#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 -0.69 -4.09 -0.08 0.00 2.03 -1.26 -4.93 116.55 107.52 1q0k n ASP 3 Ca 0.11 0.15 -0.12 0.00 0.52 0.00 0.00 54.79 55.45 1q0k n ASP 3 Cb 0.36 -2.94 -0.05 0.00 -0.72 0.00 0.00 41.12 37.77 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 0.50-10.06 -2.67 5.85 -2.03 -3.46 115.31 103.44 1q0k h LEU 4 Ca -0.26 -0.41 -0.51 0.00 0.84 0.00 0.00 57.88 57.54 1q0k h LEU 4 Cb 0.96 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1q0k h LEU 4 CO 0.34 0.80 -0.01 -2.16 -0.34 0.00 0.00 178.44 177.07 1q0k s PRO 5 N -4.58 3.81 0.09 5.25 0.04 -1.26 -5.13 135.00 133.21 1q0k s PRO 5 Ca -0.13 0.37 0.16 0.00 0.04 0.00 0.00 61.00 61.44 1q0k s PRO 5 Cb 0.07 -2.53 -0.12 0.00 0.04 0.00 0.00 34.50 31.97 1q0k s PRO 5 CO 0.77 0.17 0.91 0.00 0.04 0.00 0.00 177.00 178.88 1q0k n GLY 7 N 1.38 0.69 3.48 0.00 0.00 -1.26 -5.00 105.19 104.49 1q0k n GLY 7 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.61 4.92 0.03 1.61 1.01 -1.26 -4.95 120.40 119.15 1q0k s VAL 8 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.69 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 -0.06 -0.31 0.00 0.00 0.00 175.10 174.77 1q0k s TYR 9 N 1.67 0.52 -0.30 5.22 2.02 -1.26 -0.81 117.35 124.40 1q0k s TYR 9 Ca 0.05 -0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 56.19 1q0k s TYR 9 Cb -0.17 -0.32 0.18 0.00 -0.40 0.00 0.00 41.96 41.25 1q0k s TYR 9 CO 0.08 -0.11 0.86 0.34 -1.57 0.00 0.00 175.55 175.15 1q0k s ASP 10 N -1.45 -0.84 0.04 2.29 -1.08 -1.26 -5.00 116.67 109.37 1q0k s ASP 10 Ca -0.11 0.54 0.02 0.00 -0.52 0.00 0.00 52.55 52.48 1q0k s ASP 10 Cb -0.09 1.71 0.11 0.00 -1.46 0.00 0.00 42.92 43.19 1q0k s ASP 10 CO -0.00 -0.16 0.93 -2.65 0.52 0.00 0.00 175.17 173.81 1q0k n PRO 11 N 5.45 0.01 -0.19 4.34 -0.02 -1.26 -1.51 135.00 141.82 1q0k n PRO 11 Ca -0.05 0.39 0.05 0.00 -2.02 0.00 0.00 63.50 61.88 1q0k n PRO 11 Cb 0.53 -1.69 0.33 0.00 -0.02 0.00 0.00 33.50 32.64 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 1.45 1.65 -0.35 3.55 0.00 -1.98 -0.31 119.26 123.26 1q0k h ALA 12 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1q0k h ALA 12 Cb 0.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1q0k h ALA 12 CO 0.00 0.25 0.16 1.96 0.00 0.00 0.00 179.25 181.63 1q0k h GLN 13 N 0.82 0.33 -0.43 0.00 4.20 -1.71 -0.81 115.11 117.51 1q0k h GLN 13 Ca 0.31 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.92 1q0k h GLN 13 Cb 0.18 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1q0k h GLN 13 CO -0.10 0.22 -0.04 0.00 -0.67 0.00 0.00 178.83 178.24 1q0k h ALA 14 N 1.19 0.58 -0.49 3.87 0.00 -1.52 -3.07 119.26 119.84 1q0k h ALA 14 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1q0k h ALA 14 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1q0k h ALA 14 CO -0.12 0.41 0.24 -0.09 0.00 0.00 0.00 179.25 179.69 1q0k h ARG 15 N 0.62 0.70 -0.67 0.00 2.43 -0.74 -1.87 114.38 114.85 1q0k h ARG 15 Ca 0.12 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1q0k h ARG 15 Cb 0.55 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1q0k h ARG 15 CO 0.03 0.58 0.32 0.82 -1.51 0.00 0.00 179.97 180.21 1q0k h ILE 16 N 0.64 1.21 -0.11 1.20 2.04 -1.17 0.10 117.51 121.43 1q0k h ILE 16 Ca 0.17 -0.60 -0.16 0.00 1.00 0.00 0.00 64.86 65.27 1q0k h ILE 16 Cb 0.11 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1q0k h ILE 16 CO -0.02 0.25 -0.61 -0.33 0.00 0.00 0.00 178.15 177.44 1q0k h GLU 17 N 0.94 0.38 0.00 2.37 4.39 -1.42 -2.72 114.58 118.52 1q0k h GLU 17 Ca 0.23 -0.26 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1q0k h GLU 17 Cb 0.09 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1q0k h GLU 17 CO -0.03 0.87 -0.43 0.00 -1.16 0.00 0.00 179.01 178.27 1q0k h ALA 18 N 1.06 1.16 -0.25 3.43 0.00 -0.67 -2.43 119.26 121.57 1q0k h ALA 18 Ca -0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 1q0k h ALA 18 Cb 1.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1q0k h ALA 18 CO 0.10 0.53 -0.52 0.93 0.00 0.00 0.00 179.25 180.30 1q0k h GLU 19 N 0.00 0.71 -0.59 0.00 5.08 -0.76 -2.47 114.58 116.56 1q0k h GLU 19 Ca -0.00 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 57.84 1q0k h GLU 19 Cb 0.82 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1q0k h GLU 19 CO 0.06 1.06 0.05 0.77 -1.00 0.00 0.00 179.01 179.94 1q0k h SER 20 N 0.56 0.95 -0.33 1.42 0.02 -1.25 -0.36 113.55 114.56 1q0k h SER 20 Ca 0.02 -0.23 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1q0k h SER 20 Cb 1.09 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.33 1q0k h SER 20 CO 0.11 0.98 0.05 0.58 -1.14 0.00 0.00 176.83 177.40 1q0k h VAL 21 N 0.92 0.81 -0.32 2.27 2.07 -1.20 0.17 116.25 120.97 1q0k h VAL 21 Ca 0.18 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.52 1q0k h VAL 21 Cb 0.46 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1q0k h VAL 21 CO 0.02 0.03 -0.28 0.50 0.02 0.00 0.00 177.57 177.86 1q0k h LYS 22 N 0.16 0.75 -0.93 1.57 3.64 -1.20 -1.61 116.57 118.95 1q0k h LYS 22 Ca 0.16 -0.38 0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1q0k h LYS 22 Cb 0.19 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1q0k h LYS 22 CO -0.22 1.00 0.60 0.00 -2.27 0.00 0.00 179.45 178.56 1q0k h ALA 23 N 0.73 1.48 -0.32 5.00 0.00 -0.71 -0.22 119.26 125.22 1q0k h ALA 23 Ca 0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1q0k h ALA 23 Cb 0.85 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1q0k h ALA 23 CO 0.07 0.39 -0.35 0.82 0.00 0.00 0.00 179.25 180.18 1q0k h ILE 24 N 1.07 1.29 -0.85 0.00 2.04 -0.52 -1.83 117.51 118.71 1q0k h ILE 24 Ca 0.39 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1q0k h ILE 24 Cb 0.17 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1q0k h ILE 24 CO -0.15 0.50 0.53 1.56 0.00 0.00 0.00 178.15 180.60 1q0k h GLN 25 N 0.57 1.14 -0.35 2.37 4.20 -0.42 0.34 115.11 122.95 1q0k h GLN 25 Ca 0.05 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1q0k h GLN 25 Cb 0.94 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1q0k h GLN 25 CO 0.09 0.78 -0.25 0.93 -0.67 0.00 0.00 178.83 179.71 1q0k h GLU 26 N 1.16 0.70 -0.03 1.46 5.08 -0.93 -2.96 114.58 119.06 1q0k h GLU 26 Ca 0.31 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1q0k h GLU 26 Cb -0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1q0k h GLU 26 CO -0.06 0.88 -0.70 0.87 -1.00 0.00 0.00 179.01 179.00 1q0k h LYS 27 N 0.61 0.17 -0.67 2.33 1.57 -0.60 -3.23 116.57 116.75 1q0k h LYS 27 Ca 0.08 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1q0k h LYS 27 Cb 0.74 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1q0k h LYS 27 CO 0.06 0.80 0.28 0.52 -0.57 0.00 0.00 179.45 180.54 1q0k h MET 28 N 0.12 0.99 0.00 3.15 2.86 -0.80 -2.35 114.93 118.89 1q0k h MET 28 Ca -0.02 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1q0k h MET 28 Cb 1.24 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1q0k h MET 28 CO 0.10 0.81 0.00 0.00 1.06 0.00 0.00 176.91 178.88 1q0k h ALA 29 N 1.13 1.00 0.00 6.32 0.00 -1.55 -2.96 119.26 123.20 1q0k h ALA 29 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1q0k h ALA 29 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1q0k h ALA 29 CO -0.02 0.00 -1.48 0.00 0.00 0.00 0.00 179.25 177.75 1q0k n ALA 30 N -2.03 3.26 -3.65 0.00 0.00 -0.90 -4.78 120.51 112.41 1q0k n ALA 30 Ca -0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 1q0k n ALA 30 Cb 0.14 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 -4.21 3.55 0.00 0.00 3.84 -1.12 -4.98 114.94 112.02 1q0k s ASN 31 Ca -0.02 -2.32 0.00 0.00 0.21 0.00 0.00 52.86 50.73 1q0k s ASN 31 Cb 0.14 -0.84 0.00 0.00 -0.55 0.00 0.00 41.25 40.00 1q0k s ASN 31 CO 0.86 -0.31 0.54 -0.90 -2.79 0.00 0.00 177.10 174.51 1q0k n ASP 32 N 3.92 0.65 -4.71 -4.21 5.68 -1.26 -4.50 116.55 112.12 1q0k n ASP 32 Ca 0.07 -1.73 -0.42 0.00 -0.50 0.00 0.00 54.79 52.21 1q0k n ASP 32 Cb 0.36 -0.33 -0.03 0.00 -1.14 0.00 0.00 41.12 39.99 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 -0.38 6.45 0.17 -1.12 2.15 -1.26 -4.87 116.67 117.80 1q0k s ASP 33 Ca 0.00 2.78 -0.21 0.00 0.43 0.00 0.00 52.55 55.54 1q0k s ASP 33 Cb 0.00 -2.59 0.07 0.00 -0.30 0.00 0.00 42.92 40.10 1q0k s ASP 33 CO 0.00 -0.94 1.62 0.25 -0.17 0.00 0.00 175.17 175.93 1q0k h LEU 34 N 7.09 -0.88 -1.05 -1.34 5.85 -1.99 -0.64 115.31 122.36 1q0k h LEU 34 Ca -0.43 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1q0k h LEU 34 Cb 1.20 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 42.61 1q0k h LEU 34 CO 0.94 -0.28 0.64 0.45 -0.34 0.00 0.00 178.44 179.85 1q0k h HIS 35 N -0.21 1.20 -0.53 1.25 3.86 -1.97 -0.58 115.15 118.17 1q0k h HIS 35 Ca 0.18 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.30 1q0k h HIS 35 Cb 0.49 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1q0k h HIS 35 CO -0.48 0.70 -0.12 0.35 0.86 0.00 0.00 177.93 179.25 1q0k h PHE 36 N 1.25 1.13 -0.86 2.45 3.57 -1.73 -1.82 116.94 120.94 1q0k h PHE 36 Ca 0.38 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1q0k h PHE 36 Cb -0.02 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.40 1q0k h PHE 36 CO -0.00 1.06 0.46 1.96 -2.23 0.00 0.00 178.31 179.55 1q0k h GLN 37 N 0.90 1.21 0.13 1.11 1.08 -0.23 0.86 115.11 120.18 1q0k h GLN 37 Ca 0.14 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1q0k h GLN 37 Cb 0.69 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1q0k h GLN 37 CO 0.05 0.90 -0.06 0.82 -0.95 0.00 0.00 178.83 179.59 1q0k h ILE 38 N 1.21 0.99 -0.65 2.54 2.04 -0.90 -1.60 117.51 121.14 1q0k h ILE 38 Ca 0.30 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1q0k h ILE 38 Cb 0.06 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1q0k h ILE 38 CO -0.05 0.12 0.43 0.03 0.00 0.00 0.00 178.15 178.68 1q0k h ARG 39 N -0.42 0.84 -0.80 2.37 3.08 -1.16 -0.07 114.38 118.22 1q0k h ARG 39 Ca -0.02 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1q0k h ARG 39 Cb 0.34 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1q0k h ARG 39 CO 0.03 0.56 0.35 0.00 -1.07 0.00 0.00 179.97 179.84 1q0k h ALA 40 N 1.24 1.12 -0.06 0.04 0.00 -0.81 -0.77 119.26 120.02 1q0k h ALA 40 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1q0k h ALA 40 Cb -0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 1q0k h ALA 40 CO -0.06 0.65 -0.01 1.15 0.00 0.00 0.00 179.25 180.98 1q0k h THR 41 N 1.14 1.27 -0.55 0.00 2.02 -0.79 0.18 112.91 116.17 1q0k h THR 41 Ca 0.27 -0.83 0.03 0.00 0.77 0.00 0.00 66.41 66.65 1q0k h THR 41 Cb 0.16 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 1q0k h THR 41 CO -0.03 0.23 0.32 0.58 0.37 0.00 0.00 175.52 176.99 1q0k h VAL 42 N -0.20 1.03 -0.01 3.16 2.07 -0.85 -1.76 116.25 119.69 1q0k h VAL 42 Ca 0.02 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 1q0k h VAL 42 Cb 0.36 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1q0k h VAL 42 CO 0.00 0.11 -0.68 0.40 0.02 0.00 0.00 177.57 177.42 1q0k h ILE 43 N 0.62 1.48 -0.16 4.57 2.04 -1.09 -2.95 117.51 122.02 1q0k h ILE 43 Ca 0.23 -2.31 -0.15 0.00 1.00 0.00 0.00 64.86 63.62 1q0k h ILE 43 Cb 0.06 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1q0k h ILE 43 CO -0.12 0.66 -0.54 0.50 0.00 0.00 0.00 178.15 178.65 1q0k h LYS 44 N 0.02 0.46 -0.46 2.37 3.64 -0.68 -1.97 116.57 119.96 1q0k h LYS 44 Ca -0.01 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1q0k h LYS 44 Cb 1.21 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1q0k h LYS 44 CO 0.09 0.88 0.19 1.49 -2.27 0.00 0.00 179.45 179.84 1q0k h GLU 45 N 0.35 0.67 -0.52 1.90 4.57 -1.25 -1.50 114.58 118.80 1q0k h GLU 45 Ca 0.01 -0.12 -0.12 0.00 -1.18 0.00 0.00 59.36 57.95 1q0k h GLU 45 Cb 1.06 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1q0k h GLU 45 CO 0.10 0.60 -0.16 1.96 -1.18 0.00 0.00 179.01 180.33 1q0k h GLN 46 N 0.59 1.03 -0.34 1.92 4.20 -1.39 -1.52 115.11 119.61 1q0k h GLN 46 Ca 0.15 -0.41 -0.13 0.00 0.06 0.00 0.00 58.65 58.32 1q0k h GLN 46 Cb 0.17 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1q0k h GLN 46 CO -0.01 1.10 -0.32 0.00 -0.67 0.00 0.00 178.83 178.92 1q0k h ARG 47 N 0.90 0.74 -0.37 1.46 2.47 -1.24 -1.92 114.38 116.41 1q0k h ARG 47 Ca 0.13 -0.34 -0.11 0.00 -1.26 0.00 0.00 59.98 58.39 1q0k h ARG 47 Cb 0.74 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 1q0k h ARG 47 CO 0.06 0.96 -0.23 0.00 0.56 0.00 0.00 179.97 181.31 1q0k h ALA 48 N 1.02 0.89 -0.39 0.04 0.00 -1.18 -1.51 119.26 118.13 1q0k h ALA 48 Ca 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1q0k h ALA 48 Cb 0.85 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1q0k h ALA 48 CO 0.07 0.63 0.07 1.49 0.00 0.00 0.00 179.25 181.51 1q0k h GLU 49 N 0.65 0.64 -0.55 0.00 4.57 -1.10 -0.59 114.58 118.20 1q0k h GLU 49 Ca 0.09 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1q0k h GLU 49 Cb 0.74 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 1q0k h GLU 49 CO 0.06 0.69 0.29 -0.07 -1.18 0.00 0.00 179.01 178.79 1q0k h LEU 50 N 0.49 0.70 -0.36 1.64 3.38 -1.19 -0.06 115.31 119.91 1q0k h LEU 50 Ca 0.12 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1q0k h LEU 50 Cb 0.35 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1q0k h LEU 50 CO 0.01 0.61 0.16 0.00 0.09 0.00 0.00 178.44 179.31 1q0k h ALA 51 N 1.12 0.44 -0.85 1.53 0.00 -1.03 0.58 119.26 121.05 1q0k h ALA 51 Ca 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1q0k h ALA 51 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1q0k h ALA 51 CO -0.03 -0.22 0.53 0.87 0.00 0.00 0.00 179.25 180.40 1q0k h LYS 52 N 0.33 1.14 -0.46 0.00 1.57 -0.73 -2.07 116.57 116.35 1q0k h LYS 52 Ca 0.16 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1q0k h LYS 52 Cb 0.09 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1q0k h LYS 52 CO -0.13 0.79 0.29 1.25 -0.57 0.00 0.00 179.45 181.08 1q0k h HIS 53 N 1.16 0.60 -0.77 -1.35 2.76 0.08 0.89 115.15 118.52 1q0k h HIS 53 Ca 0.31 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.46 1q0k h HIS 53 Cb -0.07 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 28.65 1q0k h HIS 53 CO -0.01 0.40 0.38 0.45 -1.30 0.00 0.00 177.93 177.86 1q0k h HIS 54 N 0.62 1.08 -0.29 5.26 3.86 -0.46 -1.54 115.15 123.68 1q0k h HIS 54 Ca 0.17 -0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.19 1q0k h HIS 54 Cb -0.04 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.08 1q0k h HIS 54 CO -0.04 0.77 -0.41 -0.07 0.86 0.00 0.00 177.93 179.05 1q0k h LEU 55 N 1.09 0.76 -0.83 2.43 3.38 -0.95 -2.43 115.31 118.74 1q0k h LEU 55 Ca 0.27 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1q0k h LEU 55 Cb 0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1q0k h LEU 55 CO -0.04 1.07 0.48 0.44 0.09 0.00 0.00 178.44 180.48 1q0k h ASP 56 N 0.58 1.02 -0.47 -0.43 3.32 -0.35 -1.97 116.42 118.12 1q0k h ASP 56 Ca 0.05 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1q0k h ASP 56 Cb 0.95 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1q0k h ASP 56 CO 0.09 0.81 0.14 0.58 -1.72 0.00 0.00 179.24 179.13 1q0k h VAL 57 N 1.15 1.23 -0.28 -1.35 2.07 -1.11 0.51 116.25 118.48 1q0k h VAL 57 Ca 0.30 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1q0k h VAL 57 Cb -0.00 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1q0k h VAL 57 CO -0.05 0.28 0.13 -0.07 0.02 0.00 0.00 177.57 177.88 1q0k h LEU 58 N 0.63 0.19 -0.44 2.57 3.38 -1.15 0.48 115.31 120.96 1q0k h LEU 58 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1q0k h LEU 58 Cb 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1q0k h LEU 58 CO -0.00 0.15 0.22 -0.25 0.09 0.00 0.00 178.44 178.65 1q0k h TRP 59 N 0.28 0.63 0.20 1.13 7.01 -1.17 -0.83 115.95 123.20 1q0k h TRP 59 Ca 0.11 -0.03 -0.34 0.00 2.11 0.00 0.00 58.89 60.75 1q0k h TRP 59 Cb 0.04 -0.20 0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1q0k h TRP 59 CO -0.10 0.50 -1.59 0.66 -2.79 0.00 0.00 178.44 175.12 1q0k h SER 60 N 0.58 0.68 0.00 2.65 4.64 -0.67 -3.39 113.55 118.03 1q0k h SER 60 Ca 0.15 -0.85 -0.43 0.00 -0.47 0.00 0.00 61.79 60.19 1q0k h SER 60 Cb 0.10 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 61.90 1q0k h SER 60 CO -0.02 1.69 -2.37 0.47 -0.87 0.00 0.00 176.83 175.73 1q0k n ASP 61 N -3.62 1.95 0.11 4.97 9.92 0.17 -4.82 116.55 125.21 1q0k n ASP 61 Ca -0.20 0.34 -0.05 0.00 -0.53 0.00 0.00 54.79 54.36 1q0k n ASP 61 Cb 1.08 -0.83 -0.02 0.00 -0.64 0.00 0.00 41.12 40.70 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 -0.98 -0.30 -2.65 1.24 3.20 -1.31 -3.45 116.97 112.72 1q0k h TYR 62 Ca -0.65 -0.01 -0.52 0.00 3.14 0.00 0.00 58.73 60.69 1q0k h TYR 62 Cb 1.58 0.10 0.05 0.00 1.54 0.00 0.00 36.73 40.00 1q0k h TYR 62 CO -0.06 -0.18 1.02 -0.06 -1.64 0.00 0.00 178.16 177.24 1q0k s PHE 63 N -2.66 2.72 0.45 -3.82 0.08 -0.39 -5.01 117.98 109.35 1q0k s PHE 63 Ca -0.05 0.29 0.07 0.00 0.12 0.00 0.00 56.93 57.36 1q0k s PHE 63 Cb 0.00 -4.12 -0.02 0.00 -0.57 0.00 0.00 43.02 38.32 1q0k s PHE 63 CO 0.14 -4.33 0.30 0.15 -0.10 0.00 0.00 175.22 171.39 1q0k s LYS 64 N 1.61 2.35 0.28 0.44 -0.14 -1.26 -4.79 119.74 118.22 1q0k s LYS 64 Ca 0.76 -1.78 0.02 0.00 -1.36 0.00 0.00 55.97 53.60 1q0k s LYS 64 Cb -0.48 -2.15 0.64 0.00 -1.68 0.00 0.00 37.83 34.17 1q0k s LYS 64 CO 0.33 -0.27 1.72 -1.35 -0.76 0.00 0.00 175.35 175.02 1q0k h PRO 65 N 1.12 0.45 -0.73 -1.68 0.11 -1.99 -0.94 132.00 128.33 1q0k h PRO 65 Ca -0.41 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.78 1q0k h PRO 65 Cb 1.27 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1q0k h PRO 65 CO 0.62 0.30 0.35 -1.35 -0.21 0.00 0.00 178.00 177.71 1q0k h PRO 66 N 0.47 0.55 -0.57 1.05 0.11 -1.99 -0.78 132.00 130.84 1q0k h PRO 66 Ca 0.52 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.59 1q0k h PRO 66 Cb 0.90 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 1q0k h PRO 66 CO -0.47 0.37 0.35 0.45 -0.21 0.00 0.00 178.00 178.48 1q0k h HIS 67 N 0.57 0.74 0.00 0.65 3.86 -1.57 -1.01 115.15 118.39 1q0k h HIS 67 Ca 0.37 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.53 1q0k h HIS 67 Cb 0.45 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1q0k h HIS 67 CO -0.12 0.50 -0.28 0.74 0.86 0.00 0.00 177.93 179.63 1q0k h PHE 68 N 0.76 0.00 -0.10 2.45 0.04 -1.07 -0.88 116.94 118.14 1q0k h PHE 68 Ca 0.20 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.80 1q0k h PHE 68 Cb -0.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.13 1q0k h PHE 68 CO -0.02 0.28 -0.62 1.49 -0.60 0.00 0.00 178.31 178.83 1q0k h GLU 69 N 0.00 0.60 0.00 1.51 4.81 -0.48 -2.94 114.58 118.08 1q0k h GLU 69 Ca -0.00 -0.51 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1q0k h GLU 69 Cb 0.66 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1q0k h GLU 69 CO 0.04 1.13 -0.20 0.77 -0.73 0.00 0.00 179.01 180.01 1q0k h SER 70 N 0.23 0.00 -2.47 1.04 0.02 -0.99 -3.35 113.55 108.03 1q0k h SER 70 Ca -0.05 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.31 1q0k h SER 70 Cb 1.27 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.41 1q0k h SER 70 CO 0.13 0.20 -0.80 -1.22 -1.14 0.00 0.00 176.83 174.01 1q0k n TYR 71 N -3.24 1.47 0.27 3.45 4.02 -0.36 -4.97 117.16 117.81 1q0k n TYR 71 Ca 0.02 -3.85 0.10 0.00 -0.01 0.00 0.00 57.90 54.16 1q0k n TYR 71 Cb 0.51 -0.31 0.55 0.00 -0.02 0.00 0.00 39.34 40.06 1q0k n TYR 71 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1q0k h PRO 72 N 4.91 0.00 -0.50 -0.72 0.11 -1.67 0.75 132.00 134.87 1q0k h PRO 72 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1q0k h PRO 72 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1q0k h PRO 72 CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 1q0k n GLU 73 N -2.52 2.58 0.10 1.05 -0.58 -1.26 -4.57 120.64 115.43 1q0k n GLU 73 Ca -0.01 -2.33 -0.13 0.00 -0.42 0.00 0.00 57.16 54.27 1q0k n GLU 73 Cb 0.43 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.77 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 3.65 -0.16 -0.43 -4.62 5.85 -1.16 -0.46 115.31 117.98 1q0k h LEU 74 Ca 0.00 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1q0k h LEU 74 Cb 0.89 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.87 1q0k h LEU 74 CO 0.00 -0.01 -0.23 0.45 -0.34 0.00 0.00 178.44 178.31 1q0k h HIS 75 N -0.29 -0.58 -0.88 1.25 3.86 -1.80 -0.67 115.15 116.02 1q0k h HIS 75 Ca -0.02 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1q0k h HIS 75 Cb 0.23 0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 1q0k h HIS 75 CO -0.04 -0.31 0.48 1.15 0.86 0.00 0.00 177.93 180.07 1q0k h THR 76 N -0.14 1.26 -0.28 2.45 2.02 -1.83 -1.68 112.91 114.70 1q0k h THR 76 Ca 0.21 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1q0k h THR 76 Cb 0.46 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1q0k h THR 76 CO -0.52 0.29 0.13 0.25 0.37 0.00 0.00 175.52 176.04 1q0k h LEU 77 N 1.24 0.36 -0.38 2.58 5.85 0.16 -0.22 115.31 124.90 1q0k h LEU 77 Ca 0.31 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1q0k h LEU 77 Cb 0.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1q0k h LEU 77 CO -0.05 0.39 -0.01 0.58 -0.34 0.00 0.00 178.44 179.01 1q0k h VAL 78 N 0.31 1.26 -0.68 1.05 2.07 -1.03 -1.35 116.25 117.87 1q0k h VAL 78 Ca 0.09 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.63 1q0k h VAL 78 Cb 0.13 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1q0k h VAL 78 CO -0.01 0.34 0.41 -1.13 0.02 0.00 0.00 177.57 177.20 1q0k h ASN 79 N 0.50 0.66 -0.59 0.57 -0.73 -1.18 -1.10 115.58 113.71 1q0k h ASN 79 Ca 0.11 0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.22 1q0k h ASN 79 Cb 0.49 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 1q0k h ASN 79 CO 0.02 0.45 0.14 -0.33 -0.37 0.00 0.00 177.43 177.34 1q0k h GLU 80 N 0.79 0.98 -0.15 6.67 5.08 -0.89 -1.39 114.58 125.66 1q0k h GLU 80 Ca 0.28 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1q0k h GLU 80 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1q0k h GLU 80 CO -0.13 0.88 0.07 0.00 -1.00 0.00 0.00 179.01 178.82 1q0k h ALA 81 N 1.22 0.20 -0.02 3.43 0.00 -0.24 0.98 119.26 124.82 1q0k h ALA 81 Ca 0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1q0k h ALA 81 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1q0k h ALA 81 CO 0.00 -0.24 -0.52 -0.39 0.00 0.00 0.00 179.25 178.11 1q0k h VAL 82 N 0.11 1.37 0.00 0.00 -1.51 -1.16 -1.72 116.25 113.34 1q0k h VAL 82 Ca 0.05 -1.77 -0.09 0.00 -1.23 0.00 0.00 66.70 63.66 1q0k h VAL 82 Cb 0.13 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 1q0k h VAL 82 CO -0.01 0.51 -0.44 0.11 -1.23 0.00 0.00 177.57 176.52 1q0k h LYS 83 N 0.05 0.00 -0.16 5.19 1.57 -0.99 -1.80 116.57 120.43 1q0k h LYS 83 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1q0k h LYS 83 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1q0k h LYS 83 CO 0.07 0.44 -0.56 0.00 -0.57 0.00 0.00 179.45 178.83 1q0k h ALA 84 N 1.56 0.74 -0.49 3.86 0.00 -0.07 -2.30 119.26 122.57 1q0k h ALA 84 Ca -0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1q0k h ALA 84 Cb 0.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1q0k h ALA 84 CO 0.06 0.69 -0.22 -0.07 0.00 0.00 0.00 179.25 179.71 1q0k h LEU 85 N 0.36 1.04 -1.32 0.00 3.38 -0.75 -1.11 115.31 116.90 1q0k h LEU 85 Ca 0.00 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1q0k h LEU 85 Cb 1.09 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1q0k h LEU 85 CO 0.10 1.20 0.02 0.28 0.09 0.00 0.00 178.44 180.13 1q0k h SER 86 N 0.87 0.43 -0.01 -0.43 0.02 -1.21 -0.99 113.55 112.23 1q0k h SER 86 Ca 0.11 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 1q0k h SER 86 Cb 0.80 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1q0k h SER 86 CO 0.07 0.49 -0.41 0.00 -1.14 0.00 0.00 176.83 175.84 1q0k h ALA 87 N 1.57 0.87 -0.11 3.77 0.00 -1.06 -2.69 119.26 121.61 1q0k h ALA 87 Ca 0.10 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1q0k h ALA 87 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1q0k h ALA 87 CO 0.01 0.64 -0.42 0.00 0.00 0.00 0.00 179.25 179.47 1q0k h ALA 88 N 1.12 1.09 -0.10 0.00 0.00 -0.26 -2.57 119.26 118.53 1q0k h ALA 88 Ca 0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1q0k h ALA 88 Cb 0.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1q0k h ALA 88 CO 0.08 0.60 0.05 0.87 0.00 0.00 0.00 179.25 180.85 1q0k h LYS 89 N 0.20 0.13 0.00 0.00 1.57 -0.96 -2.62 116.57 114.90 1q0k h LYS 89 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1q0k h LYS 89 Cb 0.84 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1q0k h LYS 89 CO 0.07 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.10 1q0k n ALA 90 N -2.15 2.45 -2.76 3.86 0.00 -1.04 -4.85 120.51 116.02 1q0k n ALA 90 Ca -0.05 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1q0k n ALA 90 Cb 0.06 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.33 1.12 0.00 0.00 0.15 -0.99 -5.01 113.70 107.64 1q0k s SER 91 Ca 0.11 -0.61 0.15 0.00 0.70 0.00 0.00 55.95 56.30 1q0k s SER 91 Cb 0.05 0.02 0.27 0.00 -1.71 0.00 0.00 66.02 64.65 1q0k s SER 91 CO 0.09 -0.19 1.17 0.35 1.20 0.00 0.00 173.24 175.85 1q0k n THR 92 N 1.27 0.52 -2.87 6.45 -2.24 -1.26 -4.86 114.28 111.29 1q0k n THR 92 Ca -0.21 -0.76 -0.43 0.00 -2.27 0.00 0.00 64.05 60.38 1q0k n THR 92 Cb 0.55 0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.11 6.49 0.62 3.42 2.15 -1.26 -4.70 116.67 122.27 1q0k s ASP 93 Ca 0.25 0.10 0.25 0.00 0.43 0.00 0.00 52.55 53.57 1q0k s ASP 93 Cb 0.14 -2.43 1.12 0.00 -0.30 0.00 0.00 42.92 41.45 1q0k s ASP 93 CO 0.20 -0.99 1.57 -0.65 -0.17 0.00 0.00 175.17 175.14 1q0k h PRO 94 N 8.98 0.00 -0.21 4.34 0.11 -1.89 0.21 132.00 143.54 1q0k h PRO 94 Ca -0.24 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.79 1q0k h PRO 94 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1q0k h PRO 94 CO 1.00 0.00 -0.21 0.00 -0.21 0.00 0.00 178.00 178.58 1q0k h ALA 95 N 0.92 1.25 -0.61 -0.75 0.00 -1.97 -1.14 119.26 116.97 1q0k h ALA 95 Ca 0.26 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1q0k h ALA 95 Cb 1.84 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1q0k h ALA 95 CO -0.00 0.49 0.02 1.79 0.00 0.00 0.00 179.25 181.55 1q0k h THR 96 N 0.35 1.27 -0.58 0.00 1.35 -0.98 0.31 112.91 114.62 1q0k h THR 96 Ca 0.06 -1.13 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 1q0k h THR 96 Cb 0.56 0.79 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 1q0k h THR 96 CO 0.04 0.41 0.28 1.23 -0.25 0.00 0.00 175.52 177.23 1q0k h GLY 97 N 0.96 0.89 1.07 5.82 0.00 -1.51 -2.41 103.07 107.90 1q0k h GLY 97 Ca 0.17 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1q0k h GLY 97 CO 0.03 0.42 0.38 -1.61 0.00 0.00 0.00 176.54 175.76 1q0k h GLN 98 N 0.78 1.20 -0.72 4.80 5.75 -0.81 -1.29 115.11 124.83 1q0k h GLN 98 Ca 0.20 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1q0k h GLN 98 Cb 0.11 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 1q0k h GLN 98 CO -0.03 0.93 0.42 -0.22 -2.65 0.00 0.00 178.83 177.29 1q0k h LYS 99 N 1.18 0.97 -0.04 1.69 3.64 -0.58 0.18 116.57 123.61 1q0k h LYS 99 Ca 0.28 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1q0k h LYS 99 Cb 0.14 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1q0k h LYS 99 CO -0.03 0.69 0.01 0.00 -2.27 0.00 0.00 179.45 177.84 1q0k h ALA 100 N 1.48 0.05 -0.80 5.00 0.00 -0.90 -2.21 119.26 121.89 1q0k h ALA 100 Ca 0.26 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1q0k h ALA 100 Cb -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1q0k h ALA 100 CO -0.05 -0.31 0.52 -0.07 0.00 0.00 0.00 179.25 179.35 1q0k h LEU 101 N -0.18 0.70 -0.05 0.00 3.38 -0.64 -1.11 115.31 117.42 1q0k h LEU 101 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1q0k h LEU 101 Cb 0.27 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1q0k h LEU 101 CO 0.00 0.43 0.02 0.44 0.09 0.00 0.00 178.44 179.42 1q0k h ASP 102 N 0.78 0.06 -0.93 -0.43 3.32 -0.35 -1.43 116.42 117.45 1q0k h ASP 102 Ca 0.36 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1q0k h ASP 102 Cb 0.37 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 1q0k h ASP 102 CO -0.14 0.14 0.58 1.88 -1.72 0.00 0.00 179.24 179.98 1q0k h TYR 103 N -0.02 1.20 -0.60 4.55 0.05 -0.74 -2.10 116.97 119.31 1q0k h TYR 103 Ca 0.02 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1q0k h TYR 103 Cb 0.09 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.40 1q0k h TYR 103 CO -0.04 0.78 0.29 0.82 -1.05 0.00 0.00 178.16 178.96 1q0k h ILE 104 N 1.27 1.20 -0.31 -2.88 2.04 -0.95 -1.05 117.51 116.83 1q0k h ILE 104 Ca 0.34 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1q0k h ILE 104 Cb -0.09 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1q0k h ILE 104 CO -0.07 0.23 0.14 0.00 0.00 0.00 0.00 178.15 178.45 1q0k h ALA 105 N 1.48 0.40 -0.66 1.87 0.00 -0.59 0.22 119.26 121.98 1q0k h ALA 105 Ca 0.21 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1q0k h ALA 105 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1q0k h ALA 105 CO -0.03 -0.03 0.42 1.96 0.00 0.00 0.00 179.25 181.58 1q0k h GLN 106 N 0.35 0.82 -0.46 0.00 4.20 -1.01 -0.36 115.11 118.65 1q0k h GLN 106 Ca 0.10 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1q0k h GLN 106 Cb 0.15 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1q0k h GLN 106 CO -0.01 0.54 -0.07 0.82 -0.67 0.00 0.00 178.83 179.44 1q0k h ILE 107 N 0.84 1.25 -0.86 2.54 2.04 -0.88 -2.57 117.51 119.88 1q0k h ILE 107 Ca 0.25 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 1q0k h ILE 107 Cb -0.04 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1q0k h ILE 107 CO -0.08 0.39 0.43 -0.78 0.00 0.00 0.00 178.15 178.11 1q0k h ASP 108 N 0.73 1.11 -0.57 1.72 1.82 0.33 0.27 116.42 121.83 1q0k h ASP 108 Ca 0.13 -0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1q0k h ASP 108 Cb 0.54 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.24 1q0k h ASP 108 CO 0.03 0.92 0.27 0.50 -1.61 0.00 0.00 179.24 179.35 1q0k h LYS 109 N 1.22 0.82 -0.40 0.28 3.64 -0.72 -2.24 116.57 119.17 1q0k h LYS 109 Ca 0.30 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1q0k h LYS 109 Cb 0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1q0k h LYS 109 CO -0.04 0.67 -0.24 0.82 -2.27 0.00 0.00 179.45 178.39 1q0k h ILE 110 N 0.77 1.27 0.21 2.00 2.04 -1.12 -2.54 117.51 120.15 1q0k h ILE 110 Ca 0.20 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.70 1q0k h ILE 110 Cb 0.12 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1q0k h ILE 110 CO -0.02 0.46 -0.35 0.15 0.00 0.00 0.00 178.15 178.39 1q0k h PHE 111 N 0.71 -0.96 0.00 1.37 3.57 -0.53 -1.16 116.94 119.94 1q0k h PHE 111 Ca 0.09 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1q0k h PHE 111 Cb 0.77 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1q0k h PHE 111 CO 0.04 -0.47 -0.18 -1.49 -2.23 0.00 0.00 178.31 173.98 1q0k h TRP 112 N -0.64 0.00 -0.23 0.41 4.06 -1.42 -1.61 115.95 116.52 1q0k h TRP 112 Ca 0.01 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1q0k h TRP 112 Cb 0.63 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1q0k h TRP 112 CO -0.27 0.18 0.03 0.93 -3.56 0.00 0.00 178.44 175.75 1q0k h GLU 113 N 0.00 0.39 -0.01 0.49 5.08 -0.97 -1.21 114.58 118.36 1q0k h GLU 113 Ca -0.00 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1q0k h GLU 113 Cb 0.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1q0k h GLU 113 CO 0.02 0.54 -0.18 1.79 -1.00 0.00 0.00 179.01 180.19 1q0k h THR 114 N 0.18 1.13 -0.21 1.13 1.35 -0.73 0.33 112.91 116.09 1q0k h THR 114 Ca 0.07 -0.63 -0.13 0.00 -0.55 0.00 0.00 66.41 65.17 1q0k h THR 114 Cb 0.35 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1q0k h THR 114 CO 0.01 0.18 -0.41 0.11 -0.25 0.00 0.00 175.52 175.16 1q0k h LYS 115 N 0.01 0.50 0.00 4.72 1.79 -0.82 -3.06 116.57 119.72 1q0k h LYS 115 Ca 0.00 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1q0k h LYS 115 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1q0k h LYS 115 CO 0.02 0.83 -1.01 0.36 -1.08 0.00 0.00 179.45 178.57 1q0k n LYS 116 N -4.02 0.58 0.00 3.15 2.85 -0.50 -5.09 118.16 115.12 1q0k n LYS 116 Ca -0.02 0.11 0.04 0.00 -1.05 0.00 0.00 58.31 57.39 1q0k n LYS 116 Cb 0.51 -1.80 0.25 0.00 -0.65 0.00 0.00 35.03 33.33 1q0k n LYS 116 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35