#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gaq n LEU 2 N 0.00 0.00 0.00 -1.84 4.77 -1.26 -4.81 117.00 113.86 2gaq n LEU 2 Ca 0.00 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2gaq n LEU 2 Cb 0.00 -1.87 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 2gaq n LEU 2 CO 0.00 -1.57 0.00 -0.38 -1.33 0.00 0.00 177.39 174.11 2gaq n ILE 3 N -2.36 0.00 -2.58 -0.08 -0.00 -1.26 -3.90 119.36 109.18 2gaq n ILE 3 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.74 2gaq n ILE 3 Cb 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.91 2gaq n ILE 3 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2gaq n ARG 4 N -1.21 0.20 0.00 0.38 1.85 -1.26 -5.00 116.66 111.62 2gaq n ARG 4 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 2gaq n ARG 4 Cb 0.00 0.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.45 2gaq n ARG 4 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 2gaq n VAL 5 N -0.36 0.00 -3.08 8.89 3.14 -1.25 -5.04 118.33 120.64 2gaq n VAL 5 Ca -0.13 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.12 2gaq n VAL 5 Cb 0.60 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.43 2gaq n VAL 5 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gaq n ALA 6 N -0.73 -0.94 -3.49 1.55 0.00 -1.26 -4.26 120.51 111.38 2gaq n ALA 6 Ca 0.00 0.16 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 2gaq n ALA 6 Cb 0.00 -2.97 0.03 0.00 0.00 0.00 0.00 19.45 16.51 2gaq n ALA 6 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2gaq n ILE 7 N -3.68 -3.44 0.00 0.00 0.00 -1.26 -4.88 119.36 106.10 2gaq n ILE 7 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 62.75 62.74 2gaq n ILE 7 Cb 0.56 -3.12 0.00 0.00 0.00 0.00 0.00 39.64 37.08 2gaq n ILE 7 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2gaq n LEU 8 N -0.88 0.00 0.01 9.51 4.77 -1.26 -4.99 117.00 124.16 2gaq n LEU 8 Ca -0.15 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.94 2gaq n LEU 8 Cb 0.65 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 2gaq n LEU 8 CO 0.55 -0.04 -0.17 0.79 -1.33 0.00 0.00 177.39 177.19 2gaq n TRP 9 N -0.07 0.16 -0.03 -1.77 8.01 -1.26 -3.98 117.44 118.49 2gaq n TRP 9 Ca 0.00 0.05 -0.15 0.00 -1.31 0.00 0.00 57.50 56.08 2gaq n TRP 9 Cb 0.00 -0.36 -0.10 0.00 -2.01 0.00 0.00 31.31 28.85 2gaq n TRP 9 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2gaq h HIS 10 N 0.00 0.49 -0.01 -5.99 -0.00 -1.93 -2.44 115.15 105.28 2gaq h HIS 10 Ca 0.00 -0.23 0.02 0.00 -0.00 0.00 0.00 60.37 60.16 2gaq h HIS 10 Cb 0.74 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.06 2gaq h HIS 10 CO 0.00 0.98 -0.07 0.93 -0.00 0.00 0.00 177.93 179.77 2gaq h GLU 11 N -0.14 -0.12 -0.11 5.26 4.39 -1.78 0.04 114.58 122.13 2gaq h GLU 11 Ca -0.03 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2gaq h GLU 11 Cb 1.04 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2gaq h GLU 11 CO 0.08 -0.08 -0.06 0.00 -1.16 0.00 0.00 179.01 177.78 2gaq h MET 12 N -0.13 0.16 -0.12 2.33 -0.00 -1.69 -2.35 114.93 113.13 2gaq h MET 12 Ca 0.03 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.70 59.67 2gaq h MET 12 Cb 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.73 2gaq h MET 12 CO -0.09 0.23 -0.12 -1.49 -0.00 0.00 0.00 176.91 175.45 2gaq h TRP 13 N 0.15 0.19 0.14 -0.10 -0.00 -0.50 0.78 115.95 116.62 2gaq h TRP 13 Ca 0.04 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.91 2gaq h TRP 13 Cb 0.22 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.31 2gaq h TRP 13 CO 0.00 0.31 -0.22 1.25 -0.00 0.00 0.00 178.44 179.79 2gaq h HIS 14 N 0.18 -0.61 0.01 0.49 2.76 -0.75 0.35 115.15 117.58 2gaq h HIS 14 Ca 0.04 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.02 2gaq h HIS 14 Cb 0.33 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 2gaq h HIS 14 CO 0.00 -0.27 -0.92 0.93 -1.30 0.00 0.00 177.93 176.38 2gaq h GLU 15 N -0.38 0.09 -0.22 5.26 5.08 -1.67 -2.53 114.58 120.22 2gaq h GLU 15 Ca -0.02 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2gaq h GLU 15 Cb 0.35 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2gaq h GLU 15 CO -0.07 0.94 0.13 0.78 -1.00 0.00 0.00 179.01 179.80 2gaq h GLY 16 N 2.29 0.31 1.60 -3.84 0.00 0.80 0.79 103.07 105.04 2gaq h GLY 16 Ca -0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 47.33 46.90 2gaq h GLY 16 CO 0.13 0.12 -1.27 1.41 0.00 0.00 0.00 176.54 176.93 2gaq h LEU 17 N 0.30 0.35 -0.54 3.11 3.38 -0.34 -2.83 115.31 118.74 2gaq h LEU 17 Ca 0.08 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2gaq h LEU 17 Cb -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2gaq h LEU 17 CO -0.02 1.31 0.02 -0.08 0.09 0.00 0.00 178.44 179.77 2gaq h GLU 18 N 0.06 0.94 -0.12 1.13 4.81 -0.63 0.78 114.58 121.55 2gaq h GLU 18 Ca -0.14 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 58.67 2gaq h GLU 18 Cb 1.95 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 2gaq h GLU 18 CO 0.18 0.95 -0.51 1.49 -0.73 0.00 0.00 179.01 180.39 2gaq h GLU 19 N 0.82 0.33 0.00 1.92 4.57 0.39 0.06 114.58 122.68 2gaq h GLU 19 Ca 0.16 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2gaq h GLU 19 Cb 0.51 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2gaq h GLU 19 CO 0.02 0.77 -0.06 0.00 -1.18 0.00 0.00 179.01 178.56 2gaq h ALA 20 N 1.20 0.00 -0.16 2.92 0.00 -1.23 -3.31 119.26 118.68 2gaq h ALA 20 Ca 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2gaq h ALA 20 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2gaq h ALA 20 CO 0.08 -0.03 0.07 0.77 0.00 0.00 0.00 179.25 180.15 2gaq h SER 21 N -0.80 0.22 -1.02 0.00 0.02 0.56 -2.20 113.55 110.33 2gaq h SER 21 Ca -0.01 -0.13 0.25 0.00 -0.84 0.00 0.00 61.79 61.06 2gaq h SER 21 Cb 0.91 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.30 2gaq h SER 21 CO 0.01 0.29 0.65 -0.09 -1.14 0.00 0.00 176.83 176.55 2gaq h ARG 22 N 0.13 0.43 0.67 3.45 2.43 -1.15 0.58 114.38 120.92 2gaq h ARG 22 Ca 0.06 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2gaq h ARG 22 Cb 0.13 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2gaq h ARG 22 CO -0.01 0.29 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.25 2gaq h LEU 23 N 0.44 -1.07 -1.04 3.80 -0.00 -1.48 -2.16 115.31 113.80 2gaq h LEU 23 Ca 0.58 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.52 2gaq h LEU 23 Cb 1.38 0.32 0.00 0.00 -0.00 0.00 0.00 40.66 42.36 2gaq h LEU 23 CO -0.30 -0.64 0.00 0.22 -0.00 0.00 0.00 178.44 177.72 2gaq h TYR 24 N -1.03 0.00 -0.61 1.13 5.03 -0.93 0.29 116.97 120.85 2gaq h TYR 24 Ca -0.09 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.18 2gaq h TYR 24 Cb 0.82 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.08 2gaq h TYR 24 CO -0.08 0.00 0.23 0.35 -1.32 0.00 0.00 178.16 177.34 2gaq h PHE 25 N 0.00 0.95 0.00 -3.82 3.04 0.66 -3.40 116.94 114.37 2gaq h PHE 25 Ca 0.00 -0.08 -0.09 0.00 3.98 0.00 0.00 57.97 61.78 2gaq h PHE 25 Cb 0.55 -0.28 -0.09 0.00 2.56 0.00 0.00 35.95 38.68 2gaq h PHE 25 CO 0.00 0.76 -0.21 0.41 -2.02 0.00 0.00 178.31 177.25 2gaq n GLY 26 N -0.80 0.30 0.00 2.40 0.00 -0.88 -4.95 105.19 101.26 2gaq n GLY 26 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2gaq n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gaq n GLU 27 N 0.00 5.93 -3.28 1.61 4.07 0.97 -5.02 120.64 124.93 2gaq n GLU 27 Ca -0.20 -0.06 -0.19 0.00 -0.06 0.00 0.00 57.16 56.64 2gaq n GLU 27 Cb 0.59 -0.58 -0.02 0.00 -0.06 0.00 0.00 31.44 31.37 2gaq n GLU 27 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2gaq n ARG 28 N -0.88 -2.52 -3.46 5.31 0.63 -0.95 -4.86 116.66 109.92 2gaq n ARG 28 Ca 0.00 0.25 -0.27 0.00 -0.92 0.00 0.00 57.85 56.91 2gaq n ARG 28 Cb 0.01 -4.85 -0.09 0.00 0.45 0.00 0.00 32.46 27.98 2gaq n ARG 28 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2gaq n ASN 29 N -2.03 2.70 0.33 6.15 5.15 -1.24 -4.86 115.26 121.46 2gaq n ASN 29 Ca 0.01 -3.20 0.22 0.00 -0.60 0.00 0.00 54.58 51.02 2gaq n ASN 29 Cb 0.51 -0.67 1.17 0.00 -0.53 0.00 0.00 39.78 40.26 2gaq n ASN 29 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2gaq h VAL 30 N 3.26 0.02 -0.40 3.44 2.07 -1.89 -1.19 116.25 121.57 2gaq h VAL 30 Ca 0.17 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.57 2gaq h VAL 30 Cb 0.73 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2gaq h VAL 30 CO 0.72 0.00 -0.06 0.50 0.02 0.00 0.00 177.57 178.75 2gaq h LYS 31 N 0.00 0.74 0.62 1.57 1.63 -1.99 -2.36 116.57 116.78 2gaq h LYS 31 Ca -0.00 -0.27 -0.03 0.00 -0.85 0.00 0.00 60.65 59.50 2gaq h LYS 31 Cb 0.04 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2gaq h LYS 31 CO 0.00 0.86 -0.30 0.78 -3.45 0.00 0.00 179.45 177.35 2gaq h GLY 32 N 0.56 -0.86 0.50 5.01 0.00 -1.63 -2.84 103.07 103.80 2gaq h GLY 32 Ca 0.10 0.32 0.19 0.00 0.00 0.00 0.00 47.33 47.94 2gaq h GLY 32 CO 0.03 -0.31 0.54 0.00 0.00 0.00 0.00 176.54 176.80 2gaq h MET 33 N -0.99 0.26 0.00 4.80 -0.00 -1.59 0.89 114.93 118.30 2gaq h MET 33 Ca -0.08 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 59.60 2gaq h MET 33 Cb 0.68 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 32.22 2gaq h MET 33 CO 0.14 0.17 -0.01 0.35 -0.00 0.00 0.00 176.91 177.56 2gaq h PHE 34 N 0.27 0.00 0.15 -0.10 3.04 -1.17 0.20 116.94 119.33 2gaq h PHE 34 Ca 0.40 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 62.02 2gaq h PHE 34 Cb 1.14 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.66 2gaq h PHE 34 CO -0.00 0.01 -1.61 1.49 -2.02 0.00 0.00 178.31 176.18 2gaq h GLU 35 N 0.00 0.32 0.05 1.11 4.81 -0.78 -0.57 114.58 119.53 2gaq h GLU 35 Ca -0.00 -0.55 -0.23 0.00 -0.13 0.00 0.00 59.36 58.45 2gaq h GLU 35 Cb 0.15 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2gaq h GLU 35 CO 0.00 1.21 -1.07 -0.24 -0.73 0.00 0.00 179.01 178.18 2gaq h VAL 36 N 0.09 1.59 0.00 0.32 3.04 -1.46 -3.30 116.25 116.53 2gaq h VAL 36 Ca -0.28 -3.13 -0.09 0.00 -1.01 0.00 0.00 66.70 62.20 2gaq h VAL 36 Cb 2.06 2.81 -0.01 0.00 -2.01 0.00 0.00 31.29 34.14 2gaq h VAL 36 CO 0.18 0.90 -0.42 -0.07 -1.01 0.00 0.00 177.57 177.15 2gaq h LEU 37 N 0.05 0.00 -0.20 3.16 -0.00 -0.74 -3.16 115.31 114.41 2gaq h LEU 37 Ca -0.07 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.87 2gaq h LEU 37 Cb 1.80 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 42.39 2gaq h LEU 37 CO 0.16 0.42 -0.27 -0.08 -0.00 0.00 0.00 178.44 178.67 2gaq h GLU 38 N 0.00 -0.29 -0.22 1.13 4.81 -1.17 0.42 114.58 119.26 2gaq h GLU 38 Ca -0.00 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 2gaq h GLU 38 Cb 1.19 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2gaq h GLU 38 CO 0.05 -0.19 -0.57 -1.00 -0.73 0.00 0.00 179.01 176.57 2gaq h PRO 39 N -0.30 0.70 0.00 0.92 0.13 -1.72 -2.63 132.00 129.09 2gaq h PRO 39 Ca 0.12 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2gaq h PRO 39 Cb 0.49 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2gaq h PRO 39 CO -0.37 1.07 0.00 -0.07 -0.23 0.00 0.00 178.00 178.40 2gaq h LEU 40 N 0.53 0.00 0.03 1.56 3.38 -1.37 0.65 115.31 120.09 2gaq h LEU 40 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2gaq h LEU 40 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2gaq h LEU 40 CO 0.12 0.00 -0.37 1.12 0.09 0.00 0.00 178.44 179.39 2gaq h HIS 41 N 0.00 0.13 -0.12 1.13 2.07 0.04 -3.21 115.15 115.20 2gaq h HIS 41 Ca 0.00 -0.10 -0.20 0.00 -2.85 0.00 0.00 60.37 57.23 2gaq h HIS 41 Cb 0.11 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.09 2gaq h HIS 41 CO 0.00 1.14 -0.73 0.00 -3.07 0.00 0.00 177.93 175.27 2gaq h ALA 42 N -0.04 0.49 0.00 6.11 0.00 -0.79 -1.98 119.26 123.05 2gaq h ALA 42 Ca -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2gaq h ALA 42 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2gaq h ALA 42 CO 0.01 0.73 0.00 -1.33 0.00 0.00 0.00 179.25 178.66 2gaq n MET 43 N -3.89 0.01 -0.00 0.00 2.00 0.21 -0.72 117.12 114.74 2gaq n MET 43 Ca -0.05 0.31 0.06 0.00 0.00 0.00 0.00 57.70 58.01 2gaq n MET 43 Cb 0.71 -1.53 -0.07 0.00 0.00 0.00 0.00 33.22 32.33 2gaq n MET 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 2gaq n MET 44 N -1.56 2.76 -0.11 0.03 0.00 -1.03 -4.70 117.12 112.52 2gaq n MET 44 Ca 0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 57.70 57.57 2gaq n MET 44 Cb 0.14 -1.09 -0.14 0.00 0.00 0.00 0.00 33.22 32.14 2gaq n MET 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2gaq n GLU 45 N -1.35 0.67 -0.24 2.12 0.00 -0.47 -4.32 120.64 117.05 2gaq n GLU 45 Ca 0.02 0.10 0.25 0.00 0.00 0.00 0.00 57.16 57.53 2gaq n GLU 45 Cb 0.20 -1.54 0.62 0.00 0.00 0.00 0.00 31.44 30.72 2gaq n GLU 45 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2gaq h ARG 46 N 0.00 0.20 0.00 5.31 1.12 -1.20 -3.47 114.38 116.34 2gaq h ARG 46 Ca -0.55 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.31 2gaq h ARG 46 Cb 2.05 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.97 2gaq h ARG 46 CO -0.03 0.13 0.00 0.41 -3.11 0.00 0.00 179.97 177.38 2gaq n GLY 47 N -1.61 2.52 3.75 2.80 0.00 -1.26 -5.05 105.19 106.34 2gaq n GLY 47 Ca 0.21 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 2gaq n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gaq s PRO 48 N -4.09 2.44 0.00 1.61 0.04 -1.26 -5.03 135.00 128.70 2gaq s PRO 48 Ca 0.00 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2gaq s PRO 48 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2gaq s PRO 48 CO 0.00 -1.54 0.00 0.94 0.04 0.00 0.00 177.00 176.44 2gaq n GLN 49 N -2.79 0.00 0.00 4.56 -0.06 -1.26 -4.98 117.38 112.84 2gaq n GLN 49 Ca 0.11 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 2gaq n GLN 49 Cb 0.52 -0.18 0.00 0.00 -4.06 0.00 0.00 30.24 26.51 2gaq n GLN 49 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2gaq n THR 50 N -1.75 0.00 0.00 1.69 5.66 -1.26 -5.00 114.28 113.62 2gaq n THR 50 Ca 0.00 0.11 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2gaq n THR 50 Cb 0.00 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 2gaq n THR 50 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2gaq n LEU 51 N 0.00 0.00 0.00 1.09 0.00 -1.26 -5.02 117.00 111.81 2gaq n LEU 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2gaq n LEU 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2gaq n LEU 51 CO 0.00 0.00 -0.43 0.29 0.00 0.00 0.00 177.39 177.25 2gaq n LYS 52 N 0.00 0.26 -0.96 1.96 5.02 -1.26 -4.79 118.16 118.39 2gaq n LYS 52 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2gaq n LYS 52 Cb 0.00 -0.93 -0.10 0.00 -0.02 0.00 0.00 35.03 33.98 2gaq n LYS 52 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gaq n GLU 53 N -2.32 2.29 -2.67 1.97 4.71 -1.26 -3.83 120.64 119.53 2gaq n GLU 53 Ca 0.00 -1.30 -0.05 0.00 -0.01 0.00 0.00 57.16 55.80 2gaq n GLU 53 Cb 0.43 -2.24 0.05 0.00 -1.01 0.00 0.00 31.44 28.67 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2gaq n THR 54 N 3.08 0.00 0.09 2.62 -1.04 -1.26 -4.75 114.28 113.03 2gaq n THR 54 Ca 0.49 -0.89 0.03 0.00 -2.04 0.00 0.00 64.05 61.64 2gaq n THR 54 Cb 0.54 0.83 -0.04 0.00 -1.82 0.00 0.00 70.33 69.84 2gaq n THR 54 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2gaq n SER 55 N -0.26 2.45 -0.07 8.00 7.64 -1.25 -4.40 113.62 125.72 2gaq n SER 55 Ca -0.16 -0.23 -0.05 0.00 1.01 0.00 0.00 58.87 59.45 2gaq n SER 55 Cb 0.71 1.17 -0.12 0.00 -1.01 0.00 0.00 64.21 64.97 2gaq n SER 55 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2gaq n PHE 56 N -1.50 0.00 0.01 1.43 -1.74 -1.26 -4.02 117.46 110.38 2gaq n PHE 56 Ca -0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.80 2gaq n PHE 56 Cb 0.13 -0.70 0.06 0.00 1.52 0.00 0.00 39.48 40.49 2gaq n PHE 56 CO 0.00 0.00 0.00 -0.97 -0.56 0.00 0.00 176.76 175.23 2gaq h ASN 57 N 0.00 0.58 -0.17 5.98 -1.24 -1.83 -1.65 115.58 117.25 2gaq h ASN 57 Ca -0.36 -0.32 -0.15 0.00 0.71 0.00 0.00 56.30 56.18 2gaq h ASN 57 Cb 1.77 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.66 2gaq h ASN 57 CO 0.02 1.02 -0.50 1.56 -1.29 0.00 0.00 177.43 178.25 2gaq h GLN 58 N 0.40 0.64 -0.12 6.67 1.08 -1.77 -1.24 115.11 120.78 2gaq h GLN 58 Ca 0.01 -0.46 -0.15 0.00 -1.45 0.00 0.00 58.65 56.60 2gaq h GLN 58 Cb 1.10 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 2gaq h GLN 58 CO 0.10 1.08 -0.56 0.00 -0.95 0.00 0.00 178.83 178.50 2gaq h ALA 59 N 0.56 0.82 -2.80 3.87 0.00 -1.70 -3.34 119.26 116.68 2gaq h ALA 59 Ca -0.01 -0.52 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 2gaq h ALA 59 Cb 1.11 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.41 2gaq h ALA 59 CO 0.11 0.70 -0.70 0.66 0.00 0.00 0.00 179.25 180.01 2gaq n TYR 60 N -3.92 1.97 0.34 0.00 4.02 -0.62 -4.94 117.16 114.01 2gaq n TYR 60 Ca -0.03 -3.99 0.20 0.00 -0.01 0.00 0.00 57.90 54.07 2gaq n TYR 60 Cb 0.60 -0.35 1.06 0.00 -0.02 0.00 0.00 39.34 40.63 2gaq n TYR 60 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2gaq h GLY 61 N 5.36 0.00 -0.38 2.72 0.00 -1.35 0.76 103.07 110.18 2gaq h GLY 61 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2gaq h GLY 61 CO 0.62 0.00 -0.40 -0.96 0.00 0.00 0.00 176.54 175.79 2gaq n ARG 62 N -3.01 0.98 0.00 4.80 0.00 -1.26 -4.32 116.66 113.84 2gaq n ARG 62 Ca -0.03 -0.72 0.00 0.00 -0.00 0.00 0.00 57.85 57.10 2gaq n ARG 62 Cb 0.19 -1.49 0.00 0.00 -0.00 0.00 0.00 32.46 31.17 2gaq n ARG 62 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2gaq n ASP 63 N -0.38 0.00 -0.56 2.89 5.75 0.26 -3.58 116.55 120.92 2gaq n ASP 63 Ca 0.10 0.00 0.45 0.00 -0.01 0.00 0.00 54.79 55.33 2gaq n ASP 63 Cb 0.41 0.00 0.75 0.00 -1.03 0.00 0.00 41.12 41.24 2gaq n ASP 63 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2gaq h LEU 64 N 0.00 0.10 -0.62 -2.12 -0.00 -1.87 0.16 115.31 110.96 2gaq h LEU 64 Ca 0.00 0.07 0.10 0.00 -0.00 0.00 0.00 57.88 58.05 2gaq h LEU 64 Cb 0.00 0.07 -0.08 0.00 -0.00 0.00 0.00 40.66 40.65 2gaq h LEU 64 CO 0.00 -0.10 0.21 -0.03 -0.00 0.00 0.00 178.44 178.52 2gaq h MET 65 N 0.02 0.36 0.03 1.13 4.05 -1.81 0.56 114.93 119.27 2gaq h MET 65 Ca 0.87 -0.02 -0.31 0.00 -0.28 0.00 0.00 59.70 59.96 2gaq h MET 65 Cb 3.16 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 33.83 2gaq h MET 65 CO -0.21 0.24 -1.81 -1.91 0.23 0.00 0.00 176.91 173.45 2gaq n GLU 66 N -5.03 0.66 0.00 0.39 2.13 -0.03 -0.97 120.64 117.80 2gaq n GLU 66 Ca 0.09 0.27 0.04 0.00 0.66 0.00 0.00 57.16 58.23 2gaq n GLU 66 Cb 0.30 -1.76 0.18 0.00 0.27 0.00 0.00 31.44 30.43 2gaq n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gaq n ALA 67 N -2.66 1.43 -0.00 4.31 0.00 0.37 -2.45 120.51 121.51 2gaq n ALA 67 Ca -0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.20 2gaq n ALA 67 Cb 1.06 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 19.38 2gaq n ALA 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2gaq n GLN 68 N -1.41 2.21 -0.41 0.00 7.27 0.19 -4.76 117.38 120.47 2gaq n GLN 68 Ca 0.03 0.00 0.34 0.00 0.07 0.00 0.00 57.00 57.44 2gaq n GLN 68 Cb 0.08 -1.00 0.65 0.00 2.41 0.00 0.00 30.24 32.38 2gaq n GLN 68 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2gaq h GLU 69 N 0.00 0.15 -1.86 3.69 5.08 -0.71 0.34 114.58 121.27 2gaq h GLU 69 Ca -0.00 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 2gaq h GLU 69 Cb 1.00 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.09 2gaq h GLU 69 CO -0.00 0.10 0.21 -2.67 -1.00 0.00 0.00 179.01 175.64 2gaq n TRP 70 N -4.46 1.11 0.01 4.33 2.14 -1.23 -4.53 117.44 114.80 2gaq n TRP 70 Ca 0.31 -1.77 -0.04 0.00 2.07 0.00 0.00 57.50 58.07 2gaq n TRP 70 Cb 1.28 -1.21 -0.03 0.00 -0.81 0.00 0.00 31.31 30.54 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2gaq h ARG 72 N -1.02 0.00 0.07 0.00 0.11 -1.83 0.47 114.38 112.17 2gaq h ARG 72 Ca -0.01 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.85 2gaq h ARG 72 Cb 0.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 2gaq h ARG 72 CO 0.02 0.00 -1.12 0.87 0.10 0.00 0.00 179.97 179.84 2gaq h LYS 73 N 0.00 0.14 0.00 0.08 1.57 -1.86 -1.97 116.57 114.53 2gaq h LYS 73 Ca 0.02 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2gaq h LYS 73 Cb 0.13 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2gaq h LYS 73 CO -0.00 1.12 -0.18 -0.92 -0.57 0.00 0.00 179.45 178.90 2gaq h TYR 74 N -0.59 0.00 0.07 -1.35 3.20 0.51 0.44 116.97 119.25 2gaq h TYR 74 Ca -0.26 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.31 2gaq h TYR 74 Cb 1.52 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.76 2gaq h TYR 74 CO 0.15 0.18 -1.63 0.00 -1.64 0.00 0.00 178.16 175.22 2gaq h MET 75 N 0.00 0.16 0.00 1.82 -0.00 -0.18 -2.91 114.93 113.82 2gaq h MET 75 Ca -0.00 -0.27 -0.30 0.00 -0.00 0.00 0.00 59.70 59.13 2gaq h MET 75 Cb 0.44 0.10 -0.05 0.00 -0.00 0.00 0.00 31.60 32.09 2gaq h MET 75 CO 0.02 0.93 -2.06 1.17 -0.00 0.00 0.00 176.91 176.98 2gaq n LYS 76 N -3.33 0.43 0.07 -0.10 4.81 -0.74 -4.58 118.16 114.73 2gaq n LYS 76 Ca -0.18 0.15 -0.16 0.00 -0.87 0.00 0.00 58.31 57.25 2gaq n LYS 76 Cb 1.04 -1.27 -0.07 0.00 0.02 0.00 0.00 35.03 34.75 2gaq n LYS 76 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2gaq h SER 77 N -0.38 0.61 -4.15 3.14 0.87 -0.35 -3.47 113.55 109.82 2gaq h SER 77 Ca -0.45 -0.51 -0.17 0.00 -1.23 0.00 0.00 61.79 59.42 2gaq h SER 77 Cb 1.52 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2gaq h SER 77 CO -0.19 1.32 -0.22 0.61 -0.53 0.00 0.00 176.83 177.83 2gaq n GLY 78 N 1.09 -0.48 3.67 5.77 0.00 -0.07 -4.86 105.19 110.32 2gaq n GLY 78 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2gaq n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gaq s ASN 79 N -2.02 6.84 0.67 1.61 4.22 -1.26 -4.92 114.94 120.08 2gaq s ASN 79 Ca 0.00 1.02 0.32 0.00 -2.14 0.00 0.00 52.86 52.06 2gaq s ASN 79 Cb 0.00 -2.40 1.74 0.00 1.28 0.00 0.00 41.25 41.87 2gaq s ASN 79 CO 0.00 -0.29 1.98 0.58 -2.04 0.00 0.00 177.10 177.34 2gaq h VAL 80 N 5.10 0.01 -0.02 3.54 2.07 -1.98 0.17 116.25 125.14 2gaq h VAL 80 Ca -0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2gaq h VAL 80 Cb 1.15 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2gaq h VAL 80 CO 0.79 0.00 0.14 0.11 0.02 0.00 0.00 177.57 178.63 2gaq h LYS 81 N 0.00 0.00 0.01 1.57 6.56 -1.99 0.73 116.57 123.45 2gaq h LYS 81 Ca 0.00 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.25 2gaq h LYS 81 Cb 0.58 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.18 2gaq h LYS 81 CO -0.00 0.00 -2.12 -0.25 -2.06 0.00 0.00 179.45 175.02 2gaq n ASP 82 N -3.08 0.80 -0.03 0.86 9.92 0.59 -4.10 116.55 121.51 2gaq n ASP 82 Ca -0.02 0.15 -0.14 0.00 -0.53 0.00 0.00 54.79 54.25 2gaq n ASP 82 Cb 0.21 0.24 -0.11 0.00 -0.64 0.00 0.00 41.12 40.82 2gaq n ASP 82 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2gaq h LEU 83 N 0.01 0.16 -1.97 0.64 -0.00 -0.73 0.36 115.31 113.77 2gaq h LEU 83 Ca -0.45 -0.70 0.30 0.00 -0.00 0.00 0.00 57.88 57.04 2gaq h LEU 83 Cb 2.10 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 42.67 2gaq h LEU 83 CO 0.04 0.83 0.75 0.00 -0.00 0.00 0.00 178.44 180.07 2gaq h THR 84 N -0.51 0.48 0.03 0.22 1.03 0.10 0.76 112.91 115.02 2gaq h THR 84 Ca -0.01 -0.01 -0.26 0.00 -0.01 0.00 0.00 66.41 66.13 2gaq h THR 84 Cb 0.84 0.46 -0.03 0.00 -1.07 0.00 0.00 68.15 68.35 2gaq h THR 84 CO 0.03 0.00 -1.39 1.56 -0.01 0.00 0.00 175.52 175.71 2gaq h GLN 85 N 0.02 0.06 -0.14 0.00 1.08 -1.68 -3.32 115.11 111.13 2gaq h GLN 85 Ca 0.50 -0.10 0.04 0.00 -1.45 0.00 0.00 58.65 57.64 2gaq h GLN 85 Cb 1.98 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.45 2gaq h GLN 85 CO -0.02 1.05 0.10 0.00 -0.95 0.00 0.00 178.83 179.01 2gaq h ALA 86 N -0.36 2.10 -0.56 3.87 0.00 0.12 -0.19 119.26 124.23 2gaq h ALA 86 Ca -0.36 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2gaq h ALA 86 Cb 1.46 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2gaq h ALA 86 CO -0.14 -0.17 0.13 -1.49 0.00 0.00 0.00 179.25 177.57 2gaq h TRP 87 N 0.00 0.94 -0.44 0.00 -0.00 0.32 0.81 115.95 117.58 2gaq h TRP 87 Ca 0.07 -0.12 -0.13 0.00 -0.00 0.00 0.00 58.89 58.72 2gaq h TRP 87 Cb 0.27 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 2gaq h TRP 87 CO 0.00 0.82 -0.21 0.22 -0.00 0.00 0.00 178.44 179.26 2gaq h ASP 88 N 0.80 0.95 -0.36 -3.49 1.82 -1.19 0.17 116.42 115.11 2gaq h ASP 88 Ca 0.17 -0.40 -0.15 0.00 -0.39 0.00 0.00 57.03 56.26 2gaq h ASP 88 Cb 0.35 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2gaq h ASP 88 CO 0.00 1.14 -0.35 -0.07 -1.61 0.00 0.00 179.24 178.36 2gaq h LEU 89 N 0.76 0.96 -0.33 2.28 3.38 -0.31 0.53 115.31 122.58 2gaq h LEU 89 Ca 0.10 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 2gaq h LEU 89 Cb 0.79 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2gaq h LEU 89 CO 0.06 1.21 0.08 1.88 0.09 0.00 0.00 178.44 181.76 2gaq h TYR 90 N 0.75 0.55 -0.04 1.13 0.05 0.82 0.14 116.97 120.37 2gaq h TYR 90 Ca 0.07 -0.07 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 2gaq h TYR 90 Cb 0.93 -0.16 0.01 0.00 1.01 0.00 0.00 36.73 38.52 2gaq h TYR 90 CO 0.06 0.57 -0.39 -0.92 -1.05 0.00 0.00 178.16 176.43 2gaq h TYR 91 N 0.37 0.47 -0.91 4.88 3.20 -0.54 0.29 116.97 124.73 2gaq h TYR 91 Ca 0.10 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2gaq h TYR 91 Cb 0.30 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 2gaq h TYR 91 CO 0.02 1.00 0.57 1.25 -1.64 0.00 0.00 178.16 179.35 2gaq h HIS 92 N -0.19 1.17 0.24 -3.82 2.76 0.08 -3.01 115.15 112.38 2gaq h HIS 92 Ca -0.04 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 2gaq h HIS 92 Cb 1.07 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.64 2gaq h HIS 92 CO 0.14 0.76 -0.11 -0.24 -1.30 0.00 0.00 177.93 177.18 2gaq h VAL 93 N 1.24 0.37 0.00 5.26 3.04 -0.77 -3.44 116.25 121.96 2gaq h VAL 93 Ca 0.33 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2gaq h VAL 93 Cb -0.09 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 2gaq h VAL 93 CO -0.07 0.10 0.00 0.33 -1.01 0.00 0.00 177.57 176.93 2gaq n PHE 94 N -4.98 0.00 -0.23 3.17 7.35 0.10 0.58 117.46 123.44 2gaq n PHE 94 Ca -0.06 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.79 2gaq n PHE 94 Cb 0.21 0.00 0.30 0.00 0.35 0.00 0.00 39.48 40.34 2gaq n PHE 94 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2gaq n ARG 95 N 0.00 -0.05 0.37 -4.13 0.63 -1.26 0.84 116.66 113.06 2gaq n ARG 95 Ca 0.00 1.01 -0.15 0.00 -0.92 0.00 0.00 57.85 57.79 2gaq n ARG 95 Cb 0.00 -1.69 -0.07 0.00 0.45 0.00 0.00 32.46 31.15 2gaq n ARG 95 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gaq h ARG 96 N 0.00 -0.91 0.00 -0.14 2.47 -0.16 -1.67 114.38 113.97 2gaq h ARG 96 Ca 0.50 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.28 2gaq h ARG 96 Cb 1.20 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 2gaq h ARG 96 CO -0.60 -0.61 0.00 0.44 0.56 0.00 0.00 179.97 179.76 2gaq n ILE 97 N -4.60 1.12 0.00 2.04 -6.64 0.71 -3.23 119.36 108.76 2gaq n ILE 97 Ca -0.12 0.29 0.00 0.00 -1.77 0.00 0.00 62.75 61.15 2gaq n ILE 97 Cb 0.37 -1.09 0.00 0.00 -1.44 0.00 0.00 39.64 37.49 2gaq n ILE 97 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 2gaq n SER 98 N -1.56 0.00 -2.68 7.28 3.41 0.25 -2.81 113.62 117.50 2gaq n SER 98 Ca 0.03 0.33 -0.05 0.00 -0.26 0.00 0.00 58.87 58.91 2gaq n SER 98 Cb 0.15 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 63.97 2gaq n SER 98 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2gaq n LYS 99 N -1.08 0.69 0.00 4.33 2.85 -0.66 -4.57 118.16 119.72 2gaq n LYS 99 Ca 0.00 -1.29 0.00 0.00 -1.05 0.00 0.00 58.31 55.97 2gaq n LYS 99 Cb 0.00 -0.09 0.00 0.00 -0.65 0.00 0.00 35.03 34.29 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29