#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdx s GLY 2 N 0.00 2.82 -0.48 3.03 0.00 -1.26 -5.03 107.32 106.39 2gdx s GLY 2 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.80 2gdx s GLY 2 CO 0.00 0.71 0.40 -1.34 0.00 0.00 0.00 173.10 172.86 2gdx s VAL 3 N -1.11 5.02 -0.11 1.40 -7.23 -1.26 -4.67 120.40 112.44 2gdx s VAL 3 Ca 0.33 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2gdx s VAL 3 Cb -0.22 -4.08 0.01 0.00 0.56 0.00 0.00 36.38 32.66 2gdx s VAL 3 CO 0.23 -0.65 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.32 2gdx s THR 4 N 1.58 1.55 0.29 5.32 2.01 -1.26 -5.09 115.64 120.05 2gdx s THR 4 Ca 0.04 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 2gdx s THR 4 Cb -0.26 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 70.75 2gdx s THR 4 CO 0.05 0.45 1.17 -1.61 -0.69 0.00 0.00 174.62 173.99 2gdx s GLU 5 N 0.93 4.54 -0.06 4.92 8.01 -1.26 -4.86 118.70 130.92 2gdx s GLU 5 Ca -0.07 1.95 -0.12 0.00 0.01 0.00 0.00 54.97 56.73 2gdx s GLU 5 Cb -0.15 -3.15 0.02 0.00 -4.31 0.00 0.00 34.13 26.54 2gdx s GLU 5 CO -0.01 0.07 0.29 0.00 0.01 0.00 0.00 175.26 175.61 2gdx s ALA 6 N -1.10 -0.71 -0.71 5.21 0.00 -1.26 -5.06 121.76 118.12 2gdx s ALA 6 Ca 0.46 0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 2gdx s ALA 6 Cb -0.35 -0.22 0.19 0.00 0.00 0.00 0.00 23.12 22.74 2gdx s ALA 6 CO 0.45 -0.19 0.60 -0.65 0.00 0.00 0.00 175.76 175.97 2gdx s GLN 7 N -0.54 3.11 0.00 0.00 -0.21 -1.26 -4.37 119.66 116.39 2gdx s GLN 7 Ca -0.06 -2.41 0.00 0.00 0.02 0.00 0.00 55.36 52.91 2gdx s GLN 7 Cb -0.04 -4.13 0.00 0.00 1.00 0.00 0.00 33.01 29.85 2gdx s GLN 7 CO 0.02 -1.24 0.09 0.98 -2.12 0.00 0.00 175.29 173.01 2gdx n TYR 8 N 3.91 0.00 -2.51 0.91 9.36 -1.26 -5.05 117.16 122.52 2gdx n TYR 8 Ca 0.09 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.91 2gdx n TYR 8 Cb 0.43 0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 39.13 2gdx n TYR 8 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2gdx s VAL 9 N 0.00 3.82 -0.46 2.97 0.11 -1.26 -4.66 120.40 120.91 2gdx s VAL 9 Ca 0.00 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 58.75 2gdx s VAL 9 Cb 0.00 -4.93 0.22 0.00 -1.53 0.00 0.00 36.38 30.15 2gdx s VAL 9 CO 0.00 -1.83 0.90 0.00 -3.33 0.00 0.00 175.10 170.84 2gdx n ALA 10 N 9.43 -2.15 -1.08 1.54 0.00 -1.26 -5.04 120.51 121.94 2gdx n ALA 10 Ca 0.24 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2gdx n ALA 10 Cb 0.50 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.08 2gdx n ALA 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2gdx n PRO 11 N 2.23 1.45 0.00 0.00 -0.05 -1.26 -5.08 135.00 132.29 2gdx n PRO 11 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.57 2gdx n PRO 11 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.07 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 -3.68 0.52 -2.24 -1.26 -5.06 114.28 102.57 2gdx n THR 12 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2gdx n THR 12 Cb 0.00 -1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 67.01 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 -4.78 6.36 0.54 3.42 2.47 -1.26 -4.97 114.94 116.72 2gdx s ASN 13 Ca 0.00 0.41 0.25 0.00 0.42 0.00 0.00 52.86 53.95 2gdx s ASN 13 Cb 0.00 -2.13 1.54 0.00 -1.45 0.00 0.00 41.25 39.21 2gdx s ASN 13 CO 0.00 0.20 2.15 0.00 -3.72 0.00 0.00 177.10 175.73 2gdx h ALA 14 N 6.26 1.52 -0.06 1.71 0.00 -1.98 -1.99 119.26 124.72 2gdx h ALA 14 Ca -0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2gdx h ALA 14 Cb 1.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2gdx h ALA 14 CO 0.72 0.08 -0.07 0.28 0.00 0.00 0.00 179.25 180.26 2gdx h VAL 15 N 0.00 1.39 -0.12 0.00 2.07 -1.99 0.18 116.25 117.78 2gdx h VAL 15 Ca -0.00 -1.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 2gdx h VAL 15 Cb 0.15 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2gdx h VAL 15 CO 0.01 0.35 -0.34 1.05 0.02 0.00 0.00 177.57 178.65 2gdx h GLU 16 N -0.31 0.24 -0.24 1.57 4.11 -1.90 -1.74 114.58 116.31 2gdx h GLU 16 Ca 0.01 -0.10 -0.13 0.00 0.07 0.00 0.00 59.36 59.21 2gdx h GLU 16 Cb 0.59 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2gdx h GLU 16 CO 0.02 0.55 -0.40 0.77 0.07 0.00 0.00 179.01 180.02 2gdx h SER 17 N 0.21 0.59 -0.57 3.06 0.02 -1.34 -2.87 113.55 112.65 2gdx h SER 17 Ca 0.03 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 2gdx h SER 17 Cb 0.71 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2gdx h SER 17 CO 0.05 0.93 0.11 0.50 -1.14 0.00 0.00 176.83 177.29 2gdx h LYS 18 N 0.46 0.93 -0.35 3.45 3.64 -0.28 -1.21 116.57 123.21 2gdx h LYS 18 Ca 0.04 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2gdx h LYS 18 Cb 0.90 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2gdx h LYS 18 CO 0.08 0.88 0.22 1.25 -2.27 0.00 0.00 179.45 179.62 2gdx h LEU 19 N 0.83 0.41 -0.43 5.20 5.85 -1.26 -0.00 115.31 125.92 2gdx h LEU 19 Ca 0.18 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2gdx h LEU 19 Cb 0.39 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2gdx h LEU 19 CO 0.01 0.32 0.11 0.00 -0.34 0.00 0.00 178.44 178.54 2gdx h ALA 20 N 1.11 0.57 -0.49 1.25 0.00 -1.36 -1.24 119.26 119.10 2gdx h ALA 20 Ca 0.13 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2gdx h ALA 20 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2gdx h ALA 20 CO -0.03 0.25 -0.17 0.93 0.00 0.00 0.00 179.25 180.23 2gdx h GLU 21 N 0.56 0.98 -0.08 0.00 4.39 -0.98 -0.24 114.58 119.21 2gdx h GLU 21 Ca 0.14 -0.40 -0.23 0.00 0.34 0.00 0.00 59.36 59.21 2gdx h GLU 21 Cb 0.32 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2gdx h GLU 21 CO 0.00 1.07 -0.87 0.97 -1.16 0.00 0.00 179.01 179.03 2gdx h ILE 22 N 0.83 1.31 -0.28 3.13 -0.00 -0.97 -2.69 117.51 118.85 2gdx h ILE 22 Ca 0.12 -2.14 -0.05 0.00 -0.00 0.00 0.00 64.86 62.78 2gdx h ILE 22 Cb 0.75 2.17 -0.01 0.00 -0.00 0.00 0.00 36.82 39.73 2gdx h ILE 22 CO 0.06 0.66 -0.03 -0.50 -0.00 0.00 0.00 178.15 178.35 2gdx h TRP 23 N 0.41 0.56 -0.10 2.19 4.06 -1.18 -2.58 115.95 119.31 2gdx h TRP 23 Ca -0.07 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.77 2gdx h TRP 23 Cb 1.49 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.51 2gdx h TRP 23 CO 0.08 0.68 0.00 -1.91 -3.56 0.00 0.00 178.44 173.73 2gdx n GLU 24 N -4.56 1.66 0.00 0.49 0.00 -0.11 -0.43 120.64 117.69 2gdx n GLU 24 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 57.16 56.58 2gdx n GLU 24 Cb 0.27 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.11 2gdx n GLU 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2gdx n ARG 25 N 0.10 -0.30 0.00 5.31 5.12 -0.99 -3.17 116.66 122.73 2gdx n ARG 25 Ca 0.05 -0.45 0.00 0.00 -1.93 0.00 0.00 57.85 55.52 2gdx n ARG 25 Cb 0.40 -0.95 0.00 0.00 -1.16 0.00 0.00 32.46 30.75 2gdx n ARG 25 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2gdx n VAL 26 N -0.09 0.00 0.00 1.55 3.14 -0.60 -4.78 118.33 117.55 2gdx n VAL 26 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2gdx n VAL 26 Cb 0.00 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 2gdx n VAL 26 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2gdx n LEU 27 N -1.14 0.93 0.03 6.55 7.94 0.43 -4.84 117.00 126.90 2gdx n LEU 27 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 2gdx n LEU 27 Cb 0.15 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.96 2gdx n LEU 27 CO 0.00 0.00 -0.70 1.23 -1.11 0.00 0.00 177.39 176.81 2gdx h GLY 28 N 0.00 0.36 -3.92 -3.96 0.00 -1.85 -3.49 103.07 90.21 2gdx h GLY 28 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 47.33 46.26 2gdx h GLY 28 CO 0.00 0.81 -0.39 -0.62 0.00 0.00 0.00 176.54 176.34 2gdx n VAL 29 N -3.52 -3.59 -0.01 4.60 0.31 -1.19 -4.97 118.33 109.97 2gdx n VAL 29 Ca -0.29 -0.37 -0.01 0.00 -0.01 0.00 0.00 64.34 63.66 2gdx n VAL 29 Cb 1.06 -4.04 -0.01 0.00 -0.91 0.00 0.00 33.84 29.94 2gdx n VAL 29 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2gdx n SER 30 N -2.14 4.19 -0.06 4.52 7.64 -1.22 -4.99 113.62 121.57 2gdx n SER 30 Ca -0.11 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2gdx n SER 30 Cb 0.58 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 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 3.21 0.86 0.00 0.23 0.00 -1.23 -4.83 105.19 103.43 2gdx n GLY 31 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2gdx n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gdx n ILE 32 N -0.19 0.00 0.00 -0.61 5.41 -1.26 -4.64 119.36 118.07 2gdx n ILE 32 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2gdx n ILE 32 Cb 0.04 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 2gdx n ILE 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gdx n GLY 33 N 2.54 2.20 3.74 7.39 0.00 -1.26 -4.02 105.19 115.79 2gdx n GLY 33 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2gdx n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gdx s ILE 34 N 0.00 4.25 -0.78 -0.61 -1.09 -1.26 -4.40 121.20 117.31 2gdx s ILE 34 Ca 0.00 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.37 2gdx s ILE 34 Cb 0.00 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 2gdx s ILE 34 CO 0.00 0.02 0.67 0.18 -1.23 0.00 0.00 174.94 174.58 2gdx n LEU 35 N 0.17 -3.01 -4.65 2.97 7.99 -1.26 -4.35 117.00 114.87 2gdx n LEU 35 Ca -0.09 -0.35 -0.29 0.00 -0.01 0.00 0.00 56.01 55.27 2gdx n LEU 35 Cb 0.53 -2.05 0.21 0.00 -0.11 0.00 0.00 43.42 42.00 2gdx n LEU 35 CO 0.42 0.32 0.64 -0.62 -1.51 0.00 0.00 177.39 176.64 2gdx s ASP 36 N -3.46 1.72 0.00 -1.43 -1.08 -1.26 -4.85 116.67 106.30 2gdx s ASP 36 Ca 0.20 0.83 0.00 0.00 -0.52 0.00 0.00 52.55 53.06 2gdx s ASP 36 Cb -0.09 -1.23 0.00 0.00 -1.46 0.00 0.00 42.92 40.14 2gdx s ASP 36 CO 0.44 -3.65 0.00 -3.20 0.52 0.00 0.00 175.17 169.28 2gdx n ASN 37 N -4.47 0.00 0.00 -0.34 5.15 -1.26 -4.80 115.26 109.53 2gdx n ASN 37 Ca 0.10 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2gdx n ASN 37 Cb 0.59 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.84 2gdx n ASN 37 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2gdx n PHE 38 N 0.00 0.00 0.00 1.20 1.16 -1.26 -4.67 117.46 113.89 2gdx n PHE 38 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2gdx n PHE 38 Cb 0.05 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.92 2gdx n PHE 38 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2gdx n PHE 39 N -0.88 0.00 0.22 2.97 7.35 -1.26 -2.34 117.46 123.52 2gdx n PHE 39 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 2gdx n PHE 39 Cb 0.00 0.00 0.68 0.00 0.35 0.00 0.00 39.48 40.51 2gdx n PHE 39 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2gdx h GLN 40 N 0.00 0.00 -0.01 -4.13 7.50 -1.92 -1.92 115.11 114.64 2gdx h GLN 40 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2gdx h GLN 40 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2gdx h GLN 40 CO 0.00 0.00 -0.05 1.51 -1.50 0.00 0.00 178.83 178.79 2gdx n ILE 41 N -4.43 0.00 0.00 2.54 0.13 -1.26 -0.80 119.36 115.54 2gdx n ILE 41 Ca -0.01 -0.48 0.00 0.00 -1.10 0.00 0.00 62.75 61.16 2gdx n ILE 41 Cb 0.17 1.10 0.00 0.00 -0.84 0.00 0.00 39.64 40.07 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 0.49 0.63 0.00 4.50 0.00 -0.72 -4.57 105.19 105.52 2gdx n GLY 42 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2gdx n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gdx n GLY 43 N 3.60 1.62 3.64 -0.02 0.00 -0.99 -4.47 105.19 108.57 2gdx n GLY 43 Ca 0.00 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2gdx n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gdx s HIS 44 N 0.88 3.30 0.81 1.61 -3.43 -1.26 -4.82 115.29 112.37 2gdx s HIS 44 Ca 0.00 0.39 -0.13 0.00 -0.80 0.00 0.00 55.06 54.51 2gdx s HIS 44 Cb 0.00 -2.45 0.18 0.00 -1.43 0.00 0.00 32.58 28.88 2gdx s HIS 44 CO 0.00 -0.07 1.10 -1.13 -2.00 0.00 0.00 174.74 172.63 2gdx n SER 45 N 4.75 0.11 -2.19 7.38 3.41 -1.26 -4.95 113.62 120.88 2gdx n SER 45 Ca -0.11 -1.41 -0.21 0.00 -0.26 0.00 0.00 58.87 56.88 2gdx n SER 45 Cb 0.51 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 2gdx n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gdx n LEU 46 N 0.00 6.35 -4.42 1.04 -0.00 -1.26 -4.72 117.00 114.00 2gdx n LEU 46 Ca 0.14 -3.65 -0.21 0.00 -0.00 0.00 0.00 56.01 52.29 2gdx n LEU 46 Cb 0.48 -1.17 -0.10 0.00 -0.00 0.00 0.00 43.42 42.62 2gdx n LEU 46 CO 0.35 1.51 -0.38 -0.54 -0.00 0.00 0.00 177.39 178.32 2gdx s LYS 47 N -1.51 1.52 0.16 1.47 1.02 -1.26 -5.05 119.74 116.09 2gdx s LYS 47 Ca 0.47 -1.75 -0.12 0.00 0.02 0.00 0.00 55.97 54.59 2gdx s LYS 47 Cb 0.31 -1.18 0.05 0.00 -0.52 0.00 0.00 37.83 36.50 2gdx s LYS 47 CO -0.11 0.08 1.66 0.00 -0.92 0.00 0.00 175.35 176.05 2gdx h ALA 48 N 2.33 0.74 -0.45 5.17 0.00 -2.00 -2.43 119.26 122.61 2gdx h ALA 48 Ca -0.40 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2gdx h ALA 48 Cb 1.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2gdx h ALA 48 CO 0.66 0.47 0.28 1.98 0.00 0.00 0.00 179.25 182.64 2gdx h MET 49 N 0.81 0.60 -0.36 0.00 -1.53 -1.96 0.05 114.93 112.54 2gdx h MET 49 Ca 0.17 -0.04 -0.15 0.00 -3.44 0.00 0.00 59.70 56.23 2gdx h MET 49 Cb 0.39 -0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 31.30 2gdx h MET 49 CO 0.01 0.42 -0.38 0.00 0.14 0.00 0.00 176.91 177.09 2gdx h ALA 50 N 1.69 0.53 -0.13 0.39 0.00 -1.75 -0.70 119.26 119.29 2gdx h ALA 50 Ca 0.16 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 2gdx h ALA 50 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2gdx h ALA 50 CO -0.03 0.63 -0.59 -0.24 0.00 0.00 0.00 179.25 179.01 2gdx h VAL 51 N 0.69 1.35 0.00 0.00 3.04 -0.98 -2.23 116.25 118.12 2gdx h VAL 51 Ca 0.05 -1.89 -0.14 0.00 -1.01 0.00 0.00 66.70 63.71 2gdx h VAL 51 Cb 0.97 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 32.12 2gdx h VAL 51 CO 0.09 0.57 -0.66 0.00 -1.01 0.00 0.00 177.57 176.56 2gdx h ALA 52 N 1.05 0.90 -0.12 3.17 0.00 -0.93 -2.91 119.26 120.42 2gdx h ALA 52 Ca -0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 54.91 54.08 2gdx h ALA 52 Cb 1.12 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2gdx h ALA 52 CO 0.10 0.83 -0.80 0.00 0.00 0.00 0.00 179.25 179.38 2gdx h ALA 53 N 1.34 0.36 -0.38 0.00 0.00 -0.97 -2.80 119.26 116.79 2gdx h ALA 53 Ca -0.01 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 2gdx h ALA 53 Cb 1.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2gdx h ALA 53 CO 0.09 0.71 -0.30 -0.56 0.00 0.00 0.00 179.25 179.19 2gdx h GLN 54 N 0.46 0.83 -0.72 0.00 3.07 -1.36 -2.54 115.11 114.85 2gdx h GLN 54 Ca -0.06 -0.38 0.00 0.00 0.09 0.00 0.00 58.65 58.30 2gdx h GLN 54 Cb 1.42 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.97 2gdx h GLN 54 CO 0.16 1.02 0.00 1.33 0.09 0.00 0.00 178.83 181.43 2gdx n VAL 55 N -4.08 1.74 0.29 1.86 0.24 -1.11 -3.90 118.33 113.38 2gdx n VAL 55 Ca -0.01 -0.89 0.12 0.00 -2.04 0.00 0.00 64.34 61.51 2gdx n VAL 55 Cb 0.49 -0.33 0.09 0.00 -1.47 0.00 0.00 33.84 32.61 2gdx n VAL 55 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2gdx h HIS 56 N 2.59 0.00 0.00 6.34 6.17 -1.17 -3.41 115.15 125.68 2gdx h HIS 56 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2gdx h HIS 56 Cb 1.43 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.36 2gdx h HIS 56 CO 0.70 0.00 -0.42 0.54 0.71 0.00 0.00 177.93 179.46 2gdx n ARG 57 N -2.52 0.22 0.00 5.26 1.74 -1.25 -5.10 116.66 115.01 2gdx n ARG 57 Ca 0.02 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2gdx n ARG 57 Cb 0.51 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 2gdx n ARG 57 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2gdx n GLU 58 N -3.51 0.00 -1.23 5.56 -0.58 -1.26 -5.01 120.64 114.60 2gdx n GLU 58 Ca -0.06 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.32 2gdx n GLU 58 Cb 0.22 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.06 2gdx n GLU 58 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2gdx n TYR 59 N 0.00 2.31 -3.94 -0.32 4.01 -1.26 -4.47 117.16 113.49 2gdx n TYR 59 Ca 0.00 -2.51 -0.31 0.00 -0.16 0.00 0.00 57.90 54.92 2gdx n TYR 59 Cb 0.00 -2.14 -0.14 0.00 -0.31 0.00 0.00 39.34 36.75 2gdx n TYR 59 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2gdx s GLN 60 N 3.32 1.95 -0.09 -0.72 0.74 -1.26 -4.93 119.66 118.66 2gdx s GLN 60 Ca 0.54 -2.47 -0.09 0.00 0.05 0.00 0.00 55.36 53.38 2gdx s GLN 60 Cb 0.14 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.86 2gdx s GLN 60 CO -0.03 -1.09 -0.19 0.28 -0.55 0.00 0.00 175.29 173.72 2gdx n VAL 61 N 3.36 1.14 0.18 1.34 0.31 -1.26 -4.46 118.33 118.95 2gdx n VAL 61 Ca 0.05 0.06 -0.07 0.00 -0.01 0.00 0.00 64.34 64.37 2gdx n VAL 61 Cb 0.34 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 2gdx n VAL 61 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2gdx h GLU 62 N -0.54 -0.46 -4.76 5.55 3.07 -1.99 -3.42 114.58 112.04 2gdx h GLU 62 Ca -0.16 0.03 -0.69 0.00 -0.50 0.00 0.00 59.36 58.04 2gdx h GLU 62 Cb 0.87 0.10 -0.30 0.00 -0.84 0.00 0.00 28.75 28.59 2gdx h GLU 62 CO -0.10 -0.30 -0.66 -0.51 -1.40 0.00 0.00 179.01 176.04 2gdx s LEU 63 N -6.42 3.93 0.07 1.33 1.43 -1.26 -4.83 118.68 112.93 2gdx s LEU 63 Ca -0.07 -1.06 -0.31 0.00 -1.03 0.00 0.00 54.13 51.66 2gdx s LEU 63 Cb 0.01 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.36 2gdx s LEU 63 CO 0.21 -0.25 1.44 -2.84 0.23 0.00 0.00 176.35 175.13 2gdx s PRO 64 N 1.36 4.29 -0.39 1.29 0.02 -1.26 -5.00 135.00 135.31 2gdx s PRO 64 Ca -0.02 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.11 2gdx s PRO 64 Cb -0.19 -3.41 0.11 0.00 0.02 0.00 0.00 34.50 31.03 2gdx s PRO 64 CO 0.00 -0.53 0.14 -1.17 -0.33 0.00 0.00 177.00 175.11 2gdx s LEU 65 N 1.79 3.87 -1.01 -5.54 2.96 -1.26 -4.68 118.68 114.81 2gdx s LEU 65 Ca 0.66 -2.33 -0.10 0.00 -0.22 0.00 0.00 54.13 52.14 2gdx s LEU 65 Cb -0.35 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2gdx s LEU 65 CO 0.29 -0.34 0.81 1.17 -1.32 0.00 0.00 176.35 176.96 2gdx n LYS 66 N 4.00 -1.61 0.00 1.98 4.81 -1.26 -4.93 118.16 121.15 2gdx n LYS 66 Ca 0.04 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2gdx n LYS 66 Cb 0.39 -4.90 0.00 0.00 0.02 0.00 0.00 35.03 30.53 2gdx n LYS 66 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2gdx n VAL 67 N -3.28 0.00 0.01 3.15 3.14 -1.26 -5.03 118.33 115.05 2gdx n VAL 67 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2gdx n VAL 67 Cb 0.59 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 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 -1.08 -0.09 -4.93 6.55 7.94 -1.26 -5.02 117.00 119.10 2gdx n LEU 68 Ca 0.00 0.07 -0.20 0.00 -1.11 0.00 0.00 56.01 54.77 2gdx n LEU 68 Cb 0.19 0.21 -0.01 0.00 0.53 0.00 0.00 43.42 44.35 2gdx n LEU 68 CO 0.00 -0.07 0.09 -0.36 -1.11 0.00 0.00 177.39 175.94 2gdx s PHE 69 N -2.00 2.41 -1.28 1.96 0.08 -1.26 -4.69 117.98 113.20 2gdx s PHE 69 Ca 0.00 -0.55 -0.06 0.00 0.12 0.00 0.00 56.93 56.45 2gdx s PHE 69 Cb 0.00 -2.19 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2gdx s PHE 69 CO 0.00 -0.38 1.10 0.00 -0.10 0.00 0.00 175.22 175.84 2gdx n ALA 70 N -1.74 -1.54 0.00 5.36 0.00 0.02 -4.07 120.51 118.53 2gdx n ALA 70 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2gdx n ALA 70 Cb 0.61 -4.33 0.00 0.00 0.00 0.00 0.00 19.45 15.73 2gdx n ALA 70 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2gdx n GLN 71 N -4.62 0.00 -0.09 0.00 -0.06 -0.52 -4.02 117.38 108.07 2gdx n GLN 71 Ca -0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.89 2gdx n GLN 71 Cb 0.60 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.79 2gdx n GLN 71 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2gdx n PRO 72 N 0.00 1.11 -0.80 3.69 -0.04 -1.26 -4.32 135.00 133.37 2gdx n PRO 72 Ca 0.00 -0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 2gdx n PRO 72 Cb 0.00 -1.13 0.03 0.00 -0.04 0.00 0.00 33.50 32.36 2gdx n PRO 72 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2gdx n THR 73 N 0.35 2.59 -0.33 0.52 -1.04 -1.26 -4.59 114.28 110.51 2gdx n THR 73 Ca 0.04 -1.39 0.03 0.00 -2.04 0.00 0.00 64.05 60.69 2gdx n THR 73 Cb 0.56 -1.36 0.21 0.00 -1.82 0.00 0.00 70.33 67.92 2gdx n THR 73 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 2gdx h ILE 74 N 0.98 1.09 -0.49 12.58 -0.00 -1.91 0.03 117.51 129.79 2gdx h ILE 74 Ca 0.23 -0.38 -0.05 0.00 -0.00 0.00 0.00 64.86 64.66 2gdx h ILE 74 Cb 0.95 -0.12 -0.02 0.00 -0.00 0.00 0.00 36.82 37.63 2gdx h ILE 74 CO 0.59 0.20 0.10 0.07 -0.00 0.00 0.00 178.15 179.12 2gdx h LYS 75 N 1.11 0.79 -0.27 0.16 2.10 -1.98 -0.10 116.57 118.38 2gdx h LYS 75 Ca 0.41 -0.20 -0.09 0.00 -2.00 0.00 0.00 60.65 58.77 2gdx h LYS 75 Cb 0.17 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 2gdx h LYS 75 CO -0.15 0.78 -0.16 0.00 -2.00 0.00 0.00 179.45 177.91 2gdx h ALA 76 N 0.98 0.38 -0.50 0.07 0.00 -1.75 -2.91 119.26 115.52 2gdx h ALA 76 Ca 0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2gdx h ALA 76 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2gdx h ALA 76 CO 0.01 0.29 0.15 -0.07 0.00 0.00 0.00 179.25 179.62 2gdx h LEU 77 N 0.32 0.75 0.00 0.00 3.38 -0.87 0.61 115.31 119.49 2gdx h LEU 77 Ca 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2gdx h LEU 77 Cb 0.69 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2gdx h LEU 77 CO 0.05 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.34 2gdx n ALA 78 N -2.37 2.11 -0.08 1.53 0.00 -0.06 -1.84 120.51 119.80 2gdx n ALA 78 Ca 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 2gdx n ALA 78 Cb 0.21 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 2gdx n ALA 78 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2gdx n GLN 79 N -1.23 0.45 -0.01 0.00 -0.06 -0.77 -4.33 117.38 111.44 2gdx n GLN 79 Ca 0.11 0.19 -0.17 0.00 -2.00 0.00 0.00 57.00 55.12 2gdx n GLN 79 Cb 0.15 -1.29 -0.09 0.00 -4.06 0.00 0.00 30.24 24.95 2gdx n GLN 79 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 2gdx h TYR 80 N -0.84 0.83 -0.57 3.69 0.05 -0.95 -3.26 116.97 115.92 2gdx h TYR 80 Ca -0.14 -0.39 -0.30 0.00 0.05 0.00 0.00 58.73 57.95 2gdx h TYR 80 Cb 0.99 -0.12 -0.18 0.00 1.01 0.00 0.00 36.73 38.44 2gdx h TYR 80 CO -0.29 1.19 0.15 0.28 -1.05 0.00 0.00 178.16 178.44 2gdx n VAL 81 N -4.11 2.78 -2.24 -2.88 0.31 -0.77 -4.31 118.33 107.11 2gdx n VAL 81 Ca -0.09 -2.53 -0.02 0.00 -0.01 0.00 0.00 64.34 61.69 2gdx n VAL 81 Cb 0.68 -0.39 -0.03 0.00 -0.91 0.00 0.00 33.84 33.20 2gdx n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gdx n ALA 82 N -1.13 3.12 0.07 3.52 0.00 -1.23 -4.90 120.51 119.97 2gdx n ALA 82 Ca 0.42 -1.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.31 2gdx n ALA 82 Cb 1.23 -0.53 -0.00 0.00 0.00 0.00 0.00 19.45 20.15 2gdx n ALA 82 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2gdx h THR 83 N 5.87 1.44 -3.41 0.00 1.35 -1.75 -3.46 112.91 112.95 2gdx h THR 83 Ca -0.41 -2.44 -0.37 0.00 -0.55 0.00 0.00 66.41 62.64 2gdx h THR 83 Cb 1.62 2.36 0.02 0.00 -1.73 0.00 0.00 68.15 70.42 2gdx h THR 83 CO -0.11 0.72 -0.51 -1.14 -0.25 0.00 0.00 175.52 174.23 2gdx n ARG 84 N -3.73 -3.11 0.00 4.72 0.00 -1.26 -5.17 116.66 108.12 2gdx n ARG 84 Ca -0.05 0.85 0.01 0.00 -0.00 0.00 0.00 57.85 58.67 2gdx n ARG 84 Cb 0.79 -5.45 0.01 0.00 0.00 0.00 0.00 32.46 27.81 2gdx n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06