#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 -0.57 -3.81 -0.12 0.00 -0.08 -1.26 -4.94 116.55 105.77 1q0k n ASP 3 Ca 0.09 0.13 -0.10 0.00 -1.51 0.00 0.00 54.79 53.40 1q0k n ASP 3 Cb 0.40 -1.76 -0.02 0.00 2.34 0.00 0.00 41.12 42.08 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 0.51-10.45 -2.67 5.85 -2.03 -3.46 115.31 103.06 1q0k h LEU 4 Ca -0.11 -0.19 -0.48 0.00 0.84 0.00 0.00 57.88 57.95 1q0k h LEU 4 Cb 0.40 -0.13 0.06 0.00 0.37 0.00 0.00 40.66 41.36 1q0k h LEU 4 CO 0.16 0.56 0.25 -2.16 -0.34 0.00 0.00 178.44 176.90 1q0k s PRO 5 N -5.47 2.86 -0.02 5.25 0.04 -1.26 -5.14 135.00 131.27 1q0k s PRO 5 Ca -0.13 0.11 0.15 0.00 0.04 0.00 0.00 61.00 61.18 1q0k s PRO 5 Cb 0.09 -2.20 -0.22 0.00 0.04 0.00 0.00 34.50 32.22 1q0k s PRO 5 CO 0.75 -0.82 0.41 0.00 0.04 0.00 0.00 177.00 177.38 1q0k n GLY 7 N 1.56 1.23 3.48 0.00 0.00 -1.26 -4.96 105.19 105.23 1q0k n GLY 7 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.11 4.91 0.03 1.61 1.01 -1.26 -4.94 120.40 118.65 1q0k s VAL 8 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1q0k s VAL 8 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1q0k s VAL 8 CO 0.00 0.02 -0.01 -0.31 0.00 0.00 0.00 175.10 174.79 1q0k s TYR 9 N 1.66 0.30 -0.30 5.22 2.02 -1.26 -1.32 117.35 123.68 1q0k s TYR 9 Ca 0.05 -0.63 -0.14 0.00 -0.37 0.00 0.00 57.07 55.98 1q0k s TYR 9 Cb -0.17 -0.23 0.17 0.00 -0.40 0.00 0.00 41.96 41.33 1q0k s TYR 9 CO 0.08 -0.25 1.00 0.34 -1.57 0.00 0.00 175.55 175.15 1q0k s ASP 10 N -1.84 -0.56 0.22 2.29 -1.08 -1.26 -5.01 116.67 109.42 1q0k s ASP 10 Ca -0.10 0.61 0.10 0.00 -0.52 0.00 0.00 52.55 52.64 1q0k s ASP 10 Cb -0.05 1.57 0.55 0.00 -1.46 0.00 0.00 42.92 43.53 1q0k s ASP 10 CO -0.03 -0.11 1.21 -2.65 0.52 0.00 0.00 175.17 174.11 1q0k n PRO 11 N 5.12 0.07 0.26 4.34 -0.02 -1.26 -1.58 135.00 141.92 1q0k n PRO 11 Ca -0.08 0.51 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1q0k n PRO 11 Cb 0.53 -1.92 0.64 0.00 -0.02 0.00 0.00 33.50 32.73 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 1.39 1.83 -0.72 3.55 0.00 -1.98 -0.31 119.26 123.03 1q0k h ALA 12 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1q0k h ALA 12 Cb 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1q0k h ALA 12 CO 0.00 0.06 0.36 1.96 0.00 0.00 0.00 179.25 181.63 1q0k h GLN 13 N 0.00 1.03 -0.06 0.00 4.20 -1.73 -0.28 115.11 118.27 1q0k h GLN 13 Ca -0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1q0k h GLN 13 Cb 0.10 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1q0k h GLN 13 CO 0.01 0.80 -0.07 0.00 -0.67 0.00 0.00 178.83 178.90 1q0k h ALA 14 N 1.17 0.08 -0.35 3.87 0.00 -1.45 -3.17 119.26 119.41 1q0k h ALA 14 Ca 0.25 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1q0k h ALA 14 Cb 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1q0k h ALA 14 CO -0.03 -0.10 0.05 -0.09 0.00 0.00 0.00 179.25 179.08 1q0k h ARG 15 N -0.32 0.16 -0.89 0.00 2.43 -0.87 -0.68 114.38 114.21 1q0k h ARG 15 Ca 0.01 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1q0k h ARG 15 Cb 0.60 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1q0k h ARG 15 CO 0.02 0.11 0.58 0.82 -1.51 0.00 0.00 179.97 179.98 1q0k h ILE 16 N 0.17 1.09 -0.25 1.20 2.04 -1.14 0.20 117.51 120.82 1q0k h ILE 16 Ca 0.17 -0.36 -0.20 0.00 1.00 0.00 0.00 64.86 65.48 1q0k h ILE 16 Cb 0.21 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1q0k h ILE 16 CO -0.24 0.19 -0.61 -0.33 0.00 0.00 0.00 178.15 177.16 1q0k h GLU 17 N 1.04 0.86 0.00 2.37 4.39 -1.40 -2.72 114.58 119.13 1q0k h GLU 17 Ca 0.37 -0.59 -0.06 0.00 0.34 0.00 0.00 59.36 59.43 1q0k h GLU 17 Cb 0.14 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1q0k h GLU 17 CO -0.13 1.21 -0.28 0.00 -1.16 0.00 0.00 179.01 178.65 1q0k h ALA 18 N 0.64 1.50 -0.61 3.43 0.00 -0.35 -2.14 119.26 121.74 1q0k h ALA 18 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1q0k h ALA 18 Cb 1.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1q0k h ALA 18 CO 0.13 0.35 0.08 0.93 0.00 0.00 0.00 179.25 180.75 1q0k h GLU 19 N 0.00 1.01 -0.48 0.00 5.08 -0.42 -1.90 114.58 117.87 1q0k h GLU 19 Ca -0.00 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1q0k h GLU 19 Cb 0.51 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1q0k h GLU 19 CO 0.04 0.96 0.04 0.77 -1.00 0.00 0.00 179.01 179.82 1q0k h SER 20 N 0.92 0.74 -0.25 1.42 0.02 -1.10 -0.94 113.55 114.35 1q0k h SER 20 Ca 0.18 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1q0k h SER 20 Cb 0.45 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1q0k h SER 20 CO 0.02 0.78 0.16 0.58 -1.14 0.00 0.00 176.83 177.23 1q0k h VAL 21 N 0.74 1.06 -0.41 2.27 2.07 -0.93 0.76 116.25 121.81 1q0k h VAL 21 Ca 0.15 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.42 1q0k h VAL 21 Cb 0.39 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1q0k h VAL 21 CO 0.01 0.06 -0.29 0.50 0.02 0.00 0.00 177.57 177.87 1q0k h LYS 22 N 0.34 0.89 -0.70 1.57 3.64 -1.08 -1.82 116.57 119.40 1q0k h LYS 22 Ca 0.09 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1q0k h LYS 22 Cb -0.04 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1q0k h LYS 22 CO -0.02 1.06 0.22 0.00 -2.27 0.00 0.00 179.45 178.44 1q0k h ALA 23 N 0.91 1.07 -0.48 5.00 0.00 -0.94 -1.67 119.26 123.16 1q0k h ALA 23 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1q0k h ALA 23 Cb 0.86 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1q0k h ALA 23 CO 0.08 0.63 0.04 0.82 0.00 0.00 0.00 179.25 180.82 1q0k h ILE 24 N 1.03 1.26 -0.54 0.00 2.04 -0.69 -1.74 117.51 118.87 1q0k h ILE 24 Ca 0.23 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1q0k h ILE 24 Cb 0.28 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1q0k h ILE 24 CO -0.01 0.35 0.29 1.56 0.00 0.00 0.00 178.15 180.34 1q0k h GLN 25 N 0.67 0.74 -0.38 2.37 4.20 -0.95 -0.27 115.11 121.50 1q0k h GLN 25 Ca 0.14 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1q0k h GLN 25 Cb 0.44 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1q0k h GLN 25 CO 0.02 0.55 -0.22 0.93 -0.67 0.00 0.00 178.83 179.44 1q0k h GLU 26 N 0.75 0.81 -0.32 1.46 5.08 -0.97 -2.57 114.58 118.82 1q0k h GLU 26 Ca 0.19 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1q0k h GLU 26 Cb 0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1q0k h GLU 26 CO -0.03 1.00 0.01 0.87 -1.00 0.00 0.00 179.01 179.86 1q0k h LYS 27 N 0.61 0.50 0.00 2.33 1.57 -0.69 -1.75 116.57 119.13 1q0k h LYS 27 Ca 0.08 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1q0k h LYS 27 Cb 0.78 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1q0k h LYS 27 CO 0.06 0.52 -0.29 0.52 -0.57 0.00 0.00 179.45 179.69 1q0k h MET 28 N 0.48 0.00 0.00 3.15 2.86 -0.81 -1.85 114.93 118.76 1q0k h MET 28 Ca 0.11 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1q0k h MET 28 Cb 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1q0k h MET 28 CO 0.01 0.29 -0.24 0.00 1.06 0.00 0.00 176.91 178.03 1q0k h ALA 29 N 1.71 0.98 -0.00 6.32 0.00 -0.92 -3.22 119.26 124.13 1q0k h ALA 29 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1q0k h ALA 29 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1q0k h ALA 29 CO 0.04 0.30 -0.73 0.00 0.00 0.00 0.00 179.25 178.86 1q0k n ALA 30 N -2.22 4.15 -3.58 0.00 0.00 -0.74 -4.87 120.51 113.25 1q0k n ALA 30 Ca 0.00 -0.56 -0.22 0.00 0.00 0.00 0.00 53.44 52.67 1q0k n ALA 30 Cb 0.46 -0.86 -0.16 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.83 1.72 -0.01 0.00 2.47 -0.96 -5.02 114.94 110.31 1q0k s ASN 31 Ca 0.12 -0.30 0.14 0.00 0.42 0.00 0.00 52.86 53.24 1q0k s ASN 31 Cb 0.17 0.04 0.41 0.00 -1.45 0.00 0.00 41.25 40.42 1q0k s ASN 31 CO 0.74 -0.32 1.34 -0.90 -3.72 0.00 0.00 177.10 174.24 1q0k n ASP 32 N 5.30 2.51 -4.70 -4.21 5.75 -1.26 -4.69 116.55 115.25 1q0k n ASP 32 Ca -0.06 -2.02 -0.43 0.00 -0.01 0.00 0.00 54.79 52.27 1q0k n ASP 32 Cb 0.49 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.83 3.66 -0.12 -1.12 2.03 -1.26 -4.85 116.55 115.72 1q0k n ASP 33 Ca 0.15 1.08 -0.05 0.00 0.52 0.00 0.00 54.79 56.50 1q0k n ASP 33 Cb 0.40 -1.53 0.01 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 6.18 -0.53 -1.24 -2.67 5.85 -1.99 -0.40 115.31 120.52 1q0k h LEU 34 Ca -0.44 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 1q0k h LEU 34 Cb 1.22 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1q0k h LEU 34 CO 0.91 -0.19 -0.13 0.45 -0.34 0.00 0.00 178.44 179.14 1q0k h HIS 35 N -0.07 0.38 -0.25 1.25 3.86 -1.99 -0.18 115.15 118.15 1q0k h HIS 35 Ca 0.20 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1q0k h HIS 35 Cb 0.37 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1q0k h HIS 35 CO -0.40 0.48 -0.15 0.35 0.86 0.00 0.00 177.93 179.07 1q0k h PHE 36 N 0.33 0.63 -0.66 2.45 3.57 -1.80 -2.09 116.94 119.37 1q0k h PHE 36 Ca 0.06 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.42 1q0k h PHE 36 Cb 0.44 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1q0k h PHE 36 CO 0.01 0.82 0.44 1.96 -2.23 0.00 0.00 178.31 179.31 1q0k h GLN 37 N 0.26 0.82 0.03 1.11 1.08 -0.58 0.11 115.11 117.94 1q0k h GLN 37 Ca 0.05 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1q0k h GLN 37 Cb 0.67 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1q0k h GLN 37 CO 0.04 0.54 -0.01 0.82 -0.95 0.00 0.00 178.83 179.27 1q0k h ILE 38 N 0.84 1.26 -0.60 2.54 2.04 -0.82 -1.82 117.51 120.95 1q0k h ILE 38 Ca 0.25 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1q0k h ILE 38 Cb -0.01 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1q0k h ILE 38 CO -0.06 0.24 0.29 0.03 0.00 0.00 0.00 178.15 178.64 1q0k h ARG 39 N -0.45 0.87 -0.79 2.37 3.08 -1.09 -1.60 114.38 116.77 1q0k h ARG 39 Ca -0.00 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1q0k h ARG 39 Cb 0.42 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1q0k h ARG 39 CO 0.01 0.70 0.36 0.00 -1.07 0.00 0.00 179.97 179.97 1q0k h ALA 40 N 1.12 1.02 -0.36 0.04 0.00 -0.82 -0.04 119.26 120.22 1q0k h ALA 40 Ca 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1q0k h ALA 40 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1q0k h ALA 40 CO -0.03 0.60 -0.00 1.15 0.00 0.00 0.00 179.25 180.97 1q0k h THR 41 N 1.12 1.26 -0.53 0.00 2.02 -1.09 -0.40 112.91 115.28 1q0k h THR 41 Ca 0.27 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 1q0k h THR 41 Cb 0.14 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1q0k h THR 41 CO -0.03 0.33 0.22 0.58 0.37 0.00 0.00 175.52 176.98 1q0k h VAL 42 N 0.45 1.21 -0.20 3.16 2.07 -1.01 -1.89 116.25 120.05 1q0k h VAL 42 Ca 0.10 -0.66 -0.17 0.00 0.82 0.00 0.00 66.70 66.79 1q0k h VAL 42 Cb 0.46 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1q0k h VAL 42 CO 0.02 0.25 -0.57 0.40 0.02 0.00 0.00 177.57 177.69 1q0k h ILE 43 N 0.72 1.31 -0.58 4.57 2.04 -0.94 -2.78 117.51 121.84 1q0k h ILE 43 Ca 0.18 -1.81 -0.07 0.00 1.00 0.00 0.00 64.86 64.15 1q0k h ILE 43 Cb 0.19 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1q0k h ILE 43 CO -0.02 0.57 0.07 0.50 0.00 0.00 0.00 178.15 179.27 1q0k h LYS 44 N 0.46 0.96 -0.47 2.37 3.64 -0.96 -1.38 116.57 121.20 1q0k h LYS 44 Ca 0.00 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1q0k h LYS 44 Cb 1.13 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1q0k h LYS 44 CO 0.11 0.91 0.31 1.49 -2.27 0.00 0.00 179.45 180.00 1q0k h GLU 45 N 0.90 0.61 -0.50 1.90 4.57 -1.26 -0.44 114.58 120.36 1q0k h GLU 45 Ca 0.18 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 1q0k h GLU 45 Cb 0.44 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1q0k h GLU 45 CO 0.01 0.41 0.08 1.96 -1.18 0.00 0.00 179.01 180.29 1q0k h GLN 46 N 0.63 0.84 -0.36 1.92 4.20 -1.19 -1.85 115.11 119.30 1q0k h GLN 46 Ca 0.17 -0.23 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 1q0k h GLN 46 Cb -0.06 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1q0k h GLN 46 CO -0.04 0.83 -0.27 0.00 -0.67 0.00 0.00 178.83 178.68 1q0k h ARG 47 N 0.71 0.81 -0.66 1.46 2.47 -1.05 -2.00 114.38 116.14 1q0k h ARG 47 Ca 0.15 -0.39 -0.03 0.00 -1.26 0.00 0.00 59.98 58.45 1q0k h ARG 47 Cb 0.40 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 1q0k h ARG 47 CO 0.01 1.03 0.28 0.00 0.56 0.00 0.00 179.97 181.85 1q0k h ALA 48 N 0.77 1.26 -0.58 0.04 0.00 -1.04 -0.57 119.26 119.14 1q0k h ALA 48 Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1q0k h ALA 48 Cb 0.84 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1q0k h ALA 48 CO 0.07 0.55 0.03 1.49 0.00 0.00 0.00 179.25 181.39 1q0k h GLU 49 N 0.94 1.01 -0.37 0.00 4.57 -1.20 -1.37 114.58 118.17 1q0k h GLU 49 Ca 0.22 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 58.00 1q0k h GLU 49 Cb 0.15 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1q0k h GLU 49 CO -0.02 0.99 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.55 1q0k h LEU 50 N 0.90 0.68 -0.81 1.64 3.38 -0.86 -0.91 115.31 119.34 1q0k h LEU 50 Ca 0.17 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1q0k h LEU 50 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1q0k h LEU 50 CO 0.02 0.87 -0.04 0.00 0.09 0.00 0.00 178.44 179.38 1q0k h ALA 51 N 1.19 1.00 -0.48 1.53 0.00 -0.83 -0.92 119.26 120.76 1q0k h ALA 51 Ca 0.10 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1q0k h ALA 51 Cb 0.65 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1q0k h ALA 51 CO 0.05 0.61 -0.21 0.87 0.00 0.00 0.00 179.25 180.57 1q0k h LYS 52 N 0.79 0.97 -0.51 0.00 1.57 -0.90 -2.27 116.57 116.22 1q0k h LYS 52 Ca 0.14 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1q0k h LYS 52 Cb 0.53 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1q0k h LYS 52 CO 0.03 1.08 0.29 1.25 -0.57 0.00 0.00 179.45 181.52 1q0k h HIS 53 N 0.84 0.70 -0.75 -1.35 2.76 -0.82 0.87 115.15 117.40 1q0k h HIS 53 Ca 0.11 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 1q0k h HIS 53 Cb 0.78 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 1q0k h HIS 53 CO 0.05 0.51 0.30 0.45 -1.30 0.00 0.00 177.93 177.94 1q0k h HIS 54 N 0.68 1.12 -0.37 5.26 3.86 -1.00 -1.12 115.15 123.59 1q0k h HIS 54 Ca 0.18 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 1q0k h HIS 54 Cb 0.04 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 1q0k h HIS 54 CO -0.02 0.85 -0.19 -0.07 0.86 0.00 0.00 177.93 179.36 1q0k h LEU 55 N 1.08 0.81 -0.89 2.43 3.38 -1.08 -2.46 115.31 118.58 1q0k h LEU 55 Ca 0.25 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1q0k h LEU 55 Cb 0.20 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1q0k h LEU 55 CO -0.02 1.04 0.57 0.44 0.09 0.00 0.00 178.44 180.56 1q0k h ASP 56 N 0.58 0.94 -0.66 -0.43 3.32 -0.48 -1.17 116.42 118.52 1q0k h ASP 56 Ca 0.08 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1q0k h ASP 56 Cb 0.74 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1q0k h ASP 56 CO 0.06 0.64 0.14 0.58 -1.72 0.00 0.00 179.24 178.93 1q0k h VAL 57 N 1.10 1.26 -0.60 -1.35 2.07 -1.09 0.49 116.25 118.13 1q0k h VAL 57 Ca 0.36 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1q0k h VAL 57 Cb 0.03 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1q0k h VAL 57 CO -0.13 0.37 0.21 -0.07 0.02 0.00 0.00 177.57 177.97 1q0k h LEU 58 N 1.00 0.85 -0.29 2.57 3.38 -0.93 0.33 115.31 122.22 1q0k h LEU 58 Ca 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1q0k h LEU 58 Cb 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1q0k h LEU 58 CO 0.01 0.82 0.05 -0.25 0.09 0.00 0.00 178.44 179.15 1q0k h TRP 59 N 0.84 0.50 0.18 1.13 7.01 -0.98 0.05 115.95 124.69 1q0k h TRP 59 Ca 0.20 -0.07 -0.33 0.00 2.11 0.00 0.00 58.89 60.80 1q0k h TRP 59 Cb 0.25 -0.14 0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1q0k h TRP 59 CO 0.02 0.56 -1.58 0.66 -2.79 0.00 0.00 178.44 175.30 1q0k h SER 60 N 0.29 0.61 0.01 2.65 4.64 -0.82 -3.38 113.55 117.56 1q0k h SER 60 Ca 0.09 -0.79 -0.40 0.00 -0.47 0.00 0.00 61.79 60.21 1q0k h SER 60 Cb 0.33 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 1q0k h SER 60 CO 0.00 1.65 -2.42 0.47 -0.87 0.00 0.00 176.83 175.66 1q0k n ASP 61 N -3.59 1.98 -0.06 4.97 9.92 0.12 -4.80 116.55 125.09 1q0k n ASP 61 Ca -0.19 0.04 -0.06 0.00 -0.53 0.00 0.00 54.79 54.05 1q0k n ASP 61 Cb 1.07 -0.58 -0.04 0.00 -0.64 0.00 0.00 41.12 40.93 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 -0.30 0.00 -3.10 1.24 3.20 -1.33 -3.46 116.97 113.22 1q0k h TYR 62 Ca -0.60 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.75 1q0k h TYR 62 Cb 1.81 0.00 0.05 0.00 1.54 0.00 0.00 36.73 40.13 1q0k h TYR 62 CO 0.00 0.35 0.80 -0.06 -1.64 0.00 0.00 178.16 177.61 1q0k s PHE 63 N -1.87 3.08 0.33 -3.82 0.08 -0.06 -5.01 117.98 110.71 1q0k s PHE 63 Ca -0.09 0.87 0.09 0.00 0.12 0.00 0.00 56.93 57.92 1q0k s PHE 63 Cb -0.00 -3.83 -0.05 0.00 -0.57 0.00 0.00 43.02 38.57 1q0k s PHE 63 CO 0.24 -2.89 0.06 0.15 -0.10 0.00 0.00 175.22 172.69 1q0k s LYS 64 N 0.46 2.22 0.31 0.44 -0.14 -1.26 -4.77 119.74 116.99 1q0k s LYS 64 Ca 0.64 -1.63 0.07 0.00 -1.36 0.00 0.00 55.97 53.69 1q0k s LYS 64 Cb -0.42 -2.05 0.88 0.00 -1.68 0.00 0.00 37.83 34.56 1q0k s LYS 64 CO 0.36 0.16 1.63 -1.35 -0.76 0.00 0.00 175.35 175.39 1q0k h PRO 65 N 1.72 0.16 -0.97 -1.68 0.11 -1.99 0.18 132.00 129.53 1q0k h PRO 65 Ca -0.43 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.72 1q0k h PRO 65 Cb 1.25 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1q0k h PRO 65 CO 0.64 0.10 0.63 -1.35 -0.21 0.00 0.00 178.00 177.82 1q0k h PRO 66 N 0.16 1.15 -0.49 1.05 0.11 -1.99 -1.75 132.00 130.24 1q0k h PRO 66 Ca 0.64 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.66 1q0k h PRO 66 Cb 1.40 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1q0k h PRO 66 CO -0.71 0.76 0.24 0.45 -0.21 0.00 0.00 178.00 178.53 1q0k h HIS 67 N 1.18 0.70 0.00 0.65 3.86 -1.04 0.31 115.15 120.81 1q0k h HIS 67 Ca 0.40 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 1q0k h HIS 67 Cb 0.07 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 1q0k h HIS 67 CO -0.01 0.55 -0.06 0.74 0.86 0.00 0.00 177.93 180.02 1q0k h PHE 68 N 0.65 0.00 0.16 2.45 0.04 -1.04 0.29 116.94 119.49 1q0k h PHE 68 Ca 0.17 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.67 1q0k h PHE 68 Cb 0.11 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.27 1q0k h PHE 68 CO -0.01 0.06 -1.25 0.93 -0.60 0.00 0.00 178.31 177.44 1q0k h GLU 69 N 0.00 0.34 -0.22 1.51 4.39 -0.55 -3.13 114.58 116.93 1q0k h GLU 69 Ca -0.00 -0.59 -0.07 0.00 0.34 0.00 0.00 59.36 59.04 1q0k h GLU 69 Cb 0.34 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1q0k h GLU 69 CO 0.01 1.28 -0.16 0.77 -1.16 0.00 0.00 179.01 179.74 1q0k h SER 70 N -0.19 0.36 -3.46 1.42 0.02 -0.51 -3.33 113.55 107.86 1q0k h SER 70 Ca -0.24 -0.09 -0.62 0.00 -0.84 0.00 0.00 61.79 60.00 1q0k h SER 70 Cb 1.84 -0.10 -0.41 0.00 0.14 0.00 0.00 62.40 63.88 1q0k h SER 70 CO 0.15 0.55 -0.70 -0.31 -1.14 0.00 0.00 176.83 175.38 1q0k s TYR 71 N -4.66 2.54 0.12 3.45 1.51 0.05 -4.96 117.35 115.40 1q0k s TYR 71 Ca -0.06 -2.81 0.26 0.00 -1.01 0.00 0.00 57.07 53.45 1q0k s TYR 71 Cb 0.15 -2.19 1.40 0.00 -0.11 0.00 0.00 41.96 41.21 1q0k s TYR 71 CO 0.76 -0.72 1.77 -1.35 -1.11 0.00 0.00 175.55 174.90 1q0k h PRO 72 N 6.22 0.00 -0.01 -1.71 0.11 -1.67 -1.63 132.00 133.32 1q0k h PRO 72 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1q0k h PRO 72 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1q0k h PRO 72 CO 0.57 0.00 -0.61 0.39 -0.21 0.00 0.00 178.00 178.15 1q0k n GLU 73 N -2.46 0.81 -0.21 1.05 -0.58 -1.26 -4.54 120.64 113.44 1q0k n GLU 73 Ca -0.02 -0.65 0.00 0.00 -0.42 0.00 0.00 57.16 56.07 1q0k n GLU 73 Cb 0.13 -1.49 0.12 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.60 0.29 -0.13 -4.62 5.85 -1.62 -0.44 115.31 116.25 1q0k h LEU 74 Ca 0.00 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1q0k h LEU 74 Cb 0.66 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1q0k h LEU 74 CO 0.00 0.17 -0.17 0.45 -0.34 0.00 0.00 178.44 178.55 1q0k h HIS 75 N 0.46 -0.44 -0.82 1.25 3.86 -1.80 -1.11 115.15 116.56 1q0k h HIS 75 Ca 0.32 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.52 1q0k h HIS 75 Cb 0.37 0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 1q0k h HIS 75 CO -0.15 -0.24 0.38 1.15 0.86 0.00 0.00 177.93 179.93 1q0k h THR 76 N -0.21 1.26 0.05 2.45 2.02 -1.72 -1.60 112.91 115.16 1q0k h THR 76 Ca 0.09 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1q0k h THR 76 Cb 0.35 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1q0k h THR 76 CO -0.25 0.31 -0.03 0.25 0.37 0.00 0.00 175.52 176.18 1q0k h LEU 77 N 1.17 -0.06 -0.70 2.58 5.85 -0.61 0.21 115.31 123.76 1q0k h LEU 77 Ca 0.28 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1q0k h LEU 77 Cb 0.14 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1q0k h LEU 77 CO -0.03 -0.00 0.18 0.58 -0.34 0.00 0.00 178.44 178.82 1q0k h VAL 78 N -0.11 1.26 -0.78 1.05 2.07 -1.10 -0.08 116.25 118.55 1q0k h VAL 78 Ca -0.01 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1q0k h VAL 78 Cb 0.10 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1q0k h VAL 78 CO 0.01 0.37 0.31 -1.13 0.02 0.00 0.00 177.57 177.15 1q0k h ASN 79 N 1.05 1.08 -0.23 0.57 -0.73 -1.08 -1.06 115.58 115.18 1q0k h ASN 79 Ca 0.22 -0.17 -0.12 0.00 1.87 0.00 0.00 56.30 58.10 1q0k h ASN 79 Cb 0.36 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1q0k h ASN 79 CO 0.00 0.96 -0.27 -0.33 -0.37 0.00 0.00 177.43 177.42 1q0k h GLU 80 N 1.13 0.71 -0.22 6.67 5.08 -0.67 -1.81 114.58 125.48 1q0k h GLU 80 Ca 0.26 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1q0k h GLU 80 Cb 0.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1q0k h GLU 80 CO -0.02 0.91 0.12 0.00 -1.00 0.00 0.00 179.01 179.02 1q0k h ALA 81 N 1.08 0.28 -0.33 3.43 0.00 -0.38 0.21 119.26 123.55 1q0k h ALA 81 Ca 0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1q0k h ALA 81 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1q0k h ALA 81 CO 0.06 -0.20 -0.20 -0.39 0.00 0.00 0.00 179.25 178.52 1q0k h VAL 82 N 0.25 1.26 -0.25 0.00 -1.51 -1.14 -1.81 116.25 113.07 1q0k h VAL 82 Ca 0.08 -1.23 -0.10 0.00 -1.23 0.00 0.00 66.70 64.22 1q0k h VAL 82 Cb 0.04 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 1q0k h VAL 82 CO -0.01 0.40 -0.27 0.11 -1.23 0.00 0.00 177.57 176.57 1q0k h LYS 83 N 0.55 0.49 -0.27 5.19 1.57 -0.97 -1.39 116.57 121.74 1q0k h LYS 83 Ca 0.09 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1q0k h LYS 83 Cb 0.64 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1q0k h LYS 83 CO 0.05 0.72 -0.15 0.00 -0.57 0.00 0.00 179.45 179.50 1q0k h ALA 84 N 1.28 1.26 -0.29 3.86 0.00 -0.07 -0.73 119.26 124.57 1q0k h ALA 84 Ca 0.06 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1q0k h ALA 84 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1q0k h ALA 84 CO 0.05 0.49 -0.40 -0.07 0.00 0.00 0.00 179.25 179.32 1q0k h LEU 85 N 0.42 0.74 -1.13 0.00 3.38 -0.75 -1.04 115.31 116.92 1q0k h LEU 85 Ca 0.08 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1q0k h LEU 85 Cb 0.51 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1q0k h LEU 85 CO 0.03 1.05 0.03 0.28 0.09 0.00 0.00 178.44 179.92 1q0k h SER 86 N 0.57 0.60 -0.45 -0.43 0.02 -0.58 -1.50 113.55 111.78 1q0k h SER 86 Ca 0.05 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1q0k h SER 86 Cb 0.93 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1q0k h SER 86 CO 0.08 0.65 -0.23 0.00 -1.14 0.00 0.00 176.83 176.19 1q0k h ALA 87 N 1.42 0.63 -0.36 3.77 0.00 -0.80 -2.74 119.26 121.19 1q0k h ALA 87 Ca 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1q0k h ALA 87 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1q0k h ALA 87 CO 0.01 0.63 0.13 0.00 0.00 0.00 0.00 179.25 180.02 1q0k h ALA 88 N 0.84 1.56 -0.92 0.00 0.00 -0.67 -1.88 119.26 118.19 1q0k h ALA 88 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1q0k h ALA 88 Cb 0.81 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1q0k h ALA 88 CO 0.07 0.35 0.53 0.87 0.00 0.00 0.00 179.25 181.06 1q0k h LYS 89 N 0.51 1.27 -0.87 0.00 1.57 -0.99 -2.55 116.57 115.50 1q0k h LYS 89 Ca 0.13 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1q0k h LYS 89 Cb 0.13 -0.26 -0.12 0.00 0.08 0.00 0.00 32.23 32.06 1q0k h LYS 89 CO -0.01 0.90 0.25 0.00 -0.57 0.00 0.00 179.45 180.02 1q0k n ALA 90 N -2.40 4.11 -3.14 3.86 0.00 -0.73 -4.85 120.51 117.37 1q0k n ALA 90 Ca 0.10 -1.69 -0.12 0.00 0.00 0.00 0.00 53.44 51.73 1q0k n ALA 90 Cb 0.08 -1.21 -0.10 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 -0.56 -0.04 0.00 0.00 0.15 -0.96 -5.01 113.70 107.28 1q0k s SER 91 Ca 0.39 -0.11 0.16 0.00 0.70 0.00 0.00 55.95 57.09 1q0k s SER 91 Cb 0.31 0.24 0.13 0.00 -1.71 0.00 0.00 66.02 64.99 1q0k s SER 91 CO 0.09 -0.37 1.01 0.35 1.20 0.00 0.00 173.24 175.52 1q0k n THR 92 N 1.49 0.00 -2.61 6.45 -2.24 -1.26 -4.88 114.28 111.23 1q0k n THR 92 Ca -0.22 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.63 1q0k n THR 92 Cb 0.56 1.34 -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 -1.36 6.73 0.63 3.42 -1.08 -1.26 -4.67 116.67 119.09 1q0k s ASP 93 Ca 0.19 0.68 0.25 0.00 -0.52 0.00 0.00 52.55 53.14 1q0k s ASP 93 Cb 0.14 -2.55 1.22 0.00 -1.46 0.00 0.00 42.92 40.27 1q0k s ASP 93 CO 0.20 -1.13 1.67 -0.65 0.52 0.00 0.00 175.17 175.79 1q0k h PRO 94 N 8.84 0.00 -0.69 4.34 0.11 -1.89 0.71 132.00 143.43 1q0k h PRO 94 Ca -0.22 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 1q0k h PRO 94 Cb 1.06 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1q0k h PRO 94 CO 1.09 0.00 0.31 0.00 -0.21 0.00 0.00 178.00 179.20 1q0k h ALA 95 N 1.05 1.26 -0.44 -0.75 0.00 -1.97 -0.42 119.26 118.00 1q0k h ALA 95 Ca 0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1q0k h ALA 95 Cb 1.44 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1q0k h ALA 95 CO -0.00 0.56 -0.16 1.79 0.00 0.00 0.00 179.25 181.44 1q0k h THR 96 N 0.98 1.27 -0.53 0.00 1.35 -1.26 -0.40 112.91 114.32 1q0k h THR 96 Ca 0.24 -1.27 -0.06 0.00 -0.55 0.00 0.00 66.41 64.77 1q0k h THR 96 Cb 0.13 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 1q0k h THR 96 CO -0.03 0.43 0.11 1.23 -0.25 0.00 0.00 175.52 177.01 1q0k h GLY 97 N 0.96 0.92 1.30 5.82 0.00 -1.49 -2.44 103.07 108.14 1q0k h GLY 97 Ca 0.11 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 1q0k h GLY 97 CO 0.05 0.56 0.05 -1.61 0.00 0.00 0.00 176.54 175.58 1q0k h GLN 98 N 0.75 0.86 -0.76 4.80 5.75 -0.79 -1.82 115.11 123.89 1q0k h GLN 98 Ca 0.16 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1q0k h GLN 98 Cb 0.37 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 1q0k h GLN 98 CO 0.01 0.83 0.48 -0.22 -2.65 0.00 0.00 178.83 177.28 1q0k h LYS 99 N 0.81 1.02 -0.39 1.69 3.64 -0.82 0.55 116.57 123.08 1q0k h LYS 99 Ca 0.16 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1q0k h LYS 99 Cb 0.41 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1q0k h LYS 99 CO 0.01 0.70 0.16 0.00 -2.27 0.00 0.00 179.45 178.05 1q0k h ALA 100 N 1.26 0.50 -0.73 5.00 0.00 -1.13 -2.01 119.26 122.15 1q0k h ALA 100 Ca 0.28 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1q0k h ALA 100 Cb -0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1q0k h ALA 100 CO -0.06 0.10 0.48 -0.07 0.00 0.00 0.00 179.25 179.70 1q0k h LEU 101 N 0.48 0.64 -0.30 0.00 3.38 -0.53 -1.15 115.31 117.83 1q0k h LEU 101 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1q0k h LEU 101 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1q0k h LEU 101 CO -0.01 0.41 0.11 0.44 0.09 0.00 0.00 178.44 179.48 1q0k h ASP 102 N 0.72 0.42 -0.48 -0.43 3.32 -0.21 -0.78 116.42 118.99 1q0k h ASP 102 Ca 0.32 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1q0k h ASP 102 Cb 0.32 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1q0k h ASP 102 CO -0.11 0.49 0.07 1.88 -1.72 0.00 0.00 179.24 179.85 1q0k h TYR 103 N 0.34 0.91 -0.63 4.55 0.05 -0.87 -2.12 116.97 119.18 1q0k h TYR 103 Ca 0.10 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 1q0k h TYR 103 Cb 0.20 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1q0k h TYR 103 CO -0.00 0.79 0.11 0.82 -1.05 0.00 0.00 178.16 178.83 1q0k h ILE 104 N 0.82 1.26 -0.62 -2.88 2.04 -1.00 -1.49 117.51 115.63 1q0k h ILE 104 Ca 0.17 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1q0k h ILE 104 Cb 0.38 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1q0k h ILE 104 CO 0.01 0.37 0.39 0.00 0.00 0.00 0.00 178.15 178.92 1q0k h ALA 105 N 1.14 0.79 -0.66 1.87 0.00 -0.68 0.11 119.26 121.82 1q0k h ALA 105 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1q0k h ALA 105 Cb 0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1q0k h ALA 105 CO 0.01 0.25 0.26 1.96 0.00 0.00 0.00 179.25 181.73 1q0k h GLN 106 N 0.84 0.97 -0.11 0.00 4.20 -0.99 -1.84 115.11 118.18 1q0k h GLN 106 Ca 0.22 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.62 1q0k h GLN 106 Cb -0.05 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1q0k h GLN 106 CO -0.04 0.79 -0.62 0.82 -0.67 0.00 0.00 178.83 179.11 1q0k h ILE 107 N 0.95 1.36 -0.52 2.54 2.04 -0.77 -2.90 117.51 120.22 1q0k h ILE 107 Ca 0.22 -1.96 -0.07 0.00 1.00 0.00 0.00 64.86 64.06 1q0k h ILE 107 Cb 0.19 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1q0k h ILE 107 CO -0.02 0.59 0.06 -0.78 0.00 0.00 0.00 178.15 178.00 1q0k h ASP 108 N 0.27 0.80 0.30 1.72 1.82 -0.30 0.91 116.42 121.95 1q0k h ASP 108 Ca -0.01 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 1q0k h ASP 108 Cb 1.15 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1q0k h ASP 108 CO 0.10 0.83 -0.14 0.50 -1.61 0.00 0.00 179.24 178.92 1q0k h LYS 109 N 0.80 -0.39 -1.00 0.28 3.64 -1.25 -1.82 116.57 116.83 1q0k h LYS 109 Ca 0.16 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1q0k h LYS 109 Cb 0.40 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1q0k h LYS 109 CO 0.01 -0.16 0.66 0.82 -2.27 0.00 0.00 179.45 178.52 1q0k h ILE 110 N -0.56 1.26 -0.14 2.00 2.04 -1.33 -1.68 117.51 119.10 1q0k h ILE 110 Ca -0.04 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.38 1q0k h ILE 110 Cb 0.41 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 1q0k h ILE 110 CO 0.07 0.25 -0.06 0.15 0.00 0.00 0.00 178.15 178.55 1q0k h PHE 111 N 1.36 -0.15 0.00 1.37 3.57 -0.66 -2.11 116.94 120.32 1q0k h PHE 111 Ca 0.37 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 1q0k h PHE 111 Cb -0.15 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 1q0k h PHE 111 CO 0.00 -0.10 -0.09 -1.49 -2.23 0.00 0.00 178.31 174.40 1q0k h TRP 112 N -0.05 0.00 -0.27 0.41 4.06 -0.97 -2.48 115.95 116.65 1q0k h TRP 112 Ca 0.08 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.89 1q0k h TRP 112 Cb 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 1q0k h TRP 112 CO -0.20 0.09 -0.39 0.93 -3.56 0.00 0.00 178.44 175.31 1q0k h GLU 113 N 0.00 0.64 0.00 0.49 5.08 -0.71 -2.24 114.58 117.84 1q0k h GLU 113 Ca -0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1q0k h GLU 113 Cb 0.61 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1q0k h GLU 113 CO 0.01 0.93 0.00 1.79 -1.00 0.00 0.00 179.01 180.74 1q0k h THR 114 N 0.53 0.00 0.00 1.13 1.35 -0.96 -3.00 112.91 111.95 1q0k h THR 114 Ca 0.05 -0.48 -0.17 0.00 -0.55 0.00 0.00 66.41 65.26 1q0k h THR 114 Cb 0.91 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 1q0k h THR 114 CO 0.08 0.00 -1.11 0.11 -0.25 0.00 0.00 175.52 174.35 1q0k h LYS 115 N 0.00 0.00 0.05 4.72 1.79 -1.09 -3.35 116.57 118.70 1q0k h LYS 115 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1q0k h LYS 115 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1q0k h LYS 115 CO 0.00 0.45 -0.02 0.87 -1.08 0.00 0.00 179.45 179.67 1q0k h LYS 116 N 0.00 -0.07 0.00 3.15 1.57 -1.30 -3.51 116.57 116.41 1q0k h LYS 116 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1q0k h LYS 116 Cb 1.59 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.91 1q0k h LYS 116 CO 0.06 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.50