#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 -1.39 0.03 -4.62 -0.00 -1.26 -4.88 117.00 104.88 2gaq n LEU 2 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 2gaq n LEU 2 Cb 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 42.45 2gaq n LEU 2 CO 0.00 0.07 0.00 2.30 -0.00 0.00 0.00 177.39 179.76 2gaq n ILE 3 N -0.58 0.00 0.00 1.47 -5.35 -1.26 -4.89 119.36 108.75 2gaq n ILE 3 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2gaq n ILE 3 Cb 0.42 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 2gaq n ILE 3 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2gaq n ARG 4 N -2.65 0.00 -0.15 6.28 5.12 -1.26 -4.81 116.66 119.19 2gaq n ARG 4 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 2gaq n ARG 4 Cb 0.00 -0.52 0.01 0.00 -1.16 0.00 0.00 32.46 30.79 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2gaq h VAL 5 N 0.00 1.27 -2.83 1.55 3.04 -1.97 -3.47 116.25 113.84 2gaq h VAL 5 Ca 0.00 -1.39 -0.39 0.00 -1.01 0.00 0.00 66.70 63.91 2gaq h VAL 5 Cb 0.70 1.14 -0.04 0.00 -2.01 0.00 0.00 31.29 31.08 2gaq h VAL 5 CO 0.00 0.48 -0.48 0.00 -1.01 0.00 0.00 177.57 176.56 2gaq n ALA 6 N -2.52 -0.59 0.00 3.17 0.00 -1.26 -3.48 120.51 115.83 2gaq n ALA 6 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2gaq n ALA 6 Cb 0.46 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 -3.65 0.00 -1.78 0.00 0.00 -1.26 -4.82 119.36 107.85 2gaq n ILE 7 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.52 2gaq n ILE 7 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.31 2gaq n ILE 7 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2gaq n LEU 8 N 0.00 -4.22 0.24 9.51 7.99 -1.23 -4.38 117.00 124.91 2gaq n LEU 8 Ca 0.00 2.89 0.12 0.00 -0.01 0.00 0.00 56.01 59.01 2gaq n LEU 8 Cb 0.00 -3.01 0.58 0.00 -0.11 0.00 0.00 43.42 40.88 2gaq n LEU 8 CO 0.00 -0.22 0.88 -0.50 -1.51 0.00 0.00 177.39 176.05 2gaq h TRP 9 N 2.50 0.00 -0.44 -1.77 6.55 -1.91 -2.50 115.95 118.39 2gaq h TRP 9 Ca 0.00 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.78 2gaq h TRP 9 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.28 2gaq h TRP 9 CO 0.00 0.16 0.01 1.25 -1.05 0.00 0.00 178.44 178.81 2gaq h HIS 10 N 0.00 0.74 0.29 0.49 -0.00 -1.92 0.17 115.15 114.92 2gaq h HIS 10 Ca -0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.26 2gaq h HIS 10 Cb 0.58 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 2gaq h HIS 10 CO 0.00 0.69 -0.14 0.93 -0.00 0.00 0.00 177.93 179.41 2gaq h GLU 11 N 0.66 -0.38 0.00 5.26 4.39 -1.65 -2.18 114.58 120.69 2gaq h GLU 11 Ca 0.13 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2gaq h GLU 11 Cb 0.40 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2gaq h GLU 11 CO 0.01 -0.06 -0.07 0.00 -1.16 0.00 0.00 179.01 177.73 2gaq h MET 12 N -0.72 0.00 -0.80 2.33 -0.00 -1.58 -2.87 114.93 111.29 2gaq h MET 12 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2gaq h MET 12 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.05 2gaq h MET 12 CO 0.07 0.07 0.44 -1.49 -0.00 0.00 0.00 176.91 175.99 2gaq h TRP 13 N 0.00 1.09 0.36 -0.10 -0.00 -0.32 0.64 115.95 117.62 2gaq h TRP 13 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.85 2gaq h TRP 13 Cb 0.37 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 29.17 2gaq h TRP 13 CO 0.00 0.76 -0.27 1.25 -0.00 0.00 0.00 178.44 180.18 2gaq h HIS 14 N 1.12 -0.72 -0.45 0.49 2.76 -1.24 0.39 115.15 117.49 2gaq h HIS 14 Ca 0.28 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.36 2gaq h HIS 14 Cb 0.03 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 2gaq h HIS 14 CO 0.01 -0.38 -0.08 0.93 -1.30 0.00 0.00 177.93 177.11 2gaq h GLU 15 N -0.60 0.86 -0.44 5.26 4.39 -1.67 0.11 114.58 122.49 2gaq h GLU 15 Ca -0.05 -0.32 0.06 0.00 0.34 0.00 0.00 59.36 59.40 2gaq h GLU 15 Cb 0.49 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2gaq h GLU 15 CO 0.02 0.95 0.30 0.78 -1.16 0.00 0.00 179.01 179.89 2gaq h GLY 16 N 0.69 0.43 1.87 -3.84 0.00 0.39 0.61 103.07 103.23 2gaq h GLY 16 Ca 0.12 -0.14 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 2gaq h GLY 16 CO 0.04 0.11 -0.96 1.41 0.00 0.00 0.00 176.54 177.14 2gaq h LEU 17 N 0.35 0.00 0.30 3.11 3.38 0.28 -3.09 115.31 119.63 2gaq h LEU 17 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2gaq h LEU 17 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2gaq h LEU 17 CO -0.04 0.86 -0.15 -0.08 0.09 0.00 0.00 178.44 179.12 2gaq h GLU 18 N 0.00 -0.39 -0.37 1.13 4.57 0.12 0.73 114.58 120.37 2gaq h GLU 18 Ca -0.04 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2gaq h GLU 18 Cb 1.69 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 30.35 2gaq h GLU 18 CO 0.11 -0.11 0.34 1.49 -1.18 0.00 0.00 179.01 179.66 2gaq h GLU 19 N -1.01 0.00 0.00 1.92 4.57 -0.03 0.63 114.58 120.66 2gaq h GLU 19 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2gaq h GLU 19 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2gaq h GLU 19 CO 0.07 0.00 -0.22 0.00 -1.18 0.00 0.00 179.01 177.68 2gaq h ALA 20 N 1.66 0.00 -0.06 2.92 0.00 -1.44 -1.79 119.26 120.56 2gaq h ALA 20 Ca 0.17 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2gaq h ALA 20 Cb 0.86 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2gaq h ALA 20 CO -0.00 0.22 0.06 0.77 0.00 0.00 0.00 179.25 180.29 2gaq h SER 21 N -0.92 0.00 0.72 0.00 0.02 0.95 0.67 113.55 114.99 2gaq h SER 21 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 2gaq h SER 21 Cb 0.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2gaq h SER 21 CO 0.00 0.00 -1.28 -0.09 -1.14 0.00 0.00 176.83 174.32 2gaq h ARG 22 N 0.00 0.11 -0.24 3.45 2.43 0.10 0.51 114.38 120.75 2gaq h ARG 22 Ca 0.03 -0.19 0.07 0.00 -0.81 0.00 0.00 59.98 59.07 2gaq h ARG 22 Cb 0.14 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2gaq h ARG 22 CO -0.00 1.00 0.17 -0.07 -1.51 0.00 0.00 179.97 179.56 2gaq h LEU 23 N 0.03 0.00 0.00 3.80 3.38 0.05 0.22 115.31 122.79 2gaq h LEU 23 Ca -0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2gaq h LEU 23 Cb 1.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 2gaq h LEU 23 CO 0.14 0.00 -1.10 0.00 0.09 0.00 0.00 178.44 177.57 2gaq n TYR 24 N -4.44 0.29 0.61 1.13 9.36 -0.98 0.17 117.16 123.29 2gaq n TYR 24 Ca 0.03 0.12 0.07 0.00 3.32 0.00 0.00 57.90 61.44 2gaq n TYR 24 Cb 0.32 -0.67 0.33 0.00 -0.63 0.00 0.00 39.34 38.70 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 -4.47 0.00 -0.00 2.98 -0.00 0.18 -0.01 117.46 116.14 2gaq n PHE 25 Ca -0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.26 2gaq n PHE 25 Cb 0.52 -0.34 -0.00 0.00 -0.00 0.00 0.00 39.48 39.66 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 -0.11 -0.00 0.00 7.13 0.00 0.68 -4.88 105.19 108.01 2gaq n GLY 26 Ca 0.06 -0.00 0.00 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 -2.46 -0.07 -2.75 1.61 -0.58 -0.73 -5.00 120.64 110.67 2gaq n GLU 27 Ca -0.00 -0.70 -0.09 0.00 -0.42 0.00 0.00 57.16 55.95 2gaq n GLU 27 Cb 0.50 -0.97 -0.01 0.00 -0.57 0.00 0.00 31.44 30.39 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 -0.11 -2.66 -3.43 3.49 1.74 0.98 -4.83 116.66 111.85 2gaq n ARG 28 Ca 0.00 0.21 -0.39 0.00 -0.77 0.00 0.00 57.85 56.89 2gaq n ARG 28 Cb 0.07 -4.76 -0.03 0.00 -1.02 0.00 0.00 32.46 26.72 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 -1.74 4.94 -0.29 0.55 4.05 0.13 -4.79 115.26 118.10 2gaq n ASN 29 Ca -0.03 -3.17 0.03 0.00 0.45 0.00 0.00 54.58 51.86 2gaq n ASN 29 Cb 0.53 -1.16 0.23 0.00 1.23 0.00 0.00 39.78 40.61 2gaq n ASN 29 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 2gaq h VAL 30 N 3.75 1.11 -0.86 3.44 2.07 -1.89 0.30 116.25 124.17 2gaq h VAL 30 Ca 0.18 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.41 2gaq h VAL 30 Cb 0.79 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 2gaq h VAL 30 CO 0.98 0.19 0.56 0.50 0.02 0.00 0.00 177.57 179.83 2gaq h LYS 31 N 1.06 0.90 0.24 1.57 3.11 -1.95 -0.97 116.57 120.52 2gaq h LYS 31 Ca 0.36 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.13 2gaq h LYS 31 Cb 0.09 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.12 2gaq h LYS 31 CO -0.12 0.59 -0.11 0.78 -2.81 0.00 0.00 179.45 177.78 2gaq h GLY 32 N 0.92 -0.34 0.18 5.01 0.00 -1.34 -3.13 103.07 104.38 2gaq h GLY 32 Ca 0.38 0.12 0.24 0.00 0.00 0.00 0.00 47.33 48.07 2gaq h GLY 32 CO -0.15 -0.12 0.63 0.00 0.00 0.00 0.00 176.54 176.90 2gaq h MET 33 N -0.80 0.24 0.00 4.80 -0.00 -0.97 0.13 114.93 118.33 2gaq h MET 33 Ca -0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 2gaq h MET 33 Cb 0.51 -0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 32.06 2gaq h MET 33 CO 0.05 0.16 -0.05 0.35 -0.00 0.00 0.00 176.91 177.42 2gaq h PHE 34 N 0.24 0.00 0.00 -0.10 3.04 -1.13 0.70 116.94 119.70 2gaq h PHE 34 Ca 0.48 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 62.13 2gaq h PHE 34 Cb 1.45 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.91 2gaq h PHE 34 CO -0.00 0.05 -1.75 -1.91 -2.02 0.00 0.00 178.31 172.68 2gaq n GLU 35 N -3.24 0.64 0.06 1.11 0.00 0.44 -1.64 120.64 118.01 2gaq n GLU 35 Ca -0.01 0.28 -0.02 0.00 0.00 0.00 0.00 57.16 57.42 2gaq n GLU 35 Cb 0.25 -1.78 -0.07 0.00 0.00 0.00 0.00 31.44 29.84 2gaq n GLU 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2gaq h VAL 36 N 0.00 0.87 0.00 6.31 3.04 -1.29 -3.32 116.25 121.86 2gaq h VAL 36 Ca -0.30 -2.43 -0.12 0.00 -1.01 0.00 0.00 66.70 62.85 2gaq h VAL 36 Cb 2.03 2.35 -0.02 0.00 -2.01 0.00 0.00 31.29 33.63 2gaq h VAL 36 CO 0.08 0.50 -0.85 0.25 -1.01 0.00 0.00 177.57 176.54 2gaq h LEU 37 N 0.00 0.00 -0.41 3.16 7.12 -1.01 -3.24 115.31 120.93 2gaq h LEU 37 Ca -0.11 0.00 0.09 0.00 0.13 0.00 0.00 57.88 57.98 2gaq h LEU 37 Cb 1.64 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.68 2gaq h LEU 37 CO 0.07 0.47 -0.23 -0.33 -0.13 0.00 0.00 178.44 178.29 2gaq h GLU 38 N 0.00 -0.16 -0.10 1.25 5.08 -1.41 0.17 114.58 119.43 2gaq h GLU 38 Ca -0.06 0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 2gaq h GLU 38 Cb 1.41 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2gaq h GLU 38 CO 0.05 -0.10 -0.65 -1.00 -1.00 0.00 0.00 179.01 176.30 2gaq h PRO 39 N -0.16 0.38 0.00 2.33 0.13 -1.73 -2.45 132.00 130.50 2gaq h PRO 39 Ca 0.20 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2gaq h PRO 39 Cb 0.47 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 2gaq h PRO 39 CO -0.51 0.90 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.07 2gaq h LEU 40 N 0.27 0.00 0.07 1.56 3.38 -1.33 0.48 115.31 119.74 2gaq h LEU 40 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2gaq h LEU 40 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2gaq h LEU 40 CO 0.11 0.03 -0.66 -0.74 0.09 0.00 0.00 178.44 177.27 2gaq h HIS 41 N 0.00 0.25 -0.60 1.13 6.17 -0.53 -3.30 115.15 118.27 2gaq h HIS 41 Ca -0.00 -0.18 -0.07 0.00 0.71 0.00 0.00 60.37 60.83 2gaq h HIS 41 Cb 0.21 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.10 2gaq h HIS 41 CO 0.00 1.26 0.09 0.00 0.71 0.00 0.00 177.93 179.99 2gaq h ALA 42 N -0.04 1.04 0.00 5.26 0.00 -0.81 -0.16 119.26 124.54 2gaq h ALA 42 Ca -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2gaq h ALA 42 Cb 1.38 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2gaq h ALA 42 CO 0.03 0.62 0.00 -1.33 0.00 0.00 0.00 179.25 178.57 2gaq n MET 43 N -4.23 0.11 -0.09 0.00 2.00 0.16 -1.66 117.12 113.41 2gaq n MET 43 Ca 0.04 0.23 -0.09 0.00 0.00 0.00 0.00 57.70 57.87 2gaq n MET 43 Cb 0.28 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 31.87 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 -1.33 1.16 0.05 0.03 0.00 -0.17 -4.66 117.12 112.19 2gaq n MET 44 Ca 0.04 0.02 -0.14 0.00 0.00 0.00 0.00 57.70 57.62 2gaq n MET 44 Cb 0.08 -1.42 -0.03 0.00 0.00 0.00 0.00 33.22 31.85 2gaq n MET 44 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2gaq h GLU 45 N 0.00 0.50 -1.20 2.12 4.22 -0.34 -3.24 114.58 116.63 2gaq h GLU 45 Ca -0.45 -0.47 0.37 0.00 0.08 0.00 0.00 59.36 58.89 2gaq h GLU 45 Cb 1.96 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 31.21 2gaq h GLU 45 CO 0.01 1.11 0.77 -0.09 -2.18 0.00 0.00 179.01 178.63 2gaq h ARG 46 N 0.31 0.19 0.00 1.92 9.65 -1.64 -3.47 114.38 121.34 2gaq h ARG 46 Ca -0.07 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2gaq h ARG 46 Cb 1.48 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 2gaq h ARG 46 CO 0.16 0.13 0.00 0.41 2.80 0.00 0.00 179.97 183.46 2gaq n GLY 47 N -1.49 2.79 3.77 2.80 0.00 -1.22 -5.03 105.19 106.79 2gaq n GLY 47 Ca 0.33 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 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 -4.01 4.13 0.00 1.61 0.04 -1.26 -5.01 135.00 130.49 2gaq s PRO 48 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2gaq s PRO 48 Cb 0.00 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2gaq s PRO 48 CO 0.00 -0.32 0.00 0.94 0.04 0.00 0.00 177.00 177.66 2gaq n GLN 49 N 0.34 0.00 0.00 4.56 -0.06 -1.26 -4.99 117.38 115.97 2gaq n GLN 49 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 2gaq n GLN 49 Cb 0.44 -0.02 0.00 0.00 -4.06 0.00 0.00 30.24 26.60 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 -0.17 0.00 0.00 1.69 5.66 -1.26 -4.98 114.28 115.21 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 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 67.91 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 -0.02 1.09 0.00 -1.26 -5.03 117.00 111.78 2gaq n LEU 51 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.98 2gaq n LEU 51 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 2gaq n LEU 51 CO 0.00 0.00 -0.62 0.29 0.00 0.00 0.00 177.39 177.06 2gaq n LYS 52 N 0.00 0.09 -1.05 1.96 5.02 -1.26 -4.80 118.16 118.12 2gaq n LYS 52 Ca 0.00 0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 2gaq n LYS 52 Cb 0.00 -0.95 -0.08 0.00 -0.02 0.00 0.00 35.03 33.98 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 2.64 -2.73 1.97 0.00 -1.26 -4.09 120.64 114.41 2gaq n GLU 53 Ca -0.07 -1.53 -0.02 0.00 0.00 0.00 0.00 57.16 55.54 2gaq n GLU 53 Cb 0.56 -2.38 0.09 0.00 0.00 0.00 0.00 31.44 29.72 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2gaq n THR 54 N 3.23 0.50 -0.02 3.84 -1.04 -1.26 -4.74 114.28 114.79 2gaq n THR 54 Ca 0.56 -1.85 -0.21 0.00 -2.04 0.00 0.00 64.05 60.51 2gaq n THR 54 Cb 0.47 1.08 -0.14 0.00 -1.82 0.00 0.00 70.33 69.93 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 -1.03 2.09 -0.04 8.00 7.64 -1.26 -3.60 113.62 125.43 2gaq n SER 55 Ca -0.06 0.16 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 2gaq n SER 55 Cb 0.85 -0.80 -0.11 0.00 -1.01 0.00 0.00 64.21 63.14 2gaq n SER 55 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2gaq h PHE 56 N 0.01 -0.01 0.00 1.43 -0.00 -1.91 -3.08 116.94 113.37 2gaq h PHE 56 Ca -0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 2gaq h PHE 56 Cb 1.98 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.94 2gaq h PHE 56 CO 0.07 0.73 0.00 -0.97 -0.00 0.00 0.00 178.31 178.14 2gaq h ASN 57 N -0.79 0.00 -0.07 -0.68 -1.24 -1.79 0.56 115.58 111.57 2gaq h ASN 57 Ca -0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 2gaq h ASN 57 Cb 0.75 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.81 2gaq h ASN 57 CO 0.00 0.00 -0.33 -0.61 -1.29 0.00 0.00 177.43 175.20 2gaq h GLN 58 N 0.00 0.35 0.00 6.67 -0.00 -1.59 -3.38 115.11 117.16 2gaq h GLN 58 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 2gaq h GLN 58 Cb 0.05 0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.58 2gaq h GLN 58 CO 0.00 0.92 -0.70 0.00 0.00 0.00 0.00 178.83 179.05 2gaq n ALA 59 N -2.51 3.00 -0.78 3.38 0.00 -0.65 -4.75 120.51 118.20 2gaq n ALA 59 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 2gaq n ALA 59 Cb 0.51 0.40 -0.06 0.00 0.00 0.00 0.00 19.45 20.30 2gaq n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gaq n TYR 60 N -3.08 0.25 0.20 0.00 4.01 0.19 -4.52 117.16 114.21 2gaq n TYR 60 Ca 0.00 -1.34 0.12 0.00 -0.16 0.00 0.00 57.90 56.53 2gaq n TYR 60 Cb 0.35 -1.00 0.67 0.00 -0.31 0.00 0.00 39.34 39.05 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 3.74 0.00 -1.06 2.72 0.00 -1.57 -0.60 103.07 106.30 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 0.21 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.29 2gaq n ARG 62 N -2.39 2.86 0.00 4.80 1.74 -1.26 -4.42 116.66 117.99 2gaq n ARG 62 Ca -0.02 -2.06 0.00 0.00 -0.77 0.00 0.00 57.85 55.00 2gaq n ARG 62 Cb 0.10 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 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 0.17 0.00 -0.38 0.55 2.03 -0.23 -3.62 116.55 115.07 2gaq n ASP 63 Ca 0.11 0.00 0.33 0.00 0.52 0.00 0.00 54.79 55.75 2gaq n ASP 63 Cb 0.46 0.00 0.66 0.00 -0.72 0.00 0.00 41.12 41.52 2gaq n ASP 63 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2gaq h LEU 64 N 0.00 0.19 -0.34 -2.67 -0.00 -1.87 0.23 115.31 110.85 2gaq h LEU 64 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 57.88 57.97 2gaq h LEU 64 Cb 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 40.63 2gaq h LEU 64 CO 0.00 -0.01 -0.37 -0.03 -0.00 0.00 0.00 178.44 178.03 2gaq h MET 65 N 0.15 -0.21 0.00 0.17 4.05 -1.86 0.16 114.93 117.40 2gaq h MET 65 Ca 0.66 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 60.02 2gaq h MET 65 Cb 2.21 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 33.05 2gaq h MET 65 CO -0.18 -0.14 -0.50 1.49 0.23 0.00 0.00 176.91 177.82 2gaq h GLU 66 N -0.21 0.00 0.00 0.39 4.57 -1.05 0.57 114.58 118.84 2gaq h GLU 66 Ca 0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2gaq h GLU 66 Cb 0.37 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2gaq h GLU 66 CO -0.43 0.28 -0.03 0.00 -1.18 0.00 0.00 179.01 177.65 2gaq h ALA 67 N 1.69 1.06 0.00 2.92 0.00 0.04 0.13 119.26 125.09 2gaq h ALA 67 Ca -0.02 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 2gaq h ALA 67 Cb 1.26 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2gaq h ALA 67 CO 0.04 0.04 -1.90 0.94 0.00 0.00 0.00 179.25 178.37 2gaq n GLN 68 N -3.21 0.91 0.00 0.00 -0.06 0.51 -4.56 117.38 110.98 2gaq n GLN 68 Ca -0.01 0.06 0.04 0.00 -2.00 0.00 0.00 57.00 55.09 2gaq n GLN 68 Cb 0.21 -1.32 0.20 0.00 -4.06 0.00 0.00 30.24 25.27 2gaq n GLN 68 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2gaq n GLU 69 N -2.80 0.06 0.00 3.69 2.13 0.18 -2.10 120.64 121.80 2gaq n GLU 69 Ca -0.26 0.28 0.01 0.00 0.66 0.00 0.00 57.16 57.85 2gaq n GLU 69 Cb 0.84 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 31.10 2gaq n GLU 69 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2gaq n TRP 70 N -1.39 0.00 -0.34 4.31 4.27 0.44 -3.15 117.44 121.58 2gaq n TRP 70 Ca 0.03 0.00 0.27 0.00 -3.89 0.00 0.00 57.50 53.91 2gaq n TRP 70 Cb 0.08 -0.29 0.52 0.00 -1.36 0.00 0.00 31.31 30.27 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 0.24 0.65 0.10 0.00 2.43 -1.86 0.65 114.38 116.58 2gaq h ARG 72 Ca 0.76 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.74 2gaq h ARG 72 Cb 1.89 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 31.30 2gaq h ARG 72 CO -0.61 0.43 -0.73 0.87 -1.51 0.00 0.00 179.97 178.42 2gaq h LYS 73 N 0.67 0.20 0.00 0.20 1.57 -0.54 -2.89 116.57 115.78 2gaq h LYS 73 Ca 0.36 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2gaq h LYS 73 Cb 0.34 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2gaq h LYS 73 CO -0.25 1.17 0.00 -0.92 -0.57 0.00 0.00 179.45 178.88 2gaq h TYR 74 N -0.55 0.00 0.00 -1.35 3.20 0.15 0.62 116.97 119.04 2gaq h TYR 74 Ca -0.14 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 2gaq h TYR 74 Cb 1.49 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 2gaq h TYR 74 CO 0.20 0.00 -0.39 0.52 -1.64 0.00 0.00 178.16 176.85 2gaq h MET 75 N 0.00 0.00 0.08 1.82 2.86 0.25 -3.15 114.93 116.79 2gaq h MET 75 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 2gaq h MET 75 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2gaq h MET 75 CO 0.00 0.14 -0.85 0.87 1.06 0.00 0.00 176.91 178.14 2gaq h LYS 76 N -1.00 0.18 -0.20 1.72 1.57 -1.26 -3.35 116.57 114.23 2gaq h LYS 76 Ca -0.03 -0.31 -0.20 0.00 -1.87 0.00 0.00 60.65 58.24 2gaq h LYS 76 Cb 0.44 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2gaq h LYS 76 CO -0.02 1.15 -0.66 1.03 -0.57 0.00 0.00 179.45 180.37 2gaq h SER 77 N -0.57 0.86 -6.05 0.86 0.87 -0.02 -3.47 113.55 106.03 2gaq h SER 77 Ca -0.18 -0.51 -0.38 0.00 -1.23 0.00 0.00 61.79 59.49 2gaq h SER 77 Cb 1.49 -0.25 -0.24 0.00 -0.44 0.00 0.00 62.40 62.96 2gaq h SER 77 CO 0.05 1.29 -0.55 0.61 -0.53 0.00 0.00 176.83 177.70 2gaq n GLY 78 N 0.51 -0.38 3.23 5.77 0.00 -0.68 -4.88 105.19 108.75 2gaq n GLY 78 Ca -0.05 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.61 2.46 0.02 1.61 3.84 -1.26 -5.00 114.94 114.00 2gaq s ASN 79 Ca 0.51 -0.39 0.01 0.00 0.21 0.00 0.00 52.86 53.21 2gaq s ASN 79 Cb -0.30 -0.27 0.08 0.00 -0.55 0.00 0.00 41.25 40.21 2gaq s ASN 79 CO 0.63 0.25 0.98 0.52 -2.79 0.00 0.00 177.10 176.69 2gaq n VAL 80 N 2.52 1.69 0.18 -5.21 0.31 -1.26 -2.04 118.33 114.52 2gaq n VAL 80 Ca -0.15 0.52 0.18 0.00 -0.01 0.00 0.00 64.34 64.88 2gaq n VAL 80 Cb 0.53 -1.52 0.80 0.00 -0.91 0.00 0.00 33.84 32.74 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 0.01 5.55 1.79 -1.96 0.50 116.57 122.46 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 0.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 2gaq h LYS 81 CO 0.00 0.00 -1.16 -0.44 -1.08 0.00 0.00 179.45 176.77 2gaq h ASP 82 N 0.00 0.02 -0.72 0.86 3.32 -1.84 -3.39 116.42 114.67 2gaq h ASP 82 Ca 0.12 -0.58 0.14 0.00 0.02 0.00 0.00 57.03 56.73 2gaq h ASP 82 Cb 0.80 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.25 2gaq h ASP 82 CO -0.00 1.45 0.23 -0.07 -1.72 0.00 0.00 179.24 179.13 2gaq h LEU 83 N -0.96 0.15 -1.91 1.55 -0.00 -0.86 0.23 115.31 113.51 2gaq h LEU 83 Ca -0.32 0.12 0.10 0.00 -0.00 0.00 0.00 57.88 57.78 2gaq h LEU 83 Cb 1.30 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 42.08 2gaq h LEU 83 CO -0.18 0.04 0.46 0.00 -0.00 0.00 0.00 178.44 178.76 2gaq h THR 84 N 0.35 0.27 0.01 0.22 1.03 -0.38 0.60 112.91 115.01 2gaq h THR 84 Ca 0.40 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 66.44 2gaq h THR 84 Cb 0.63 0.61 -0.06 0.00 -1.07 0.00 0.00 68.15 68.26 2gaq h THR 84 CO -0.44 0.00 -2.26 0.00 -0.01 0.00 0.00 175.52 172.81 2gaq n GLN 85 N -3.49 0.68 -0.09 0.00 1.13 0.62 -4.06 117.38 112.16 2gaq n GLN 85 Ca 0.06 0.10 -0.03 0.00 -1.94 0.00 0.00 57.00 55.18 2gaq n GLN 85 Cb 0.61 -1.58 0.19 0.00 0.11 0.00 0.00 30.24 29.57 2gaq n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2gaq h ALA 86 N 0.73 1.18 -0.44 -1.58 0.00 0.10 0.59 119.26 119.85 2gaq h ALA 86 Ca -0.50 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.27 2gaq h ALA 86 Cb 2.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2gaq h ALA 86 CO 0.02 0.54 0.31 -1.49 0.00 0.00 0.00 179.25 178.62 2gaq h TRP 87 N 0.71 0.17 0.01 0.00 -0.00 -1.40 0.57 115.95 116.01 2gaq h TRP 87 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 58.89 58.80 2gaq h TRP 87 Cb 0.39 -0.06 0.02 0.00 -0.00 0.00 0.00 29.16 29.51 2gaq h TRP 87 CO 0.02 0.08 -0.93 0.22 -0.00 0.00 0.00 178.44 177.83 2gaq h ASP 88 N 0.16 0.80 -0.15 -3.49 3.58 -1.13 0.80 116.42 117.00 2gaq h ASP 88 Ca 0.21 -0.75 -0.03 0.00 0.42 0.00 0.00 57.03 56.87 2gaq h ASP 88 Cb 0.60 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 2gaq h ASP 88 CO -0.03 1.45 -0.03 -0.07 -2.88 0.00 0.00 179.24 177.69 2gaq h LEU 89 N 0.23 0.28 -0.48 2.28 3.38 0.83 0.67 115.31 122.52 2gaq h LEU 89 Ca -0.12 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2gaq h LEU 89 Cb 1.60 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 2gaq h LEU 89 CO 0.18 0.57 0.30 1.88 0.09 0.00 0.00 178.44 181.46 2gaq h TYR 90 N -0.00 0.62 -0.14 1.13 0.05 0.01 0.04 116.97 118.67 2gaq h TYR 90 Ca 0.04 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 2gaq h TYR 90 Cb 0.44 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2gaq h TYR 90 CO 0.05 0.42 -0.42 -0.92 -1.05 0.00 0.00 178.16 176.23 2gaq h TYR 91 N 0.64 0.69 -0.89 4.88 3.20 -0.73 0.39 116.97 125.16 2gaq h TYR 91 Ca 0.17 -0.28 0.05 0.00 3.14 0.00 0.00 58.73 61.81 2gaq h TYR 91 Cb -0.03 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 2gaq h TYR 91 CO -0.03 1.03 0.57 1.25 -1.64 0.00 0.00 178.16 179.33 2gaq h HIS 92 N 0.16 1.06 0.16 -3.82 2.76 0.48 -2.29 115.15 113.66 2gaq h HIS 92 Ca -0.01 0.03 -0.31 0.00 -2.20 0.00 0.00 60.37 57.87 2gaq h HIS 92 Cb 1.04 -0.35 0.01 0.00 1.55 0.00 0.00 27.41 29.66 2gaq h HIS 92 CO 0.10 0.58 -1.49 -0.24 -1.30 0.00 0.00 177.93 175.58 2gaq h VAL 93 N 1.07 1.23 -1.67 5.26 3.04 -1.00 -2.92 116.25 121.26 2gaq h VAL 93 Ca 0.37 -2.79 0.52 0.00 -1.01 0.00 0.00 66.70 63.79 2gaq h VAL 93 Cb 0.07 2.87 -0.11 0.00 -2.01 0.00 0.00 31.29 32.11 2gaq h VAL 93 CO -0.14 0.84 1.15 0.15 -1.01 0.00 0.00 177.57 178.56 2gaq h PHE 94 N 0.09 0.25 0.09 3.17 3.04 0.38 0.42 116.94 124.39 2gaq h PHE 94 Ca -0.24 0.01 -0.36 0.00 3.98 0.00 0.00 57.97 61.36 2gaq h PHE 94 Cb 2.06 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 40.48 2gaq h PHE 94 CO 0.08 -0.14 -2.07 0.54 -2.02 0.00 0.00 178.31 174.71 2gaq n ARG 95 N -4.33 0.73 0.13 1.11 5.12 -1.11 -3.88 116.66 114.42 2gaq n ARG 95 Ca 0.42 0.24 -0.05 0.00 -1.93 0.00 0.00 57.85 56.53 2gaq n ARG 95 Cb 1.78 -1.68 -0.02 0.00 -1.16 0.00 0.00 32.46 31.38 2gaq n ARG 95 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2gaq h ARG 96 N 0.05 -0.32 0.00 5.56 2.47 -0.41 0.08 114.38 121.81 2gaq h ARG 96 Ca -0.44 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2gaq h ARG 96 Cb 2.01 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 30.41 2gaq h ARG 96 CO 0.06 -0.22 0.00 0.44 0.56 0.00 0.00 179.97 180.81 2gaq n ILE 97 N -2.97 1.02 0.09 2.04 -5.35 0.11 -2.00 119.36 112.31 2gaq n ILE 97 Ca -0.04 0.47 -0.10 0.00 -0.27 0.00 0.00 62.75 62.80 2gaq n ILE 97 Cb 0.13 -1.42 -0.07 0.00 -1.74 0.00 0.00 39.64 36.55 2gaq n ILE 97 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2gaq h SER 98 N 0.00 -0.26 -5.83 7.28 0.87 -1.57 -3.47 113.55 110.58 2gaq h SER 98 Ca 0.00 -0.25 -0.40 0.00 -1.23 0.00 0.00 61.79 59.92 2gaq h SER 98 Cb 0.18 0.07 0.14 0.00 -0.44 0.00 0.00 62.40 62.34 2gaq h SER 98 CO 0.00 0.26 -0.68 0.29 -0.53 0.00 0.00 176.83 176.17 2gaq n LYS 99 N -4.98 -7.97 0.00 2.24 4.76 0.00 -5.06 118.16 107.15 2gaq n LYS 99 Ca -0.07 0.83 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 2gaq n LYS 99 Cb 0.25 -5.87 0.00 0.00 -1.84 0.00 0.00 35.03 27.56 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97