#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 -1.55 -3.19 -0.06 0.00 2.03 -1.26 -4.95 116.55 107.56 1q0k n ASP 3 Ca 0.06 0.07 -0.13 0.00 0.52 0.00 0.00 54.79 55.30 1q0k n ASP 3 Cb 0.35 -2.06 -0.07 0.00 -0.72 0.00 0.00 41.12 38.62 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 0.42-10.36 -2.67 5.85 -2.03 -3.47 115.31 103.05 1q0k h LEU 4 Ca -0.17 -0.47 -0.49 0.00 0.84 0.00 0.00 57.88 57.59 1q0k h LEU 4 Cb 0.88 -0.12 0.05 0.00 0.37 0.00 0.00 40.66 41.84 1q0k h LEU 4 CO 0.21 0.81 0.22 -2.16 -0.34 0.00 0.00 178.44 177.18 1q0k s PRO 5 N -4.33 3.32 -0.01 5.25 0.04 -1.26 -5.13 135.00 132.88 1q0k s PRO 5 Ca -0.14 0.28 0.17 0.00 0.04 0.00 0.00 61.00 61.35 1q0k s PRO 5 Cb 0.06 -2.26 -0.21 0.00 0.04 0.00 0.00 34.50 32.13 1q0k s PRO 5 CO 0.76 -0.49 0.59 0.00 0.04 0.00 0.00 177.00 177.90 1q0k n GLY 7 N 1.44 0.54 3.17 0.00 0.00 -1.26 -4.98 105.19 104.10 1q0k n GLY 7 Ca 0.01 -0.39 -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 -1.96 2.82 0.04 1.61 1.01 -1.26 -4.98 120.40 117.68 1q0k s VAL 8 Ca 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1q0k s VAL 8 Cb 0.00 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1q0k s VAL 8 CO 0.00 0.06 -0.06 -0.31 0.00 0.00 0.00 175.10 174.79 1q0k s TYR 9 N 1.27 0.56 -0.30 5.22 2.02 -1.26 -0.76 117.35 124.10 1q0k s TYR 9 Ca -0.03 -0.55 -0.13 0.00 -0.37 0.00 0.00 57.07 55.99 1q0k s TYR 9 Cb -0.18 -0.35 0.15 0.00 -0.40 0.00 0.00 41.96 41.18 1q0k s TYR 9 CO -0.03 -0.13 0.84 0.34 -1.57 0.00 0.00 175.55 175.00 1q0k s ASP 10 N -1.67 -0.82 0.01 2.29 -1.08 -1.26 -5.00 116.67 109.14 1q0k s ASP 10 Ca -0.10 1.14 0.02 0.00 -0.52 0.00 0.00 52.55 53.09 1q0k s ASP 10 Cb -0.09 1.90 0.11 0.00 -1.46 0.00 0.00 42.92 43.38 1q0k s ASP 10 CO -0.01 -0.16 1.07 -2.65 0.52 0.00 0.00 175.17 173.94 1q0k n PRO 11 N 5.10 0.01 -0.28 4.34 -0.02 -1.26 -1.97 135.00 140.93 1q0k n PRO 11 Ca -0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1q0k n PRO 11 Cb 0.51 -1.52 0.20 0.00 -0.02 0.00 0.00 33.50 32.68 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 2.05 1.41 -0.47 3.55 0.00 -1.99 -1.17 119.26 122.64 1q0k h ALA 12 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1q0k h ALA 12 Cb 0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.41 1q0k h ALA 12 CO 0.00 0.54 0.09 1.96 0.00 0.00 0.00 179.25 181.84 1q0k h GLN 13 N 1.13 0.22 -0.35 0.00 4.20 -1.83 -0.94 115.11 117.54 1q0k h GLN 13 Ca 0.32 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.84 1q0k h GLN 13 Cb -0.10 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 1q0k h GLN 13 CO -0.07 0.15 -0.44 0.00 -0.67 0.00 0.00 178.83 177.79 1q0k h ALA 14 N 1.36 0.54 -0.47 3.87 0.00 -1.61 -3.19 119.26 119.76 1q0k h ALA 14 Ca 0.23 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1q0k h ALA 14 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1q0k h ALA 14 CO -0.31 0.68 0.20 -0.09 0.00 0.00 0.00 179.25 179.73 1q0k h ARG 15 N 0.74 0.69 -0.80 0.00 2.43 -0.69 -0.83 114.38 115.92 1q0k h ARG 15 Ca 0.04 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1q0k h ARG 15 Cb 1.05 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 1q0k h ARG 15 CO 0.11 0.62 0.40 0.82 -1.51 0.00 0.00 179.97 180.40 1q0k h ILE 16 N 0.62 1.24 -0.45 1.20 2.04 -1.25 0.12 117.51 121.02 1q0k h ILE 16 Ca 0.16 -0.66 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 1q0k h ILE 16 Cb 0.17 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1q0k h ILE 16 CO -0.02 0.29 -0.24 -0.33 0.00 0.00 0.00 178.15 177.85 1q0k h GLU 17 N 1.13 0.94 0.00 2.37 4.39 -1.49 -2.49 114.58 119.43 1q0k h GLU 17 Ca 0.28 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 1q0k h GLU 17 Cb 0.08 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1q0k h GLU 17 CO -0.04 1.07 -0.26 0.00 -1.16 0.00 0.00 179.01 178.63 1q0k h ALA 18 N 0.91 1.05 -0.30 3.43 0.00 -0.60 -2.81 119.26 120.94 1q0k h ALA 18 Ca 0.10 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1q0k h ALA 18 Cb 0.81 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1q0k h ALA 18 CO 0.07 0.32 -0.46 0.93 0.00 0.00 0.00 179.25 180.11 1q0k h GLU 19 N 0.00 0.85 -0.91 0.00 5.08 -0.41 -2.85 114.58 116.34 1q0k h GLU 19 Ca -0.00 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1q0k h GLU 19 Cb 0.74 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 1q0k h GLU 19 CO 0.03 1.14 0.51 0.77 -1.00 0.00 0.00 179.01 180.47 1q0k h SER 20 N 0.62 1.12 -0.19 1.42 0.02 -1.23 -1.11 113.55 114.21 1q0k h SER 20 Ca 0.03 -0.09 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1q0k h SER 20 Cb 1.06 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 1q0k h SER 20 CO 0.11 0.89 -0.11 0.58 -1.14 0.00 0.00 176.83 177.15 1q0k h VAL 21 N 1.27 0.67 -0.48 2.27 2.07 -1.32 0.23 116.25 120.95 1q0k h VAL 21 Ca 0.32 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.72 1q0k h VAL 21 Cb 0.00 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1q0k h VAL 21 CO -0.05 0.00 -0.17 0.50 0.02 0.00 0.00 177.57 177.87 1q0k h LYS 22 N -0.10 0.96 -0.77 1.57 3.64 -1.27 -1.57 116.57 119.03 1q0k h LYS 22 Ca 0.11 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1q0k h LYS 22 Cb 0.26 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1q0k h LYS 22 CO -0.25 1.06 0.50 0.00 -2.27 0.00 0.00 179.45 178.49 1q0k h ALA 23 N 0.87 1.00 -0.39 5.00 0.00 -0.73 -0.62 119.26 124.39 1q0k h ALA 23 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1q0k h ALA 23 Cb 0.74 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1q0k h ALA 23 CO 0.06 0.33 0.00 0.82 0.00 0.00 0.00 179.25 180.46 1q0k h ILE 24 N 0.99 1.26 -0.80 0.00 2.04 -0.41 -1.09 117.51 119.50 1q0k h ILE 24 Ca 0.30 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1q0k h ILE 24 Cb -0.03 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1q0k h ILE 24 CO -0.09 0.34 0.53 1.56 0.00 0.00 0.00 178.15 180.48 1q0k h GLN 25 N 0.51 0.96 -0.29 2.37 4.20 -0.79 0.74 115.11 122.82 1q0k h GLN 25 Ca 0.11 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1q0k h GLN 25 Cb 0.47 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1q0k h GLN 25 CO 0.02 0.64 -0.04 0.93 -0.67 0.00 0.00 178.83 179.71 1q0k h GLU 26 N 0.99 0.54 0.00 1.46 5.08 -0.77 -2.80 114.58 119.08 1q0k h GLU 26 Ca 0.32 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1q0k h GLU 26 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1q0k h GLU 26 CO -0.09 0.72 -0.19 0.87 -1.00 0.00 0.00 179.01 179.32 1q0k h LYS 27 N 0.31 0.00 -0.07 2.33 1.57 -0.40 -2.57 116.57 117.73 1q0k h LYS 27 Ca 0.08 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1q0k h LYS 27 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1q0k h LYS 27 CO 0.02 0.19 -0.39 0.52 -0.57 0.00 0.00 179.45 179.22 1q0k h MET 28 N 0.00 0.15 0.00 3.15 2.86 -0.62 -2.43 114.93 118.05 1q0k h MET 28 Ca -0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1q0k h MET 28 Cb 0.39 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1q0k h MET 28 CO 0.02 0.53 0.00 0.00 1.06 0.00 0.00 176.91 178.52 1q0k h ALA 29 N 1.47 1.00 -0.01 6.32 0.00 -1.33 -3.14 119.26 123.57 1q0k h ALA 29 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1q0k h ALA 29 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1q0k h ALA 29 CO 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 179.25 179.04 1q0k n ALA 30 N -2.08 3.11 -3.55 0.00 0.00 -0.93 -4.82 120.51 112.25 1q0k n ALA 30 Ca 0.02 -0.50 -0.17 0.00 0.00 0.00 0.00 53.44 52.79 1q0k n ALA 30 Cb 0.40 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 1q0k n ALA 30 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q0k s ASN 31 N -2.40 1.08 0.00 0.00 3.84 -1.14 -5.02 114.94 111.31 1q0k s ASN 31 Ca 0.25 0.01 0.28 0.00 0.21 0.00 0.00 52.86 53.61 1q0k s ASN 31 Cb 0.19 0.44 1.11 0.00 -0.55 0.00 0.00 41.25 42.44 1q0k s ASN 31 CO 0.50 -0.30 1.78 -0.90 -2.79 0.00 0.00 177.10 175.38 1q0k n ASP 32 N 5.33 1.40 -4.70 -4.21 5.68 -1.26 -4.72 116.55 114.07 1q0k n ASP 32 Ca -0.05 -1.47 -0.44 0.00 -0.50 0.00 0.00 54.79 52.33 1q0k n ASP 32 Cb 0.50 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.45 1q0k n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1q0k n ASP 33 N 0.09 3.29 0.07 -1.12 2.03 -1.26 -4.87 116.55 114.79 1q0k n ASP 33 Ca 0.19 1.12 -0.12 0.00 0.52 0.00 0.00 54.79 56.50 1q0k n ASP 33 Cb 0.34 -1.49 -0.05 0.00 -0.72 0.00 0.00 41.12 39.19 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 5.07 -0.98 -1.33 -2.67 5.85 -1.99 -1.12 115.31 118.14 1q0k h LEU 34 Ca -0.45 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1q0k h LEU 34 Cb 1.25 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 1q0k h LEU 34 CO 0.82 -0.40 0.27 0.45 -0.34 0.00 0.00 178.44 179.24 1q0k h HIS 35 N -0.50 0.71 -0.46 1.25 3.86 -1.99 -0.50 115.15 117.51 1q0k h HIS 35 Ca 0.05 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1q0k h HIS 35 Cb 0.57 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 1q0k h HIS 35 CO -0.34 0.51 -0.03 0.35 0.86 0.00 0.00 177.93 179.28 1q0k h PHE 36 N 0.73 0.92 -0.69 2.45 3.57 -1.86 -1.55 116.94 120.51 1q0k h PHE 36 Ca 0.19 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1q0k h PHE 36 Cb 0.05 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1q0k h PHE 36 CO 0.01 0.89 0.29 1.96 -2.23 0.00 0.00 178.31 179.22 1q0k h GLN 37 N 0.68 1.02 0.12 1.11 1.08 -0.52 0.76 115.11 119.36 1q0k h GLN 37 Ca 0.13 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1q0k h GLN 37 Cb 0.54 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1q0k h GLN 37 CO 0.03 0.84 -0.06 0.82 -0.95 0.00 0.00 178.83 179.51 1q0k h ILE 38 N 0.98 0.94 -0.68 2.54 2.04 -0.97 -1.22 117.51 121.13 1q0k h ILE 38 Ca 0.23 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1q0k h ILE 38 Cb 0.19 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1q0k h ILE 38 CO -0.02 0.05 0.39 0.03 0.00 0.00 0.00 178.15 178.60 1q0k h ARG 39 N -0.25 0.93 -0.65 2.37 3.08 -1.09 -1.13 114.38 117.65 1q0k h ARG 39 Ca -0.02 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1q0k h ARG 39 Cb 0.20 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1q0k h ARG 39 CO 0.03 0.68 0.25 0.00 -1.07 0.00 0.00 179.97 179.86 1q0k h ALA 40 N 1.20 0.85 -0.50 0.04 0.00 -0.76 -0.44 119.26 119.65 1q0k h ALA 40 Ca 0.24 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1q0k h ALA 40 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1q0k h ALA 40 CO -0.04 0.47 0.12 1.15 0.00 0.00 0.00 179.25 180.95 1q0k h THR 41 N 0.92 1.24 -0.21 0.00 2.02 -0.90 0.11 112.91 116.11 1q0k h THR 41 Ca 0.22 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1q0k h THR 41 Cb 0.22 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1q0k h THR 41 CO -0.02 0.31 0.11 0.58 0.37 0.00 0.00 175.52 176.87 1q0k h VAL 42 N 0.69 1.11 -0.08 3.16 2.07 -0.96 -1.41 116.25 120.82 1q0k h VAL 42 Ca 0.16 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 1q0k h VAL 42 Cb 0.34 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1q0k h VAL 42 CO 0.00 0.11 -0.65 0.40 0.02 0.00 0.00 177.57 177.45 1q0k h ILE 43 N 0.23 1.39 -0.53 4.57 2.04 -0.98 -2.85 117.51 121.37 1q0k h ILE 43 Ca 0.07 -2.05 -0.10 0.00 1.00 0.00 0.00 64.86 63.78 1q0k h ILE 43 Cb 0.07 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1q0k h ILE 43 CO -0.01 0.61 -0.06 0.50 0.00 0.00 0.00 178.15 179.19 1q0k h LYS 44 N 0.23 0.94 -0.58 2.37 3.64 -0.65 -1.64 116.57 120.87 1q0k h LYS 44 Ca -0.01 -0.31 0.04 0.00 -1.27 0.00 0.00 60.65 59.09 1q0k h LYS 44 Cb 1.19 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1q0k h LYS 44 CO 0.11 0.97 0.34 1.49 -2.27 0.00 0.00 179.45 180.08 1q0k h GLU 45 N 0.85 0.63 -0.19 1.90 4.57 -1.13 -1.27 114.58 119.94 1q0k h GLU 45 Ca 0.15 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1q0k h GLU 45 Cb 0.58 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1q0k h GLU 45 CO 0.04 0.42 -0.05 1.96 -1.18 0.00 0.00 179.01 180.20 1q0k h GLN 46 N 0.65 0.37 -0.71 1.92 4.20 -1.28 -2.30 115.11 117.96 1q0k h GLN 46 Ca 0.25 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1q0k h GLN 46 Cb 0.08 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1q0k h GLN 46 CO -0.13 0.63 0.32 0.00 -0.67 0.00 0.00 178.83 178.98 1q0k h ARG 47 N 0.09 1.02 -0.29 1.46 2.47 -1.04 -1.72 114.38 116.37 1q0k h ARG 47 Ca 0.05 -0.15 -0.14 0.00 -1.26 0.00 0.00 59.98 58.48 1q0k h ARG 47 Cb 0.49 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1q0k h ARG 47 CO 0.02 0.80 -0.39 0.00 0.56 0.00 0.00 179.97 180.96 1q0k h ALA 48 N 1.34 0.76 -0.36 0.04 0.00 -1.24 -1.76 119.26 118.03 1q0k h ALA 48 Ca 0.24 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1q0k h ALA 48 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1q0k h ALA 48 CO -0.03 0.66 -0.04 1.49 0.00 0.00 0.00 179.25 181.33 1q0k h GLU 49 N 0.57 0.58 -0.22 0.00 4.57 -1.02 -0.43 114.58 118.64 1q0k h GLU 49 Ca 0.05 -0.15 -0.20 0.00 -1.18 0.00 0.00 59.36 57.88 1q0k h GLU 49 Cb 0.93 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1q0k h GLU 49 CO 0.08 0.64 -0.65 -0.07 -1.18 0.00 0.00 179.01 177.83 1q0k h LEU 50 N 0.55 0.91 -0.53 1.64 3.38 -1.12 -1.30 115.31 118.84 1q0k h LEU 50 Ca 0.11 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1q0k h LEU 50 Cb 0.42 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1q0k h LEU 50 CO 0.02 1.33 0.24 0.00 0.09 0.00 0.00 178.44 180.12 1q0k h ALA 51 N 0.68 0.69 -0.78 1.53 0.00 -0.94 -0.64 119.26 119.80 1q0k h ALA 51 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1q0k h ALA 51 Cb 1.26 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1q0k h ALA 51 CO 0.14 0.27 0.50 0.87 0.00 0.00 0.00 179.25 181.02 1q0k h LYS 52 N 0.72 1.03 -0.52 0.00 1.57 -1.00 -1.95 116.57 116.42 1q0k h LYS 52 Ca 0.18 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1q0k h LYS 52 Cb 0.14 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1q0k h LYS 52 CO -0.02 0.70 0.32 1.25 -0.57 0.00 0.00 179.45 181.13 1q0k h HIS 53 N 1.05 0.60 -0.69 -1.35 2.76 -0.66 -0.47 115.15 116.40 1q0k h HIS 53 Ca 0.28 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.40 1q0k h HIS 53 Cb -0.09 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.64 1q0k h HIS 53 CO -0.01 0.36 0.17 0.45 -1.30 0.00 0.00 177.93 177.59 1q0k h HIS 54 N 0.64 1.13 -0.41 5.26 3.86 -0.70 -1.46 115.15 123.47 1q0k h HIS 54 Ca 0.20 -0.13 -0.15 0.00 -1.16 0.00 0.00 60.37 59.13 1q0k h HIS 54 Cb -0.01 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1q0k h HIS 54 CO -0.06 0.92 -0.34 -0.07 0.86 0.00 0.00 177.93 179.24 1q0k h LEU 55 N 1.03 1.00 -0.71 2.43 3.38 -1.06 -2.29 115.31 119.09 1q0k h LEU 55 Ca 0.22 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1q0k h LEU 55 Cb 0.35 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1q0k h LEU 55 CO 0.00 1.24 0.45 0.44 0.09 0.00 0.00 178.44 180.65 1q0k h ASP 56 N 0.79 0.73 -0.84 -0.43 3.32 -0.82 0.00 116.42 119.17 1q0k h ASP 56 Ca 0.07 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1q0k h ASP 56 Cb 0.93 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 1q0k h ASP 56 CO 0.09 0.51 0.47 0.58 -1.72 0.00 0.00 179.24 179.16 1q0k h VAL 57 N 0.87 1.25 -0.24 -1.35 2.07 -1.10 0.63 116.25 118.38 1q0k h VAL 57 Ca 0.29 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1q0k h VAL 57 Cb 0.02 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1q0k h VAL 57 CO -0.11 0.27 0.03 -0.07 0.02 0.00 0.00 177.57 177.72 1q0k h LEU 58 N 1.17 0.38 -0.58 2.57 3.38 -0.80 0.18 115.31 121.60 1q0k h LEU 58 Ca 0.30 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1q0k h LEU 58 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1q0k h LEU 58 CO -0.05 0.55 0.38 -0.25 0.09 0.00 0.00 178.44 179.15 1q0k h TRP 59 N 0.19 0.71 0.03 1.13 7.01 -0.63 -0.78 115.95 123.61 1q0k h TRP 59 Ca 0.07 0.02 -0.31 0.00 2.11 0.00 0.00 58.89 60.78 1q0k h TRP 59 Cb 0.33 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 1q0k h TRP 59 CO 0.02 0.43 -1.82 -1.13 -2.79 0.00 0.00 178.44 173.16 1q0k n SER 60 N -4.70 1.10 -0.11 2.65 3.41 0.18 -4.41 113.62 111.74 1q0k n SER 60 Ca 0.04 0.34 -0.18 0.00 -0.26 0.00 0.00 58.87 58.82 1q0k n SER 60 Cb 0.04 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 1q0k n SER 60 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1q0k n ASP 61 N -3.12 2.14 -0.05 4.04 9.92 0.61 -4.82 116.55 125.28 1q0k n ASP 61 Ca -0.21 -0.03 -0.01 0.00 -0.53 0.00 0.00 54.79 54.01 1q0k n ASP 61 Cb 1.06 -0.43 -0.01 0.00 -0.64 0.00 0.00 41.12 41.10 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 -0.19 -0.01 -3.07 1.24 3.20 -1.21 -3.46 116.97 113.48 1q0k h TYR 62 Ca -0.52 -0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.83 1q0k h TYR 62 Cb 1.71 0.00 0.05 0.00 1.54 0.00 0.00 36.73 40.04 1q0k h TYR 62 CO 0.00 0.04 0.83 -0.06 -1.64 0.00 0.00 178.16 177.33 1q0k s PHE 63 N -1.61 3.04 0.35 -3.82 0.08 -0.40 -5.02 117.98 110.60 1q0k s PHE 63 Ca -0.01 0.80 0.08 0.00 0.12 0.00 0.00 56.93 57.91 1q0k s PHE 63 Cb -0.00 -3.88 -0.03 0.00 -0.57 0.00 0.00 43.02 38.54 1q0k s PHE 63 CO 0.04 -3.10 0.29 0.15 -0.10 0.00 0.00 175.22 172.50 1q0k s LYS 64 N 0.49 2.67 0.33 0.44 -0.14 -1.26 -4.77 119.74 117.50 1q0k s LYS 64 Ca 0.65 -1.35 0.11 0.00 -1.36 0.00 0.00 55.97 54.03 1q0k s LYS 64 Cb -0.43 -2.44 0.97 0.00 -1.68 0.00 0.00 37.83 34.25 1q0k s LYS 64 CO 0.37 0.05 1.68 -1.35 -0.76 0.00 0.00 175.35 175.34 1q0k h PRO 65 N 1.24 0.39 -0.84 -1.68 0.11 -1.98 -0.67 132.00 128.56 1q0k h PRO 65 Ca -0.44 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1q0k h PRO 65 Cb 1.26 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1q0k h PRO 65 CO 0.59 0.26 0.55 -1.35 -0.21 0.00 0.00 178.00 177.83 1q0k h PRO 66 N 0.40 0.99 -0.76 1.05 0.11 -1.99 -2.48 132.00 129.31 1q0k h PRO 66 Ca 0.68 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.72 1q0k h PRO 66 Cb 1.46 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1q0k h PRO 66 CO -0.57 0.65 0.42 0.45 -0.21 0.00 0.00 178.00 178.75 1q0k h HIS 67 N 1.02 1.05 0.00 0.65 3.86 -1.51 0.39 115.15 120.61 1q0k h HIS 67 Ca 0.34 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.50 1q0k h HIS 67 Cb 0.08 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.21 1q0k h HIS 67 CO -0.00 0.74 -0.15 0.74 0.86 0.00 0.00 177.93 180.12 1q0k h PHE 68 N 1.06 0.00 0.12 2.45 0.04 -1.44 0.19 116.94 119.36 1q0k h PHE 68 Ca 0.27 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.73 1q0k h PHE 68 Cb 0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1q0k h PHE 68 CO 0.00 0.15 -1.57 0.93 -0.60 0.00 0.00 178.31 177.22 1q0k h GLU 69 N 0.00 0.26 -0.04 1.51 4.39 -0.91 -3.20 114.58 116.59 1q0k h GLU 69 Ca -0.00 -0.45 -0.15 0.00 0.34 0.00 0.00 59.36 59.10 1q0k h GLU 69 Cb 0.53 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1q0k h GLU 69 CO 0.02 1.13 -0.65 0.77 -1.16 0.00 0.00 179.01 179.12 1q0k h SER 70 N 0.07 0.19 -3.35 1.42 0.02 0.16 -3.36 113.55 108.70 1q0k h SER 70 Ca -0.26 -0.12 -0.62 0.00 -0.84 0.00 0.00 61.79 59.96 1q0k h SER 70 Cb 2.03 -0.06 -0.41 0.00 0.14 0.00 0.00 62.40 64.10 1q0k h SER 70 CO 0.16 0.78 -0.69 -0.31 -1.14 0.00 0.00 176.83 175.64 1q0k s TYR 71 N -3.63 2.70 0.61 3.45 2.02 0.64 -4.97 117.35 118.17 1q0k s TYR 71 Ca -0.03 -2.91 0.28 0.00 -0.37 0.00 0.00 57.07 54.04 1q0k s TYR 71 Cb 0.12 -2.24 1.45 0.00 -0.40 0.00 0.00 41.96 40.88 1q0k s TYR 71 CO 0.79 -0.69 1.85 -1.35 -1.57 0.00 0.00 175.55 174.58 1q0k h PRO 72 N 6.01 0.00 -0.00 -1.71 0.11 -1.71 -0.20 132.00 134.51 1q0k h PRO 72 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1q0k h PRO 72 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1q0k h PRO 72 CO 0.60 0.00 -0.40 -0.85 -0.21 0.00 0.00 178.00 177.13 1q0k n GLU 73 N -3.42 0.11 -0.02 1.05 0.00 -1.26 -4.47 120.64 112.62 1q0k n GLU 73 Ca 0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 57.16 57.08 1q0k n GLU 73 Cb 0.63 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.55 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 0.14 -0.55 -0.15 -1.84 5.85 -1.34 0.40 115.31 117.83 1q0k h LEU 74 Ca 0.00 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1q0k h LEU 74 Cb 0.50 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 1q0k h LEU 74 CO 0.00 -0.22 -0.15 0.45 -0.34 0.00 0.00 178.44 178.18 1q0k h HIS 75 N -0.19 -0.39 -0.84 1.25 3.86 -1.80 -0.85 115.15 116.19 1q0k h HIS 75 Ca 0.11 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1q0k h HIS 75 Cb 0.36 0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 1q0k h HIS 75 CO -0.31 -0.22 0.51 1.15 0.86 0.00 0.00 177.93 179.91 1q0k h THR 76 N -0.18 1.23 0.04 2.45 2.02 -1.79 -1.74 112.91 114.94 1q0k h THR 76 Ca 0.10 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1q0k h THR 76 Cb 0.33 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1q0k h THR 76 CO -0.25 0.25 -0.02 0.25 0.37 0.00 0.00 175.52 176.11 1q0k h LEU 77 N 1.16 -0.05 -0.43 2.58 5.85 -0.20 -0.03 115.31 124.20 1q0k h LEU 77 Ca 0.30 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1q0k h LEU 77 Cb -0.05 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1q0k h LEU 77 CO -0.06 0.10 0.17 0.58 -0.34 0.00 0.00 178.44 178.89 1q0k h VAL 78 N -0.20 1.20 -0.94 1.05 2.07 -1.06 -1.18 116.25 117.19 1q0k h VAL 78 Ca -0.01 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1q0k h VAL 78 Cb 0.18 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1q0k h VAL 78 CO 0.01 0.23 0.61 -1.13 0.02 0.00 0.00 177.57 177.31 1q0k h ASN 79 N 0.55 1.02 -0.04 0.57 -0.73 -1.22 -1.09 115.58 114.63 1q0k h ASN 79 Ca 0.14 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.20 1q0k h ASN 79 Cb 0.20 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 1q0k h ASN 79 CO -0.01 0.70 -0.28 -0.33 -0.37 0.00 0.00 177.43 177.14 1q0k h GLU 80 N 1.19 0.49 -0.18 6.67 5.08 -0.71 -2.07 114.58 125.05 1q0k h GLU 80 Ca 0.37 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1q0k h GLU 80 Cb -0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1q0k h GLU 80 CO -0.12 0.73 0.02 0.00 -1.00 0.00 0.00 179.01 178.63 1q0k h ALA 81 N 1.27 0.23 -0.34 3.43 0.00 -0.10 -0.08 119.26 123.68 1q0k h ALA 81 Ca 0.06 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1q0k h ALA 81 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1q0k h ALA 81 CO 0.05 -0.08 -0.24 -0.39 0.00 0.00 0.00 179.25 178.60 1q0k h VAL 82 N 0.07 1.27 -0.04 0.00 -1.51 -1.20 -1.84 116.25 113.00 1q0k h VAL 82 Ca 0.05 -1.33 -0.10 0.00 -1.23 0.00 0.00 66.70 64.10 1q0k h VAL 82 Cb 0.34 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 1q0k h VAL 82 CO 0.01 0.43 -0.42 0.11 -1.23 0.00 0.00 177.57 176.47 1q0k h LYS 83 N 0.58 0.09 -0.08 5.19 1.57 -1.27 -1.49 116.57 121.17 1q0k h LYS 83 Ca 0.08 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1q0k h LYS 83 Cb 0.72 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1q0k h LYS 83 CO 0.06 0.50 -0.43 0.00 -0.57 0.00 0.00 179.45 179.00 1q0k h ALA 84 N 1.50 1.14 -0.09 3.86 0.00 -0.54 -1.59 119.26 123.54 1q0k h ALA 84 Ca 0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1q0k h ALA 84 Cb 0.77 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1q0k h ALA 84 CO 0.06 0.59 -0.66 -0.07 0.00 0.00 0.00 179.25 179.16 1q0k h LEU 85 N 0.15 0.43 -1.15 0.00 3.38 -0.64 -1.73 115.31 115.74 1q0k h LEU 85 Ca 0.01 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 1q0k h LEU 85 Cb 0.82 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1q0k h LEU 85 CO 0.06 0.98 -0.27 0.28 0.09 0.00 0.00 178.44 179.58 1q0k h SER 86 N 0.27 0.25 0.80 -0.43 0.02 -0.82 -1.58 113.55 112.06 1q0k h SER 86 Ca -0.02 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1q0k h SER 86 Cb 1.21 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1q0k h SER 86 CO 0.11 0.52 -0.58 0.00 -1.14 0.00 0.00 176.83 175.75 1q0k h ALA 87 N 1.50 0.89 -0.05 3.77 0.00 -1.01 -2.95 119.26 121.41 1q0k h ALA 87 Ca 0.04 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1q0k h ALA 87 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1q0k h ALA 87 CO 0.04 0.72 -0.76 0.00 0.00 0.00 0.00 179.25 179.25 1q0k h ALA 88 N 1.42 0.59 -0.11 0.00 0.00 -0.57 -2.96 119.26 117.63 1q0k h ALA 88 Ca -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.29 1q0k h ALA 88 Cb 1.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1q0k h ALA 88 CO 0.07 0.80 -0.01 0.87 0.00 0.00 0.00 179.25 180.98 1q0k h LYS 89 N 0.22 0.02 0.00 0.00 1.57 -1.15 -2.45 116.57 114.78 1q0k h LYS 89 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1q0k h LYS 89 Cb 1.35 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1q0k h LYS 89 CO 0.13 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 1q0k n ALA 90 N -2.24 2.51 -2.47 3.86 0.00 -1.14 -4.86 120.51 116.18 1q0k n ALA 90 Ca -0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1q0k n ALA 90 Cb 0.08 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.07 1.15 0.00 0.00 0.15 -0.92 -5.02 113.70 107.99 1q0k s SER 91 Ca 0.03 -0.81 0.13 0.00 0.70 0.00 0.00 55.95 55.99 1q0k s SER 91 Cb 0.01 0.05 0.10 0.00 -1.71 0.00 0.00 66.02 64.47 1q0k s SER 91 CO 0.02 -0.33 0.89 0.35 1.20 0.00 0.00 173.24 175.38 1q0k n THR 92 N 0.58 0.00 -2.51 6.45 -2.24 -1.26 -4.87 114.28 110.42 1q0k n THR 92 Ca -0.16 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 1q0k n THR 92 Cb 0.58 1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 70.05 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 -1.06 6.78 0.64 3.42 -1.08 -1.26 -4.68 116.67 119.43 1q0k s ASP 93 Ca 0.15 1.13 0.29 0.00 -0.52 0.00 0.00 52.55 53.59 1q0k s ASP 93 Cb 0.10 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.57 1q0k s ASP 93 CO 0.16 -1.00 1.90 -0.65 0.52 0.00 0.00 175.17 176.09 1q0k h PRO 94 N 8.81 0.00 -0.58 4.34 0.11 -1.89 -1.11 132.00 141.68 1q0k h PRO 94 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 1q0k h PRO 94 Cb 1.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1q0k h PRO 94 CO 1.04 0.00 0.28 0.00 -0.21 0.00 0.00 178.00 179.11 1q0k h ALA 95 N 1.35 0.75 -0.80 -0.75 0.00 -1.97 -0.92 119.26 116.91 1q0k h ALA 95 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1q0k h ALA 95 Cb 0.83 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1q0k h ALA 95 CO -0.00 0.31 0.50 1.79 0.00 0.00 0.00 179.25 181.85 1q0k h THR 96 N 0.79 1.22 -0.63 0.00 1.35 -1.58 0.13 112.91 114.19 1q0k h THR 96 Ca 0.20 -0.45 -0.05 0.00 -0.55 0.00 0.00 66.41 65.56 1q0k h THR 96 Cb 0.12 0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 66.58 1q0k h THR 96 CO -0.03 0.22 0.21 1.23 -0.25 0.00 0.00 175.52 176.91 1q0k h GLY 97 N 1.11 1.04 0.89 5.82 0.00 -1.47 -2.54 103.07 107.91 1q0k h GLY 97 Ca 0.29 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1q0k h GLY 97 CO -0.06 0.56 0.06 -1.61 0.00 0.00 0.00 176.54 175.50 1q0k h GLN 98 N 0.89 0.48 -0.67 4.80 5.75 -0.13 -2.41 115.11 123.83 1q0k h GLN 98 Ca 0.20 -0.12 0.09 0.00 -0.15 0.00 0.00 58.65 58.67 1q0k h GLN 98 Cb 0.27 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.69 1q0k h GLN 98 CO -0.01 0.57 0.31 -0.22 -2.65 0.00 0.00 178.83 176.84 1q0k h LYS 99 N 0.32 0.53 -0.77 1.69 3.64 -0.64 0.14 116.57 121.48 1q0k h LYS 99 Ca 0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1q0k h LYS 99 Cb 0.31 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1q0k h LYS 99 CO 0.00 0.35 0.38 0.00 -2.27 0.00 0.00 179.45 177.91 1q0k h ALA 100 N 1.41 1.22 -0.48 5.00 0.00 -1.34 -2.46 119.26 122.61 1q0k h ALA 100 Ca 0.33 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1q0k h ALA 100 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1q0k h ALA 100 CO -0.27 0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 179.50 1q0k h LEU 101 N 1.08 0.78 -0.60 0.00 3.38 -0.37 -2.15 115.31 117.44 1q0k h LEU 101 Ca 0.27 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1q0k h LEU 101 Cb 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1q0k h LEU 101 CO -0.04 0.86 0.11 0.44 0.09 0.00 0.00 178.44 179.90 1q0k h ASP 102 N 0.75 0.94 -0.86 -0.43 3.32 -0.42 -1.79 116.42 117.92 1q0k h ASP 102 Ca 0.14 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1q0k h ASP 102 Cb 0.48 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1q0k h ASP 102 CO 0.02 0.95 0.51 1.88 -1.72 0.00 0.00 179.24 180.89 1q0k h TYR 103 N 0.88 1.15 -0.32 4.55 0.05 -1.20 -1.89 116.97 120.19 1q0k h TYR 103 Ca 0.18 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.92 1q0k h TYR 103 Cb 0.40 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1q0k h TYR 103 CO 0.03 0.77 0.03 0.82 -1.05 0.00 0.00 178.16 178.76 1q0k h ILE 104 N 1.19 1.17 0.02 -2.88 2.04 -0.99 -1.55 117.51 116.52 1q0k h ILE 104 Ca 0.31 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1q0k h ILE 104 Cb -0.04 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1q0k h ILE 104 CO -0.06 0.23 -0.01 0.00 0.00 0.00 0.00 178.15 178.31 1q0k h ALA 105 N 1.58 -0.02 -0.83 1.87 0.00 -0.54 0.29 119.26 121.60 1q0k h ALA 105 Ca 0.10 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1q0k h ALA 105 Cb 0.26 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1q0k h ALA 105 CO 0.00 -0.42 0.50 1.96 0.00 0.00 0.00 179.25 181.29 1q0k h GLN 106 N -0.20 0.85 -0.35 0.00 4.20 -1.06 -0.02 115.11 118.54 1q0k h GLN 106 Ca -0.00 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1q0k h GLN 106 Cb 0.19 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1q0k h GLN 106 CO 0.00 0.56 -0.25 0.82 -0.67 0.00 0.00 178.83 179.30 1q0k h ILE 107 N 0.88 1.27 -0.18 2.54 2.04 -0.98 -2.62 117.51 120.46 1q0k h ILE 107 Ca 0.38 -1.35 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 1q0k h ILE 107 Cb 0.25 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1q0k h ILE 107 CO -0.20 0.44 -0.24 -0.78 0.00 0.00 0.00 178.15 177.37 1q0k h ASP 108 N 0.61 0.32 0.08 1.72 3.58 0.92 -0.50 116.42 123.15 1q0k h ASP 108 Ca 0.08 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1q0k h ASP 108 Cb 0.74 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1q0k h ASP 108 CO 0.06 0.57 -0.04 0.50 -2.88 0.00 0.00 179.24 177.45 1q0k h LYS 109 N 0.30 -0.11 -0.86 0.28 3.64 -0.83 -2.32 116.57 116.67 1q0k h LYS 109 Ca 0.05 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1q0k h LYS 109 Cb 0.58 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1q0k h LYS 109 CO 0.04 0.27 0.56 0.82 -2.27 0.00 0.00 179.45 178.87 1q0k h ILE 110 N -0.50 1.15 -0.34 2.00 2.04 -1.35 -1.48 117.51 119.03 1q0k h ILE 110 Ca -0.01 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1q0k h ILE 110 Cb 0.42 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1q0k h ILE 110 CO 0.02 0.20 0.15 0.15 0.00 0.00 0.00 178.15 178.67 1q0k h PHE 111 N 1.08 0.28 -0.20 1.37 3.57 -0.95 -1.39 116.94 120.70 1q0k h PHE 111 Ca 0.34 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 1q0k h PHE 111 Cb 0.01 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1q0k h PHE 111 CO -0.00 0.14 -0.41 -1.49 -2.23 0.00 0.00 178.31 174.32 1q0k h TRP 112 N 0.32 0.54 -0.71 0.41 4.06 -0.84 -2.00 115.95 117.73 1q0k h TRP 112 Ca 0.15 -0.15 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1q0k h TRP 112 Cb 0.08 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.09 1q0k h TRP 112 CO -0.11 0.80 0.36 0.93 -3.56 0.00 0.00 178.44 176.85 1q0k h GLU 113 N 0.38 1.02 0.00 0.49 5.08 -0.88 0.76 114.58 121.42 1q0k h GLU 113 Ca 0.03 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1q0k h GLU 113 Cb 0.88 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1q0k h GLU 113 CO 0.07 0.78 -0.22 1.79 -1.00 0.00 0.00 179.01 180.44 1q0k h THR 114 N 0.99 0.61 0.16 1.13 1.35 -1.06 -1.84 112.91 114.25 1q0k h THR 114 Ca 0.25 -1.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 1q0k h THR 114 Cb 0.09 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1q0k h THR 114 CO -0.03 0.21 -0.07 0.11 -0.25 0.00 0.00 175.52 175.48 1q0k h LYS 115 N 0.00 -0.20 -0.75 4.72 1.79 -0.47 -3.32 116.57 118.34 1q0k h LYS 115 Ca -0.00 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 1q0k h LYS 115 Cb 0.65 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.30 1q0k h LYS 115 CO 0.03 0.03 0.49 1.57 -1.08 0.00 0.00 179.45 180.49 1q0k h LYS 116 N -1.02 0.76 0.00 3.15 2.10 -0.92 -3.51 116.57 117.13 1q0k h LYS 116 Ca -0.02 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1q0k h LYS 116 Cb 0.32 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1q0k h LYS 116 CO 0.04 0.50 0.00 0.00 -2.00 0.00 0.00 179.45 177.99