#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 -2.59 0.05 -1.84 -0.00 -1.26 -4.86 117.00 106.50 2gaq n LEU 2 Ca 0.00 -0.88 0.00 0.00 -0.00 0.00 0.00 56.01 55.13 2gaq n LEU 2 Cb 0.00 -2.01 0.31 0.00 -0.00 0.00 0.00 43.42 41.71 2gaq n LEU 2 CO 0.00 0.21 0.87 0.16 -0.00 0.00 0.00 177.39 178.63 2gaq h ILE 3 N -0.74 1.21 0.00 1.47 -2.65 -2.03 -3.44 117.51 111.33 2gaq h ILE 3 Ca -0.55 -0.90 0.00 0.00 1.03 0.00 0.00 64.86 64.44 2gaq h ILE 3 Cb 1.33 1.14 0.00 0.00 -2.05 0.00 0.00 36.82 37.24 2gaq h ILE 3 CO 0.40 0.29 0.00 0.54 0.03 0.00 0.00 178.15 179.41 2gaq n ARG 4 N -4.24 0.00 0.00 0.16 5.12 -1.26 -4.98 116.66 111.46 2gaq n ARG 4 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2gaq n ARG 4 Cb 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.59 2gaq n ARG 4 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2gaq n VAL 5 N -2.38 0.00 -2.53 1.55 3.14 -1.26 -5.00 118.33 111.85 2gaq n VAL 5 Ca 0.00 -0.45 -0.21 0.00 -2.96 0.00 0.00 64.34 60.71 2gaq n VAL 5 Cb 0.00 1.07 -0.00 0.00 -1.06 0.00 0.00 33.84 33.85 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 -0.23 -0.69 -1.00 1.55 0.00 -1.26 -4.97 120.51 113.91 2gaq n ALA 6 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2gaq n ALA 6 Cb 0.02 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 16.91 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 -4.13 0.00 -1.54 0.00 0.13 -1.26 -4.91 119.36 107.66 2gaq n ILE 7 Ca -0.22 0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.93 2gaq n ILE 7 Cb 0.67 -1.48 0.00 0.00 -0.84 0.00 0.00 39.64 37.99 2gaq n ILE 7 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2gaq n LEU 8 N 0.00 -1.55 -0.02 9.51 7.99 -1.26 -4.41 117.00 127.26 2gaq n LEU 8 Ca 0.00 2.51 -0.15 0.00 -0.01 0.00 0.00 56.01 58.36 2gaq n LEU 8 Cb 0.00 -2.99 -0.11 0.00 -0.11 0.00 0.00 43.42 40.21 2gaq n LEU 8 CO 0.00 -0.46 0.39 -0.50 -1.51 0.00 0.00 177.39 175.31 2gaq h TRP 9 N 0.48 0.28 -1.00 -1.77 6.55 -1.92 -3.25 115.95 115.33 2gaq h TRP 9 Ca 0.00 -0.15 0.38 0.00 0.95 0.00 0.00 58.89 60.07 2gaq h TRP 9 Cb 0.64 -0.03 -0.18 0.00 -0.86 0.00 0.00 29.16 28.74 2gaq h TRP 9 CO 0.05 0.95 0.44 1.25 -1.05 0.00 0.00 178.44 180.08 2gaq h HIS 10 N -0.47 0.67 0.34 0.49 -0.00 -1.92 0.36 115.15 114.62 2gaq h HIS 10 Ca -0.03 0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2gaq h HIS 10 Cb 1.02 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 2gaq h HIS 10 CO 0.18 -0.43 -0.16 0.93 -0.00 0.00 0.00 177.93 178.44 2gaq h GLU 11 N 0.05 -0.44 0.00 5.26 4.39 -1.77 0.12 114.58 122.19 2gaq h GLU 11 Ca 0.78 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.47 2gaq h GLU 11 Cb 1.96 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.71 2gaq h GLU 11 CO -0.78 -0.24 -0.20 0.00 -1.16 0.00 0.00 179.01 176.64 2gaq h MET 12 N -0.55 0.00 -0.17 2.33 -0.00 -1.09 -2.77 114.93 112.69 2gaq h MET 12 Ca -0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.43 2gaq h MET 12 Cb 0.41 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.02 2gaq h MET 12 CO 0.08 0.20 -0.76 -1.49 -0.00 0.00 0.00 176.91 174.93 2gaq h TRP 13 N 0.00 1.08 -0.39 -0.10 4.06 0.04 0.64 115.95 121.28 2gaq h TRP 13 Ca -0.00 -0.47 0.08 0.00 2.06 0.00 0.00 58.89 60.56 2gaq h TRP 13 Cb 0.57 -0.17 -0.08 0.00 -1.00 0.00 0.00 29.16 28.48 2gaq h TRP 13 CO 0.00 1.30 -0.18 0.45 -3.56 0.00 0.00 178.44 176.46 2gaq h HIS 14 N 0.55 -0.44 0.08 0.49 3.86 -0.47 0.48 115.15 119.71 2gaq h HIS 14 Ca -0.05 0.04 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 2gaq h HIS 14 Cb 1.39 0.25 -0.03 0.00 1.06 0.00 0.00 27.41 30.08 2gaq h HIS 14 CO 0.09 -0.26 -1.88 0.39 0.86 0.00 0.00 177.93 177.13 2gaq n GLU 15 N -5.36 0.71 0.26 2.45 1.02 -1.23 -1.77 120.64 116.72 2gaq n GLU 15 Ca 0.02 0.28 0.08 0.00 -0.02 0.00 0.00 57.16 57.52 2gaq n GLU 15 Cb 0.27 -1.74 0.63 0.00 -0.02 0.00 0.00 31.44 30.58 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 2.04 0.00 1.35 0.62 0.00 0.62 0.88 103.07 108.57 2gaq h GLY 16 Ca -0.37 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.66 2gaq h GLY 16 CO 0.09 0.00 -1.44 1.41 0.00 0.00 0.00 176.54 176.59 2gaq h LEU 17 N 0.00 0.51 0.05 3.11 3.38 -0.15 -3.21 115.31 119.00 2gaq h LEU 17 Ca -0.00 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 2gaq h LEU 17 Cb 0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2gaq h LEU 17 CO 0.00 1.50 -0.02 -0.08 0.09 0.00 0.00 178.44 179.93 2gaq h GLU 18 N 0.09 -0.06 0.00 1.13 4.81 -0.24 0.82 114.58 121.13 2gaq h GLU 18 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2gaq h GLU 18 Cb 2.04 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.43 2gaq h GLU 18 CO 0.20 0.37 0.00 1.49 -0.73 0.00 0.00 179.01 180.34 2gaq h GLU 19 N -0.50 0.00 0.00 1.92 4.57 0.52 0.37 114.58 121.46 2gaq h GLU 19 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2gaq h GLU 19 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2gaq h GLU 19 CO 0.01 0.00 -0.61 0.00 -1.18 0.00 0.00 179.01 177.23 2gaq n ALA 20 N -2.02 0.54 -0.12 2.92 0.00 -1.07 -3.41 120.51 117.35 2gaq n ALA 20 Ca -0.02 -0.53 0.23 0.00 0.00 0.00 0.00 53.44 53.12 2gaq n ALA 20 Cb 0.11 0.02 0.66 0.00 0.00 0.00 0.00 19.45 20.24 2gaq n ALA 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2gaq h SER 21 N -0.83 0.10 -0.11 0.00 0.02 0.77 0.49 113.55 114.00 2gaq h SER 21 Ca 0.00 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2gaq h SER 21 Cb 0.61 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2gaq h SER 21 CO 0.00 0.04 -0.38 -0.09 -1.14 0.00 0.00 176.83 175.27 2gaq h ARG 22 N 0.10 0.44 -0.04 3.45 2.43 -0.42 0.74 114.38 121.09 2gaq h ARG 22 Ca 0.36 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2gaq h ARG 22 Cb 1.27 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2gaq h ARG 22 CO -0.04 0.96 0.27 -0.07 -1.51 0.00 0.00 179.97 179.58 2gaq h LEU 23 N 0.01 0.00 0.00 3.80 3.38 -0.93 -1.40 115.31 120.17 2gaq h LEU 23 Ca -0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 2gaq h LEU 23 Cb 1.01 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2gaq h LEU 23 CO 0.08 0.00 -2.13 0.00 0.09 0.00 0.00 178.44 176.48 2gaq n TYR 24 N -3.04 0.00 -0.20 1.13 9.36 -0.95 -2.00 117.16 121.46 2gaq n TYR 24 Ca -0.01 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.18 2gaq n TYR 24 Cb 0.34 -0.79 0.03 0.00 -0.63 0.00 0.00 39.34 38.30 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 -0.64 -0.03 2.98 3.57 0.16 -3.35 116.94 119.63 2gaq h PHE 25 Ca -0.44 0.06 -0.16 0.00 3.53 0.00 0.00 57.97 60.96 2gaq h PHE 25 Cb 1.85 0.37 -0.17 0.00 2.79 0.00 0.00 35.95 40.79 2gaq h PHE 25 CO 0.01 -0.33 -0.37 0.41 -2.23 0.00 0.00 178.31 175.80 2gaq n GLY 26 N -1.44 1.46 0.01 2.40 0.00 -1.07 -4.93 105.19 101.62 2gaq n GLY 26 Ca 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.91 2gaq n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gaq n GLU 27 N -0.87 4.60 -2.58 1.61 4.71 -1.22 -5.00 120.64 121.89 2gaq n GLU 27 Ca -0.19 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.16 56.83 2gaq n GLU 27 Cb 0.82 -0.83 -0.00 0.00 -1.01 0.00 0.00 31.44 30.42 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 -1.11 -2.56 -3.02 3.49 1.74 -1.23 -4.82 116.66 109.15 2gaq n ARG 28 Ca 0.01 0.40 -0.19 0.00 -0.77 0.00 0.00 57.85 57.31 2gaq n ARG 28 Cb 0.11 -4.98 -0.02 0.00 -1.02 0.00 0.00 32.46 26.55 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 -1.77 1.81 -0.03 0.55 2.85 -0.85 -4.88 115.26 112.95 2gaq n ASN 29 Ca -0.09 -3.12 0.23 0.00 -0.11 0.00 0.00 54.58 51.49 2gaq n ASN 29 Cb 0.57 -0.59 0.72 0.00 1.24 0.00 0.00 39.78 41.72 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 1.77 0.58 -0.56 3.44 3.04 -1.87 0.10 116.25 122.76 2gaq h VAL 30 Ca 0.08 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.82 2gaq h VAL 30 Cb 0.91 0.66 -0.03 0.00 -2.01 0.00 0.00 31.29 30.82 2gaq h VAL 30 CO 0.58 0.00 0.37 0.50 -1.01 0.00 0.00 177.57 178.01 2gaq h LYS 31 N 0.00 0.58 -0.11 4.17 3.11 -1.89 -1.67 116.57 120.76 2gaq h LYS 31 Ca 0.29 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 58.05 2gaq h LYS 31 Cb 1.24 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.33 2gaq h LYS 31 CO -0.00 0.38 -0.10 0.78 -2.81 0.00 0.00 179.45 177.69 2gaq h GLY 32 N 0.59 0.29 1.66 5.01 0.00 -1.13 -3.09 103.07 106.41 2gaq h GLY 32 Ca 0.23 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.32 2gaq h GLY 32 CO -0.06 0.26 0.13 0.00 0.00 0.00 0.00 176.54 176.87 2gaq h MET 33 N -0.14 0.04 0.00 4.80 -0.00 -1.32 0.11 114.93 118.43 2gaq h MET 33 Ca 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 2gaq h MET 33 Cb 0.62 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 2gaq h MET 33 CO 0.03 0.03 0.00 0.74 -0.00 0.00 0.00 176.91 177.70 2gaq h PHE 34 N 0.04 0.00 0.07 -0.10 0.04 -1.24 -0.25 116.94 115.50 2gaq h PHE 34 Ca 0.09 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.50 2gaq h PHE 34 Cb 0.29 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 2gaq h PHE 34 CO -0.00 0.00 -2.07 -1.91 -0.60 0.00 0.00 178.31 173.73 2gaq n GLU 35 N -2.70 0.71 0.08 1.51 4.07 0.39 -1.48 120.64 123.21 2gaq n GLU 35 Ca -0.00 0.23 -0.10 0.00 -0.06 0.00 0.00 57.16 57.22 2gaq n GLU 35 Cb 0.18 -1.67 -0.10 0.00 -0.06 0.00 0.00 31.44 29.79 2gaq n GLU 35 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 2gaq h VAL 36 N 0.04 1.59 0.00 6.31 3.04 -1.40 -3.25 116.25 122.59 2gaq h VAL 36 Ca -0.44 -3.11 -0.04 0.00 -1.01 0.00 0.00 66.70 62.10 2gaq h VAL 36 Cb 2.02 2.79 -0.01 0.00 -2.01 0.00 0.00 31.29 34.08 2gaq h VAL 36 CO 0.05 0.90 -0.50 0.25 -1.01 0.00 0.00 177.57 177.26 2gaq h LEU 37 N 0.05 0.00 -0.53 3.16 5.85 -1.20 -3.34 115.31 119.30 2gaq h LEU 37 Ca -0.06 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.77 2gaq h LEU 37 Cb 1.77 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.69 2gaq h LEU 37 CO 0.15 0.18 -0.24 -0.08 -0.34 0.00 0.00 178.44 178.12 2gaq h GLU 38 N 0.00 -0.11 0.00 1.25 4.22 -1.29 0.87 114.58 119.52 2gaq h GLU 38 Ca -0.02 0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.36 2gaq h GLU 38 Cb 1.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2gaq h GLU 38 CO 0.02 -0.07 -0.31 -1.00 -2.18 0.00 0.00 179.01 175.46 2gaq h PRO 39 N -0.11 0.00 0.00 0.92 0.13 -1.72 -2.76 132.00 128.46 2gaq h PRO 39 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 2gaq h PRO 39 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2gaq h PRO 39 CO -0.60 0.31 0.00 -0.07 -0.23 0.00 0.00 178.00 177.41 2gaq h LEU 40 N 0.00 0.00 -0.01 1.56 3.38 -1.03 0.35 115.31 119.56 2gaq h LEU 40 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2gaq h LEU 40 Cb 0.84 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.60 2gaq h LEU 40 CO 0.04 0.00 -0.58 -0.74 0.09 0.00 0.00 178.44 177.25 2gaq h HIS 41 N 0.00 0.62 0.17 1.13 -0.00 -0.78 -3.19 115.15 113.09 2gaq h HIS 41 Ca 0.00 -0.33 -0.30 0.00 -0.00 0.00 0.00 60.37 59.74 2gaq h HIS 41 Cb 0.46 -0.07 0.03 0.00 -0.00 0.00 0.00 27.41 27.82 2gaq h HIS 41 CO 0.00 1.14 -1.28 0.00 -0.00 0.00 0.00 177.93 177.79 2gaq h ALA 42 N 0.34 -0.08 0.00 5.26 0.00 -1.35 -0.53 119.26 122.90 2gaq h ALA 42 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2gaq h ALA 42 Cb 1.29 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2gaq h ALA 42 CO 0.12 0.65 0.00 -1.33 0.00 0.00 0.00 179.25 178.68 2gaq n MET 43 N -3.81 0.70 -0.01 0.00 2.00 0.12 -0.96 117.12 115.16 2gaq n MET 43 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.58 2gaq n MET 43 Cb 1.01 -1.49 -0.05 0.00 0.00 0.00 0.00 33.22 32.69 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 -0.99 0.58 -0.04 0.03 0.00 -1.07 -4.75 117.12 110.87 2gaq n MET 44 Ca 0.17 -0.05 -0.13 0.00 0.00 0.00 0.00 57.70 57.68 2gaq n MET 44 Cb 0.08 -1.15 -0.14 0.00 0.00 0.00 0.00 33.22 32.00 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 -1.79 0.68 -0.17 2.12 2.13 -0.23 -4.22 120.64 119.15 2gaq n GLU 45 Ca -0.02 0.21 0.28 0.00 0.66 0.00 0.00 57.16 58.29 2gaq n GLU 45 Cb 0.24 -1.69 0.72 0.00 0.27 0.00 0.00 31.44 30.99 2gaq n GLU 45 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2gaq h ARG 46 N 0.02 0.00 0.00 5.31 2.43 -1.31 -3.47 114.38 117.36 2gaq h ARG 46 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2gaq h ARG 46 Cb 2.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 2gaq h ARG 46 CO 0.05 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.92 2gaq n GLY 47 N -1.71 2.83 3.76 2.80 0.00 -1.26 -5.05 105.19 106.56 2gaq n GLY 47 Ca 0.18 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.20 3.49 0.00 1.61 0.04 -1.26 -4.97 135.00 130.71 2gaq s PRO 48 Ca 0.00 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2gaq s PRO 48 Cb 0.00 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2gaq s PRO 48 CO 0.00 -0.81 0.00 0.94 0.04 0.00 0.00 177.00 177.17 2gaq n GLN 49 N -0.76 0.00 0.00 4.56 -0.06 -1.26 -5.00 117.38 114.86 2gaq n GLN 49 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 2gaq n GLN 49 Cb 0.47 -0.02 0.00 0.00 -4.06 0.00 0.00 30.24 26.64 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 -0.32 0.00 -2.22 1.69 5.66 -1.26 -4.99 114.28 112.84 2gaq n THR 50 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 2gaq n THR 50 Cb 0.00 -0.73 0.01 0.00 -1.55 0.00 0.00 70.33 68.06 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 -0.20 -0.00 1.09 7.94 -1.26 -5.01 117.00 119.55 2gaq n LEU 51 Ca 0.00 -1.01 -0.00 0.00 -1.11 0.00 0.00 56.01 53.89 2gaq n LEU 51 Cb 0.00 0.58 -0.00 0.00 0.53 0.00 0.00 43.42 44.53 2gaq n LEU 51 CO 0.00 0.96 -0.52 0.29 -1.11 0.00 0.00 177.39 177.01 2gaq n LYS 52 N -0.16 0.01 -1.40 1.96 5.02 -1.26 -4.81 118.16 117.52 2gaq n LYS 52 Ca -0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2gaq n LYS 52 Cb 0.48 -0.99 -0.07 0.00 -0.02 0.00 0.00 35.03 34.43 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 -2.54 3.11 -2.70 1.97 0.00 -1.26 -4.18 120.64 115.04 2gaq n GLU 53 Ca -0.01 -2.13 -0.06 0.00 0.00 0.00 0.00 57.16 54.96 2gaq n GLU 53 Cb 0.51 -2.39 0.08 0.00 0.00 0.00 0.00 31.44 29.64 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 2.30 0.52 -1.20 3.84 -1.04 -1.26 -4.76 114.28 112.69 2gaq n THR 54 Ca 0.58 -2.18 0.08 0.00 -2.04 0.00 0.00 64.05 60.50 2gaq n THR 54 Cb 0.51 0.92 0.18 0.00 -1.82 0.00 0.00 70.33 70.12 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 -0.54 2.43 0.00 8.00 2.88 -1.26 -4.44 113.62 120.69 2gaq n SER 55 Ca 0.01 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 2gaq n SER 55 Cb 0.84 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2gaq n SER 55 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2gaq n PHE 56 N -1.22 0.00 0.13 0.66 3.72 -1.26 -4.34 117.46 115.15 2gaq n PHE 56 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 2gaq n PHE 56 Cb 0.71 0.20 0.12 0.00 -0.94 0.00 0.00 39.48 39.57 2gaq n PHE 56 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2gaq h ASN 57 N 0.00 0.00 -0.01 4.37 4.21 -1.84 0.49 115.58 122.81 2gaq h ASN 57 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2gaq h ASN 57 Cb 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 2gaq h ASN 57 CO 0.00 0.62 -0.61 1.67 -1.29 0.00 0.00 177.43 177.81 2gaq n GLN 58 N -3.48 1.02 -0.05 0.81 -0.06 -1.26 -3.76 117.38 110.61 2gaq n GLN 58 Ca 0.00 -0.64 -0.06 0.00 -2.00 0.00 0.00 57.00 54.29 2gaq n GLN 58 Cb 0.69 -1.44 -0.04 0.00 -4.06 0.00 0.00 30.24 25.39 2gaq n GLN 58 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2gaq n ALA 59 N -0.51 1.80 -3.12 1.69 0.00 -1.18 -4.90 120.51 114.29 2gaq n ALA 59 Ca 0.07 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 2gaq n ALA 59 Cb 0.40 0.29 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.77 -0.65 0.23 0.00 4.01 0.17 -4.95 117.16 113.20 2gaq n TYR 60 Ca -0.16 -3.37 0.18 0.00 -0.16 0.00 0.00 57.90 54.38 2gaq n TYR 60 Cb 0.67 -0.08 0.84 0.00 -0.31 0.00 0.00 39.34 40.47 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 3.70 0.00 1.26 2.72 0.00 -1.58 -0.12 103.07 109.05 2gaq h GLY 61 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2gaq h GLY 61 CO 0.44 0.00 -0.57 3.21 0.00 0.00 0.00 176.54 179.62 2gaq h ARG 62 N 0.00 0.00 0.00 4.80 3.08 -1.91 -3.11 114.38 117.24 2gaq h ARG 62 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2gaq h ARG 62 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2gaq h ARG 62 CO -0.00 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.50 2gaq n ASP 63 N -2.21 0.00 -0.27 7.04 5.75 -0.06 -3.90 116.55 122.90 2gaq n ASP 63 Ca 0.03 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.96 2gaq n ASP 63 Cb 0.45 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.82 2gaq n ASP 63 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2gaq n LEU 64 N 0.00 -0.02 -0.20 -2.12 0.00 -1.26 -0.40 117.00 113.00 2gaq n LEU 64 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 56.01 57.36 2gaq n LEU 64 Cb 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 43.42 42.98 2gaq n LEU 64 CO 0.00 -1.40 0.82 -0.03 0.00 0.00 0.00 177.39 176.79 2gaq h MET 65 N 0.00 0.10 0.09 1.96 4.05 -1.82 0.29 114.93 119.60 2gaq h MET 65 Ca 0.52 -0.01 -0.31 0.00 -0.28 0.00 0.00 59.70 59.63 2gaq h MET 65 Cb 1.16 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.92 2gaq h MET 65 CO -0.72 0.06 -1.60 0.93 0.23 0.00 0.00 176.91 175.81 2gaq h GLU 66 N 0.10 0.19 -0.27 0.39 4.39 -1.02 -0.30 114.58 118.07 2gaq h GLU 66 Ca 0.31 -0.33 0.08 0.00 0.34 0.00 0.00 59.36 59.75 2gaq h GLU 66 Cb 0.49 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2gaq h GLU 66 CO -0.52 1.01 0.30 0.00 -1.16 0.00 0.00 179.01 178.64 2gaq h ALA 67 N 0.55 1.91 0.00 3.43 0.00 0.15 -2.02 119.26 123.27 2gaq h ALA 67 Ca -0.26 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.26 2gaq h ALA 67 Cb 2.01 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.75 2gaq h ALA 67 CO 0.13 -0.44 -2.37 0.94 0.00 0.00 0.00 179.25 177.51 2gaq n GLN 68 N -3.73 0.58 -0.17 0.00 0.00 0.95 -4.59 117.38 110.42 2gaq n GLN 68 Ca 0.04 0.16 0.29 0.00 -0.00 0.00 0.00 57.00 57.49 2gaq n GLN 68 Cb 0.44 -1.46 0.71 0.00 0.00 0.00 0.00 30.24 29.93 2gaq n GLN 68 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2gaq h GLU 69 N -0.25 0.00 -2.30 3.69 4.81 -0.34 -1.65 114.58 118.54 2gaq h GLU 69 Ca -0.56 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.57 2gaq h GLU 69 Cb 1.75 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.10 2gaq h GLU 69 CO -0.17 0.00 -0.04 0.91 -0.73 0.00 0.00 179.01 178.98 2gaq n TRP 70 N -3.91 0.00 -0.03 0.92 8.01 -0.93 -4.22 117.44 117.28 2gaq n TRP 70 Ca 0.19 -0.87 -0.18 0.00 -1.31 0.00 0.00 57.50 55.33 2gaq n TRP 70 Cb 1.07 -1.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.24 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 -0.69 0.00 0.00 0.00 3.08 -1.88 0.43 114.38 115.32 2gaq h ARG 72 Ca -0.15 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 2gaq h ARG 72 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 2gaq h ARG 72 CO 0.02 0.00 -0.38 -0.22 -1.07 0.00 0.00 179.97 178.32 2gaq h LYS 73 N 0.00 0.00 -0.23 0.04 1.63 -1.87 -2.95 116.57 113.18 2gaq h LYS 73 Ca 0.02 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2gaq h LYS 73 Cb 0.11 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2gaq h LYS 73 CO -0.00 0.67 0.27 -0.92 -3.45 0.00 0.00 179.45 176.01 2gaq h TYR 74 N -1.00 0.00 0.12 1.91 3.20 0.01 0.47 116.97 121.68 2gaq h TYR 74 Ca -0.09 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2gaq h TYR 74 Cb 0.81 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.08 2gaq h TYR 74 CO 0.11 0.00 -0.06 0.52 -1.64 0.00 0.00 178.16 177.10 2gaq h MET 75 N 0.00 -0.15 0.03 1.82 2.86 -0.28 -2.36 114.93 116.86 2gaq h MET 75 Ca 0.11 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 2gaq h MET 75 Cb 0.64 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.35 2gaq h MET 75 CO -0.00 -0.10 -0.33 0.87 1.06 0.00 0.00 176.91 178.40 2gaq h LYS 76 N -1.01 0.16 -0.27 1.72 1.79 -1.32 -3.34 116.57 114.30 2gaq h LYS 76 Ca -0.02 -0.22 -0.08 0.00 -2.18 0.00 0.00 60.65 58.15 2gaq h LYS 76 Cb 0.12 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2gaq h LYS 76 CO 0.03 1.03 -0.14 1.03 -1.08 0.00 0.00 179.45 180.31 2gaq h SER 77 N -0.59 0.60 -4.35 0.86 0.87 -0.27 -3.47 113.55 107.20 2gaq h SER 77 Ca -0.05 -0.41 -0.17 0.00 -1.23 0.00 0.00 61.79 59.92 2gaq h SER 77 Cb 1.17 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2gaq h SER 77 CO 0.06 0.88 -0.22 0.61 -0.53 0.00 0.00 176.83 177.64 2gaq n GLY 78 N -0.01 -0.50 3.52 5.77 0.00 -0.89 -4.89 105.19 108.19 2gaq n GLY 78 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.06 5.34 0.60 1.61 -0.87 -1.26 -4.95 114.94 113.34 2gaq s ASN 79 Ca 0.03 -0.09 0.27 0.00 -1.57 0.00 0.00 52.86 51.49 2gaq s ASN 79 Cb -0.01 -1.94 1.46 0.00 -0.02 0.00 0.00 41.25 40.73 2gaq s ASN 79 CO 0.03 0.05 1.80 0.58 -2.57 0.00 0.00 177.10 176.99 2gaq h VAL 80 N 5.28 0.00 -0.32 1.60 2.07 -1.97 0.15 116.25 123.06 2gaq h VAL 80 Ca -0.37 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.25 2gaq h VAL 80 Cb 1.18 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2gaq h VAL 80 CO 0.62 0.00 0.41 0.11 0.02 0.00 0.00 177.57 178.73 2gaq h LYS 81 N 0.00 0.00 0.09 1.57 1.79 -1.98 0.56 116.57 118.59 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 0.64 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 2gaq h LYS 81 CO 0.00 0.00 -1.80 -0.44 -1.08 0.00 0.00 179.45 176.13 2gaq h ASP 82 N 0.00 0.29 -0.44 0.86 3.32 -1.10 -3.35 116.42 116.00 2gaq h ASP 82 Ca 0.15 -0.58 -0.14 0.00 0.02 0.00 0.00 57.03 56.49 2gaq h ASP 82 Cb 0.97 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2gaq h ASP 82 CO -0.00 1.51 -0.27 -0.07 -1.72 0.00 0.00 179.24 178.68 2gaq h LEU 83 N 0.05 1.00 -1.58 1.55 -0.00 -0.83 0.13 115.31 115.63 2gaq h LEU 83 Ca -0.34 -0.42 0.06 0.00 -0.00 0.00 0.00 57.88 57.18 2gaq h LEU 83 Cb 2.03 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 42.38 2gaq h LEU 83 CO 0.11 1.21 0.38 0.00 -0.00 0.00 0.00 178.44 180.13 2gaq h THR 84 N 0.80 0.98 0.15 0.22 1.03 -0.23 0.32 112.91 116.17 2gaq h THR 84 Ca 0.09 -0.18 -0.26 0.00 -0.01 0.00 0.00 66.41 66.06 2gaq h THR 84 Cb 0.86 0.42 0.03 0.00 -1.07 0.00 0.00 68.15 68.39 2gaq h THR 84 CO 0.08 0.09 -1.10 1.56 -0.01 0.00 0.00 175.52 176.14 2gaq h GLN 85 N 0.51 0.49 -0.87 0.00 7.50 -1.59 -3.04 115.11 118.11 2gaq h GLN 85 Ca 0.25 -0.72 0.05 0.00 0.50 0.00 0.00 58.65 58.72 2gaq h GLN 85 Cb 0.31 0.25 -0.05 0.00 0.05 0.00 0.00 27.48 28.04 2gaq h GLN 85 CO -0.07 1.33 0.57 0.00 -1.50 0.00 0.00 178.83 179.16 2gaq h ALA 86 N 0.20 1.50 -0.79 3.87 0.00 0.18 0.47 119.26 124.70 2gaq h ALA 86 Ca -0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2gaq h ALA 86 Cb 1.83 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2gaq h ALA 86 CO 0.21 0.39 0.40 2.35 0.00 0.00 0.00 179.25 182.59 2gaq h TRP 87 N 1.03 1.11 -0.24 0.00 2.91 -0.46 0.44 115.95 120.74 2gaq h TRP 87 Ca 0.36 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.30 2gaq h TRP 87 Cb 0.12 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.42 2gaq h TRP 87 CO -0.00 0.79 -0.01 0.22 -1.03 0.00 0.00 178.44 178.41 2gaq h ASP 88 N 1.11 0.42 -0.59 2.65 3.58 -0.95 0.38 116.42 123.02 2gaq h ASP 88 Ca 0.27 -0.32 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 2gaq h ASP 88 Cb 0.08 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2gaq h ASP 88 CO -0.04 0.64 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.89 2gaq h LEU 89 N 0.20 1.03 -0.37 2.28 3.38 0.24 0.70 115.31 122.76 2gaq h LEU 89 Ca 0.07 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2gaq h LEU 89 Cb 0.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2gaq h LEU 89 CO 0.01 1.08 0.11 1.88 0.09 0.00 0.00 178.44 181.62 2gaq h TYR 90 N 0.96 0.60 0.11 1.13 0.05 -0.03 0.11 116.97 119.91 2gaq h TYR 90 Ca 0.17 -0.06 -0.29 0.00 0.05 0.00 0.00 58.73 58.60 2gaq h TYR 90 Cb 0.56 -0.17 0.03 0.00 1.01 0.00 0.00 36.73 38.15 2gaq h TYR 90 CO 0.04 0.58 -1.22 -0.92 -1.05 0.00 0.00 178.16 175.59 2gaq h TYR 91 N 0.45 1.01 -0.60 4.88 3.20 0.16 0.27 116.97 126.33 2gaq h TYR 91 Ca 0.12 -0.63 -0.07 0.00 3.14 0.00 0.00 58.73 61.29 2gaq h TYR 91 Cb 0.26 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2gaq h TYR 91 CO 0.01 1.47 0.09 1.25 -1.64 0.00 0.00 178.16 179.34 2gaq h HIS 92 N 0.26 1.07 0.01 -3.82 2.76 0.38 -2.56 115.15 113.25 2gaq h HIS 92 Ca -0.18 -0.15 -0.20 0.00 -2.20 0.00 0.00 60.37 57.63 2gaq h HIS 92 Cb 1.89 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 30.54 2gaq h HIS 92 CO 0.12 0.92 -0.94 -0.24 -1.30 0.00 0.00 177.93 176.48 2gaq h VAL 93 N 0.91 1.63 -0.95 5.26 3.04 -0.81 -3.20 116.25 122.12 2gaq h VAL 93 Ca 0.18 -3.09 0.28 0.00 -1.01 0.00 0.00 66.70 63.06 2gaq h VAL 93 Cb 0.43 2.70 -0.04 0.00 -2.01 0.00 0.00 31.29 32.37 2gaq h VAL 93 CO 0.01 0.89 0.82 0.15 -1.01 0.00 0.00 177.57 178.43 2gaq h PHE 94 N 0.02 0.00 0.05 3.17 3.57 -0.03 0.34 116.94 124.06 2gaq h PHE 94 Ca -0.02 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.11 2gaq h PHE 94 Cb 1.65 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.34 2gaq h PHE 94 CO 0.01 0.00 -2.21 2.89 -2.23 0.00 0.00 178.31 176.77 2gaq n ARG 95 N -3.85 0.70 0.17 1.11 -4.01 -1.22 -3.71 116.66 105.84 2gaq n ARG 95 Ca 0.20 0.19 -0.07 0.00 -1.04 0.00 0.00 57.85 57.14 2gaq n ARG 95 Cb 1.14 -1.62 -0.03 0.00 -3.04 0.00 0.00 32.46 28.91 2gaq n ARG 95 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2gaq h ARG 96 N 0.03 -0.43 0.00 2.89 2.47 -0.51 -2.92 114.38 115.91 2gaq h ARG 96 Ca -0.49 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2gaq h ARG 96 Cb 2.00 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 30.42 2gaq h ARG 96 CO 0.01 -0.28 -0.01 -0.84 0.56 0.00 0.00 179.97 179.41 2gaq h ILE 97 N -0.51 0.05 -0.49 2.04 3.07 -0.80 -1.60 117.51 119.27 2gaq h ILE 97 Ca -0.05 -0.16 0.04 0.00 1.55 0.00 0.00 64.86 66.25 2gaq h ILE 97 Cb 0.34 1.15 -0.04 0.00 -0.27 0.00 0.00 36.82 38.00 2gaq h ILE 97 CO 0.07 0.01 0.25 -1.28 -1.05 0.00 0.00 178.15 176.15 2gaq h SER 98 N 0.00 0.36 -5.93 2.16 0.87 -1.62 -3.48 113.55 105.91 2gaq h SER 98 Ca -0.00 0.03 -0.40 0.00 -1.23 0.00 0.00 61.79 60.18 2gaq h SER 98 Cb 0.15 -0.04 0.10 0.00 -0.44 0.00 0.00 62.40 62.17 2gaq h SER 98 CO 0.00 0.25 -0.73 0.29 -0.53 0.00 0.00 176.83 176.11 2gaq n LYS 99 N -4.89 -6.88 0.00 2.24 5.02 -0.60 -5.07 118.16 107.98 2gaq n LYS 99 Ca 0.04 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 2gaq n LYS 99 Cb 0.12 -5.73 0.00 0.00 -0.02 0.00 0.00 35.03 29.41 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82