#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 0.20 -4.03 -0.07 0.00 2.03 -1.26 -4.94 116.55 108.48 1q0k n ASP 3 Ca 0.16 0.15 -0.13 0.00 0.52 0.00 0.00 54.79 55.50 1q0k n ASP 3 Cb 0.40 -2.85 -0.06 0.00 -0.72 0.00 0.00 41.12 37.89 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 0.42-10.03 -2.67 5.85 -2.03 -3.46 115.31 103.38 1q0k h LEU 4 Ca -0.25 -0.43 -0.50 0.00 0.84 0.00 0.00 57.88 57.55 1q0k h LEU 4 Cb 0.94 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1q0k h LEU 4 CO 0.33 0.75 0.08 -2.16 -0.34 0.00 0.00 178.44 177.10 1q0k s PRO 5 N -4.52 3.94 0.21 5.25 0.04 -1.26 -5.11 135.00 133.56 1q0k s PRO 5 Ca -0.14 0.59 0.23 0.00 0.04 0.00 0.00 61.00 61.73 1q0k s PRO 5 Cb 0.06 -2.45 0.19 0.00 0.04 0.00 0.00 34.50 32.34 1q0k s PRO 5 CO 0.76 0.14 1.24 0.00 0.04 0.00 0.00 177.00 179.18 1q0k n GLY 7 N 1.22 0.79 3.30 0.00 0.00 -1.26 -4.96 105.19 104.29 1q0k n GLY 7 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.06 3.79 0.11 1.61 1.01 -1.26 -4.94 120.40 117.66 1q0k s VAL 8 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1q0k s VAL 8 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1q0k s VAL 8 CO 0.00 -0.02 -0.10 -0.31 0.00 0.00 0.00 175.10 174.67 1q0k s TYR 9 N 1.44 1.11 -0.30 5.22 1.51 -1.26 -0.70 117.35 124.38 1q0k s TYR 9 Ca 0.01 -0.72 -0.13 0.00 -1.01 0.00 0.00 57.07 55.21 1q0k s TYR 9 Cb -0.18 -0.60 0.18 0.00 -0.11 0.00 0.00 41.96 41.25 1q0k s TYR 9 CO 0.02 0.01 1.02 0.34 -1.11 0.00 0.00 175.55 175.83 1q0k s ASP 10 N -2.77 -0.53 0.00 2.29 -1.08 -1.26 -5.01 116.67 108.32 1q0k s ASP 10 Ca 0.10 0.44 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1q0k s ASP 10 Cb 0.00 1.49 0.00 0.00 -1.46 0.00 0.00 42.92 42.95 1q0k s ASP 10 CO -0.00 -0.10 0.91 -2.65 0.52 0.00 0.00 175.17 173.85 1q0k n PRO 11 N 5.30 0.00 0.25 4.34 -0.02 -1.26 -1.59 135.00 142.01 1q0k n PRO 11 Ca -0.07 0.42 0.08 0.00 -2.02 0.00 0.00 63.50 61.91 1q0k n PRO 11 Cb 0.53 -1.56 0.62 0.00 -0.02 0.00 0.00 33.50 33.07 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 1.73 1.68 -0.26 3.55 0.00 -1.98 -0.78 119.26 123.20 1q0k h ALA 12 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1q0k h ALA 12 Cb 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1q0k h ALA 12 CO 0.00 0.14 0.10 1.96 0.00 0.00 0.00 179.25 181.45 1q0k h GLN 13 N 0.00 0.39 -0.34 0.00 4.20 -1.74 -0.59 115.11 117.04 1q0k h GLN 13 Ca -0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1q0k h GLN 13 Cb 0.21 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1q0k h GLN 13 CO 0.01 0.43 0.07 0.00 -0.67 0.00 0.00 178.83 178.68 1q0k h ALA 14 N 0.94 0.44 -0.53 3.87 0.00 -1.57 -2.98 119.26 119.43 1q0k h ALA 14 Ca 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1q0k h ALA 14 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1q0k h ALA 14 CO -0.01 0.12 0.33 -0.09 0.00 0.00 0.00 179.25 179.60 1q0k h ARG 15 N 0.39 0.64 -0.96 0.00 2.43 -1.01 -1.27 114.38 114.61 1q0k h ARG 15 Ca 0.10 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1q0k h ARG 15 Cb 0.31 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1q0k h ARG 15 CO 0.00 0.43 0.58 0.82 -1.51 0.00 0.00 179.97 180.29 1q0k h ILE 16 N 0.66 1.26 -0.27 1.20 2.04 -1.07 0.11 117.51 121.43 1q0k h ILE 16 Ca 0.21 -0.55 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 1q0k h ILE 16 Cb -0.02 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 35.96 1q0k h ILE 16 CO -0.07 0.27 -0.28 -0.33 0.00 0.00 0.00 178.15 177.73 1q0k h GLU 17 N 1.31 0.67 0.00 2.37 4.39 -1.33 -2.74 114.58 119.26 1q0k h GLU 17 Ca 0.34 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1q0k h GLU 17 Cb -0.07 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1q0k h GLU 17 CO -0.07 0.97 -0.18 0.00 -1.16 0.00 0.00 179.01 178.57 1q0k h ALA 18 N 0.69 1.63 -0.35 3.43 0.00 -0.84 -0.92 119.26 122.90 1q0k h ALA 18 Ca 0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1q0k h ALA 18 Cb 0.85 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1q0k h ALA 18 CO 0.07 0.22 -0.20 0.93 0.00 0.00 0.00 179.25 180.27 1q0k h GLU 19 N 0.00 0.66 -0.39 0.00 5.08 -0.62 -1.84 114.58 117.47 1q0k h GLU 19 Ca -0.00 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 57.98 1q0k h GLU 19 Cb 0.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1q0k h GLU 19 CO 0.02 0.81 -0.31 0.77 -1.00 0.00 0.00 179.01 179.31 1q0k h SER 20 N 0.58 0.89 0.03 1.42 0.02 -0.92 -0.66 113.55 114.92 1q0k h SER 20 Ca 0.09 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1q0k h SER 20 Cb 0.67 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1q0k h SER 20 CO 0.05 1.13 -0.09 0.58 -1.14 0.00 0.00 176.83 177.35 1q0k h VAL 21 N 0.72 0.77 -0.31 2.27 2.07 -0.84 0.20 116.25 121.12 1q0k h VAL 21 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1q0k h VAL 21 Cb 0.87 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1q0k h VAL 21 CO 0.08 0.00 0.10 0.50 0.02 0.00 0.00 177.57 178.27 1q0k h LYS 22 N -0.18 0.48 -0.94 1.57 3.64 -1.27 -1.79 116.57 118.09 1q0k h LYS 22 Ca 0.03 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1q0k h LYS 22 Cb 0.20 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1q0k h LYS 22 CO -0.07 0.51 0.62 0.00 -2.27 0.00 0.00 179.45 178.24 1q0k h ALA 23 N 0.94 1.40 -0.43 5.00 0.00 -0.96 -0.18 119.26 125.03 1q0k h ALA 23 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1q0k h ALA 23 Cb 0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1q0k h ALA 23 CO -0.00 0.51 0.08 0.82 0.00 0.00 0.00 179.25 180.65 1q0k h ILE 24 N 1.18 1.24 -0.92 0.00 2.04 -0.73 -2.01 117.51 118.31 1q0k h ILE 24 Ca 0.37 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1q0k h ILE 24 Cb 0.01 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1q0k h ILE 24 CO -0.11 0.30 0.58 1.56 0.00 0.00 0.00 178.15 180.48 1q0k h GLN 25 N 0.56 1.23 -0.62 2.37 4.20 -0.50 -0.77 115.11 121.57 1q0k h GLN 25 Ca 0.13 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1q0k h GLN 25 Cb 0.37 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1q0k h GLN 25 CO 0.01 0.84 0.28 0.93 -0.67 0.00 0.00 178.83 180.22 1q0k h GLU 26 N 1.26 0.88 -0.13 1.46 4.39 -0.70 -2.68 114.58 119.05 1q0k h GLU 26 Ca 0.33 -0.12 -0.18 0.00 0.34 0.00 0.00 59.36 59.73 1q0k h GLU 26 Cb -0.09 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.39 1q0k h GLU 26 CO -0.07 0.69 -0.65 0.87 -1.16 0.00 0.00 179.01 178.70 1q0k h LYS 27 N 0.88 0.51 -0.07 2.33 1.57 -0.61 -3.12 116.57 118.06 1q0k h LYS 27 Ca 0.21 -0.37 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1q0k h LYS 27 Cb 0.12 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1q0k h LYS 27 CO -0.03 0.99 0.11 0.52 -0.57 0.00 0.00 179.45 180.48 1q0k h MET 28 N 0.37 0.00 0.00 3.15 2.86 -0.82 0.67 114.93 121.16 1q0k h MET 28 Ca -0.02 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 1q0k h MET 28 Cb 1.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 1q0k h MET 28 CO 0.12 0.00 -0.71 0.00 1.06 0.00 0.00 176.91 177.38 1q0k h ALA 29 N 1.84 0.64 0.00 6.32 0.00 -1.53 -3.31 119.26 123.21 1q0k h ALA 29 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1q0k h ALA 29 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1q0k h ALA 29 CO -0.00 0.89 -0.72 0.00 0.00 0.00 0.00 179.25 179.42 1q0k h ALA 30 N 1.29 0.53 -3.37 0.00 0.00 -0.98 -3.44 119.26 113.29 1q0k h ALA 30 Ca -0.01 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1q0k h ALA 30 Cb 1.43 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.82 1q0k h ALA 30 CO 0.09 0.00 -0.77 1.21 0.00 0.00 0.00 179.25 179.78 1q0k s ASN 31 N -4.28 3.25 0.00 0.00 3.84 -1.01 -4.99 114.94 111.74 1q0k s ASN 31 Ca 0.05 -0.97 0.27 0.00 0.21 0.00 0.00 52.86 52.42 1q0k s ASN 31 Cb 0.13 -0.78 1.26 0.00 -0.55 0.00 0.00 41.25 41.31 1q0k s ASN 31 CO 0.74 -0.29 1.85 -0.90 -2.79 0.00 0.00 177.10 175.71 1q0k n ASP 32 N 4.93 0.97 -4.64 -4.21 5.75 -1.26 -4.66 116.55 113.43 1q0k n ASP 32 Ca -0.09 -1.38 -0.48 0.00 -0.01 0.00 0.00 54.79 52.82 1q0k n ASP 32 Cb 0.46 -0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 40.49 1q0k n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1q0k n ASP 33 N -0.22 2.57 -0.02 -1.12 2.03 -1.26 -4.84 116.55 113.68 1q0k n ASP 33 Ca 0.20 1.10 -0.09 0.00 0.52 0.00 0.00 54.79 56.51 1q0k n ASP 33 Cb 0.26 -1.34 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 1q0k n ASP 33 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1q0k h LEU 34 N 5.44 -0.30 -1.35 -2.67 5.85 -1.99 -0.03 115.31 120.25 1q0k h LEU 34 Ca -0.46 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 1q0k h LEU 34 Cb 1.28 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1q0k h LEU 34 CO 0.85 -0.13 -0.14 0.45 -0.34 0.00 0.00 178.44 179.13 1q0k h HIS 35 N -0.09 0.27 -0.36 1.25 3.86 -1.99 -0.09 115.15 118.00 1q0k h HIS 35 Ca 0.09 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.13 1q0k h HIS 35 Cb 0.22 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1q0k h HIS 35 CO -0.23 0.40 -0.30 0.35 0.86 0.00 0.00 177.93 179.01 1q0k h PHE 36 N 0.25 1.00 -0.64 2.45 3.57 -1.83 -1.87 116.94 119.87 1q0k h PHE 36 Ca 0.05 -0.29 -0.03 0.00 3.53 0.00 0.00 57.97 61.24 1q0k h PHE 36 Cb 0.40 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1q0k h PHE 36 CO 0.01 1.08 0.29 1.96 -2.23 0.00 0.00 178.31 179.42 1q0k h GLN 37 N 0.64 0.91 0.07 1.11 1.08 -0.20 -0.05 115.11 118.66 1q0k h GLN 37 Ca 0.06 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1q0k h GLN 37 Cb 0.88 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1q0k h GLN 37 CO 0.08 0.71 -0.03 0.82 -0.95 0.00 0.00 178.83 179.46 1q0k h ILE 38 N 0.90 1.15 -0.66 2.54 2.04 -0.83 -2.22 117.51 120.44 1q0k h ILE 38 Ca 0.22 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1q0k h ILE 38 Cb 0.11 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1q0k h ILE 38 CO -0.03 0.19 0.32 0.03 0.00 0.00 0.00 178.15 178.67 1q0k h ARG 39 N -0.44 0.95 -0.50 2.37 3.08 -1.21 -0.97 114.38 117.66 1q0k h ARG 39 Ca -0.01 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.91 1q0k h ARG 39 Cb 0.39 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1q0k h ARG 39 CO 0.01 0.75 0.32 0.00 -1.07 0.00 0.00 179.97 179.99 1q0k h ALA 40 N 1.15 0.63 -0.14 0.04 0.00 -1.03 0.58 119.26 120.48 1q0k h ALA 40 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1q0k h ALA 40 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1q0k h ALA 40 CO -0.03 0.06 0.07 1.15 0.00 0.00 0.00 179.25 180.49 1q0k h THR 41 N 0.65 1.13 -0.17 0.00 2.02 -1.14 0.12 112.91 115.52 1q0k h THR 41 Ca 0.19 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1q0k h THR 41 Cb -0.06 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1q0k h THR 41 CO -0.05 0.12 -0.02 0.58 0.37 0.00 0.00 175.52 176.52 1q0k h VAL 42 N 0.10 0.86 -0.46 3.16 2.07 -0.88 -0.78 116.25 120.31 1q0k h VAL 42 Ca 0.05 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 1q0k h VAL 42 Cb 0.13 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1q0k h VAL 42 CO -0.01 0.01 -0.22 0.40 0.02 0.00 0.00 177.57 177.77 1q0k h ILE 43 N 0.03 1.27 -0.84 4.57 2.04 -0.78 -2.72 117.51 121.09 1q0k h ILE 43 Ca 0.08 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 1q0k h ILE 43 Cb 0.11 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1q0k h ILE 43 CO -0.15 0.47 0.52 0.50 0.00 0.00 0.00 178.15 179.49 1q0k h LYS 44 N 0.82 1.13 -0.37 2.37 3.64 -0.51 -1.50 116.57 122.14 1q0k h LYS 44 Ca 0.11 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1q0k h LYS 44 Cb 0.79 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1q0k h LYS 44 CO 0.07 0.78 0.19 1.49 -2.27 0.00 0.00 179.45 179.71 1q0k h GLU 45 N 1.15 0.38 -0.40 1.90 4.57 -0.85 -1.78 114.58 119.56 1q0k h GLU 45 Ca 0.30 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.38 1q0k h GLU 45 Cb -0.07 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1q0k h GLU 45 CO -0.06 0.25 -0.06 1.96 -1.18 0.00 0.00 179.01 179.92 1q0k h GLN 46 N 0.40 0.76 -0.58 1.92 4.20 -1.15 -2.05 115.11 118.60 1q0k h GLN 46 Ca 0.15 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1q0k h GLN 46 Cb 0.05 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1q0k h GLN 46 CO -0.10 0.87 0.04 0.00 -0.67 0.00 0.00 178.83 178.97 1q0k h ARG 47 N 0.57 1.01 -0.70 1.46 2.47 -1.14 -1.49 114.38 116.56 1q0k h ARG 47 Ca 0.11 -0.30 -0.05 0.00 -1.26 0.00 0.00 59.98 58.48 1q0k h ARG 47 Cb 0.57 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 1q0k h ARG 47 CO 0.03 0.98 0.25 0.00 0.56 0.00 0.00 179.97 181.79 1q0k h ALA 48 N 0.99 0.92 -0.71 0.04 0.00 -1.32 -0.49 119.26 118.69 1q0k h ALA 48 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1q0k h ALA 48 Cb 0.50 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1q0k h ALA 48 CO 0.02 0.57 0.45 1.49 0.00 0.00 0.00 179.25 181.78 1q0k h GLU 49 N 1.02 0.94 -0.58 0.00 4.57 -1.09 0.31 114.58 119.75 1q0k h GLU 49 Ca 0.23 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 1q0k h GLU 49 Cb 0.26 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1q0k h GLU 49 CO -0.01 0.65 0.18 -0.07 -1.18 0.00 0.00 179.01 178.57 1q0k h LEU 50 N 0.96 0.85 -0.82 1.64 3.38 -0.85 -1.28 115.31 119.19 1q0k h LEU 50 Ca 0.26 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1q0k h LEU 50 Cb -0.07 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1q0k h LEU 50 CO -0.05 0.83 0.50 0.00 0.09 0.00 0.00 178.44 179.82 1q0k h ALA 51 N 1.05 1.04 -0.30 1.53 0.00 -0.39 -0.19 119.26 122.00 1q0k h ALA 51 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1q0k h ALA 51 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1q0k h ALA 51 CO -0.00 0.49 0.16 0.87 0.00 0.00 0.00 179.25 180.77 1q0k h LYS 52 N 1.12 0.43 -0.30 0.00 1.57 -0.63 -2.00 116.57 116.76 1q0k h LYS 52 Ca 0.29 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 1q0k h LYS 52 Cb -0.06 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1q0k h LYS 52 CO -0.06 0.38 0.06 1.25 -0.57 0.00 0.00 179.45 180.51 1q0k h HIS 53 N 0.37 0.10 -0.84 -1.35 2.76 -0.76 0.92 115.15 116.35 1q0k h HIS 53 Ca 0.11 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1q0k h HIS 53 Cb 0.08 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.99 1q0k h HIS 53 CO -0.03 0.02 0.56 0.45 -1.30 0.00 0.00 177.93 177.63 1q0k h HIS 54 N 0.17 1.03 -0.21 5.26 3.86 -0.77 -1.14 115.15 123.35 1q0k h HIS 54 Ca 0.14 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.21 1q0k h HIS 54 Cb 0.15 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 1q0k h HIS 54 CO -0.17 0.62 -0.56 -0.07 0.86 0.00 0.00 177.93 178.62 1q0k h LEU 55 N 1.09 0.71 -1.10 2.43 3.38 -0.79 -2.53 115.31 118.51 1q0k h LEU 55 Ca 0.32 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1q0k h LEU 55 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1q0k h LEU 55 CO -0.08 1.12 0.29 0.44 0.09 0.00 0.00 178.44 180.29 1q0k h ASP 56 N 0.49 0.84 -0.27 -0.43 3.32 -0.05 -1.58 116.42 118.74 1q0k h ASP 56 Ca 0.01 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 1q0k h ASP 56 Cb 1.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1q0k h ASP 56 CO 0.11 0.73 -0.29 0.58 -1.72 0.00 0.00 179.24 178.65 1q0k h VAL 57 N 0.92 1.28 -0.53 -1.35 2.07 -1.13 0.11 116.25 117.61 1q0k h VAL 57 Ca 0.22 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1q0k h VAL 57 Cb 0.13 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1q0k h VAL 57 CO -0.03 0.47 0.17 -0.07 0.02 0.00 0.00 177.57 178.14 1q0k h LEU 58 N 0.66 0.77 -0.21 2.57 3.38 -1.01 0.14 115.31 121.62 1q0k h LEU 58 Ca 0.08 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1q0k h LEU 58 Cb 0.81 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1q0k h LEU 58 CO 0.07 0.77 -0.08 -0.25 0.09 0.00 0.00 178.44 179.04 1q0k h TRP 59 N 0.73 0.49 0.17 1.13 7.01 -1.10 0.56 115.95 124.94 1q0k h TRP 59 Ca 0.17 -0.11 -0.31 0.00 2.11 0.00 0.00 58.89 60.75 1q0k h TRP 59 Cb 0.27 -0.11 0.01 0.00 -2.10 0.00 0.00 29.16 27.23 1q0k h TRP 59 CO 0.02 0.69 -1.45 0.66 -2.79 0.00 0.00 178.44 175.57 1q0k h SER 60 N 0.14 0.57 0.00 2.65 4.64 -0.76 -3.39 113.55 117.40 1q0k h SER 60 Ca 0.05 -0.67 -0.42 0.00 -0.47 0.00 0.00 61.79 60.28 1q0k h SER 60 Cb 0.56 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 1q0k h SER 60 CO 0.03 1.54 -2.35 0.47 -0.87 0.00 0.00 176.83 175.65 1q0k n ASP 61 N -3.57 1.95 0.07 4.97 9.92 0.48 -4.82 116.55 125.55 1q0k n ASP 61 Ca -0.15 0.35 -0.05 0.00 -0.53 0.00 0.00 54.79 54.40 1q0k n ASP 61 Cb 1.06 -0.82 -0.03 0.00 -0.64 0.00 0.00 41.12 40.69 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 -1.00 -0.27 -2.95 1.24 3.20 -1.28 -3.45 116.97 112.46 1q0k h TYR 62 Ca -0.63 -0.01 -0.53 0.00 3.14 0.00 0.00 58.73 60.71 1q0k h TYR 62 Cb 1.55 0.09 0.04 0.00 1.54 0.00 0.00 36.73 39.95 1q0k h TYR 62 CO -0.11 -0.12 0.85 -0.06 -1.64 0.00 0.00 178.16 177.08 1q0k s PHE 63 N -2.58 3.06 0.35 -3.82 0.08 0.14 -5.02 117.98 110.20 1q0k s PHE 63 Ca -0.05 0.73 0.09 0.00 0.12 0.00 0.00 56.93 57.81 1q0k s PHE 63 Cb 0.00 -3.89 -0.05 0.00 -0.57 0.00 0.00 43.02 38.51 1q0k s PHE 63 CO 0.17 -3.21 0.05 0.15 -0.10 0.00 0.00 175.22 172.29 1q0k s LYS 64 N 0.82 2.13 0.33 0.44 -0.14 -1.26 -4.77 119.74 117.28 1q0k s LYS 64 Ca 0.67 -1.76 0.11 0.00 -1.36 0.00 0.00 55.97 53.64 1q0k s LYS 64 Cb -0.43 -1.95 0.99 0.00 -1.68 0.00 0.00 37.83 34.76 1q0k s LYS 64 CO 0.34 0.08 1.66 -1.35 -0.76 0.00 0.00 175.35 175.32 1q0k h PRO 65 N 1.72 0.29 -0.13 -1.68 0.11 -1.99 0.31 132.00 130.63 1q0k h PRO 65 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1q0k h PRO 65 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1q0k h PRO 65 CO 0.68 0.19 -0.04 -1.35 -0.21 0.00 0.00 178.00 177.27 1q0k h PRO 66 N 0.30 0.19 -0.05 1.05 0.11 -1.99 -0.85 132.00 130.76 1q0k h PRO 66 Ca 0.69 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.75 1q0k h PRO 66 Cb 1.52 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.59 1q0k h PRO 66 CO -0.62 0.24 -0.04 0.45 -0.21 0.00 0.00 178.00 177.83 1q0k h HIS 67 N 0.19 0.14 0.00 0.65 3.86 -0.79 -0.42 115.15 118.78 1q0k h HIS 67 Ca 0.04 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1q0k h HIS 67 Cb 0.19 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1q0k h HIS 67 CO 0.00 0.54 -0.02 0.74 0.86 0.00 0.00 177.93 180.06 1q0k h PHE 68 N -0.30 0.00 0.07 2.45 0.04 -1.06 0.15 116.94 118.29 1q0k h PHE 68 Ca 0.01 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 1q0k h PHE 68 Cb 0.51 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.67 1q0k h PHE 68 CO 0.08 0.02 -0.51 1.49 -0.60 0.00 0.00 178.31 178.79 1q0k h GLU 69 N 0.00 0.23 -0.05 1.51 4.57 -0.88 -3.19 114.58 116.77 1q0k h GLU 69 Ca -0.00 -0.33 -0.11 0.00 -1.18 0.00 0.00 59.36 57.74 1q0k h GLU 69 Cb 0.23 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1q0k h GLU 69 CO 0.00 1.11 -0.46 0.77 -1.18 0.00 0.00 179.01 179.26 1q0k h SER 70 N -0.50 0.12 -3.18 1.04 0.02 -0.42 -3.35 113.55 107.28 1q0k h SER 70 Ca -0.08 -0.05 -0.62 0.00 -0.84 0.00 0.00 61.79 60.20 1q0k h SER 70 Cb 1.35 -0.03 -0.41 0.00 0.14 0.00 0.00 62.40 63.44 1q0k h SER 70 CO 0.10 0.56 -0.63 -0.31 -1.14 0.00 0.00 176.83 175.41 1q0k s TYR 71 N -4.02 3.20 0.63 3.45 2.02 0.48 -4.95 117.35 118.17 1q0k s TYR 71 Ca -0.03 -3.18 0.36 0.00 -0.37 0.00 0.00 57.07 53.85 1q0k s TYR 71 Cb 0.13 -2.49 1.97 0.00 -0.40 0.00 0.00 41.96 41.18 1q0k s TYR 71 CO 0.76 -0.61 2.11 -1.35 -1.57 0.00 0.00 175.55 174.89 1q0k h PRO 72 N 5.59 0.00 0.00 -1.71 0.11 -1.70 -0.70 132.00 133.59 1q0k h PRO 72 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1q0k h PRO 72 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1q0k h PRO 72 CO 0.67 0.00 -0.53 -0.85 -0.21 0.00 0.00 178.00 177.07 1q0k n GLU 73 N -2.94 0.08 -0.05 1.05 0.00 -1.26 -4.49 120.64 113.03 1q0k n GLU 73 Ca -0.02 0.02 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1q0k n GLU 73 Cb 0.23 -1.55 -0.02 0.00 0.00 0.00 0.00 31.44 30.10 1q0k n GLU 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1q0k h LEU 74 N 0.00 -0.87 -0.37 -1.84 5.85 -1.45 -0.12 115.31 116.51 1q0k h LEU 74 Ca 0.00 0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1q0k h LEU 74 Cb 0.57 0.40 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1q0k h LEU 74 CO 0.00 -0.30 -0.14 0.45 -0.34 0.00 0.00 178.44 178.11 1q0k h HIS 75 N -0.28 -0.33 -0.74 1.25 3.86 -1.80 -0.31 115.15 116.80 1q0k h HIS 75 Ca 0.13 0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1q0k h HIS 75 Cb 0.49 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 1q0k h HIS 75 CO -0.42 -0.22 0.28 1.15 0.86 0.00 0.00 177.93 179.59 1q0k h THR 76 N -0.07 1.26 0.30 2.45 2.02 -1.77 -0.95 112.91 116.14 1q0k h THR 76 Ca 0.18 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1q0k h THR 76 Cb 0.35 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1q0k h THR 76 CO -0.42 0.33 -0.16 0.25 0.37 0.00 0.00 175.52 175.90 1q0k h LEU 77 N 1.08 -0.38 -0.47 2.58 5.85 -0.16 0.13 115.31 123.94 1q0k h LEU 77 Ca 0.25 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1q0k h LEU 77 Cb 0.24 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1q0k h LEU 77 CO -0.02 -0.26 0.20 0.58 -0.34 0.00 0.00 178.44 178.60 1q0k h VAL 78 N -0.42 1.20 -0.73 1.05 2.07 -1.00 0.23 116.25 118.65 1q0k h VAL 78 Ca -0.04 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1q0k h VAL 78 Cb 0.33 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1q0k h VAL 78 CO 0.05 0.23 0.45 -1.13 0.02 0.00 0.00 177.57 177.20 1q0k h ASN 79 N 0.62 0.74 0.06 0.57 -0.73 -0.99 -0.89 115.58 114.96 1q0k h ASN 79 Ca 0.16 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.24 1q0k h ASN 79 Cb 0.17 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 1q0k h ASN 79 CO -0.02 0.50 -0.30 -0.33 -0.37 0.00 0.00 177.43 176.91 1q0k h GLU 80 N 0.87 0.37 -0.47 6.67 5.08 -0.42 -2.03 114.58 124.64 1q0k h GLU 80 Ca 0.30 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1q0k h GLU 80 Cb 0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1q0k h GLU 80 CO -0.12 0.64 0.03 0.00 -1.00 0.00 0.00 179.01 178.55 1q0k h ALA 81 N 1.36 0.63 -0.15 3.43 0.00 0.28 0.03 119.26 124.83 1q0k h ALA 81 Ca 0.04 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1q0k h ALA 81 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1q0k h ALA 81 CO 0.05 0.41 -0.47 -0.39 0.00 0.00 0.00 179.25 178.85 1q0k h VAL 82 N 0.67 1.32 -0.16 0.00 -1.51 -1.08 -1.88 116.25 113.61 1q0k h VAL 82 Ca 0.14 -1.68 -0.10 0.00 -1.23 0.00 0.00 66.70 63.83 1q0k h VAL 82 Cb 0.47 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 1q0k h VAL 82 CO 0.02 0.51 -0.34 0.11 -1.23 0.00 0.00 177.57 176.64 1q0k h LYS 83 N 0.31 0.34 -0.36 5.19 1.57 -1.23 -0.85 116.57 121.55 1q0k h LYS 83 Ca 0.02 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1q0k h LYS 83 Cb 0.95 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1q0k h LYS 83 CO 0.08 0.65 -0.11 0.00 -0.57 0.00 0.00 179.45 179.49 1q0k h ALA 84 N 1.35 1.14 -0.30 3.86 0.00 -0.60 0.31 119.26 125.03 1q0k h ALA 84 Ca 0.03 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 1q0k h ALA 84 Cb 0.75 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1q0k h ALA 84 CO 0.06 0.54 -0.53 -0.07 0.00 0.00 0.00 179.25 179.25 1q0k h LEU 85 N 0.57 0.96 -0.75 0.00 3.38 -0.82 -1.25 115.31 117.39 1q0k h LEU 85 Ca 0.10 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1q0k h LEU 85 Cb 0.53 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1q0k h LEU 85 CO 0.03 1.30 0.49 0.28 0.09 0.00 0.00 178.44 180.64 1q0k h SER 86 N 0.67 0.87 -0.37 -0.43 0.02 -0.73 -1.42 113.55 112.15 1q0k h SER 86 Ca 0.02 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1q0k h SER 86 Cb 1.13 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1q0k h SER 86 CO 0.12 0.63 0.10 0.00 -1.14 0.00 0.00 176.83 176.54 1q0k h ALA 87 N 1.27 1.35 -0.03 3.77 0.00 -0.70 -2.28 119.26 122.63 1q0k h ALA 87 Ca 0.27 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1q0k h ALA 87 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1q0k h ALA 87 CO -0.06 0.46 -0.47 0.00 0.00 0.00 0.00 179.25 179.18 1q0k h ALA 88 N 1.47 1.15 -0.73 0.00 0.00 -0.40 -2.74 119.26 118.01 1q0k h ALA 88 Ca 0.15 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1q0k h ALA 88 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1q0k h ALA 88 CO -0.00 0.61 0.41 0.87 0.00 0.00 0.00 179.25 181.13 1q0k h LYS 89 N 0.07 1.01 -0.02 0.00 1.57 -0.71 -2.62 116.57 115.88 1q0k h LYS 89 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1q0k h LYS 89 Cb 0.86 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1q0k h LYS 89 CO 0.07 0.75 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 1q0k n ALA 90 N -2.35 2.57 -2.65 3.86 0.00 -1.05 -4.87 120.51 116.02 1q0k n ALA 90 Ca 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1q0k n ALA 90 Cb 0.09 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.43 0.56 0.00 0.00 0.15 -0.99 -5.01 113.70 106.99 1q0k s SER 91 Ca 0.22 -0.69 0.19 0.00 0.70 0.00 0.00 55.95 56.37 1q0k s SER 91 Cb 0.10 0.11 0.09 0.00 -1.71 0.00 0.00 66.02 64.61 1q0k s SER 91 CO 0.17 -0.36 1.04 0.35 1.20 0.00 0.00 173.24 175.63 1q0k n THR 92 N 1.02 0.00 -2.46 6.45 -2.24 -1.26 -4.88 114.28 110.91 1q0k n THR 92 Ca -0.20 -0.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1q0k n THR 92 Cb 0.57 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 70.10 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 -1.81 6.98 0.64 3.42 -1.08 -1.26 -4.71 116.67 118.85 1q0k s ASP 93 Ca 0.19 1.66 0.37 0.00 -0.52 0.00 0.00 52.55 54.26 1q0k s ASP 93 Cb 0.16 -2.54 2.07 0.00 -1.46 0.00 0.00 42.92 41.14 1q0k s ASP 93 CO 0.33 -0.73 2.23 -0.65 0.52 0.00 0.00 175.17 176.87 1q0k h PRO 94 N 8.01 0.00 -0.38 4.34 0.11 -1.90 -1.29 132.00 140.88 1q0k h PRO 94 Ca -0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1q0k h PRO 94 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1q0k h PRO 94 CO 0.96 0.00 0.14 0.00 -0.21 0.00 0.00 178.00 178.89 1q0k h ALA 95 N 1.83 1.54 -0.37 -0.75 0.00 -1.97 0.03 119.26 119.57 1q0k h ALA 95 Ca 0.02 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1q0k h ALA 95 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1q0k h ALA 95 CO -0.00 0.36 -0.39 1.79 0.00 0.00 0.00 179.25 181.01 1q0k h THR 96 N 0.54 1.27 -0.60 0.00 1.35 -1.62 -1.15 112.91 112.70 1q0k h THR 96 Ca 0.13 -1.57 -0.08 0.00 -0.55 0.00 0.00 66.41 64.35 1q0k h THR 96 Cb 0.13 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 1q0k h THR 96 CO -0.01 0.52 0.07 1.23 -0.25 0.00 0.00 175.52 177.08 1q0k h GLY 97 N 0.81 1.07 0.98 5.82 0.00 -1.50 -2.85 103.07 107.40 1q0k h GLY 97 Ca 0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1q0k h GLY 97 CO 0.09 0.66 0.28 -1.61 0.00 0.00 0.00 176.54 175.96 1q0k h GLN 98 N 0.92 0.76 -0.79 4.80 5.75 -0.74 -2.19 115.11 123.62 1q0k h GLN 98 Ca 0.18 -0.10 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1q0k h GLN 98 Cb 0.44 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 1q0k h GLN 98 CO 0.02 0.61 0.51 -0.22 -2.65 0.00 0.00 178.83 177.09 1q0k h LYS 99 N 0.73 0.95 -0.37 1.69 3.64 -1.01 -0.07 116.57 122.13 1q0k h LYS 99 Ca 0.19 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1q0k h LYS 99 Cb 0.07 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1q0k h LYS 99 CO -0.03 0.63 0.16 0.00 -2.27 0.00 0.00 179.45 177.94 1q0k h ALA 100 N 1.34 0.48 -0.73 5.00 0.00 -1.29 -2.23 119.26 121.82 1q0k h ALA 100 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1q0k h ALA 100 Cb 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1q0k h ALA 100 CO -0.12 0.07 0.46 -0.07 0.00 0.00 0.00 179.25 179.59 1q0k h LEU 101 N 0.46 0.85 -0.48 0.00 3.38 -0.71 -0.97 115.31 117.84 1q0k h LEU 101 Ca 0.13 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1q0k h LEU 101 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1q0k h LEU 101 CO -0.01 0.63 -0.26 0.44 0.09 0.00 0.00 178.44 179.33 1q0k h ASP 102 N 1.00 1.00 -0.54 -0.43 3.32 -0.77 -1.36 116.42 118.63 1q0k h ASP 102 Ca 0.27 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1q0k h ASP 102 Cb -0.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 1q0k h ASP 102 CO -0.05 1.20 -0.10 1.88 -1.72 0.00 0.00 179.24 180.45 1q0k h TYR 103 N 0.82 1.15 -0.79 4.55 0.05 -0.92 -2.44 116.97 119.39 1q0k h TYR 103 Ca 0.10 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.61 1q0k h TYR 103 Cb 0.84 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 1q0k h TYR 103 CO 0.05 1.06 0.38 0.82 -1.05 0.00 0.00 178.16 179.42 1q0k h ILE 104 N 0.92 1.25 -0.58 -2.88 2.04 -1.05 -0.94 117.51 116.26 1q0k h ILE 104 Ca 0.15 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1q0k h ILE 104 Cb 0.66 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1q0k h ILE 104 CO 0.05 0.30 0.27 0.00 0.00 0.00 0.00 178.15 178.76 1q0k h ALA 105 N 1.29 1.38 -0.25 1.87 0.00 -0.98 0.20 119.26 122.76 1q0k h ALA 105 Ca 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1q0k h ALA 105 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1q0k h ALA 105 CO -0.03 0.48 -0.02 1.96 0.00 0.00 0.00 179.25 181.63 1q0k h GLN 106 N 0.82 0.46 -0.79 0.00 4.20 -0.87 -2.20 115.11 116.73 1q0k h GLN 106 Ca 0.20 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1q0k h GLN 106 Cb 0.10 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1q0k h GLN 106 CO -0.03 0.65 0.37 0.82 -0.67 0.00 0.00 178.83 179.98 1q0k h ILE 107 N 0.23 1.25 -0.87 2.54 2.04 -0.63 -2.44 117.51 119.62 1q0k h ILE 107 Ca 0.07 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1q0k h ILE 107 Cb 0.46 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1q0k h ILE 107 CO 0.02 0.31 0.58 -0.78 0.00 0.00 0.00 178.15 178.27 1q0k h ASP 108 N 1.13 1.00 -0.30 1.72 3.58 -0.47 0.10 116.42 123.19 1q0k h ASP 108 Ca 0.27 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 1q0k h ASP 108 Cb 0.14 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1q0k h ASP 108 CO -0.03 0.72 0.01 0.50 -2.88 0.00 0.00 179.24 177.56 1q0k h LYS 109 N 1.18 0.52 -0.62 0.28 3.64 -0.95 -1.99 116.57 118.63 1q0k h LYS 109 Ca 0.32 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1q0k h LYS 109 Cb -0.13 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1q0k h LYS 109 CO -0.07 0.65 0.15 0.82 -2.27 0.00 0.00 179.45 178.73 1q0k h ILE 110 N 0.31 1.24 -0.29 2.00 2.04 -1.06 -2.45 117.51 119.31 1q0k h ILE 110 Ca 0.09 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.09 1q0k h ILE 110 Cb 0.41 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1q0k h ILE 110 CO 0.01 0.34 0.09 0.15 0.00 0.00 0.00 178.15 178.74 1q0k h PHE 111 N 0.93 0.16 0.00 1.37 3.57 -0.53 -1.47 116.94 120.97 1q0k h PHE 111 Ca 0.20 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1q0k h PHE 111 Cb 0.33 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1q0k h PHE 111 CO 0.02 0.06 -0.26 -1.49 -2.23 0.00 0.00 178.31 174.42 1q0k h TRP 112 N 0.21 0.00 -0.21 0.41 4.06 -1.19 -2.07 115.95 117.15 1q0k h TRP 112 Ca 0.13 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.92 1q0k h TRP 112 Cb 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1q0k h TRP 112 CO -0.14 0.26 -0.52 0.93 -3.56 0.00 0.00 178.44 175.40 1q0k h GLU 113 N 0.00 0.61 0.00 0.49 5.08 -0.87 -1.48 114.58 118.41 1q0k h GLU 113 Ca -0.00 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1q0k h GLU 113 Cb 0.60 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1q0k h GLU 113 CO 0.03 0.98 -0.27 1.79 -1.00 0.00 0.00 179.01 180.54 1q0k h THR 114 N 0.47 0.62 0.03 1.13 1.35 -0.89 -2.70 112.91 112.91 1q0k h THR 114 Ca 0.02 -1.31 -0.25 0.00 -0.55 0.00 0.00 66.41 64.31 1q0k h THR 114 Cb 1.07 1.88 0.01 0.00 -1.73 0.00 0.00 68.15 69.38 1q0k h THR 114 CO 0.10 0.27 -1.03 0.11 -0.25 0.00 0.00 175.52 174.72 1q0k h LYS 115 N 0.00 0.48 -0.04 4.72 1.79 -1.06 -3.20 116.57 119.26 1q0k h LYS 115 Ca -0.00 -0.55 -0.09 0.00 -2.18 0.00 0.00 60.65 57.82 1q0k h LYS 115 Cb 0.86 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 1q0k h LYS 115 CO 0.04 1.19 -0.41 1.57 -1.08 0.00 0.00 179.45 180.75 1q0k h LYS 116 N 0.25 0.09 0.00 3.15 2.10 -1.12 -3.51 116.57 117.53 1q0k h LYS 116 Ca -0.11 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1q0k h LYS 116 Cb 1.68 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.01 1q0k h LYS 116 CO 0.18 0.49 0.00 0.00 -2.00 0.00 0.00 179.45 178.12