#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 -0.89 -1.60 -4.62 4.32 -1.26 -4.81 117.00 108.15 2gaq n LEU 2 Ca 0.00 2.03 -0.11 0.00 -0.02 0.00 0.00 56.01 57.92 2gaq n LEU 2 Cb 0.00 -4.42 -0.04 0.00 -1.62 0.00 0.00 43.42 37.34 2gaq n LEU 2 CO 0.00 -2.83 -0.11 2.30 -1.22 0.00 0.00 177.39 175.53 2gaq n ILE 3 N -4.27 -0.13 0.00 -0.08 -0.00 -1.26 -4.02 119.36 109.60 2gaq n ILE 3 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 2gaq n ILE 3 Cb 0.68 -1.14 0.00 0.00 -0.00 0.00 0.00 39.64 39.18 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 -1.97 0.00 0.01 6.28 1.85 -1.26 -4.95 116.66 116.62 2gaq n ARG 4 Ca -0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.57 2gaq n ARG 4 Cb 0.41 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.68 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 2gaq h VAL 5 N 0.00 0.81 -4.55 8.89 3.04 -1.93 -3.49 116.25 119.03 2gaq h VAL 5 Ca 0.00 -2.54 -0.25 0.00 -1.01 0.00 0.00 66.70 62.89 2gaq h VAL 5 Cb 0.00 2.55 0.11 0.00 -2.01 0.00 0.00 31.29 31.94 2gaq h VAL 5 CO 0.00 0.77 -0.52 0.00 -1.01 0.00 0.00 177.57 176.80 2gaq n ALA 6 N -2.80 -1.25 -2.10 3.17 0.00 -1.26 -4.14 120.51 112.12 2gaq n ALA 6 Ca -0.24 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2gaq n ALA 6 Cb 1.05 -2.71 0.01 0.00 0.00 0.00 0.00 19.45 17.80 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 -3.63 -1.50 -0.73 0.00 0.00 -1.26 -4.86 119.36 107.38 2gaq n ILE 7 Ca -0.13 0.16 -0.33 0.00 0.00 0.00 0.00 62.75 62.46 2gaq n ILE 7 Cb 0.59 -1.70 0.15 0.00 0.00 0.00 0.00 39.64 38.68 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 0.45 -1.21 -0.08 9.51 7.99 -1.26 -4.98 117.00 127.43 2gaq n LEU 8 Ca -0.02 0.11 -0.22 0.00 -0.01 0.00 0.00 56.01 55.86 2gaq n LEU 8 Cb 0.31 -1.09 -0.12 0.00 -0.11 0.00 0.00 43.42 42.40 2gaq n LEU 8 CO 0.14 -3.36 -0.92 0.79 -1.51 0.00 0.00 177.39 172.52 2gaq n TRP 9 N -4.03 0.76 -0.18 -1.77 8.01 -1.26 -3.58 117.44 115.39 2gaq n TRP 9 Ca 0.04 0.23 0.12 0.00 -1.31 0.00 0.00 57.50 56.58 2gaq n TRP 9 Cb 0.58 -1.09 0.44 0.00 -2.01 0.00 0.00 31.31 29.23 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 -0.44 0.62 -0.64 -5.99 -0.00 -1.93 0.44 115.15 107.21 2gaq h HIS 10 Ca -0.48 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 59.83 2gaq h HIS 10 Cb 1.72 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 28.91 2gaq h HIS 10 CO 0.05 0.26 0.06 0.93 -0.00 0.00 0.00 177.93 179.23 2gaq h GLU 11 N 0.55 1.09 0.23 5.26 4.39 -1.96 -2.74 114.58 121.40 2gaq h GLU 11 Ca 0.37 -0.31 -0.30 0.00 0.34 0.00 0.00 59.36 59.45 2gaq h GLU 11 Cb 0.66 -0.12 0.04 0.00 -0.10 0.00 0.00 28.75 29.23 2gaq h GLU 11 CO -0.13 1.02 -1.33 0.00 -1.16 0.00 0.00 179.01 177.41 2gaq h MET 12 N 1.01 0.49 -1.15 2.33 -0.00 -1.05 -3.35 114.93 113.21 2gaq h MET 12 Ca 0.19 -0.84 0.37 0.00 -0.00 0.00 0.00 59.70 59.42 2gaq h MET 12 Cb 0.49 0.31 -0.13 0.00 -0.00 0.00 0.00 31.60 32.27 2gaq h MET 12 CO 0.02 1.40 0.71 -1.49 -0.00 0.00 0.00 176.91 177.55 2gaq h TRP 13 N 0.03 0.70 -0.00 -0.10 4.06 0.09 1.02 115.95 121.74 2gaq h TRP 13 Ca -0.23 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.75 2gaq h TRP 13 Cb 2.05 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 30.02 2gaq h TRP 13 CO 0.15 -0.17 -0.07 0.45 -3.56 0.00 0.00 178.44 175.24 2gaq h HIS 14 N 0.21 -0.20 -0.38 0.49 3.86 -1.67 0.25 115.15 117.71 2gaq h HIS 14 Ca 0.75 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.87 2gaq h HIS 14 Cb 2.08 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 30.62 2gaq h HIS 14 CO -0.01 -0.07 -0.14 1.05 0.86 0.00 0.00 177.93 179.62 2gaq h GLU 15 N -0.08 0.77 -0.62 2.45 4.11 -0.81 -1.60 114.58 118.81 2gaq h GLU 15 Ca 0.00 -0.32 0.14 0.00 0.07 0.00 0.00 59.36 59.26 2gaq h GLU 15 Cb 0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2gaq h GLU 15 CO -0.05 0.93 0.42 0.78 0.07 0.00 0.00 179.01 181.17 2gaq h GLY 16 N 0.57 0.34 1.38 1.06 0.00 0.10 0.87 103.07 107.39 2gaq h GLY 16 Ca 0.09 -0.09 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2gaq h GLY 16 CO 0.05 0.04 -1.43 1.41 0.00 0.00 0.00 176.54 176.61 2gaq h LEU 17 N 0.21 0.45 0.42 3.11 3.38 -0.44 -3.17 115.31 119.27 2gaq h LEU 17 Ca 0.30 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2gaq h LEU 17 Cb 0.87 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2gaq h LEU 17 CO -0.06 1.45 -0.20 -0.08 0.09 0.00 0.00 178.44 179.64 2gaq h GLU 18 N 0.08 -0.54 -0.01 1.13 4.81 0.08 0.89 114.58 121.02 2gaq h GLU 18 Ca -0.21 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2gaq h GLU 18 Cb 2.02 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 31.52 2gaq h GLU 18 CO 0.19 -0.36 0.20 1.49 -0.73 0.00 0.00 179.01 179.80 2gaq h GLU 19 N -1.05 0.00 0.00 1.92 4.57 0.42 0.41 114.58 120.86 2gaq h GLU 19 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2gaq h GLU 19 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2gaq h GLU 19 CO 0.09 0.00 -0.21 0.00 -1.18 0.00 0.00 179.01 177.71 2gaq h ALA 20 N 1.61 0.00 -0.25 2.92 0.00 -1.45 -3.37 119.26 118.71 2gaq h ALA 20 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2gaq h ALA 20 Cb 0.41 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2gaq h ALA 20 CO -0.00 0.21 0.22 0.66 0.00 0.00 0.00 179.25 180.34 2gaq h SER 21 N -0.78 0.00 0.18 0.00 4.64 0.12 0.30 113.55 118.00 2gaq h SER 21 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2gaq h SER 21 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2gaq h SER 21 CO 0.00 0.00 -0.07 -0.09 -0.87 0.00 0.00 176.83 175.80 2gaq h ARG 22 N 0.00 0.00 0.00 4.77 2.43 -0.36 1.08 114.38 122.30 2gaq h ARG 22 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2gaq h ARG 22 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2gaq h ARG 22 CO -0.00 0.07 0.00 1.28 -1.51 0.00 0.00 179.97 179.81 2gaq n LEU 23 N -3.83 0.47 -0.02 3.80 7.99 0.11 -3.20 117.00 122.32 2gaq n LEU 23 Ca -0.02 0.56 -0.02 0.00 -0.01 0.00 0.00 56.01 56.51 2gaq n LEU 23 Cb 0.16 -0.43 -0.02 0.00 -0.11 0.00 0.00 43.42 43.03 2gaq n LEU 23 CO 0.30 -0.18 -0.61 0.00 -1.51 0.00 0.00 177.39 175.39 2gaq n TYR 24 N -1.96 0.00 0.10 -1.77 9.36 0.47 -0.40 117.16 122.96 2gaq n TYR 24 Ca 0.05 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.13 2gaq n TYR 24 Cb 0.35 -0.14 -0.08 0.00 -0.63 0.00 0.00 39.34 38.85 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 -1.23 -0.03 2.98 3.04 0.96 -3.33 116.94 119.32 2gaq h PHE 25 Ca -0.08 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.73 2gaq h PHE 25 Cb 1.15 0.53 -0.36 0.00 2.56 0.00 0.00 35.95 39.83 2gaq h PHE 25 CO 0.00 -0.52 -0.95 0.41 -2.02 0.00 0.00 178.31 175.22 2gaq n GLY 26 N -1.46 1.01 0.00 2.40 0.00 -1.22 -4.85 105.19 101.07 2gaq n GLY 26 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.35 4.08 -2.38 1.61 4.71 -1.19 -5.01 120.64 122.80 2gaq n GLU 27 Ca 0.02 -0.16 -0.04 0.00 -0.01 0.00 0.00 57.16 56.96 2gaq n GLU 27 Cb 1.07 -0.65 -0.00 0.00 -1.01 0.00 0.00 31.44 30.85 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 -0.63 -2.60 -3.23 3.49 1.74 -1.21 -4.84 116.66 109.38 2gaq n ARG 28 Ca 0.00 0.22 -0.24 0.00 -0.77 0.00 0.00 57.85 57.06 2gaq n ARG 28 Cb 0.00 -4.72 -0.06 0.00 -1.02 0.00 0.00 32.46 26.66 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 -1.45 1.60 0.02 0.55 2.85 0.47 -4.91 115.26 114.40 2gaq n ASN 29 Ca -0.05 -3.03 0.22 0.00 -0.11 0.00 0.00 54.58 51.61 2gaq n ASN 29 Cb 0.51 -0.64 0.72 0.00 1.24 0.00 0.00 39.78 41.62 2gaq n ASN 29 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 2gaq h VAL 30 N 2.23 0.41 -0.80 3.44 3.04 -1.87 0.15 116.25 122.85 2gaq h VAL 30 Ca 0.11 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.82 2gaq h VAL 30 Cb 0.80 0.60 -0.04 0.00 -2.01 0.00 0.00 31.29 30.64 2gaq h VAL 30 CO 0.60 0.00 0.53 0.50 -1.01 0.00 0.00 177.57 178.19 2gaq h LYS 31 N 0.00 1.02 -0.37 4.17 3.11 -1.91 -2.36 116.57 120.23 2gaq h LYS 31 Ca 0.26 -0.06 -0.10 0.00 -2.81 0.00 0.00 60.65 57.94 2gaq h LYS 31 Cb 1.29 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 32.28 2gaq h LYS 31 CO -0.00 0.68 -0.15 0.78 -2.81 0.00 0.00 179.45 177.94 2gaq h GLY 32 N 1.05 0.83 0.58 5.01 0.00 -0.98 -2.62 103.07 106.95 2gaq h GLY 32 Ca 0.30 -0.73 0.16 0.00 0.00 0.00 0.00 47.33 47.07 2gaq h GLY 32 CO -0.07 0.66 0.53 0.00 0.00 0.00 0.00 176.54 177.66 2gaq h MET 33 N 0.56 0.40 0.00 4.80 -0.00 -1.42 0.13 114.93 119.40 2gaq h MET 33 Ca 0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2gaq h MET 33 Cb 0.69 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 2gaq h MET 33 CO 0.05 0.26 0.00 0.74 -0.00 0.00 0.00 176.91 177.96 2gaq h PHE 34 N 0.41 0.00 0.03 -0.10 0.04 -1.22 0.11 116.94 116.20 2gaq h PHE 34 Ca 0.40 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.16 2gaq h PHE 34 Cb 0.94 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 2gaq h PHE 34 CO -0.00 0.00 -0.02 1.49 -0.60 0.00 0.00 178.31 179.18 2gaq h GLU 35 N 0.00 -0.04 0.00 1.51 4.57 -0.72 -0.07 114.58 119.83 2gaq h GLU 35 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2gaq h GLU 35 Cb 0.35 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2gaq h GLU 35 CO 0.00 0.23 -0.33 -0.24 -1.18 0.00 0.00 179.01 177.49 2gaq h VAL 36 N -1.00 0.75 0.00 0.32 3.04 -1.56 -2.93 116.25 114.87 2gaq h VAL 36 Ca -0.00 -1.43 -0.01 0.00 -1.01 0.00 0.00 66.70 64.25 2gaq h VAL 36 Cb 0.29 1.91 -0.00 0.00 -2.01 0.00 0.00 31.29 31.48 2gaq h VAL 36 CO 0.01 0.32 -0.59 0.25 -1.01 0.00 0.00 177.57 176.55 2gaq h LEU 37 N 0.00 0.00 -0.39 3.16 5.85 -0.93 -3.35 115.31 119.64 2gaq h LEU 37 Ca -0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2gaq h LEU 37 Cb 0.89 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 2gaq h LEU 37 CO 0.04 0.03 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.67 2gaq h GLU 38 N 0.00 -0.10 0.00 1.25 5.08 -0.80 0.77 114.58 120.78 2gaq h GLU 38 Ca -0.01 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2gaq h GLU 38 Cb 1.03 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2gaq h GLU 38 CO 0.00 -0.07 -0.08 -1.00 -1.00 0.00 0.00 179.01 176.87 2gaq h PRO 39 N -0.10 0.00 0.00 2.33 0.13 -1.72 -2.47 132.00 130.17 2gaq h PRO 39 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 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 -0.46 0.08 0.00 -0.07 -0.23 0.00 0.00 178.00 177.31 2gaq h LEU 40 N 0.00 0.00 0.06 1.56 3.38 -1.01 0.48 115.31 119.77 2gaq h LEU 40 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2gaq h LEU 40 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2gaq h LEU 40 CO 0.01 0.00 -0.57 -0.74 0.09 0.00 0.00 178.44 177.23 2gaq h HIS 41 N 0.00 0.21 0.04 1.13 2.76 -0.86 -3.29 115.15 115.14 2gaq h HIS 41 Ca 0.00 -0.16 -0.18 0.00 -2.20 0.00 0.00 60.37 57.83 2gaq h HIS 41 Cb 0.47 -0.01 0.02 0.00 1.55 0.00 0.00 27.41 29.44 2gaq h HIS 41 CO 0.00 1.22 -0.73 0.00 -1.30 0.00 0.00 177.93 177.12 2gaq h ALA 42 N -0.04 0.03 0.00 5.26 0.00 -1.36 -0.91 119.26 122.24 2gaq h ALA 42 Ca -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2gaq h ALA 42 Cb 1.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2gaq h ALA 42 CO 0.03 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2gaq h MET 43 N -0.10 0.00 0.00 0.00 -0.00 -0.30 0.48 114.93 115.02 2gaq h MET 43 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 2gaq h MET 43 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.06 2gaq h MET 43 CO 0.14 0.00 -1.44 -0.12 -0.00 0.00 0.00 176.91 175.49 2gaq n MET 44 N -3.05 0.35 -0.10 -0.10 0.00 -1.12 -4.58 117.12 108.52 2gaq n MET 44 Ca -0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 57.70 57.47 2gaq n MET 44 Cb 0.14 -1.53 -0.11 0.00 0.00 0.00 0.00 33.22 31.72 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 -1.93 0.83 -0.19 2.12 0.00 -0.11 -4.29 120.64 117.06 2gaq n GLU 45 Ca 0.00 0.07 0.25 0.00 0.00 0.00 0.00 57.16 57.48 2gaq n GLU 45 Cb 0.46 -1.43 0.66 0.00 0.00 0.00 0.00 31.44 31.13 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 0.11 0.00 5.31 2.43 -0.38 -3.48 114.38 118.38 2gaq h ARG 46 Ca -0.47 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2gaq h ARG 46 Cb 1.86 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.39 2gaq h ARG 46 CO -0.03 0.07 0.00 0.41 -1.51 0.00 0.00 179.97 178.91 2gaq n GLY 47 N -1.65 2.47 3.76 2.80 0.00 -1.26 -5.04 105.19 106.27 2gaq n GLY 47 Ca 0.18 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.81 2.51 0.00 1.61 0.04 -1.26 -5.00 135.00 129.09 2gaq s PRO 48 Ca 0.00 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2gaq s PRO 48 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2gaq s PRO 48 CO 0.00 -1.48 0.00 0.94 0.04 0.00 0.00 177.00 176.50 2gaq n GLN 49 N -2.74 0.00 0.00 4.56 -0.06 -1.26 -5.00 117.38 112.89 2gaq n GLN 49 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 2gaq n GLN 49 Cb 0.52 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.70 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 -0.81 0.00 0.00 1.69 5.66 -1.26 -4.97 114.28 114.59 2gaq n THR 50 Ca 0.00 0.52 0.00 0.00 -3.05 0.00 0.00 64.05 61.52 2gaq n THR 50 Cb 0.00 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.40 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 -0.03 0.00 0.00 1.09 4.77 -1.26 -5.06 117.00 116.51 2gaq n LEU 51 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2gaq n LEU 51 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2gaq n LEU 51 CO 0.00 0.00 -0.48 0.29 -1.33 0.00 0.00 177.39 175.87 2gaq n LYS 52 N 0.00 0.00 -1.03 3.23 5.02 -1.26 -4.81 118.16 119.30 2gaq n LYS 52 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2gaq n LYS 52 Cb 0.00 -0.60 -0.08 0.00 -0.02 0.00 0.00 35.03 34.33 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 -2.85 2.61 -2.66 1.97 0.00 -1.26 -4.00 120.64 114.45 2gaq n GLU 53 Ca 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 57.16 55.60 2gaq n GLU 53 Cb 0.48 -2.37 0.11 0.00 0.00 0.00 0.00 31.44 29.66 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 3.23 0.00 0.29 3.84 -1.04 -1.26 -4.76 114.28 114.58 2gaq n THR 54 Ca 0.56 -1.26 0.03 0.00 -2.04 0.00 0.00 64.05 61.34 2gaq n THR 54 Cb 0.47 0.96 0.02 0.00 -1.82 0.00 0.00 70.33 69.95 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 -0.86 1.32 -0.00 8.00 7.64 -1.26 -4.31 113.62 124.15 2gaq n SER 55 Ca -0.09 -1.16 -0.00 0.00 1.01 0.00 0.00 58.87 58.63 2gaq n SER 55 Cb 0.84 0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 64.24 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 0.08 0.00 0.19 1.43 -1.74 -1.26 -4.43 117.46 111.73 2gaq n PHE 56 Ca 0.04 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 56.99 2gaq n PHE 56 Cb 0.16 -0.02 0.34 0.00 1.52 0.00 0.00 39.48 41.48 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 0.00 1.46 5.98 -1.24 -1.82 0.39 115.58 120.35 2gaq h ASN 57 Ca -0.01 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.92 2gaq h ASN 57 Cb 1.02 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 2gaq h ASN 57 CO -0.00 0.33 -0.36 -0.61 -1.29 0.00 0.00 177.43 175.50 2gaq h GLN 58 N 0.00 0.00 0.00 6.67 5.75 -1.81 -3.11 115.11 122.61 2gaq h GLN 58 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2gaq h GLN 58 Cb 0.90 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.45 2gaq h GLN 58 CO 0.04 0.36 -0.18 0.00 -2.65 0.00 0.00 178.83 176.41 2gaq n ALA 59 N -2.20 2.47 -0.97 3.38 0.00 -1.20 -4.75 120.51 117.24 2gaq n ALA 59 Ca 0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 2gaq n ALA 59 Cb 0.64 0.16 -0.01 0.00 0.00 0.00 0.00 19.45 20.23 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 -3.45 1.12 0.25 0.00 4.01 0.14 -4.46 117.16 114.77 2gaq n TYR 60 Ca -0.03 -1.74 0.11 0.00 -0.16 0.00 0.00 57.90 56.08 2gaq n TYR 60 Cb 0.09 -1.04 0.67 0.00 -0.31 0.00 0.00 39.34 38.76 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 3.18 0.00 -0.38 2.72 0.00 -1.44 -0.88 103.07 106.26 2gaq h GLY 61 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2gaq h GLY 61 CO 0.60 0.00 -0.36 0.54 0.00 0.00 0.00 176.54 177.31 2gaq n ARG 62 N -3.77 1.03 0.00 4.80 1.74 -1.26 -3.55 116.66 115.66 2gaq n ARG 62 Ca -0.02 -0.75 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 2gaq n ARG 62 Cb 0.25 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 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 -0.33 0.00 -0.25 0.55 -0.08 -0.34 -4.36 116.55 111.74 2gaq n ASP 63 Ca 0.11 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.52 2gaq n ASP 63 Cb 0.41 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.12 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 -0.03 -0.35 -2.67 0.00 -1.26 -0.07 117.00 112.61 2gaq n LEU 64 Ca 0.00 1.24 -0.08 0.00 0.00 0.00 0.00 56.01 57.17 2gaq n LEU 64 Cb 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 43.42 42.87 2gaq n LEU 64 CO 0.00 -1.28 0.42 0.80 0.00 0.00 0.00 177.39 177.33 2gaq n MET 65 N -4.95 -0.35 0.09 1.96 1.56 -1.26 0.13 117.12 114.30 2gaq n MET 65 Ca 0.19 1.28 -0.17 0.00 -0.27 0.00 0.00 57.70 58.72 2gaq n MET 65 Cb 0.62 -1.88 -0.14 0.00 2.15 0.00 0.00 33.22 33.97 2gaq n MET 65 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 2gaq h GLU 66 N 0.00 0.29 -0.05 2.12 4.57 -0.55 -0.15 114.58 120.81 2gaq h GLU 66 Ca 0.15 -0.49 0.01 0.00 -1.18 0.00 0.00 59.36 57.86 2gaq h GLU 66 Cb 0.36 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2gaq h GLU 66 CO -0.80 1.19 0.17 0.00 -1.18 0.00 0.00 179.01 178.39 2gaq h ALA 67 N 0.49 1.33 0.00 2.92 0.00 0.71 -2.33 119.26 122.38 2gaq h ALA 67 Ca -0.20 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2gaq h ALA 67 Cb 2.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 2gaq h ALA 67 CO 0.19 -0.20 -1.61 0.94 0.00 0.00 0.00 179.25 178.58 2gaq n GLN 68 N -3.20 1.29 -0.07 0.00 -0.06 0.12 -4.70 117.38 110.76 2gaq n GLN 68 Ca -0.01 0.03 0.26 0.00 -2.00 0.00 0.00 57.00 55.28 2gaq n GLN 68 Cb 0.25 -1.22 0.70 0.00 -4.06 0.00 0.00 30.24 25.91 2gaq n GLN 68 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 2gaq h GLU 69 N 0.00 0.00 -2.57 3.69 4.11 -0.44 -2.72 114.58 116.65 2gaq h GLU 69 Ca -0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.16 2gaq h GLU 69 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2gaq h GLU 69 CO -0.02 0.00 0.23 0.91 0.07 0.00 0.00 179.01 180.20 2gaq n TRP 70 N -3.82 0.00 -0.05 2.06 5.03 -1.18 -4.25 117.44 115.23 2gaq n TRP 70 Ca 0.15 -0.27 -0.14 0.00 3.03 0.00 0.00 57.50 60.27 2gaq n TRP 70 Cb 0.93 -0.54 -0.12 0.00 -1.03 0.00 0.00 31.31 30.54 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 -0.87 0.00 0.00 0.00 1.12 -1.91 0.55 114.38 113.28 2gaq h ARG 72 Ca -0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.72 2gaq h ARG 72 Cb 0.90 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.84 2gaq h ARG 72 CO 0.00 0.01 -0.85 -0.22 -3.11 0.00 0.00 179.97 175.81 2gaq h LYS 73 N 0.00 0.00 0.00 0.20 3.11 -1.87 -1.81 116.57 116.20 2gaq h LYS 73 Ca -0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2gaq h LYS 73 Cb 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2gaq h LYS 73 CO 0.00 0.90 -0.01 -0.92 -2.81 0.00 0.00 179.45 176.62 2gaq h TYR 74 N -1.00 0.00 0.01 1.91 3.20 0.47 0.38 116.97 121.93 2gaq h TYR 74 Ca -0.23 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.54 2gaq h TYR 74 Cb 1.13 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 2gaq h TYR 74 CO 0.12 0.01 -0.57 0.52 -1.64 0.00 0.00 178.16 176.60 2gaq h MET 75 N 0.00 0.02 0.05 1.82 2.86 -0.02 -2.94 114.93 116.71 2gaq h MET 75 Ca -0.00 -0.03 -0.33 0.00 -2.06 0.00 0.00 59.70 57.28 2gaq h MET 75 Cb 0.02 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2gaq h MET 75 CO 0.00 1.01 -1.83 1.17 1.06 0.00 0.00 176.91 178.32 2gaq n LYS 76 N -4.50 0.65 0.05 1.72 4.81 -0.68 -4.26 118.16 115.95 2gaq n LYS 76 Ca -0.19 0.38 -0.17 0.00 -0.87 0.00 0.00 58.31 57.46 2gaq n LYS 76 Cb 0.58 -1.68 -0.07 0.00 0.02 0.00 0.00 35.03 33.89 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 -0.50 0.74 -4.29 3.14 0.87 -0.47 -3.47 113.55 109.56 2gaq h SER 77 Ca -0.45 -0.57 -0.21 0.00 -1.23 0.00 0.00 61.79 59.33 2gaq h SER 77 Cb 1.68 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.40 2gaq h SER 77 CO -0.12 1.37 -0.28 0.61 -0.53 0.00 0.00 176.83 177.88 2gaq n GLY 78 N 0.96 -0.50 3.64 5.77 0.00 -0.15 -4.89 105.19 110.02 2gaq n GLY 78 Ca -0.08 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.11 5.24 0.26 1.61 0.01 -1.26 -4.96 114.94 113.72 2gaq s ASN 79 Ca 0.05 0.08 0.14 0.00 -0.71 0.00 0.00 52.86 52.42 2gaq s ASN 79 Cb -0.03 -1.65 0.74 0.00 0.41 0.00 0.00 41.25 40.72 2gaq s ASN 79 CO 0.06 0.30 1.35 0.52 -1.51 0.00 0.00 177.10 177.82 2gaq n VAL 80 N 2.70 0.96 0.00 1.60 0.31 -1.26 -1.34 118.33 121.31 2gaq n VAL 80 Ca -0.18 0.69 0.23 0.00 -0.01 0.00 0.00 64.34 65.07 2gaq n VAL 80 Cb 0.53 -1.69 0.72 0.00 -0.91 0.00 0.00 33.84 32.49 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 0.18 5.55 1.79 -1.97 0.91 116.57 123.02 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 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2gaq h LYS 81 CO 0.00 0.00 -1.69 -0.44 -1.08 0.00 0.00 179.45 176.24 2gaq h ASP 82 N 0.00 0.58 -0.08 0.86 5.19 -1.63 -3.29 116.42 118.05 2gaq h ASP 82 Ca 0.27 -0.84 -0.08 0.00 -0.62 0.00 0.00 57.03 55.77 2gaq h ASP 82 Cb 1.37 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2gaq h ASP 82 CO -0.00 1.70 -0.27 -0.07 -3.12 0.00 0.00 179.24 177.48 2gaq h LEU 83 N 0.10 0.38 -0.92 1.55 -0.00 -0.65 0.13 115.31 115.89 2gaq h LEU 83 Ca -0.32 -0.62 0.17 0.00 -0.00 0.00 0.00 57.88 57.12 2gaq h LEU 83 Cb 2.09 -0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 42.53 2gaq h LEU 83 CO 0.18 0.93 0.50 0.00 -0.00 0.00 0.00 178.44 180.05 2gaq h THR 84 N -0.15 0.69 0.03 0.22 1.03 0.46 0.58 112.91 115.76 2gaq h THR 84 Ca -0.01 -0.23 -0.26 0.00 -0.01 0.00 0.00 66.41 65.91 2gaq h THR 84 Cb 0.90 -0.02 0.02 0.00 -1.07 0.00 0.00 68.15 67.98 2gaq h THR 84 CO 0.06 0.12 -1.03 1.56 -0.01 0.00 0.00 175.52 176.22 2gaq h GLN 85 N 0.66 0.64 0.00 0.00 4.20 -1.62 -2.93 115.11 116.07 2gaq h GLN 85 Ca 0.52 -0.73 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 2gaq h GLN 85 Cb 0.80 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 2gaq h GLN 85 CO -0.39 1.31 -0.02 0.00 -0.67 0.00 0.00 178.83 179.07 2gaq h ALA 86 N 0.35 1.12 -0.22 3.87 0.00 0.42 -0.96 119.26 123.85 2gaq h ALA 86 Ca -0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2gaq h ALA 86 Cb 1.70 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2gaq h ALA 86 CO 0.20 0.02 -0.15 2.35 0.00 0.00 0.00 179.25 181.67 2gaq h TRP 87 N 0.00 0.58 -0.29 0.00 2.91 0.31 0.70 115.95 120.16 2gaq h TRP 87 Ca -0.00 -0.16 -0.13 0.00 1.13 0.00 0.00 58.89 59.73 2gaq h TRP 87 Cb 0.12 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 28.64 2gaq h TRP 87 CO 0.00 0.80 -0.34 0.22 -1.03 0.00 0.00 178.44 178.09 2gaq h ASP 88 N 0.19 0.79 -0.46 2.65 1.82 -1.32 0.28 116.42 120.37 2gaq h ASP 88 Ca 0.04 -0.49 -0.09 0.00 -0.39 0.00 0.00 57.03 56.10 2gaq h ASP 88 Cb 0.67 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 2gaq h ASP 88 CO 0.04 1.12 -0.07 -0.07 -1.61 0.00 0.00 179.24 178.65 2gaq h LEU 89 N 0.48 0.86 -0.52 2.28 3.38 -1.07 0.50 115.31 121.22 2gaq h LEU 89 Ca 0.04 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2gaq h LEU 89 Cb 0.92 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2gaq h LEU 89 CO 0.08 1.00 0.19 0.22 0.09 0.00 0.00 178.44 180.02 2gaq h TYR 90 N 0.70 0.82 -0.06 1.13 5.03 0.53 0.91 116.97 126.03 2gaq h TYR 90 Ca 0.12 -0.07 -0.10 0.00 2.58 0.00 0.00 58.73 61.26 2gaq h TYR 90 Cb 0.61 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.65 2gaq h TYR 90 CO 0.05 0.69 -0.34 -0.92 -1.32 0.00 0.00 178.16 176.32 2gaq h TYR 91 N 0.71 0.46 -0.86 -3.82 5.03 -0.12 0.65 116.97 119.02 2gaq h TYR 91 Ca 0.17 -0.20 0.04 0.00 2.58 0.00 0.00 58.73 61.31 2gaq h TYR 91 Cb 0.23 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.39 2gaq h TYR 91 CO 0.01 0.95 0.55 1.25 -1.32 0.00 0.00 178.16 179.60 2gaq h HIS 92 N -0.17 1.03 0.08 -3.82 2.76 0.11 -3.18 115.15 111.95 2gaq h HIS 92 Ca -0.02 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 2gaq h HIS 92 Cb 1.00 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2gaq h HIS 92 CO 0.13 0.58 -0.83 -0.24 -1.30 0.00 0.00 177.93 176.27 2gaq h VAL 93 N 1.06 1.37 0.00 5.26 3.04 -0.87 -3.41 116.25 122.70 2gaq h VAL 93 Ca 0.35 -2.40 0.00 0.00 -1.01 0.00 0.00 66.70 63.63 2gaq h VAL 93 Cb 0.03 2.98 0.00 0.00 -2.01 0.00 0.00 31.29 32.30 2gaq h VAL 93 CO -0.12 0.63 0.00 0.33 -1.01 0.00 0.00 177.57 177.40 2gaq n PHE 94 N -4.23 0.00 -0.08 3.17 7.35 0.23 0.58 117.46 124.48 2gaq n PHE 94 Ca -0.18 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.43 2gaq n PHE 94 Cb 0.74 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.41 2gaq n PHE 94 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2gaq n ARG 95 N 0.00 0.68 -0.32 -4.13 5.12 -1.26 -4.48 116.66 112.26 2gaq n ARG 95 Ca 0.00 0.04 0.27 0.00 -1.93 0.00 0.00 57.85 56.23 2gaq n ARG 95 Cb 0.00 -1.58 0.51 0.00 -1.16 0.00 0.00 32.46 30.23 2gaq n ARG 95 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gaq n ARG 96 N -2.77 -0.06 -0.28 5.56 3.00 0.19 0.23 116.66 122.53 2gaq n ARG 96 Ca -0.27 1.39 0.24 0.00 -0.01 0.00 0.00 57.85 59.20 2gaq n ARG 96 Cb 1.09 -2.43 0.56 0.00 0.00 0.00 0.00 32.46 31.68 2gaq n ARG 96 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 2gaq h ILE 97 N 0.00 0.56 0.26 0.55 3.07 -1.35 -0.74 117.51 119.87 2gaq h ILE 97 Ca 0.78 -0.11 -0.01 0.00 1.55 0.00 0.00 64.86 67.07 2gaq h ILE 97 Cb 1.97 0.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.75 2gaq h ILE 97 CO -0.80 0.06 -0.13 0.77 -1.05 0.00 0.00 178.15 176.99 2gaq h SER 98 N 0.31 -0.30 -4.47 2.16 4.64 -0.50 -3.45 113.55 111.93 2gaq h SER 98 Ca 0.53 -0.23 -0.26 0.00 -0.47 0.00 0.00 61.79 61.36 2gaq h SER 98 Cb 1.52 0.08 0.11 0.00 -0.31 0.00 0.00 62.40 63.79 2gaq h SER 98 CO -0.19 0.17 -0.50 0.29 -0.87 0.00 0.00 176.83 175.72 2gaq n LYS 99 N -5.04 -5.22 0.00 4.77 4.76 -0.28 -5.16 118.16 111.98 2gaq n LYS 99 Ca -0.08 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 2gaq n LYS 99 Cb 0.26 -4.88 0.00 0.00 -1.84 0.00 0.00 35.03 28.57 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97