#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gaq n LEU 2 N 0.00 -1.41 -0.12 -4.62 -0.00 -1.26 -4.92 117.00 104.67 2gaq n LEU 2 Ca 0.00 -0.39 -0.16 0.00 -0.00 0.00 0.00 56.01 55.47 2gaq n LEU 2 Cb 0.00 -1.06 -0.12 0.00 -0.00 0.00 0.00 43.42 42.25 2gaq n LEU 2 CO 0.00 0.14 -1.27 0.00 -0.00 0.00 0.00 177.39 176.27 2gaq n ILE 3 N -1.03 1.38 0.09 1.47 0.00 -1.26 -4.75 119.36 115.27 2gaq n ILE 3 Ca -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 62.75 62.03 2gaq n ILE 3 Cb 0.46 -1.22 0.00 0.00 0.00 0.00 0.00 39.64 38.88 2gaq n ILE 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2gaq n ARG 4 N -3.13 0.00 0.24 9.51 1.74 -1.26 -4.84 116.66 118.92 2gaq n ARG 4 Ca -0.41 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 56.83 2gaq n ARG 4 Cb 0.98 0.00 0.73 0.00 -1.02 0.00 0.00 32.46 33.15 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2gaq h VAL 5 N 0.00 0.00 -1.97 1.55 3.04 -2.01 -3.46 116.25 113.40 2gaq h VAL 5 Ca 0.00 -0.30 -0.23 0.00 -1.01 0.00 0.00 66.70 65.15 2gaq h VAL 5 Cb 0.00 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2gaq h VAL 5 CO 0.00 0.00 -0.31 0.00 -1.01 0.00 0.00 177.57 176.25 2gaq n ALA 6 N -1.98 -0.40 -2.88 3.17 0.00 -1.26 -3.90 120.51 113.25 2gaq n ALA 6 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 2gaq n ALA 6 Cb 0.22 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -3.99 -1.50 0.00 0.00 0.00 -1.26 -4.56 119.36 108.04 2gaq n ILE 7 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.64 2gaq n ILE 7 Cb 0.59 -1.35 0.00 0.00 0.00 0.00 0.00 39.64 38.89 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 -1.16 0.00 0.02 9.51 4.77 -1.25 -4.90 117.00 123.98 2gaq n LEU 8 Ca -0.12 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.89 2gaq n LEU 8 Cb 0.31 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2gaq n LEU 8 CO 0.28 -0.38 -0.47 0.79 -1.33 0.00 0.00 177.39 176.28 2gaq n TRP 9 N -0.76 0.59 -0.10 -1.77 8.01 -1.26 -3.77 117.44 118.38 2gaq n TRP 9 Ca 0.00 0.19 0.02 0.00 -1.31 0.00 0.00 57.50 56.40 2gaq n TRP 9 Cb 0.00 -0.90 0.33 0.00 -2.01 0.00 0.00 31.31 28.73 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 0.00 0.73 -0.14 -5.99 -0.00 -1.94 -1.88 115.15 105.92 2gaq h HIS 10 Ca -0.14 0.01 -0.22 0.00 -0.00 0.00 0.00 60.37 60.02 2gaq h HIS 10 Cb 1.41 -0.24 0.01 0.00 -0.00 0.00 0.00 27.41 28.59 2gaq h HIS 10 CO 0.00 0.47 -0.76 0.93 -0.00 0.00 0.00 177.93 178.58 2gaq h GLU 11 N 0.77 0.77 0.00 5.26 4.39 -1.93 -2.62 114.58 121.22 2gaq h GLU 11 Ca 0.21 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2gaq h GLU 11 Cb -0.06 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2gaq h GLU 11 CO -0.04 1.24 0.00 0.00 -1.16 0.00 0.00 179.01 179.05 2gaq n MET 12 N -3.97 0.95 0.03 2.33 0.00 -1.03 -3.12 117.12 112.31 2gaq n MET 12 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.50 2gaq n MET 12 Cb 0.74 -1.50 -0.14 0.00 0.00 0.00 0.00 33.22 32.32 2gaq n MET 12 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 175.97 174.48 2gaq h TRP 13 N 0.00 0.22 -0.34 3.17 -0.00 -0.95 0.13 115.95 118.18 2gaq h TRP 13 Ca 0.00 -0.16 0.05 0.00 -0.00 0.00 0.00 58.89 58.78 2gaq h TRP 13 Cb 0.02 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 29.12 2gaq h TRP 13 CO 0.00 1.22 0.07 0.45 -0.00 0.00 0.00 178.44 180.18 2gaq h HIS 14 N 0.03 0.12 0.04 0.49 3.86 -1.57 0.25 115.15 118.37 2gaq h HIS 14 Ca -0.23 0.02 -0.35 0.00 -1.16 0.00 0.00 60.37 58.65 2gaq h HIS 14 Cb 1.97 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 30.39 2gaq h HIS 14 CO 0.03 0.02 -2.10 -0.85 0.86 0.00 0.00 177.93 175.89 2gaq n GLU 15 N -5.09 0.69 0.27 2.45 -0.00 -1.26 -2.56 120.64 115.14 2gaq n GLU 15 Ca 0.01 0.19 0.10 0.00 -0.00 0.00 0.00 57.16 57.46 2gaq n GLU 15 Cb 0.15 -1.65 0.70 0.00 -0.00 0.00 0.00 31.44 30.63 2gaq n GLU 15 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2gaq h GLY 16 N 2.55 0.00 1.36 -1.84 0.00 -0.54 0.64 103.07 105.24 2gaq h GLY 16 Ca -0.45 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.62 2gaq h GLY 16 CO 0.04 0.00 -1.45 1.41 0.00 0.00 0.00 176.54 176.54 2gaq h LEU 17 N 0.00 0.01 -0.19 3.11 3.38 -0.65 -3.30 115.31 117.67 2gaq h LEU 17 Ca -0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2gaq h LEU 17 Cb 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2gaq h LEU 17 CO 0.00 1.01 -0.50 -0.08 0.09 0.00 0.00 178.44 178.96 2gaq h GLU 18 N 0.00 0.67 0.00 1.13 4.81 -0.73 0.92 114.58 121.38 2gaq h GLU 18 Ca -0.18 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 2gaq h GLU 18 Cb 1.93 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.38 2gaq h GLU 18 CO 0.10 1.09 0.00 1.49 -0.73 0.00 0.00 179.01 180.96 2gaq h GLU 19 N 0.36 0.00 0.00 1.92 4.57 0.00 0.27 114.58 121.71 2gaq h GLU 19 Ca -0.01 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2gaq h GLU 19 Cb 1.11 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 2gaq h GLU 19 CO 0.11 0.00 -0.90 0.00 -1.18 0.00 0.00 179.01 177.03 2gaq n ALA 20 N -2.06 0.65 -0.14 2.92 0.00 -0.88 -4.23 120.51 116.77 2gaq n ALA 20 Ca -0.00 -0.56 0.18 0.00 0.00 0.00 0.00 53.44 53.06 2gaq n ALA 20 Cb 0.24 -0.09 0.56 0.00 0.00 0.00 0.00 19.45 20.16 2gaq n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gaq h SER 21 N -1.00 0.29 -0.70 0.00 4.64 0.94 -0.44 113.55 117.27 2gaq h SER 21 Ca -0.12 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 2gaq h SER 21 Cb 0.84 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 2gaq h SER 21 CO -0.08 0.14 0.28 -0.09 -0.87 0.00 0.00 176.83 176.22 2gaq h ARG 22 N 0.31 1.05 -0.83 4.77 2.43 -0.63 0.48 114.38 121.96 2gaq h ARG 22 Ca 0.36 -0.19 0.12 0.00 -0.81 0.00 0.00 59.98 59.46 2gaq h ARG 22 Cb 0.98 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.28 2gaq h ARG 22 CO -0.10 0.87 0.45 -0.07 -1.51 0.00 0.00 179.97 179.61 2gaq h LEU 23 N 1.01 0.60 0.24 3.80 -0.00 -1.24 -1.11 115.31 118.60 2gaq h LEU 23 Ca 0.23 0.07 -0.34 0.00 -0.00 0.00 0.00 57.88 57.84 2gaq h LEU 23 Cb 0.21 -0.04 0.03 0.00 -0.00 0.00 0.00 40.66 40.86 2gaq h LEU 23 CO -0.02 0.30 -1.53 0.10 -0.00 0.00 0.00 178.44 177.29 2gaq h TYR 24 N 0.70 0.92 -0.96 1.13 -0.00 -1.38 -0.67 116.97 116.72 2gaq h TYR 24 Ca 0.42 -0.67 0.31 0.00 0.00 0.00 0.00 58.73 58.79 2gaq h TYR 24 Cb 0.49 -0.04 -0.16 0.00 0.00 0.00 0.00 36.73 37.03 2gaq h TYR 24 CO -0.08 1.59 0.37 0.35 -0.00 0.00 0.00 178.16 180.39 2gaq h PHE 25 N 0.12 0.57 -0.05 0.10 3.04 0.12 -3.32 116.94 117.52 2gaq h PHE 25 Ca -0.28 0.05 -0.11 0.00 3.98 0.00 0.00 57.97 61.61 2gaq h PHE 25 Cb 2.14 -0.09 -0.14 0.00 2.56 0.00 0.00 35.95 40.43 2gaq h PHE 25 CO 0.13 -0.30 -0.19 0.41 -2.02 0.00 0.00 178.31 176.33 2gaq n GLY 26 N -1.34 -1.20 0.00 2.40 0.00 -0.93 -5.00 105.19 99.11 2gaq n GLY 26 Ca 0.29 0.77 0.00 0.00 0.00 0.00 0.00 46.02 47.07 2gaq n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gaq n GLU 27 N 1.70 0.00 -2.98 1.61 2.13 -1.15 -4.94 120.64 117.01 2gaq n GLU 27 Ca 0.05 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.76 2gaq n GLU 27 Cb 0.67 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.42 2gaq n GLU 27 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2gaq n ARG 28 N -0.97 -3.53 -3.24 5.31 0.63 -0.29 -4.98 116.66 109.59 2gaq n ARG 28 Ca 0.00 0.37 -0.25 0.00 -0.92 0.00 0.00 57.85 57.05 2gaq n ARG 28 Cb 0.00 -4.02 -0.06 0.00 0.45 0.00 0.00 32.46 28.82 2gaq n ARG 28 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2gaq n ASN 29 N -0.51 2.47 0.29 6.15 2.85 -1.02 -4.88 115.26 120.61 2gaq n ASN 29 Ca 0.00 -3.21 0.14 0.00 -0.11 0.00 0.00 54.58 51.40 2gaq n ASN 29 Cb 0.53 -0.64 0.88 0.00 1.24 0.00 0.00 39.78 41.79 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 2.53 0.58 -0.55 3.44 2.07 -1.94 0.78 116.25 123.17 2gaq h VAL 30 Ca 0.14 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 2gaq h VAL 30 Cb 0.74 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2gaq h VAL 30 CO 0.68 0.00 0.33 0.50 0.02 0.00 0.00 177.57 179.10 2gaq h LYS 31 N 0.00 0.74 0.05 1.57 3.11 -1.97 -2.50 116.57 117.57 2gaq h LYS 31 Ca 0.00 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2gaq h LYS 31 Cb 0.02 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.10 2gaq h LYS 31 CO -0.00 0.52 -0.02 0.78 -2.81 0.00 0.00 179.45 177.92 2gaq h GLY 32 N 0.79 -0.07 0.87 5.01 0.00 -1.25 -3.07 103.07 105.36 2gaq h GLY 32 Ca 0.20 0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.68 2gaq h GLY 32 CO -0.04 -0.02 0.45 0.00 0.00 0.00 0.00 176.54 176.93 2gaq h MET 33 N -0.47 0.37 0.00 4.80 -0.00 -1.45 0.79 114.93 118.97 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 0.43 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 31.94 2gaq h MET 33 CO 0.01 0.25 -0.01 0.35 -0.00 0.00 0.00 176.91 177.51 2gaq h PHE 34 N 0.38 0.00 0.00 -0.10 3.57 -1.35 0.30 116.94 119.75 2gaq h PHE 34 Ca 0.32 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.60 2gaq h PHE 34 Cb 0.71 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 2gaq h PHE 34 CO -0.00 0.01 -1.26 1.49 -2.23 0.00 0.00 178.31 176.32 2gaq h GLU 35 N 0.00 0.00 0.00 1.11 4.81 -0.86 -0.69 114.58 118.95 2gaq h GLU 35 Ca -0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 2gaq h GLU 35 Cb 0.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2gaq h GLU 35 CO 0.00 0.64 -1.64 1.55 -0.73 0.00 0.00 179.01 178.84 2gaq n VAL 36 N -3.15 0.92 0.36 0.32 3.14 -0.51 -4.08 118.33 115.32 2gaq n VAL 36 Ca -0.07 -0.66 0.12 0.00 -2.96 0.00 0.00 64.34 60.76 2gaq n VAL 36 Cb 0.94 -0.50 0.06 0.00 -1.06 0.00 0.00 33.84 33.28 2gaq n VAL 36 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2gaq n LEU 37 N -2.72 0.73 0.28 6.55 7.99 0.95 -3.19 117.00 127.59 2gaq n LEU 37 Ca -0.11 0.21 -0.13 0.00 -0.01 0.00 0.00 56.01 55.97 2gaq n LEU 37 Cb 0.80 -0.11 -0.07 0.00 -0.11 0.00 0.00 43.42 43.94 2gaq n LEU 37 CO 0.43 -0.09 0.52 -0.08 -1.51 0.00 0.00 177.39 176.66 2gaq h GLU 38 N 0.00 -0.77 0.00 3.23 4.81 -1.26 0.35 114.58 120.94 2gaq h GLU 38 Ca 0.00 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2gaq h GLU 38 Cb 0.85 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2gaq h GLU 38 CO 0.00 -0.51 -0.30 -1.00 -0.73 0.00 0.00 179.01 176.47 2gaq h PRO 39 N -0.80 0.00 0.00 0.92 0.13 -1.74 -2.47 132.00 128.04 2gaq h PRO 39 Ca -0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 2gaq h PRO 39 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2gaq h PRO 39 CO 0.05 0.30 -0.22 -0.07 -0.23 0.00 0.00 178.00 177.83 2gaq h LEU 40 N 0.00 0.00 -0.05 1.56 3.38 -1.48 0.78 115.31 119.50 2gaq h LEU 40 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 2gaq h LEU 40 Cb 0.78 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.54 2gaq h LEU 40 CO 0.04 0.22 -0.96 -0.74 0.09 0.00 0.00 178.44 177.08 2gaq h HIS 41 N 0.00 1.05 0.16 1.13 2.76 -0.47 -3.10 115.15 116.68 2gaq h HIS 41 Ca -0.00 -0.54 -0.23 0.00 -2.20 0.00 0.00 60.37 57.40 2gaq h HIS 41 Cb 0.60 -0.13 0.03 0.00 1.55 0.00 0.00 27.41 29.45 2gaq h HIS 41 CO 0.00 1.37 -1.00 0.00 -1.30 0.00 0.00 177.93 177.00 2gaq h ALA 42 N 0.46 -0.10 0.00 5.26 0.00 -1.08 -3.01 119.26 120.79 2gaq h ALA 42 Ca -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2gaq h ALA 42 Cb 1.61 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2gaq h ALA 42 CO 0.19 0.47 0.00 -1.33 0.00 0.00 0.00 179.25 178.58 2gaq n MET 43 N -4.01 0.15 -0.00 0.00 2.00 0.26 -0.92 117.12 114.61 2gaq n MET 43 Ca -0.14 0.16 0.07 0.00 0.00 0.00 0.00 57.70 57.78 2gaq n MET 43 Cb 0.90 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.52 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 -1.23 1.04 -0.08 0.03 3.85 -1.17 -4.70 117.12 114.87 2gaq n MET 44 Ca 0.05 -0.09 -0.12 0.00 -1.00 0.00 0.00 57.70 56.54 2gaq n MET 44 Cb 0.06 -1.26 -0.15 0.00 -1.05 0.00 0.00 33.22 30.82 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 -1.78 0.68 -0.43 3.17 0.00 -0.37 -4.32 120.64 117.59 2gaq n GLU 45 Ca -0.01 0.11 0.35 0.00 0.00 0.00 0.00 57.16 57.61 2gaq n GLU 45 Cb 0.31 -1.60 0.63 0.00 0.00 0.00 0.00 31.44 30.78 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 0.01 0.13 0.00 5.31 9.65 -1.31 -3.47 114.38 124.70 2gaq h ARG 46 Ca -0.49 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2gaq h ARG 46 Cb 2.12 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.67 2gaq h ARG 46 CO 0.02 0.09 0.00 0.41 2.80 0.00 0.00 179.97 183.29 2gaq n GLY 47 N -1.54 2.46 0.00 2.80 0.00 -1.26 -5.08 105.19 102.57 2gaq n GLY 47 Ca 0.35 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2gaq n GLY 47 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gaq n PRO 48 N 1.31 -1.10 0.12 1.61 -0.04 -1.26 -5.04 135.00 130.61 2gaq n PRO 48 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2gaq n PRO 48 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2gaq n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gaq n GLN 49 N -1.54 0.00 0.00 0.54 10.64 -1.26 -5.06 117.38 120.69 2gaq n GLN 49 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2gaq n GLN 49 Cb 0.00 -0.13 0.00 0.00 -0.86 0.00 0.00 30.24 29.25 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 -3.49 0.00 0.00 -0.39 5.66 -1.26 -5.03 114.28 109.77 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 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 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 0.00 0.00 1.09 0.00 -1.26 -5.01 117.00 111.82 2gaq n LEU 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2gaq n LEU 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2gaq n LEU 51 CO 0.00 0.00 -0.42 0.29 0.00 0.00 0.00 177.39 177.26 2gaq n LYS 52 N 0.00 0.33 -1.59 1.96 5.02 -1.26 -4.79 118.16 117.83 2gaq n LYS 52 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2gaq n LYS 52 Cb 0.00 -0.92 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 2gaq n LYS 52 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2gaq n GLU 53 N -2.28 3.57 -2.47 1.97 0.00 -1.26 -3.86 120.64 116.31 2gaq n GLU 53 Ca 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 57.16 54.56 2gaq n GLU 53 Cb 0.42 -2.93 0.10 0.00 0.00 0.00 0.00 31.44 29.04 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 3.76 0.03 -0.89 6.31 -1.04 -1.26 -4.60 114.28 116.59 2gaq n THR 54 Ca 0.66 -0.92 0.08 0.00 -2.04 0.00 0.00 64.05 61.84 2gaq n THR 54 Cb 0.29 0.95 0.16 0.00 -1.82 0.00 0.00 70.33 69.90 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 -1.35 2.74 0.02 8.00 7.64 -1.25 -4.13 113.62 125.29 2gaq n SER 55 Ca -0.19 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.79 2gaq n SER 55 Cb 0.86 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.00 -0.28 0.13 1.43 -1.74 -1.26 -4.39 117.46 110.33 2gaq n PHE 56 Ca 0.15 0.05 -0.02 0.00 -0.56 0.00 0.00 57.45 57.08 2gaq n PHE 56 Cb 0.65 0.29 0.13 0.00 1.52 0.00 0.00 39.48 42.07 2gaq n PHE 56 CO 0.00 0.00 0.00 -2.95 -0.56 0.00 0.00 176.76 173.25 2gaq h ASN 57 N 0.00 0.00 0.67 5.98 -1.07 -1.84 0.13 115.58 119.46 2gaq h ASN 57 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.14 2gaq h ASN 57 Cb 0.36 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.57 2gaq h ASN 57 CO 0.00 0.67 -1.46 -0.61 0.07 0.00 0.00 177.43 176.10 2gaq h GLN 58 N 0.00 0.00 0.03 4.14 -0.00 -1.87 -2.85 115.11 114.56 2gaq h GLN 58 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.39 2gaq h GLN 58 Cb 1.20 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.65 2gaq h GLN 58 CO 0.09 0.47 -1.32 0.00 0.00 0.00 0.00 178.83 178.07 2gaq h ALA 59 N 1.17 0.43 -1.52 3.38 0.00 -1.76 -3.42 119.26 117.55 2gaq h ALA 59 Ca -0.20 -1.10 -0.37 0.00 0.00 0.00 0.00 54.91 53.24 2gaq h ALA 59 Cb 1.80 0.12 -0.27 0.00 0.00 0.00 0.00 17.79 19.45 2gaq h ALA 59 CO 0.07 1.30 -0.75 0.66 0.00 0.00 0.00 179.25 180.54 2gaq n TYR 60 N -3.30 -2.30 0.30 0.00 4.01 0.03 -4.97 117.16 110.93 2gaq n TYR 60 Ca -0.09 -2.39 0.19 0.00 -0.16 0.00 0.00 57.90 55.46 2gaq n TYR 60 Cb 1.00 0.83 0.94 0.00 -0.31 0.00 0.00 39.34 41.79 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 5.01 0.00 0.44 2.72 0.00 -1.66 -2.01 103.07 107.57 2gaq h GLY 61 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2gaq h GLY 61 CO 0.23 0.00 -0.66 -0.96 0.00 0.00 0.00 176.54 175.16 2gaq n ARG 62 N -3.14 0.16 0.00 4.80 1.85 -1.26 -4.03 116.66 115.03 2gaq n ARG 62 Ca -0.01 -0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 2gaq n ARG 62 Cb 0.19 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 2gaq n ARG 62 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2gaq n ASP 63 N -1.32 0.00 -0.43 2.89 5.75 -0.76 -3.88 116.55 118.79 2gaq n ASP 63 Ca 0.06 0.00 0.36 0.00 -0.01 0.00 0.00 54.79 55.20 2gaq n ASP 63 Cb 0.34 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 41.02 2gaq n ASP 63 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gaq n LEU 64 N 0.00 0.15 -0.09 -2.12 -0.00 -1.26 -0.87 117.00 112.80 2gaq n LEU 64 Ca 0.00 1.11 -0.07 0.00 -0.00 0.00 0.00 56.01 57.04 2gaq n LEU 64 Cb 0.00 -0.54 -0.01 0.00 -0.00 0.00 0.00 43.42 42.87 2gaq n LEU 64 CO 0.00 -1.19 0.69 -0.03 -0.00 0.00 0.00 177.39 176.86 2gaq h MET 65 N 0.00 -0.20 0.06 1.47 4.05 -1.82 0.32 114.93 118.80 2gaq h MET 65 Ca 0.75 0.01 -0.26 0.00 -0.28 0.00 0.00 59.70 59.92 2gaq h MET 65 Cb 2.52 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 33.35 2gaq h MET 65 CO -0.32 -0.14 -1.30 0.93 0.23 0.00 0.00 176.91 176.31 2gaq h GLU 66 N -0.21 0.12 -0.16 0.39 5.08 -1.19 -0.51 114.58 118.10 2gaq h GLU 66 Ca 0.17 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2gaq h GLU 66 Cb 0.47 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2gaq h GLU 66 CO -0.45 1.00 0.20 0.00 -1.00 0.00 0.00 179.01 178.76 2gaq h ALA 67 N 0.78 1.71 0.00 3.43 0.00 0.18 -0.42 119.26 124.94 2gaq h ALA 67 Ca -0.14 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 2gaq h ALA 67 Cb 1.91 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 2gaq h ALA 67 CO 0.15 -0.28 -1.85 0.00 0.00 0.00 0.00 179.25 177.26 2gaq n GLN 68 N -3.67 1.75 0.30 0.00 10.64 0.10 -4.58 117.38 121.91 2gaq n GLN 68 Ca 0.01 -0.02 0.18 0.00 -1.83 0.00 0.00 57.00 55.34 2gaq n GLN 68 Cb 0.31 -1.33 0.95 0.00 -0.86 0.00 0.00 30.24 29.31 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 -2.05 2.61 4.81 0.64 -2.21 114.58 118.38 2gaq h GLU 69 Ca -0.31 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.85 2gaq h GLU 69 Cb 1.67 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.02 2gaq h GLU 69 CO 0.02 0.00 -0.12 0.91 -0.73 0.00 0.00 179.01 179.09 2gaq n TRP 70 N -3.18 0.00 -0.05 0.92 5.03 -1.02 -4.21 117.44 114.92 2gaq n TRP 70 Ca -0.01 -1.07 -0.05 0.00 3.03 0.00 0.00 57.50 59.40 2gaq n TRP 70 Cb 0.28 -0.90 -0.05 0.00 -1.03 0.00 0.00 31.31 29.61 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 0.03 0.00 -0.00 -1.89 0.45 114.38 111.98 2gaq h ARG 72 Ca -0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.74 2gaq h ARG 72 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.32 2gaq h ARG 72 CO 0.00 0.00 -1.28 -0.22 -0.00 0.00 0.00 179.97 178.47 2gaq h LYS 73 N 0.00 0.07 0.00 0.08 1.63 -1.85 -2.96 116.57 113.54 2gaq h LYS 73 Ca 0.21 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 2gaq h LYS 73 Cb 1.15 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2gaq h LYS 73 CO -0.00 1.06 -0.06 -0.92 -3.45 0.00 0.00 179.45 176.08 2gaq h TYR 74 N -0.75 0.00 0.16 1.91 5.03 0.69 0.42 116.97 124.43 2gaq h TYR 74 Ca -0.32 0.00 -0.31 0.00 2.58 0.00 0.00 58.73 60.67 2gaq h TYR 74 Cb 1.45 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.74 2gaq h TYR 74 CO 0.11 0.06 -1.50 0.52 -1.32 0.00 0.00 178.16 176.03 2gaq h MET 75 N 0.00 0.33 0.00 1.82 2.86 -0.27 -2.66 114.93 117.02 2gaq h MET 75 Ca -0.00 -0.56 -0.41 0.00 -2.06 0.00 0.00 59.70 56.67 2gaq h MET 75 Cb 0.25 0.21 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2gaq h MET 75 CO 0.01 1.22 -2.40 1.17 1.06 0.00 0.00 176.91 177.98 2gaq n LYS 76 N -3.54 0.55 0.00 1.72 4.81 -1.01 -4.46 118.16 116.24 2gaq n LYS 76 Ca -0.16 0.21 -0.11 0.00 -0.87 0.00 0.00 58.31 57.38 2gaq n LYS 76 Cb 1.06 -1.42 0.02 0.00 0.02 0.00 0.00 35.03 34.71 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 -0.67 0.67 -3.08 3.14 0.87 -0.38 -3.47 113.55 110.62 2gaq h SER 77 Ca -0.61 -0.38 -0.15 0.00 -1.23 0.00 0.00 61.79 59.41 2gaq h SER 77 Cb 1.63 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 2gaq h SER 77 CO -0.31 1.12 -0.17 0.61 -0.53 0.00 0.00 176.83 177.56 2gaq n GLY 78 N 0.38 0.05 3.66 5.77 0.00 -0.99 -4.89 105.19 109.18 2gaq n GLY 78 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.84 6.45 0.15 1.61 -0.87 -1.26 -4.93 114.94 114.25 2gaq s ASN 79 Ca 0.00 0.53 0.08 0.00 -1.57 0.00 0.00 52.86 51.90 2gaq s ASN 79 Cb 0.00 -2.24 0.42 0.00 -0.02 0.00 0.00 41.25 39.40 2gaq s ASN 79 CO 0.00 -0.12 1.15 0.52 -2.57 0.00 0.00 177.10 176.08 2gaq n VAL 80 N 4.48 1.20 0.09 1.60 0.31 -1.26 -1.22 118.33 123.53 2gaq n VAL 80 Ca -0.07 0.61 0.18 0.00 -0.01 0.00 0.00 64.34 65.05 2gaq n VAL 80 Cb 0.51 -1.61 0.72 0.00 -0.91 0.00 0.00 33.84 32.55 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 0.11 5.55 1.79 -1.98 0.78 116.57 122.81 2gaq h LYS 81 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 2gaq h LYS 81 Cb 0.28 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2gaq h LYS 81 CO 0.00 0.00 -0.87 0.22 -1.08 0.00 0.00 179.45 177.72 2gaq h ASP 82 N 0.00 0.58 -0.30 0.86 3.58 -1.58 -3.34 116.42 116.22 2gaq h ASP 82 Ca 0.18 -0.87 -0.17 0.00 0.42 0.00 0.00 57.03 56.58 2gaq h ASP 82 Cb 0.78 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2gaq h ASP 82 CO -0.00 1.40 -0.50 0.25 -2.88 0.00 0.00 179.24 177.52 2gaq h LEU 83 N -0.15 0.95 -2.05 2.28 7.12 -0.65 0.32 115.31 123.14 2gaq h LEU 83 Ca -0.14 -0.52 0.11 0.00 0.13 0.00 0.00 57.88 57.46 2gaq h LEU 83 Cb 1.63 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 41.47 2gaq h LEU 83 CO 0.17 1.29 0.37 0.00 -0.13 0.00 0.00 178.44 180.14 2gaq h THR 84 N 0.64 0.47 0.05 1.05 1.03 0.19 0.51 112.91 116.85 2gaq h THR 84 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 66.41 66.05 2gaq h THR 84 Cb 1.10 0.71 -0.05 0.00 -1.07 0.00 0.00 68.15 68.85 2gaq h THR 84 CO 0.11 0.00 -2.20 0.00 -0.01 0.00 0.00 175.52 173.42 2gaq n GLN 85 N -3.87 0.70 -0.33 0.00 3.00 -0.96 -3.87 117.38 112.05 2gaq n GLN 85 Ca 0.06 0.19 0.01 0.00 -0.01 0.00 0.00 57.00 57.25 2gaq n GLN 85 Cb 0.54 -1.62 0.18 0.00 0.00 0.00 0.00 30.24 29.34 2gaq n GLN 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2gaq h ALA 86 N 0.25 1.40 -0.90 -1.58 0.00 0.69 0.46 119.26 119.58 2gaq h ALA 86 Ca -0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2gaq h ALA 86 Cb 2.00 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 2gaq h ALA 86 CO 0.01 0.52 0.51 0.11 0.00 0.00 0.00 179.25 180.39 2gaq h TRP 87 N 1.19 1.21 -0.34 0.00 5.08 -0.21 0.53 115.95 123.41 2gaq h TRP 87 Ca 0.37 -0.02 -0.07 0.00 1.08 0.00 0.00 58.89 60.25 2gaq h TRP 87 Cb 0.00 -0.39 -0.01 0.00 -3.00 0.00 0.00 29.16 25.76 2gaq h TRP 87 CO -0.00 0.83 -0.08 0.22 -1.28 0.00 0.00 178.44 178.13 2gaq h ASP 88 N 1.25 0.66 -0.24 0.11 3.58 -1.27 0.19 116.42 120.69 2gaq h ASP 88 Ca 0.32 -0.36 -0.11 0.00 0.42 0.00 0.00 57.03 57.29 2gaq h ASP 88 Cb 0.00 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 2gaq h ASP 88 CO -0.05 0.87 -0.29 -0.07 -2.88 0.00 0.00 179.24 176.81 2gaq h LEU 89 N 0.44 0.68 -0.40 2.28 3.38 -0.09 0.71 115.31 122.31 2gaq h LEU 89 Ca 0.09 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.61 2gaq h LEU 89 Cb 0.58 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2gaq h LEU 89 CO 0.03 1.03 0.15 1.88 0.09 0.00 0.00 178.44 181.63 2gaq h TYR 90 N 0.34 0.27 0.01 1.13 0.05 0.15 0.15 116.97 119.08 2gaq h TYR 90 Ca 0.03 0.02 -0.19 0.00 0.05 0.00 0.00 58.73 58.64 2gaq h TYR 90 Cb 0.86 -0.06 0.02 0.00 1.01 0.00 0.00 36.73 38.56 2gaq h TYR 90 CO 0.08 0.11 -0.75 -0.92 -1.05 0.00 0.00 178.16 175.63 2gaq h TYR 91 N 0.32 0.73 -0.47 4.88 3.20 -0.46 0.37 116.97 125.54 2gaq h TYR 91 Ca 0.18 -0.41 0.03 0.00 3.14 0.00 0.00 58.73 61.68 2gaq h TYR 91 Cb 0.15 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 2gaq h TYR 91 CO -0.14 1.24 0.31 1.25 -1.64 0.00 0.00 178.16 179.18 2gaq h HIS 92 N 0.02 0.50 0.00 -3.82 2.76 0.54 -1.88 115.15 113.27 2gaq h HIS 92 Ca -0.10 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 57.89 2gaq h HIS 92 Cb 1.45 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 30.21 2gaq h HIS 92 CO 0.14 0.30 -1.52 1.55 -1.30 0.00 0.00 177.93 177.10 2gaq n VAL 93 N -4.48 1.25 0.04 5.26 3.14 0.53 -3.73 118.33 120.34 2gaq n VAL 93 Ca 0.05 -0.71 0.21 0.00 -2.96 0.00 0.00 64.34 60.92 2gaq n VAL 93 Cb 0.14 -0.77 0.59 0.00 -1.06 0.00 0.00 33.84 32.74 2gaq n VAL 93 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 2gaq h PHE 94 N 0.00 0.00 0.00 1.45 3.04 0.61 0.19 116.94 122.24 2gaq h PHE 94 Ca -0.20 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.65 2gaq h PHE 94 Cb 1.68 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.17 2gaq h PHE 94 CO 0.00 0.00 -1.74 2.89 -2.02 0.00 0.00 178.31 177.44 2gaq n ARG 95 N -3.33 1.04 0.04 1.11 1.85 -1.21 -4.34 116.66 111.82 2gaq n ARG 95 Ca 0.11 -0.08 -0.02 0.00 -1.00 0.00 0.00 57.85 56.86 2gaq n ARG 95 Cb 0.93 -1.33 -0.01 0.00 -1.05 0.00 0.00 32.46 31.00 2gaq n ARG 95 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2gaq h ARG 96 N 0.00 -0.12 0.00 2.89 2.47 -0.82 0.13 114.38 118.93 2gaq h ARG 96 Ca -0.15 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 2gaq h ARG 96 Cb 1.12 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2gaq h ARG 96 CO 0.01 -0.08 -0.04 -0.84 0.56 0.00 0.00 179.97 179.57 2gaq h ILE 97 N -0.31 0.29 0.05 2.04 -0.00 -1.22 -2.40 117.51 115.96 2gaq h ILE 97 Ca -0.01 -0.26 -0.00 0.00 -0.00 0.00 0.00 64.86 64.59 2gaq h ILE 97 Cb 0.10 1.19 0.00 0.00 -0.00 0.00 0.00 36.82 38.11 2gaq h ILE 97 CO 0.02 0.04 -0.02 0.28 -0.00 0.00 0.00 178.15 178.47 2gaq h SER 98 N 0.00 -0.05 -5.35 2.16 0.02 -1.66 -3.48 113.55 105.19 2gaq h SER 98 Ca -0.00 -0.61 -0.34 0.00 -0.84 0.00 0.00 61.79 60.00 2gaq h SER 98 Cb 0.19 0.01 0.14 0.00 0.14 0.00 0.00 62.40 62.88 2gaq h SER 98 CO 0.01 0.65 -0.65 0.29 -1.14 0.00 0.00 176.83 175.99 2gaq n LYS 99 N -4.77 -6.78 0.00 3.45 5.02 0.47 -5.05 118.16 110.49 2gaq n LYS 99 Ca -0.08 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2gaq n LYS 99 Cb 0.33 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 29.78 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82