#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 -2.02 -0.10 -4.62 -0.00 -1.26 -4.88 117.00 104.12 2gaq n LEU 2 Ca 0.00 -0.95 -0.12 0.00 -0.00 0.00 0.00 56.01 54.94 2gaq n LEU 2 Cb 0.00 -1.68 -0.01 0.00 -0.00 0.00 0.00 43.42 41.73 2gaq n LEU 2 CO 0.00 0.35 0.54 0.16 -0.00 0.00 0.00 177.39 178.44 2gaq h ILE 3 N -0.29 1.28 0.00 1.47 3.07 -2.02 -3.43 117.51 117.58 2gaq h ILE 3 Ca -0.62 -1.58 0.00 0.00 1.55 0.00 0.00 64.86 64.21 2gaq h ILE 3 Cb 1.39 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.36 2gaq h ILE 3 CO 0.37 0.52 0.00 -2.11 -1.05 0.00 0.00 178.15 175.88 2gaq n ARG 4 N -4.05 0.00 0.24 0.16 1.85 -1.26 -4.92 116.66 108.68 2gaq n ARG 4 Ca -0.02 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.93 2gaq n ARG 4 Cb 0.55 0.00 0.61 0.00 -1.05 0.00 0.00 32.46 32.57 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 0.70 -3.16 8.89 3.04 -2.00 -3.47 116.25 120.24 2gaq h VAL 5 Ca 0.00 -0.76 -0.25 0.00 -1.01 0.00 0.00 66.70 64.69 2gaq h VAL 5 Cb 0.00 1.47 0.05 0.00 -2.01 0.00 0.00 31.29 30.80 2gaq h VAL 5 CO 0.00 0.18 -0.38 0.00 -1.01 0.00 0.00 177.57 176.36 2gaq n ALA 6 N -2.31 -0.64 -3.45 3.17 0.00 -1.26 -4.05 120.51 111.96 2gaq n ALA 6 Ca -0.01 0.20 -0.26 0.00 0.00 0.00 0.00 53.44 53.36 2gaq n ALA 6 Cb 0.30 -2.82 0.01 0.00 0.00 0.00 0.00 19.45 16.94 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 -4.02 -2.96 -1.32 0.00 0.00 -1.26 -4.80 119.36 105.00 2gaq n ILE 7 Ca -0.05 0.02 -0.36 0.00 0.00 0.00 0.00 62.75 62.35 2gaq n ILE 7 Cb 0.56 -2.67 0.07 0.00 0.00 0.00 0.00 39.64 37.61 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 -1.53 1.49 0.06 9.51 7.99 -1.26 -4.95 117.00 128.32 2gaq n LEU 8 Ca -0.21 0.63 -0.20 0.00 -0.01 0.00 0.00 56.01 56.23 2gaq n LEU 8 Cb 0.60 -1.26 -0.14 0.00 -0.11 0.00 0.00 43.42 42.51 2gaq n LEU 8 CO 0.52 -2.83 0.05 -0.50 -1.51 0.00 0.00 177.39 173.12 2gaq h TRP 9 N -0.23 0.64 -0.91 -1.77 6.55 -1.92 -3.17 115.95 115.15 2gaq h TRP 9 Ca -0.46 -0.44 0.22 0.00 0.95 0.00 0.00 58.89 59.16 2gaq h TRP 9 Cb 1.35 -0.04 -0.06 0.00 -0.86 0.00 0.00 29.16 29.56 2gaq h TRP 9 CO 0.35 1.32 0.61 1.25 -1.05 0.00 0.00 178.44 180.93 2gaq h HIS 10 N -0.22 0.39 -0.26 0.49 -0.00 -1.94 0.11 115.15 113.72 2gaq h HIS 10 Ca -0.15 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.23 2gaq h HIS 10 Cb 1.66 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.94 2gaq h HIS 10 CO 0.17 0.09 0.13 0.93 -0.00 0.00 0.00 177.93 179.25 2gaq h GLU 11 N 0.28 0.38 0.00 5.26 4.39 -1.90 -1.66 114.58 121.33 2gaq h GLU 11 Ca 0.46 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.09 2gaq h GLU 11 Cb 1.35 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2gaq h GLU 11 CO -0.14 0.37 -0.10 0.00 -1.16 0.00 0.00 179.01 177.98 2gaq h MET 12 N 0.29 0.00 0.00 2.33 -0.00 -0.87 -2.89 114.93 113.79 2gaq h MET 12 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.79 2gaq h MET 12 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.72 2gaq h MET 12 CO -0.01 0.10 0.00 -1.49 -0.00 0.00 0.00 176.91 175.51 2gaq h TRP 13 N 0.00 0.00 0.77 -0.10 -0.00 -0.03 0.86 115.95 117.45 2gaq h TRP 13 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.85 2gaq h TRP 13 Cb 0.77 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.94 2gaq h TRP 13 CO 0.00 0.00 -0.37 0.45 -0.00 0.00 0.00 178.44 178.52 2gaq h HIS 14 N 0.00 -0.95 0.03 0.49 3.86 -1.41 -2.99 115.15 114.17 2gaq h HIS 14 Ca 0.00 -0.02 -0.36 0.00 -1.16 0.00 0.00 60.37 58.83 2gaq h HIS 14 Cb 0.17 0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 2gaq h HIS 14 CO 0.00 -0.59 -2.18 0.39 0.86 0.00 0.00 177.93 176.41 2gaq n GLU 15 N -5.16 0.68 -0.27 2.45 1.02 -1.02 -2.20 120.64 116.14 2gaq n GLU 15 Ca -0.13 0.16 0.14 0.00 -0.02 0.00 0.00 57.16 57.31 2gaq n GLU 15 Cb 0.41 -1.62 0.41 0.00 -0.02 0.00 0.00 31.44 30.61 2gaq n GLU 15 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2gaq h GLY 16 N 2.75 1.17 1.35 0.62 0.00 0.56 0.82 103.07 110.33 2gaq h GLY 16 Ca -0.47 -0.27 -0.28 0.00 0.00 0.00 0.00 47.33 46.30 2gaq h GLY 16 CO 0.02 0.05 -1.45 1.41 0.00 0.00 0.00 176.54 176.57 2gaq h LEU 17 N 0.62 0.26 -0.27 3.11 3.38 -1.65 -3.32 115.31 117.44 2gaq h LEU 17 Ca 0.47 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2gaq h LEU 17 Cb 0.86 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2gaq h LEU 17 CO -0.21 1.30 -0.11 -0.08 0.09 0.00 0.00 178.44 179.42 2gaq h GLU 18 N 0.05 0.54 0.00 1.13 4.81 -0.60 0.76 114.58 121.26 2gaq h GLU 18 Ca -0.20 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2gaq h GLU 18 Cb 1.97 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.33 2gaq h GLU 18 CO 0.14 0.78 0.00 -1.91 -0.73 0.00 0.00 179.01 177.30 2gaq n GLU 19 N -4.48 0.06 -0.04 1.92 4.07 0.27 -0.70 120.64 121.74 2gaq n GLU 19 Ca -0.04 0.29 -0.08 0.00 -0.06 0.00 0.00 57.16 57.27 2gaq n GLU 19 Cb 0.34 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.19 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 -1.40 1.97 0.22 4.31 0.00 -0.94 -4.36 120.51 120.31 2gaq n ALA 20 Ca 0.03 -0.47 0.18 0.00 0.00 0.00 0.00 53.44 53.18 2gaq n ALA 20 Cb 0.08 0.20 0.84 0.00 0.00 0.00 0.00 19.45 20.56 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 -0.51 0.00 0.11 0.00 0.02 0.58 -0.42 113.55 113.32 2gaq h SER 21 Ca -0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2gaq h SER 21 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2gaq h SER 21 CO -0.07 0.00 -0.05 -0.09 -1.14 0.00 0.00 176.83 175.47 2gaq h ARG 22 N 0.00 -0.14 -0.53 3.45 2.43 -1.10 0.60 114.38 119.08 2gaq h ARG 22 Ca 0.09 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.42 2gaq h ARG 22 Cb 0.67 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2gaq h ARG 22 CO -0.00 0.32 0.68 -0.07 -1.51 0.00 0.00 179.97 179.39 2gaq h LEU 23 N -0.68 0.00 0.02 3.80 -0.00 -1.27 -0.60 115.31 116.57 2gaq h LEU 23 Ca -0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.49 2gaq h LEU 23 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.12 2gaq h LEU 23 CO 0.02 0.00 -2.34 0.00 -0.00 0.00 0.00 178.44 176.13 2gaq n TYR 24 N -3.44 0.24 -0.27 1.13 9.36 -1.12 -0.30 117.16 122.77 2gaq n TYR 24 Ca 0.11 0.06 0.02 0.00 3.32 0.00 0.00 57.90 61.41 2gaq n TYR 24 Cb 0.88 -1.03 0.10 0.00 -0.63 0.00 0.00 39.34 38.65 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 0.01 -0.38 0.00 2.98 3.57 0.18 -3.36 116.94 119.94 2gaq h PHE 25 Ca -0.53 0.07 -0.12 0.00 3.53 0.00 0.00 57.97 60.92 2gaq h PHE 25 Cb 2.03 0.29 -0.12 0.00 2.79 0.00 0.00 35.95 40.93 2gaq h PHE 25 CO 0.03 -0.33 -0.26 0.41 -2.23 0.00 0.00 178.31 175.93 2gaq n GLY 26 N -1.50 0.61 0.03 2.40 0.00 -0.98 -4.95 105.19 100.81 2gaq n GLY 26 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.23 4.74 -3.20 1.61 4.71 -1.18 -5.01 120.64 122.10 2gaq n GLU 27 Ca -0.24 -0.11 -0.17 0.00 -0.01 0.00 0.00 57.16 56.64 2gaq n GLU 27 Cb 0.68 -0.76 -0.02 0.00 -1.01 0.00 0.00 31.44 30.33 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 -0.91 -2.40 -3.28 3.49 3.00 -0.74 -4.85 116.66 110.97 2gaq n ARG 28 Ca 0.01 0.17 -0.26 0.00 -0.01 0.00 0.00 57.85 57.76 2gaq n ARG 28 Cb 0.08 -4.74 -0.07 0.00 0.00 0.00 0.00 32.46 27.73 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 -1.92 3.11 0.24 0.55 5.15 0.59 -4.86 115.26 118.11 2gaq n ASN 29 Ca 0.02 -3.34 0.12 0.00 -0.60 0.00 0.00 54.58 50.78 2gaq n ASN 29 Cb 0.50 -0.64 0.73 0.00 -0.53 0.00 0.00 39.78 39.84 2gaq n ASN 29 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2gaq h VAL 30 N 2.80 0.81 -0.44 3.44 2.07 -1.89 0.61 116.25 123.66 2gaq h VAL 30 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 2gaq h VAL 30 Cb 0.69 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2gaq h VAL 30 CO 0.75 0.00 0.25 0.50 0.02 0.00 0.00 177.57 179.09 2gaq h LYS 31 N 0.00 0.60 0.10 1.57 3.11 -1.93 -1.42 116.57 118.60 2gaq h LYS 31 Ca 0.03 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2gaq h LYS 31 Cb 0.15 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 2gaq h LYS 31 CO -0.00 0.43 -0.05 0.78 -2.81 0.00 0.00 179.45 177.80 2gaq h GLY 32 N 0.67 -0.14 0.64 5.01 0.00 -1.26 -3.22 103.07 104.77 2gaq h GLY 32 Ca 0.16 0.05 0.16 0.00 0.00 0.00 0.00 47.33 47.70 2gaq h GLY 32 CO -0.03 -0.05 0.51 0.00 0.00 0.00 0.00 176.54 176.97 2gaq h MET 33 N -0.73 0.34 0.00 4.80 -0.00 -1.26 0.67 114.93 118.76 2gaq h MET 33 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2gaq h MET 33 Cb 0.55 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.08 2gaq h MET 33 CO 0.02 0.23 0.00 0.34 -0.00 0.00 0.00 176.91 177.50 2gaq n PHE 34 N -4.46 0.75 -0.01 -0.10 7.35 -0.55 -0.71 117.46 119.73 2gaq n PHE 34 Ca 0.15 0.33 -0.20 0.00 -0.76 0.00 0.00 57.45 56.96 2gaq n PHE 34 Cb 0.58 -1.03 -0.14 0.00 0.35 0.00 0.00 39.48 39.24 2gaq n PHE 34 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2gaq n GLU 35 N -2.22 0.74 0.08 -4.13 2.13 0.22 -1.55 120.64 115.92 2gaq n GLU 35 Ca 0.01 0.25 -0.04 0.00 0.66 0.00 0.00 57.16 58.03 2gaq n GLU 35 Cb 0.15 -1.69 -0.08 0.00 0.27 0.00 0.00 31.44 30.09 2gaq n GLU 35 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2gaq h VAL 36 N 0.06 1.48 0.00 6.31 3.04 -1.50 -3.15 116.25 122.49 2gaq h VAL 36 Ca -0.44 -3.09 0.00 0.00 -1.01 0.00 0.00 66.70 62.16 2gaq h VAL 36 Cb 2.02 2.73 0.00 0.00 -2.01 0.00 0.00 31.29 34.03 2gaq h VAL 36 CO 0.07 0.84 -0.18 -0.07 -1.01 0.00 0.00 177.57 177.22 2gaq h LEU 37 N 0.00 0.00 -0.38 3.16 -0.00 -1.07 -3.33 115.31 113.69 2gaq h LEU 37 Ca -0.01 -0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.93 2gaq h LEU 37 Cb 1.66 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 42.25 2gaq h LEU 37 CO 0.11 0.01 -0.12 -0.08 -0.00 0.00 0.00 178.44 178.36 2gaq h GLU 38 N 0.00 -0.04 0.00 1.13 4.22 -1.23 0.27 114.58 118.93 2gaq h GLU 38 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 2gaq h GLU 38 Cb 0.92 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2gaq h GLU 38 CO 0.00 -0.02 -0.48 -1.00 -2.18 0.00 0.00 179.01 175.33 2gaq h PRO 39 N -0.04 0.00 0.00 0.92 0.13 -1.73 -2.94 132.00 128.35 2gaq h PRO 39 Ca 0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 2gaq h PRO 39 Cb 0.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 2gaq h PRO 39 CO -0.41 0.48 -0.10 -0.07 -0.23 0.00 0.00 178.00 177.66 2gaq h LEU 40 N 0.00 0.00 -0.21 1.56 3.38 -0.72 0.78 115.31 120.10 2gaq h LEU 40 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2gaq h LEU 40 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2gaq h LEU 40 CO 0.06 0.10 -0.92 0.45 0.09 0.00 0.00 178.44 178.22 2gaq h HIS 41 N 0.00 0.48 0.14 1.13 3.86 -0.58 -2.73 115.15 117.45 2gaq h HIS 41 Ca -0.00 -0.26 -0.34 0.00 -1.16 0.00 0.00 60.37 58.61 2gaq h HIS 41 Cb 0.54 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 2gaq h HIS 41 CO 0.00 1.08 -1.74 0.00 0.86 0.00 0.00 177.93 178.14 2gaq h ALA 42 N 0.83 0.29 0.00 2.45 0.00 -1.22 -2.83 119.26 118.77 2gaq h ALA 42 Ca -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.64 2gaq h ALA 42 Cb 1.56 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2gaq h ALA 42 CO 0.15 1.16 0.00 -1.33 0.00 0.00 0.00 179.25 179.23 2gaq n MET 43 N -3.49 0.05 0.00 0.00 2.00 0.26 -0.26 117.12 115.68 2gaq n MET 43 Ca -0.23 0.27 0.02 0.00 0.00 0.00 0.00 57.70 57.76 2gaq n MET 43 Cb 1.06 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.79 2gaq n MET 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 2gaq n MET 44 N -1.44 0.86 -0.06 0.03 0.00 -1.03 -4.79 117.12 110.70 2gaq n MET 44 Ca 0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 57.70 57.04 2gaq n MET 44 Cb 0.12 -1.01 -0.06 0.00 0.00 0.00 0.00 33.22 32.28 2gaq n MET 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2gaq n GLU 45 N -0.02 0.67 -0.13 2.12 4.07 -0.32 -4.53 120.64 122.49 2gaq n GLU 45 Ca 0.02 0.05 0.26 0.00 -0.06 0.00 0.00 57.16 57.44 2gaq n GLU 45 Cb 0.10 -1.23 0.70 0.00 -0.06 0.00 0.00 31.44 30.96 2gaq n GLU 45 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2gaq h ARG 46 N 0.00 0.02 0.00 5.31 1.12 -0.90 -3.47 114.38 116.46 2gaq h ARG 46 Ca -0.26 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.61 2gaq h ARG 46 Cb 1.43 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.38 2gaq h ARG 46 CO -0.03 0.01 0.00 0.41 -3.11 0.00 0.00 179.97 177.25 2gaq n GLY 47 N -1.69 1.70 3.76 2.80 0.00 -1.26 -4.99 105.19 105.51 2gaq n GLY 47 Ca 0.16 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.09 3.59 -0.25 1.61 0.04 -1.26 -4.98 135.00 130.66 2gaq s PRO 48 Ca 0.00 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 2gaq s PRO 48 Cb 0.00 -2.43 -0.15 0.00 0.04 0.00 0.00 34.50 31.95 2gaq s PRO 48 CO 0.00 -0.76 -0.19 0.00 0.04 0.00 0.00 177.00 176.09 2gaq n GLN 49 N -0.54 0.61 0.00 4.56 10.64 -1.26 -4.95 117.38 126.45 2gaq n GLN 49 Ca 0.08 0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.53 2gaq n GLN 49 Cb 0.46 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 28.29 2gaq n GLN 49 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2gaq n THR 50 N -3.98 0.00 -2.28 -0.39 5.66 -1.26 -5.06 114.28 106.96 2gaq n THR 50 Ca -0.48 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.52 2gaq n THR 50 Cb 0.90 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.69 2gaq n THR 50 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2gaq n LEU 51 N 0.00 -0.28 -0.01 1.09 7.94 -1.26 -5.01 117.00 119.47 2gaq n LEU 51 Ca 0.00 -1.18 -0.02 0.00 -1.11 0.00 0.00 56.01 53.70 2gaq n LEU 51 Cb 0.00 0.59 -0.01 0.00 0.53 0.00 0.00 43.42 44.53 2gaq n LEU 51 CO 0.00 1.03 -0.59 0.29 -1.11 0.00 0.00 177.39 177.01 2gaq n LYS 52 N -0.24 0.07 -1.06 1.96 5.02 -1.26 -4.83 118.16 117.83 2gaq n LYS 52 Ca -0.04 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2gaq n LYS 52 Cb 0.52 -0.91 -0.05 0.00 -0.02 0.00 0.00 35.03 34.57 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 -2.76 2.86 -2.59 1.97 0.28 -1.26 -3.90 120.64 115.24 2gaq n GLU 53 Ca -0.05 -1.73 -0.02 0.00 -0.16 0.00 0.00 57.16 55.20 2gaq n GLU 53 Cb 0.55 -2.53 0.12 0.00 1.43 0.00 0.00 31.44 31.00 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2gaq n THR 54 N 3.58 0.00 -0.01 3.84 -1.04 -1.26 -4.65 114.28 114.73 2gaq n THR 54 Ca 0.61 -0.95 0.05 0.00 -2.04 0.00 0.00 64.05 61.72 2gaq n THR 54 Cb 0.30 0.97 -0.10 0.00 -1.82 0.00 0.00 70.33 69.69 2gaq n THR 54 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2gaq n SER 55 N -1.48 2.06 -0.03 8.00 2.88 -1.25 -4.11 113.62 119.70 2gaq n SER 55 Ca -0.18 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.40 2gaq n SER 55 Cb 0.87 1.49 -0.15 0.00 -0.75 0.00 0.00 64.21 65.67 2gaq n SER 55 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2gaq n PHE 56 N -2.01 0.00 0.05 0.66 -1.74 -1.26 -3.54 117.46 109.62 2gaq n PHE 56 Ca -0.04 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.75 2gaq n PHE 56 Cb 0.40 -0.55 -0.13 0.00 1.52 0.00 0.00 39.48 40.72 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 0.09 0.19 5.98 -1.24 -1.80 -0.48 115.58 118.32 2gaq h ASN 57 Ca -0.13 -0.11 -0.31 0.00 0.71 0.00 0.00 56.30 56.46 2gaq h ASN 57 Cb 1.20 -0.03 0.03 0.00 0.73 0.00 0.00 38.32 40.25 2gaq h ASN 57 CO 0.01 1.09 -1.32 1.56 -1.29 0.00 0.00 177.43 177.48 2gaq h GLN 58 N 0.02 0.59 0.05 6.67 1.08 -1.75 -1.51 115.11 120.26 2gaq h GLN 58 Ca -0.09 -0.85 -0.26 0.00 -1.45 0.00 0.00 58.65 55.99 2gaq h GLN 58 Cb 1.86 0.29 0.01 0.00 -0.05 0.00 0.00 27.48 29.60 2gaq h GLN 58 CO 0.13 1.39 -1.09 0.00 -0.95 0.00 0.00 178.83 178.32 2gaq h ALA 59 N 0.26 0.17 -2.08 3.87 0.00 -1.69 -3.39 119.26 116.40 2gaq h ALA 59 Ca -0.21 -0.75 -0.58 0.00 0.00 0.00 0.00 54.91 53.38 2gaq h ALA 59 Cb 2.00 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 19.42 2gaq h ALA 59 CO 0.25 0.77 -0.89 0.66 0.00 0.00 0.00 179.25 180.04 2gaq n TYR 60 N -3.76 1.36 0.24 0.00 4.01 -0.19 -4.91 117.16 113.91 2gaq n TYR 60 Ca -0.10 -3.82 0.08 0.00 -0.16 0.00 0.00 57.90 53.90 2gaq n TYR 60 Cb 0.91 -0.44 0.59 0.00 -0.31 0.00 0.00 39.34 40.09 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 4.07 0.00 -0.79 2.72 0.00 -1.43 -2.14 103.07 105.51 2gaq h GLY 61 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2gaq h GLY 61 CO 0.62 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.70 2gaq n ARG 62 N -4.19 1.79 0.00 4.80 1.74 -1.26 -4.22 116.66 115.32 2gaq n ARG 62 Ca -0.02 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 2gaq n ARG 62 Cb 0.21 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.40 0.00 -0.25 0.55 2.03 -0.80 -3.74 116.55 114.74 2gaq n ASP 63 Ca 0.18 0.00 0.24 0.00 0.52 0.00 0.00 54.79 55.73 2gaq n ASP 63 Cb 0.39 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.22 2gaq n ASP 63 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2gaq n LEU 64 N 0.00 0.23 -0.13 -2.67 7.94 -1.26 -0.44 117.00 120.67 2gaq n LEU 64 Ca 0.00 1.14 -0.11 0.00 -1.11 0.00 0.00 56.01 55.94 2gaq n LEU 64 Cb 0.00 -0.56 -0.06 0.00 0.53 0.00 0.00 43.42 43.33 2gaq n LEU 64 CO 0.00 -1.28 0.56 -0.03 -1.11 0.00 0.00 177.39 175.53 2gaq h MET 65 N 0.00 -0.34 0.05 1.96 4.05 -1.83 0.50 114.93 119.32 2gaq h MET 65 Ca 0.61 0.02 -0.25 0.00 -0.28 0.00 0.00 59.70 59.81 2gaq h MET 65 Cb 1.70 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.56 2gaq h MET 65 CO -0.50 -0.23 -1.21 1.49 0.23 0.00 0.00 176.91 176.69 2gaq h GLU 66 N -0.35 0.11 0.00 0.39 4.57 -0.90 -0.59 114.58 117.81 2gaq h GLU 66 Ca 0.12 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2gaq h GLU 66 Cb 0.59 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2gaq h GLU 66 CO -0.58 1.03 0.00 0.00 -1.18 0.00 0.00 179.01 178.29 2gaq n ALA 67 N -2.47 1.18 -0.02 2.92 0.00 0.42 -1.32 120.51 121.22 2gaq n ALA 67 Ca -0.06 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 2gaq n ALA 67 Cb 0.99 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 2gaq n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gaq n GLN 68 N -1.76 2.63 0.18 0.00 10.64 0.17 -4.72 117.38 124.51 2gaq n GLN 68 Ca 0.00 0.01 0.13 0.00 -1.83 0.00 0.00 57.00 55.31 2gaq n GLN 68 Cb 0.06 -1.12 0.59 0.00 -0.86 0.00 0.00 30.24 28.91 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 0.00 2.61 4.22 -0.48 -0.03 114.58 120.90 2gaq h GLU 69 Ca -0.13 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.31 2gaq h GLU 69 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2gaq h GLU 69 CO 0.00 0.00 0.00 -2.67 -2.18 0.00 0.00 179.01 174.16 2gaq n TRP 70 N -2.45 0.19 -0.23 0.92 4.27 -0.43 -3.40 117.44 116.32 2gaq n TRP 70 Ca 0.01 0.10 -0.02 0.00 -3.89 0.00 0.00 57.50 53.70 2gaq n TRP 70 Cb 0.19 -0.66 0.04 0.00 -1.36 0.00 0.00 31.31 29.52 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2gaq h ARG 72 N -0.08 0.11 0.00 0.00 0.11 -1.83 0.60 114.38 113.28 2gaq h ARG 72 Ca 0.29 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.36 2gaq h ARG 72 Cb 0.54 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.59 2gaq h ARG 72 CO -0.71 0.07 -0.15 0.87 0.10 0.00 0.00 179.97 180.15 2gaq h LYS 73 N 0.11 0.00 -1.21 0.08 1.57 -0.83 -3.37 116.57 112.91 2gaq h LYS 73 Ca 0.48 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.61 2gaq h LYS 73 Cb 1.72 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.98 2gaq h LYS 73 CO -0.07 0.00 0.98 -0.92 -0.57 0.00 0.00 179.45 178.88 2gaq h TYR 74 N -0.68 0.00 -0.76 -1.35 5.03 0.13 1.05 116.97 120.39 2gaq h TYR 74 Ca 0.00 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.33 2gaq h TYR 74 Cb 0.15 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.39 2gaq h TYR 74 CO -0.06 0.00 0.50 0.52 -1.32 0.00 0.00 178.16 177.80 2gaq h MET 75 N 0.00 0.95 0.00 1.82 2.86 0.03 -1.17 114.93 119.42 2gaq h MET 75 Ca 0.58 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 58.14 2gaq h MET 75 Cb 2.54 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 33.98 2gaq h MET 75 CO -0.01 0.63 -1.09 1.63 1.06 0.00 0.00 176.91 179.13 2gaq n LYS 76 N -4.44 2.26 -1.79 1.72 4.76 0.12 -4.72 118.16 116.08 2gaq n LYS 76 Ca 0.09 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 2gaq n LYS 76 Cb 0.08 -1.04 0.07 0.00 -1.84 0.00 0.00 35.03 32.30 2gaq n LYS 76 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2gaq n SER 77 N -1.85 3.48 -1.86 4.39 2.88 0.32 -4.89 113.62 116.07 2gaq n SER 77 Ca -0.02 -3.43 -0.03 0.00 -1.33 0.00 0.00 58.87 54.07 2gaq n SER 77 Cb 0.34 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.36 2gaq n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gaq n GLY 78 N -0.71 1.96 3.87 0.46 0.00 -0.44 -4.17 105.19 106.16 2gaq n GLY 78 Ca 0.31 -0.28 -0.34 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 2.13 6.61 0.60 1.61 2.47 -1.26 -4.96 114.94 122.14 2gaq s ASN 79 Ca 0.16 0.76 0.29 0.00 0.42 0.00 0.00 52.86 54.48 2gaq s ASN 79 Cb 0.07 -2.16 1.29 0.00 -1.45 0.00 0.00 41.25 39.00 2gaq s ASN 79 CO 0.00 0.14 1.67 0.58 -3.72 0.00 0.00 177.10 175.78 2gaq h VAL 80 N 2.70 0.21 -0.14 -5.21 2.07 -1.98 0.28 116.25 114.17 2gaq h VAL 80 Ca -0.48 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.08 2gaq h VAL 80 Cb 1.19 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2gaq h VAL 80 CO 0.68 0.00 0.39 0.11 0.02 0.00 0.00 177.57 178.76 2gaq h LYS 81 N 0.00 0.00 0.05 1.57 1.79 -1.93 0.38 116.57 118.44 2gaq h LYS 81 Ca 0.33 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.42 2gaq h LYS 81 Cb 1.88 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.48 2gaq h LYS 81 CO -0.00 0.00 -2.29 -0.25 -1.08 0.00 0.00 179.45 175.83 2gaq n ASP 82 N -3.15 2.01 -0.35 0.86 8.00 0.97 -4.52 116.55 120.37 2gaq n ASP 82 Ca 0.01 -0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.48 2gaq n ASP 82 Cb 0.48 -0.57 0.09 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.03 1.11 -1.90 0.64 7.12 -0.85 -0.65 115.31 120.80 2gaq h LEU 83 Ca -0.52 -0.06 0.37 0.00 0.13 0.00 0.00 57.88 57.80 2gaq h LEU 83 Cb 1.96 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 41.76 2gaq h LEU 83 CO -0.02 0.84 0.98 0.00 -0.13 0.00 0.00 178.44 180.11 2gaq h THR 84 N 1.28 0.28 0.04 1.05 1.03 -0.59 0.52 112.91 116.52 2gaq h THR 84 Ca 0.34 0.00 -0.38 0.00 -0.01 0.00 0.00 66.41 66.36 2gaq h THR 84 Cb -0.08 0.30 -0.05 0.00 -1.07 0.00 0.00 68.15 67.26 2gaq h THR 84 CO -0.07 0.00 -2.20 0.00 -0.01 0.00 0.00 175.52 173.24 2gaq n GLN 85 N -3.99 0.66 0.25 0.00 6.02 -0.37 -3.57 117.38 116.38 2gaq n GLN 85 Ca 0.28 0.26 0.08 0.00 -0.01 0.00 0.00 57.00 57.60 2gaq n GLN 85 Cb 1.38 -1.60 0.61 0.00 1.02 0.00 0.00 30.24 31.66 2gaq n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gaq h ALA 86 N -0.22 1.71 -0.66 -1.58 0.00 0.09 0.89 119.26 119.48 2gaq h ALA 86 Ca -0.53 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 2gaq h ALA 86 Cb 1.82 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 2gaq h ALA 86 CO -0.11 0.13 0.23 2.35 0.00 0.00 0.00 179.25 181.85 2gaq h TRP 87 N 0.00 1.02 0.05 0.00 2.91 -0.18 0.68 115.95 120.42 2gaq h TRP 87 Ca -0.00 -0.08 -0.00 0.00 1.13 0.00 0.00 58.89 59.94 2gaq h TRP 87 Cb 0.20 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.55 2gaq h TRP 87 CO 0.00 0.80 -0.02 0.22 -1.03 0.00 0.00 178.44 178.41 2gaq h ASP 88 N 0.97 -0.05 -0.59 2.65 1.82 -0.94 0.26 116.42 120.53 2gaq h ASP 88 Ca 0.22 -0.25 -0.09 0.00 -0.39 0.00 0.00 57.03 56.52 2gaq h ASP 88 Cb 0.25 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 2gaq h ASP 88 CO -0.01 0.22 0.02 -0.07 -1.61 0.00 0.00 179.24 177.79 2gaq h LEU 89 N -0.33 1.01 0.03 2.28 3.38 -0.66 0.71 115.31 121.72 2gaq h LEU 89 Ca -0.01 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2gaq h LEU 89 Cb 0.30 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2gaq h LEU 89 CO 0.01 1.05 -0.01 1.88 0.09 0.00 0.00 178.44 181.46 2gaq h TYR 90 N 0.93 -0.03 -0.08 1.13 -1.99 0.46 0.03 116.97 117.41 2gaq h TYR 90 Ca 0.17 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.78 2gaq h TYR 90 Cb 0.53 0.01 0.01 0.00 2.00 0.00 0.00 36.73 39.27 2gaq h TYR 90 CO 0.04 0.04 -0.40 -0.92 -0.00 0.00 0.00 178.16 176.93 2gaq h TYR 91 N -0.10 0.55 -0.97 4.88 3.20 -0.25 0.37 116.97 124.65 2gaq h TYR 91 Ca -0.00 -0.24 0.14 0.00 3.14 0.00 0.00 58.73 61.77 2gaq h TYR 91 Cb 0.09 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.19 2gaq h TYR 91 CO -0.05 1.00 0.61 1.25 -1.64 0.00 0.00 178.16 179.33 2gaq h HIS 92 N -0.05 1.02 0.05 -3.82 2.76 0.46 -1.42 115.15 114.15 2gaq h HIS 92 Ca -0.03 0.03 -0.30 0.00 -2.20 0.00 0.00 60.37 57.87 2gaq h HIS 92 Cb 1.05 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 2gaq h HIS 92 CO 0.12 0.36 -1.66 -0.24 -1.30 0.00 0.00 177.93 175.21 2gaq h VAL 93 N 0.84 0.95 -1.41 5.26 3.04 -0.98 -3.22 116.25 120.74 2gaq h VAL 93 Ca 0.50 -2.72 0.42 0.00 -1.01 0.00 0.00 66.70 63.89 2gaq h VAL 93 Cb 0.66 2.55 -0.09 0.00 -2.01 0.00 0.00 31.29 32.40 2gaq h VAL 93 CO -0.27 0.69 0.97 0.15 -1.01 0.00 0.00 177.57 178.10 2gaq h PHE 94 N 0.03 0.27 0.13 3.17 3.04 0.88 0.46 116.94 124.93 2gaq h PHE 94 Ca -0.28 0.01 -0.34 0.00 3.98 0.00 0.00 57.97 61.35 2gaq h PHE 94 Cb 2.00 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 40.43 2gaq h PHE 94 CO 0.03 -0.06 -1.76 0.00 -2.02 0.00 0.00 178.31 174.49 2gaq h ARG 95 N 0.08 0.28 0.39 1.11 3.08 -1.63 -3.27 114.38 114.42 2gaq h ARG 95 Ca 0.75 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2gaq h ARG 95 Cb 2.64 0.18 0.00 0.00 0.08 0.00 0.00 29.97 32.88 2gaq h ARG 95 CO -0.19 1.23 -0.19 0.00 -1.07 0.00 0.00 179.97 179.76 2gaq h ARG 96 N -0.07 -0.50 0.00 0.04 2.47 -0.53 -2.94 114.38 112.85 2gaq h ARG 96 Ca -0.37 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2gaq h ARG 96 Cb 1.95 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.38 2gaq h ARG 96 CO 0.09 -0.33 0.00 -0.84 0.56 0.00 0.00 179.97 179.45 2gaq h ILE 97 N -0.52 0.00 0.09 2.04 3.07 -0.54 -2.51 117.51 119.14 2gaq h ILE 97 Ca -0.05 -0.15 -0.00 0.00 1.55 0.00 0.00 64.86 66.21 2gaq h ILE 97 Cb 0.40 1.02 -0.00 0.00 -0.27 0.00 0.00 36.82 37.96 2gaq h ILE 97 CO 0.09 0.00 -0.07 -1.28 -1.05 0.00 0.00 178.15 175.84 2gaq h SER 98 N 0.00 -0.18 0.00 2.16 0.87 -1.57 -3.46 113.55 111.37 2gaq h SER 98 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2gaq h SER 98 Cb 0.16 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2gaq h SER 98 CO 0.00 -0.10 0.00 2.29 -0.53 0.00 0.00 176.83 178.49 2gaq n LYS 99 N -2.64 0.00 0.00 2.24 2.85 -1.16 -5.02 118.16 114.43 2gaq n LYS 99 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 2gaq n LYS 99 Cb 0.07 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.45 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29