#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdx n GLY 2 N 0.00 3.90 0.08 3.03 0.00 -1.26 -1.94 105.19 109.01 2gdx n GLY 2 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 2gdx n GLY 2 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gdx n VAL 3 N 0.00 1.06 0.00 1.61 0.31 -1.26 -5.06 118.33 114.99 2gdx n VAL 3 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 2gdx n VAL 3 Cb 0.00 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 2gdx n VAL 3 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2gdx n THR 4 N -2.59 0.00 -1.01 2.52 -1.04 -0.82 -4.99 114.28 106.35 2gdx n THR 4 Ca -0.26 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2gdx n THR 4 Cb 1.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.46 2gdx n THR 4 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2gdx n GLU 5 N 13.98 -2.27 -3.57 -2.82 4.07 -1.26 -5.05 120.64 123.71 2gdx n GLU 5 Ca 0.00 1.78 -0.14 0.00 -0.06 0.00 0.00 57.16 58.74 2gdx n GLU 5 Cb 0.00 -2.67 -0.06 0.00 -0.06 0.00 0.00 31.44 28.64 2gdx n GLU 5 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2gdx s ALA 6 N -3.38 -1.85 -0.22 4.31 0.00 -0.02 -4.91 121.76 115.68 2gdx s ALA 6 Ca 0.00 1.61 0.12 0.00 0.00 0.00 0.00 51.96 53.69 2gdx s ALA 6 Cb 0.00 -0.64 0.44 0.00 0.00 0.00 0.00 23.12 22.92 2gdx s ALA 6 CO 0.00 -0.33 1.20 1.04 0.00 0.00 0.00 175.76 177.67 2gdx n GLN 7 N 1.38 2.13 -0.19 0.00 3.00 -1.26 -4.12 117.38 118.32 2gdx n GLN 7 Ca -0.15 -3.49 0.07 0.00 -0.01 0.00 0.00 57.00 53.43 2gdx n GLN 7 Cb 0.57 -1.70 0.16 0.00 0.00 0.00 0.00 30.24 29.26 2gdx n GLN 7 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2gdx n TYR 8 N -0.82 0.35 -1.51 1.08 9.36 -1.25 -4.83 117.16 119.53 2gdx n TYR 8 Ca 0.25 -0.82 -0.40 0.00 3.32 0.00 0.00 57.90 60.25 2gdx n TYR 8 Cb 0.83 -0.17 -0.01 0.00 -0.63 0.00 0.00 39.34 39.35 2gdx n TYR 8 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2gdx n VAL 9 N -0.77 3.42 -3.60 2.97 3.14 -1.25 -4.72 118.33 117.53 2gdx n VAL 9 Ca 0.15 -2.66 -0.40 0.00 -2.96 0.00 0.00 64.34 58.47 2gdx n VAL 9 Cb 0.63 -2.55 -0.10 0.00 -1.06 0.00 0.00 33.84 30.76 2gdx n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gdx s ALA 10 N 3.17 3.29 0.49 1.55 0.00 -1.26 -5.09 121.76 123.92 2gdx s ALA 10 Ca 0.53 -2.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.27 2gdx s ALA 10 Cb 0.15 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.56 2gdx s ALA 10 CO -0.06 -1.63 0.88 -1.25 0.00 0.00 0.00 175.76 173.71 2gdx s PRO 11 N 1.44 3.75 -0.11 0.00 0.05 -1.26 -5.01 135.00 133.85 2gdx s PRO 11 Ca 0.03 0.61 -0.02 0.00 0.05 0.00 0.00 61.00 61.66 2gdx s PRO 11 Cb -0.23 -2.26 -0.06 0.00 0.05 0.00 0.00 34.50 32.00 2gdx s PRO 11 CO 0.02 -0.23 -0.12 0.25 0.05 0.00 0.00 177.00 176.97 2gdx n THR 12 N -1.82 0.64 -4.28 1.26 -2.24 -1.26 -5.06 114.28 101.51 2gdx n THR 12 Ca 0.04 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 2gdx n THR 12 Cb 0.54 -1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 67.46 2gdx n THR 12 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2gdx s ASN 13 N -5.55 4.39 0.23 3.42 3.84 -1.26 -5.03 114.94 114.98 2gdx s ASN 13 Ca -0.16 -1.40 0.25 0.00 0.21 0.00 0.00 52.86 51.77 2gdx s ASN 13 Cb 0.05 0.36 0.67 0.00 -0.55 0.00 0.00 41.25 41.77 2gdx s ASN 13 CO 0.23 -0.93 1.67 0.00 -2.79 0.00 0.00 177.10 175.28 2gdx h ALA 14 N 1.08 0.93 0.58 1.71 0.00 -1.99 -3.23 119.26 118.35 2gdx h ALA 14 Ca -0.40 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2gdx h ALA 14 Cb 1.30 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.10 2gdx h ALA 14 CO 0.66 0.00 -0.28 0.28 0.00 0.00 0.00 179.25 179.91 2gdx h VAL 15 N 0.00 0.30 0.00 0.00 2.07 -1.98 -1.94 116.25 114.69 2gdx h VAL 15 Ca 0.00 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2gdx h VAL 15 Cb 0.78 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2gdx h VAL 15 CO 0.00 0.04 -0.17 1.05 0.02 0.00 0.00 177.57 178.50 2gdx h GLU 16 N -1.02 0.00 -0.13 1.57 9.09 -1.92 -2.81 114.58 119.35 2gdx h GLU 16 Ca -0.08 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.32 2gdx h GLU 16 Cb 0.66 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.75 2gdx h GLU 16 CO 0.13 0.17 0.06 1.03 0.05 0.00 0.00 179.01 180.45 2gdx h SER 17 N 0.00 0.17 -0.45 3.06 0.87 -1.55 0.38 113.55 116.03 2gdx h SER 17 Ca -0.00 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2gdx h SER 17 Cb 0.77 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 2gdx h SER 17 CO 0.02 0.26 0.27 0.11 -0.53 0.00 0.00 176.83 176.96 2gdx h LYS 18 N 0.07 0.62 0.48 2.24 1.57 -1.16 -1.14 116.57 119.26 2gdx h LYS 18 Ca 0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2gdx h LYS 18 Cb 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2gdx h LYS 18 CO -0.00 0.47 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.04 2gdx h LEU 19 N 0.60 -0.55 -0.35 2.94 3.38 -1.39 -2.74 115.31 117.20 2gdx h LEU 19 Ca 0.16 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2gdx h LEU 19 Cb 0.01 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2gdx h LEU 19 CO -0.03 -0.24 -0.06 0.00 0.09 0.00 0.00 178.44 178.20 2gdx h ALA 20 N -0.48 0.47 -0.41 1.53 0.00 -0.92 -2.03 119.26 117.44 2gdx h ALA 20 Ca -0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2gdx h ALA 20 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2gdx h ALA 20 CO 0.11 0.30 -0.16 0.93 0.00 0.00 0.00 179.25 180.42 2gdx h GLU 21 N 0.44 0.76 -0.09 0.00 5.08 -1.30 0.12 114.58 119.60 2gdx h GLU 21 Ca 0.09 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2gdx h GLU 21 Cb 0.55 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2gdx h GLU 21 CO 0.03 0.88 -0.16 0.82 -1.00 0.00 0.00 179.01 179.58 2gdx h ILE 22 N 0.68 1.39 0.00 3.13 5.03 -1.42 -2.87 117.51 123.45 2gdx h ILE 22 Ca 0.11 -1.43 -0.07 0.00 -0.12 0.00 0.00 64.86 63.34 2gdx h ILE 22 Cb 0.65 2.11 -0.01 0.00 -3.03 0.00 0.00 36.82 36.55 2gdx h ILE 22 CO 0.05 0.41 -0.34 -0.50 -0.68 0.00 0.00 178.15 177.08 2gdx h TRP 23 N -0.18 0.00 0.14 1.37 4.06 -1.29 -2.26 115.95 117.79 2gdx h TRP 23 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2gdx h TRP 23 Cb 0.73 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.88 2gdx h TRP 23 CO 0.11 0.34 -0.11 1.49 -3.56 0.00 0.00 178.44 176.71 2gdx h GLU 24 N 0.00 -0.25 0.00 0.49 4.22 -0.70 0.33 114.58 118.67 2gdx h GLU 24 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2gdx h GLU 24 Cb 0.73 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2gdx h GLU 24 CO 0.04 -0.17 0.00 0.00 -2.18 0.00 0.00 179.01 176.71 2gdx h ARG 25 N -0.26 0.00 0.01 1.92 2.47 -1.27 0.44 114.38 117.69 2gdx h ARG 25 Ca -0.00 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 2gdx h ARG 25 Cb 0.24 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 2gdx h ARG 25 CO -0.02 0.00 -0.80 0.28 0.56 0.00 0.00 179.97 180.00 2gdx h VAL 26 N 0.00 1.27 0.00 2.04 2.07 -1.09 -3.45 116.25 117.09 2gdx h VAL 26 Ca 0.00 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2gdx h VAL 26 Cb 0.71 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2gdx h VAL 26 CO 0.00 0.47 -0.93 0.18 0.02 0.00 0.00 177.57 177.31 2gdx n LEU 27 N -4.44 0.47 0.00 2.57 7.99 0.11 -4.96 117.00 118.74 2gdx n LEU 27 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.77 2gdx n LEU 27 Cb 0.63 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.94 2gdx n LEU 27 CO 0.27 0.08 0.05 0.61 -1.51 0.00 0.00 177.39 176.89 2gdx n GLY 28 N 2.91 0.71 2.87 -0.72 0.00 0.07 -4.91 105.19 106.11 2gdx n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2gdx n GLY 28 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2gdx n VAL 29 N -0.39 0.00 0.11 1.61 3.14 0.13 -4.82 118.33 118.11 2gdx n VAL 29 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 2gdx n VAL 29 Cb 0.00 -0.19 -0.06 0.00 -1.06 0.00 0.00 33.84 32.53 2gdx n VAL 29 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2gdx n SER 30 N -0.11 2.30 -0.13 6.55 7.64 -1.26 -4.99 113.62 123.62 2gdx n SER 30 Ca 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.67 2gdx n SER 30 Cb 0.06 1.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 2gdx n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gdx n GLY 31 N 1.78 1.06 3.88 0.23 0.00 -1.26 -0.84 105.19 110.04 2gdx n GLY 31 Ca -0.01 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 2gdx n GLY 31 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gdx s ILE 32 N -2.25 2.00 0.00 -0.61 -4.36 -1.26 -3.75 121.20 110.96 2gdx s ILE 32 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 2gdx s ILE 32 Cb 0.00 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.76 2gdx s ILE 32 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 2gdx n GLY 33 N -3.11 3.93 5.31 6.27 0.00 -1.26 -4.57 105.19 111.76 2gdx n GLY 33 Ca 0.08 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2gdx n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gdx n ILE 34 N -1.56 0.00 0.10 -0.61 2.08 -1.26 -2.87 119.36 115.24 2gdx n ILE 34 Ca 0.00 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.27 2gdx n ILE 34 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 39.64 39.01 2gdx n ILE 34 CO 0.00 0.00 0.00 0.17 0.56 0.00 0.00 176.55 177.28 2gdx h LEU 35 N 0.00 0.17 0.00 1.39 -0.00 -1.90 -3.39 115.31 111.58 2gdx h LEU 35 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2gdx h LEU 35 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2gdx h LEU 35 CO 0.00 0.76 0.00 -0.67 -0.00 0.00 0.00 178.44 178.53 2gdx n ASP 36 N -3.82 0.00 0.00 0.17 -0.08 -1.14 -4.75 116.55 106.93 2gdx n ASP 36 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 2gdx n ASP 36 Cb 0.64 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.10 2gdx n ASP 36 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2gdx n ASN 37 N 1.79 0.00 -0.04 1.67 3.02 -1.16 -4.83 115.26 115.71 2gdx n ASN 37 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 2gdx n ASN 37 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2gdx n ASN 37 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2gdx n PHE 38 N -2.00 0.00 0.00 3.10 3.72 -1.26 -4.91 117.46 116.11 2gdx n PHE 38 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2gdx n PHE 38 Cb 0.00 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 2gdx n PHE 38 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2gdx n PHE 39 N -3.84 0.00 -2.07 1.38 7.35 -1.26 -3.73 117.46 115.28 2gdx n PHE 39 Ca -0.17 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.18 2gdx n PHE 39 Cb 0.46 -0.14 -0.04 0.00 0.35 0.00 0.00 39.48 40.11 2gdx n PHE 39 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2gdx s GLN 40 N -0.69 2.65 0.00 -4.13 -0.21 -1.26 -2.98 119.66 113.04 2gdx s GLN 40 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.62 2gdx s GLN 40 Cb 0.00 -4.62 0.00 0.00 1.00 0.00 0.00 33.01 29.39 2gdx s GLN 40 CO 0.00 -2.91 0.00 1.51 -2.12 0.00 0.00 175.29 171.77 2gdx n ILE 41 N 7.39 0.00 0.00 1.08 0.13 0.71 -2.98 119.36 125.68 2gdx n ILE 41 Ca 0.26 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.91 2gdx n ILE 41 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.30 2gdx n ILE 41 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2gdx n GLY 42 N 0.00 1.44 3.67 4.50 0.00 -0.43 -4.83 105.19 109.54 2gdx n GLY 42 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2gdx n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gdx s GLY 43 N -2.00 2.10 -1.32 -0.02 0.00 -1.22 -4.67 107.32 100.19 2gdx s GLY 43 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 44.72 44.18 2gdx s GLY 43 CO 0.00 1.02 1.84 1.57 0.00 0.00 0.00 173.10 177.52 2gdx n HIS 44 N 4.66 3.98 -1.41 1.90 -0.00 -1.26 -4.84 115.22 118.24 2gdx n HIS 44 Ca -0.05 -2.98 -0.31 0.00 0.46 0.00 0.00 57.72 54.84 2gdx n HIS 44 Cb 0.51 -2.33 0.08 0.00 -0.12 0.00 0.00 29.99 28.13 2gdx n HIS 44 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2gdx s SER 45 N 2.74 4.68 -1.28 0.26 1.04 -1.26 -4.94 113.70 114.94 2gdx s SER 45 Ca 0.46 1.62 -0.08 0.00 0.48 0.00 0.00 55.95 58.43 2gdx s SER 45 Cb 0.07 -2.39 0.16 0.00 0.10 0.00 0.00 66.02 63.96 2gdx s SER 45 CO -0.00 -1.89 1.99 0.18 0.98 0.00 0.00 173.24 174.50 2gdx n LEU 46 N -3.41 7.02 -4.10 2.42 4.77 -1.26 -4.69 117.00 117.74 2gdx n LEU 46 Ca 0.08 -4.74 -0.08 0.00 -0.03 0.00 0.00 56.01 51.24 2gdx n LEU 46 Cb 0.54 -1.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 2gdx n LEU 46 CO 0.55 1.58 -0.36 -0.54 -1.33 0.00 0.00 177.39 177.29 2gdx s LYS 47 N -0.21 0.66 0.23 3.23 -0.14 -1.26 -5.06 119.74 117.18 2gdx s LYS 47 Ca 0.43 -1.25 -0.07 0.00 -1.36 0.00 0.00 55.97 53.72 2gdx s LYS 47 Cb 0.12 0.14 0.26 0.00 -1.68 0.00 0.00 37.83 36.67 2gdx s LYS 47 CO -0.02 -0.10 1.86 0.00 -0.76 0.00 0.00 175.35 176.34 2gdx h ALA 48 N 3.11 1.09 -0.15 5.17 0.00 -2.00 -1.25 119.26 125.23 2gdx h ALA 48 Ca -0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2gdx h ALA 48 Cb 1.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2gdx h ALA 48 CO 0.66 0.31 0.05 1.98 0.00 0.00 0.00 179.25 182.25 2gdx h MET 49 N 0.99 0.20 -0.19 0.00 -1.53 -1.97 -0.32 114.93 112.11 2gdx h MET 49 Ca 0.34 -0.02 -0.17 0.00 -3.44 0.00 0.00 59.70 56.40 2gdx h MET 49 Cb 0.06 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.06 2gdx h MET 49 CO -0.13 0.18 -0.59 0.00 0.14 0.00 0.00 176.91 176.50 2gdx h ALA 50 N 1.86 0.61 0.00 0.39 0.00 -1.51 -1.35 119.26 119.26 2gdx h ALA 50 Ca 0.05 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 2gdx h ALA 50 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2gdx h ALA 50 CO -0.01 0.70 -0.70 0.28 0.00 0.00 0.00 179.25 179.53 2gdx h VAL 51 N 0.46 1.38 -0.33 0.00 2.07 -1.19 -2.69 116.25 115.95 2gdx h VAL 51 Ca -0.00 -2.48 -0.08 0.00 0.82 0.00 0.00 66.70 64.96 2gdx h VAL 51 Cb 1.16 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 2gdx h VAL 51 CO 0.11 0.68 -0.13 0.00 0.02 0.00 0.00 177.57 178.26 2gdx h ALA 52 N 1.30 1.17 0.00 1.67 0.00 -0.84 -1.47 119.26 121.10 2gdx h ALA 52 Ca -0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2gdx h ALA 52 Cb 1.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2gdx h ALA 52 CO 0.09 0.53 -0.33 0.00 0.00 0.00 0.00 179.25 179.54 2gdx h ALA 53 N 1.34 1.13 0.00 0.00 0.00 -1.08 -2.20 119.26 118.46 2gdx h ALA 53 Ca 0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2gdx h ALA 53 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2gdx h ALA 53 CO 0.03 0.41 -0.25 0.37 0.00 0.00 0.00 179.25 179.81 2gdx h GLN 54 N 0.00 0.00 0.00 0.00 5.75 -1.02 -3.27 115.11 116.57 2gdx h GLN 54 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2gdx h GLN 54 Cb 0.74 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.29 2gdx h GLN 54 CO 0.04 0.25 -1.15 1.55 -2.65 0.00 0.00 178.83 176.88 2gdx n VAL 55 N -3.17 0.17 -1.03 2.39 3.14 -0.63 -4.17 118.33 115.03 2gdx n VAL 55 Ca 0.03 -0.28 -0.21 0.00 -2.96 0.00 0.00 64.34 60.91 2gdx n VAL 55 Cb 0.63 0.19 0.04 0.00 -1.06 0.00 0.00 33.84 33.64 2gdx n VAL 55 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 2gdx n HIS 56 N -2.03 1.88 -0.25 1.45 -0.00 -0.86 -4.83 115.22 110.58 2gdx n HIS 56 Ca 0.01 -2.17 0.00 0.00 0.46 0.00 0.00 57.72 56.02 2gdx n HIS 56 Cb 0.46 -1.09 0.00 0.00 -0.12 0.00 0.00 29.99 29.24 2gdx n HIS 56 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2gdx n ARG 57 N 0.14 0.00 -2.63 1.57 0.63 -1.26 -5.05 116.66 110.07 2gdx n ARG 57 Ca 0.38 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 57.06 2gdx n ARG 57 Cb 0.59 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.52 2gdx n ARG 57 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2gdx s GLU 58 N -0.22 2.99 -1.17 -0.14 8.01 -1.26 -4.97 118.70 121.93 2gdx s GLU 58 Ca 0.00 -0.20 -0.21 0.00 0.01 0.00 0.00 54.97 54.57 2gdx s GLU 58 Cb 0.00 -2.39 0.00 0.00 -4.31 0.00 0.00 34.13 27.43 2gdx s GLU 58 CO 0.00 -0.52 1.78 0.71 0.01 0.00 0.00 175.26 177.24 2gdx s TYR 59 N -2.81 2.35 -2.00 1.61 1.51 -1.26 -4.76 117.35 111.99 2gdx s TYR 59 Ca 0.52 -0.53 0.16 0.00 -1.01 0.00 0.00 57.07 56.21 2gdx s TYR 59 Cb -0.10 -4.41 0.97 0.00 -0.11 0.00 0.00 41.96 38.30 2gdx s TYR 59 CO 0.42 -1.62 1.40 0.00 -1.11 0.00 0.00 175.55 174.64 2gdx n GLN 60 N 8.50 0.63 0.00 -0.62 10.64 -1.26 -4.91 117.38 130.36 2gdx n GLN 60 Ca 0.44 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.61 2gdx n GLN 60 Cb 0.47 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 2gdx n GLN 60 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2gdx n VAL 61 N -0.90 0.00 -1.35 -0.39 0.31 -1.26 -1.01 118.33 113.73 2gdx n VAL 61 Ca 0.12 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.53 2gdx n VAL 61 Cb 0.06 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.14 2gdx n VAL 61 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2gdx n GLU 62 N 0.00 1.28 -3.32 5.55 -0.58 -1.26 -4.80 120.64 117.50 2gdx n GLU 62 Ca 0.00 -2.73 -0.26 0.00 -0.42 0.00 0.00 57.16 53.75 2gdx n GLU 62 Cb 0.00 -1.44 -0.07 0.00 -0.57 0.00 0.00 31.44 29.36 2gdx n GLU 62 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2gdx n LEU 63 N -1.19 2.87 -4.03 -4.62 -0.00 -0.18 -5.00 117.00 104.85 2gdx n LEU 63 Ca 0.16 -5.27 -0.43 0.00 -0.00 0.00 0.00 56.01 50.47 2gdx n LEU 63 Cb 0.68 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 2gdx n LEU 63 CO -0.01 2.09 1.94 -0.81 -0.00 0.00 0.00 177.39 180.60 2gdx n PRO 64 N 0.88 3.42 -2.83 1.96 -0.05 -1.26 -4.83 135.00 132.29 2gdx n PRO 64 Ca 0.28 -3.44 -0.41 0.00 -0.05 0.00 0.00 63.50 59.87 2gdx n PRO 64 Cb 0.44 -3.05 -0.04 0.00 -0.05 0.00 0.00 33.50 30.81 2gdx n PRO 64 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 2gdx s LEU 65 N 0.91 4.34 -1.54 1.53 2.96 -1.26 -3.68 118.68 121.93 2gdx s LEU 65 Ca 0.42 1.47 -0.04 0.00 -0.22 0.00 0.00 54.13 55.76 2gdx s LEU 65 Cb 0.07 -3.39 0.01 0.00 0.50 0.00 0.00 46.19 43.39 2gdx s LEU 65 CO -0.00 -0.23 0.48 0.29 -1.32 0.00 0.00 176.35 175.56 2gdx n LYS 66 N 3.98 -4.12 -1.64 1.98 5.02 -1.26 -4.98 118.16 117.13 2gdx n LYS 66 Ca 0.04 0.86 -0.10 0.00 -2.02 0.00 0.00 58.31 57.08 2gdx n LYS 66 Cb 0.51 -5.66 0.05 0.00 -0.02 0.00 0.00 35.03 29.90 2gdx n LYS 66 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2gdx n VAL 67 N -4.32 0.00 0.29 -0.18 3.14 -1.24 -4.88 118.33 111.14 2gdx n VAL 67 Ca -0.12 -0.78 0.17 0.00 -2.96 0.00 0.00 64.34 60.65 2gdx n VAL 67 Cb 0.62 -1.03 0.83 0.00 -1.06 0.00 0.00 33.84 33.20 2gdx n VAL 67 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2gdx h LEU 68 N 0.00 0.00 -5.18 6.55 3.38 -1.91 -1.45 115.31 116.70 2gdx h LEU 68 Ca -0.14 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.52 2gdx h LEU 68 Cb 0.56 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.91 2gdx h LEU 68 CO 0.17 0.00 -1.14 2.22 0.09 0.00 0.00 178.44 179.78 2gdx n PHE 69 N -3.09 1.31 -2.39 1.13 1.16 -1.26 -4.78 117.46 109.54 2gdx n PHE 69 Ca -0.00 -2.44 -0.25 0.00 -1.87 0.00 0.00 57.45 52.88 2gdx n PHE 69 Cb 0.40 -0.29 0.01 0.00 -1.61 0.00 0.00 39.48 37.98 2gdx n PHE 69 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2gdx n ALA 70 N -0.37 4.97 -3.58 1.98 0.00 -0.55 -0.21 120.51 122.75 2gdx n ALA 70 Ca 0.10 -4.15 -0.14 0.00 0.00 0.00 0.00 53.44 49.24 2gdx n ALA 70 Cb 0.81 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 2gdx n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2gdx s GLN 71 N -3.54 0.85 0.00 0.00 -1.52 -1.26 -4.06 119.66 110.12 2gdx s GLN 71 Ca 0.48 0.56 0.12 0.00 -1.95 0.00 0.00 55.36 54.57 2gdx s GLN 71 Cb 0.40 0.41 0.71 0.00 -0.22 0.00 0.00 33.01 34.31 2gdx s GLN 71 CO -0.13 -0.19 1.14 -2.30 -0.25 0.00 0.00 175.29 173.56 2gdx n PRO 72 N 1.72 0.42 -3.73 2.91 -0.02 -1.26 -4.10 135.00 130.94 2gdx n PRO 72 Ca -0.15 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.03 2gdx n PRO 72 Cb 0.56 -1.44 -0.13 0.00 -0.02 0.00 0.00 33.50 32.47 2gdx n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2gdx s THR 73 N -2.00 1.51 0.45 3.45 2.01 -1.26 -4.15 115.64 115.65 2gdx s THR 73 Ca 0.18 -2.66 0.13 0.00 0.31 0.00 0.00 61.69 59.65 2gdx s THR 73 Cb 0.08 -2.05 0.30 0.00 0.01 0.00 0.00 72.50 70.84 2gdx s THR 73 CO 0.14 -0.90 2.05 -0.29 -0.69 0.00 0.00 174.62 174.93 2gdx h ILE 74 N 5.23 0.98 -0.75 1.82 6.09 -1.93 -1.81 117.51 127.15 2gdx h ILE 74 Ca -0.00 -0.11 -0.03 0.00 -1.37 0.00 0.00 64.86 63.34 2gdx h ILE 74 Cb 0.92 0.63 -0.03 0.00 0.47 0.00 0.00 36.82 38.80 2gdx h ILE 74 CO 0.50 0.06 0.33 0.07 -3.07 0.00 0.00 178.15 176.04 2gdx h LYS 75 N 0.33 1.09 -0.13 2.19 5.09 -1.92 -0.03 116.57 123.18 2gdx h LYS 75 Ca 0.16 -0.17 -0.06 0.00 0.09 0.00 0.00 60.65 60.67 2gdx h LYS 75 Cb 0.23 -0.19 -0.01 0.00 0.10 0.00 0.00 32.23 32.36 2gdx h LYS 75 CO -0.04 0.86 -0.19 0.00 -2.09 0.00 0.00 179.45 177.99 2gdx h ALA 76 N 1.29 1.43 0.11 0.07 0.00 -1.74 -0.42 119.26 120.00 2gdx h ALA 76 Ca 0.26 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2gdx h ALA 76 Cb 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2gdx h ALA 76 CO -0.03 0.40 -1.19 -0.07 0.00 0.00 0.00 179.25 178.36 2gdx h LEU 77 N 0.21 0.60 -1.60 0.00 3.38 -1.33 -2.60 115.31 113.97 2gdx h LEU 77 Ca 0.04 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2gdx h LEU 77 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2gdx h LEU 77 CO 0.03 1.42 -0.18 0.00 0.09 0.00 0.00 178.44 179.79 2gdx h ALA 78 N 0.51 1.22 -0.02 1.53 0.00 -0.53 -0.41 119.26 121.56 2gdx h ALA 78 Ca -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2gdx h ALA 78 Cb 1.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2gdx h ALA 78 CO 0.21 0.23 -0.00 1.04 0.00 0.00 0.00 179.25 180.73 2gdx n GLN 79 N -3.62 1.76 0.00 0.00 6.02 -0.21 -3.98 117.38 117.34 2gdx n GLN 79 Ca -0.01 -1.11 0.00 0.00 -0.01 0.00 0.00 57.00 55.87 2gdx n GLN 79 Cb 0.32 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2gdx n GLN 79 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2gdx n TYR 80 N 0.35 0.00 0.77 1.08 4.02 -0.28 -4.25 117.16 118.85 2gdx n TYR 80 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 2gdx n TYR 80 Cb 0.39 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.76 2gdx n TYR 80 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2gdx n VAL 81 N -0.13 0.48 -0.29 -0.72 0.24 -0.51 -1.19 118.33 116.21 2gdx n VAL 81 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2gdx n VAL 81 Cb 0.00 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 2gdx n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gdx n ALA 82 N 0.11 1.13 0.09 2.33 0.00 -1.23 -4.94 120.51 118.02 2gdx n ALA 82 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2gdx n ALA 82 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2gdx n ALA 82 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gdx n THR 83 N -0.21 0.00 -3.87 0.00 -2.24 -1.01 -4.99 114.28 101.95 2gdx n THR 83 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2gdx n THR 83 Cb 0.07 -0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 2gdx n THR 83 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2gdx s ARG 84 N -2.00 2.37 0.00 -0.78 1.81 -0.33 -5.04 118.95 114.98 2gdx s ARG 84 Ca 0.00 -2.98 0.00 0.00 -1.72 0.00 0.00 55.73 51.03 2gdx s ARG 84 Cb 0.00 -3.47 0.00 0.00 -0.45 0.00 0.00 34.95 31.03 2gdx s ARG 84 CO 0.00 -1.20 0.50 0.43 -0.68 0.00 0.00 175.30 174.34