#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 -2.45 -0.06 -4.62 4.77 -1.26 -4.78 117.00 108.61 2gaq n LEU 2 Ca 0.00 -0.96 0.25 0.00 -0.03 0.00 0.00 56.01 55.27 2gaq n LEU 2 Cb 0.00 -2.12 0.69 0.00 -2.33 0.00 0.00 43.42 39.66 2gaq n LEU 2 CO 0.00 0.34 1.23 0.16 -1.33 0.00 0.00 177.39 177.79 2gaq h ILE 3 N -1.37 0.32 -0.74 -0.08 3.07 -2.01 -1.57 117.51 115.13 2gaq h ILE 3 Ca -0.59 0.00 -0.31 0.00 1.55 0.00 0.00 64.86 65.51 2gaq h ILE 3 Cb 1.34 0.47 -0.40 0.00 -0.27 0.00 0.00 36.82 37.97 2gaq h ILE 3 CO 0.44 0.00 -1.15 0.54 -1.05 0.00 0.00 178.15 176.93 2gaq n ARG 4 N -3.74 1.40 -2.48 0.16 1.74 -1.26 -4.98 116.66 107.51 2gaq n ARG 4 Ca 0.14 -3.33 -0.15 0.00 -0.77 0.00 0.00 57.85 53.75 2gaq n ARG 4 Cb 0.93 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.99 2gaq n ARG 4 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2gaq n VAL 5 N -0.31 -0.71 -3.39 1.55 3.14 -0.59 0.62 118.33 118.64 2gaq n VAL 5 Ca 0.08 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.21 2gaq n VAL 5 Cb 0.81 -2.04 0.02 0.00 -1.06 0.00 0.00 33.84 31.58 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 -2.25 -1.10 -1.98 1.55 0.00 -1.26 -4.91 120.51 110.55 2gaq n ALA 6 Ca -0.16 0.21 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 2gaq n ALA 6 Cb 0.62 -3.80 -0.01 0.00 0.00 0.00 0.00 19.45 16.26 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 -4.40 5.20 -0.47 0.00 0.00 0.20 -4.96 119.36 114.92 2gaq n ILE 7 Ca -0.03 -4.30 -0.28 0.00 0.00 0.00 0.00 62.75 58.14 2gaq n ILE 7 Cb 0.57 -2.05 0.27 0.00 0.00 0.00 0.00 39.64 38.42 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 -2.16 0.60 -0.01 9.51 1.43 -1.26 -4.96 118.68 121.83 2gaq s LEU 8 Ca 0.54 1.51 -0.08 0.00 -1.03 0.00 0.00 54.13 55.07 2gaq s LEU 8 Cb 0.19 -3.35 -0.30 0.00 0.03 0.00 0.00 46.19 42.76 2gaq s LEU 8 CO -0.10 -4.42 0.82 -0.50 0.23 0.00 0.00 176.35 172.38 2gaq h TRP 9 N -2.77 0.65 -1.18 0.29 6.55 -1.92 -3.30 115.95 114.26 2gaq h TRP 9 Ca -0.64 -0.47 0.34 0.00 0.95 0.00 0.00 58.89 59.07 2gaq h TRP 9 Cb 1.34 -0.03 -0.06 0.00 -0.86 0.00 0.00 29.16 29.55 2gaq h TRP 9 CO 0.24 1.52 0.82 1.25 -1.05 0.00 0.00 178.44 181.23 2gaq h HIS 10 N 0.10 0.18 0.30 0.49 -0.00 -1.91 0.32 115.15 114.62 2gaq h HIS 10 Ca -0.28 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.08 2gaq h HIS 10 Cb 2.07 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 29.44 2gaq h HIS 10 CO 0.09 0.00 -0.15 0.93 -0.00 0.00 0.00 177.93 178.81 2gaq h GLU 11 N 0.09 -0.39 0.00 5.26 4.39 -1.96 -1.97 114.58 120.01 2gaq h GLU 11 Ca 0.59 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.32 2gaq h GLU 11 Cb 2.14 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.88 2gaq h GLU 11 CO -0.09 -0.07 -0.01 0.00 -1.16 0.00 0.00 179.01 177.67 2gaq h MET 12 N -0.75 0.00 -0.18 2.33 -0.00 -1.16 -2.84 114.93 112.33 2gaq h MET 12 Ca -0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.51 2gaq h MET 12 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.09 2gaq h MET 12 CO 0.07 0.01 -0.51 -1.49 -0.00 0.00 0.00 176.91 174.99 2gaq h TRP 13 N 0.00 0.61 0.19 -0.10 6.55 0.05 0.71 115.95 123.96 2gaq h TRP 13 Ca -0.00 -0.20 0.01 0.00 0.95 0.00 0.00 58.89 59.65 2gaq h TRP 13 Cb 0.54 -0.12 -0.04 0.00 -0.86 0.00 0.00 29.16 28.68 2gaq h TRP 13 CO 0.00 0.90 -0.45 0.45 -1.05 0.00 0.00 178.44 178.29 2gaq h HIS 14 N 0.39 -1.25 0.09 0.49 3.86 -1.11 0.19 115.15 117.80 2gaq h HIS 14 Ca 0.02 0.03 -0.30 0.00 -1.16 0.00 0.00 60.37 58.95 2gaq h HIS 14 Cb 1.02 0.52 -0.02 0.00 1.06 0.00 0.00 27.41 30.00 2gaq h HIS 14 CO 0.04 -0.55 -1.59 0.93 0.86 0.00 0.00 177.93 177.61 2gaq h GLU 15 N -0.73 0.18 -0.23 2.45 4.39 -1.69 -2.87 114.58 116.08 2gaq h GLU 15 Ca 0.00 -0.31 0.06 0.00 0.34 0.00 0.00 59.36 59.46 2gaq h GLU 15 Cb 0.72 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2gaq h GLU 15 CO -0.21 0.99 0.17 0.78 -1.16 0.00 0.00 179.01 179.57 2gaq h GLY 16 N 2.09 0.03 1.69 -3.84 0.00 0.58 1.09 103.07 104.71 2gaq h GLY 16 Ca -0.26 -0.01 -0.25 0.00 0.00 0.00 0.00 47.33 46.81 2gaq h GLY 16 CO 0.13 0.01 -1.21 1.41 0.00 0.00 0.00 176.54 176.88 2gaq h LEU 17 N 0.03 0.19 0.09 3.11 3.38 -0.68 -2.91 115.31 118.51 2gaq h LEU 17 Ca 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2gaq h LEU 17 Cb 0.40 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2gaq h LEU 17 CO -0.00 1.17 -0.04 -0.08 0.09 0.00 0.00 178.44 179.58 2gaq h GLU 18 N 0.03 -0.11 -0.89 1.13 4.57 -0.71 0.53 114.58 119.13 2gaq h GLU 18 Ca -0.10 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2gaq h GLU 18 Cb 1.89 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 30.45 2gaq h GLU 18 CO 0.15 0.42 0.58 1.49 -1.18 0.00 0.00 179.01 180.47 2gaq h GLU 19 N -0.78 1.02 0.46 1.92 4.57 0.96 0.81 114.58 123.54 2gaq h GLU 19 Ca -0.01 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2gaq h GLU 19 Cb 0.58 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2gaq h GLU 19 CO 0.02 0.67 -0.22 0.00 -1.18 0.00 0.00 179.01 178.30 2gaq h ALA 20 N 1.50 -0.65 -0.58 2.92 0.00 -1.47 -2.07 119.26 118.91 2gaq h ALA 20 Ca 0.37 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.28 2gaq h ALA 20 Cb 0.12 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2gaq h ALA 20 CO -0.12 -0.60 0.41 0.66 0.00 0.00 0.00 179.25 179.59 2gaq h SER 21 N -1.10 0.15 1.21 0.00 4.64 0.62 0.14 113.55 119.19 2gaq h SER 21 Ca -0.06 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 2gaq h SER 21 Cb 0.47 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2gaq h SER 21 CO 0.10 0.08 -0.59 -0.09 -0.87 0.00 0.00 176.83 175.46 2gaq h ARG 22 N 0.16 0.00 0.00 4.77 2.43 0.56 0.87 114.38 123.17 2gaq h ARG 22 Ca 0.28 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2gaq h ARG 22 Cb 0.88 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2gaq h ARG 22 CO -0.04 0.59 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.80 2gaq h LEU 23 N 0.00 0.00 0.00 3.80 3.38 0.02 0.28 115.31 122.79 2gaq h LEU 23 Ca -0.01 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.54 2gaq h LEU 23 Cb 1.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 2gaq h LEU 23 CO 0.08 0.14 -2.42 0.00 0.09 0.00 0.00 178.44 176.33 2gaq n TYR 24 N -4.02 0.00 0.45 1.13 9.36 -0.80 -0.03 117.16 123.25 2gaq n TYR 24 Ca -0.02 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.27 2gaq n TYR 24 Cb 0.23 -0.91 0.30 0.00 -0.63 0.00 0.00 39.34 38.33 2gaq n TYR 24 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2gaq n PHE 25 N -4.06 0.07 0.00 2.98 -0.00 0.30 -0.18 117.46 116.57 2gaq n PHE 25 Ca -0.49 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 56.98 2gaq n PHE 25 Cb 0.86 -0.54 0.00 0.00 -0.00 0.00 0.00 39.48 39.80 2gaq n PHE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2gaq n GLY 26 N -0.12 0.00 0.22 7.13 0.00 0.06 -4.88 105.19 107.60 2gaq n GLY 26 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.56 0.09 -2.89 1.61 -0.58 -0.97 -4.99 120.64 110.34 2gaq n GLU 27 Ca 0.00 -0.92 -0.13 0.00 -0.42 0.00 0.00 57.16 55.69 2gaq n GLU 27 Cb 0.48 -1.10 -0.01 0.00 -0.57 0.00 0.00 31.44 30.24 2gaq n GLU 27 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2gaq n ARG 28 N 0.25 -2.67 -3.58 3.49 1.74 0.75 -4.83 116.66 111.81 2gaq n ARG 28 Ca 0.03 0.31 -0.33 0.00 -0.77 0.00 0.00 57.85 57.09 2gaq n ARG 28 Cb 0.15 -4.89 -0.07 0.00 -1.02 0.00 0.00 32.46 26.63 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 -1.88 4.09 0.29 0.55 2.85 0.96 -4.81 115.26 117.31 2gaq n ASN 29 Ca -0.03 -3.26 0.18 0.00 -0.11 0.00 0.00 54.58 51.36 2gaq n ASN 29 Cb 0.54 -0.92 0.98 0.00 1.24 0.00 0.00 39.78 41.61 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 3.84 0.30 -0.45 3.44 2.07 -1.89 -0.89 116.25 122.67 2gaq h VAL 30 Ca 0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 2gaq h VAL 30 Cb 0.74 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2gaq h VAL 30 CO 0.87 0.00 0.11 0.50 0.02 0.00 0.00 177.57 179.08 2gaq h LYS 31 N 0.00 0.72 -0.07 1.57 1.63 -1.94 -1.50 116.57 116.98 2gaq h LYS 31 Ca 0.02 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 2gaq h LYS 31 Cb 0.20 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2gaq h LYS 31 CO -0.00 0.71 -0.01 0.78 -3.45 0.00 0.00 179.45 177.48 2gaq h GLY 32 N 0.59 0.13 1.18 5.01 0.00 -1.54 -2.91 103.07 105.54 2gaq h GLY 32 Ca 0.14 -0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.45 2gaq h GLY 32 CO 0.00 0.10 0.36 0.00 0.00 0.00 0.00 176.54 177.00 2gaq h MET 33 N -0.19 0.39 0.00 4.80 -0.00 -1.38 0.10 114.93 118.65 2gaq h MET 33 Ca 0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2gaq h MET 33 Cb 0.38 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 31.89 2gaq h MET 33 CO 0.00 0.26 -0.01 0.35 -0.00 0.00 0.00 176.91 177.51 2gaq h PHE 34 N 0.40 0.00 0.18 -0.10 3.57 -1.07 0.16 116.94 120.09 2gaq h PHE 34 Ca 0.24 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.42 2gaq h PHE 34 Cb 0.43 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.18 2gaq h PHE 34 CO -0.00 0.01 -1.53 1.49 -2.23 0.00 0.00 178.31 176.05 2gaq h GLU 35 N 0.00 0.39 0.00 1.11 4.57 -0.77 0.17 114.58 120.05 2gaq h GLU 35 Ca -0.00 -0.66 -0.17 0.00 -1.18 0.00 0.00 59.36 57.35 2gaq h GLU 35 Cb 0.15 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2gaq h GLU 35 CO 0.00 1.29 -1.01 -0.24 -1.18 0.00 0.00 179.01 177.87 2gaq h VAL 36 N 0.11 0.98 0.00 0.32 3.04 -1.44 -3.34 116.25 115.91 2gaq h VAL 36 Ca -0.26 -2.52 0.00 0.00 -1.01 0.00 0.00 66.70 62.91 2gaq h VAL 36 Cb 2.08 2.43 0.00 0.00 -2.01 0.00 0.00 31.29 33.79 2gaq h VAL 36 CO 0.21 0.56 -0.83 -0.07 -1.01 0.00 0.00 177.57 176.43 2gaq h LEU 37 N 0.00 0.00 -0.02 3.16 -0.00 -0.82 -3.27 115.31 114.36 2gaq h LEU 37 Ca -0.08 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.83 2gaq h LEU 37 Cb 1.61 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.23 2gaq h LEU 37 CO 0.08 0.00 -0.24 -0.33 -0.00 0.00 0.00 178.44 177.95 2gaq h GLU 38 N 0.00 -0.35 -0.04 1.13 4.39 -1.07 0.16 114.58 118.80 2gaq h GLU 38 Ca 0.00 0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 2gaq h GLU 38 Cb 0.99 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2gaq h GLU 38 CO 0.00 -0.23 -0.51 -1.00 -1.16 0.00 0.00 179.01 176.11 2gaq h PRO 39 N -0.36 0.11 0.00 2.33 0.13 -1.73 -2.72 132.00 129.76 2gaq h PRO 39 Ca 0.07 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 2gaq h PRO 39 Cb 0.46 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 2gaq h PRO 39 CO -0.23 0.60 -0.08 -0.07 -0.23 0.00 0.00 178.00 177.99 2gaq h LEU 40 N 0.09 0.00 -0.02 1.56 3.38 -1.39 0.77 115.31 119.71 2gaq h LEU 40 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 2gaq h LEU 40 Cb 0.93 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.70 2gaq h LEU 40 CO 0.07 0.08 -0.79 -0.74 0.09 0.00 0.00 178.44 177.15 2gaq h HIS 41 N 0.00 0.83 0.19 1.13 2.76 -0.40 -3.13 115.15 116.54 2gaq h HIS 41 Ca -0.00 -0.44 -0.35 0.00 -2.20 0.00 0.00 60.37 57.38 2gaq h HIS 41 Cb 0.39 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 29.26 2gaq h HIS 41 CO 0.00 1.26 -1.70 0.00 -1.30 0.00 0.00 177.93 176.20 2gaq h ALA 42 N 0.38 0.11 0.00 5.26 0.00 -0.98 -3.20 119.26 120.84 2gaq h ALA 42 Ca -0.09 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2gaq h ALA 42 Cb 1.47 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2gaq h ALA 42 CO 0.16 0.98 0.00 -1.33 0.00 0.00 0.00 179.25 179.06 2gaq n MET 43 N -3.60 0.02 -0.01 0.00 2.00 0.26 -0.86 117.12 114.92 2gaq n MET 43 Ca -0.23 0.46 0.05 0.00 0.00 0.00 0.00 57.70 57.98 2gaq n MET 43 Cb 1.08 -1.57 -0.14 0.00 0.00 0.00 0.00 33.22 32.59 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 -1.62 0.66 -0.06 0.03 3.85 -1.18 -4.55 117.12 114.25 2gaq n MET 44 Ca 0.01 -0.08 -0.15 0.00 -1.00 0.00 0.00 57.70 56.48 2gaq n MET 44 Cb 0.05 -1.58 -0.14 0.00 -1.05 0.00 0.00 33.22 30.50 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 -2.49 0.69 -0.40 3.17 0.00 -0.22 -4.31 120.64 117.08 2gaq n GLU 45 Ca -0.11 0.19 0.35 0.00 0.00 0.00 0.00 57.16 57.59 2gaq n GLU 45 Cb 0.73 -1.64 0.63 0.00 0.00 0.00 0.00 31.44 31.16 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 0.02 0.04 0.00 5.31 2.43 -1.24 -3.45 114.38 117.50 2gaq h ARG 46 Ca -0.46 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2gaq h ARG 46 Cb 2.04 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 2gaq h ARG 46 CO 0.03 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 178.93 2gaq n GLY 47 N -1.41 4.38 0.28 2.80 0.00 -1.26 -4.93 105.19 105.05 2gaq n GLY 47 Ca 0.38 -1.20 0.16 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.00 0.00 1.61 0.13 -1.84 -3.47 132.00 128.43 2gaq h PRO 48 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2gaq h PRO 48 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2gaq h PRO 48 CO 0.00 0.07 0.00 0.94 -0.23 0.00 0.00 178.00 178.78 2gaq n GLN 49 N -3.42 0.00 0.00 0.86 7.27 -1.26 -4.05 117.38 116.78 2gaq n GLN 49 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 2gaq n GLN 49 Cb 0.21 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.86 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 -5.01 114.28 115.36 2gaq n THR 50 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2gaq n THR 50 Cb 0.00 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 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 0.00 -0.00 1.09 4.77 -1.26 -5.04 117.00 116.56 2gaq n LEU 51 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 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 -0.52 0.29 -1.33 0.00 0.00 177.39 175.83 2gaq n LYS 52 N 0.00 0.01 -1.90 3.23 4.76 -1.26 -4.81 118.16 118.19 2gaq n LYS 52 Ca 0.00 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 2gaq n LYS 52 Cb 0.00 -0.79 -0.01 0.00 -1.84 0.00 0.00 35.03 32.39 2gaq n LYS 52 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2gaq n GLU 53 N -2.74 4.25 -2.69 1.97 4.71 -1.26 -4.22 120.64 120.65 2gaq n GLU 53 Ca -0.01 -3.21 -0.05 0.00 -0.01 0.00 0.00 57.16 53.88 2gaq n GLU 53 Cb 0.51 -2.72 0.09 0.00 -1.01 0.00 0.00 31.44 28.31 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 2.39 0.00 -0.10 2.62 -1.04 -1.26 -4.47 114.28 112.42 2gaq n THR 54 Ca 0.62 -0.96 -0.20 0.00 -2.04 0.00 0.00 64.05 61.47 2gaq n THR 54 Cb 0.26 1.23 -0.12 0.00 -1.82 0.00 0.00 70.33 69.88 2gaq n THR 54 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2gaq h SER 55 N 2.77 0.00 -0.09 8.00 4.64 -1.95 -3.30 113.55 123.62 2gaq h SER 55 Ca -0.23 -0.63 -0.15 0.00 -0.47 0.00 0.00 61.79 60.32 2gaq h SER 55 Cb 1.17 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2gaq h SER 55 CO 0.03 1.38 -0.53 2.19 -0.87 0.00 0.00 176.83 179.03 2gaq h PHE 56 N -0.99 0.70 0.00 4.77 -0.00 -1.96 -3.07 116.94 116.38 2gaq h PHE 56 Ca -0.27 -0.32 -0.00 0.00 -0.00 0.00 0.00 57.97 57.38 2gaq h PHE 56 Cb 1.24 -0.11 -0.00 0.00 -0.00 0.00 0.00 35.95 37.08 2gaq h PHE 56 CO 0.14 1.10 -0.01 -0.97 -0.00 0.00 0.00 178.31 178.57 2gaq h ASN 57 N 0.10 0.00 0.49 -0.68 -1.24 -1.78 0.54 115.58 113.02 2gaq h ASN 57 Ca -0.04 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 2gaq h ASN 57 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 2gaq h ASN 57 CO 0.11 0.01 -0.23 -0.61 -1.29 0.00 0.00 177.43 175.42 2gaq h GLN 58 N 0.00 -0.63 0.00 6.67 -0.00 -1.61 -3.39 115.11 116.15 2gaq h GLN 58 Ca -0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.68 2gaq h GLN 58 Cb 0.12 0.14 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 2gaq h GLN 58 CO 0.00 -0.33 -1.03 0.00 0.00 0.00 0.00 178.83 177.48 2gaq n ALA 59 N -2.56 2.70 -0.23 3.38 0.00 -0.64 -4.71 120.51 118.45 2gaq n ALA 59 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2gaq n ALA 59 Cb 0.31 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.88 0.00 0.21 0.00 4.01 0.18 -4.38 117.16 114.30 2gaq n TYR 60 Ca -0.01 -0.79 0.03 0.00 -0.16 0.00 0.00 57.90 56.97 2gaq n TYR 60 Cb 0.51 -0.43 0.13 0.00 -0.31 0.00 0.00 39.34 39.24 2gaq n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gaq n GLY 61 N 1.42 -0.69 0.68 2.72 0.00 -0.72 -1.37 105.19 107.23 2gaq n GLY 61 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2gaq n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gaq n ARG 62 N -1.49 1.64 0.00 1.61 1.74 -1.26 -3.67 116.66 115.23 2gaq n ARG 62 Ca 0.02 -1.46 0.00 0.00 -0.77 0.00 0.00 57.85 55.64 2gaq n ARG 62 Cb 0.07 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2gaq n ARG 62 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2gaq n ASP 63 N 0.80 0.00 -0.30 0.55 9.92 -0.47 -4.41 116.55 122.64 2gaq n ASP 63 Ca 0.10 0.00 0.21 0.00 -0.53 0.00 0.00 54.79 54.57 2gaq n ASP 63 Cb 0.46 0.00 0.39 0.00 -0.64 0.00 0.00 41.12 41.33 2gaq n ASP 63 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2gaq n LEU 64 N 0.00 0.09 -0.25 0.64 7.94 -1.26 -0.14 117.00 124.02 2gaq n LEU 64 Ca 0.00 1.53 -0.07 0.00 -1.11 0.00 0.00 56.01 56.35 2gaq n LEU 64 Cb 0.00 -0.64 -0.03 0.00 0.53 0.00 0.00 43.42 43.28 2gaq n LEU 64 CO 0.00 -1.62 0.57 -0.03 -1.11 0.00 0.00 177.39 175.20 2gaq h MET 65 N 0.00 -0.16 0.00 1.96 4.05 -1.81 0.11 114.93 119.08 2gaq h MET 65 Ca 0.65 0.01 -0.23 0.00 -0.28 0.00 0.00 59.70 59.85 2gaq h MET 65 Cb 1.56 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 32.36 2gaq h MET 65 CO -0.78 -0.11 -1.21 0.93 0.23 0.00 0.00 176.91 175.97 2gaq h GLU 66 N -0.16 0.00 -0.12 0.39 5.08 -1.00 -1.25 114.58 117.52 2gaq h GLU 66 Ca 0.21 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2gaq h GLU 66 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2gaq h GLU 66 CO -0.76 0.84 0.15 0.00 -1.00 0.00 0.00 179.01 178.25 2gaq h ALA 67 N 1.00 1.65 0.00 3.43 0.00 0.56 -1.34 119.26 124.56 2gaq h ALA 67 Ca -0.09 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 2gaq h ALA 67 Cb 1.84 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 2gaq h ALA 67 CO 0.11 -0.21 -1.86 0.00 0.00 0.00 0.00 179.25 177.29 2gaq n GLN 68 N -3.69 1.31 0.17 0.00 10.64 0.27 -4.57 117.38 121.51 2gaq n GLN 68 Ca 0.00 0.04 0.19 0.00 -1.83 0.00 0.00 57.00 55.39 2gaq n GLN 68 Cb 0.26 -1.31 0.77 0.00 -0.86 0.00 0.00 30.24 29.10 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 -2.07 2.61 4.22 -0.17 -1.77 114.58 117.41 2gaq h GLU 69 Ca -0.34 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.03 2gaq h GLU 69 Cb 1.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.89 2gaq h GLU 69 CO -0.01 0.00 -0.11 0.91 -2.18 0.00 0.00 179.01 177.62 2gaq n TRP 70 N -3.50 0.00 -0.07 0.92 5.03 -0.65 -4.15 117.44 115.02 2gaq n TRP 70 Ca 0.04 -1.02 -0.10 0.00 3.03 0.00 0.00 57.50 59.45 2gaq n TRP 70 Cb 0.53 -0.87 -0.08 0.00 -1.03 0.00 0.00 31.31 29.86 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 -1.00 0.00 0.00 0.00 2.43 -1.88 0.46 114.38 114.40 2gaq h ARG 72 Ca -0.04 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 2gaq h ARG 72 Cb 0.71 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2gaq h ARG 72 CO -0.02 0.00 -0.88 0.87 -1.51 0.00 0.00 179.97 178.43 2gaq h LYS 73 N 0.00 0.01 0.00 0.20 1.79 -1.85 -3.24 116.57 113.48 2gaq h LYS 73 Ca 0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2gaq h LYS 73 Cb 0.18 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2gaq h LYS 73 CO -0.00 1.01 0.00 -0.92 -1.08 0.00 0.00 179.45 178.46 2gaq h TYR 74 N -0.97 0.00 0.06 -1.35 3.20 0.82 0.32 116.97 119.05 2gaq h TYR 74 Ca -0.24 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.52 2gaq h TYR 74 Cb 1.23 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.50 2gaq h TYR 74 CO 0.16 0.00 -0.51 0.52 -1.64 0.00 0.00 178.16 176.69 2gaq h MET 75 N 0.00 0.12 0.02 1.82 2.86 -0.30 -2.99 114.93 116.46 2gaq h MET 75 Ca 0.00 -0.20 -0.38 0.00 -2.06 0.00 0.00 59.70 57.06 2gaq h MET 75 Cb 0.34 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 2gaq h MET 75 CO 0.00 1.10 -2.13 1.63 1.06 0.00 0.00 176.91 178.56 2gaq n LYS 76 N -4.37 0.63 -0.08 1.72 5.02 -1.08 -4.38 118.16 115.62 2gaq n LYS 76 Ca -0.15 0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 56.33 2gaq n LYS 76 Cb 0.65 -1.60 -0.00 0.00 -0.02 0.00 0.00 35.03 34.06 2gaq n LYS 76 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2gaq h SER 77 N -0.57 0.90 -4.53 4.39 0.87 -0.61 -3.47 113.55 110.53 2gaq h SER 77 Ca -0.54 -0.44 -0.27 0.00 -1.23 0.00 0.00 61.79 59.31 2gaq h SER 77 Cb 1.69 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 2gaq h SER 77 CO -0.21 1.21 -0.37 0.61 -0.53 0.00 0.00 176.83 177.55 2gaq n GLY 78 N 0.19 -0.49 3.60 5.77 0.00 -1.01 -4.89 105.19 108.36 2gaq n GLY 78 Ca -0.03 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.27 6.05 0.20 1.61 -0.87 -1.26 -4.93 114.94 113.47 2gaq s ASN 79 Ca 0.14 0.03 0.09 0.00 -1.57 0.00 0.00 52.86 51.55 2gaq s ASN 79 Cb -0.07 -2.13 0.48 0.00 -0.02 0.00 0.00 41.25 39.51 2gaq s ASN 79 CO 0.17 -0.06 1.16 0.52 -2.57 0.00 0.00 177.10 176.32 2gaq n VAL 80 N 5.01 0.95 0.07 1.60 0.31 -1.26 -1.24 118.33 123.76 2gaq n VAL 80 Ca -0.13 0.65 0.19 0.00 -0.01 0.00 0.00 64.34 65.03 2gaq n VAL 80 Cb 0.52 -1.65 0.72 0.00 -0.91 0.00 0.00 33.84 32.53 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 0.22 5.55 1.79 -1.99 0.90 116.57 123.04 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 0.43 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.10 2gaq h LYS 81 CO 0.00 0.00 -1.53 -0.44 -1.08 0.00 0.00 179.45 176.40 2gaq h ASP 82 N 0.00 0.73 -0.11 0.86 3.32 -1.59 -3.33 116.42 116.30 2gaq h ASP 82 Ca 0.20 -0.85 -0.17 0.00 0.02 0.00 0.00 57.03 56.23 2gaq h ASP 82 Cb 0.88 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.20 2gaq h ASP 82 CO -0.00 1.68 -0.58 0.25 -1.72 0.00 0.00 179.24 178.87 2gaq h LEU 83 N 0.13 0.70 -1.58 1.55 7.12 -0.64 0.11 115.31 122.70 2gaq h LEU 83 Ca -0.27 -0.64 0.17 0.00 0.13 0.00 0.00 57.88 57.27 2gaq h LEU 83 Cb 2.13 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 42.00 2gaq h LEU 83 CO 0.24 1.23 0.54 0.00 -0.13 0.00 0.00 178.44 180.32 2gaq h THR 84 N 0.22 0.75 0.11 1.05 1.03 0.44 0.67 112.91 117.18 2gaq h THR 84 Ca -0.04 -0.13 -0.22 0.00 -0.01 0.00 0.00 66.41 66.00 2gaq h THR 84 Cb 1.22 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.63 2gaq h THR 84 CO 0.12 0.07 -1.10 1.56 -0.01 0.00 0.00 175.52 176.16 2gaq h GLN 85 N 0.39 0.24 -0.37 0.00 1.08 -1.63 -3.14 115.11 111.67 2gaq h GLN 85 Ca 0.40 -0.41 0.11 0.00 -1.45 0.00 0.00 58.65 57.30 2gaq h GLN 85 Cb 0.99 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2gaq h GLN 85 CO -0.13 1.20 0.32 0.00 -0.95 0.00 0.00 178.83 179.26 2gaq h ALA 86 N -0.02 2.19 -0.00 3.87 0.00 0.25 0.21 119.26 125.77 2gaq h ALA 86 Ca -0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2gaq h ALA 86 Cb 1.65 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2gaq h ALA 86 CO 0.08 -0.51 -0.00 2.35 0.00 0.00 0.00 179.25 181.16 2gaq h TRP 87 N 0.00 0.01 -0.25 0.00 -0.00 0.36 0.79 115.95 116.85 2gaq h TRP 87 Ca 0.18 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.97 2gaq h TRP 87 Cb 0.81 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.96 2gaq h TRP 87 CO 0.00 0.41 -0.24 0.22 -0.00 0.00 0.00 178.44 178.84 2gaq h ASP 88 N -0.40 0.48 -0.01 2.65 3.58 -1.27 0.24 116.42 121.68 2gaq h ASP 88 Ca 0.00 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 2gaq h ASP 88 Cb 0.41 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 2gaq h ASP 88 CO 0.00 0.72 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.99 2gaq h LEU 89 N 0.43 0.03 -0.92 2.28 3.38 -0.69 0.52 115.31 120.34 2gaq h LEU 89 Ca 0.06 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.51 2gaq h LEU 89 Cb 0.65 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 2gaq h LEU 89 CO 0.05 0.56 0.61 1.88 0.09 0.00 0.00 178.44 181.62 2gaq h TYR 90 N -0.49 1.15 -0.07 1.13 0.05 0.79 0.84 116.97 120.37 2gaq h TYR 90 Ca 0.00 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 2gaq h TYR 90 Cb 0.55 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2gaq h TYR 90 CO 0.11 0.72 -0.33 -0.92 -1.05 0.00 0.00 178.16 176.70 2gaq h TYR 91 N 1.24 0.46 -0.65 4.88 5.03 -0.47 0.48 116.97 127.94 2gaq h TYR 91 Ca 0.34 -0.20 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 2gaq h TYR 91 Cb -0.14 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.04 2gaq h TYR 91 CO -0.01 0.94 0.31 1.25 -1.32 0.00 0.00 178.16 179.33 2gaq h HIS 92 N -0.15 0.91 0.06 -3.82 2.76 0.20 -2.51 115.15 112.61 2gaq h HIS 92 Ca -0.02 -0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.84 2gaq h HIS 92 Cb 0.98 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 2gaq h HIS 92 CO 0.13 0.67 -1.39 -0.24 -1.30 0.00 0.00 177.93 175.80 2gaq h VAL 93 N 0.92 1.29 -1.21 5.26 3.04 -0.88 -3.32 116.25 121.35 2gaq h VAL 93 Ca 0.23 -2.98 0.44 0.00 -1.01 0.00 0.00 66.70 63.38 2gaq h VAL 93 Cb 0.10 2.74 -0.14 0.00 -2.01 0.00 0.00 31.29 31.98 2gaq h VAL 93 CO -0.03 0.81 0.75 0.33 -1.01 0.00 0.00 177.57 178.42 2gaq n PHE 94 N -3.36 0.80 0.02 3.17 -0.00 0.17 -0.02 117.46 118.24 2gaq n PHE 94 Ca -0.11 0.80 -0.17 0.00 -0.00 0.00 0.00 57.45 57.97 2gaq n PHE 94 Cb 1.01 -1.23 -0.14 0.00 -0.00 0.00 0.00 39.48 39.12 2gaq n PHE 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2gaq h ARG 95 N 0.00 0.21 0.31 -4.13 3.08 -1.70 -3.22 114.38 108.92 2gaq h ARG 95 Ca 0.83 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 60.51 2gaq h ARG 95 Cb 2.54 0.13 0.00 0.00 0.08 0.00 0.00 29.97 32.73 2gaq h ARG 95 CO -0.53 1.02 -0.15 0.00 -1.07 0.00 0.00 179.97 179.24 2gaq h ARG 96 N 0.06 -0.40 -0.00 0.04 -0.00 -0.53 -2.92 114.38 110.62 2gaq h ARG 96 Ca -0.34 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.17 2gaq h ARG 96 Cb 2.03 0.09 -0.00 0.00 0.00 0.00 0.00 29.97 32.09 2gaq h ARG 96 CO 0.11 -0.26 0.09 -0.84 0.00 0.00 0.00 179.97 179.07 2gaq h ILE 97 N -0.57 0.02 0.96 2.04 3.07 -0.73 0.17 117.51 122.47 2gaq h ILE 97 Ca -0.04 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.32 2gaq h ILE 97 Cb 0.32 0.91 0.01 0.00 -0.27 0.00 0.00 36.82 37.78 2gaq h ILE 97 CO 0.07 0.00 -0.48 -1.28 -1.05 0.00 0.00 178.15 175.41 2gaq h SER 98 N 0.00 -1.16 0.00 2.16 0.87 -1.54 -3.44 113.55 110.44 2gaq h SER 98 Ca 0.00 0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.47 2gaq h SER 98 Cb 0.18 0.31 -0.11 0.00 -0.44 0.00 0.00 62.40 62.34 2gaq h SER 98 CO -0.00 -0.80 -0.01 2.29 -0.53 0.00 0.00 176.83 177.77 2gaq n LYS 99 N -5.60 0.43 0.00 2.24 2.85 -0.89 -5.08 118.16 112.10 2gaq n LYS 99 Ca -0.16 -1.03 0.00 0.00 -1.05 0.00 0.00 58.31 56.07 2gaq n LYS 99 Cb 0.52 -0.21 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29