#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 -0.74 -3.75 -0.11 0.00 -0.08 -1.26 -4.94 116.55 105.67 1q0k n ASP 3 Ca 0.09 0.14 -0.11 0.00 -1.51 0.00 0.00 54.79 53.40 1q0k n ASP 3 Cb 0.38 -1.75 -0.03 0.00 2.34 0.00 0.00 41.12 42.06 1q0k n ASP 3 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1q0k h LEU 4 N 0.00 0.56-10.17 -2.67 5.85 -2.03 -3.46 115.31 103.39 1q0k h LEU 4 Ca -0.12 -0.31 -0.50 0.00 0.84 0.00 0.00 57.88 57.80 1q0k h LEU 4 Cb 0.39 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.28 1q0k h LEU 4 CO 0.17 0.73 0.07 -2.16 -0.34 0.00 0.00 178.44 176.91 1q0k s PRO 5 N -5.00 3.71 0.10 5.25 0.04 -1.26 -5.12 135.00 132.72 1q0k s PRO 5 Ca -0.13 0.34 0.23 0.00 0.04 0.00 0.00 61.00 61.47 1q0k s PRO 5 Cb 0.09 -2.43 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1q0k s PRO 5 CO 0.77 -0.02 0.91 0.00 0.04 0.00 0.00 177.00 178.70 1q0k n GLY 7 N 1.26 0.82 3.46 0.00 0.00 -1.26 -4.98 105.19 104.49 1q0k n GLY 7 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.18 4.54 0.02 1.61 1.01 -1.26 -4.95 120.40 118.19 1q0k s VAL 8 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1q0k s VAL 8 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1q0k s VAL 8 CO 0.00 0.21 -0.03 -0.31 0.00 0.00 0.00 175.10 174.96 1q0k s TYR 9 N 1.63 0.28 -0.30 5.22 2.02 -1.26 -0.40 117.35 124.53 1q0k s TYR 9 Ca 0.06 -0.51 -0.08 0.00 -0.37 0.00 0.00 57.07 56.16 1q0k s TYR 9 Cb -0.16 -0.20 0.18 0.00 -0.40 0.00 0.00 41.96 41.38 1q0k s TYR 9 CO 0.06 -0.18 0.83 0.34 -1.57 0.00 0.00 175.55 175.03 1q0k s ASP 10 N -1.41 -0.91 0.09 2.29 -1.08 -1.26 -4.99 116.67 109.40 1q0k s ASP 10 Ca -0.15 0.72 0.05 0.00 -0.52 0.00 0.00 52.55 52.65 1q0k s ASP 10 Cb -0.10 1.82 0.27 0.00 -1.46 0.00 0.00 42.92 43.45 1q0k s ASP 10 CO -0.01 -0.17 1.07 -2.65 0.52 0.00 0.00 175.17 173.93 1q0k n PRO 11 N 5.38 0.03 -0.18 4.34 -0.02 -1.26 -1.40 135.00 141.88 1q0k n PRO 11 Ca -0.05 0.46 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 1q0k n PRO 11 Cb 0.52 -1.71 0.31 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.62 1.59 -0.40 3.55 0.00 -1.98 0.36 119.26 124.00 1q0k h ALA 12 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1q0k h ALA 12 Cb 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1q0k h ALA 12 CO 0.00 0.34 0.21 1.96 0.00 0.00 0.00 179.25 181.75 1q0k h GLN 13 N 0.86 0.41 -0.46 0.00 4.20 -1.67 0.12 115.11 118.57 1q0k h GLN 13 Ca 0.28 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 1q0k h GLN 13 Cb 0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1q0k h GLN 13 CO -0.08 0.27 0.06 0.00 -0.67 0.00 0.00 178.83 178.41 1q0k h ALA 14 N 1.20 0.61 -0.37 3.87 0.00 -1.53 -3.07 119.26 119.97 1q0k h ALA 14 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1q0k h ALA 14 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1q0k h ALA 14 CO -0.11 0.35 0.19 -0.09 0.00 0.00 0.00 179.25 179.59 1q0k h ARG 15 N 0.63 0.52 -0.97 0.00 2.43 -0.36 -1.76 114.38 114.88 1q0k h ARG 15 Ca 0.14 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1q0k h ARG 15 Cb 0.40 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 1q0k h ARG 15 CO 0.01 0.45 0.63 0.82 -1.51 0.00 0.00 179.97 180.37 1q0k h ILE 16 N 0.46 1.14 -0.27 1.20 2.04 -0.77 -0.13 117.51 121.19 1q0k h ILE 16 Ca 0.13 -0.41 -0.15 0.00 1.00 0.00 0.00 64.86 65.43 1q0k h ILE 16 Cb 0.09 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 1q0k h ILE 16 CO -0.02 0.22 -0.44 -0.33 0.00 0.00 0.00 178.15 177.58 1q0k h GLU 17 N 1.20 0.68 -0.01 2.37 4.39 -1.42 -2.78 114.58 119.00 1q0k h GLU 17 Ca 0.39 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 1q0k h GLU 17 Cb 0.05 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1q0k h GLU 17 CO -0.14 0.99 -0.42 0.00 -1.16 0.00 0.00 179.01 178.28 1q0k h ALA 18 N 0.96 1.28 -0.23 3.43 0.00 -0.57 -2.45 119.26 121.67 1q0k h ALA 18 Ca 0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1q0k h ALA 18 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1q0k h ALA 18 CO 0.09 0.54 -0.38 0.93 0.00 0.00 0.00 179.25 180.42 1q0k h GLU 19 N 0.03 0.53 -0.60 0.00 5.08 -0.90 -2.49 114.58 116.22 1q0k h GLU 19 Ca -0.00 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1q0k h GLU 19 Cb 0.75 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1q0k h GLU 19 CO 0.06 0.83 0.20 0.77 -1.00 0.00 0.00 179.01 179.87 1q0k h SER 20 N 0.44 0.86 -0.01 1.42 0.02 -1.18 -0.45 113.55 114.66 1q0k h SER 20 Ca 0.04 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1q0k h SER 20 Cb 0.87 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 1q0k h SER 20 CO 0.07 0.83 -0.20 0.58 -1.14 0.00 0.00 176.83 176.97 1q0k h VAL 21 N 0.85 0.52 -0.62 2.27 2.07 -1.11 0.42 116.25 120.64 1q0k h VAL 21 Ca 0.20 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 1q0k h VAL 21 Cb 0.27 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1q0k h VAL 21 CO -0.01 0.00 0.17 0.50 0.02 0.00 0.00 177.57 178.25 1q0k h LYS 22 N -0.32 0.98 -0.28 1.57 3.64 -1.30 -1.87 116.57 118.98 1q0k h LYS 22 Ca 0.06 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1q0k h LYS 22 Cb 0.40 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1q0k h LYS 22 CO -0.19 0.88 0.14 0.00 -2.27 0.00 0.00 179.45 178.00 1q0k h ALA 23 N 1.06 1.71 -0.04 5.00 0.00 -0.72 -1.61 119.26 124.66 1q0k h ALA 23 Ca 0.20 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 1q0k h ALA 23 Cb 0.33 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1q0k h ALA 23 CO -0.00 0.24 -0.98 0.82 0.00 0.00 0.00 179.25 179.33 1q0k h ILE 24 N 0.39 1.28 -0.52 0.00 2.04 -0.51 -2.58 117.51 117.62 1q0k h ILE 24 Ca 0.10 -2.20 -0.00 0.00 1.00 0.00 0.00 64.86 63.76 1q0k h ILE 24 Cb 0.04 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1q0k h ILE 24 CO -0.01 0.68 0.31 1.56 0.00 0.00 0.00 178.15 180.69 1q0k h GLN 25 N 0.42 0.70 -0.25 2.37 4.20 -0.78 -1.00 115.11 120.77 1q0k h GLN 25 Ca -0.11 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 1q0k h GLN 25 Cb 1.62 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.25 1q0k h GLN 25 CO 0.19 0.49 -0.16 0.93 -0.67 0.00 0.00 178.83 179.61 1q0k h GLU 26 N 0.71 0.55 -0.34 1.46 5.08 -1.24 -3.01 114.58 117.79 1q0k h GLU 26 Ca 0.19 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1q0k h GLU 26 Cb -0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1q0k h GLU 26 CO -0.04 0.83 0.02 0.87 -1.00 0.00 0.00 179.01 179.69 1q0k h LYS 27 N 0.27 0.52 -0.27 2.33 1.57 -1.01 -2.86 116.57 117.11 1q0k h LYS 27 Ca 0.05 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1q0k h LYS 27 Cb 0.68 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1q0k h LYS 27 CO 0.04 0.53 0.17 0.52 -0.57 0.00 0.00 179.45 180.15 1q0k h MET 28 N 0.50 0.36 -0.71 3.15 2.86 -1.12 -1.55 114.93 118.42 1q0k h MET 28 Ca 0.11 -0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.89 1q0k h MET 28 Cb 0.30 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1q0k h MET 28 CO 0.01 0.27 0.49 0.00 1.06 0.00 0.00 176.91 178.74 1q0k h ALA 29 N 1.07 2.37 0.04 6.32 0.00 -1.38 -2.21 119.26 125.48 1q0k h ALA 29 Ca 0.10 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 1q0k h ALA 29 Cb -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1q0k h ALA 29 CO -0.02 -0.57 -1.43 0.00 0.00 0.00 0.00 179.25 177.23 1q0k h ALA 30 N 1.66 0.45 -3.56 0.00 0.00 -1.39 -3.44 119.26 112.99 1q0k h ALA 30 Ca 0.35 -1.16 -0.68 0.00 0.00 0.00 0.00 54.91 53.41 1q0k h ALA 30 Cb 1.07 0.21 -0.34 0.00 0.00 0.00 0.00 17.79 18.74 1q0k h ALA 30 CO -0.07 1.32 -0.72 1.21 0.00 0.00 0.00 179.25 180.98 1q0k s ASN 31 N -6.62 4.76 0.00 0.00 3.84 -0.64 -4.97 114.94 111.30 1q0k s ASN 31 Ca -0.05 -1.27 0.23 0.00 0.21 0.00 0.00 52.86 51.99 1q0k s ASN 31 Cb 0.08 -1.68 0.81 0.00 -0.55 0.00 0.00 41.25 39.92 1q0k s ASN 31 CO 0.83 -0.24 1.59 -0.90 -2.79 0.00 0.00 177.10 175.60 1q0k n ASP 32 N 4.59 1.75 -4.64 -4.21 5.75 -1.26 -4.67 116.55 113.85 1q0k n ASP 32 Ca -0.14 -1.67 -0.44 0.00 -0.01 0.00 0.00 54.79 52.54 1q0k n ASP 32 Cb 0.43 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.43 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 0.37 2.06 0.22 -1.12 2.03 -1.26 -4.85 116.55 114.00 1q0k n ASP 33 Ca 0.17 1.19 -0.15 0.00 0.52 0.00 0.00 54.79 56.51 1q0k n ASP 33 Cb 0.36 -1.38 -0.08 0.00 -0.72 0.00 0.00 41.12 39.30 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 2.51 -0.42 -1.23 -2.67 5.85 -1.99 -1.57 115.31 115.78 1q0k h LEU 34 Ca -0.43 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1q0k h LEU 34 Cb 1.31 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 1q0k h LEU 34 CO 0.63 -0.30 0.22 0.45 -0.34 0.00 0.00 178.44 179.10 1q0k h HIS 35 N -0.50 0.75 -0.31 1.25 3.86 -2.00 -1.12 115.15 117.08 1q0k h HIS 35 Ca -0.05 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.00 1q0k h HIS 35 Cb 0.38 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1q0k h HIS 35 CO -0.05 0.58 -0.34 0.35 0.86 0.00 0.00 177.93 179.32 1q0k h PHE 36 N 0.75 0.82 -0.48 2.45 3.57 -1.91 -1.71 116.94 120.43 1q0k h PHE 36 Ca 0.18 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1q0k h PHE 36 Cb 0.13 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1q0k h PHE 36 CO 0.01 0.95 0.12 1.96 -2.23 0.00 0.00 178.31 179.11 1q0k h GLN 37 N 0.59 0.72 0.05 1.11 1.08 -0.50 0.41 115.11 118.57 1q0k h GLN 37 Ca 0.06 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1q0k h GLN 37 Cb 0.86 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1q0k h GLN 37 CO 0.07 0.65 -0.02 0.82 -0.95 0.00 0.00 178.83 179.41 1q0k h ILE 38 N 0.70 1.23 -0.69 2.54 2.04 -0.92 -1.09 117.51 121.33 1q0k h ILE 38 Ca 0.16 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1q0k h ILE 38 Cb 0.26 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1q0k h ILE 38 CO -0.00 0.24 0.42 0.03 0.00 0.00 0.00 178.15 178.84 1q0k h ARG 39 N -0.50 0.93 -0.72 2.37 3.08 -1.18 -0.48 114.38 117.89 1q0k h ARG 39 Ca -0.01 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1q0k h ARG 39 Cb 0.45 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1q0k h ARG 39 CO 0.01 0.65 0.34 0.00 -1.07 0.00 0.00 179.97 179.90 1q0k h ALA 40 N 1.22 0.92 -0.45 0.04 0.00 -0.91 -0.38 119.26 119.71 1q0k h ALA 40 Ca 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1q0k h ALA 40 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1q0k h ALA 40 CO -0.05 0.49 0.04 1.15 0.00 0.00 0.00 179.25 180.88 1q0k h THR 41 N 1.00 1.25 0.12 0.00 2.02 -0.65 -0.53 112.91 116.13 1q0k h THR 41 Ca 0.25 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1q0k h THR 41 Cb 0.13 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1q0k h THR 41 CO -0.03 0.34 -0.06 0.58 0.37 0.00 0.00 175.52 176.72 1q0k h VAL 42 N 0.63 0.97 -0.34 3.16 2.07 -0.84 -2.49 116.25 119.41 1q0k h VAL 42 Ca 0.13 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1q0k h VAL 42 Cb 0.44 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1q0k h VAL 42 CO 0.02 0.08 -0.15 0.40 0.02 0.00 0.00 177.57 177.93 1q0k h ILE 43 N -0.30 1.25 -0.74 4.57 2.04 -1.06 -2.77 117.51 120.50 1q0k h ILE 43 Ca -0.02 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 1q0k h ILE 43 Cb 0.24 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1q0k h ILE 43 CO 0.03 0.38 0.25 0.50 0.00 0.00 0.00 178.15 179.31 1q0k h LYS 44 N 0.55 1.14 -0.84 2.37 3.64 -1.05 -1.52 116.57 120.85 1q0k h LYS 44 Ca 0.09 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1q0k h LYS 44 Cb 0.58 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 1q0k h LYS 44 CO 0.04 0.96 0.55 1.49 -2.27 0.00 0.00 179.45 180.21 1q0k h GLU 45 N 1.10 1.04 -0.10 1.90 4.57 -1.18 -1.20 114.58 120.70 1q0k h GLU 45 Ca 0.24 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1q0k h GLU 45 Cb 0.28 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1q0k h GLU 45 CO -0.01 0.69 -0.09 1.96 -1.18 0.00 0.00 179.01 180.37 1q0k h GLN 46 N 1.07 0.25 -0.82 1.92 4.20 -1.20 -1.80 115.11 118.73 1q0k h GLN 46 Ca 0.33 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 1q0k h GLN 46 Cb -0.01 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1q0k h GLN 46 CO -0.11 0.65 0.40 0.00 -0.67 0.00 0.00 178.83 179.11 1q0k h ARG 47 N -0.15 1.17 -0.53 1.46 2.47 -1.13 -0.93 114.38 116.75 1q0k h ARG 47 Ca 0.02 -0.17 -0.07 0.00 -1.26 0.00 0.00 59.98 58.51 1q0k h ARG 47 Cb 0.60 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1q0k h ARG 47 CO 0.02 0.90 0.08 0.00 0.56 0.00 0.00 179.97 181.52 1q0k h ALA 48 N 1.21 0.71 -0.89 0.04 0.00 -1.24 -0.77 119.26 118.32 1q0k h ALA 48 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1q0k h ALA 48 Cb 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1q0k h ALA 48 CO -0.04 0.46 0.56 1.49 0.00 0.00 0.00 179.25 181.72 1q0k h GLU 49 N 0.77 1.19 -0.32 0.00 4.57 -0.85 -0.41 114.58 119.53 1q0k h GLU 49 Ca 0.16 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1q0k h GLU 49 Cb 0.42 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1q0k h GLU 49 CO 0.01 0.81 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.56 1q0k h LEU 50 N 1.22 0.58 -0.43 1.64 3.38 -0.77 -1.78 115.31 119.14 1q0k h LEU 50 Ca 0.32 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1q0k h LEU 50 Cb -0.10 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1q0k h LEU 50 CO -0.07 0.76 0.13 0.00 0.09 0.00 0.00 178.44 179.36 1q0k h ALA 51 N 0.83 0.51 -0.73 1.53 0.00 -0.63 -0.66 119.26 120.12 1q0k h ALA 51 Ca 0.09 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1q0k h ALA 51 Cb 0.48 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1q0k h ALA 51 CO 0.02 -0.26 0.45 0.87 0.00 0.00 0.00 179.25 180.33 1q0k h LYS 52 N 0.29 0.85 -0.38 0.00 1.57 -0.91 -1.97 116.57 116.03 1q0k h LYS 52 Ca 0.21 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1q0k h LYS 52 Cb 0.22 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1q0k h LYS 52 CO -0.23 0.56 0.20 1.25 -0.57 0.00 0.00 179.45 180.66 1q0k h HIS 53 N 0.88 0.53 -0.99 -1.35 2.76 -0.48 -0.34 115.15 116.16 1q0k h HIS 53 Ca 0.29 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.48 1q0k h HIS 53 Cb 0.04 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 28.78 1q0k h HIS 53 CO -0.04 0.42 0.65 0.45 -1.30 0.00 0.00 177.93 178.11 1q0k h HIS 54 N 0.48 1.22 -0.25 5.26 3.86 -0.72 -0.82 115.15 124.16 1q0k h HIS 54 Ca 0.13 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.22 1q0k h HIS 54 Cb 0.08 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1q0k h HIS 54 CO -0.02 0.72 -0.46 -0.07 0.86 0.00 0.00 177.93 178.96 1q0k h LEU 55 N 1.27 0.71 -0.83 2.43 3.38 -1.05 -2.63 115.31 118.59 1q0k h LEU 55 Ca 0.39 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1q0k h LEU 55 Cb -0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1q0k h LEU 55 CO -0.11 1.06 0.46 0.44 0.09 0.00 0.00 178.44 180.37 1q0k h ASP 56 N 0.53 1.04 -0.38 -0.43 3.32 -0.32 -1.92 116.42 118.25 1q0k h ASP 56 Ca 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1q0k h ASP 56 Cb 1.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1q0k h ASP 56 CO 0.09 0.84 0.14 0.58 -1.72 0.00 0.00 179.24 179.17 1q0k h VAL 57 N 1.16 1.20 -0.60 -1.35 2.07 -1.00 -0.03 116.25 117.69 1q0k h VAL 57 Ca 0.29 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1q0k h VAL 57 Cb 0.03 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1q0k h VAL 57 CO -0.05 0.22 0.38 -0.07 0.02 0.00 0.00 177.57 178.08 1q0k h LEU 58 N 0.47 0.64 -0.52 2.57 3.38 -1.22 0.52 115.31 121.15 1q0k h LEU 58 Ca 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1q0k h LEU 58 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1q0k h LEU 58 CO -0.01 0.46 0.19 -0.25 0.09 0.00 0.00 178.44 178.92 1q0k h TRP 59 N 0.77 0.81 0.05 1.13 7.01 -1.09 -0.43 115.95 124.19 1q0k h TRP 59 Ca 0.23 -0.07 -0.30 0.00 2.11 0.00 0.00 58.89 60.87 1q0k h TRP 59 Cb -0.03 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 1q0k h TRP 59 CO -0.04 0.68 -1.63 0.66 -2.79 0.00 0.00 178.44 175.31 1q0k h SER 60 N 0.71 0.16 0.00 2.65 4.64 -0.72 -3.40 113.55 117.59 1q0k h SER 60 Ca 0.17 -0.28 -0.33 0.00 -0.47 0.00 0.00 61.79 60.88 1q0k h SER 60 Cb 0.23 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 1q0k h SER 60 CO -0.01 1.25 -2.06 0.47 -0.87 0.00 0.00 176.83 175.61 1q0k n ASP 61 N -3.25 1.83 0.14 4.97 9.92 0.18 -4.84 116.55 125.51 1q0k n ASP 61 Ca -0.17 0.32 -0.07 0.00 -0.53 0.00 0.00 54.79 54.34 1q0k n ASP 61 Cb 1.04 -0.75 -0.03 0.00 -0.64 0.00 0.00 41.12 40.74 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 -0.93 -0.40 -2.66 1.24 3.20 -1.44 -3.44 116.97 112.53 1q0k h TYR 62 Ca -0.49 -0.01 -0.53 0.00 3.14 0.00 0.00 58.73 60.84 1q0k h TYR 62 Cb 1.41 0.13 0.04 0.00 1.54 0.00 0.00 36.73 39.85 1q0k h TYR 62 CO -0.16 -0.25 1.01 -0.06 -1.64 0.00 0.00 178.16 177.06 1q0k s PHE 63 N -2.98 2.58 0.42 -3.82 0.08 -0.21 -5.01 117.98 109.04 1q0k s PHE 63 Ca -0.06 0.28 0.07 0.00 0.12 0.00 0.00 56.93 57.34 1q0k s PHE 63 Cb 0.01 -4.07 -0.05 0.00 -0.57 0.00 0.00 43.02 38.34 1q0k s PHE 63 CO 0.19 -4.21 0.20 0.15 -0.10 0.00 0.00 175.22 171.45 1q0k s LYS 64 N 2.01 2.26 0.28 0.44 -0.14 -1.26 -4.76 119.74 118.56 1q0k s LYS 64 Ca 0.76 -1.82 -0.01 0.00 -1.36 0.00 0.00 55.97 53.54 1q0k s LYS 64 Cb -0.45 -2.02 0.62 0.00 -1.68 0.00 0.00 37.83 34.30 1q0k s LYS 64 CO 0.33 -0.13 1.64 -1.35 -0.76 0.00 0.00 175.35 175.08 1q0k h PRO 65 N 1.38 0.16 -0.65 -1.68 0.11 -1.99 0.58 132.00 129.90 1q0k h PRO 65 Ca -0.43 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.74 1q0k h PRO 65 Cb 1.25 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1q0k h PRO 65 CO 0.69 0.11 0.43 -1.35 -0.21 0.00 0.00 178.00 177.66 1q0k h PRO 66 N 0.16 0.64 -0.33 1.05 0.11 -1.99 -1.36 132.00 130.28 1q0k h PRO 66 Ca 0.51 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.50 1q0k h PRO 66 Cb 0.99 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1q0k h PRO 66 CO -0.67 0.42 -0.12 0.45 -0.21 0.00 0.00 178.00 177.87 1q0k h HIS 67 N 0.66 0.76 0.00 0.65 3.86 -1.28 -1.35 115.15 118.44 1q0k h HIS 67 Ca 0.28 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1q0k h HIS 67 Cb 0.27 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1q0k h HIS 67 CO -0.00 0.85 -0.21 0.74 0.86 0.00 0.00 177.93 180.17 1q0k h PHE 68 N 0.44 0.00 0.03 2.45 0.04 -1.07 0.70 116.94 119.53 1q0k h PHE 68 Ca 0.08 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.71 1q0k h PHE 68 Cb 0.63 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.79 1q0k h PHE 68 CO 0.05 0.21 -0.56 1.49 -0.60 0.00 0.00 178.31 178.90 1q0k h GLU 69 N 0.00 0.33 0.00 1.51 4.81 -1.03 -2.99 114.58 117.21 1q0k h GLU 69 Ca -0.00 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1q0k h GLU 69 Cb 0.57 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1q0k h GLU 69 CO 0.03 1.09 -0.12 0.77 -0.73 0.00 0.00 179.01 180.05 1q0k h SER 70 N -0.25 0.00 -2.49 1.04 0.02 -1.00 -3.34 113.55 107.52 1q0k h SER 70 Ca -0.08 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.28 1q0k h SER 70 Cb 1.31 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.45 1q0k h SER 70 CO 0.11 0.12 -0.81 -1.22 -1.14 0.00 0.00 176.83 173.89 1q0k n TYR 71 N -3.25 1.23 0.10 3.45 4.01 0.22 -4.96 117.16 117.97 1q0k n TYR 71 Ca 0.01 -3.81 0.05 0.00 -0.16 0.00 0.00 57.90 53.99 1q0k n TYR 71 Cb 0.40 -0.26 0.27 0.00 -0.31 0.00 0.00 39.34 39.44 1q0k n TYR 71 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1q0k n PRO 72 N 1.98 0.07 0.00 -0.72 -0.02 -1.13 -0.84 135.00 134.33 1q0k n PRO 72 Ca 0.25 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.35 1q0k n PRO 72 Cb 0.44 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 1q0k n PRO 72 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1q0k n GLU 73 N -1.83 0.07 -0.16 -0.52 0.00 -1.26 -4.54 120.64 112.39 1q0k n GLU 73 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 57.16 57.12 1q0k n GLU 73 Cb 0.16 -1.51 0.07 0.00 0.00 0.00 0.00 31.44 30.15 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 0.02 -0.10 -1.84 5.85 -1.32 0.23 115.31 118.16 1q0k h LEU 74 Ca 0.00 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1q0k h LEU 74 Cb 0.55 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1q0k h LEU 74 CO 0.00 0.04 -0.09 0.45 -0.34 0.00 0.00 178.44 178.50 1q0k h HIS 75 N 0.25 -0.22 -0.66 1.25 3.86 -1.80 -0.79 115.15 117.05 1q0k h HIS 75 Ca 0.25 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.39 1q0k h HIS 75 Cb 0.33 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 1q0k h HIS 75 CO -0.22 -0.14 0.08 1.15 0.86 0.00 0.00 177.93 179.67 1q0k h THR 76 N -0.11 1.26 0.31 2.45 2.02 -1.74 -1.56 112.91 115.55 1q0k h THR 76 Ca 0.07 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 1q0k h THR 76 Cb 0.21 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1q0k h THR 76 CO -0.16 0.40 -0.19 0.25 0.37 0.00 0.00 175.52 176.18 1q0k h LEU 77 N 1.03 -0.48 -0.80 2.58 5.85 -0.15 0.15 115.31 123.48 1q0k h LEU 77 Ca 0.20 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1q0k h LEU 77 Cb 0.47 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1q0k h LEU 77 CO 0.02 -0.31 0.38 0.58 -0.34 0.00 0.00 178.44 178.77 1q0k h VAL 78 N -0.49 1.25 -0.63 1.05 2.07 -1.13 0.15 116.25 118.52 1q0k h VAL 78 Ca -0.03 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1q0k h VAL 78 Cb 0.40 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1q0k h VAL 78 CO 0.03 0.30 0.30 -1.13 0.02 0.00 0.00 177.57 177.10 1q0k h ASN 79 N 1.14 0.83 0.24 0.57 -0.73 -1.04 -1.32 115.58 115.27 1q0k h ASN 79 Ca 0.28 -0.13 -0.10 0.00 1.87 0.00 0.00 56.30 58.22 1q0k h ASN 79 Cb 0.12 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1q0k h ASN 79 CO -0.03 0.73 -0.39 -0.33 -0.37 0.00 0.00 177.43 177.04 1q0k h GLU 80 N 0.87 0.20 -0.10 6.67 5.08 -0.31 -1.44 114.58 125.56 1q0k h GLU 80 Ca 0.22 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1q0k h GLU 80 Cb 0.12 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1q0k h GLU 80 CO -0.03 0.56 0.01 0.00 -1.00 0.00 0.00 179.01 178.56 1q0k h ALA 81 N 1.44 0.13 -0.34 3.43 0.00 -0.29 -0.29 119.26 123.34 1q0k h ALA 81 Ca 0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1q0k h ALA 81 Cb 0.76 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1q0k h ALA 81 CO 0.06 -0.22 -0.20 -0.39 0.00 0.00 0.00 179.25 178.50 1q0k h VAL 82 N -0.08 1.26 0.00 0.00 -1.51 -1.16 -1.69 116.25 113.08 1q0k h VAL 82 Ca 0.03 -1.24 -0.06 0.00 -1.23 0.00 0.00 66.70 64.19 1q0k h VAL 82 Cb 0.29 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 1q0k h VAL 82 CO 0.00 0.41 -0.30 0.11 -1.23 0.00 0.00 177.57 176.56 1q0k h LYS 83 N 0.56 0.00 -0.10 5.19 1.57 -1.13 -1.57 116.57 121.09 1q0k h LYS 83 Ca 0.09 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1q0k h LYS 83 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1q0k h LYS 83 CO 0.05 0.30 -0.59 0.00 -0.57 0.00 0.00 179.45 178.64 1q0k h ALA 84 N 1.70 0.81 -0.20 3.86 0.00 -0.28 -1.59 119.26 123.56 1q0k h ALA 84 Ca -0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1q0k h ALA 84 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1q0k h ALA 84 CO 0.04 0.71 -0.39 -0.07 0.00 0.00 0.00 179.25 179.54 1q0k h LEU 85 N 0.25 0.47 -0.62 0.00 3.38 -0.55 -1.22 115.31 117.01 1q0k h LEU 85 Ca -0.00 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1q0k h LEU 85 Cb 1.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1q0k h LEU 85 CO 0.10 0.81 0.11 0.28 0.09 0.00 0.00 178.44 179.83 1q0k h SER 86 N 0.37 0.98 -0.14 -0.43 0.02 -0.97 -1.99 113.55 111.38 1q0k h SER 86 Ca 0.04 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.66 1q0k h SER 86 Cb 0.85 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1q0k h SER 86 CO 0.07 0.98 -0.11 0.00 -1.14 0.00 0.00 176.83 176.63 1q0k h ALA 87 N 1.03 1.27 -0.00 3.77 0.00 -0.94 -2.39 119.26 122.00 1q0k h ALA 87 Ca 0.19 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1q0k h ALA 87 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1q0k h ALA 87 CO 0.01 0.48 -0.37 0.00 0.00 0.00 0.00 179.25 179.37 1q0k h ALA 88 N 1.43 1.39 -0.16 0.00 0.00 -0.68 -2.75 119.26 118.49 1q0k h ALA 88 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1q0k h ALA 88 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1q0k h ALA 88 CO 0.03 0.47 0.03 0.87 0.00 0.00 0.00 179.25 180.64 1q0k h LYS 89 N 0.00 0.25 -0.24 0.00 1.57 -0.85 -2.86 116.57 114.44 1q0k h LYS 89 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1q0k h LYS 89 Cb 0.66 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1q0k h LYS 89 CO 0.05 0.42 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 1q0k n ALA 90 N -2.27 2.42 -2.96 3.86 0.00 -1.08 -4.84 120.51 115.64 1q0k n ALA 90 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 1q0k n ALA 90 Cb 0.17 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.81 0.33 0.00 0.00 0.15 -1.06 -5.01 113.70 107.30 1q0k s SER 91 Ca 0.00 -0.50 0.17 0.00 0.70 0.00 0.00 55.95 56.32 1q0k s SER 91 Cb 0.00 0.09 0.09 0.00 -1.71 0.00 0.00 66.02 64.49 1q0k s SER 91 CO 0.00 -0.28 0.99 0.35 1.20 0.00 0.00 173.24 175.49 1q0k n THR 92 N 1.59 0.00 -2.56 6.45 -2.24 -1.26 -4.87 114.28 111.39 1q0k n THR 92 Ca -0.24 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 1q0k n THR 92 Cb 0.55 1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 70.06 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 -1.61 6.77 0.52 3.42 -1.08 -1.26 -4.70 116.67 118.72 1q0k s ASP 93 Ca 0.18 0.96 0.22 0.00 -0.52 0.00 0.00 52.55 53.39 1q0k s ASP 93 Cb 0.14 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 40.25 1q0k s ASP 93 CO 0.29 -1.04 1.63 -0.65 0.52 0.00 0.00 175.17 175.91 1q0k h PRO 94 N 8.79 0.00 -0.44 4.34 0.11 -1.89 0.16 132.00 143.08 1q0k h PRO 94 Ca -0.23 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.75 1q0k h PRO 94 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1q0k h PRO 94 CO 1.06 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 178.61 1q0k h ALA 95 N 1.26 0.75 -0.40 -0.75 0.00 -1.96 -1.80 119.26 116.35 1q0k h ALA 95 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1q0k h ALA 95 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1q0k h ALA 95 CO 0.00 0.66 0.08 1.79 0.00 0.00 0.00 179.25 181.78 1q0k h THR 96 N 0.78 1.19 -0.29 0.00 1.35 -1.36 -1.18 112.91 113.39 1q0k h THR 96 Ca 0.10 -0.69 -0.13 0.00 -0.55 0.00 0.00 66.41 65.14 1q0k h THR 96 Cb 0.79 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1q0k h THR 96 CO 0.07 0.25 -0.34 1.23 -0.25 0.00 0.00 175.52 176.48 1q0k h GLY 97 N 0.83 0.70 1.07 5.82 0.00 -1.53 -3.03 103.07 106.94 1q0k h GLY 97 Ca 0.13 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 1q0k h GLY 97 CO -0.00 0.60 -0.10 -1.61 0.00 0.00 0.00 176.54 175.42 1q0k h GLN 98 N 0.54 0.98 -0.89 4.80 5.75 -0.57 -2.67 115.11 123.06 1q0k h GLN 98 Ca 0.06 -0.36 0.06 0.00 -0.15 0.00 0.00 58.65 58.25 1q0k h GLN 98 Cb 0.84 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.27 1q0k h GLN 98 CO 0.07 1.04 0.58 -0.22 -2.65 0.00 0.00 178.83 177.65 1q0k h LYS 99 N 0.85 0.99 -0.18 1.69 3.64 -1.15 0.20 116.57 122.61 1q0k h LYS 99 Ca 0.13 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1q0k h LYS 99 Cb 0.66 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1q0k h LYS 99 CO 0.05 0.66 -0.03 0.00 -2.27 0.00 0.00 179.45 177.86 1q0k h ALA 100 N 1.51 0.24 -0.63 5.00 0.00 -1.40 -2.24 119.26 121.74 1q0k h ALA 100 Ca 0.38 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1q0k h ALA 100 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1q0k h ALA 100 CO -0.14 -0.01 0.42 -0.07 0.00 0.00 0.00 179.25 179.45 1q0k h LEU 101 N 0.06 0.63 -0.49 0.00 3.38 -0.99 0.33 115.31 118.22 1q0k h LEU 101 Ca 0.05 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1q0k h LEU 101 Cb 0.45 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1q0k h LEU 101 CO 0.01 0.43 0.06 0.44 0.09 0.00 0.00 178.44 179.48 1q0k h ASP 102 N 0.74 0.80 -0.45 -0.43 3.32 -0.38 -0.69 116.42 119.32 1q0k h ASP 102 Ca 0.26 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1q0k h ASP 102 Cb 0.10 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1q0k h ASP 102 CO -0.07 0.87 -0.05 1.88 -1.72 0.00 0.00 179.24 180.15 1q0k h TYR 103 N 0.70 0.91 -0.53 4.55 0.05 -0.73 -2.65 116.97 119.27 1q0k h TYR 103 Ca 0.15 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1q0k h TYR 103 Cb 0.42 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 1q0k h TYR 103 CO 0.03 0.90 0.26 0.82 -1.05 0.00 0.00 178.16 179.12 1q0k h ILE 104 N 0.66 1.17 -0.60 -2.88 2.04 -0.78 -1.39 117.51 115.74 1q0k h ILE 104 Ca 0.12 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1q0k h ILE 104 Cb 0.57 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1q0k h ILE 104 CO 0.03 0.20 0.24 0.00 0.00 0.00 0.00 178.15 178.62 1q0k h ALA 105 N 1.55 1.29 -0.39 1.87 0.00 -0.81 0.18 119.26 122.95 1q0k h ALA 105 Ca 0.19 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1q0k h ALA 105 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1q0k h ALA 105 CO -0.03 0.53 -0.27 1.96 0.00 0.00 0.00 179.25 181.44 1q0k h GLN 106 N 0.86 0.87 -0.55 0.00 4.20 -0.96 -1.69 115.11 117.84 1q0k h GLN 106 Ca 0.20 -0.42 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 1q0k h GLN 106 Cb 0.17 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1q0k h GLN 106 CO -0.02 1.06 -0.04 0.82 -0.67 0.00 0.00 178.83 179.99 1q0k h ILE 107 N 0.68 1.27 -0.39 2.54 2.04 -0.84 -2.14 117.51 120.66 1q0k h ILE 107 Ca 0.07 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 64.80 1q0k h ILE 107 Cb 0.85 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1q0k h ILE 107 CO 0.07 0.42 0.16 -0.78 0.00 0.00 0.00 178.15 178.03 1q0k h ASP 108 N 0.87 0.21 -0.24 1.72 3.58 -0.54 0.27 116.42 122.30 1q0k h ASP 108 Ca 0.15 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.65 1q0k h ASP 108 Cb 0.59 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1q0k h ASP 108 CO 0.04 0.16 0.09 0.50 -2.88 0.00 0.00 179.24 177.15 1q0k h LYS 109 N 0.34 0.20 -0.36 0.28 3.64 -1.05 -1.40 116.57 118.22 1q0k h LYS 109 Ca 0.17 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1q0k h LYS 109 Cb 0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1q0k h LYS 109 CO -0.15 0.13 -0.02 0.82 -2.27 0.00 0.00 179.45 177.96 1q0k h ILE 110 N 0.21 1.21 0.61 2.00 2.04 -0.98 -2.81 117.51 119.79 1q0k h ILE 110 Ca 0.10 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1q0k h ILE 110 Cb 0.06 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1q0k h ILE 110 CO -0.09 0.30 -0.47 0.15 0.00 0.00 0.00 178.15 178.03 1q0k h PHE 111 N 0.55 -1.29 0.00 1.37 3.57 0.55 -2.06 116.94 119.62 1q0k h PHE 111 Ca 0.11 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1q0k h PHE 111 Cb 0.39 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1q0k h PHE 111 CO 0.01 -0.67 -0.06 -1.49 -2.23 0.00 0.00 178.31 173.88 1q0k h TRP 112 N -1.04 0.00 -0.39 0.41 4.06 -1.31 -0.94 115.95 116.74 1q0k h TRP 112 Ca -0.08 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.77 1q0k h TRP 112 Cb 0.87 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.01 1q0k h TRP 112 CO -0.18 0.06 -0.18 0.93 -3.56 0.00 0.00 178.44 175.51 1q0k h GLU 113 N 0.00 0.74 0.00 0.49 5.08 -1.22 0.88 114.58 120.55 1q0k h GLU 113 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1q0k h GLU 113 Cb 0.13 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1q0k h GLU 113 CO 0.01 0.87 0.00 1.79 -1.00 0.00 0.00 179.01 180.68 1q0k h THR 114 N 0.66 0.00 0.01 1.13 1.35 -0.49 -1.93 112.91 113.64 1q0k h THR 114 Ca 0.10 -0.63 -0.04 0.00 -0.55 0.00 0.00 66.41 65.29 1q0k h THR 114 Cb 0.67 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1q0k h THR 114 CO 0.05 0.00 -0.21 0.11 -0.25 0.00 0.00 175.52 175.22 1q0k h LYS 115 N 0.00 0.02 -0.13 4.72 1.79 -0.55 -3.32 116.57 119.10 1q0k h LYS 115 Ca 0.00 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1q0k h LYS 115 Cb 0.68 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1q0k h LYS 115 CO 0.00 1.01 -0.12 0.87 -1.08 0.00 0.00 179.45 180.13 1q0k h LYS 116 N -0.96 0.20 0.00 3.15 1.57 -0.85 -3.51 116.57 116.17 1q0k h LYS 116 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1q0k h LYS 116 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1q0k h LYS 116 CO -0.02 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.20