#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 -1.17 -2.01 -4.62 4.32 -1.26 -4.84 117.00 107.42 2gaq n LEU 2 Ca 0.00 2.38 -0.19 0.00 -0.02 0.00 0.00 56.01 58.18 2gaq n LEU 2 Cb 0.00 -2.80 -0.04 0.00 -1.62 0.00 0.00 43.42 38.95 2gaq n LEU 2 CO 0.00 -1.54 -0.22 0.00 -1.22 0.00 0.00 177.39 174.42 2gaq n ILE 3 N -3.58 -0.48 0.00 -0.08 0.00 -1.26 -4.54 119.36 109.41 2gaq n ILE 3 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.69 2gaq n ILE 3 Cb 0.57 -2.32 0.00 0.00 0.00 0.00 0.00 39.64 37.89 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 -2.65 0.00 -0.12 9.51 1.85 -1.26 -4.96 116.66 119.04 2gaq n ARG 4 Ca -0.21 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.45 2gaq n ARG 4 Cb 0.65 -0.01 -0.10 0.00 -1.05 0.00 0.00 32.46 31.96 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 -2.43 1.31 -3.33 8.89 3.14 -1.26 -5.04 118.33 119.61 2gaq n VAL 5 Ca 0.00 -0.45 -0.18 0.00 -2.96 0.00 0.00 64.34 60.76 2gaq n VAL 5 Cb 0.00 -1.46 0.07 0.00 -1.06 0.00 0.00 33.84 31.39 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 -3.44 -1.38 -2.30 1.55 0.00 -1.26 -3.95 120.51 109.73 2gaq n ALA 6 Ca -0.42 0.16 -0.20 0.00 0.00 0.00 0.00 53.44 52.98 2gaq n ALA 6 Cb 0.90 -3.55 0.02 0.00 0.00 0.00 0.00 19.45 16.82 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 -4.17 -1.97 -1.32 0.00 0.00 -1.26 -4.82 119.36 105.82 2gaq n ILE 7 Ca -0.11 0.04 -0.37 0.00 0.00 0.00 0.00 62.75 62.31 2gaq n ILE 7 Cb 0.59 -1.81 0.06 0.00 0.00 0.00 0.00 39.64 38.48 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 -0.08 0.55 0.02 9.51 7.99 -1.25 -4.96 117.00 128.78 2gaq n LEU 8 Ca -0.05 0.63 -0.22 0.00 -0.01 0.00 0.00 56.01 56.37 2gaq n LEU 8 Cb 0.36 -1.18 -0.14 0.00 -0.11 0.00 0.00 43.42 42.34 2gaq n LEU 8 CO 0.29 -3.20 -0.75 -0.50 -1.51 0.00 0.00 177.39 171.72 2gaq h TRP 9 N -0.17 0.52 -1.08 -1.77 6.55 -1.91 -3.28 115.95 114.81 2gaq h TRP 9 Ca -0.45 -0.38 0.29 0.00 0.95 0.00 0.00 58.89 59.29 2gaq h TRP 9 Cb 1.37 -0.02 -0.09 0.00 -0.86 0.00 0.00 29.16 29.55 2gaq h TRP 9 CO 0.33 1.77 0.70 1.25 -1.05 0.00 0.00 178.44 181.44 2gaq h HIS 10 N 0.06 0.57 0.16 0.49 -0.00 -1.92 0.22 115.15 114.74 2gaq h HIS 10 Ca -0.41 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 59.97 2gaq h HIS 10 Cb 2.04 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 29.28 2gaq h HIS 10 CO 0.08 0.03 -0.08 0.93 -0.00 0.00 0.00 177.93 178.89 2gaq h GLU 11 N 0.32 -0.20 0.00 5.26 4.39 -1.92 -2.22 114.58 120.20 2gaq h GLU 11 Ca 0.61 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.33 2gaq h GLU 11 Cb 1.69 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.39 2gaq h GLU 11 CO -0.28 0.04 -0.01 0.00 -1.16 0.00 0.00 179.01 177.61 2gaq h MET 12 N -0.44 0.00 -0.31 2.33 -0.00 -1.08 -2.06 114.93 113.37 2gaq h MET 12 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.54 2gaq h MET 12 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.93 2gaq h MET 12 CO 0.04 0.01 -0.38 -1.49 -0.00 0.00 0.00 176.91 175.08 2gaq h TRP 13 N 0.00 0.87 0.15 -0.10 -0.00 -0.52 0.56 115.95 116.90 2gaq h TRP 13 Ca -0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 58.89 58.64 2gaq h TRP 13 Cb 0.25 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.20 2gaq h TRP 13 CO 0.00 1.00 -0.30 0.45 -0.00 0.00 0.00 178.44 179.58 2gaq h HIS 14 N 0.60 -0.87 -0.09 0.49 3.86 -1.10 0.34 115.15 118.37 2gaq h HIS 14 Ca 0.05 0.02 -0.24 0.00 -1.16 0.00 0.00 60.37 59.04 2gaq h HIS 14 Cb 0.92 0.36 0.01 0.00 1.06 0.00 0.00 27.41 29.77 2gaq h HIS 14 CO 0.05 -0.36 -0.89 1.05 0.86 0.00 0.00 177.93 178.63 2gaq h GLU 15 N -0.49 0.76 -0.24 2.45 4.11 -1.67 -0.71 114.58 118.78 2gaq h GLU 15 Ca -0.01 -0.70 0.03 0.00 0.07 0.00 0.00 59.36 58.75 2gaq h GLU 15 Cb 0.47 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2gaq h GLU 15 CO -0.12 1.29 0.17 0.78 0.07 0.00 0.00 179.01 181.19 2gaq h GLY 16 N 0.49 0.21 1.54 1.06 0.00 0.30 0.93 103.07 107.60 2gaq h GLY 16 Ca -0.09 -0.07 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 2gaq h GLY 16 CO 0.18 0.06 -1.12 1.41 0.00 0.00 0.00 176.54 177.08 2gaq h LEU 17 N 0.19 0.00 0.02 3.11 3.38 -0.32 -3.24 115.31 118.45 2gaq h LEU 17 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2gaq h LEU 17 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2gaq h LEU 17 CO -0.02 0.77 -0.01 -0.08 0.09 0.00 0.00 178.44 179.19 2gaq h GLU 18 N 0.00 -0.03 0.00 1.13 4.81 0.69 0.83 114.58 122.02 2gaq h GLU 18 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2gaq h GLU 18 Cb 1.67 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.06 2gaq h GLU 18 CO 0.08 0.71 0.00 -1.91 -0.73 0.00 0.00 179.01 177.16 2gaq n GLU 19 N -4.71 0.02 -0.08 1.92 4.07 0.30 -0.26 120.64 121.91 2gaq n GLU 19 Ca -0.08 0.33 -0.12 0.00 -0.06 0.00 0.00 57.16 57.22 2gaq n GLU 19 Cb 0.36 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.20 2gaq n GLU 19 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2gaq n ALA 20 N -1.46 1.31 0.27 4.31 0.00 -1.15 -4.16 120.51 119.64 2gaq n ALA 20 Ca 0.02 -0.74 0.16 0.00 0.00 0.00 0.00 53.44 52.89 2gaq n ALA 20 Cb 0.09 0.10 0.90 0.00 0.00 0.00 0.00 19.45 20.55 2gaq n ALA 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2gaq h SER 21 N -0.83 0.00 -0.15 0.00 0.02 0.81 0.80 113.55 114.20 2gaq h SER 21 Ca -0.16 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.59 2gaq h SER 21 Cb 1.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.55 2gaq h SER 21 CO -0.09 0.00 -0.69 -0.09 -1.14 0.00 0.00 176.83 174.81 2gaq h ARG 22 N 0.00 0.78 -0.01 3.45 2.43 -0.80 0.47 114.38 120.71 2gaq h ARG 22 Ca 0.03 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2gaq h ARG 22 Cb 0.21 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2gaq h ARG 22 CO -0.00 1.20 0.03 -0.07 -1.51 0.00 0.00 179.97 179.63 2gaq h LEU 23 N 0.56 0.00 0.00 3.80 -0.00 -1.00 -1.27 115.31 117.40 2gaq h LEU 23 Ca -0.03 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.63 2gaq h LEU 23 Cb 1.31 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.93 2gaq h LEU 23 CO 0.14 0.00 -1.98 0.00 -0.00 0.00 0.00 178.44 176.60 2gaq n TYR 24 N -3.26 0.00 -0.05 1.13 9.36 -1.14 -1.35 117.16 121.85 2gaq n TYR 24 Ca -0.03 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.11 2gaq n TYR 24 Cb 0.11 -0.67 -0.01 0.00 -0.63 0.00 0.00 39.34 38.13 2gaq n TYR 24 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 2gaq h PHE 25 N 0.00 -0.55 -0.01 2.98 3.57 0.12 -3.37 116.94 119.68 2gaq h PHE 25 Ca -0.33 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.06 2gaq h PHE 25 Cb 1.69 0.28 -0.16 0.00 2.79 0.00 0.00 35.95 40.54 2gaq h PHE 25 CO 0.00 -0.29 -0.37 0.41 -2.23 0.00 0.00 178.31 175.83 2gaq n GLY 26 N -1.36 0.99 0.02 2.40 0.00 -1.07 -4.92 105.19 101.25 2gaq n GLY 26 Ca -0.01 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.91 2gaq n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gaq n GLU 27 N -0.39 4.15 -2.92 1.61 4.71 -1.22 -5.00 120.64 121.57 2gaq n GLU 27 Ca -0.22 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.16 56.75 2gaq n GLU 27 Cb 0.79 -0.89 -0.01 0.00 -1.01 0.00 0.00 31.44 30.32 2gaq n GLU 27 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2gaq n ARG 28 N -1.06 -2.57 -3.31 3.49 3.00 -1.16 -4.85 116.66 110.21 2gaq n ARG 28 Ca 0.02 0.16 -0.26 0.00 -0.00 0.00 0.00 57.85 57.77 2gaq n ARG 28 Cb 0.13 -4.71 -0.07 0.00 0.00 0.00 0.00 32.46 27.81 2gaq n ARG 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2gaq n ASN 29 N -1.79 2.31 -0.31 6.15 2.85 -0.45 -4.89 115.26 119.13 2gaq n ASN 29 Ca -0.00 -3.15 0.22 0.00 -0.11 0.00 0.00 54.58 51.54 2gaq n ASN 29 Cb 0.51 -0.65 0.50 0.00 1.24 0.00 0.00 39.78 41.38 2gaq n ASN 29 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2gaq h VAL 30 N 2.65 0.56 0.00 3.44 2.07 -1.89 0.98 116.25 124.06 2gaq h VAL 30 Ca 0.14 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2gaq h VAL 30 Cb 0.75 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2gaq h VAL 30 CO 0.68 0.07 -0.08 0.50 0.02 0.00 0.00 177.57 178.76 2gaq h LYS 31 N 0.41 0.00 0.01 1.57 3.11 -1.91 -2.47 116.57 117.29 2gaq h LYS 31 Ca 0.57 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.41 2gaq h LYS 31 Cb 1.43 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.66 2gaq h LYS 31 CO -0.28 0.08 -0.01 0.78 -2.81 0.00 0.00 179.45 177.22 2gaq h GLY 32 N 0.28 -0.01 1.69 5.01 0.00 -1.14 -3.12 103.07 105.77 2gaq h GLY 32 Ca -0.00 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.37 2gaq h GLY 32 CO 0.01 -0.01 0.14 0.00 0.00 0.00 0.00 176.54 176.68 2gaq h MET 33 N -0.58 0.11 0.00 4.80 -0.00 -1.35 0.10 114.93 118.01 2gaq h MET 33 Ca -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2gaq h MET 33 Cb 0.57 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 32.14 2gaq h MET 33 CO 0.00 0.07 -0.03 0.74 -0.00 0.00 0.00 176.91 177.69 2gaq h PHE 34 N 0.11 0.00 0.21 -0.10 0.04 -1.39 0.26 116.94 116.06 2gaq h PHE 34 Ca 0.09 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.52 2gaq h PHE 34 Cb 0.21 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.38 2gaq h PHE 34 CO -0.00 0.03 -1.61 1.49 -0.60 0.00 0.00 178.31 177.62 2gaq h GLU 35 N 0.00 0.44 0.00 1.51 4.81 -0.79 -0.65 114.58 119.90 2gaq h GLU 35 Ca -0.00 -0.75 -0.14 0.00 -0.13 0.00 0.00 59.36 58.34 2gaq h GLU 35 Cb 0.17 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2gaq h GLU 35 CO 0.00 1.36 -0.81 -0.24 -0.73 0.00 0.00 179.01 178.59 2gaq h VAL 36 N 0.08 0.92 0.00 0.32 3.04 -1.42 -3.20 116.25 115.99 2gaq h VAL 36 Ca -0.31 -2.37 0.00 0.00 -1.01 0.00 0.00 66.70 63.01 2gaq h VAL 36 Cb 2.09 2.40 0.00 0.00 -2.01 0.00 0.00 31.29 33.78 2gaq h VAL 36 CO 0.21 0.52 -0.55 -0.11 -1.01 0.00 0.00 177.57 176.63 2gaq n LEU 37 N -3.17 0.59 -0.03 3.16 7.94 0.86 -4.09 117.00 122.27 2gaq n LEU 37 Ca -0.01 0.17 -0.09 0.00 -1.11 0.00 0.00 56.01 54.96 2gaq n LEU 37 Cb 0.80 -0.22 -0.03 0.00 0.53 0.00 0.00 43.42 44.49 2gaq n LEU 37 CO 0.42 0.01 0.84 -0.33 -1.11 0.00 0.00 177.39 177.22 2gaq h GLU 38 N 0.00 0.00 0.00 1.96 4.39 -1.10 0.46 114.58 120.29 2gaq h GLU 38 Ca 0.00 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2gaq h GLU 38 Cb 0.65 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2gaq h GLU 38 CO 0.00 0.00 -0.34 -1.00 -1.16 0.00 0.00 179.01 176.52 2gaq h PRO 39 N 0.00 0.00 0.00 2.33 0.13 -1.73 -2.46 132.00 130.28 2gaq h PRO 39 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2gaq h PRO 39 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2gaq h PRO 39 CO -0.18 0.34 0.00 1.28 -0.23 0.00 0.00 178.00 179.21 2gaq n LEU 40 N -3.69 0.32 0.10 1.56 4.77 -0.17 0.28 117.00 120.16 2gaq n LEU 40 Ca -0.01 0.55 -0.22 0.00 -0.03 0.00 0.00 56.01 56.30 2gaq n LEU 40 Cb 0.44 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 2gaq n LEU 40 CO 0.36 -0.23 -0.34 -0.74 -1.33 0.00 0.00 177.39 175.11 2gaq h HIS 41 N 0.00 0.74 0.13 -1.77 2.76 -0.50 -3.30 115.15 113.21 2gaq h HIS 41 Ca 0.00 -0.54 -0.29 0.00 -2.20 0.00 0.00 60.37 57.34 2gaq h HIS 41 Cb 0.45 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.38 2gaq h HIS 41 CO 0.00 1.54 -1.45 0.00 -1.30 0.00 0.00 177.93 176.73 2gaq h ALA 42 N 0.25 0.16 0.00 5.26 0.00 -1.25 -2.35 119.26 121.32 2gaq h ALA 42 Ca -0.27 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.56 2gaq h ALA 42 Cb 2.10 0.45 0.00 0.00 0.00 0.00 0.00 17.79 20.34 2gaq h ALA 42 CO 0.21 0.84 0.00 -1.33 0.00 0.00 0.00 179.25 178.97 2gaq n MET 43 N -3.87 0.03 -0.03 0.00 2.00 0.14 -0.97 117.12 114.41 2gaq n MET 43 Ca -0.24 0.35 0.02 0.00 0.00 0.00 0.00 57.70 57.83 2gaq n MET 43 Cb 0.93 -1.56 -0.13 0.00 0.00 0.00 0.00 33.22 32.46 2gaq n MET 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2gaq n MET 44 N -1.61 0.88 -0.01 0.03 3.85 -1.24 -4.67 117.12 114.35 2gaq n MET 44 Ca 0.02 -0.10 -0.10 0.00 -1.00 0.00 0.00 57.70 56.53 2gaq n MET 44 Cb 0.13 -1.40 -0.14 0.00 -1.05 0.00 0.00 33.22 30.76 2gaq n MET 44 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2gaq h GLU 45 N 0.00 0.03 -1.18 3.17 4.22 -0.74 -3.37 114.58 116.70 2gaq h GLU 45 Ca -0.16 -0.05 0.35 0.00 0.08 0.00 0.00 59.36 59.58 2gaq h GLU 45 Cb 1.23 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.39 2gaq h GLU 45 CO 0.01 0.61 0.77 -0.09 -2.18 0.00 0.00 179.01 178.13 2gaq h ARG 46 N 0.01 0.22 0.00 1.92 9.65 -1.33 -3.47 114.38 121.38 2gaq h ARG 46 Ca -0.27 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2gaq h ARG 46 Cb 1.99 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.52 2gaq h ARG 46 CO 0.09 0.14 0.00 0.41 2.80 0.00 0.00 179.97 183.41 2gaq n GLY 47 N -1.52 0.87 0.00 2.80 0.00 -1.26 -5.10 105.19 100.98 2gaq n GLY 47 Ca 0.31 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2gaq n GLY 47 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gaq n PRO 48 N 0.00 0.07 0.00 1.61 -0.04 -1.26 -4.86 135.00 130.51 2gaq n PRO 48 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2gaq n PRO 48 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2gaq n PRO 48 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2gaq n GLN 49 N -0.80 0.00 0.00 0.54 -0.06 -1.26 -5.10 117.38 110.70 2gaq n GLN 49 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2gaq n GLN 49 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 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 0.00 0.00 -1.93 1.69 5.66 -1.26 -4.77 114.28 113.67 2gaq n THR 50 Ca 0.00 0.56 -0.00 0.00 -3.05 0.00 0.00 64.05 61.55 2gaq n THR 50 Cb 0.00 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 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 -0.42 -0.07 0.01 1.09 7.94 -1.26 -5.04 117.00 119.26 2gaq n LEU 51 Ca 0.00 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.37 2gaq n LEU 51 Cb 0.00 0.39 0.00 0.00 0.53 0.00 0.00 43.42 44.34 2gaq n LEU 51 CO 0.00 0.76 -0.37 0.29 -1.11 0.00 0.00 177.39 176.96 2gaq n LYS 52 N -0.04 0.00 -1.63 1.96 5.02 -1.26 -4.85 118.16 117.37 2gaq n LYS 52 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 2gaq n LYS 52 Cb 0.38 -0.46 -0.02 0.00 -0.02 0.00 0.00 35.03 34.90 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 -3.08 3.96 -2.70 1.97 0.00 -1.26 -4.22 120.64 115.31 2gaq n GLU 53 Ca 0.00 -2.74 -0.06 0.00 0.00 0.00 0.00 57.16 54.36 2gaq n GLU 53 Cb 0.37 -2.78 0.10 0.00 0.00 0.00 0.00 31.44 29.13 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2gaq n THR 54 N 3.02 0.25 -0.08 3.84 -1.04 -1.26 -4.47 114.28 114.54 2gaq n THR 54 Ca 0.69 -1.78 -0.18 0.00 -2.04 0.00 0.00 64.05 60.75 2gaq n THR 54 Cb 0.25 0.96 -0.13 0.00 -1.82 0.00 0.00 70.33 69.59 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 -0.67 1.74 0.04 8.00 3.41 -1.26 -4.08 113.62 120.81 2gaq n SER 55 Ca -0.03 -0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 2gaq n SER 55 Cb 0.85 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 2gaq n SER 55 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2gaq h PHE 56 N 0.02 -0.17 0.00 7.33 -0.00 -1.91 -3.09 116.94 119.12 2gaq h PHE 56 Ca -0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.45 2gaq h PHE 56 Cb 1.98 0.05 0.00 0.00 -0.00 0.00 0.00 35.95 37.99 2gaq h PHE 56 CO 0.04 0.30 0.00 -0.97 -0.00 0.00 0.00 178.31 177.68 2gaq h ASN 57 N -0.82 0.00 0.14 -0.68 -0.73 -1.82 0.42 115.58 112.09 2gaq h ASN 57 Ca -0.02 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 2gaq h ASN 57 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.14 2gaq h ASN 57 CO 0.03 0.00 -0.07 -0.61 -0.37 0.00 0.00 177.43 176.41 2gaq h GLN 58 N 0.00 -0.18 0.00 6.67 -0.00 -1.70 -3.41 115.11 116.50 2gaq h GLN 58 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2gaq h GLN 58 Cb 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.56 2gaq h GLN 58 CO 0.00 0.22 -1.08 0.00 0.00 0.00 0.00 178.83 177.98 2gaq n ALA 59 N -2.63 2.80 -0.42 3.38 0.00 -0.70 -4.70 120.51 118.24 2gaq n ALA 59 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 2gaq n ALA 59 Cb 0.24 0.48 -0.01 0.00 0.00 0.00 0.00 19.45 20.16 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 -3.00 0.00 0.25 0.00 4.01 0.14 -4.42 117.16 114.14 2gaq n TYR 60 Ca -0.03 -0.80 0.13 0.00 -0.16 0.00 0.00 57.90 57.05 2gaq n TYR 60 Cb 0.52 -0.54 0.67 0.00 -0.31 0.00 0.00 39.34 39.69 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 3.46 0.00 -1.11 2.72 0.00 -1.57 -1.79 103.07 104.78 2gaq h GLY 61 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2gaq h GLY 61 CO 0.03 0.00 -0.17 0.54 0.00 0.00 0.00 176.54 176.94 2gaq n ARG 62 N -2.43 1.55 0.00 4.80 3.00 -1.26 -4.29 116.66 118.03 2gaq n ARG 62 Ca -0.01 -1.21 0.00 0.00 -0.01 0.00 0.00 57.85 56.63 2gaq n ARG 62 Cb 0.10 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.24 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 0.46 0.00 -0.08 0.55 5.75 -0.67 -3.86 116.55 118.70 2gaq n ASP 63 Ca 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.88 2gaq n ASP 63 Cb 0.40 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.07 -0.37 -2.12 4.32 -1.26 0.00 117.00 117.50 2gaq n LEU 64 Ca 0.00 0.37 -0.10 0.00 -0.02 0.00 0.00 56.01 56.27 2gaq n LEU 64 Cb 0.00 -0.12 -0.09 0.00 -1.62 0.00 0.00 43.42 41.60 2gaq n LEU 64 CO 0.00 -0.36 0.48 -0.03 -1.22 0.00 0.00 177.39 176.26 2gaq h MET 65 N 0.00 -0.00 0.00 3.23 4.05 -1.84 0.14 114.93 120.51 2gaq h MET 65 Ca 0.11 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.35 2gaq h MET 65 Cb 0.17 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 2gaq h MET 65 CO -0.22 -0.00 -1.07 0.93 0.23 0.00 0.00 176.91 176.78 2gaq h GLU 66 N -0.00 0.00 0.00 0.39 5.08 -0.74 -0.86 114.58 118.45 2gaq h GLU 66 Ca 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2gaq h GLU 66 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2gaq h GLU 66 CO -0.83 0.59 -0.00 0.00 -1.00 0.00 0.00 179.01 177.77 2gaq h ALA 67 N 1.25 1.07 0.00 3.43 0.00 0.76 -2.44 119.26 123.33 2gaq h ALA 67 Ca -0.09 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2gaq h ALA 67 Cb 1.65 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 2gaq h ALA 67 CO 0.08 0.00 -1.60 0.94 0.00 0.00 0.00 179.25 178.68 2gaq n GLN 68 N -3.19 0.90 -0.39 0.00 -0.06 0.39 -4.67 117.38 110.36 2gaq n GLN 68 Ca -0.03 0.04 0.38 0.00 -2.00 0.00 0.00 57.00 55.40 2gaq n GLN 68 Cb 0.09 -1.21 0.70 0.00 -4.06 0.00 0.00 30.24 25.76 2gaq n GLN 68 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2gaq h GLU 69 N 0.00 0.00 -2.42 3.69 4.81 -0.66 -2.22 114.58 117.79 2gaq h GLU 69 Ca -0.23 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 2gaq h GLU 69 Cb 1.41 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2gaq h GLU 69 CO -0.02 0.00 0.16 0.91 -0.73 0.00 0.00 179.01 179.32 2gaq n TRP 70 N -3.80 0.00 -0.04 0.92 5.03 -1.12 -4.28 117.44 114.16 2gaq n TRP 70 Ca 0.30 -0.31 -0.16 0.00 3.03 0.00 0.00 57.50 60.36 2gaq n TRP 70 Cb 1.54 -0.52 -0.13 0.00 -1.03 0.00 0.00 31.31 31.16 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 -0.79 0.00 0.00 0.00 3.08 -1.90 0.33 114.38 115.11 2gaq h ARG 72 Ca -0.04 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 2gaq h ARG 72 Cb 1.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 2gaq h ARG 72 CO 0.04 0.00 -1.15 0.87 -1.07 0.00 0.00 179.97 178.66 2gaq h LYS 73 N 0.00 0.01 0.00 0.04 6.56 -1.84 -1.63 116.57 119.70 2gaq h LYS 73 Ca 0.03 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2gaq h LYS 73 Cb 0.36 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2gaq h LYS 73 CO -0.00 1.01 -0.00 1.88 -2.06 0.00 0.00 179.45 180.27 2gaq h TYR 74 N -0.96 0.00 0.00 -1.35 0.05 0.96 0.45 116.97 116.11 2gaq h TYR 74 Ca -0.32 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.35 2gaq h TYR 74 Cb 1.30 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.02 2gaq h TYR 74 CO 0.12 0.00 -1.02 -1.33 -1.05 0.00 0.00 178.16 174.88 2gaq n MET 75 N -3.51 0.51 -0.03 4.88 2.81 0.11 -3.48 117.12 118.42 2gaq n MET 75 Ca -0.03 0.47 -0.18 0.00 -1.81 0.00 0.00 57.70 56.15 2gaq n MET 75 Cb 0.08 -1.65 -0.13 0.00 -0.71 0.00 0.00 33.22 30.81 2gaq n MET 75 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2gaq h LYS 76 N -1.00 0.12 -0.08 0.03 1.63 -1.23 -3.34 116.57 112.70 2gaq h LYS 76 Ca -0.17 -0.21 -0.22 0.00 -0.85 0.00 0.00 60.65 59.19 2gaq h LYS 76 Cb 0.93 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.64 2gaq h LYS 76 CO -0.11 1.10 -0.84 1.03 -3.45 0.00 0.00 179.45 177.19 2gaq h SER 77 N -0.71 0.71 -5.45 4.20 0.87 -0.57 -3.47 113.55 109.13 2gaq h SER 77 Ca -0.13 -0.51 -0.31 0.00 -1.23 0.00 0.00 61.79 59.61 2gaq h SER 77 Cb 1.34 -0.21 -0.11 0.00 -0.44 0.00 0.00 62.40 62.98 2gaq h SER 77 CO 0.03 1.29 -0.46 0.61 -0.53 0.00 0.00 176.83 177.77 2gaq n GLY 78 N 0.77 -0.48 3.24 5.77 0.00 0.12 -4.89 105.19 109.72 2gaq n GLY 78 Ca -0.07 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.56 2.81 0.25 1.61 3.84 -1.26 -4.99 114.94 114.65 2gaq s ASN 79 Ca 0.33 -0.46 0.13 0.00 0.21 0.00 0.00 52.86 53.08 2gaq s ASN 79 Cb -0.18 -0.65 0.73 0.00 -0.55 0.00 0.00 41.25 40.60 2gaq s ASN 79 CO 0.41 0.24 1.35 0.52 -2.79 0.00 0.00 177.10 176.83 2gaq n VAL 80 N 2.86 0.97 0.22 -5.21 0.31 -1.26 -1.58 118.33 114.64 2gaq n VAL 80 Ca -0.17 0.69 0.18 0.00 -0.01 0.00 0.00 64.34 65.03 2gaq n VAL 80 Cb 0.52 -1.69 0.79 0.00 -0.91 0.00 0.00 33.84 32.55 2gaq n VAL 80 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2gaq h LYS 81 N 0.00 0.00 0.03 5.55 1.79 -1.96 0.86 116.57 122.84 2gaq h LYS 81 Ca 0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.13 2gaq h LYS 81 Cb 0.30 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.90 2gaq h LYS 81 CO 0.00 0.00 -2.03 -0.25 -1.08 0.00 0.00 179.45 176.09 2gaq n ASP 82 N -3.32 1.16 -0.04 0.86 8.00 -0.61 -4.30 116.55 118.30 2gaq n ASP 82 Ca 0.02 0.20 -0.16 0.00 0.71 0.00 0.00 54.79 55.57 2gaq n ASP 82 Cb 0.48 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.42 2gaq n ASP 82 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2gaq h LEU 83 N 0.02 0.65 -1.38 0.64 7.12 -0.67 -0.30 115.31 121.38 2gaq h LEU 83 Ca -0.42 -0.61 0.31 0.00 0.13 0.00 0.00 57.88 57.29 2gaq h LEU 83 Cb 2.05 -0.19 -0.10 0.00 -0.53 0.00 0.00 40.66 41.89 2gaq h LEU 83 CO 0.05 1.15 0.71 0.00 -0.13 0.00 0.00 178.44 180.22 2gaq h THR 84 N 0.19 0.43 0.10 1.05 1.03 0.34 0.76 112.91 116.82 2gaq h THR 84 Ca -0.02 -0.11 -0.25 0.00 -0.01 0.00 0.00 66.41 66.02 2gaq h THR 84 Cb 1.11 0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 68.27 2gaq h THR 84 CO 0.10 0.06 -1.27 1.56 -0.01 0.00 0.00 175.52 175.96 2gaq h GLN 85 N 0.31 0.22 0.00 0.00 4.20 -1.68 -3.23 115.11 114.93 2gaq h GLN 85 Ca 0.65 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 2gaq h GLN 85 Cb 1.77 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 29.68 2gaq h GLN 85 CO -0.32 1.18 -0.01 0.00 -0.67 0.00 0.00 178.83 179.01 2gaq h ALA 86 N -0.06 1.52 -0.57 3.87 0.00 0.18 0.28 119.26 124.47 2gaq h ALA 86 Ca -0.28 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2gaq h ALA 86 Cb 1.67 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 2gaq h ALA 86 CO 0.04 0.01 0.07 2.35 0.00 0.00 0.00 179.25 181.72 2gaq h TRP 87 N 0.00 1.02 -0.31 0.00 -0.00 0.45 0.85 115.95 117.97 2gaq h TRP 87 Ca -0.00 -0.15 -0.06 0.00 -0.00 0.00 0.00 58.89 58.67 2gaq h TRP 87 Cb 0.02 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 28.89 2gaq h TRP 87 CO 0.00 0.90 -0.06 0.22 -0.00 0.00 0.00 178.44 179.50 2gaq h ASP 88 N 0.85 0.58 -0.46 2.65 1.82 -1.01 0.26 116.42 121.11 2gaq h ASP 88 Ca 0.17 -0.36 -0.08 0.00 -0.39 0.00 0.00 57.03 56.37 2gaq h ASP 88 Cb 0.45 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 2gaq h ASP 88 CO 0.02 0.80 -0.03 -0.07 -1.61 0.00 0.00 179.24 178.35 2gaq h LEU 89 N 0.35 0.83 -0.22 2.28 3.38 -0.61 0.64 115.31 121.97 2gaq h LEU 89 Ca 0.08 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2gaq h LEU 89 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2gaq h LEU 89 CO 0.03 0.95 0.04 1.88 0.09 0.00 0.00 178.44 181.43 2gaq h TYR 90 N 0.68 0.37 -0.18 1.13 0.05 0.82 -0.04 116.97 119.81 2gaq h TYR 90 Ca 0.13 -0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.74 2gaq h TYR 90 Cb 0.55 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2gaq h TYR 90 CO 0.04 0.48 -0.34 -0.92 -1.05 0.00 0.00 178.16 176.37 2gaq h TYR 91 N 0.16 0.68 -0.74 4.88 3.20 -0.34 0.37 116.97 125.18 2gaq h TYR 91 Ca 0.07 -0.24 0.03 0.00 3.14 0.00 0.00 58.73 61.73 2gaq h TYR 91 Cb 0.30 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2gaq h TYR 91 CO 0.02 0.97 0.46 1.25 -1.64 0.00 0.00 178.16 179.22 2gaq h HIS 92 N 0.19 0.87 0.03 -3.82 2.76 0.31 -2.26 115.15 113.23 2gaq h HIS 92 Ca 0.01 0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 57.98 2gaq h HIS 92 Cb 0.93 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 2gaq h HIS 92 CO 0.09 0.49 -1.00 -0.24 -1.30 0.00 0.00 177.93 175.97 2gaq h VAL 93 N 0.90 1.58 -0.84 5.26 3.04 -0.94 -2.91 116.25 122.34 2gaq h VAL 93 Ca 0.30 -3.03 0.24 0.00 -1.01 0.00 0.00 66.70 63.20 2gaq h VAL 93 Cb 0.02 2.72 -0.03 0.00 -2.01 0.00 0.00 31.29 31.99 2gaq h VAL 93 CO -0.11 0.87 0.61 0.15 -1.01 0.00 0.00 177.57 178.08 2gaq h PHE 94 N 0.05 0.00 0.00 3.17 3.57 0.34 0.46 116.94 124.53 2gaq h PHE 94 Ca -0.05 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.16 2gaq h PHE 94 Cb 1.71 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.39 2gaq h PHE 94 CO 0.02 0.00 -1.88 0.54 -2.23 0.00 0.00 178.31 174.76 2gaq n ARG 95 N -4.27 0.65 0.09 1.11 1.74 -1.11 -3.45 116.66 111.43 2gaq n ARG 95 Ca 0.17 0.19 -0.05 0.00 -0.77 0.00 0.00 57.85 57.39 2gaq n ARG 95 Cb 0.91 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.62 2gaq n ARG 95 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gaq h ARG 96 N 0.00 -0.29 0.00 5.56 3.08 -0.59 -3.29 114.38 118.86 2gaq h ARG 96 Ca -0.34 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2gaq h ARG 96 Cb 2.01 0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.12 2gaq h ARG 96 CO 0.06 -0.19 0.00 -0.84 -1.07 0.00 0.00 179.97 177.93 2gaq h ILE 97 N -0.80 0.00 -0.02 2.04 -0.00 -0.48 -2.40 117.51 115.85 2gaq h ILE 97 Ca -0.03 -0.11 0.03 0.00 -0.00 0.00 0.00 64.86 64.75 2gaq h ILE 97 Cb 0.23 0.73 -0.05 0.00 -0.00 0.00 0.00 36.82 37.73 2gaq h ILE 97 CO 0.05 0.00 -0.33 0.77 -0.00 0.00 0.00 178.15 178.64 2gaq h SER 98 N 0.00 -0.99 0.00 2.16 4.64 -1.62 -3.43 113.55 114.31 2gaq h SER 98 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2gaq h SER 98 Cb 0.17 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2gaq h SER 98 CO 0.00 -0.39 0.00 2.29 -0.87 0.00 0.00 176.83 177.86 2gaq n LYS 99 N -5.42 0.00 0.00 4.77 2.85 -1.21 -5.02 118.16 114.13 2gaq n LYS 99 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2gaq n LYS 99 Cb 0.33 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29