#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 0.84 -4.38 -0.07 0.00 -0.08 -1.26 -4.91 116.55 106.69 1q0k n ASP 3 Ca 0.13 0.08 -0.08 0.00 -1.51 0.00 0.00 54.79 53.41 1q0k n ASP 3 Cb 0.54 -2.16 -0.01 0.00 2.34 0.00 0.00 41.12 41.83 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 0.05-10.39 -2.67 5.85 -2.03 -3.46 115.31 102.66 1q0k h LEU 4 Ca -0.06 0.04 -0.49 0.00 0.84 0.00 0.00 57.88 58.20 1q0k h LEU 4 Cb 0.54 0.04 0.06 0.00 0.37 0.00 0.00 40.66 41.66 1q0k h LEU 4 CO 0.09 0.06 0.28 -2.16 -0.34 0.00 0.00 178.44 176.38 1q0k s PRO 5 N -6.18 3.24 -0.01 5.25 0.04 -1.26 -5.13 135.00 130.95 1q0k s PRO 5 Ca -0.13 0.36 0.15 0.00 0.04 0.00 0.00 61.00 61.42 1q0k s PRO 5 Cb 0.11 -2.18 -0.21 0.00 0.04 0.00 0.00 34.50 32.25 1q0k s PRO 5 CO 0.70 -0.63 0.45 0.00 0.04 0.00 0.00 177.00 177.56 1q0k n GLY 7 N 1.52 0.75 3.41 0.00 0.00 -1.26 -4.98 105.19 104.64 1q0k n GLY 7 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.98 4.53 0.05 1.61 1.01 -1.26 -4.96 120.40 118.40 1q0k s VAL 8 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1q0k s VAL 8 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1q0k s VAL 8 CO 0.00 -0.01 -0.05 -0.31 0.00 0.00 0.00 175.10 174.73 1q0k s TYR 9 N 1.59 0.59 -0.30 5.22 2.02 -1.26 -1.58 117.35 123.63 1q0k s TYR 9 Ca 0.04 -0.72 -0.17 0.00 -0.37 0.00 0.00 57.07 55.84 1q0k s TYR 9 Cb -0.18 -0.37 0.18 0.00 -0.40 0.00 0.00 41.96 41.19 1q0k s TYR 9 CO 0.06 -0.19 1.17 0.34 -1.57 0.00 0.00 175.55 175.37 1q0k s ASP 10 N -2.18 -0.23 0.19 2.29 -1.08 -1.26 -5.00 116.67 109.40 1q0k s ASP 10 Ca -0.03 0.22 0.09 0.00 -0.52 0.00 0.00 52.55 52.32 1q0k s ASP 10 Cb -0.03 1.23 0.50 0.00 -1.46 0.00 0.00 42.92 43.17 1q0k s ASP 10 CO -0.03 -0.04 1.19 -2.65 0.52 0.00 0.00 175.17 174.15 1q0k n PRO 11 N 5.10 0.06 -0.02 4.34 -0.02 -1.26 -1.61 135.00 141.59 1q0k n PRO 11 Ca -0.08 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 1q0k n PRO 11 Cb 0.54 -1.87 0.47 0.00 -0.02 0.00 0.00 33.50 32.62 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 1.47 1.85 -0.29 3.55 0.00 -1.98 -0.59 119.26 123.27 1q0k h ALA 12 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1q0k h ALA 12 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1q0k h ALA 12 CO 0.00 0.08 0.12 1.96 0.00 0.00 0.00 179.25 181.41 1q0k h GLN 13 N 0.46 0.25 -0.27 0.00 4.20 -1.74 0.34 115.11 118.35 1q0k h GLN 13 Ca 0.19 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1q0k h GLN 13 Cb 0.19 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1q0k h GLN 13 CO -0.05 0.17 -0.00 0.00 -0.67 0.00 0.00 178.83 178.28 1q0k h ALA 14 N 1.17 0.37 -0.42 3.87 0.00 -1.54 -3.02 119.26 119.68 1q0k h ALA 14 Ca 0.12 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1q0k h ALA 14 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1q0k h ALA 14 CO -0.11 0.11 0.16 -0.09 0.00 0.00 0.00 179.25 179.32 1q0k h ARG 15 N 0.27 0.33 -0.93 0.00 2.43 -0.78 -1.10 114.38 114.59 1q0k h ARG 15 Ca 0.08 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1q0k h ARG 15 Cb 0.43 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1q0k h ARG 15 CO 0.01 0.22 0.61 0.82 -1.51 0.00 0.00 179.97 180.12 1q0k h ILE 16 N 0.34 1.16 -0.30 1.20 2.04 -0.92 0.14 117.51 121.17 1q0k h ILE 16 Ca 0.19 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 1q0k h ILE 16 Cb 0.16 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1q0k h ILE 16 CO -0.18 0.21 -0.33 -0.33 0.00 0.00 0.00 178.15 177.52 1q0k h GLU 17 N 1.17 0.76 -0.06 2.37 4.39 -1.33 -2.79 114.58 119.09 1q0k h GLU 17 Ca 0.37 -0.41 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1q0k h GLU 17 Cb 0.00 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1q0k h GLU 17 CO -0.12 1.03 -0.25 0.00 -1.16 0.00 0.00 179.01 178.51 1q0k h ALA 18 N 0.71 1.46 -0.28 3.43 0.00 -0.75 -1.72 119.26 122.11 1q0k h ALA 18 Ca 0.04 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1q0k h ALA 18 Cb 0.91 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1q0k h ALA 18 CO 0.08 0.39 -0.28 0.93 0.00 0.00 0.00 179.25 180.37 1q0k h GLU 19 N 0.10 0.57 -0.47 0.00 5.08 -0.62 -1.83 114.58 117.42 1q0k h GLU 19 Ca 0.02 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1q0k h GLU 19 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1q0k h GLU 19 CO 0.04 0.79 0.14 0.77 -1.00 0.00 0.00 179.01 179.74 1q0k h SER 20 N 0.49 0.69 -0.36 1.42 0.02 -1.10 -0.66 113.55 114.07 1q0k h SER 20 Ca 0.07 -0.21 0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1q0k h SER 20 Cb 0.74 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 1q0k h SER 20 CO 0.06 0.73 -0.12 0.58 -1.14 0.00 0.00 176.83 176.94 1q0k h VAL 21 N 0.63 0.59 -0.24 2.27 2.07 -0.86 0.12 116.25 120.82 1q0k h VAL 21 Ca 0.15 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1q0k h VAL 21 Cb 0.29 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1q0k h VAL 21 CO -0.00 0.00 0.03 0.50 0.02 0.00 0.00 177.57 178.12 1q0k h LYS 22 N -0.04 0.41 -0.36 1.57 3.64 -1.12 -2.07 116.57 118.59 1q0k h LYS 22 Ca 0.17 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1q0k h LYS 22 Cb 0.31 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1q0k h LYS 22 CO -0.39 0.55 0.24 0.00 -2.27 0.00 0.00 179.45 177.59 1q0k h ALA 23 N 0.84 1.92 -0.26 5.00 0.00 -0.68 -0.54 119.26 125.53 1q0k h ALA 23 Ca 0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1q0k h ALA 23 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1q0k h ALA 23 CO 0.01 0.03 -0.44 0.82 0.00 0.00 0.00 179.25 179.67 1q0k h ILE 24 N 0.34 1.30 -0.77 0.00 2.04 -0.48 -2.44 117.51 117.50 1q0k h ILE 24 Ca 0.15 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.33 1q0k h ILE 24 Cb 0.18 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1q0k h ILE 24 CO -0.03 0.52 0.30 1.56 0.00 0.00 0.00 178.15 180.50 1q0k h GLN 25 N 0.51 1.15 -0.87 2.37 4.20 -0.57 -0.49 115.11 121.41 1q0k h GLN 25 Ca 0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1q0k h GLN 25 Cb 1.04 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 1q0k h GLN 25 CO 0.10 0.94 0.51 0.93 -0.67 0.00 0.00 178.83 180.63 1q0k h GLU 26 N 1.12 1.19 -0.33 1.46 5.08 -1.06 -1.07 114.58 120.96 1q0k h GLU 26 Ca 0.26 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1q0k h GLU 26 Cb 0.22 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1q0k h GLU 26 CO -0.02 0.85 -0.33 0.87 -1.00 0.00 0.00 179.01 179.38 1q0k h LYS 27 N 1.20 0.74 0.00 2.33 1.57 -0.93 -2.82 116.57 118.66 1q0k h LYS 27 Ca 0.31 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1q0k h LYS 27 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1q0k h LYS 27 CO -0.05 0.96 -0.17 0.52 -0.57 0.00 0.00 179.45 180.14 1q0k h MET 28 N 0.62 0.00 0.00 3.15 2.86 -0.47 -2.28 114.93 118.82 1q0k h MET 28 Ca 0.07 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1q0k h MET 28 Cb 0.86 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1q0k h MET 28 CO 0.07 0.17 -0.21 0.00 1.06 0.00 0.00 176.91 178.01 1q0k h ALA 29 N 1.83 1.08 -0.07 6.32 0.00 -0.95 -3.27 119.26 124.20 1q0k h ALA 29 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1q0k h ALA 29 Cb 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1q0k h ALA 29 CO 0.02 0.26 -0.07 0.00 0.00 0.00 0.00 179.25 179.46 1q0k n ALA 30 N -2.24 2.70 -3.32 0.00 0.00 -0.87 -4.92 120.51 111.86 1q0k n ALA 30 Ca -0.00 -2.70 -0.09 0.00 0.00 0.00 0.00 53.44 50.65 1q0k n ALA 30 Cb 0.39 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.74 0.32 0.00 0.00 3.84 -1.11 -5.03 114.94 110.22 1q0k s ASN 31 Ca 0.35 -0.14 0.18 0.00 0.21 0.00 0.00 52.86 53.46 1q0k s ASN 31 Cb 0.31 1.13 0.60 0.00 -0.55 0.00 0.00 41.25 42.73 1q0k s ASN 31 CO 0.02 -0.33 1.45 0.47 -2.79 0.00 0.00 177.10 175.92 1q0k n ASP 32 N 5.36 1.86 -4.68 -4.21 9.92 -1.26 -4.70 116.55 118.85 1q0k n ASP 32 Ca -0.01 -1.82 -0.45 0.00 -0.53 0.00 0.00 54.79 51.99 1q0k n ASP 32 Cb 0.50 -0.16 -0.03 0.00 -0.64 0.00 0.00 41.12 40.79 1q0k n ASP 32 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1q0k n ASP 33 N 0.47 2.88 0.20 -2.24 2.03 -1.26 -4.85 116.55 113.78 1q0k n ASP 33 Ca 0.15 1.14 -0.15 0.00 0.52 0.00 0.00 54.79 56.45 1q0k n ASP 33 Cb 0.34 -1.44 -0.07 0.00 -0.72 0.00 0.00 41.12 39.22 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 4.41 -0.65 -1.48 -2.67 5.85 -1.99 -1.23 115.31 117.55 1q0k h LEU 34 Ca -0.45 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1q0k h LEU 34 Cb 1.27 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 1q0k h LEU 34 CO 0.77 -0.38 0.37 0.45 -0.34 0.00 0.00 178.44 179.32 1q0k h HIS 35 N -0.57 0.66 -0.37 1.25 3.86 -1.99 -0.19 115.15 117.79 1q0k h HIS 35 Ca -0.02 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.06 1q0k h HIS 35 Cb 0.50 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1q0k h HIS 35 CO -0.13 0.40 -0.34 0.35 0.86 0.00 0.00 177.93 179.07 1q0k h PHE 36 N 0.70 0.97 -0.58 2.45 3.57 -1.88 -1.36 116.94 120.81 1q0k h PHE 36 Ca 0.22 -0.27 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1q0k h PHE 36 Cb 0.02 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1q0k h PHE 36 CO -0.00 1.05 0.07 1.96 -2.23 0.00 0.00 178.31 179.15 1q0k h GLN 37 N 0.69 0.98 0.05 1.11 1.08 -0.25 0.67 115.11 119.45 1q0k h GLN 37 Ca 0.07 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1q0k h GLN 37 Cb 0.89 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1q0k h GLN 37 CO 0.08 0.94 -0.03 0.82 -0.95 0.00 0.00 178.83 179.70 1q0k h ILE 38 N 0.87 1.03 -0.45 2.54 2.04 -0.91 -0.63 117.51 122.01 1q0k h ILE 38 Ca 0.17 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1q0k h ILE 38 Cb 0.46 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1q0k h ILE 38 CO 0.02 0.07 0.27 0.03 0.00 0.00 0.00 178.15 178.53 1q0k h ARG 39 N -0.19 0.61 -0.51 2.37 3.08 -1.16 -1.29 114.38 117.28 1q0k h ARG 39 Ca -0.01 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1q0k h ARG 39 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1q0k h ARG 39 CO 0.01 0.46 0.17 0.00 -1.07 0.00 0.00 179.97 179.54 1q0k h ALA 40 N 1.12 1.34 -0.15 0.04 0.00 -0.77 -0.88 119.26 119.95 1q0k h ALA 40 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1q0k h ALA 40 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1q0k h ALA 40 CO -0.03 0.48 -0.04 1.15 0.00 0.00 0.00 179.25 180.81 1q0k h THR 41 N 0.74 1.29 -0.21 0.00 2.02 -0.77 -0.36 112.91 115.62 1q0k h THR 41 Ca 0.17 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1q0k h THR 41 Cb 0.20 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1q0k h THR 41 CO -0.01 0.30 0.12 0.58 0.37 0.00 0.00 175.52 176.88 1q0k h VAL 42 N -0.01 1.10 -0.42 3.16 2.07 -0.99 -1.61 116.25 119.56 1q0k h VAL 42 Ca 0.04 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1q0k h VAL 42 Cb 0.48 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1q0k h VAL 42 CO 0.02 0.10 -0.16 0.40 0.02 0.00 0.00 177.57 177.94 1q0k h ILE 43 N 0.25 1.26 -0.76 4.57 2.04 -1.17 -2.54 117.51 121.17 1q0k h ILE 43 Ca 0.08 -1.25 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 1q0k h ILE 43 Cb 0.05 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1q0k h ILE 43 CO -0.01 0.42 0.25 0.50 0.00 0.00 0.00 178.15 179.31 1q0k h LYS 44 N 0.70 1.16 -0.59 2.37 3.64 -0.92 -1.38 116.57 121.56 1q0k h LYS 44 Ca 0.11 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1q0k h LYS 44 Cb 0.66 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1q0k h LYS 44 CO 0.05 0.97 0.37 1.49 -2.27 0.00 0.00 179.45 180.05 1q0k h GLU 45 N 1.12 0.71 -0.42 1.90 4.57 -0.99 -1.00 114.58 120.47 1q0k h GLU 45 Ca 0.25 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.29 1q0k h GLU 45 Cb 0.28 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1q0k h GLU 45 CO -0.01 0.47 -0.12 1.96 -1.18 0.00 0.00 179.01 180.12 1q0k h GLN 46 N 0.73 0.82 -0.54 1.92 4.20 -1.06 -2.06 115.11 119.12 1q0k h GLN 46 Ca 0.23 -0.32 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 1q0k h GLN 46 Cb -0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1q0k h GLN 46 CO -0.09 0.95 -0.12 0.00 -0.67 0.00 0.00 178.83 178.90 1q0k h ARG 47 N 0.64 1.03 -0.49 1.46 2.47 -1.00 -1.59 114.38 116.91 1q0k h ARG 47 Ca 0.10 -0.39 -0.09 0.00 -1.26 0.00 0.00 59.98 58.35 1q0k h ARG 47 Cb 0.66 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1q0k h ARG 47 CO 0.05 1.08 -0.04 0.00 0.56 0.00 0.00 179.97 181.61 1q0k h ALA 48 N 0.93 1.01 -0.65 0.04 0.00 -1.17 -0.23 119.26 119.20 1q0k h ALA 48 Ca 0.14 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1q0k h ALA 48 Cb 0.69 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1q0k h ALA 48 CO 0.05 0.60 0.11 1.49 0.00 0.00 0.00 179.25 181.50 1q0k h GLU 49 N 0.77 1.07 -0.56 0.00 4.57 -1.17 -0.47 114.58 118.79 1q0k h GLU 49 Ca 0.14 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 57.95 1q0k h GLU 49 Cb 0.52 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1q0k h GLU 49 CO 0.03 0.99 0.02 -0.07 -1.18 0.00 0.00 179.01 178.80 1q0k h LEU 50 N 0.99 0.96 -0.64 1.64 3.38 -0.92 -0.95 115.31 119.76 1q0k h LEU 50 Ca 0.20 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1q0k h LEU 50 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1q0k h LEU 50 CO 0.01 1.02 0.39 0.00 0.09 0.00 0.00 178.44 179.95 1q0k h ALA 51 N 0.97 0.82 -0.57 1.53 0.00 -0.68 -1.27 119.26 120.05 1q0k h ALA 51 Ca 0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1q0k h ALA 51 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1q0k h ALA 51 CO 0.02 0.29 0.07 0.87 0.00 0.00 0.00 179.25 180.51 1q0k h LYS 52 N 0.87 0.94 0.01 0.00 1.57 -0.83 -2.36 116.57 116.75 1q0k h LYS 52 Ca 0.23 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1q0k h LYS 52 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1q0k h LYS 52 CO -0.04 0.88 -0.00 1.25 -0.57 0.00 0.00 179.45 180.97 1q0k h HIS 53 N 0.88 -0.01 -0.68 -1.35 2.76 -0.61 0.38 115.15 116.53 1q0k h HIS 53 Ca 0.18 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.39 1q0k h HIS 53 Cb 0.42 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.33 1q0k h HIS 53 CO 0.03 0.04 0.40 0.45 -1.30 0.00 0.00 177.93 177.55 1q0k h HIS 54 N -0.05 0.75 -0.62 5.26 3.86 -1.08 -0.88 115.15 122.38 1q0k h HIS 54 Ca -0.00 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1q0k h HIS 54 Cb 0.05 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1q0k h HIS 54 CO -0.06 0.40 0.06 -0.07 0.86 0.00 0.00 177.93 179.11 1q0k h LEU 55 N 0.77 1.01 -1.24 2.43 3.38 -1.21 -2.03 115.31 118.42 1q0k h LEU 55 Ca 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1q0k h LEU 55 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1q0k h LEU 55 CO -0.14 1.02 0.32 0.44 0.09 0.00 0.00 178.44 180.18 1q0k h ASP 56 N 0.97 0.76 -0.42 -0.43 3.32 -0.13 -1.62 116.42 118.86 1q0k h ASP 56 Ca 0.19 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 1q0k h ASP 56 Cb 0.47 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1q0k h ASP 56 CO 0.02 0.62 -0.21 0.58 -1.72 0.00 0.00 179.24 178.52 1q0k h VAL 57 N 0.85 1.27 -0.12 -1.35 2.07 -0.72 0.01 116.25 118.26 1q0k h VAL 57 Ca 0.22 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1q0k h VAL 57 Cb 0.04 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1q0k h VAL 57 CO -0.03 0.47 0.07 -0.07 0.02 0.00 0.00 177.57 178.02 1q0k h LEU 58 N 0.80 0.16 -0.67 2.57 3.38 -0.91 0.34 115.31 120.97 1q0k h LEU 58 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1q0k h LEU 58 Cb 0.77 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1q0k h LEU 58 CO 0.06 0.20 0.38 -0.25 0.09 0.00 0.00 178.44 178.92 1q0k h TRP 59 N 0.10 0.91 0.16 1.13 7.01 -1.17 0.03 115.95 124.13 1q0k h TRP 59 Ca 0.04 -0.01 -0.35 0.00 2.11 0.00 0.00 58.89 60.68 1q0k h TRP 59 Cb 0.07 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 1q0k h TRP 59 CO -0.04 0.63 -1.82 0.66 -2.79 0.00 0.00 178.44 175.08 1q0k h SER 60 N 0.92 0.53 0.02 2.65 4.64 -0.88 -3.39 113.55 118.04 1q0k h SER 60 Ca 0.24 -0.90 -0.40 0.00 -0.47 0.00 0.00 61.79 60.26 1q0k h SER 60 Cb 0.01 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 61.87 1q0k h SER 60 CO -0.04 1.78 -2.33 0.47 -0.87 0.00 0.00 176.83 175.84 1q0k n ASP 61 N -3.54 1.99 -0.06 4.97 9.92 0.12 -4.80 116.55 125.15 1q0k n ASP 61 Ca -0.26 0.10 -0.04 0.00 -0.53 0.00 0.00 54.79 54.06 1q0k n ASP 61 Cb 1.07 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.87 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 -0.37 0.00 -3.35 1.24 3.20 -1.21 -3.46 116.97 113.02 1q0k h TYR 62 Ca -0.57 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 60.77 1q0k h TYR 62 Cb 1.79 0.00 0.05 0.00 1.54 0.00 0.00 36.73 40.10 1q0k h TYR 62 CO 0.01 0.26 0.72 -0.06 -1.64 0.00 0.00 178.16 177.45 1q0k s PHE 63 N -1.77 3.12 0.44 -3.82 0.08 -0.09 -5.02 117.98 110.91 1q0k s PHE 63 Ca -0.06 1.09 0.06 0.00 0.12 0.00 0.00 56.93 58.13 1q0k s PHE 63 Cb -0.00 -3.74 -0.05 0.00 -0.57 0.00 0.00 43.02 38.66 1q0k s PHE 63 CO 0.18 -2.38 0.07 0.15 -0.10 0.00 0.00 175.22 173.14 1q0k s LYS 64 N -0.18 2.09 0.28 0.44 -0.14 -1.26 -4.76 119.74 116.20 1q0k s LYS 64 Ca 0.59 -2.12 0.01 0.00 -1.36 0.00 0.00 55.97 53.09 1q0k s LYS 64 Cb -0.40 -1.71 0.64 0.00 -1.68 0.00 0.00 37.83 34.68 1q0k s LYS 64 CO 0.41 -0.17 1.70 -1.35 -0.76 0.00 0.00 175.35 175.17 1q0k h PRO 65 N 1.54 0.37 -0.55 -1.68 0.11 -2.00 -0.22 132.00 129.57 1q0k h PRO 65 Ca -0.43 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.74 1q0k h PRO 65 Cb 1.26 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1q0k h PRO 65 CO 0.76 0.24 0.37 -1.35 -0.21 0.00 0.00 178.00 177.81 1q0k h PRO 66 N 0.38 0.39 -0.07 1.05 0.11 -1.99 -1.47 132.00 130.39 1q0k h PRO 66 Ca 0.51 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.54 1q0k h PRO 66 Cb 0.93 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1q0k h PRO 66 CO -0.51 0.26 -0.20 0.45 -0.21 0.00 0.00 178.00 177.79 1q0k h HIS 67 N 0.40 0.34 0.00 0.65 3.86 -1.44 -1.42 115.15 117.53 1q0k h HIS 67 Ca 0.25 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 1q0k h HIS 67 Cb 0.47 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 1q0k h HIS 67 CO -0.00 0.81 -0.10 0.74 0.86 0.00 0.00 177.93 180.24 1q0k h PHE 68 N -0.23 0.00 -0.03 2.45 0.04 -1.15 0.17 116.94 118.19 1q0k h PHE 68 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1q0k h PHE 68 Cb 0.81 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.96 1q0k h PHE 68 CO 0.12 0.10 -0.28 1.49 -0.60 0.00 0.00 178.31 179.14 1q0k h GLU 69 N 0.00 0.25 0.00 1.51 4.57 -1.15 -2.94 114.58 116.82 1q0k h GLU 69 Ca -0.00 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 57.87 1q0k h GLU 69 Cb 0.25 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1q0k h GLU 69 CO 0.01 0.90 -0.40 0.77 -1.18 0.00 0.00 179.01 179.11 1q0k h SER 70 N -0.32 0.00 -2.69 1.04 0.02 -0.67 -3.35 113.55 107.58 1q0k h SER 70 Ca -0.03 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.32 1q0k h SER 70 Cb 0.97 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.10 1q0k h SER 70 CO 0.06 0.40 -0.72 -1.22 -1.14 0.00 0.00 176.83 174.21 1q0k n TYR 71 N -3.80 2.01 0.18 3.45 4.01 0.56 -4.96 117.16 118.61 1q0k n TYR 71 Ca -0.01 -3.98 0.09 0.00 -0.16 0.00 0.00 57.90 53.84 1q0k n TYR 71 Cb 0.47 -0.37 0.50 0.00 -0.31 0.00 0.00 39.34 39.63 1q0k n TYR 71 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1q0k h PRO 72 N 5.16 0.00 -0.02 -0.72 0.13 -1.66 0.13 132.00 135.01 1q0k h PRO 72 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1q0k h PRO 72 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1q0k h PRO 72 CO 0.63 0.00 -0.13 -0.85 -0.23 0.00 0.00 178.00 177.42 1q0k n GLU 73 N -2.23 1.79 -0.07 0.86 0.00 -1.26 -4.52 120.64 115.21 1q0k n GLU 73 Ca -0.01 -1.37 -0.09 0.00 0.00 0.00 0.00 57.16 55.68 1q0k n GLU 73 Cb 0.22 -1.47 -0.02 0.00 0.00 0.00 0.00 31.44 30.17 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 3.35 0.31 -0.23 -1.84 5.85 -1.29 -0.65 115.31 120.81 1q0k h LEU 74 Ca 0.00 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1q0k h LEU 74 Cb 0.79 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 1q0k h LEU 74 CO 0.00 0.24 -0.16 0.45 -0.34 0.00 0.00 178.44 178.62 1q0k h HIS 75 N 0.36 -0.41 -0.78 1.25 3.86 -1.80 0.15 115.15 117.78 1q0k h HIS 75 Ca 0.10 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1q0k h HIS 75 Cb -0.03 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 1q0k h HIS 75 CO -0.06 -0.24 0.40 1.15 0.86 0.00 0.00 177.93 180.05 1q0k h THR 76 N -0.16 1.24 -0.17 2.45 2.02 -1.83 -0.12 112.91 116.34 1q0k h THR 76 Ca 0.13 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1q0k h THR 76 Cb 0.35 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1q0k h THR 76 CO -0.32 0.28 0.10 0.25 0.37 0.00 0.00 175.52 176.19 1q0k h LEU 77 N 1.09 0.21 -0.45 2.58 5.85 -0.43 0.35 115.31 124.52 1q0k h LEU 77 Ca 0.27 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1q0k h LEU 77 Cb 0.08 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1q0k h LEU 77 CO -0.04 0.22 -0.06 0.58 -0.34 0.00 0.00 178.44 178.80 1q0k h VAL 78 N 0.19 1.27 -0.73 1.05 2.07 -0.83 -1.22 116.25 118.05 1q0k h VAL 78 Ca 0.06 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1q0k h VAL 78 Cb 0.05 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1q0k h VAL 78 CO -0.01 0.39 0.46 -1.13 0.02 0.00 0.00 177.57 177.30 1q0k h ASN 79 N 0.68 0.87 0.28 0.57 -0.73 -0.73 -1.59 115.58 114.92 1q0k h ASN 79 Ca 0.12 -0.05 -0.09 0.00 1.87 0.00 0.00 56.30 58.15 1q0k h ASN 79 Cb 0.58 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 1q0k h ASN 79 CO 0.03 0.66 -0.37 -0.33 -0.37 0.00 0.00 177.43 177.06 1q0k h GLU 80 N 1.00 0.13 -0.26 6.67 5.08 -0.12 -1.58 114.58 125.49 1q0k h GLU 80 Ca 0.26 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1q0k h GLU 80 Cb -0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1q0k h GLU 80 CO -0.05 0.48 -0.04 0.00 -1.00 0.00 0.00 179.01 178.41 1q0k h ALA 81 N 1.52 0.36 -0.29 3.43 0.00 -0.42 -0.43 119.26 123.43 1q0k h ALA 81 Ca 0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1q0k h ALA 81 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1q0k h ALA 81 CO 0.05 0.14 -0.32 -0.39 0.00 0.00 0.00 179.25 178.73 1q0k h VAL 82 N 0.25 1.28 -0.02 0.00 -1.51 -1.15 -1.78 116.25 113.32 1q0k h VAL 82 Ca 0.07 -1.44 -0.08 0.00 -1.23 0.00 0.00 66.70 64.02 1q0k h VAL 82 Cb 0.49 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1q0k h VAL 82 CO 0.02 0.46 -0.37 0.11 -1.23 0.00 0.00 177.57 176.56 1q0k h LYS 83 N 0.52 0.05 -0.13 5.19 1.57 -1.20 -1.33 116.57 121.23 1q0k h LYS 83 Ca 0.06 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1q0k h LYS 83 Cb 0.81 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1q0k h LYS 83 CO 0.07 0.41 -0.44 0.00 -0.57 0.00 0.00 179.45 178.92 1q0k h ALA 84 N 1.59 1.01 -0.09 3.86 0.00 -0.55 -1.40 119.26 123.69 1q0k h ALA 84 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1q0k h ALA 84 Cb 0.67 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1q0k h ALA 84 CO 0.05 0.63 -0.72 -0.07 0.00 0.00 0.00 179.25 179.14 1q0k h LEU 85 N 0.26 0.50 -1.13 0.00 3.38 -0.74 -1.63 115.31 115.96 1q0k h LEU 85 Ca 0.02 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1q0k h LEU 85 Cb 0.89 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1q0k h LEU 85 CO 0.07 1.06 -0.09 0.28 0.09 0.00 0.00 178.44 179.85 1q0k h SER 86 N 0.29 0.48 0.31 -0.43 0.02 -0.98 -1.73 113.55 111.51 1q0k h SER 86 Ca -0.03 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 1q0k h SER 86 Cb 1.29 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1q0k h SER 86 CO 0.12 0.62 -0.54 0.00 -1.14 0.00 0.00 176.83 175.90 1q0k h ALA 87 N 1.44 0.93 -0.00 3.77 0.00 -0.96 -2.80 119.26 121.64 1q0k h ALA 87 Ca 0.09 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1q0k h ALA 87 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1q0k h ALA 87 CO 0.02 0.68 -0.58 0.00 0.00 0.00 0.00 179.25 179.38 1q0k h ALA 88 N 1.25 1.05 -0.74 0.00 0.00 -0.77 -2.60 119.26 117.45 1q0k h ALA 88 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1q0k h ALA 88 Cb 1.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1q0k h ALA 88 CO 0.08 0.72 0.29 0.87 0.00 0.00 0.00 179.25 181.21 1q0k h LYS 89 N 0.00 1.12 -0.21 0.00 1.57 -1.08 -2.77 116.57 115.20 1q0k h LYS 89 Ca -0.01 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1q0k h LYS 89 Cb 1.02 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1q0k h LYS 89 CO 0.08 0.92 0.00 0.00 -0.57 0.00 0.00 179.45 179.87 1q0k n ALA 90 N -2.42 2.47 -2.93 3.86 0.00 -1.01 -4.89 120.51 115.60 1q0k n ALA 90 Ca 0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 1q0k n ALA 90 Cb 0.19 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.03 0.16 0.00 0.00 0.15 -1.03 -5.01 113.70 106.94 1q0k s SER 91 Ca 0.15 -0.42 0.22 0.00 0.70 0.00 0.00 55.95 56.60 1q0k s SER 91 Cb 0.08 0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.63 1q0k s SER 91 CO 0.11 -0.39 1.12 0.35 1.20 0.00 0.00 173.24 175.63 1q0k n THR 92 N 1.29 0.00 -2.46 6.45 -2.24 -1.26 -4.84 114.28 111.22 1q0k n THR 92 Ca -0.22 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 1q0k n THR 92 Cb 0.56 1.35 -0.02 0.00 -2.10 0.00 0.00 70.33 70.12 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 -2.18 6.97 0.61 3.42 -1.08 -1.26 -4.63 116.67 118.52 1q0k s ASP 93 Ca 0.21 1.66 0.32 0.00 -0.52 0.00 0.00 52.55 54.22 1q0k s ASP 93 Cb 0.18 -2.54 1.78 0.00 -1.46 0.00 0.00 42.92 40.88 1q0k s ASP 93 CO 0.44 -0.74 2.11 -0.65 0.52 0.00 0.00 175.17 176.85 1q0k h PRO 94 N 8.06 0.00 -0.81 4.34 0.11 -1.89 -1.46 132.00 140.36 1q0k h PRO 94 Ca -0.26 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.89 1q0k h PRO 94 Cb 1.10 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1q0k h PRO 94 CO 0.97 0.00 0.51 0.00 -0.21 0.00 0.00 178.00 179.27 1q0k h ALA 95 N 1.73 1.07 -0.65 -0.75 0.00 -1.97 -0.51 119.26 118.17 1q0k h ALA 95 Ca 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1q0k h ALA 95 Cb 0.45 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1q0k h ALA 95 CO -0.00 0.31 0.22 1.79 0.00 0.00 0.00 179.25 181.57 1q0k h THR 96 N 0.98 1.25 -0.65 0.00 1.35 -1.66 -1.30 112.91 112.87 1q0k h THR 96 Ca 0.33 -0.83 -0.03 0.00 -0.55 0.00 0.00 66.41 65.32 1q0k h THR 96 Cb 0.04 0.56 -0.03 0.00 -1.73 0.00 0.00 68.15 66.99 1q0k h THR 96 CO -0.13 0.32 0.27 1.23 -0.25 0.00 0.00 175.52 176.96 1q0k h GLY 97 N 0.94 1.02 1.46 5.82 0.00 -1.44 -2.55 103.07 108.34 1q0k h GLY 97 Ca 0.21 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 1q0k h GLY 97 CO -0.01 0.50 -0.29 -1.61 0.00 0.00 0.00 176.54 175.13 1q0k h GLN 98 N 0.94 0.61 -0.77 4.80 5.75 -0.68 -2.32 115.11 123.45 1q0k h GLN 98 Ca 0.22 -0.26 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1q0k h GLN 98 Cb 0.17 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1q0k h GLN 98 CO -0.02 0.83 0.34 -0.22 -2.65 0.00 0.00 178.83 177.11 1q0k h LYS 99 N 0.53 1.12 -0.60 1.69 3.64 -0.86 0.17 116.57 122.26 1q0k h LYS 99 Ca 0.07 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1q0k h LYS 99 Cb 0.76 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1q0k h LYS 99 CO 0.06 0.89 0.21 0.00 -2.27 0.00 0.00 179.45 178.33 1q0k h ALA 100 N 1.17 0.78 -0.76 5.00 0.00 -1.27 -2.17 119.26 122.01 1q0k h ALA 100 Ca 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1q0k h ALA 100 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1q0k h ALA 100 CO -0.03 0.43 0.34 -0.07 0.00 0.00 0.00 179.25 179.92 1q0k h LEU 101 N 0.84 1.01 -0.50 0.00 3.38 -0.87 -1.04 115.31 118.14 1q0k h LEU 101 Ca 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1q0k h LEU 101 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1q0k h LEU 101 CO -0.01 0.87 0.14 0.44 0.09 0.00 0.00 178.44 179.98 1q0k h ASP 102 N 1.09 0.74 -0.65 -0.43 3.32 -0.69 -0.50 116.42 119.30 1q0k h ASP 102 Ca 0.26 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1q0k h ASP 102 Cb 0.15 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1q0k h ASP 102 CO -0.03 0.76 0.22 1.88 -1.72 0.00 0.00 179.24 180.35 1q0k h TYR 103 N 0.68 1.03 -0.63 4.55 0.05 -1.10 -2.24 116.97 119.31 1q0k h TYR 103 Ca 0.16 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1q0k h TYR 103 Cb 0.29 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 1q0k h TYR 103 CO 0.02 0.83 0.34 0.82 -1.05 0.00 0.00 178.16 179.12 1q0k h ILE 104 N 0.93 1.19 -0.67 -2.88 2.04 -0.85 -1.64 117.51 115.63 1q0k h ILE 104 Ca 0.21 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1q0k h ILE 104 Cb 0.27 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1q0k h ILE 104 CO -0.01 0.21 0.29 0.00 0.00 0.00 0.00 178.15 178.64 1q0k h ALA 105 N 1.50 1.25 -0.42 1.87 0.00 -0.53 0.13 119.26 123.07 1q0k h ALA 105 Ca 0.22 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1q0k h ALA 105 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1q0k h ALA 105 CO -0.04 0.56 -0.26 1.96 0.00 0.00 0.00 179.25 181.47 1q0k h GLN 106 N 0.96 0.91 -0.51 0.00 4.20 -0.87 -1.77 115.11 118.03 1q0k h GLN 106 Ca 0.23 -0.43 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 1q0k h GLN 106 Cb 0.15 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1q0k h GLN 106 CO -0.02 1.08 0.14 0.82 -0.67 0.00 0.00 178.83 180.18 1q0k h ILE 107 N 0.74 1.24 -1.00 2.54 2.04 -0.91 -1.84 117.51 120.31 1q0k h ILE 107 Ca 0.09 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.19 1q0k h ILE 107 Cb 0.84 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 1q0k h ILE 107 CO 0.07 0.30 0.65 -0.78 0.00 0.00 0.00 178.15 178.39 1q0k h ASP 108 N 0.71 1.05 0.02 1.72 3.58 -0.63 0.38 116.42 123.25 1q0k h ASP 108 Ca 0.16 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1q0k h ASP 108 Cb 0.30 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1q0k h ASP 108 CO -0.00 0.68 -0.01 0.50 -2.88 0.00 0.00 179.24 177.53 1q0k h LYS 109 N 1.20 -0.02 -0.37 0.28 3.64 -0.95 -1.78 116.57 118.58 1q0k h LYS 109 Ca 0.42 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 1q0k h LYS 109 Cb 0.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1q0k h LYS 109 CO -0.16 0.23 0.12 0.82 -2.27 0.00 0.00 179.45 178.19 1q0k h ILE 110 N -0.27 1.15 0.35 2.00 2.04 -0.75 -2.55 117.51 119.49 1q0k h ILE 110 Ca -0.00 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1q0k h ILE 110 Cb 0.26 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1q0k h ILE 110 CO 0.00 0.19 -0.17 0.15 0.00 0.00 0.00 178.15 178.32 1q0k h PHE 111 N 0.52 -0.44 0.00 1.37 3.57 0.15 -2.19 116.94 119.92 1q0k h PHE 111 Ca 0.13 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1q0k h PHE 111 Cb 0.14 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1q0k h PHE 111 CO 0.01 -0.26 -0.18 -1.49 -2.23 0.00 0.00 178.31 174.15 1q0k h TRP 112 N -0.49 0.00 -0.46 0.41 4.06 -1.16 -2.23 115.95 116.08 1q0k h TRP 112 Ca -0.05 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.79 1q0k h TRP 112 Cb 0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 1q0k h TRP 112 CO -0.05 0.18 -0.16 0.93 -3.56 0.00 0.00 178.44 175.78 1q0k h GLU 113 N 0.00 0.93 0.00 0.49 5.08 -1.20 -2.58 114.58 117.30 1q0k h GLU 113 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1q0k h GLU 113 Cb 0.39 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1q0k h GLU 113 CO 0.02 1.03 0.00 1.79 -1.00 0.00 0.00 179.01 180.86 1q0k h THR 114 N 0.77 0.00 0.00 1.13 1.35 -0.80 -2.10 112.91 113.26 1q0k h THR 114 Ca 0.11 -0.33 -0.05 0.00 -0.55 0.00 0.00 66.41 65.60 1q0k h THR 114 Cb 0.72 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1q0k h THR 114 CO 0.05 0.00 -0.22 0.11 -0.25 0.00 0.00 175.52 175.22 1q0k h LYS 115 N 0.00 0.00 -6.82 4.72 1.79 -1.14 -3.45 116.57 111.67 1q0k h LYS 115 Ca 0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 1q0k h LYS 115 Cb 0.38 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1q0k h LYS 115 CO 0.00 0.22 0.36 0.15 -1.08 0.00 0.00 179.45 179.10 1q0k s LYS 116 N -3.22 4.70 0.00 3.15 1.02 -0.79 -5.12 119.74 119.47 1q0k s LYS 116 Ca 0.04 1.45 0.16 0.00 0.02 0.00 0.00 55.97 57.64 1q0k s LYS 116 Cb 0.07 -3.04 0.93 0.00 -0.52 0.00 0.00 37.83 35.26 1q0k s LYS 116 CO 0.68 0.36 1.34 0.00 -0.92 0.00 0.00 175.35 176.81