#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 2.07 1.60 3.03 0.00 -1.26 -4.97 105.19 105.66 2gdx n GLY 2 Ca 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.75 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 2.35 2.18 0.67 1.61 0.31 -1.26 -3.82 118.33 120.37 2gdx n VAL 3 Ca 0.25 -0.92 0.08 0.00 -0.01 0.00 0.00 64.34 63.74 2gdx n VAL 3 Cb 0.51 -1.29 0.02 0.00 -0.91 0.00 0.00 33.84 32.17 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 0.74 0.00 -2.98 2.52 -1.04 -1.26 -4.97 114.28 107.29 2gdx n THR 4 Ca 0.15 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.05 61.67 2gdx n THR 4 Cb 0.59 1.23 0.01 0.00 -1.82 0.00 0.00 70.33 70.34 2gdx n THR 4 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2gdx n GLU 5 N 0.18 -2.11 -1.97 -2.82 -0.58 -1.25 -4.87 120.64 107.21 2gdx n GLU 5 Ca 0.07 1.90 -0.42 0.00 -0.42 0.00 0.00 57.16 58.29 2gdx n GLU 5 Cb 0.34 -5.27 -0.03 0.00 -0.57 0.00 0.00 31.44 25.92 2gdx n GLU 5 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gdx s ALA 6 N -2.59 3.68 -1.55 0.62 0.00 -0.31 -4.88 121.76 116.73 2gdx s ALA 6 Ca 0.21 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 2gdx s ALA 6 Cb -0.05 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 2gdx s ALA 6 CO 0.78 -1.04 2.71 0.94 0.00 0.00 0.00 175.76 179.15 2gdx n GLN 7 N 5.39 3.38 0.00 0.00 0.00 -1.26 -4.33 117.38 120.56 2gdx n GLN 7 Ca 0.15 -2.29 0.00 0.00 -0.00 0.00 0.00 57.00 54.86 2gdx n GLN 7 Cb 0.41 -2.94 0.00 0.00 0.00 0.00 0.00 30.24 27.71 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 4.39 0.00 0.00 3.69 9.36 -1.26 -4.99 117.16 128.35 2gdx n TYR 8 Ca 0.70 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.92 2gdx n TYR 8 Cb 0.28 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.99 2gdx n TYR 8 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2gdx n VAL 9 N -0.36 0.00 -2.69 2.97 0.31 -0.91 -4.84 118.33 112.81 2gdx n VAL 9 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 2gdx n VAL 9 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2gdx n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gdx s ALA 10 N 0.00 3.14 0.00 3.52 0.00 -1.26 -4.75 121.76 122.41 2gdx s ALA 10 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2gdx s ALA 10 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2gdx s ALA 10 CO 0.00 -2.30 0.00 -0.35 0.00 0.00 0.00 175.76 173.11 2gdx n PRO 11 N 7.72 0.00 0.00 0.00 -0.05 -1.26 -5.06 135.00 136.36 2gdx n PRO 11 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.53 2gdx n PRO 11 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.94 2gdx n PRO 11 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2gdx n THR 12 N 0.00 0.00 -4.21 0.52 -2.24 -1.26 -5.11 114.28 101.98 2gdx n THR 12 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2gdx n THR 12 Cb 0.00 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.27 2gdx n THR 12 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2gdx n ASN 13 N -1.39 0.53 -0.15 3.42 0.23 -1.26 -5.03 115.26 111.61 2gdx n ASN 13 Ca 0.00 -2.10 0.17 0.00 -0.53 0.00 0.00 54.58 52.12 2gdx n ASN 13 Cb 0.00 0.65 0.55 0.00 -2.08 0.00 0.00 39.78 38.89 2gdx n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gdx h ALA 14 N 1.42 2.23 -0.33 -2.53 0.00 -2.00 -0.01 119.26 118.04 2gdx h ALA 14 Ca -0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2gdx h ALA 14 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2gdx h ALA 14 CO 0.22 -0.44 0.00 0.28 0.00 0.00 0.00 179.25 179.32 2gdx h VAL 15 N 0.32 1.19 0.21 0.00 2.07 -1.99 0.40 116.25 118.46 2gdx h VAL 15 Ca 0.37 -0.76 -0.31 0.00 0.82 0.00 0.00 66.70 66.81 2gdx h VAL 15 Cb 0.96 0.94 0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2gdx h VAL 15 CO -0.10 0.26 -1.39 -0.08 0.02 0.00 0.00 177.57 176.28 2gdx h GLU 16 N 0.49 0.44 -0.70 1.57 4.81 -1.42 -2.70 114.58 117.08 2gdx h GLU 16 Ca 0.11 -0.75 -0.05 0.00 -0.13 0.00 0.00 59.36 58.53 2gdx h GLU 16 Cb 0.32 0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2gdx h GLU 16 CO 0.01 1.36 0.23 0.77 -0.73 0.00 0.00 179.01 180.65 2gdx h SER 17 N 0.12 1.00 0.33 1.04 0.02 -1.11 -0.98 113.55 113.97 2gdx h SER 17 Ca -0.21 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.46 2gdx h SER 17 Cb 2.09 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 2gdx h SER 17 CO 0.25 0.92 -0.46 0.07 -1.14 0.00 0.00 176.83 176.47 2gdx h LYS 18 N 1.04 0.16 -0.27 3.45 2.10 -0.98 -1.27 116.57 120.80 2gdx h LYS 18 Ca 0.23 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.77 2gdx h LYS 18 Cb 0.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 2gdx h LYS 18 CO -0.01 0.59 0.05 1.25 -2.00 0.00 0.00 179.45 179.33 2gdx h LEU 19 N 0.13 0.42 -1.60 7.07 5.85 -1.08 -2.60 115.31 123.50 2gdx h LEU 19 Ca 0.01 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2gdx h LEU 19 Cb 0.87 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2gdx h LEU 19 CO 0.07 0.56 0.25 0.00 -0.34 0.00 0.00 178.44 178.97 2gdx h ALA 20 N 0.88 1.71 -0.36 1.25 0.00 -0.93 -1.65 119.26 120.15 2gdx h ALA 20 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2gdx h ALA 20 Cb 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2gdx h ALA 20 CO 0.00 0.27 0.16 0.93 0.00 0.00 0.00 179.25 180.61 2gdx h GLU 21 N 0.53 0.33 -0.04 0.00 5.08 -0.85 0.84 114.58 120.47 2gdx h GLU 21 Ca 0.14 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2gdx h GLU 21 Cb -0.04 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2gdx h GLU 21 CO -0.03 0.22 -0.08 0.82 -1.00 0.00 0.00 179.01 178.94 2gdx h ILE 22 N 0.34 1.45 -0.14 3.13 2.04 -1.24 -2.90 117.51 120.19 2gdx h ILE 22 Ca 0.16 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 2gdx h ILE 22 Cb 0.09 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2gdx h ILE 22 CO -0.13 0.39 -0.07 -0.50 0.00 0.00 0.00 178.15 177.84 2gdx h TRP 23 N -0.42 0.34 -0.17 1.37 4.06 -1.24 -2.00 115.95 117.89 2gdx h TRP 23 Ca -0.00 -0.09 -0.07 0.00 2.06 0.00 0.00 58.89 60.79 2gdx h TRP 23 Cb 0.68 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 28.76 2gdx h TRP 23 CO 0.13 0.63 -0.17 1.49 -3.56 0.00 0.00 178.44 176.96 2gdx h GLU 24 N -0.06 0.42 -0.20 0.49 4.81 -0.97 -0.49 114.58 118.58 2gdx h GLU 24 Ca 0.03 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 58.85 2gdx h GLU 24 Cb 0.55 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2gdx h GLU 24 CO 0.02 0.79 -0.61 0.00 -0.73 0.00 0.00 179.01 178.48 2gdx h ARG 25 N 0.07 0.68 0.00 1.92 2.47 -1.57 0.42 114.38 118.38 2gdx h ARG 25 Ca 0.03 -0.46 -0.02 0.00 -1.26 0.00 0.00 59.98 58.26 2gdx h ARG 25 Cb 0.71 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2gdx h ARG 25 CO 0.04 1.08 -0.88 0.28 0.56 0.00 0.00 179.97 181.05 2gdx n VAL 26 N -3.95 1.47 -0.97 2.04 0.31 -0.75 -3.54 118.33 112.93 2gdx n VAL 26 Ca -0.04 0.15 -0.19 0.00 -0.01 0.00 0.00 64.34 64.24 2gdx n VAL 26 Cb 0.65 -2.34 0.04 0.00 -0.91 0.00 0.00 33.84 31.28 2gdx n VAL 26 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2gdx n LEU 27 N -4.51 6.64 0.00 7.52 7.94 -0.20 -4.15 117.00 130.24 2gdx n LEU 27 Ca -0.13 -3.46 0.00 0.00 -1.11 0.00 0.00 56.01 51.31 2gdx n LEU 27 Cb 0.45 -1.05 0.00 0.00 0.53 0.00 0.00 43.42 43.34 2gdx n LEU 27 CO 0.17 1.28 0.00 0.61 -1.11 0.00 0.00 177.39 178.33 2gdx n GLY 28 N 0.20 -0.13 4.08 -3.96 0.00 -1.20 -4.82 105.19 99.36 2gdx n GLY 28 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2gdx n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gdx n VAL 29 N -1.70 0.00 -2.51 1.61 0.31 0.15 -4.94 118.33 111.24 2gdx n VAL 29 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 2gdx n VAL 29 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2gdx n VAL 29 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2gdx s SER 30 N 0.00 6.83 -1.28 4.52 0.01 -1.25 -4.81 113.70 117.71 2gdx s SER 30 Ca 0.00 2.10 -0.17 0.00 1.31 0.00 0.00 55.95 59.20 2gdx s SER 30 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 2gdx s SER 30 CO 0.00 -0.45 2.09 0.61 0.41 0.00 0.00 173.24 175.90 2gdx n GLY 31 N 0.52 3.65 3.29 3.44 0.00 -1.26 -4.65 105.19 110.18 2gdx n GLY 31 Ca 0.04 -1.47 -0.45 0.00 0.00 0.00 0.00 46.02 44.14 2gdx n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gdx s ILE 32 N 4.04 5.27 -1.30 -0.61 -1.09 -1.26 -1.16 121.20 125.08 2gdx s ILE 32 Ca 0.51 -2.43 -0.18 0.00 -2.23 0.00 0.00 60.65 56.32 2gdx s ILE 32 Cb 0.12 -4.29 0.07 0.00 -1.58 0.00 0.00 42.46 36.78 2gdx s ILE 32 CO -0.01 -0.99 1.75 0.61 -1.23 0.00 0.00 174.94 175.07 2gdx n GLY 33 N 4.05 2.55 4.43 6.18 0.00 -1.26 -4.58 105.19 116.56 2gdx n GLY 33 Ca 0.10 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 6.44 0.00 0.00 -0.61 2.08 -1.26 -2.14 119.36 123.87 2gdx n ILE 34 Ca 0.49 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.80 2gdx n ILE 34 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.35 2gdx n ILE 34 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2gdx n LEU 35 N 0.00 0.00 -4.60 1.39 0.00 -1.26 -4.12 117.00 108.40 2gdx n LEU 35 Ca 0.00 0.35 -0.43 0.00 0.00 0.00 0.00 56.01 55.93 2gdx n LEU 35 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 2gdx n LEU 35 CO 0.00 0.00 1.03 -0.62 0.00 0.00 0.00 177.39 177.80 2gdx s ASP 36 N -2.38 6.65 -0.86 1.96 2.15 -1.26 -4.96 116.67 117.97 2gdx s ASP 36 Ca 0.00 0.54 -0.25 0.00 0.43 0.00 0.00 52.55 53.27 2gdx s ASP 36 Cb 0.00 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2gdx s ASP 36 CO 0.00 -1.23 1.35 0.20 -0.17 0.00 0.00 175.17 175.32 2gdx s ASN 37 N 2.46 6.31 -0.04 -0.34 0.02 -1.26 -4.81 114.94 117.28 2gdx s ASN 37 Ca 0.48 -0.88 0.19 0.00 -1.02 0.00 0.00 52.86 51.64 2gdx s ASN 37 Cb -0.08 -2.56 -0.23 0.00 0.02 0.00 0.00 41.25 38.39 2gdx s ASN 37 CO 0.30 -1.70 0.49 2.22 0.02 0.00 0.00 177.10 178.44 2gdx n PHE 38 N 9.16 0.34 -0.05 2.20 1.16 -1.26 -4.58 117.46 124.43 2gdx n PHE 38 Ca 0.16 0.11 0.00 0.00 -1.87 0.00 0.00 57.45 55.85 2gdx n PHE 38 Cb 0.50 -0.84 0.00 0.00 -1.61 0.00 0.00 39.48 37.52 2gdx n PHE 38 CO 0.00 0.00 0.00 1.97 -1.87 0.00 0.00 176.76 176.86 2gdx n PHE 39 N -2.61 0.00 0.14 2.97 -1.74 -1.26 -4.43 117.46 110.53 2gdx n PHE 39 Ca -0.14 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.66 2gdx n PHE 39 Cb 0.82 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.76 2gdx n PHE 39 CO 0.00 0.00 0.00 1.96 -0.56 0.00 0.00 176.76 178.16 2gdx h GLN 40 N 0.00 -0.41 -3.01 3.97 7.50 -1.83 -3.35 115.11 117.99 2gdx h GLN 40 Ca 0.00 0.03 -0.75 0.00 0.50 0.00 0.00 58.65 58.43 2gdx h GLN 40 Cb 0.02 0.09 -0.32 0.00 0.05 0.00 0.00 27.48 27.33 2gdx h GLN 40 CO 0.00 -0.13 0.30 -0.89 -1.50 0.00 0.00 178.83 176.61 2gdx n ILE 41 N -5.06 4.20 0.00 2.54 5.41 -1.26 -2.99 119.36 122.20 2gdx n ILE 41 Ca -0.07 -5.54 0.00 0.00 1.00 0.00 0.00 62.75 58.14 2gdx n ILE 41 Cb 0.24 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 2gdx n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gdx n GLY 42 N 1.71 -0.15 3.55 7.39 0.00 -1.26 -5.01 105.19 111.42 2gdx n GLY 42 Ca 0.25 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.80 0.39 -0.02 0.00 -1.26 -4.33 107.32 103.90 2gdx s GLY 43 Ca 0.00 -2.98 -0.27 0.00 0.00 0.00 0.00 44.72 41.47 2gdx s GLY 43 CO 0.00 2.55 1.33 -2.38 0.00 0.00 0.00 173.10 174.60 2gdx s HIS 44 N 3.62 2.83 0.75 1.90 -3.43 -1.25 -4.56 115.29 115.15 2gdx s HIS 44 Ca 0.50 1.38 -0.11 0.00 -0.80 0.00 0.00 55.06 56.03 2gdx s HIS 44 Cb 0.02 -3.72 0.04 0.00 -1.43 0.00 0.00 32.58 27.49 2gdx s HIS 44 CO 0.05 -2.17 1.08 -1.54 -2.00 0.00 0.00 174.74 170.15 2gdx s SER 45 N -0.60 4.91 0.03 7.38 1.04 -1.26 -4.95 113.70 120.25 2gdx s SER 45 Ca 0.55 1.54 0.26 0.00 0.48 0.00 0.00 55.95 58.77 2gdx s SER 45 Cb -0.40 -2.34 0.65 0.00 0.10 0.00 0.00 66.02 64.03 2gdx s SER 45 CO 0.52 -1.73 1.52 0.18 0.98 0.00 0.00 173.24 174.71 2gdx n LEU 46 N -3.30 0.43 -4.63 2.42 4.77 -1.26 -4.49 117.00 110.93 2gdx n LEU 46 Ca 0.07 0.17 -0.37 0.00 -0.03 0.00 0.00 56.01 55.85 2gdx n LEU 46 Cb 0.54 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2gdx n LEU 46 CO 0.56 0.06 0.60 1.17 -1.33 0.00 0.00 177.39 178.44 2gdx n LYS 47 N -1.62 0.84 0.26 3.23 4.81 -1.26 -4.77 118.16 119.65 2gdx n LYS 47 Ca 0.05 0.33 0.18 0.00 -0.87 0.00 0.00 58.31 58.01 2gdx n LYS 47 Cb 0.36 -2.24 0.94 0.00 0.02 0.00 0.00 35.03 34.10 2gdx n LYS 47 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gdx h ALA 48 N 0.31 1.00 -0.14 3.14 0.00 -1.98 -1.63 119.26 119.96 2gdx h ALA 48 Ca -0.49 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2gdx h ALA 48 Cb 1.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2gdx h ALA 48 CO 0.50 0.00 0.06 1.98 0.00 0.00 0.00 179.25 181.79 2gdx h MET 49 N 0.00 0.21 0.00 0.00 -1.53 -1.93 0.60 114.93 112.28 2gdx h MET 49 Ca 0.00 -0.04 -0.16 0.00 -3.44 0.00 0.00 59.70 56.07 2gdx h MET 49 Cb 0.03 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.03 2gdx h MET 49 CO 0.00 0.30 -0.74 0.00 0.14 0.00 0.00 176.91 176.61 2gdx h ALA 50 N 0.90 0.61 -0.67 0.39 0.00 -1.56 -2.85 119.26 116.09 2gdx h ALA 50 Ca 0.05 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 2gdx h ALA 50 Cb 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2gdx h ALA 50 CO -0.00 0.93 0.11 0.28 0.00 0.00 0.00 179.25 180.56 2gdx h VAL 51 N 0.00 1.26 -0.72 0.00 2.07 -1.31 -0.34 116.25 117.21 2gdx h VAL 51 Ca -0.01 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 2gdx h VAL 51 Cb 1.46 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2gdx h VAL 51 CO 0.10 0.39 0.28 0.00 0.02 0.00 0.00 177.57 178.35 2gdx h ALA 52 N 1.05 1.14 -0.56 1.67 0.00 -0.80 -0.17 119.26 121.58 2gdx h ALA 52 Ca 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2gdx h ALA 52 Cb 0.44 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2gdx h ALA 52 CO 0.01 0.62 0.14 0.00 0.00 0.00 0.00 179.25 180.02 2gdx h ALA 53 N 1.26 0.74 -0.32 0.00 0.00 -1.24 -0.25 119.26 119.45 2gdx h ALA 53 Ca 0.24 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2gdx h ALA 53 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2gdx h ALA 53 CO -0.02 0.44 0.20 0.37 0.00 0.00 0.00 179.25 180.24 2gdx h GLN 54 N 0.80 0.41 -0.58 0.00 4.15 -0.53 -2.75 115.11 116.60 2gdx h GLN 54 Ca 0.18 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.48 2gdx h GLN 54 Cb 0.34 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2gdx h GLN 54 CO 0.00 0.27 0.00 0.28 -1.93 0.00 0.00 178.83 177.45 2gdx h VAL 55 N 0.42 1.26 0.00 2.39 2.07 -0.88 0.35 116.25 121.86 2gdx h VAL 55 Ca 0.12 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2gdx h VAL 55 Cb -0.04 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2gdx h VAL 55 CO -0.03 0.41 0.00 1.57 0.02 0.00 0.00 177.57 179.54 2gdx n HIS 56 N -4.18 0.00 -2.11 1.57 -0.00 -0.12 -1.62 115.22 108.76 2gdx n HIS 56 Ca 0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.78 2gdx n HIS 56 Cb 0.34 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.36 2gdx n HIS 56 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2gdx n ARG 57 N -0.73 0.19 -3.52 1.57 3.00 -1.04 -5.01 116.66 111.12 2gdx n ARG 57 Ca 0.07 -1.66 -0.19 0.00 -0.00 0.00 0.00 57.85 56.07 2gdx n ARG 57 Cb 0.03 -0.44 0.07 0.00 0.00 0.00 0.00 32.46 32.12 2gdx n ARG 57 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2gdx n GLU 58 N 0.03 -6.12 -2.32 -0.14 4.71 -0.64 -4.37 120.64 111.79 2gdx n GLU 58 Ca 0.05 0.78 -0.01 0.00 -0.01 0.00 0.00 57.16 57.96 2gdx n GLU 58 Cb 0.88 -5.65 0.00 0.00 -1.01 0.00 0.00 31.44 25.65 2gdx n GLU 58 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2gdx n TYR 59 N -4.19 -2.60 0.38 -0.32 4.01 0.12 -4.93 117.16 109.63 2gdx n TYR 59 Ca -0.29 1.13 0.13 0.00 -0.16 0.00 0.00 57.90 58.72 2gdx n TYR 59 Cb 0.67 -3.19 0.35 0.00 -0.31 0.00 0.00 39.34 36.86 2gdx n TYR 59 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2gdx h GLN 60 N 1.88 0.00 0.00 -0.72 4.20 -1.76 -3.47 115.11 115.24 2gdx h GLN 60 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gdx h GLN 60 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2gdx h GLN 60 CO 0.08 0.00 0.00 0.28 -0.67 0.00 0.00 178.83 178.52 2gdx n VAL 61 N -2.74 0.00 0.00 -0.54 0.31 -1.26 -4.22 118.33 109.87 2gdx n VAL 61 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2gdx n VAL 61 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 0.00 -5.06 5.55 1.02 -1.26 -5.06 120.64 115.83 2gdx n GLU 62 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2gdx n GLU 62 Cb 0.00 -0.31 -0.14 0.00 -0.02 0.00 0.00 31.44 30.97 2gdx n GLU 62 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2gdx s LEU 63 N -4.89 2.36 -1.26 -4.62 0.05 -1.26 -4.24 118.68 104.82 2gdx s LEU 63 Ca 0.00 -0.38 -0.10 0.00 0.05 0.00 0.00 54.13 53.70 2gdx s LEU 63 Cb 0.00 -1.43 -0.07 0.00 -2.05 0.00 0.00 46.19 42.64 2gdx s LEU 63 CO 0.00 0.32 2.45 -0.81 -0.55 0.00 0.00 176.35 177.76 2gdx n PRO 64 N 2.24 2.77 -2.55 1.48 -0.04 -1.26 -4.81 135.00 132.84 2gdx n PRO 64 Ca -0.16 -1.95 -0.42 0.00 -0.04 0.00 0.00 63.50 60.93 2gdx n PRO 64 Cb 0.52 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 2gdx n PRO 64 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2gdx s LEU 65 N 0.52 4.29 -0.85 1.53 2.96 -1.26 -2.01 118.68 123.86 2gdx s LEU 65 Ca 0.55 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 2gdx s LEU 65 Cb 0.14 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.27 2gdx s LEU 65 CO -0.04 -0.49 0.00 0.29 -1.32 0.00 0.00 176.35 174.79 2gdx n LYS 66 N 4.80 -1.35 -0.10 1.98 4.76 -1.25 -4.79 118.16 122.22 2gdx n LYS 66 Ca 0.09 0.72 -0.14 0.00 -2.87 0.00 0.00 58.31 56.12 2gdx n LYS 66 Cb 0.47 -4.90 -0.14 0.00 -1.84 0.00 0.00 35.03 28.62 2gdx n LYS 66 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2gdx n VAL 67 N -2.37 1.49 0.00 -0.18 3.14 -1.23 -5.02 118.33 114.15 2gdx n VAL 67 Ca -0.08 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 60.59 2gdx n VAL 67 Cb 0.46 -1.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.21 2gdx n VAL 67 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2gdx n LEU 68 N -3.06 0.00 0.03 6.55 7.94 -1.26 -4.92 117.00 122.29 2gdx n LEU 68 Ca -0.37 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.40 2gdx n LEU 68 Cb 1.07 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.93 2gdx n LEU 68 CO 0.36 0.00 0.68 -0.26 -1.11 0.00 0.00 177.39 177.06 2gdx h PHE 69 N 0.00 -0.08 -0.04 1.96 0.04 -1.87 -3.36 116.94 113.59 2gdx h PHE 69 Ca 0.00 -0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.08 2gdx h PHE 69 Cb 0.00 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2gdx h PHE 69 CO 0.00 0.26 2.90 0.00 -0.60 0.00 0.00 178.31 180.87 2gdx n ALA 70 N -2.31 4.96 -3.64 2.45 0.00 -0.85 -4.43 120.51 116.69 2gdx n ALA 70 Ca -0.08 -3.75 -0.04 0.00 0.00 0.00 0.00 53.44 49.57 2gdx n ALA 70 Cb 0.20 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.02 2gdx n ALA 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2gdx s GLN 71 N 3.65 0.47 -0.37 0.00 -0.44 -1.26 -3.86 119.66 117.86 2gdx s GLN 71 Ca 0.50 0.81 -0.27 0.00 -2.50 0.00 0.00 55.36 53.90 2gdx s GLN 71 Cb 0.13 0.10 -0.05 0.00 -1.64 0.00 0.00 33.01 31.55 2gdx s GLN 71 CO -0.04 -0.10 2.25 -2.14 0.50 0.00 0.00 175.29 175.77 2gdx s PRO 72 N 1.40 2.66 0.00 1.67 0.02 -1.26 -4.07 135.00 135.42 2gdx s PRO 72 Ca -0.09 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.56 2gdx s PRO 72 Cb -0.04 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 30.03 2gdx s PRO 72 CO -0.16 -2.64 0.00 2.41 -0.33 0.00 0.00 177.00 176.28 2gdx n THR 73 N 7.81 -1.81 0.14 0.99 -1.04 -1.26 -4.94 114.28 114.18 2gdx n THR 73 Ca 0.32 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.39 2gdx n THR 73 Cb 0.50 -2.39 0.05 0.00 -1.82 0.00 0.00 70.33 66.67 2gdx n THR 73 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2gdx h ILE 74 N 0.00 0.39 -0.89 12.58 1.08 -1.85 -3.31 117.51 125.52 2gdx h ILE 74 Ca 0.00 -1.59 0.14 0.00 -0.39 0.00 0.00 64.86 63.02 2gdx h ILE 74 Cb 0.00 2.08 -0.07 0.00 -3.07 0.00 0.00 36.82 35.76 2gdx h ILE 74 CO 0.00 0.22 0.57 0.50 -0.69 0.00 0.00 178.15 178.75 2gdx h LYS 75 N 0.00 0.67 -0.06 2.37 1.63 -1.93 -0.02 116.57 119.22 2gdx h LYS 75 Ca -0.03 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 2gdx h LYS 75 Cb 1.23 -0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.66 2gdx h LYS 75 CO 0.03 0.44 -0.21 0.00 -3.45 0.00 0.00 179.45 176.26 2gdx h ALA 76 N 1.60 -0.22 0.00 5.00 0.00 -1.92 -1.57 119.26 122.15 2gdx h ALA 76 Ca 0.45 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.27 2gdx h ALA 76 Cb 0.72 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2gdx h ALA 76 CO -0.20 -0.69 -0.53 -0.07 0.00 0.00 0.00 179.25 177.76 2gdx h LEU 77 N -0.30 0.00 -0.03 0.00 3.38 -1.63 -2.97 115.31 113.76 2gdx h LEU 77 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2gdx h LEU 77 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2gdx h LEU 77 CO -0.23 0.53 0.02 0.00 0.09 0.00 0.00 178.44 178.84 2gdx h ALA 78 N 1.47 0.04 -0.01 1.53 0.00 -0.10 0.73 119.26 122.91 2gdx h ALA 78 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2gdx h ALA 78 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2gdx h ALA 78 CO 0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 179.25 178.86 2gdx n GLN 79 N -5.05 1.54 -0.01 0.00 10.64 -0.69 -2.29 117.38 121.52 2gdx n GLN 79 Ca -0.07 -0.83 -0.01 0.00 -1.83 0.00 0.00 57.00 54.27 2gdx n GLN 79 Cb 0.05 -1.48 -0.00 0.00 -0.86 0.00 0.00 30.24 27.94 2gdx n GLN 79 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2gdx n TYR 80 N -0.01 0.00 0.41 2.61 4.02 -1.02 -4.74 117.16 118.43 2gdx n TYR 80 Ca 0.19 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.15 2gdx n TYR 80 Cb 0.33 -0.04 -0.09 0.00 -0.02 0.00 0.00 39.34 39.52 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 -2.67 0.00 -0.88 -0.72 0.24 -0.25 -4.38 118.33 109.68 2gdx n VAL 81 Ca -0.01 -0.23 0.01 0.00 -2.04 0.00 0.00 64.34 62.07 2gdx n VAL 81 Cb 0.04 0.72 0.35 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.54 4.15 0.73 2.33 0.00 0.08 -4.26 120.51 122.00 2gdx n ALA 82 Ca 0.01 -2.01 0.09 0.00 0.00 0.00 0.00 53.44 51.52 2gdx n ALA 82 Cb 0.26 -1.18 0.42 0.00 0.00 0.00 0.00 19.45 18.95 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 0.28 0.62 1.15 0.00 -2.24 -0.97 -1.48 114.28 111.64 2gdx n THR 83 Ca 0.32 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.38 2gdx n THR 83 Cb 1.25 -0.84 0.21 0.00 -2.10 0.00 0.00 70.33 68.85 2gdx n THR 83 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2gdx n ARG 84 N -1.42 1.41 0.00 -0.78 0.63 -1.26 -5.13 116.66 110.12 2gdx n ARG 84 Ca 0.06 -1.05 0.03 0.00 -0.92 0.00 0.00 57.85 55.97 2gdx n ARG 84 Cb 0.19 -1.48 0.02 0.00 0.45 0.00 0.00 32.46 31.64 2gdx n ARG 84 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55