#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 1.09 -4.14 -0.02 0.00 2.03 -1.26 -4.92 116.55 109.33 1q0k n ASP 3 Ca 0.15 0.05 -0.10 0.00 0.52 0.00 0.00 54.79 55.41 1q0k n ASP 3 Cb 0.54 -1.81 -0.04 0.00 -0.72 0.00 0.00 41.12 39.10 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 0.14-10.24 -2.67 5.85 -2.03 -3.46 115.31 102.89 1q0k h LEU 4 Ca -0.04 0.00 -0.49 0.00 0.84 0.00 0.00 57.88 58.19 1q0k h LEU 4 Cb 0.43 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.45 1q0k h LEU 4 CO 0.06 0.11 0.11 -2.16 -0.34 0.00 0.00 178.44 176.21 1q0k s PRO 5 N -6.18 3.63 0.05 5.25 0.04 -1.26 -5.12 135.00 131.41 1q0k s PRO 5 Ca -0.13 0.30 0.23 0.00 0.04 0.00 0.00 61.00 61.43 1q0k s PRO 5 Cb 0.08 -2.38 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 1q0k s PRO 5 CO 0.68 -0.14 0.97 0.00 0.04 0.00 0.00 177.00 178.55 1q0k n GLY 7 N 1.34 1.07 3.44 0.00 0.00 -1.26 -4.97 105.19 104.82 1q0k n GLY 7 Ca 0.01 0.00 -0.40 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 -3.56 4.77 0.03 1.61 1.01 -1.26 -4.94 120.40 118.06 1q0k s VAL 8 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1q0k s VAL 8 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1q0k s VAL 8 CO 0.00 -0.04 -0.08 -0.31 0.00 0.00 0.00 175.10 174.67 1q0k s TYR 9 N 1.62 0.66 -0.30 5.22 2.02 -1.26 -0.74 117.35 124.57 1q0k s TYR 9 Ca 0.04 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 1q0k s TYR 9 Cb -0.18 -0.40 0.18 0.00 -0.40 0.00 0.00 41.96 41.17 1q0k s TYR 9 CO 0.07 -0.07 0.72 0.34 -1.57 0.00 0.00 175.55 175.05 1q0k s ASP 10 N -1.32 -1.13 0.05 2.29 -1.08 -1.26 -5.00 116.67 109.22 1q0k s ASP 10 Ca -0.07 0.82 0.03 0.00 -0.52 0.00 0.00 52.55 52.80 1q0k s ASP 10 Cb -0.09 1.99 0.15 0.00 -1.46 0.00 0.00 42.92 43.51 1q0k s ASP 10 CO 0.00 -0.21 1.03 -2.65 0.52 0.00 0.00 175.17 173.86 1q0k n PRO 11 N 5.42 0.02 0.24 4.34 -0.02 -1.26 -1.28 135.00 142.47 1q0k n PRO 11 Ca -0.04 0.47 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 1q0k n PRO 11 Cb 0.51 -1.62 0.58 0.00 -0.02 0.00 0.00 33.50 32.95 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 1.78 1.85 -0.41 3.55 0.00 -1.98 -0.84 119.26 123.20 1q0k h ALA 12 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1q0k h ALA 12 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1q0k h ALA 12 CO 0.00 0.11 0.23 1.96 0.00 0.00 0.00 179.25 181.55 1q0k h GLN 13 N 0.00 0.56 -0.29 0.00 4.20 -1.63 -0.38 115.11 117.57 1q0k h GLN 13 Ca -0.00 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1q0k h GLN 13 Cb 0.16 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1q0k h GLN 13 CO 0.01 0.43 -0.09 0.00 -0.67 0.00 0.00 178.83 178.52 1q0k h ALA 14 N 1.10 0.40 -0.57 3.87 0.00 -1.49 -3.07 119.26 119.49 1q0k h ALA 14 Ca 0.14 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1q0k h ALA 14 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1q0k h ALA 14 CO -0.03 0.24 0.34 -0.09 0.00 0.00 0.00 179.25 179.71 1q0k h ARG 15 N 0.33 0.64 -0.86 0.00 2.43 -0.94 -1.61 114.38 114.37 1q0k h ARG 15 Ca 0.07 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1q0k h ARG 15 Cb 0.58 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1q0k h ARG 15 CO 0.03 0.42 0.42 0.82 -1.51 0.00 0.00 179.97 180.16 1q0k h ILE 16 N 0.66 1.26 -0.36 1.20 2.04 -1.07 0.18 117.51 121.42 1q0k h ILE 16 Ca 0.24 -0.72 -0.14 0.00 1.00 0.00 0.00 64.86 65.23 1q0k h ILE 16 Cb 0.06 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1q0k h ILE 16 CO -0.12 0.31 -0.34 -0.33 0.00 0.00 0.00 178.15 177.67 1q0k h GLU 17 N 1.23 0.83 -0.38 2.37 4.39 -1.40 -2.87 114.58 118.75 1q0k h GLU 17 Ca 0.30 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1q0k h GLU 17 Cb 0.11 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1q0k h GLU 17 CO -0.04 1.04 0.03 0.00 -1.16 0.00 0.00 179.01 178.88 1q0k h ALA 18 N 0.92 1.34 -0.68 3.43 0.00 -0.75 -2.02 119.26 121.50 1q0k h ALA 18 Ca 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1q0k h ALA 18 Cb 0.90 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1q0k h ALA 18 CO 0.08 0.46 0.31 0.93 0.00 0.00 0.00 179.25 181.03 1q0k h GLU 19 N 0.57 0.98 -0.71 0.00 5.08 -0.76 -1.88 114.58 117.85 1q0k h GLU 19 Ca 0.12 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1q0k h GLU 19 Cb 0.32 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1q0k h GLU 19 CO 0.01 0.77 0.23 0.77 -1.00 0.00 0.00 179.01 179.79 1q0k h SER 20 N 0.97 1.02 -0.15 1.42 0.02 -1.21 -1.15 113.55 114.47 1q0k h SER 20 Ca 0.24 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1q0k h SER 20 Cb 0.12 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1q0k h SER 20 CO -0.03 0.95 -0.04 0.58 -1.14 0.00 0.00 176.83 177.16 1q0k h VAL 21 N 1.04 0.85 -0.16 2.27 2.07 -0.88 0.43 116.25 121.86 1q0k h VAL 21 Ca 0.23 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 1q0k h VAL 21 Cb 0.29 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1q0k h VAL 21 CO -0.01 0.00 0.05 0.50 0.02 0.00 0.00 177.57 178.13 1q0k h LYS 22 N 0.00 0.25 -0.91 1.57 3.64 -1.18 -1.41 116.57 118.53 1q0k h LYS 22 Ca 0.07 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1q0k h LYS 22 Cb 0.11 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 1q0k h LYS 22 CO -0.16 0.38 0.59 0.00 -2.27 0.00 0.00 179.45 177.99 1q0k h ALA 23 N 0.86 1.57 -0.47 5.00 0.00 -1.02 -0.21 119.26 125.00 1q0k h ALA 23 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1q0k h ALA 23 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1q0k h ALA 23 CO -0.00 0.26 -0.19 0.82 0.00 0.00 0.00 179.25 180.14 1q0k h ILE 24 N 0.96 1.27 -0.78 0.00 2.04 -0.65 -1.88 117.51 118.47 1q0k h ILE 24 Ca 0.41 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 1q0k h ILE 24 Cb 0.33 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1q0k h ILE 24 CO -0.17 0.46 0.37 1.56 0.00 0.00 0.00 178.15 180.37 1q0k h GLN 25 N 0.80 1.13 -0.45 2.37 4.20 -0.13 -0.61 115.11 122.41 1q0k h GLN 25 Ca 0.11 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1q0k h GLN 25 Cb 0.76 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1q0k h GLN 25 CO 0.06 0.87 0.15 0.93 -0.67 0.00 0.00 178.83 180.18 1q0k h GLU 26 N 1.12 0.70 -0.71 1.46 5.08 -0.84 -2.55 114.58 118.84 1q0k h GLU 26 Ca 0.27 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1q0k h GLU 26 Cb 0.12 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1q0k h GLU 26 CO -0.03 0.66 0.28 0.87 -1.00 0.00 0.00 179.01 179.79 1q0k h LYS 27 N 0.59 1.04 0.00 2.33 1.57 -0.88 -2.07 116.57 119.15 1q0k h LYS 27 Ca 0.15 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1q0k h LYS 27 Cb 0.24 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1q0k h LYS 27 CO -0.01 0.85 -0.02 0.52 -0.57 0.00 0.00 179.45 180.22 1q0k h MET 28 N 1.02 0.00 0.00 3.15 2.86 -0.84 -0.36 114.93 120.76 1q0k h MET 28 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1q0k h MET 28 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1q0k h MET 28 CO -0.02 0.02 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1q0k h ALA 29 N 1.98 1.00 0.00 6.32 0.00 -0.97 -3.36 119.26 124.23 1q0k h ALA 29 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1q0k h ALA 29 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1q0k h ALA 29 CO 0.00 0.00 -1.56 0.00 0.00 0.00 0.00 179.25 177.69 1q0k n ALA 30 N -2.04 1.79 -2.59 0.00 0.00 -0.63 -4.93 120.51 112.12 1q0k n ALA 30 Ca 0.03 -0.49 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 1q0k n ALA 30 Cb 0.43 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 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 -4.40 6.23 0.00 0.00 3.84 -0.24 -4.92 114.94 115.45 1q0k s ASN 31 Ca -0.08 -0.70 0.20 0.00 0.21 0.00 0.00 52.86 52.49 1q0k s ASN 31 Cb 0.03 -2.26 0.56 0.00 -0.55 0.00 0.00 41.25 39.03 1q0k s ASN 31 CO 0.29 -0.72 1.47 -0.90 -2.79 0.00 0.00 177.10 174.45 1q0k n ASP 32 N 5.90 3.42 -4.74 -4.21 5.68 -1.26 -4.70 116.55 116.63 1q0k n ASP 32 Ca -0.06 -1.99 -0.42 0.00 -0.50 0.00 0.00 54.79 51.82 1q0k n ASP 32 Cb 0.47 -0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 40.02 1q0k n ASP 32 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1q0k s ASP 33 N -1.06 6.41 0.13 -1.12 2.15 -1.26 -4.88 116.67 117.05 1q0k s ASP 33 Ca 0.43 2.89 -0.21 0.00 0.43 0.00 0.00 52.55 56.09 1q0k s ASP 33 Cb 0.22 -2.62 -0.01 0.00 -0.30 0.00 0.00 42.92 40.21 1q0k s ASP 33 CO 0.30 -0.90 1.68 0.25 -0.17 0.00 0.00 175.17 176.32 1q0k h LEU 34 N 5.35 -0.40 -1.28 -1.34 5.85 -1.99 -0.37 115.31 121.12 1q0k h LEU 34 Ca -0.46 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1q0k h LEU 34 Cb 1.22 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1q0k h LEU 34 CO 0.83 -0.16 -0.17 0.45 -0.34 0.00 0.00 178.44 179.05 1q0k h HIS 35 N -0.13 0.30 -0.35 1.25 3.86 -1.99 -0.77 115.15 117.31 1q0k h HIS 35 Ca 0.10 -0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.13 1q0k h HIS 35 Cb 0.28 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1q0k h HIS 35 CO -0.26 0.45 -0.31 0.35 0.86 0.00 0.00 177.93 179.01 1q0k h PHE 36 N 0.26 0.99 -0.58 2.45 3.57 -1.83 -1.69 116.94 120.12 1q0k h PHE 36 Ca 0.05 -0.29 0.02 0.00 3.53 0.00 0.00 57.97 61.28 1q0k h PHE 36 Cb 0.46 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1q0k h PHE 36 CO 0.01 1.08 0.37 1.96 -2.23 0.00 0.00 178.31 179.50 1q0k h GLN 37 N 0.63 0.72 0.22 1.11 1.08 -0.41 0.43 115.11 118.88 1q0k h GLN 37 Ca 0.06 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1q0k h GLN 37 Cb 0.90 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1q0k h GLN 37 CO 0.08 0.48 -0.10 0.82 -0.95 0.00 0.00 178.83 179.15 1q0k h ILE 38 N 0.74 0.81 -0.63 2.54 2.04 -1.07 -0.70 117.51 121.24 1q0k h ILE 38 Ca 0.22 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1q0k h ILE 38 Cb -0.04 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1q0k h ILE 38 CO -0.07 0.02 0.33 0.03 0.00 0.00 0.00 178.15 178.46 1q0k h ARG 39 N -0.34 0.89 -0.48 2.37 3.08 -0.99 -1.88 114.38 117.03 1q0k h ARG 39 Ca -0.03 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1q0k h ARG 39 Cb 0.26 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1q0k h ARG 39 CO 0.05 0.69 0.24 0.00 -1.07 0.00 0.00 179.97 179.88 1q0k h ALA 40 N 1.15 0.62 -0.01 0.04 0.00 -0.05 -1.11 119.26 119.91 1q0k h ALA 40 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1q0k h ALA 40 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1q0k h ALA 40 CO -0.03 0.17 0.01 1.15 0.00 0.00 0.00 179.25 180.55 1q0k h THR 41 N 0.64 1.00 -0.39 0.00 2.02 -0.89 -0.00 112.91 115.28 1q0k h THR 41 Ca 0.17 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.37 1q0k h THR 41 Cb 0.10 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1q0k h THR 41 CO -0.02 0.00 0.20 0.58 0.37 0.00 0.00 175.52 176.65 1q0k h VAL 42 N 0.01 0.98 -0.53 3.16 2.07 -1.21 -1.86 116.25 118.88 1q0k h VAL 42 Ca 0.00 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 1q0k h VAL 42 Cb -0.00 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1q0k h VAL 42 CO -0.00 0.07 -0.09 0.40 0.02 0.00 0.00 177.57 177.97 1q0k h ILE 43 N 0.40 1.27 -0.90 4.57 2.04 -1.04 -2.61 117.51 121.23 1q0k h ILE 43 Ca 0.17 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1q0k h ILE 43 Cb 0.07 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1q0k h ILE 43 CO -0.12 0.44 0.52 0.50 0.00 0.00 0.00 178.15 179.49 1q0k h LYS 44 N 0.87 1.25 -0.36 2.37 3.64 -0.82 -1.09 116.57 122.42 1q0k h LYS 44 Ca 0.14 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1q0k h LYS 44 Cb 0.65 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1q0k h LYS 44 CO 0.04 0.90 0.16 1.49 -2.27 0.00 0.00 179.45 179.77 1q0k h GLU 45 N 1.26 0.32 -0.42 1.90 4.57 -1.14 -0.88 114.58 120.18 1q0k h GLU 45 Ca 0.32 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 1q0k h GLU 45 Cb -0.01 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1q0k h GLU 45 CO -0.06 0.21 0.06 1.96 -1.18 0.00 0.00 179.01 180.01 1q0k h GLN 46 N 0.33 0.70 -0.57 1.92 4.20 -1.07 -1.52 115.11 119.11 1q0k h GLN 46 Ca 0.16 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1q0k h GLN 46 Cb 0.09 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1q0k h GLN 46 CO -0.13 0.74 0.08 0.00 -0.67 0.00 0.00 178.83 178.85 1q0k h ARG 47 N 0.55 0.95 -0.60 1.46 2.47 -1.00 -1.14 114.38 117.08 1q0k h ARG 47 Ca 0.13 -0.26 -0.08 0.00 -1.26 0.00 0.00 59.98 58.51 1q0k h ARG 47 Cb 0.38 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1q0k h ARG 47 CO 0.01 0.91 0.07 0.00 0.56 0.00 0.00 179.97 181.52 1q0k h ALA 48 N 1.00 1.00 -0.63 0.04 0.00 -1.10 -1.24 119.26 118.33 1q0k h ALA 48 Ca 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1q0k h ALA 48 Cb 0.43 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1q0k h ALA 48 CO 0.01 0.63 0.22 1.49 0.00 0.00 0.00 179.25 181.60 1q0k h GLU 49 N 0.92 0.97 -0.66 0.00 4.57 -0.97 -0.90 114.58 118.50 1q0k h GLU 49 Ca 0.18 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 1q0k h GLU 49 Cb 0.43 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 1q0k h GLU 49 CO 0.01 0.84 0.19 -0.07 -1.18 0.00 0.00 179.01 178.80 1q0k h LEU 50 N 0.90 0.98 -0.64 1.64 3.38 -0.89 -1.35 115.31 119.32 1q0k h LEU 50 Ca 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1q0k h LEU 50 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1q0k h LEU 50 CO -0.01 0.94 0.31 0.00 0.09 0.00 0.00 178.44 179.77 1q0k h ALA 51 N 1.08 0.83 -0.68 1.53 0.00 -0.85 -1.14 119.26 120.02 1q0k h ALA 51 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1q0k h ALA 51 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1q0k h ALA 51 CO -0.00 0.38 0.29 0.87 0.00 0.00 0.00 179.25 180.79 1q0k h LYS 52 N 0.88 0.99 -0.43 0.00 1.57 -0.84 -1.98 116.57 116.75 1q0k h LYS 52 Ca 0.22 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1q0k h LYS 52 Cb 0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1q0k h LYS 52 CO -0.03 0.79 0.16 1.25 -0.57 0.00 0.00 179.45 181.05 1q0k h HIS 53 N 0.97 0.67 -0.73 -1.35 2.76 -0.78 0.64 115.15 117.34 1q0k h HIS 53 Ca 0.23 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 1q0k h HIS 53 Cb 0.15 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1q0k h HIS 53 CO 0.01 0.59 0.29 0.45 -1.30 0.00 0.00 177.93 177.98 1q0k h HIS 54 N 0.56 1.09 -0.16 5.26 3.86 -0.81 -1.00 115.15 123.94 1q0k h HIS 54 Ca 0.14 -0.07 -0.17 0.00 -1.16 0.00 0.00 60.37 59.11 1q0k h HIS 54 Cb 0.21 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1q0k h HIS 54 CO 0.00 0.83 -0.60 -0.07 0.86 0.00 0.00 177.93 178.95 1q0k h LEU 55 N 1.06 0.62 -0.78 2.43 3.38 -1.14 -2.19 115.31 118.68 1q0k h LEU 55 Ca 0.25 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1q0k h LEU 55 Cb 0.20 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1q0k h LEU 55 CO -0.02 1.08 0.40 0.44 0.09 0.00 0.00 178.44 180.43 1q0k h ASP 56 N 0.41 1.00 -0.39 -0.43 3.32 -0.37 -0.85 116.42 119.12 1q0k h ASP 56 Ca -0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1q0k h ASP 56 Cb 1.16 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1q0k h ASP 56 CO 0.11 0.84 0.18 0.58 -1.72 0.00 0.00 179.24 179.24 1q0k h VAL 57 N 1.10 1.17 -0.43 -1.35 2.07 -1.10 0.11 116.25 117.82 1q0k h VAL 57 Ca 0.27 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1q0k h VAL 57 Cb 0.08 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1q0k h VAL 57 CO -0.04 0.19 0.22 -0.07 0.02 0.00 0.00 177.57 177.89 1q0k h LEU 58 N 0.49 0.33 -0.44 2.57 3.38 -0.96 0.22 115.31 120.90 1q0k h LEU 58 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1q0k h LEU 58 Cb 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1q0k h LEU 58 CO -0.02 0.24 0.18 -0.25 0.09 0.00 0.00 178.44 178.69 1q0k h TRP 59 N 0.45 0.67 0.12 1.13 7.01 -0.80 -0.88 115.95 123.65 1q0k h TRP 59 Ca 0.18 -0.05 -0.32 0.00 2.11 0.00 0.00 58.89 60.81 1q0k h TRP 59 Cb 0.07 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1q0k h TRP 59 CO -0.09 0.57 -1.66 0.66 -2.79 0.00 0.00 178.44 175.13 1q0k h SER 60 N 0.57 0.40 0.00 2.65 4.64 -0.61 -3.39 113.55 117.82 1q0k h SER 60 Ca 0.15 -0.63 -0.42 0.00 -0.47 0.00 0.00 61.79 60.42 1q0k h SER 60 Cb 0.18 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.07 1q0k h SER 60 CO -0.01 1.53 -2.50 0.47 -0.87 0.00 0.00 176.83 175.46 1q0k n ASP 61 N -3.45 1.97 -0.02 4.97 9.92 0.76 -4.81 116.55 125.90 1q0k n ASP 61 Ca -0.20 0.08 -0.01 0.00 -0.53 0.00 0.00 54.79 54.12 1q0k n ASP 61 Cb 1.05 -0.60 -0.00 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 -0.44 -0.06 -3.64 1.24 3.20 -1.30 -3.46 116.97 112.52 1q0k h TYR 62 Ca -0.63 -0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.71 1q0k h TYR 62 Cb 1.78 0.02 0.09 0.00 1.54 0.00 0.00 36.73 40.15 1q0k h TYR 62 CO -0.02 -0.04 0.80 -0.06 -1.64 0.00 0.00 178.16 177.20 1q0k s PHE 63 N -1.71 2.76 0.44 -3.82 0.08 -0.40 -5.01 117.98 110.32 1q0k s PHE 63 Ca -0.01 1.04 0.07 0.00 0.12 0.00 0.00 56.93 58.15 1q0k s PHE 63 Cb 0.00 -3.97 -0.03 0.00 -0.57 0.00 0.00 43.02 38.45 1q0k s PHE 63 CO 0.03 -3.03 0.23 0.15 -0.10 0.00 0.00 175.22 172.50 1q0k s LYS 64 N -1.25 2.27 0.26 0.44 -0.14 -1.26 -4.79 119.74 115.27 1q0k s LYS 64 Ca 0.57 -1.86 -0.02 0.00 -1.36 0.00 0.00 55.97 53.30 1q0k s LYS 64 Cb -0.45 -2.03 0.52 0.00 -1.68 0.00 0.00 37.83 34.19 1q0k s LYS 64 CO 0.54 -0.22 1.74 -1.35 -0.76 0.00 0.00 175.35 175.30 1q0k h PRO 65 N 1.26 0.52 -0.43 -1.68 0.11 -1.99 -1.41 132.00 128.38 1q0k h PRO 65 Ca -0.42 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1q0k h PRO 65 Cb 1.27 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1q0k h PRO 65 CO 0.67 0.34 0.20 -1.35 -0.21 0.00 0.00 178.00 177.65 1q0k h PRO 66 N 0.54 0.60 -0.38 1.05 0.11 -1.99 -2.23 132.00 129.70 1q0k h PRO 66 Ca 0.45 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.46 1q0k h PRO 66 Cb 0.68 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1q0k h PRO 66 CO -0.39 0.47 0.11 0.45 -0.21 0.00 0.00 178.00 178.43 1q0k h HIS 67 N 0.60 0.62 0.00 0.65 3.86 -1.66 -0.71 115.15 118.51 1q0k h HIS 67 Ca 0.15 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1q0k h HIS 67 Cb 0.08 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1q0k h HIS 67 CO 0.00 0.60 -0.22 0.74 0.86 0.00 0.00 177.93 179.92 1q0k h PHE 68 N 0.46 0.00 -0.03 2.45 0.04 -1.19 0.14 116.94 118.81 1q0k h PHE 68 Ca 0.12 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 1q0k h PHE 68 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1q0k h PHE 68 CO 0.01 0.22 -0.18 0.93 -0.60 0.00 0.00 178.31 178.69 1q0k h GLU 69 N 0.00 0.19 -0.45 1.51 4.39 -1.01 -3.18 114.58 116.02 1q0k h GLU 69 Ca -0.00 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1q0k h GLU 69 Cb 0.42 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1q0k h GLU 69 CO 0.03 0.81 0.21 0.77 -1.16 0.00 0.00 179.01 179.68 1q0k h SER 70 N -0.39 0.58 -3.72 1.42 0.02 -0.83 -3.31 113.55 107.32 1q0k h SER 70 Ca -0.01 -0.13 -0.73 0.00 -0.84 0.00 0.00 61.79 60.08 1q0k h SER 70 Cb 0.85 -0.15 -0.33 0.00 0.14 0.00 0.00 62.40 62.91 1q0k h SER 70 CO 0.04 0.55 -0.08 -0.31 -1.14 0.00 0.00 176.83 175.89 1q0k s TYR 71 N -5.71 3.76 0.62 3.45 1.51 0.46 -4.92 117.35 116.52 1q0k s TYR 71 Ca -0.13 -2.71 0.30 0.00 -1.01 0.00 0.00 57.07 53.52 1q0k s TYR 71 Cb 0.11 -3.40 1.64 0.00 -0.11 0.00 0.00 41.96 40.19 1q0k s TYR 71 CO 0.75 -0.84 1.99 -1.00 -1.11 0.00 0.00 175.55 175.35 1q0k h PRO 72 N 6.71 0.00 -0.07 -1.71 0.13 -1.65 -1.22 132.00 134.19 1q0k h PRO 72 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1q0k h PRO 72 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1q0k h PRO 72 CO 0.81 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.97 1q0k n GLU 73 N -3.44 2.30 -0.35 0.86 -0.58 -1.26 -4.52 120.64 113.65 1q0k n GLU 73 Ca 0.02 -1.90 -0.01 0.00 -0.42 0.00 0.00 57.16 54.85 1q0k n GLU 73 Cb 0.44 -1.47 0.12 0.00 -0.57 0.00 0.00 31.44 29.96 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 4.50 1.03 -0.33 -4.62 5.85 -1.53 -0.16 115.31 120.04 1q0k h LEU 74 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1q0k h LEU 74 Cb 0.96 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1q0k h LEU 74 CO 0.00 0.71 0.20 0.45 -0.34 0.00 0.00 178.44 179.46 1q0k h HIS 75 N 1.20 0.38 -0.62 1.25 3.86 -1.79 -1.75 115.15 117.67 1q0k h HIS 75 Ca 0.37 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.50 1q0k h HIS 75 Cb -0.03 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1q0k h HIS 75 CO -0.01 0.22 0.05 1.15 0.86 0.00 0.00 177.93 180.20 1q0k h THR 76 N 0.41 1.26 -0.29 2.45 2.02 -1.76 -1.63 112.91 115.37 1q0k h THR 76 Ca 0.13 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1q0k h THR 76 Cb -0.01 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1q0k h THR 76 CO -0.05 0.40 0.18 0.25 0.37 0.00 0.00 175.52 176.67 1q0k h LEU 77 N 0.98 0.35 -0.62 2.58 5.85 -0.80 0.45 115.31 124.09 1q0k h LEU 77 Ca 0.18 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 1q0k h LEU 77 Cb 0.51 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1q0k h LEU 77 CO 0.02 0.28 -0.36 0.58 -0.34 0.00 0.00 178.44 178.62 1q0k h VAL 78 N 0.38 1.29 -0.64 1.05 2.07 -1.26 -1.23 116.25 117.92 1q0k h VAL 78 Ca 0.11 -1.52 -0.08 0.00 0.82 0.00 0.00 66.70 66.03 1q0k h VAL 78 Cb -0.01 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1q0k h VAL 78 CO -0.02 0.49 0.08 -1.13 0.02 0.00 0.00 177.57 177.01 1q0k h ASN 79 N 0.57 1.01 0.38 0.57 -0.73 -0.99 -1.41 115.58 114.98 1q0k h ASN 79 Ca 0.06 -0.25 -0.15 0.00 1.87 0.00 0.00 56.30 57.83 1q0k h ASN 79 Cb 0.88 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 1q0k h ASN 79 CO 0.08 1.02 -0.61 -0.33 -0.37 0.00 0.00 177.43 177.22 1q0k h GLU 80 N 0.99 0.23 0.06 6.67 5.08 -0.79 -1.79 114.58 125.03 1q0k h GLU 80 Ca 0.19 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1q0k h GLU 80 Cb 0.45 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1q0k h GLU 80 CO 0.02 0.77 -0.03 0.00 -1.00 0.00 0.00 179.01 178.77 1q0k h ALA 81 N 1.19 -0.08 -0.23 3.43 0.00 -0.76 0.24 119.26 123.06 1q0k h ALA 81 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1q0k h ALA 81 Cb 1.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1q0k h ALA 81 CO 0.09 -0.45 -0.13 -0.39 0.00 0.00 0.00 179.25 178.37 1q0k h VAL 82 N -0.26 1.21 -0.26 0.00 -1.51 -1.24 -1.42 116.25 112.76 1q0k h VAL 82 Ca -0.01 -0.92 -0.12 0.00 -1.23 0.00 0.00 66.70 64.43 1q0k h VAL 82 Cb 0.23 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 1q0k h VAL 82 CO 0.01 0.29 -0.33 0.11 -1.23 0.00 0.00 177.57 176.42 1q0k h LYS 83 N 0.35 0.57 -0.50 5.19 1.57 -1.05 -2.14 116.57 120.55 1q0k h LYS 83 Ca 0.07 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1q0k h LYS 83 Cb 0.44 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1q0k h LYS 83 CO 0.03 0.83 0.21 0.00 -0.57 0.00 0.00 179.45 179.95 1q0k h ALA 84 N 1.15 1.43 -0.21 3.86 0.00 0.49 -0.64 119.26 125.35 1q0k h ALA 84 Ca 0.05 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1q0k h ALA 84 Cb 0.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1q0k h ALA 84 CO 0.07 0.44 -0.44 -0.07 0.00 0.00 0.00 179.25 179.24 1q0k h LEU 85 N 0.71 0.55 -0.57 0.00 3.38 -0.90 -1.00 115.31 117.49 1q0k h LEU 85 Ca 0.17 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1q0k h LEU 85 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1q0k h LEU 85 CO -0.02 0.92 0.08 0.28 0.09 0.00 0.00 178.44 179.79 1q0k h SER 86 N 0.42 0.91 -0.91 -0.43 0.02 -0.74 -1.17 113.55 111.66 1q0k h SER 86 Ca 0.03 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1q0k h SER 86 Cb 0.94 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1q0k h SER 86 CO 0.08 0.95 0.60 0.00 -1.14 0.00 0.00 176.83 177.32 1q0k h ALA 87 N 1.00 1.16 -0.74 3.77 0.00 -0.85 -1.96 119.26 121.64 1q0k h ALA 87 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1q0k h ALA 87 Cb 0.44 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1q0k h ALA 87 CO 0.01 0.54 0.34 0.00 0.00 0.00 0.00 179.25 180.14 1q0k h ALA 88 N 1.34 1.22 -0.94 0.00 0.00 -0.63 -2.45 119.26 117.79 1q0k h ALA 88 Ca 0.34 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1q0k h ALA 88 Cb -0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.33 1q0k h ALA 88 CO -0.08 0.59 0.62 0.87 0.00 0.00 0.00 179.25 181.26 1q0k h LYS 89 N 1.05 1.23 -0.28 0.00 1.57 -0.47 -2.44 116.57 117.23 1q0k h LYS 89 Ca 0.25 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1q0k h LYS 89 Cb 0.12 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1q0k h LYS 89 CO -0.03 0.81 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 1q0k n ALA 90 N -2.36 2.48 -2.70 3.86 0.00 -0.94 -4.86 120.51 116.00 1q0k n ALA 90 Ca 0.11 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 1q0k n ALA 90 Cb 0.02 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.96 0.40 0.00 0.00 0.15 -0.92 -5.01 113.70 107.36 1q0k s SER 91 Ca 0.17 -0.66 0.19 0.00 0.70 0.00 0.00 55.95 56.34 1q0k s SER 91 Cb 0.09 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 1q0k s SER 91 CO 0.11 -0.38 0.92 0.35 1.20 0.00 0.00 173.24 175.44 1q0k n THR 92 N 1.12 0.00 -2.29 6.45 -2.24 -1.26 -4.87 114.28 111.19 1q0k n THR 92 Ca -0.21 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 1q0k n THR 92 Cb 0.57 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.96 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 -2.20 6.60 0.62 3.42 -1.08 -1.26 -4.63 116.67 118.13 1q0k s ASP 93 Ca 0.14 1.47 0.31 0.00 -0.52 0.00 0.00 52.55 53.95 1q0k s ASP 93 Cb 0.15 -2.54 1.68 0.00 -1.46 0.00 0.00 42.92 40.75 1q0k s ASP 93 CO 0.50 -1.10 2.03 -0.65 0.52 0.00 0.00 175.17 176.48 1q0k h PRO 94 N 9.69 0.00 -0.36 4.34 0.11 -1.89 -0.81 132.00 143.08 1q0k h PRO 94 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 1q0k h PRO 94 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1q0k h PRO 94 CO 1.01 0.00 0.04 0.00 -0.21 0.00 0.00 178.00 178.84 1q0k h ALA 95 N 1.59 1.39 -0.39 -0.75 0.00 -1.97 -0.89 119.26 118.25 1q0k h ALA 95 Ca 0.08 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1q0k h ALA 95 Cb 0.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1q0k h ALA 95 CO -0.00 0.43 -0.21 1.79 0.00 0.00 0.00 179.25 181.26 1q0k h THR 96 N 0.53 1.27 -0.60 0.00 1.35 -1.54 0.01 112.91 113.93 1q0k h THR 96 Ca 0.12 -1.31 -0.09 0.00 -0.55 0.00 0.00 66.41 64.59 1q0k h THR 96 Cb 0.29 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1q0k h THR 96 CO 0.00 0.44 0.04 1.23 -0.25 0.00 0.00 175.52 176.98 1q0k h GLY 97 N 0.97 1.11 1.25 5.82 0.00 -1.46 -2.64 103.07 108.11 1q0k h GLY 97 Ca 0.10 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 1q0k h GLY 97 CO 0.05 0.73 0.13 -1.61 0.00 0.00 0.00 176.54 175.84 1q0k h GLN 98 N 0.92 0.93 -0.71 4.80 5.75 -0.76 -2.25 115.11 123.79 1q0k h GLN 98 Ca 0.17 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1q0k h GLN 98 Cb 0.51 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 1q0k h GLN 98 CO 0.02 0.84 0.47 -0.22 -2.65 0.00 0.00 178.83 177.28 1q0k h LYS 99 N 0.89 0.92 -0.75 1.69 3.64 -0.66 -0.01 116.57 122.29 1q0k h LYS 99 Ca 0.19 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1q0k h LYS 99 Cb 0.33 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1q0k h LYS 99 CO 0.00 0.61 0.36 0.00 -2.27 0.00 0.00 179.45 178.15 1q0k h ALA 100 N 1.27 0.97 -0.58 5.00 0.00 -1.20 -1.87 119.26 122.85 1q0k h ALA 100 Ca 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1q0k h ALA 100 Cb -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1q0k h ALA 100 CO -0.07 0.53 0.18 -0.07 0.00 0.00 0.00 179.25 179.83 1q0k h LEU 101 N 1.06 0.81 -0.40 0.00 3.38 -0.76 -0.74 115.31 118.67 1q0k h LEU 101 Ca 0.26 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1q0k h LEU 101 Cb 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1q0k h LEU 101 CO -0.03 0.77 0.15 0.44 0.09 0.00 0.00 178.44 179.86 1q0k h ASP 102 N 0.85 0.56 -0.59 -0.43 3.32 -0.45 -0.19 116.42 119.49 1q0k h ASP 102 Ca 0.19 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1q0k h ASP 102 Cb 0.25 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1q0k h ASP 102 CO -0.01 0.58 0.22 1.88 -1.72 0.00 0.00 179.24 180.20 1q0k h TYR 103 N 0.50 0.90 -0.63 4.55 0.05 -1.03 -2.49 116.97 118.83 1q0k h TYR 103 Ca 0.13 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1q0k h TYR 103 Cb 0.21 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1q0k h TYR 103 CO 0.00 0.73 0.33 0.82 -1.05 0.00 0.00 178.16 178.99 1q0k h ILE 104 N 0.81 1.19 -0.80 -2.88 2.04 -0.83 -1.52 117.51 115.53 1q0k h ILE 104 Ca 0.19 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1q0k h ILE 104 Cb 0.22 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1q0k h ILE 104 CO -0.01 0.22 0.31 0.00 0.00 0.00 0.00 178.15 178.67 1q0k h ALA 105 N 1.49 1.04 -0.49 1.87 0.00 -0.62 0.12 119.26 122.67 1q0k h ALA 105 Ca 0.22 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1q0k h ALA 105 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1q0k h ALA 105 CO -0.03 0.67 0.03 1.96 0.00 0.00 0.00 179.25 181.88 1q0k h GLN 106 N 1.17 0.84 -0.50 0.00 4.20 -0.99 -2.15 115.11 117.68 1q0k h GLN 106 Ca 0.26 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1q0k h GLN 106 Cb 0.23 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1q0k h GLN 106 CO -0.02 0.87 0.02 0.82 -0.67 0.00 0.00 178.83 179.85 1q0k h ILE 107 N 0.70 1.24 -0.95 2.54 2.04 -0.94 -2.70 117.51 119.45 1q0k h ILE 107 Ca 0.14 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1q0k h ILE 107 Cb 0.47 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1q0k h ILE 107 CO 0.02 0.35 0.58 -0.78 0.00 0.00 0.00 178.15 178.32 1q0k h ASP 108 N 0.77 1.14 -0.12 1.72 3.58 -0.41 0.20 116.42 123.30 1q0k h ASP 108 Ca 0.15 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1q0k h ASP 108 Cb 0.43 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 1q0k h ASP 108 CO 0.02 0.87 0.03 0.50 -2.88 0.00 0.00 179.24 177.77 1q0k h LYS 109 N 1.31 0.19 -0.76 0.28 3.64 -1.09 -2.01 116.57 118.14 1q0k h LYS 109 Ca 0.34 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1q0k h LYS 109 Cb -0.06 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1q0k h LYS 109 CO -0.06 0.36 0.49 0.82 -2.27 0.00 0.00 179.45 178.78 1q0k h ILE 110 N -0.02 1.20 -0.25 2.00 2.04 -1.21 -1.57 117.51 119.70 1q0k h ILE 110 Ca 0.04 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.58 1q0k h ILE 110 Cb 0.25 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 1q0k h ILE 110 CO 0.00 0.19 -0.11 0.15 0.00 0.00 0.00 178.15 178.38 1q0k h PHE 111 N 1.03 -0.27 -0.67 1.37 3.57 -0.79 -1.25 116.94 119.93 1q0k h PHE 111 Ca 0.28 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 1q0k h PHE 111 Cb -0.10 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1q0k h PHE 111 CO -0.02 -0.17 0.13 -1.49 -2.23 0.00 0.00 178.31 174.53 1q0k h TRP 112 N -0.07 1.15 -0.91 0.41 4.06 -0.92 -1.42 115.95 118.24 1q0k h TRP 112 Ca 0.13 -0.15 0.01 0.00 2.06 0.00 0.00 58.89 60.94 1q0k h TRP 112 Cb 0.27 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 28.07 1q0k h TRP 112 CO -0.29 0.95 0.59 0.93 -3.56 0.00 0.00 178.44 177.06 1q0k h GLU 113 N 1.02 1.20 0.00 0.49 5.08 -0.86 0.44 114.58 121.97 1q0k h GLU 113 Ca 0.21 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1q0k h GLU 113 Cb 0.41 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1q0k h GLU 113 CO 0.01 0.80 -0.32 1.79 -1.00 0.00 0.00 179.01 180.29 1q0k h THR 114 N 1.24 0.92 0.11 1.13 1.35 -0.86 -2.90 112.91 113.88 1q0k h THR 114 Ca 0.33 -1.23 -0.01 0.00 -0.55 0.00 0.00 66.41 64.96 1q0k h THR 114 Cb -0.13 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1q0k h THR 114 CO -0.07 0.31 -0.05 0.11 -0.25 0.00 0.00 175.52 175.57 1q0k h LYS 115 N 0.00 -0.14 -0.95 4.72 1.79 -0.02 -3.11 116.57 118.86 1q0k h LYS 115 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1q0k h LYS 115 Cb 0.70 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1q0k h LYS 115 CO 0.04 0.31 0.00 1.63 -1.08 0.00 0.00 179.45 180.35 1q0k n LYS 116 N -4.93 0.78 0.00 3.15 5.02 -0.01 -5.10 118.16 117.07 1q0k n LYS 116 Ca -0.08 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.36 1q0k n LYS 116 Cb 0.26 -1.28 0.87 0.00 -0.02 0.00 0.00 35.03 34.86 1q0k n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88