#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 1.61 3.55 3.17 0.00 -1.26 -4.94 105.19 107.32 2gdx n GLY 2 Ca 0.00 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2gdx n GLY 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gdx s VAL 3 N -0.28 3.28 -1.26 1.61 1.01 -1.26 -4.89 120.40 118.60 2gdx s VAL 3 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 2gdx s VAL 3 Cb 0.00 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.74 2gdx s VAL 3 CO 0.00 -0.71 1.64 0.42 0.00 0.00 0.00 175.10 176.45 2gdx s THR 4 N 9.81 4.32 -0.30 3.92 -4.23 -1.26 -4.78 115.64 123.13 2gdx s THR 4 Ca 0.74 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 2gdx s THR 4 Cb -0.13 -5.12 0.18 0.00 1.34 0.00 0.00 72.50 68.77 2gdx s THR 4 CO 0.21 -1.92 1.22 -0.70 -0.54 0.00 0.00 174.62 172.89 2gdx s GLU 5 N 3.65 0.07 -0.82 3.99 2.12 -1.26 -4.73 118.70 121.72 2gdx s GLU 5 Ca 0.51 0.16 -0.11 0.00 0.36 0.00 0.00 54.97 55.89 2gdx s GLU 5 Cb 0.02 0.09 0.21 0.00 0.26 0.00 0.00 34.13 34.72 2gdx s GLU 5 CO 0.05 -0.05 0.74 0.00 -0.54 0.00 0.00 175.26 175.46 2gdx s ALA 6 N 2.53 4.07 -1.14 6.30 0.00 0.62 -4.97 121.76 129.17 2gdx s ALA 6 Ca -0.04 -3.40 -0.18 0.00 0.00 0.00 0.00 51.96 48.34 2gdx s ALA 6 Cb -0.05 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2gdx s ALA 6 CO -0.12 -2.23 2.04 1.04 0.00 0.00 0.00 175.76 176.49 2gdx n GLN 7 N 3.65 2.24 -0.61 0.00 1.13 -1.26 -3.74 117.38 118.79 2gdx n GLN 7 Ca 0.14 -2.33 -0.02 0.00 -1.94 0.00 0.00 57.00 52.85 2gdx n GLN 7 Cb 0.44 -3.18 -0.02 0.00 0.11 0.00 0.00 30.24 27.59 2gdx n GLN 7 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2gdx n TYR 8 N 7.41 0.00 -1.34 1.08 9.36 -1.26 -5.04 117.16 127.38 2gdx n TYR 8 Ca 0.50 -0.15 -0.38 0.00 3.32 0.00 0.00 57.90 61.19 2gdx n TYR 8 Cb 0.41 0.32 -0.02 0.00 -0.63 0.00 0.00 39.34 39.41 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 0.00 3.15 -3.20 2.97 0.31 -1.25 -4.42 118.33 115.89 2gdx n VAL 9 Ca -0.08 -2.34 -0.24 0.00 -0.01 0.00 0.00 64.34 61.67 2gdx n VAL 9 Cb 0.51 -2.47 -0.07 0.00 -0.91 0.00 0.00 33.84 30.89 2gdx n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gdx n ALA 10 N 5.45 2.49 -1.75 3.52 0.00 -1.26 -5.14 120.51 123.83 2gdx n ALA 10 Ca 0.57 -3.43 -0.38 0.00 0.00 0.00 0.00 53.44 50.20 2gdx n ALA 10 Cb 0.31 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 18.99 2gdx n ALA 10 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2gdx s PRO 11 N -1.18 3.12 0.17 0.00 0.02 -1.26 -4.94 135.00 130.93 2gdx s PRO 11 Ca 0.35 2.20 0.10 0.00 0.02 0.00 0.00 61.00 63.67 2gdx s PRO 11 Cb 0.16 -2.23 -0.11 0.00 0.02 0.00 0.00 34.50 32.34 2gdx s PRO 11 CO -0.11 -1.19 1.32 1.79 -0.33 0.00 0.00 177.00 178.47 2gdx h THR 12 N 1.39 1.38 -4.08 0.99 1.35 -1.98 -3.45 112.91 108.51 2gdx h THR 12 Ca -0.51 -2.97 -0.59 0.00 -0.55 0.00 0.00 66.41 61.79 2gdx h THR 12 Cb 1.30 2.68 -0.24 0.00 -1.73 0.00 0.00 68.15 70.16 2gdx h THR 12 CO 0.57 0.79 -0.84 0.21 -0.25 0.00 0.00 175.52 175.99 2gdx s ASN 13 N -6.59 2.64 0.60 5.36 3.84 -1.26 -5.02 114.94 114.50 2gdx s ASN 13 Ca 0.02 -0.60 0.37 0.00 0.21 0.00 0.00 52.86 52.85 2gdx s ASN 13 Cb 0.09 -0.19 1.90 0.00 -0.55 0.00 0.00 41.25 42.49 2gdx s ASN 13 CO 0.79 0.14 2.20 0.00 -2.79 0.00 0.00 177.10 177.44 2gdx h ALA 14 N 4.51 1.11 -0.46 1.71 0.00 -2.00 -1.13 119.26 123.00 2gdx h ALA 14 Ca -0.45 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2gdx h ALA 14 Cb 1.17 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2gdx h ALA 14 CO 0.42 0.04 -0.11 0.28 0.00 0.00 0.00 179.25 179.87 2gdx h VAL 15 N 0.00 1.26 -0.16 0.00 2.07 -1.98 -2.15 116.25 115.28 2gdx h VAL 15 Ca -0.00 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 66.18 2gdx h VAL 15 Cb 0.20 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2gdx h VAL 15 CO 0.00 0.41 -0.51 -0.33 0.02 0.00 0.00 177.57 177.17 2gdx h GLU 16 N 0.75 0.44 -0.30 1.57 5.08 -1.59 -0.04 114.58 120.48 2gdx h GLU 16 Ca 0.12 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2gdx h GLU 16 Cb 0.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2gdx h GLU 16 CO 0.04 0.84 -0.20 0.77 -1.00 0.00 0.00 179.01 179.47 2gdx h SER 17 N 0.34 0.54 -0.13 1.42 0.02 -1.38 -1.28 113.55 113.08 2gdx h SER 17 Ca 0.01 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.66 2gdx h SER 17 Cb 1.01 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2gdx h SER 17 CO 0.09 0.75 -0.44 0.50 -1.14 0.00 0.00 176.83 176.59 2gdx h LYS 18 N 0.49 0.52 -0.42 3.45 1.63 -1.08 -2.82 116.57 118.34 2gdx h LYS 18 Ca 0.08 -0.39 0.05 0.00 -0.85 0.00 0.00 60.65 59.54 2gdx h LYS 18 Cb 0.62 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.27 2gdx h LYS 18 CO 0.04 1.01 0.14 1.25 -3.45 0.00 0.00 179.45 178.44 2gdx h LEU 19 N 0.13 0.13 0.36 5.20 5.85 -0.85 -1.93 115.31 124.20 2gdx h LEU 19 Ca -0.02 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2gdx h LEU 19 Cb 1.07 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2gdx h LEU 19 CO 0.09 0.11 -0.27 0.00 -0.34 0.00 0.00 178.44 178.03 2gdx h ALA 20 N 1.28 -0.62 -0.75 1.25 0.00 -1.20 -0.90 119.26 118.31 2gdx h ALA 20 Ca 0.20 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2gdx h ALA 20 Cb 0.20 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2gdx h ALA 20 CO -0.21 -0.87 0.46 1.49 0.00 0.00 0.00 179.25 180.12 2gdx h GLU 21 N -0.62 0.84 0.30 0.00 4.81 -1.29 0.31 114.58 118.93 2gdx h GLU 21 Ca -0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2gdx h GLU 21 Cb 0.54 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2gdx h GLU 21 CO -0.00 0.56 -0.15 0.82 -0.73 0.00 0.00 179.01 179.51 2gdx h ILE 22 N 0.87 0.61 -0.36 2.32 2.04 -1.24 -2.82 117.51 118.93 2gdx h ILE 22 Ca 0.32 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 2gdx h ILE 22 Cb 0.10 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2gdx h ILE 22 CO -0.14 0.13 -0.09 -0.50 0.00 0.00 0.00 178.15 177.54 2gdx h TRP 23 N -0.88 0.67 -0.26 1.37 -0.00 -1.07 -2.84 115.95 112.94 2gdx h TRP 23 Ca -0.04 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.89 58.73 2gdx h TRP 23 Cb 0.52 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.49 2gdx h TRP 23 CO 0.04 0.69 0.09 1.49 -0.00 0.00 0.00 178.44 180.75 2gdx h GLU 24 N 0.57 0.39 0.00 0.49 4.57 -1.01 0.19 114.58 119.78 2gdx h GLU 24 Ca 0.11 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2gdx h GLU 24 Cb 0.50 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2gdx h GLU 24 CO 0.03 0.45 0.00 2.89 -1.18 0.00 0.00 179.01 181.19 2gdx n ARG 25 N -4.76 0.34 -0.04 1.92 1.85 -1.06 0.44 116.66 115.34 2gdx n ARG 25 Ca -0.03 0.08 -0.06 0.00 -1.00 0.00 0.00 57.85 56.84 2gdx n ARG 25 Cb 0.14 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.03 2gdx n ARG 25 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2gdx n VAL 26 N -1.27 1.35 -0.08 8.89 0.31 -0.99 -4.89 118.33 121.65 2gdx n VAL 26 Ca 0.11 0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.57 2gdx n VAL 26 Cb 0.17 -2.07 -0.09 0.00 -0.91 0.00 0.00 33.84 30.93 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 -4.08 1.57 0.00 7.52 0.00 0.62 -4.83 117.00 117.81 2gdx n LEU 27 Ca -0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 56.01 55.87 2gdx n LEU 27 Cb 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 43.42 43.60 2gdx n LEU 27 CO 0.14 0.57 0.07 1.23 0.00 0.00 0.00 177.39 179.40 2gdx h GLY 28 N 1.96 -0.00 -5.81 -3.96 0.00 -1.16 -3.49 103.07 90.60 2gdx h GLY 28 Ca -0.38 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.61 2gdx h GLY 28 CO -0.02 -0.00 -0.84 -0.62 0.00 0.00 0.00 176.54 175.05 2gdx n VAL 29 N -2.05 -6.52 0.00 4.60 0.31 0.17 -4.81 118.33 110.03 2gdx n VAL 29 Ca -0.00 -0.84 0.00 0.00 -0.01 0.00 0.00 64.34 63.49 2gdx n VAL 29 Cb 0.00 -5.01 0.00 0.00 -0.91 0.00 0.00 33.84 27.93 2gdx n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2gdx n SER 30 N -3.06 0.00 0.00 4.52 3.41 -1.26 -5.07 113.62 112.16 2gdx n SER 30 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2gdx n SER 30 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2gdx n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gdx n GLY 31 N -0.68 0.38 2.84 5.00 0.00 -1.26 -4.82 105.19 106.65 2gdx n GLY 31 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 2gdx n GLY 31 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gdx n ILE 32 N 0.00 0.00 0.00 -0.61 -5.35 -1.26 -0.28 119.36 111.86 2gdx n ILE 32 Ca 0.00 -2.02 0.00 0.00 -0.27 0.00 0.00 62.75 60.46 2gdx n ILE 32 Cb 0.00 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 2gdx n ILE 32 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gdx n GLY 33 N -0.34 1.72 2.10 3.28 0.00 -1.26 -4.25 105.19 106.44 2gdx n GLY 33 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2gdx n GLY 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gdx n ILE 34 N 0.00 0.00 -2.56 -0.61 -5.35 -1.26 -3.23 119.36 106.36 2gdx n ILE 34 Ca 0.00 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.50 2gdx n ILE 34 Cb 0.00 -0.04 0.02 0.00 -1.74 0.00 0.00 39.64 37.89 2gdx n ILE 34 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gdx n LEU 35 N -2.98 0.90 0.00 7.28 -0.00 -1.26 -4.84 117.00 116.10 2gdx n LEU 35 Ca 0.00 -2.32 0.07 0.00 -0.00 0.00 0.00 56.01 53.76 2gdx n LEU 35 Cb 0.00 0.13 0.40 0.00 -0.00 0.00 0.00 43.42 43.95 2gdx n LEU 35 CO 0.00 0.77 0.61 -0.90 -0.00 0.00 0.00 177.39 177.87 2gdx n ASP 36 N 0.09 0.00 0.00 1.45 5.75 -1.26 -4.86 116.55 117.72 2gdx n ASP 36 Ca 0.03 -0.58 0.00 0.00 -0.01 0.00 0.00 54.79 54.23 2gdx n ASP 36 Cb 1.01 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.10 2gdx n ASP 36 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2gdx n ASN 37 N -0.92 0.00 0.29 -1.12 2.85 -1.26 -4.42 115.26 110.68 2gdx n ASN 37 Ca 0.10 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.73 2gdx n ASN 37 Cb 0.05 0.00 0.84 0.00 1.24 0.00 0.00 39.78 41.91 2gdx n ASN 37 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 2gdx h PHE 38 N 0.00 0.00 0.00 1.20 -0.00 -1.90 0.25 116.94 116.48 2gdx h PHE 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2gdx h PHE 38 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2gdx h PHE 38 CO 0.00 0.06 -1.28 0.34 -0.00 0.00 0.00 178.31 177.43 2gdx n PHE 39 N -3.40 0.00 0.42 6.09 7.35 -1.26 -4.57 117.46 122.08 2gdx n PHE 39 Ca -0.02 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.73 2gdx n PHE 39 Cb 0.21 -0.20 0.06 0.00 0.35 0.00 0.00 39.48 39.89 2gdx n PHE 39 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2gdx n GLN 40 N -1.75 0.80 0.08 -4.13 1.13 -0.81 -2.89 117.38 109.81 2gdx n GLN 40 Ca -0.01 -1.26 0.05 0.00 -1.94 0.00 0.00 57.00 53.84 2gdx n GLN 40 Cb 0.29 -1.22 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 2gdx n GLN 40 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 2gdx h ILE 41 N 2.23 0.30 0.00 5.09 6.09 -0.62 -3.28 117.51 127.33 2gdx h ILE 41 Ca 0.00 -1.57 0.00 0.00 -1.37 0.00 0.00 64.86 61.92 2gdx h ILE 41 Cb 0.50 1.85 0.00 0.00 0.47 0.00 0.00 36.82 39.64 2gdx h ILE 41 CO 0.00 0.17 0.00 0.61 -3.07 0.00 0.00 178.15 175.86 2gdx n GLY 42 N 1.29 -0.95 3.71 8.18 0.00 -0.81 -4.73 105.19 111.88 2gdx n GLY 42 Ca -0.04 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 1.75 -0.38 -0.02 0.00 -0.86 -4.93 107.32 102.87 2gdx s GLY 43 Ca 0.00 1.20 0.11 0.00 0.00 0.00 0.00 44.72 46.03 2gdx s GLY 43 CO 0.00 2.55 0.82 1.57 0.00 0.00 0.00 173.10 178.04 2gdx n HIS 44 N 4.36 -0.35 -1.79 1.90 -0.00 -1.26 -4.77 115.22 113.30 2gdx n HIS 44 Ca 0.13 -3.44 -0.28 0.00 0.46 0.00 0.00 57.72 54.59 2gdx n HIS 44 Cb 0.41 -0.02 0.20 0.00 -0.12 0.00 0.00 29.99 30.45 2gdx n HIS 44 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2gdx n SER 45 N 0.27 -0.11 -3.51 0.26 3.41 -1.26 -5.00 113.62 107.68 2gdx n SER 45 Ca 0.20 -1.43 -0.36 0.00 -0.26 0.00 0.00 58.87 57.03 2gdx n SER 45 Cb 0.68 -0.97 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 2gdx n SER 45 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gdx n LEU 46 N 0.00 6.08 -4.34 1.04 4.32 -1.26 -4.67 117.00 118.16 2gdx n LEU 46 Ca 0.16 -5.44 -0.18 0.00 -0.02 0.00 0.00 56.01 50.53 2gdx n LEU 46 Cb 0.55 -0.98 -0.10 0.00 -1.62 0.00 0.00 43.42 41.27 2gdx n LEU 46 CO 0.40 2.06 -0.33 -0.75 -1.22 0.00 0.00 177.39 177.55 2gdx s LYS 47 N -3.63 1.37 0.23 3.23 2.47 -1.26 -5.03 119.74 117.12 2gdx s LYS 47 Ca 0.40 -1.70 -0.08 0.00 -1.56 0.00 0.00 55.97 53.04 2gdx s LYS 47 Cb 0.18 -0.66 0.25 0.00 -1.46 0.00 0.00 37.83 36.14 2gdx s LYS 47 CO -0.07 -0.09 1.87 0.00 0.16 0.00 0.00 175.35 177.21 2gdx h ALA 48 N 2.44 1.08 -0.69 3.13 0.00 -1.99 -0.68 119.26 122.55 2gdx h ALA 48 Ca -0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2gdx h ALA 48 Cb 1.22 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2gdx h ALA 48 CO 0.65 0.34 0.30 1.98 0.00 0.00 0.00 179.25 182.52 2gdx h MET 49 N 1.01 1.00 -0.14 0.00 -1.53 -1.98 -1.96 114.93 111.33 2gdx h MET 49 Ca 0.33 -0.15 -0.08 0.00 -3.44 0.00 0.00 59.70 56.35 2gdx h MET 49 Cb 0.02 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 30.90 2gdx h MET 49 CO -0.12 0.79 -0.24 0.00 0.14 0.00 0.00 176.91 177.48 2gdx h ALA 50 N 1.34 0.22 0.00 0.39 0.00 -1.54 -2.90 119.26 116.77 2gdx h ALA 50 Ca 0.23 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2gdx h ALA 50 Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2gdx h ALA 50 CO -0.02 0.20 -0.13 -0.39 0.00 0.00 0.00 179.25 178.90 2gdx h VAL 51 N 0.03 0.33 -0.53 0.00 -1.51 -1.13 -2.00 116.25 111.44 2gdx h VAL 51 Ca 0.01 -0.85 -0.09 0.00 -1.23 0.00 0.00 66.70 64.54 2gdx h VAL 51 Cb 0.82 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 31.60 2gdx h VAL 51 CO 0.06 0.13 -0.03 0.00 -1.23 0.00 0.00 177.57 176.49 2gdx h ALA 52 N 1.87 0.95 -0.32 5.19 0.00 -1.21 -1.74 119.26 124.00 2gdx h ALA 52 Ca -0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 2gdx h ALA 52 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2gdx h ALA 52 CO 0.02 0.63 -0.42 0.00 0.00 0.00 0.00 179.25 179.48 2gdx h ALA 53 N 1.11 0.65 0.60 0.00 0.00 -1.20 -2.87 119.26 117.55 2gdx h ALA 53 Ca 0.15 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2gdx h ALA 53 Cb 0.54 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2gdx h ALA 53 CO 0.03 0.67 -0.29 0.37 0.00 0.00 0.00 179.25 180.03 2gdx h GLN 54 N 0.65 -0.78 0.00 0.00 4.15 -1.12 -2.40 115.11 115.60 2gdx h GLN 54 Ca 0.05 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2gdx h GLN 54 Cb 0.99 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2gdx h GLN 54 CO 0.09 -0.51 0.00 0.28 -1.93 0.00 0.00 178.83 176.76 2gdx n VAL 55 N -5.43 0.00 1.00 2.39 0.31 -0.68 -2.17 118.33 113.75 2gdx n VAL 55 Ca -0.13 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.32 2gdx n VAL 55 Cb 0.33 -0.05 0.31 0.00 -0.91 0.00 0.00 33.84 33.52 2gdx n VAL 55 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2gdx n HIS 56 N -0.51 0.00 -0.86 3.52 -0.00 -0.90 -3.83 115.22 112.64 2gdx n HIS 56 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2gdx n HIS 56 Cb 0.00 -0.28 0.00 0.00 -0.12 0.00 0.00 29.99 29.59 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 -1.49 0.39 0.00 1.57 0.63 -1.02 -5.00 116.66 111.74 2gdx n ARG 57 Ca 0.06 -0.61 0.00 0.00 -0.92 0.00 0.00 57.85 56.38 2gdx n ARG 57 Cb 0.34 -0.57 0.00 0.00 0.45 0.00 0.00 32.46 32.68 2gdx n ARG 57 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2gdx n GLU 58 N -0.07 0.00 -3.84 -0.14 4.71 -0.92 -4.83 120.64 115.55 2gdx n GLU 58 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 2gdx n GLU 58 Cb 0.45 -2.29 0.01 0.00 -1.01 0.00 0.00 31.44 28.60 2gdx n GLU 58 CO 0.00 0.00 0.00 1.52 0.09 0.00 0.00 177.13 178.74 2gdx s TYR 59 N -1.77 0.01 0.10 -0.32 -0.85 -1.10 -4.84 117.35 108.58 2gdx s TYR 59 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.21 2gdx s TYR 59 Cb 0.00 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.00 2gdx s TYR 59 CO 0.00 -0.79 0.00 1.04 -1.52 0.00 0.00 175.55 174.28 2gdx n GLN 60 N -0.64 0.00 -4.07 -3.49 6.02 -1.26 -4.89 117.38 109.05 2gdx n GLN 60 Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.53 2gdx n GLN 60 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 2gdx n GLN 60 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2gdx n VAL 61 N -2.75 -2.84 -0.99 5.09 0.31 -1.26 -0.89 118.33 115.00 2gdx n VAL 61 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 2gdx n VAL 61 Cb 0.00 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 30.58 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 -4.87 -0.83 -3.46 5.55 4.71 -1.26 -4.92 120.64 115.56 2gdx n GLU 62 Ca -0.15 0.21 -0.26 0.00 -0.01 0.00 0.00 57.16 56.94 2gdx n GLU 62 Cb 0.59 -3.85 -0.09 0.00 -1.01 0.00 0.00 31.44 27.09 2gdx n GLU 62 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2gdx n LEU 63 N 0.00 2.30 -4.61 -4.62 4.77 -0.07 -5.08 117.00 109.68 2gdx n LEU 63 Ca 0.00 -5.10 -0.41 0.00 -0.03 0.00 0.00 56.01 50.46 2gdx n LEU 63 Cb 0.21 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2gdx n LEU 63 CO 0.00 1.98 0.51 -2.16 -1.33 0.00 0.00 177.39 176.39 2gdx s PRO 64 N -1.69 3.99 -0.09 3.23 0.05 -1.26 -4.85 135.00 134.39 2gdx s PRO 64 Ca 0.35 0.54 -0.03 0.00 0.05 0.00 0.00 61.00 61.91 2gdx s PRO 64 Cb 0.10 -3.71 0.05 0.00 0.05 0.00 0.00 34.50 30.99 2gdx s PRO 64 CO -0.09 -0.59 0.17 -1.17 0.05 0.00 0.00 177.00 175.38 2gdx s LEU 65 N 2.78 0.06 -1.20 -3.56 2.96 -1.26 -4.86 118.68 113.59 2gdx s LEU 65 Ca 0.30 0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 54.49 2gdx s LEU 65 Cb -0.15 0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.89 2gdx s LEU 65 CO 0.11 -0.22 0.77 1.17 -1.32 0.00 0.00 176.35 176.86 2gdx n LYS 66 N 5.09 -3.02 0.00 1.98 4.81 -1.26 -4.95 118.16 120.81 2gdx n LYS 66 Ca -0.09 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2gdx n LYS 66 Cb 0.50 -4.92 0.00 0.00 0.02 0.00 0.00 35.03 30.63 2gdx n LYS 66 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2gdx n VAL 67 N -4.03 0.00 0.00 3.15 0.31 -1.23 -5.05 118.33 111.47 2gdx n VAL 67 Ca -0.18 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2gdx n VAL 67 Cb 0.64 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 2gdx n VAL 67 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2gdx n LEU 68 N -1.69 0.00 -1.63 7.52 7.94 -1.26 -4.87 117.00 123.01 2gdx n LEU 68 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 2gdx n LEU 68 Cb 0.00 0.04 0.35 0.00 0.53 0.00 0.00 43.42 44.33 2gdx n LEU 68 CO 0.00 -0.04 0.79 0.49 -1.11 0.00 0.00 177.39 177.53 2gdx n PHE 69 N -1.13 1.66 -3.78 1.96 3.01 -1.26 -4.76 117.46 113.16 2gdx n PHE 69 Ca 0.00 -0.60 -0.13 0.00 1.01 0.00 0.00 57.45 57.73 2gdx n PHE 69 Cb 0.00 -0.38 -0.13 0.00 -0.01 0.00 0.00 39.48 38.96 2gdx n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gdx s ALA 70 N -2.28 -0.34 -0.11 4.37 0.00 -1.25 -1.91 121.76 120.23 2gdx s ALA 70 Ca 0.47 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 2gdx s ALA 70 Cb 0.34 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2gdx s ALA 70 CO 0.17 -0.12 0.09 1.04 0.00 0.00 0.00 175.76 176.94 2gdx n GLN 71 N 3.63 -2.06 -0.78 0.00 3.00 -1.24 -3.51 117.38 116.42 2gdx n GLN 71 Ca -0.20 1.83 -0.43 0.00 -0.01 0.00 0.00 57.00 58.20 2gdx n GLN 71 Cb 0.55 -2.99 -0.10 0.00 0.00 0.00 0.00 30.24 27.70 2gdx n GLN 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2gdx n PRO 72 N 0.68 0.52 -2.81 -1.09 -0.02 -1.26 -4.34 135.00 126.67 2gdx n PRO 72 Ca -0.15 -1.33 -0.11 0.00 -2.02 0.00 0.00 63.50 59.90 2gdx n PRO 72 Cb 0.23 -2.71 0.04 0.00 -0.02 0.00 0.00 33.50 31.04 2gdx n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2gdx n THR 73 N 6.78 0.34 -0.14 3.45 -2.24 -1.26 -4.99 114.28 116.22 2gdx n THR 73 Ca 0.48 -2.88 -0.04 0.00 -2.27 0.00 0.00 64.05 59.34 2gdx n THR 73 Cb 0.42 0.63 0.03 0.00 -2.10 0.00 0.00 70.33 69.30 2gdx n THR 73 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2gdx h ILE 74 N 2.28 0.57 -0.19 2.28 1.08 -1.86 0.15 117.51 121.82 2gdx h ILE 74 Ca -0.09 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2gdx h ILE 74 Cb 1.14 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 2gdx h ILE 74 CO 0.32 0.00 0.05 0.50 -0.69 0.00 0.00 178.15 178.34 2gdx h LYS 75 N 0.02 0.30 -0.33 2.37 3.64 -1.97 -0.14 116.57 120.45 2gdx h LYS 75 Ca 0.22 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2gdx h LYS 75 Cb 0.33 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2gdx h LYS 75 CO -0.44 0.42 0.18 0.00 -2.27 0.00 0.00 179.45 177.34 2gdx h ALA 76 N 0.86 0.43 -0.36 5.00 0.00 -1.84 -0.67 119.26 122.68 2gdx h ALA 76 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2gdx h ALA 76 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2gdx h ALA 76 CO -0.00 -0.03 -0.15 -0.07 0.00 0.00 0.00 179.25 179.00 2gdx h LEU 77 N 0.41 0.64 -0.42 0.00 4.07 -0.63 -2.28 115.31 117.11 2gdx h LEU 77 Ca 0.12 -0.19 -0.18 0.00 0.08 0.00 0.00 57.88 57.71 2gdx h LEU 77 Cb 0.08 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 2gdx h LEU 77 CO -0.02 0.81 -0.62 0.00 -1.08 0.00 0.00 178.44 177.52 2gdx h ALA 78 N 1.26 0.59 0.00 1.53 0.00 -0.80 -1.00 119.26 120.84 2gdx h ALA 78 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2gdx h ALA 78 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2gdx h ALA 78 CO 0.04 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2gdx n GLN 79 N -3.93 0.02 0.00 0.00 10.64 -0.28 -3.00 117.38 120.82 2gdx n GLN 79 Ca -0.04 0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 2gdx n GLN 79 Cb 0.65 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 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 -1.49 0.00 0.11 2.61 4.01 -0.88 -4.87 117.16 116.65 2gdx n TYR 80 Ca 0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.57 2gdx n TYR 80 Cb 0.30 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.19 2gdx n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2gdx h VAL 81 N 0.00 1.29 0.00 -0.72 2.07 -1.37 -3.35 116.25 114.17 2gdx h VAL 81 Ca 0.00 -2.55 -0.41 0.00 0.82 0.00 0.00 66.70 64.56 2gdx h VAL 81 Cb 0.00 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2gdx h VAL 81 CO 0.00 0.77 1.61 0.00 0.02 0.00 0.00 177.57 179.97 2gdx n ALA 82 N -2.70 6.93 0.00 1.67 0.00 -1.09 -2.73 120.51 122.60 2gdx n ALA 82 Ca -0.15 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.67 2gdx n ALA 82 Cb 1.03 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2gdx n ALA 82 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2gdx n THR 83 N 3.01 0.00 -4.18 0.00 5.66 -1.26 -4.71 114.28 112.80 2gdx n THR 83 Ca 0.60 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 61.30 2gdx n THR 83 Cb 0.59 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 2gdx n THR 83 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2gdx n ARG 84 N -0.23 -2.06 0.00 1.09 3.00 -1.10 -5.14 116.66 112.22 2gdx n ARG 84 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 57.85 58.08 2gdx n ARG 84 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 32.46 28.30 2gdx n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06