#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 -1.90 -0.06 -4.62 -0.00 -1.26 -4.90 117.00 104.26 2gaq n LEU 2 Ca 0.00 -1.07 -0.09 0.00 -0.00 0.00 0.00 56.01 54.85 2gaq n LEU 2 Cb 0.00 -2.03 -0.05 0.00 -0.00 0.00 0.00 43.42 41.34 2gaq n LEU 2 CO 0.00 0.51 -0.90 2.30 -0.00 0.00 0.00 177.39 179.31 2gaq n ILE 3 N -4.18 0.69 0.00 1.47 -0.00 -1.26 -4.66 119.36 111.43 2gaq n ILE 3 Ca -0.13 -0.26 0.00 0.00 -0.00 0.00 0.00 62.75 62.37 2gaq n ILE 3 Cb 0.59 -0.98 0.00 0.00 -0.00 0.00 0.00 39.64 39.25 2gaq n ILE 3 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2gaq n ARG 4 N -2.91 0.00 0.25 6.28 1.74 -1.26 -4.76 116.66 116.00 2gaq n ARG 4 Ca -0.22 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.94 2gaq n ARG 4 Cb 0.72 -0.34 0.59 0.00 -1.02 0.00 0.00 32.46 32.41 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2gaq h VAL 5 N 0.00 1.03 -3.93 1.55 3.04 -1.99 -3.47 116.25 112.49 2gaq h VAL 5 Ca 0.00 -0.29 -0.35 0.00 -1.01 0.00 0.00 66.70 65.05 2gaq h VAL 5 Cb 0.64 1.16 0.05 0.00 -2.01 0.00 0.00 31.29 31.13 2gaq h VAL 5 CO 0.00 0.08 -0.53 0.00 -1.01 0.00 0.00 177.57 176.11 2gaq n ALA 6 N -2.51 -0.84 -2.54 3.17 0.00 -1.26 -4.00 120.51 112.53 2gaq n ALA 6 Ca -0.03 0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.50 2gaq n ALA 6 Cb 0.16 -3.46 0.02 0.00 0.00 0.00 0.00 19.45 16.17 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 -4.36 -2.11 -0.46 0.00 0.00 -1.26 -4.91 119.36 106.27 2gaq n ILE 7 Ca -0.10 0.16 -0.11 0.00 0.00 0.00 0.00 62.75 62.70 2gaq n ILE 7 Cb 0.61 -2.22 0.10 0.00 0.00 0.00 0.00 39.64 38.12 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 0.31 0.00 -0.05 9.51 4.77 -1.26 -4.99 117.00 125.30 2gaq n LEU 8 Ca -0.04 -0.38 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 2gaq n LEU 8 Cb 0.41 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 2gaq n LEU 8 CO 0.23 -1.64 -0.84 0.79 -1.33 0.00 0.00 177.39 174.61 2gaq n TRP 9 N -3.61 0.67 -0.25 -1.77 8.01 -1.26 -3.88 117.44 115.35 2gaq n TRP 9 Ca 0.05 0.21 0.23 0.00 -1.31 0.00 0.00 57.50 56.68 2gaq n TRP 9 Cb 0.21 -1.11 0.57 0.00 -2.01 0.00 0.00 31.31 28.97 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 0.01 0.42 0.12 -5.99 -0.00 -1.91 0.86 115.15 108.65 2gaq h HIS 10 Ca -0.41 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 59.96 2gaq h HIS 10 Cb 2.07 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 29.36 2gaq h HIS 10 CO 0.02 0.08 -0.06 0.93 -0.00 0.00 0.00 177.93 178.90 2gaq h GLU 11 N 0.29 -0.15 -0.12 5.26 4.39 -1.95 -2.91 114.58 119.38 2gaq h GLU 11 Ca 0.50 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 60.05 2gaq h GLU 11 Cb 1.44 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 30.13 2gaq h GLU 11 CO -0.16 0.23 -0.53 0.00 -1.16 0.00 0.00 179.01 177.39 2gaq h MET 12 N -0.57 0.57 -0.99 2.33 -0.00 -1.15 -3.30 114.93 111.82 2gaq h MET 12 Ca -0.02 -0.45 0.20 0.00 -0.00 0.00 0.00 59.70 59.43 2gaq h MET 12 Cb 0.45 0.09 -0.10 0.00 -0.00 0.00 0.00 31.60 32.05 2gaq h MET 12 CO 0.03 1.08 0.62 -1.49 -0.00 0.00 0.00 176.91 177.14 2gaq h TRP 13 N 0.19 0.92 0.00 -0.10 -0.00 0.60 1.02 115.95 118.58 2gaq h TRP 13 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2gaq h TRP 13 Cb 1.17 -0.28 0.00 0.00 -0.00 0.00 0.00 29.16 30.05 2gaq h TRP 13 CO 0.11 0.21 0.00 0.72 -0.00 0.00 0.00 178.44 179.48 2gaq n HIS 14 N -4.69 0.00 -0.15 0.49 8.25 -1.10 0.38 115.22 118.40 2gaq n HIS 14 Ca 0.22 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.57 2gaq n HIS 14 Cb 0.62 -0.44 0.01 0.00 1.12 0.00 0.00 29.99 31.29 2gaq n HIS 14 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2gaq h GLU 15 N 0.00 0.97 -0.44 -0.41 5.08 -1.30 -2.44 114.58 116.05 2gaq h GLU 15 Ca 0.00 -0.42 0.12 0.00 -1.00 0.00 0.00 59.36 58.06 2gaq h GLU 15 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2gaq h GLU 15 CO 0.00 1.09 0.31 0.78 -1.00 0.00 0.00 179.01 180.19 2gaq h GLY 16 N 0.88 0.06 1.31 -3.84 0.00 0.11 0.96 103.07 102.56 2gaq h GLY 16 Ca 0.11 -0.02 -0.24 0.00 0.00 0.00 0.00 47.33 47.18 2gaq h GLY 16 CO 0.07 0.01 -0.90 1.41 0.00 0.00 0.00 176.54 177.13 2gaq h LEU 17 N 0.04 0.80 -0.11 3.11 3.38 0.18 -3.08 115.31 119.63 2gaq h LEU 17 Ca 0.21 -0.59 -0.16 0.00 0.09 0.00 0.00 57.88 57.43 2gaq h LEU 17 Cb 0.77 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.29 2gaq h LEU 17 CO -0.01 1.38 -0.55 -0.08 0.09 0.00 0.00 178.44 179.27 2gaq h GLU 18 N 0.40 0.57 0.00 1.13 4.81 -0.26 0.88 114.58 122.11 2gaq h GLU 18 Ca -0.08 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2gaq h GLU 18 Cb 1.53 0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.01 2gaq h GLU 18 CO 0.17 1.09 0.00 -1.91 -0.73 0.00 0.00 179.01 177.63 2gaq n GLU 19 N -4.18 0.19 0.02 1.92 4.07 0.31 -0.13 120.64 122.84 2gaq n GLU 19 Ca -0.08 0.14 -0.02 0.00 -0.06 0.00 0.00 57.16 57.14 2gaq n GLU 19 Cb 0.63 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.50 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 -1.21 2.67 0.15 4.31 0.00 -0.99 -4.46 120.51 120.98 2gaq n ALA 20 Ca 0.06 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2gaq n ALA 20 Cb 0.07 0.26 0.65 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.16 0.03 -0.07 0.00 0.02 0.83 -1.09 113.55 113.11 2gaq h SER 21 Ca -0.02 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2gaq h SER 21 Cb 0.36 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2gaq h SER 21 CO -0.01 0.02 -0.14 -0.09 -1.14 0.00 0.00 176.83 175.46 2gaq h ARG 22 N 0.03 0.23 0.00 3.45 2.43 -0.67 0.57 114.38 120.41 2gaq h ARG 22 Ca 0.10 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2gaq h ARG 22 Cb 0.38 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2gaq h ARG 22 CO -0.00 0.73 0.41 -0.07 -1.51 0.00 0.00 179.97 179.53 2gaq h LEU 23 N -0.25 0.00 0.00 3.80 4.07 -1.38 -0.54 115.31 121.01 2gaq h LEU 23 Ca 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.68 2gaq h LEU 23 Cb 0.72 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.41 2gaq h LEU 23 CO 0.03 0.00 -2.08 0.00 -1.08 0.00 0.00 178.44 175.31 2gaq n TYR 24 N -2.83 0.00 -0.18 1.13 9.36 -1.03 -0.54 117.16 123.08 2gaq n TYR 24 Ca -0.02 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.19 2gaq n TYR 24 Cb 0.45 -0.77 0.08 0.00 -0.63 0.00 0.00 39.34 38.48 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 0.30 0.00 2.98 3.57 0.18 -3.37 116.94 120.60 2gaq h PHE 25 Ca -0.43 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 60.97 2gaq h PHE 25 Cb 1.92 -0.05 -0.12 0.00 2.79 0.00 0.00 35.95 40.49 2gaq h PHE 25 CO 0.00 0.07 -0.25 0.41 -2.23 0.00 0.00 178.31 176.31 2gaq n GLY 26 N -1.28 0.88 0.06 2.40 0.00 -1.01 -4.95 105.19 101.29 2gaq n GLY 26 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.51 3.76 -2.86 1.61 4.71 -1.20 -5.01 120.64 121.13 2gaq n GLU 27 Ca -0.22 -0.24 -0.12 0.00 -0.01 0.00 0.00 57.16 56.57 2gaq n GLU 27 Cb 0.72 -0.82 -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 0.54 0.09 0.00 0.00 177.13 177.76 2gaq n ARG 28 N -0.67 -2.63 -3.75 3.49 1.74 -1.05 -4.87 116.66 108.92 2gaq n ARG 28 Ca 0.01 0.25 -0.28 0.00 -0.77 0.00 0.00 57.85 57.06 2gaq n ARG 28 Cb 0.08 -4.82 -0.12 0.00 -1.02 0.00 0.00 32.46 26.58 2gaq n ARG 28 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2gaq s ASN 29 N -2.27 3.76 0.10 0.55 3.84 0.30 -4.90 114.94 116.32 2gaq s ASN 29 Ca 0.16 -3.47 -0.08 0.00 0.21 0.00 0.00 52.86 49.69 2gaq s ASN 29 Cb -0.09 -1.25 -0.18 0.00 -0.55 0.00 0.00 41.25 39.18 2gaq s ASN 29 CO 0.20 -0.13 1.22 0.58 -2.79 0.00 0.00 177.10 176.18 2gaq h VAL 30 N 4.61 1.37 -0.60 -5.21 2.07 -1.90 -2.49 116.25 114.09 2gaq h VAL 30 Ca 0.15 -2.51 0.08 0.00 0.82 0.00 0.00 66.70 65.25 2gaq h VAL 30 Cb 0.82 2.54 -0.04 0.00 -1.52 0.00 0.00 31.29 33.10 2gaq h VAL 30 CO 0.60 0.75 0.40 0.50 0.02 0.00 0.00 177.57 179.84 2gaq h LYS 31 N 0.24 0.47 0.08 1.57 1.63 -1.94 0.14 116.57 118.76 2gaq h LYS 31 Ca -0.12 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2gaq h LYS 31 Cb 1.72 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.24 2gaq h LYS 31 CO 0.19 0.31 -0.04 0.78 -3.45 0.00 0.00 179.45 177.25 2gaq h GLY 32 N 0.49 -0.11 0.68 5.01 0.00 -1.91 -3.14 103.07 104.08 2gaq h GLY 32 Ca 0.27 0.04 0.17 0.00 0.00 0.00 0.00 47.33 47.81 2gaq h GLY 32 CO -0.08 -0.04 0.49 0.00 0.00 0.00 0.00 176.54 176.91 2gaq h MET 33 N -0.83 0.21 0.00 4.80 -0.00 -0.98 0.14 114.93 118.27 2gaq h MET 33 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 2gaq h MET 33 Cb 0.60 -0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 32.15 2gaq h MET 33 CO 0.02 0.14 -0.06 0.35 -0.00 0.00 0.00 176.91 177.36 2gaq h PHE 34 N 0.22 0.00 -0.00 -0.10 3.57 -0.96 0.27 116.94 119.94 2gaq h PHE 34 Ca 0.35 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 2gaq h PHE 34 Cb 1.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2gaq h PHE 34 CO -0.00 0.06 -0.15 1.49 -2.23 0.00 0.00 178.31 177.48 2gaq h GLU 35 N 0.00 0.10 -0.04 1.11 4.57 -0.67 0.25 114.58 119.90 2gaq h GLU 35 Ca -0.00 -0.11 -0.17 0.00 -1.18 0.00 0.00 59.36 57.90 2gaq h GLU 35 Cb 0.43 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2gaq h GLU 35 CO 0.01 0.87 -0.71 -0.24 -1.18 0.00 0.00 179.01 177.76 2gaq h VAL 36 N -0.62 1.42 -0.38 0.32 3.04 -1.55 -3.16 116.25 115.33 2gaq h VAL 36 Ca -0.02 -2.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.45 2gaq h VAL 36 Cb 0.92 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 2gaq h VAL 36 CO 0.03 0.65 0.00 -0.11 -1.01 0.00 0.00 177.57 177.13 2gaq n LEU 37 N -3.79 2.28 -0.05 3.16 7.94 0.07 -3.10 117.00 123.51 2gaq n LEU 37 Ca -0.03 -1.14 -0.03 0.00 -1.11 0.00 0.00 56.01 53.70 2gaq n LEU 37 Cb 0.69 -0.31 -0.01 0.00 0.53 0.00 0.00 43.42 44.32 2gaq n LEU 37 CO 0.46 0.51 -0.20 -0.33 -1.11 0.00 0.00 177.39 176.72 2gaq h GLU 38 N 2.24 0.00 0.02 1.96 4.39 -0.45 -3.23 114.58 119.51 2gaq h GLU 38 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2gaq h GLU 38 Cb 0.63 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2gaq h GLU 38 CO 0.04 0.00 -1.05 -1.00 -1.16 0.00 0.00 179.01 175.83 2gaq h PRO 39 N -0.74 0.62 0.00 2.33 0.13 -1.71 -2.92 132.00 129.71 2gaq h PRO 39 Ca 0.00 -0.69 -0.01 0.00 -0.87 0.00 0.00 66.00 64.43 2gaq h PRO 39 Cb 0.29 0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 2gaq h PRO 39 CO 0.00 1.28 -0.03 1.25 -0.23 0.00 0.00 178.00 180.27 2gaq h LEU 40 N 0.34 0.00 0.25 1.56 5.85 -1.78 0.68 115.31 122.20 2gaq h LEU 40 Ca -0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2gaq h LEU 40 Cb 1.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.74 2gaq h LEU 40 CO 0.20 0.03 -0.12 -0.74 -0.34 0.00 0.00 178.44 177.47 2gaq h HIS 41 N 0.00 -0.31 -0.10 1.25 2.76 -1.54 -2.79 115.15 114.42 2gaq h HIS 41 Ca -0.00 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.00 2gaq h HIS 41 Cb 0.06 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2gaq h HIS 41 CO 0.00 0.02 -0.62 0.00 -1.30 0.00 0.00 177.93 176.03 2gaq h ALA 42 N -0.08 0.75 -0.81 5.26 0.00 -1.06 -2.63 119.26 120.69 2gaq h ALA 42 Ca -0.03 -0.55 0.19 0.00 0.00 0.00 0.00 54.91 54.51 2gaq h ALA 42 Cb 0.48 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2gaq h ALA 42 CO 0.06 0.73 0.55 0.52 0.00 0.00 0.00 179.25 181.10 2gaq h MET 43 N 0.26 0.30 0.00 0.00 2.07 0.24 0.24 114.93 118.04 2gaq h MET 43 Ca -0.01 -0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 2gaq h MET 43 Cb 1.15 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.81 2gaq h MET 43 CO 0.10 0.20 -0.21 1.98 1.07 0.00 0.00 176.91 180.06 2gaq h MET 44 N 0.31 0.00 0.00 1.72 -1.53 -1.17 -3.23 114.93 111.04 2gaq h MET 44 Ca 0.41 0.00 -0.37 0.00 -3.44 0.00 0.00 59.70 56.29 2gaq h MET 44 Cb 1.12 0.00 -0.07 0.00 -0.55 0.00 0.00 31.60 32.10 2gaq h MET 44 CO -0.12 0.21 -2.40 -1.91 0.14 0.00 0.00 176.91 172.83 2gaq n GLU 45 N -3.48 0.68 -0.29 0.39 2.13 0.58 -4.20 120.64 116.45 2gaq n GLU 45 Ca -0.01 0.04 0.25 0.00 0.66 0.00 0.00 57.16 58.11 2gaq n GLU 45 Cb 0.38 -1.53 0.58 0.00 0.27 0.00 0.00 31.44 31.14 2gaq n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gaq h ARG 46 N 0.00 0.27 -6.59 5.31 3.08 -0.87 -3.46 114.38 112.12 2gaq h ARG 46 Ca -0.55 -0.02 -0.52 0.00 0.07 0.00 0.00 59.98 58.96 2gaq h ARG 46 Cb 2.14 -0.06 -0.13 0.00 0.08 0.00 0.00 29.97 32.01 2gaq h ARG 46 CO -0.00 0.18 -0.85 0.41 -1.07 0.00 0.00 179.97 178.64 2gaq n GLY 47 N -1.56 -0.36 0.16 0.04 0.00 -1.25 -4.88 105.19 97.34 2gaq n GLY 47 Ca 0.23 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.23 2gaq n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gaq h PRO 48 N -1.71 0.51 0.00 1.61 0.13 -1.89 -3.45 132.00 127.19 2gaq h PRO 48 Ca -0.61 -0.47 -0.12 0.00 -0.87 0.00 0.00 66.00 63.93 2gaq h PRO 48 Cb 1.38 0.12 0.07 0.00 0.13 0.00 0.00 31.00 32.70 2gaq h PRO 48 CO 0.71 1.11 -0.06 1.04 -0.23 0.00 0.00 178.00 180.56 2gaq n GLN 49 N -4.18 -2.96 0.00 0.86 6.02 -1.26 -5.04 117.38 110.81 2gaq n GLN 49 Ca -0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.40 2gaq n GLN 49 Cb 0.66 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 31.27 2gaq n GLN 49 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2gaq n THR 50 N -3.96 0.00 -2.58 5.09 5.66 -1.26 -4.95 114.28 112.29 2gaq n THR 50 Ca 0.05 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.03 2gaq n THR 50 Cb 0.21 -0.91 0.08 0.00 -1.55 0.00 0.00 70.33 68.16 2gaq n THR 50 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2gaq n LEU 51 N 0.00 -0.95 -0.12 1.09 4.32 -1.26 -4.93 117.00 115.15 2gaq n LEU 51 Ca 0.00 -2.40 0.05 0.00 -0.02 0.00 0.00 56.01 53.63 2gaq n LEU 51 Cb 0.00 0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 42.16 2gaq n LEU 51 CO 0.00 1.46 0.10 0.29 -1.22 0.00 0.00 177.39 178.02 2gaq n LYS 52 N -0.98 2.91 -3.00 3.23 5.02 -1.26 -4.72 118.16 119.37 2gaq n LYS 52 Ca -0.12 -0.32 -0.32 0.00 -2.02 0.00 0.00 58.31 55.53 2gaq n LYS 52 Cb 0.74 -1.02 -0.03 0.00 -0.02 0.00 0.00 35.03 34.70 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 -0.72 3.74 -2.70 1.97 4.71 -1.26 -4.62 120.64 121.76 2gaq n GLU 53 Ca 0.03 -4.73 -0.07 0.00 -0.01 0.00 0.00 57.16 52.38 2gaq n GLU 53 Cb 0.18 -2.33 0.10 0.00 -1.01 0.00 0.00 31.44 28.38 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 0.29 0.00 -0.00 2.62 -1.04 -1.26 -4.87 114.28 110.01 2gaq n THR 54 Ca 0.34 -1.15 -0.22 0.00 -2.04 0.00 0.00 64.05 60.98 2gaq n THR 54 Cb 0.36 1.32 -0.14 0.00 -1.82 0.00 0.00 70.33 70.05 2gaq n THR 54 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2gaq h SER 55 N 2.63 0.37 -0.01 8.00 0.87 -1.96 -3.31 113.55 120.16 2gaq h SER 55 Ca -0.19 -0.86 -0.13 0.00 -1.23 0.00 0.00 61.79 59.38 2gaq h SER 55 Cb 1.15 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2gaq h SER 55 CO 0.07 1.74 -0.50 2.19 -0.53 0.00 0.00 176.83 179.80 2gaq h PHE 56 N -0.18 0.51 0.00 2.24 -0.00 -1.95 -3.02 116.94 114.54 2gaq h PHE 56 Ca -0.37 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.97 57.32 2gaq h PHE 56 Cb 1.86 -0.06 -0.00 0.00 -0.00 0.00 0.00 35.95 37.75 2gaq h PHE 56 CO 0.10 1.08 -0.01 -0.97 -0.00 0.00 0.00 178.31 178.51 2gaq h ASN 57 N -0.21 0.00 0.18 -0.68 -1.24 -1.77 0.45 115.58 112.31 2gaq h ASN 57 Ca -0.06 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 2gaq h ASN 57 Cb 1.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.27 2gaq h ASN 57 CO 0.10 0.01 -0.09 -0.61 -1.29 0.00 0.00 177.43 175.55 2gaq h GLN 58 N 0.00 -0.24 0.00 6.67 5.75 -1.63 -3.36 115.11 122.31 2gaq h GLN 58 Ca -0.00 0.02 -0.17 0.00 -0.15 0.00 0.00 58.65 58.34 2gaq h GLN 58 Cb 0.09 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 2gaq h GLN 58 CO 0.00 -0.16 -1.34 0.00 -2.65 0.00 0.00 178.83 174.68 2gaq n ALA 59 N -2.58 0.84 -0.38 3.38 0.00 -1.04 -4.50 120.51 116.23 2gaq n ALA 59 Ca -0.03 -0.72 -0.02 0.00 0.00 0.00 0.00 53.44 52.66 2gaq n ALA 59 Cb 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 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 -4.44 0.00 0.11 0.00 4.01 0.15 -4.44 117.16 112.55 2gaq n TYR 60 Ca -0.27 -0.67 0.14 0.00 -0.16 0.00 0.00 57.90 56.94 2gaq n TYR 60 Cb 0.59 -0.61 0.65 0.00 -0.31 0.00 0.00 39.34 39.66 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 4.02 0.06 1.31 2.72 0.00 -1.61 0.58 103.07 110.15 2gaq h GLY 61 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2gaq h GLY 61 CO 0.10 0.01 -0.29 0.54 0.00 0.00 0.00 176.54 176.90 2gaq n ARG 62 N -4.46 0.08 0.00 4.80 1.74 -1.26 -2.65 116.66 114.90 2gaq n ARG 62 Ca 0.04 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2gaq n ARG 62 Cb 0.35 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 2gaq n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2gaq n ASP 63 N -1.43 0.00 -0.23 0.55 -0.08 0.20 -4.56 116.55 111.00 2gaq n ASP 63 Ca 0.07 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.44 2gaq n ASP 63 Cb 0.33 0.00 0.17 0.00 2.34 0.00 0.00 41.12 43.97 2gaq n ASP 63 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2gaq n LEU 64 N 0.00 -0.11 -0.36 -2.67 0.00 -1.26 -0.10 117.00 112.51 2gaq n LEU 64 Ca 0.00 1.11 0.01 0.00 0.00 0.00 0.00 56.01 57.13 2gaq n LEU 64 Cb 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 43.42 43.09 2gaq n LEU 64 CO 0.00 -1.12 0.61 -0.03 0.00 0.00 0.00 177.39 176.86 2gaq h MET 65 N 0.00 -0.01 0.14 1.96 4.05 -1.76 0.34 114.93 119.65 2gaq h MET 65 Ca 0.38 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.51 2gaq h MET 65 Cb 0.75 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.56 2gaq h MET 65 CO -0.63 -0.01 -1.33 0.93 0.23 0.00 0.00 176.91 176.11 2gaq h GLU 66 N -0.01 0.30 -0.15 0.39 3.07 -0.27 0.42 114.58 118.32 2gaq h GLU 66 Ca 0.37 -0.50 0.04 0.00 -0.50 0.00 0.00 59.36 58.77 2gaq h GLU 66 Cb 0.63 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2gaq h GLU 66 CO -0.97 1.22 0.20 0.00 -1.40 0.00 0.00 179.01 178.06 2gaq h ALA 67 N 0.52 1.68 0.00 3.43 0.00 0.86 -1.47 119.26 124.29 2gaq h ALA 67 Ca -0.17 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 2gaq h ALA 67 Cb 2.00 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 2gaq h ALA 67 CO 0.20 -0.28 -2.02 0.00 0.00 0.00 0.00 179.25 177.16 2gaq n GLN 68 N -3.64 0.95 0.33 0.00 10.64 0.10 -4.53 117.38 121.24 2gaq n GLN 68 Ca 0.01 0.06 0.17 0.00 -1.83 0.00 0.00 57.00 55.41 2gaq n GLN 68 Cb 0.31 -1.37 0.89 0.00 -0.86 0.00 0.00 30.24 29.22 2gaq n GLN 68 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2gaq h GLU 69 N 0.00 0.00 -1.62 2.61 4.81 0.14 -0.50 114.58 120.02 2gaq h GLU 69 Ca -0.40 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2gaq h GLU 69 Cb 1.74 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.09 2gaq h GLU 69 CO -0.03 0.00 0.07 0.91 -0.73 0.00 0.00 179.01 179.23 2gaq n TRP 70 N -2.95 0.28 -0.03 0.92 8.01 -0.92 -4.14 117.44 118.61 2gaq n TRP 70 Ca -0.02 -1.00 -0.14 0.00 -1.31 0.00 0.00 57.50 55.03 2gaq n TRP 70 Cb 0.33 -0.50 -0.11 0.00 -2.01 0.00 0.00 31.31 29.03 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2gaq h ARG 72 N -0.45 0.00 0.07 0.00 2.43 -1.86 0.54 114.38 115.10 2gaq h ARG 72 Ca -0.02 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.81 2gaq h ARG 72 Cb 0.87 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 2gaq h ARG 72 CO 0.04 0.01 -1.93 1.63 -1.51 0.00 0.00 179.97 178.21 2gaq n LYS 73 N -3.32 0.68 0.27 0.20 4.76 -1.18 -2.78 118.16 116.79 2gaq n LYS 73 Ca -0.03 0.32 0.16 0.00 -2.87 0.00 0.00 58.31 55.89 2gaq n LYS 73 Cb 0.10 -1.67 0.67 0.00 -1.84 0.00 0.00 35.03 32.28 2gaq n LYS 73 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2gaq h TYR 74 N -0.29 0.00 0.04 2.13 5.03 0.13 0.45 116.97 124.45 2gaq h TYR 74 Ca -0.45 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 60.63 2gaq h TYR 74 Cb 1.80 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 40.06 2gaq h TYR 74 CO 0.06 0.06 -1.24 0.52 -1.32 0.00 0.00 178.16 176.24 2gaq h MET 75 N 0.00 0.08 0.02 1.82 2.86 -0.13 -3.08 114.93 116.50 2gaq h MET 75 Ca -0.00 -0.14 -0.29 0.00 -2.06 0.00 0.00 59.70 57.21 2gaq h MET 75 Cb 0.52 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 2gaq h MET 75 CO 0.01 1.07 -1.58 1.17 1.06 0.00 0.00 176.91 178.64 2gaq n LYS 76 N -4.24 0.61 0.08 1.72 4.81 -1.12 -4.40 118.16 115.62 2gaq n LYS 76 Ca -0.28 0.47 -0.14 0.00 -0.87 0.00 0.00 58.31 57.49 2gaq n LYS 76 Cb 0.75 -1.71 -0.08 0.00 0.02 0.00 0.00 35.03 34.02 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 -0.78 0.48 -3.80 3.14 0.87 -0.46 -3.47 113.55 109.53 2gaq h SER 77 Ca -0.41 -0.43 -0.20 0.00 -1.23 0.00 0.00 61.79 59.52 2gaq h SER 77 Cb 1.49 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 2gaq h SER 77 CO -0.18 1.26 -0.25 0.61 -0.53 0.00 0.00 176.83 177.74 2gaq n GLY 78 N 1.15 -0.36 3.69 5.77 0.00 0.71 -4.87 105.19 111.28 2gaq n GLY 78 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2gaq n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gaq s ASN 79 N -2.01 6.83 0.32 1.61 -0.87 -1.26 -4.91 114.94 114.65 2gaq s ASN 79 Ca 0.00 1.00 0.16 0.00 -1.57 0.00 0.00 52.86 52.45 2gaq s ASN 79 Cb 0.00 -2.38 0.87 0.00 -0.02 0.00 0.00 41.25 39.73 2gaq s ASN 79 CO 0.00 -0.19 1.43 0.52 -2.57 0.00 0.00 177.10 176.28 2gaq n VAL 80 N 4.23 0.78 0.25 1.60 0.31 -1.26 -0.61 118.33 123.63 2gaq n VAL 80 Ca -0.01 0.74 0.18 0.00 -0.01 0.00 0.00 64.34 65.24 2gaq n VAL 80 Cb 0.50 -1.74 0.88 0.00 -0.91 0.00 0.00 33.84 32.57 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 0.00 5.55 1.79 -1.99 0.75 116.57 122.68 2gaq h LYS 81 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 2gaq h LYS 81 Cb 0.38 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 2gaq h LYS 81 CO 0.00 0.00 -1.64 -0.25 -1.08 0.00 0.00 179.45 176.48 2gaq n ASP 82 N -3.41 0.87 0.02 0.86 8.00 0.22 -3.94 116.55 119.18 2gaq n ASP 82 Ca 0.01 0.41 -0.22 0.00 0.71 0.00 0.00 54.79 55.70 2gaq n ASP 82 Cb 0.35 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.00 0.44 -1.92 0.64 7.12 -0.61 0.24 115.31 121.22 2gaq h LEU 83 Ca -0.26 -0.88 0.12 0.00 0.13 0.00 0.00 57.88 56.99 2gaq h LEU 83 Cb 1.91 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.88 2gaq h LEU 83 CO 0.07 1.71 0.48 0.00 -0.13 0.00 0.00 178.44 180.56 2gaq h THR 84 N -0.15 0.32 0.00 1.05 1.03 0.12 0.62 112.91 115.91 2gaq h THR 84 Ca -0.34 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 65.71 2gaq h THR 84 Cb 1.89 0.61 -0.06 0.00 -1.07 0.00 0.00 68.15 69.52 2gaq h THR 84 CO 0.09 0.00 -2.32 0.00 -0.01 0.00 0.00 175.52 173.27 2gaq n GLN 85 N -3.61 0.58 0.04 0.00 3.00 -1.23 -3.99 117.38 112.18 2gaq n GLN 85 Ca 0.07 0.14 0.04 0.00 -0.01 0.00 0.00 57.00 57.24 2gaq n GLN 85 Cb 0.65 -1.46 0.43 0.00 0.00 0.00 0.00 30.24 29.85 2gaq n GLN 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2gaq h ALA 86 N -0.05 1.67 -0.66 -1.58 0.00 0.34 0.20 119.26 119.18 2gaq h ALA 86 Ca -0.52 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.35 2gaq h ALA 86 Cb 1.79 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2gaq h ALA 86 CO -0.10 0.27 0.41 2.35 0.00 0.00 0.00 179.25 182.18 2gaq h TRP 87 N 0.45 0.76 -0.40 0.00 2.91 0.03 0.80 115.95 120.49 2gaq h TRP 87 Ca 0.12 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.07 2gaq h TRP 87 Cb 0.05 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.44 2gaq h TRP 87 CO 0.00 0.43 -0.09 0.22 -1.03 0.00 0.00 178.44 177.97 2gaq h ASP 88 N 0.79 0.78 -0.43 2.65 3.58 -1.17 0.40 116.42 123.03 2gaq h ASP 88 Ca 0.27 -0.36 -0.11 0.00 0.42 0.00 0.00 57.03 57.25 2gaq h ASP 88 Cb 0.03 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2gaq h ASP 88 CO -0.11 0.96 -0.16 -0.07 -2.88 0.00 0.00 179.24 176.98 2gaq h LEU 89 N 0.59 0.89 -0.22 2.28 3.38 -0.06 0.54 115.31 122.71 2gaq h LEU 89 Ca 0.10 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2gaq h LEU 89 Cb 0.62 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2gaq h LEU 89 CO 0.04 1.08 0.08 1.88 0.09 0.00 0.00 178.44 181.61 2gaq h TYR 90 N 0.70 0.34 -0.21 1.13 0.05 0.84 0.41 116.97 120.24 2gaq h TYR 90 Ca 0.10 -0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.65 2gaq h TYR 90 Cb 0.72 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 38.36 2gaq h TYR 90 CO 0.05 0.39 -0.67 -0.92 -1.05 0.00 0.00 178.16 175.96 2gaq h TYR 91 N 0.20 1.07 -0.48 4.88 3.20 -0.07 0.20 116.97 125.97 2gaq h TYR 91 Ca 0.07 -0.43 -0.08 0.00 3.14 0.00 0.00 58.73 61.43 2gaq h TYR 91 Cb 0.20 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2gaq h TYR 91 CO -0.00 1.26 -0.01 1.25 -1.64 0.00 0.00 178.16 179.02 2gaq h HIS 92 N 0.60 0.94 0.00 -3.82 2.76 0.30 -2.64 115.15 113.28 2gaq h HIS 92 Ca -0.02 -0.17 -0.07 0.00 -2.20 0.00 0.00 60.37 57.91 2gaq h HIS 92 Cb 1.29 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 30.00 2gaq h HIS 92 CO 0.08 0.89 -0.33 -0.24 -1.30 0.00 0.00 177.93 177.03 2gaq h VAL 93 N 0.71 0.60 -0.65 5.26 3.04 -0.20 -3.18 116.25 121.83 2gaq h VAL 93 Ca 0.14 -1.69 0.19 0.00 -1.01 0.00 0.00 66.70 64.33 2gaq h VAL 93 Cb 0.52 2.17 -0.03 0.00 -2.01 0.00 0.00 31.29 31.95 2gaq h VAL 93 CO 0.03 0.32 0.55 0.15 -1.01 0.00 0.00 177.57 177.61 2gaq h PHE 94 N 0.00 0.00 0.00 3.17 3.04 -0.20 0.41 116.94 123.36 2gaq h PHE 94 Ca -0.00 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.65 2gaq h PHE 94 Cb 1.14 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.60 2gaq h PHE 94 CO 0.00 0.00 -2.22 -2.13 -2.02 0.00 0.00 178.31 171.94 2gaq n ARG 95 N -4.00 0.68 0.06 1.11 0.63 -1.21 -3.92 116.66 110.01 2gaq n ARG 95 Ca 0.13 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.03 2gaq n ARG 95 Cb 0.80 -1.56 -0.01 0.00 0.45 0.00 0.00 32.46 32.13 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 -0.17 0.00 -0.14 2.47 -0.56 -3.25 114.38 112.72 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 2.01 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 30.37 2gaq h ARG 96 CO 0.03 -0.12 -0.01 -0.84 0.56 0.00 0.00 179.97 179.59 2gaq h ILE 97 N -0.37 0.43 -0.13 2.04 3.07 -0.64 -1.82 117.51 120.08 2gaq h ILE 97 Ca -0.02 -0.06 0.02 0.00 1.55 0.00 0.00 64.86 66.35 2gaq h ILE 97 Cb 0.14 1.04 -0.04 0.00 -0.27 0.00 0.00 36.82 37.69 2gaq h ILE 97 CO 0.03 0.01 -0.27 -1.28 -1.05 0.00 0.00 178.15 175.59 2gaq h SER 98 N 0.00 -0.89 0.00 2.16 0.87 -1.63 -3.41 113.55 110.66 2gaq h SER 98 Ca -0.00 0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 2gaq h SER 98 Cb 0.04 0.35 -0.12 0.00 -0.44 0.00 0.00 62.40 62.23 2gaq h SER 98 CO 0.00 -0.22 -0.10 2.29 -0.53 0.00 0.00 176.83 178.27 2gaq n LYS 99 N -3.99 0.72 0.00 2.24 2.85 -1.21 -5.06 118.16 113.70 2gaq n LYS 99 Ca -0.02 -1.30 0.00 0.00 -1.05 0.00 0.00 58.31 55.93 2gaq n LYS 99 Cb 0.18 -0.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.51 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29