#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 -1.07 -0.11 -4.62 -0.00 -1.26 -4.92 117.00 105.02 2gaq n LEU 2 Ca 0.00 -0.57 -0.18 0.00 -0.00 0.00 0.00 56.01 55.26 2gaq n LEU 2 Cb 0.00 -0.94 -0.06 0.00 -0.00 0.00 0.00 43.42 42.42 2gaq n LEU 2 CO 0.00 0.24 -1.01 0.00 -0.00 0.00 0.00 177.39 176.62 2gaq n ILE 3 N -1.71 1.48 0.00 1.47 0.00 -1.26 -4.75 119.36 114.59 2gaq n ILE 3 Ca -0.19 -0.09 0.00 0.00 0.00 0.00 0.00 62.75 62.47 2gaq n ILE 3 Cb 0.42 -2.11 0.00 0.00 0.00 0.00 0.00 39.64 37.95 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 -4.32 0.00 0.06 9.51 -4.01 -1.26 -4.78 116.66 111.87 2gaq n ARG 4 Ca -0.32 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 56.49 2gaq n ARG 4 Cb 0.67 -0.62 0.30 0.00 -3.04 0.00 0.00 32.46 29.77 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.24 -3.04 0.00 0.00 177.63 174.35 2gaq h VAL 5 N 0.00 1.22 -5.43 8.89 3.04 -1.99 -3.47 116.25 118.51 2gaq h VAL 5 Ca 0.00 -1.00 -0.38 0.00 -1.01 0.00 0.00 66.70 64.31 2gaq h VAL 5 Cb 0.40 1.25 0.12 0.00 -2.01 0.00 0.00 31.29 31.06 2gaq h VAL 5 CO 0.00 0.32 -0.63 0.00 -1.01 0.00 0.00 177.57 176.24 2gaq n ALA 6 N -2.48 -1.20 -2.61 3.17 0.00 -1.26 -3.81 120.51 112.31 2gaq n ALA 6 Ca -0.00 0.37 -0.25 0.00 0.00 0.00 0.00 53.44 53.56 2gaq n ALA 6 Cb 0.32 -5.10 0.02 0.00 0.00 0.00 0.00 19.45 14.70 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 -4.83 -2.43 -0.51 0.00 0.00 -1.26 -4.91 119.36 105.42 2gaq n ILE 7 Ca -0.00 0.06 -0.30 0.00 0.00 0.00 0.00 62.75 62.50 2gaq n ILE 7 Cb 0.56 -2.25 0.27 0.00 0.00 0.00 0.00 39.64 38.23 2gaq n ILE 7 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2gaq s LEU 8 N -1.55 -0.50 -0.07 9.51 1.43 -1.25 -4.99 118.68 121.26 2gaq s LEU 8 Ca 0.24 0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 54.21 2gaq s LEU 8 Cb -0.02 -2.50 -0.29 0.00 0.03 0.00 0.00 46.19 43.41 2gaq s LEU 8 CO 0.55 -4.98 0.57 -0.50 0.23 0.00 0.00 176.35 172.21 2gaq h TRP 9 N -3.16 0.59 -1.07 0.29 6.55 -1.91 -3.31 115.95 113.93 2gaq h TRP 9 Ca -0.47 -0.43 0.28 0.00 0.95 0.00 0.00 58.89 59.22 2gaq h TRP 9 Cb 1.33 -0.02 -0.08 0.00 -0.86 0.00 0.00 29.16 29.53 2gaq h TRP 9 CO -2.44 1.68 0.71 1.25 -1.05 0.00 0.00 178.44 178.59 2gaq h HIS 10 N 0.09 0.50 0.26 0.49 -0.00 -1.94 0.17 115.15 114.71 2gaq h HIS 10 Ca -0.37 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.01 2gaq h HIS 10 Cb 2.07 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 29.34 2gaq h HIS 10 CO 0.09 0.04 -0.12 0.93 -0.00 0.00 0.00 177.93 178.86 2gaq h GLU 11 N 0.29 -0.33 -0.53 5.26 4.39 -1.92 -2.99 114.58 118.75 2gaq h GLU 11 Ca 0.58 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 60.21 2gaq h GLU 11 Cb 1.68 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.39 2gaq h GLU 11 CO -0.23 -0.04 -0.04 0.00 -1.16 0.00 0.00 179.01 177.55 2gaq h MET 12 N -0.63 0.96 -0.86 2.33 -0.00 -1.30 -3.14 114.93 112.30 2gaq h MET 12 Ca -0.04 -0.33 0.34 0.00 -0.00 0.00 0.00 59.70 59.68 2gaq h MET 12 Cb 0.45 -0.08 -0.16 0.00 -0.00 0.00 0.00 31.60 31.81 2gaq h MET 12 CO 0.06 0.99 0.37 0.91 -0.00 0.00 0.00 176.91 179.24 2gaq n TRP 13 N -4.24 0.91 0.00 -0.10 5.03 0.48 0.12 117.44 119.64 2gaq n TRP 13 Ca 0.01 1.03 -0.00 0.00 3.03 0.00 0.00 57.50 61.57 2gaq n TRP 13 Cb 0.35 -1.37 -0.00 0.00 -1.03 0.00 0.00 31.31 29.26 2gaq n TRP 13 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2gaq h HIS 14 N 0.00 -0.01 -0.31 -5.99 3.86 -1.54 0.27 115.15 111.45 2gaq h HIS 14 Ca 0.69 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.74 2gaq h HIS 14 Cb 1.76 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.23 2gaq h HIS 14 CO -0.10 -0.00 -0.44 1.05 0.86 0.00 0.00 177.93 179.29 2gaq h GLU 15 N -0.00 0.79 -0.65 2.45 4.11 -0.88 0.11 114.58 120.51 2gaq h GLU 15 Ca 0.00 -0.44 0.07 0.00 0.07 0.00 0.00 59.36 59.06 2gaq h GLU 15 Cb 0.00 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2gaq h GLU 15 CO -0.00 1.07 0.43 0.78 0.07 0.00 0.00 179.01 181.36 2gaq h GLY 16 N 0.87 0.78 1.35 1.06 0.00 0.11 0.90 103.07 108.15 2gaq h GLY 16 Ca 0.04 -0.24 -0.26 0.00 0.00 0.00 0.00 47.33 46.86 2gaq h GLY 16 CO 0.10 0.17 -1.45 1.41 0.00 0.00 0.00 176.54 176.77 2gaq h LEU 17 N 0.60 0.02 0.10 3.11 3.38 -0.35 -3.27 115.31 118.90 2gaq h LEU 17 Ca 0.29 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2gaq h LEU 17 Cb 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2gaq h LEU 17 CO -0.09 1.02 -0.05 -0.08 0.09 0.00 0.00 178.44 179.33 2gaq h GLU 18 N 0.00 -0.13 0.00 1.13 4.57 0.12 0.87 114.58 121.13 2gaq h GLU 18 Ca -0.19 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2gaq h GLU 18 Cb 1.93 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.55 2gaq h GLU 18 CO 0.10 0.31 0.00 1.49 -1.18 0.00 0.00 179.01 179.73 2gaq h GLU 19 N -0.63 0.00 0.00 1.92 4.57 0.56 0.42 114.58 121.41 2gaq h GLU 19 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2gaq h GLU 19 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2gaq h GLU 19 CO 0.02 0.00 -0.28 0.00 -1.18 0.00 0.00 179.01 177.58 2gaq n ALA 20 N -1.96 0.24 0.17 2.92 0.00 -0.97 -4.02 120.51 116.89 2gaq n ALA 20 Ca -0.02 -0.31 0.19 0.00 0.00 0.00 0.00 53.44 53.29 2gaq n ALA 20 Cb 0.08 0.01 0.79 0.00 0.00 0.00 0.00 19.45 20.33 2gaq n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gaq h SER 21 N -0.44 0.00 0.79 0.00 4.64 0.99 0.40 113.55 119.93 2gaq h SER 21 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2gaq h SER 21 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2gaq h SER 21 CO 0.00 0.00 -0.67 -0.09 -0.87 0.00 0.00 176.83 175.20 2gaq h ARG 22 N 0.00 0.00 -0.12 4.77 2.43 -0.35 0.40 114.38 121.51 2gaq h ARG 22 Ca 0.13 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.08 2gaq h ARG 22 Cb 0.82 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2gaq h ARG 22 CO -0.00 0.67 -0.80 -0.07 -1.51 0.00 0.00 179.97 178.25 2gaq h LEU 23 N 0.00 0.86 0.18 3.80 3.38 -0.36 -0.81 115.31 122.36 2gaq h LEU 23 Ca -0.01 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 2gaq h LEU 23 Cb 1.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2gaq h LEU 23 CO 0.09 1.37 -0.09 0.22 0.09 0.00 0.00 178.44 180.12 2gaq h TYR 24 N 0.48 -0.23 0.00 1.13 3.20 -1.37 0.22 116.97 120.40 2gaq h TYR 24 Ca -0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2gaq h TYR 24 Cb 1.43 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.77 2gaq h TYR 24 CO 0.08 -0.03 0.00 0.34 -1.64 0.00 0.00 178.16 176.91 2gaq n PHE 25 N -4.93 0.00 0.00 -3.82 7.35 0.14 -0.14 117.46 116.06 2gaq n PHE 25 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 2gaq n PHE 25 Cb 0.15 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.98 2gaq n PHE 25 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2gaq n GLY 26 N 0.31 0.00 0.56 7.13 0.00 -0.31 -4.89 105.19 107.99 2gaq n GLY 26 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2gaq n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gaq n GLU 27 N -2.05 0.00 -3.04 1.61 0.28 0.00 -5.00 120.64 112.44 2gaq n GLU 27 Ca 0.00 -0.95 -0.14 0.00 -0.16 0.00 0.00 57.16 55.92 2gaq n GLU 27 Cb 0.41 -0.41 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 2gaq n GLU 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2gaq n ARG 28 N 0.03 -2.15 -2.64 3.44 1.74 0.81 -4.82 116.66 113.07 2gaq n ARG 28 Ca 0.00 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.70 2gaq n ARG 28 Cb 0.70 -4.28 0.01 0.00 -1.02 0.00 0.00 32.46 27.87 2gaq n ARG 28 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2gaq n ASN 29 N -1.69 5.87 -0.29 0.55 5.15 0.55 -4.70 115.26 120.70 2gaq n ASN 29 Ca 0.04 -3.27 -0.03 0.00 -0.60 0.00 0.00 54.58 50.71 2gaq n ASN 29 Cb 0.45 -1.37 0.08 0.00 -0.53 0.00 0.00 39.78 38.42 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 3.51 1.17 -0.83 3.44 2.07 -1.88 0.10 116.25 123.85 2gaq h VAL 30 Ca 0.32 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.56 2gaq h VAL 30 Cb 0.60 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2gaq h VAL 30 CO 1.48 0.19 0.54 0.50 0.02 0.00 0.00 177.57 180.30 2gaq h LYS 31 N 1.03 0.84 0.29 1.57 3.11 -1.98 -1.26 116.57 120.18 2gaq h LYS 31 Ca 0.30 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.08 2gaq h LYS 31 Cb -0.07 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 30.98 2gaq h LYS 31 CO -0.08 0.56 -0.14 0.78 -2.81 0.00 0.00 179.45 177.75 2gaq h GLY 32 N 0.87 -0.41 1.15 5.01 0.00 -1.50 -3.20 103.07 104.99 2gaq h GLY 32 Ca 0.36 0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.94 2gaq h GLY 32 CO -0.14 -0.15 0.34 0.00 0.00 0.00 0.00 176.54 176.60 2gaq h MET 33 N -0.82 0.26 0.00 4.80 -0.00 -0.62 0.84 114.93 119.39 2gaq h MET 33 Ca -0.04 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2gaq h MET 33 Cb 0.51 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 32.05 2gaq h MET 33 CO 0.07 0.17 -0.01 0.35 -0.00 0.00 0.00 176.91 177.49 2gaq h PHE 34 N 0.27 0.00 0.22 -0.10 3.57 -1.23 0.11 116.94 119.78 2gaq h PHE 34 Ca 0.23 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.39 2gaq h PHE 34 Cb 0.57 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.33 2gaq h PHE 34 CO -0.00 0.01 -1.60 1.49 -2.23 0.00 0.00 178.31 175.98 2gaq h GLU 35 N 0.00 0.46 0.00 1.11 4.81 -0.84 -0.72 114.58 119.40 2gaq h GLU 35 Ca -0.00 -0.79 -0.00 0.00 -0.13 0.00 0.00 59.36 58.44 2gaq h GLU 35 Cb 0.07 0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2gaq h GLU 35 CO 0.00 1.37 -0.34 -0.24 -0.73 0.00 0.00 179.01 179.07 2gaq h VAL 36 N 0.13 0.01 0.00 0.32 3.04 -1.47 -3.24 116.25 115.03 2gaq h VAL 36 Ca -0.29 -1.01 -0.02 0.00 -1.01 0.00 0.00 66.70 64.37 2gaq h VAL 36 Cb 2.13 1.84 -0.00 0.00 -2.01 0.00 0.00 31.29 33.25 2gaq h VAL 36 CO 0.23 0.00 -0.94 -0.07 -1.01 0.00 0.00 177.57 175.78 2gaq h LEU 37 N 0.00 0.00 -0.34 3.16 -0.00 -0.90 -3.32 115.31 113.91 2gaq h LEU 37 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.95 2gaq h LEU 37 Cb 1.00 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.59 2gaq h LEU 37 CO 0.00 0.06 -0.18 -0.08 -0.00 0.00 0.00 178.44 178.24 2gaq h GLU 38 N 0.00 -0.13 0.00 1.13 4.81 -1.15 0.15 114.58 119.39 2gaq h GLU 38 Ca -0.01 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2gaq h GLU 38 Cb 1.06 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2gaq h GLU 38 CO 0.00 -0.09 -0.13 -1.00 -0.73 0.00 0.00 179.01 177.07 2gaq h PRO 39 N -0.13 0.00 0.00 0.92 0.13 -1.73 -2.65 132.00 128.54 2gaq h PRO 39 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2gaq h PRO 39 Cb 0.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 2gaq h PRO 39 CO -0.42 0.13 0.00 1.28 -0.23 0.00 0.00 178.00 178.76 2gaq n LEU 40 N -3.28 0.21 -0.07 1.56 7.99 0.38 0.84 117.00 124.64 2gaq n LEU 40 Ca 0.00 0.54 -0.13 0.00 -0.01 0.00 0.00 56.01 56.41 2gaq n LEU 40 Cb 0.38 -0.49 -0.14 0.00 -0.11 0.00 0.00 43.42 43.06 2gaq n LEU 40 CO 0.31 -0.23 -1.02 1.57 -1.51 0.00 0.00 177.39 176.51 2gaq n HIS 41 N -1.72 0.41 0.12 -1.77 -0.00 -0.40 -4.25 115.22 107.61 2gaq n HIS 41 Ca 0.04 0.12 -0.22 0.00 0.46 0.00 0.00 57.72 58.13 2gaq n HIS 41 Cb 0.26 -1.07 -0.15 0.00 -0.12 0.00 0.00 29.99 28.91 2gaq n HIS 41 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2gaq h ALA 42 N 0.61 -0.02 0.00 1.57 0.00 -1.12 -2.40 119.26 117.90 2gaq h ALA 42 Ca -0.48 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.50 2gaq h ALA 42 Cb 2.08 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.06 2gaq h ALA 42 CO 0.02 0.85 0.00 -1.33 0.00 0.00 0.00 179.25 178.79 2gaq n MET 43 N -3.63 0.00 -0.00 0.00 2.00 0.25 -0.13 117.12 115.61 2gaq n MET 43 Ca -0.16 0.42 0.01 0.00 0.00 0.00 0.00 57.70 57.97 2gaq n MET 43 Cb 1.08 -1.51 0.01 0.00 0.00 0.00 0.00 33.22 32.80 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 -1.52 -0.19 -0.03 0.03 0.00 -1.14 -4.76 117.12 109.51 2gaq n MET 44 Ca 0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 57.70 56.93 2gaq n MET 44 Cb 0.06 -1.03 -0.04 0.00 0.00 0.00 0.00 33.22 32.21 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 0.02 2.19 -0.35 2.12 2.13 -0.27 -4.59 120.64 121.90 2gaq n GLU 45 Ca 0.01 0.01 0.35 0.00 0.66 0.00 0.00 57.16 58.19 2gaq n GLU 45 Cb 0.08 -1.13 0.73 0.00 0.27 0.00 0.00 31.44 31.38 2gaq n GLU 45 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2gaq h ARG 46 N 0.00 0.04 0.00 5.31 2.43 -0.80 -3.46 114.38 117.90 2gaq h ARG 46 Ca -0.14 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2gaq h ARG 46 Cb 1.29 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2gaq h ARG 46 CO -0.00 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 2gaq n GLY 47 N -1.74 3.65 3.77 2.80 0.00 -1.26 -5.08 105.19 107.32 2gaq n GLY 47 Ca 0.27 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.76 4.26 0.00 1.61 0.04 -1.26 -5.00 135.00 129.89 2gaq s PRO 48 Ca 0.00 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2gaq s PRO 48 Cb 0.00 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2gaq s PRO 48 CO 0.00 -0.19 0.00 0.94 0.04 0.00 0.00 177.00 177.79 2gaq n GLN 49 N 0.54 0.00 0.00 4.56 7.27 -1.26 -4.97 117.38 123.51 2gaq n GLN 49 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 2gaq n GLN 49 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 2gaq n GLN 49 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2gaq n THR 50 N 0.00 0.00 0.00 1.69 5.66 -1.26 -4.99 114.28 115.38 2gaq n THR 50 Ca 0.00 0.27 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 2gaq n THR 50 Cb 0.00 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 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 -5.04 117.00 111.79 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 0.00 -1.55 1.96 5.02 -1.26 -4.83 118.16 117.50 2gaq n LYS 52 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2gaq n LYS 52 Cb 0.00 -0.51 -0.02 0.00 -0.02 0.00 0.00 35.03 34.48 2gaq n LYS 52 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2gaq n GLU 53 N -2.83 3.89 -2.53 1.97 0.28 -1.26 -4.02 120.64 116.14 2gaq n GLU 53 Ca 0.00 -2.61 -0.02 0.00 -0.16 0.00 0.00 57.16 54.36 2gaq n GLU 53 Cb 0.43 -2.79 0.11 0.00 1.43 0.00 0.00 31.44 30.62 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2gaq n THR 54 N 3.17 0.00 -0.55 3.84 -1.04 -1.26 -4.78 114.28 113.65 2gaq n THR 54 Ca 0.72 -0.91 0.07 0.00 -2.04 0.00 0.00 64.05 61.88 2gaq n THR 54 Cb 0.25 0.96 0.20 0.00 -1.82 0.00 0.00 70.33 69.91 2gaq n THR 54 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2gaq n SER 55 N -1.42 3.34 0.00 8.00 3.41 -1.26 -4.04 113.62 121.65 2gaq n SER 55 Ca -0.19 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.95 2gaq n SER 55 Cb 0.86 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2gaq n SER 55 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2gaq n PHE 56 N 0.01 0.00 0.20 7.33 -1.74 -1.26 -4.36 117.46 117.64 2gaq n PHE 56 Ca 0.16 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 57.11 2gaq n PHE 56 Cb 0.63 0.09 0.38 0.00 1.52 0.00 0.00 39.48 42.11 2gaq n PHE 56 CO 0.00 0.00 0.00 -2.95 -0.56 0.00 0.00 176.76 173.25 2gaq h ASN 57 N 0.00 0.00 1.02 5.98 -1.07 -1.80 0.30 115.58 120.01 2gaq h ASN 57 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.19 2gaq h ASN 57 Cb 0.52 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.75 2gaq h ASN 57 CO 0.00 0.34 -0.85 1.56 0.07 0.00 0.00 177.43 178.55 2gaq h GLN 58 N 0.00 0.00 0.00 4.14 1.08 -1.84 -3.35 115.11 115.14 2gaq h GLN 58 Ca -0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 2gaq h GLN 58 Cb 0.81 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2gaq h GLN 58 CO 0.04 0.85 -0.63 0.00 -0.95 0.00 0.00 178.83 178.14 2gaq n ALA 59 N -2.34 2.68 -0.79 3.87 0.00 -1.19 -4.71 120.51 118.03 2gaq n ALA 59 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2gaq n ALA 59 Cb 0.85 0.31 0.01 0.00 0.00 0.00 0.00 19.45 20.62 2gaq n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gaq n TYR 60 N -3.46 0.93 0.24 0.00 4.01 0.10 -4.32 117.16 114.66 2gaq n TYR 60 Ca -0.05 -1.61 0.12 0.00 -0.16 0.00 0.00 57.90 56.20 2gaq n TYR 60 Cb 0.29 -0.85 0.59 0.00 -0.31 0.00 0.00 39.34 39.06 2gaq n TYR 60 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2gaq h GLY 61 N 2.88 0.00 2.00 2.72 0.00 -1.61 -3.02 103.07 106.04 2gaq h GLY 61 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 2gaq h GLY 61 CO 0.47 0.00 -0.31 3.21 0.00 0.00 0.00 176.54 179.91 2gaq h ARG 62 N 0.00 0.00 0.00 4.80 3.08 -1.89 -3.13 114.38 117.24 2gaq h ARG 62 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gaq h ARG 62 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2gaq h ARG 62 CO 0.02 0.31 0.00 -0.40 -1.07 0.00 0.00 179.97 178.84 2gaq n ASP 63 N -3.62 0.12 0.00 7.04 5.75 -1.14 -3.73 116.55 120.97 2gaq n ASP 63 Ca -0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 54.79 54.29 2gaq n ASP 63 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2gaq n ASP 63 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2gaq n LEU 64 N 0.00 0.00 -0.25 -2.12 4.77 -1.26 -0.10 117.00 118.04 2gaq n LEU 64 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2gaq n LEU 64 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2gaq n LEU 64 CO 0.00 0.00 0.65 -0.03 -1.33 0.00 0.00 177.39 176.68 2gaq h MET 65 N 0.00 -0.09 0.00 3.23 4.05 -1.84 0.37 114.93 120.65 2gaq h MET 65 Ca 0.00 0.01 -0.24 0.00 -0.28 0.00 0.00 59.70 59.18 2gaq h MET 65 Cb 0.00 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 2gaq h MET 65 CO 0.00 -0.06 -1.35 0.93 0.23 0.00 0.00 176.91 176.66 2gaq h GLU 66 N -0.09 0.00 0.00 0.39 4.39 -0.45 -0.00 114.58 118.82 2gaq h GLU 66 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2gaq h GLU 66 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2gaq h GLU 66 CO -0.76 0.68 0.00 0.00 -1.16 0.00 0.00 179.01 177.76 2gaq n ALA 67 N -2.45 1.65 -0.04 3.43 0.00 -0.38 -2.72 120.51 120.01 2gaq n ALA 67 Ca -0.09 0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 2gaq n ALA 67 Cb 0.98 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.17 1.83 -0.48 0.00 7.27 0.12 -4.69 117.38 119.26 2gaq n GLN 68 Ca 0.02 0.02 0.40 0.00 0.07 0.00 0.00 57.00 57.51 2gaq n GLN 68 Cb 0.22 -1.19 0.72 0.00 2.41 0.00 0.00 30.24 32.40 2gaq n GLN 68 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2gaq h GLU 69 N 0.00 0.06 -2.54 3.69 4.57 -0.78 -1.49 114.58 118.10 2gaq h GLU 69 Ca -0.21 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.89 2gaq h GLU 69 Cb 1.42 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.96 2gaq h GLU 69 CO -0.01 0.04 0.11 0.91 -1.18 0.00 0.00 179.01 178.89 2gaq n TRP 70 N -4.30 0.00 -0.05 0.92 5.03 -1.22 -4.14 117.44 113.67 2gaq n TRP 70 Ca 0.35 -0.62 -0.20 0.00 3.03 0.00 0.00 57.50 60.06 2gaq n TRP 70 Cb 1.50 -0.87 -0.13 0.00 -1.03 0.00 0.00 31.31 30.78 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2gaq h ARG 72 N -0.73 0.00 0.02 0.00 2.47 -1.88 0.48 114.38 114.75 2gaq h ARG 72 Ca -0.25 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.08 2gaq h ARG 72 Cb 1.42 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.68 2gaq h ARG 72 CO -0.06 0.00 -2.26 1.17 0.56 0.00 0.00 179.97 179.38 2gaq n LYS 73 N -3.30 0.64 0.23 0.04 4.81 -1.23 -2.93 118.16 116.43 2gaq n LYS 73 Ca -0.02 0.26 0.16 0.00 -0.87 0.00 0.00 58.31 57.84 2gaq n LYS 73 Cb 0.19 -1.57 0.69 0.00 0.02 0.00 0.00 35.03 34.36 2gaq n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2gaq h TYR 74 N -0.41 0.00 0.00 5.64 3.20 0.48 0.34 116.97 126.21 2gaq h TYR 74 Ca -0.56 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.16 2gaq h TYR 74 Cb 1.76 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.01 2gaq h TYR 74 CO 0.01 0.00 -1.09 -1.33 -1.64 0.00 0.00 178.16 174.11 2gaq n MET 75 N -2.73 0.52 -0.01 1.82 2.81 0.16 -3.27 117.12 116.41 2gaq n MET 75 Ca 0.00 0.49 -0.18 0.00 -1.81 0.00 0.00 57.70 56.21 2gaq n MET 75 Cb 0.22 -1.67 -0.14 0.00 -0.71 0.00 0.00 33.22 30.92 2gaq n MET 75 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2gaq h LYS 76 N -1.00 0.15 -0.04 0.03 1.57 -1.49 -3.36 116.57 112.44 2gaq h LYS 76 Ca -0.22 -0.26 -0.25 0.00 -1.87 0.00 0.00 60.65 58.04 2gaq h LYS 76 Cb 1.01 0.10 0.02 0.00 0.08 0.00 0.00 32.23 33.43 2gaq h LYS 76 CO -0.14 1.12 -0.96 1.03 -0.57 0.00 0.00 179.45 179.94 2gaq h SER 77 N -0.66 0.87 -3.58 0.86 0.87 -0.62 -3.47 113.55 107.82 2gaq h SER 77 Ca -0.11 -0.66 -0.18 0.00 -1.23 0.00 0.00 61.79 59.61 2gaq h SER 77 Cb 1.37 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 2gaq h SER 77 CO 0.06 1.46 -0.21 0.61 -0.53 0.00 0.00 176.83 178.22 2gaq n GLY 78 N 0.96 -0.20 3.63 5.77 0.00 0.22 -4.87 105.19 110.70 2gaq n GLY 78 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2gaq n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gaq s ASN 79 N -1.96 6.20 0.62 1.61 3.84 -1.26 -4.93 114.94 119.05 2gaq s ASN 79 Ca 0.00 0.21 0.26 0.00 0.21 0.00 0.00 52.86 53.54 2gaq s ASN 79 Cb 0.00 -2.17 1.41 0.00 -0.55 0.00 0.00 41.25 39.95 2gaq s ASN 79 CO 0.00 -0.07 1.78 0.58 -2.79 0.00 0.00 177.10 176.60 2gaq h VAL 80 N 5.23 0.00 -0.60 -5.21 2.07 -1.97 0.65 116.25 116.42 2gaq h VAL 80 Ca -0.35 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.35 2gaq h VAL 80 Cb 1.17 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2gaq h VAL 80 CO 0.64 0.00 0.50 0.11 0.02 0.00 0.00 177.57 178.83 2gaq h LYS 81 N 0.00 0.00 0.17 1.57 1.79 -1.98 0.68 116.57 118.81 2gaq h LYS 81 Ca 0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 2gaq h LYS 81 Cb 0.73 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.38 2gaq h LYS 81 CO 0.00 0.00 -1.62 -0.44 -1.08 0.00 0.00 179.45 176.31 2gaq h ASP 82 N 0.00 0.57 -0.20 0.86 3.32 -1.28 -3.36 116.42 116.34 2gaq h ASP 82 Ca 0.28 -0.78 -0.19 0.00 0.02 0.00 0.00 57.03 56.36 2gaq h ASP 82 Cb 1.28 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2gaq h ASP 82 CO -0.00 1.64 -0.61 0.25 -1.72 0.00 0.00 179.24 178.80 2gaq h LEU 83 N 0.10 0.91 -1.50 1.55 7.12 -0.74 0.02 115.31 122.77 2gaq h LEU 83 Ca -0.29 -0.52 0.17 0.00 0.13 0.00 0.00 57.88 57.38 2gaq h LEU 83 Cb 2.08 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 41.89 2gaq h LEU 83 CO 0.19 1.31 0.56 0.00 -0.13 0.00 0.00 178.44 180.36 2gaq h THR 84 N 0.60 0.75 0.11 1.05 1.03 0.02 0.55 112.91 117.02 2gaq h THR 84 Ca -0.00 -0.16 -0.15 0.00 -0.01 0.00 0.00 66.41 66.09 2gaq h THR 84 Cb 1.21 0.25 0.02 0.00 -1.07 0.00 0.00 68.15 68.56 2gaq h THR 84 CO 0.13 0.08 -0.66 1.56 -0.01 0.00 0.00 175.52 176.62 2gaq h GLN 85 N 0.45 0.23 -0.92 0.00 4.20 -1.65 -2.97 115.11 114.45 2gaq h GLN 85 Ca 0.43 -0.39 0.09 0.00 0.06 0.00 0.00 58.65 58.84 2gaq h GLN 85 Cb 0.97 0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.83 2gaq h GLN 85 CO -0.16 1.19 0.59 0.00 -0.67 0.00 0.00 178.83 179.78 2gaq h ALA 86 N 0.05 1.59 -0.85 3.87 0.00 0.20 0.71 119.26 124.84 2gaq h ALA 86 Ca -0.12 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2gaq h ALA 86 Cb 1.50 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2gaq h ALA 86 CO 0.11 0.22 0.55 2.35 0.00 0.00 0.00 179.25 182.49 2gaq h TRP 87 N 0.93 1.05 -0.52 0.00 2.91 -0.03 0.40 115.95 120.70 2gaq h TRP 87 Ca 0.42 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.36 2gaq h TRP 87 Cb 0.38 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.67 2gaq h TRP 87 CO -0.00 0.63 -0.10 0.22 -1.03 0.00 0.00 178.44 178.16 2gaq h ASP 88 N 1.10 0.96 -0.20 2.65 3.58 -0.78 0.47 116.42 124.20 2gaq h ASP 88 Ca 0.33 -0.30 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 2gaq h ASP 88 Cb -0.06 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.73 2gaq h ASP 88 CO -0.09 1.07 -0.17 -0.07 -2.88 0.00 0.00 179.24 177.09 2gaq h LEU 89 N 0.86 0.49 -0.39 2.28 3.38 0.06 0.49 115.31 122.49 2gaq h LEU 89 Ca 0.14 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2gaq h LEU 89 Cb 0.64 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2gaq h LEU 89 CO 0.04 0.85 0.22 1.88 0.09 0.00 0.00 178.44 181.52 2gaq h TYR 90 N 0.14 0.52 -0.12 1.13 0.05 0.01 0.23 116.97 118.93 2gaq h TYR 90 Ca 0.04 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 2gaq h TYR 90 Cb 0.70 -0.17 0.01 0.00 1.01 0.00 0.00 36.73 38.27 2gaq h TYR 90 CO 0.08 0.39 -0.47 -0.92 -1.05 0.00 0.00 178.16 176.19 2gaq h TYR 91 N 0.50 0.70 -0.61 4.88 3.20 0.02 0.23 116.97 125.89 2gaq h TYR 91 Ca 0.14 -0.30 -0.04 0.00 3.14 0.00 0.00 58.73 61.68 2gaq h TYR 91 Cb 0.03 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 2gaq h TYR 91 CO -0.03 1.07 0.23 1.25 -1.64 0.00 0.00 178.16 179.04 2gaq h HIS 92 N 0.13 0.89 0.00 -3.82 2.76 -0.02 -2.14 115.15 112.95 2gaq h HIS 92 Ca -0.03 -0.05 -0.17 0.00 -2.20 0.00 0.00 60.37 57.93 2gaq h HIS 92 Cb 1.10 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 2gaq h HIS 92 CO 0.11 0.69 -0.79 -0.24 -1.30 0.00 0.00 177.93 176.41 2gaq h VAL 93 N 0.87 1.38 -0.47 5.26 3.04 -0.92 -3.23 116.25 122.17 2gaq h VAL 93 Ca 0.21 -2.88 0.14 0.00 -1.01 0.00 0.00 66.70 63.15 2gaq h VAL 93 Cb 0.18 2.64 -0.02 0.00 -2.01 0.00 0.00 31.29 32.08 2gaq h VAL 93 CO -0.02 0.77 0.53 0.15 -1.01 0.00 0.00 177.57 177.99 2gaq h PHE 94 N 0.00 0.00 0.02 3.17 3.57 0.16 0.28 116.94 124.14 2gaq h PHE 94 Ca -0.01 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.15 2gaq h PHE 94 Cb 1.58 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.26 2gaq h PHE 94 CO 0.00 0.00 -2.05 -2.13 -2.23 0.00 0.00 178.31 171.90 2gaq n ARG 95 N -3.63 0.67 0.03 1.11 3.00 -1.22 -3.84 116.66 112.78 2gaq n ARG 95 Ca 0.09 0.18 -0.01 0.00 -0.00 0.00 0.00 57.85 58.11 2gaq n ARG 95 Cb 0.72 -1.67 -0.01 0.00 0.00 0.00 0.00 32.46 31.50 2gaq n ARG 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gaq h ARG 96 N 0.01 -0.08 0.00 -0.14 2.47 -0.63 -2.85 114.38 113.16 2gaq h ARG 96 Ca -0.42 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2gaq h ARG 96 Cb 2.07 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.41 2gaq h ARG 96 CO 0.05 -0.05 0.00 -0.84 0.56 0.00 0.00 179.97 179.68 2gaq h ILE 97 N -0.13 0.00 0.00 2.04 -0.00 -0.99 -2.40 117.51 116.04 2gaq h ILE 97 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.85 2gaq h ILE 97 Cb 0.07 0.94 0.00 0.00 -0.00 0.00 0.00 36.82 37.83 2gaq h ILE 97 CO 0.01 0.00 0.00 -0.24 -0.00 0.00 0.00 178.15 177.92 2gaq n SER 98 N -2.99 0.00 0.00 2.16 2.88 -1.20 -4.76 113.62 109.70 2gaq n SER 98 Ca -0.03 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2gaq n SER 98 Cb 0.07 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2gaq n SER 98 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2gaq n LYS 99 N -1.84 0.00 0.00 -1.46 2.85 -1.09 -5.03 118.16 111.60 2gaq n LYS 99 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2gaq n LYS 99 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29