -1.99 119.26 118.84 1q0k h ALA 88 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1q0k h ALA 88 Cb 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1q0k h ALA 88 CO -0.02 0.35 0.54 0.87 0.00 0.00 0.00 179.25 180.99 1q0k h LYS 89 N 0.68 1.25 -0.89 0.00 1.57 -0.59 -2.41 116.57 116.17 1q0k h LYS 89 Ca 0.18 -0.12 -0.27 0.00 -1.87 0.00 0.00 60.65 58.56 1q0k h LYS 89 Cb -0.03 -0.26 -0.16 0.00 0.08 0.00 0.00 32.23 31.86 1q0k h LYS 89 CO -0.03 0.88 0.35 0.00 -0.57 0.00 0.00 179.45 180.07 1q0k n ALA 90 N -2.40 4.52 -3.11 3.86 0.00 -0.77 -4.88 120.51 117.72 1q0k n ALA 90 Ca 0.10 -2.04 -0.12 0.00 0.00 0.00 0.00 53.44 51.38 1q0k n ALA 90 Cb 0.07 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 1q0k n ALA 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1q0k s SER 91 N -0.76 -0.11 0.00 0.00 0.15 -0.91 -5.01 113.70 107.06 1q0k s SER 91 Ca 0.45 0.13 0.16 0.00 0.70 0.00 0.00 55.95 57.39 1q0k s SER 91 Cb 0.37 0.32 0.24 0.00 -1.71 0.00 0.00 66.02 65.24 1q0k s SER 91 CO 0.10 -0.23 1.15 0.35 1.20 0.00 0.00 173.24 175.81 1q0k n THR 92 N 2.20 0.34 -2.70 6.45 -2.24 -1.26 -4.87 114.28 112.20 1q0k n THR 92 Ca -0.18 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.51 1q0k n THR 92 Cb 0.57 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 1q0k n THR 92 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q0k s ASP 93 N -1.25 6.68 0.65 3.42 -1.08 -1.26 -4.68 116.67 119.15 1q0k s ASP 93 Ca 0.25 0.54 0.24 0.00 -0.52 0.00 0.00 52.55 53.06 1q0k s ASP 93 Cb 0.15 -2.51 1.29 0.00 -1.46 0.00 0.00 42.92 40.39 1q0k s ASP 93 CO 0.22 -1.04 1.73 -0.65 0.52 0.00 0.00 175.17 175.95 1q0k h PRO 94 N 8.78 0.00 -0.29 4.34 0.11 -1.89 0.00 132.00 143.05 1q0k h PRO 94 Ca -0.23 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.80 1q0k h PRO 94 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1q0k h PRO 94 CO 1.05 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.65 1q0k h ALA 95 N 1.08 1.14 -0.28 -0.75 0.00 -1.97 -1.54 119.26 116.93 1q0k h ALA 95 Ca 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1q0k h ALA 95 Cb 1.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1q0k h ALA 95 CO -0.00 0.54 0.11 1.79 0.00 0.00 0.00 179.25 181.69 1q0k h THR 96 N 0.47 1.18 -0.76 0.00 1.35 -1.39 0.19 112.91 113.95 1q0k h THR 96 Ca 0.08 -0.56 0.03 0.00 -0.55 0.00 0.00 66.41 65.40 1q0k h THR 96 Cb 0.60 1.03 -0.05 0.00 -1.73 0.00 0.00 68.15 68.00 1q0k h THR 96 CO 0.04 0.19 0.48 1.23 -0.25 0.00 0.00 175.52 177.22 1q0k h GLY 97 N 0.30 1.10 1.02 5.82 0.00 -1.59 -2.19 103.07 107.54 1q0k h GLY 97 Ca 0.09 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1q0k h GLY 97 CO -0.01 0.31 0.29 -1.61 0.00 0.00 0.00 176.54 175.53 1q0k h GLN 98 N 0.94 1.06 -0.60 4.80 5.75 -0.91 -1.32 115.11 124.83 1q0k h GLN 98 Ca 0.31 -0.19 0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1q0k h GLN 98 Cb 0.01 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.34 1q0k h GLN 98 CO -0.11 0.87 0.32 -0.22 -2.65 0.00 0.00 178.83 177.04 1q0k h LYS 99 N 1.02 0.58 -0.56 1.69 3.64 -0.39 0.19 116.57 122.75 1q0k h LYS 99 Ca 0.24 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1q0k h LYS 99 Cb 0.20 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1q0k h LYS 99 CO -0.02 0.39 0.22 0.00 -2.27 0.00 0.00 179.45 177.77 1q0k h ALA 100 N 1.32 0.72 -0.30 5.00 0.00 -1.06 -1.99 119.26 122.96 1q0k h ALA 100 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1q0k h ALA 100 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1q0k h ALA 100 CO -0.18 0.33 0.12 -0.07 0.00 0.00 0.00 179.25 179.46 1q0k h LEU 101 N 0.76 0.36 -0.27 0.00 3.38 -0.19 -1.64 115.31 117.72 1q0k h LEU 101 Ca 0.19 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1q0k h LEU 101 Cb 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1q0k h LEU 101 CO -0.02 0.33 -0.07 0.44 0.09 0.00 0.00 178.44 179.22 1q0k h ASP 102 N 0.41 0.53 -0.37 -0.43 3.32 0.04 -1.58 116.42 118.33 1q0k h ASP 102 Ca 0.10 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1q0k h ASP 102 Cb 0.08 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1q0k h ASP 102 CO -0.01 0.77 0.20 1.88 -1.72 0.00 0.00 179.24 180.36 1q0k h TYR 103 N 0.28 0.52 -0.61 4.55 0.05 -0.99 -1.89 116.97 118.88 1q0k h TYR 103 Ca 0.07 -0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.91 1q0k h TYR 103 Cb 0.54 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 1q0k h TYR 103 CO 0.05 0.41 0.40 0.82 -1.05 0.00 0.00 178.16 178.80 1q0k h ILE 104 N 0.47 0.97 -0.70 -2.88 2.04 -1.23 -0.42 117.51 115.76 1q0k h ILE 104 Ca 0.13 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1q0k h ILE 104 Cb 0.07 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1q0k h ILE 104 CO -0.02 0.10 0.24 0.00 0.00 0.00 0.00 178.15 178.47 1q0k h ALA 105 N 1.68 1.10 0.07 1.87 0.00 -0.49 0.22 119.26 123.71 1q0k h ALA 105 Ca 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1q0k h ALA 105 Cb 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1q0k h ALA 105 CO -0.08 0.62 -0.04 1.96 0.00 0.00 0.00 179.25 181.72 1q0k h GLN 106 N 1.03 -0.10 -0.96 0.00 4.20 -0.69 -2.80 115.11 115.79 1q0k h GLN 106 Ca 0.23 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.08 1q0k h GLN 106 Cb 0.26 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.97 1q0k h GLN 106 CO -0.01 0.27 0.58 0.82 -0.67 0.00 0.00 178.83 179.82 1q0k h ILE 107 N -0.47 0.85 -0.45 2.54 2.04 -1.06 0.70 117.51 121.65 1q0k h ILE 107 Ca -0.01 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1q0k h ILE 107 Cb 0.41 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1q0k h ILE 107 CO 0.02 0.16 0.24 -0.78 0.00 0.00 0.00 178.15 177.78 1q0k h ASP 108 N 0.87 0.55 -0.27 1.72 3.58 -0.86 0.66 116.42 122.67 1q0k h ASP 108 Ca 0.49 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.76 1q0k h ASP 108 Cb 0.57 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 1q0k h ASP 108 CO -0.30 0.46 -0.38 0.11 -2.88 0.00 0.00 179.24 176.25 1q0k h LYS 109 N 0.63 0.74 -0.28 0.28 1.57 -0.62 -2.15 116.57 116.74 1q0k h LYS 109 Ca 0.16 -0.43 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 1q0k h LYS 109 Cb 0.04 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1q0k h LYS 109 CO -0.02 1.05 -0.30 0.82 -0.57 0.00 0.00 179.45 180.43 1q0k h ILE 110 N 0.48 1.28 0.22 1.86 2.04 -0.91 -2.34 117.51 120.15 1q0k h ILE 110 Ca 0.03 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1q0k h ILE 110 Cb 0.97 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1q0k h ILE 110 CO 0.09 0.45 -0.15 0.15 0.00 0.00 0.00 178.15 178.69 1q0k h PHE 111 N 0.50 -0.39 -0.42 1.37 3.57 -0.76 -0.82 116.94 119.98 1q0k h PHE 111 Ca 0.06 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.68 1q0k h PHE 111 Cb 0.77 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1q0k h PHE 111 CO 0.03 -0.21 0.41 -1.49 -2.23 0.00 0.00 178.31 174.82 1q0k h TRP 112 N -0.35 0.00 -0.07 0.41 4.06 -1.43 0.15 115.95 118.71 1q0k h TRP 112 Ca -0.03 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 1q0k h TRP 112 Cb 0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1q0k h TRP 112 CO 0.02 0.00 -0.00 1.49 -3.56 0.00 0.00 178.44 176.39 1q0k h GLU 113 N 0.00 0.13 0.00 0.49 4.22 -0.97 -1.71 114.58 116.73 1q0k h GLU 113 Ca 0.20 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.56 1q0k h GLU 113 Cb 1.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1q0k h GLU 113 CO -0.00 0.40 -0.19 1.79 -2.18 0.00 0.00 179.01 178.82 1q0k h THR 114 N -0.16 0.93 -0.33 0.32 1.35 0.69 0.47 112.91 116.18 1q0k h THR 114 Ca 0.02 -0.71 -0.13 0.00 -0.55 0.00 0.00 66.41 65.03 1q0k h THR 114 Cb 0.34 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1q0k h THR 114 CO 0.00 0.19 -0.31 0.11 -0.25 0.00 0.00 175.52 175.27 1q0k h LYS 115 N 0.00 0.79 0.00 4.72 1.79 -0.97 -3.21 116.57 119.69 1q0k h LYS 115 Ca -0.00 -0.41 -0.15 0.00 -2.18 0.00 0.00 60.65 57.91 1q0k h LYS 115 Cb 0.39 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1q0k h LYS 115 CO 0.03 1.04 -0.80 0.87 -1.08 0.00 0.00 179.45 179.50 1q0k h LYS 116 N 0.57 0.00 0.00 3.15 1.57 -0.90 -3.51 116.57 117.45 1q0k h LYS 116 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1q0k h LYS 116 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1q0k h LYS 116 CO 0.08 0.58 0.00 0.00 -0.57 0.00 0.00 179.45 179.54