#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 -0.16 2.61 3.17 0.00 -1.26 -5.00 105.19 104.55 2gdx n GLY 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2gdx n GLY 2 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gdx s VAL 3 N -3.06 -0.10 -0.02 1.61 -7.23 -1.23 -3.62 120.40 106.75 2gdx s VAL 3 Ca 0.07 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 58.88 2gdx s VAL 3 Cb -0.01 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 36.06 2gdx s VAL 3 CO 0.23 -0.79 0.05 -0.89 -0.31 0.00 0.00 175.10 173.40 2gdx s THR 4 N 1.25 -0.01 -0.45 5.32 2.01 -0.91 -5.04 115.64 117.81 2gdx s THR 4 Ca 0.18 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.94 2gdx s THR 4 Cb -0.19 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 2gdx s THR 4 CO -0.01 0.02 1.68 -1.61 -0.69 0.00 0.00 174.62 174.01 2gdx s GLU 5 N 0.24 3.20 0.72 4.92 8.01 -1.26 -4.80 118.70 129.73 2gdx s GLU 5 Ca -0.02 1.00 0.02 0.00 0.01 0.00 0.00 54.97 55.98 2gdx s GLU 5 Cb -0.03 -4.20 0.14 0.00 -4.31 0.00 0.00 34.13 25.73 2gdx s GLU 5 CO -0.01 -2.03 0.99 0.00 0.01 0.00 0.00 175.26 174.22 2gdx s ALA 6 N 7.03 3.97 -0.51 5.21 0.00 -1.22 -4.99 121.76 131.24 2gdx s ALA 6 Ca 0.69 -1.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2gdx s ALA 6 Cb -0.17 -1.82 0.13 0.00 0.00 0.00 0.00 23.12 21.27 2gdx s ALA 6 CO 0.29 -1.45 0.32 -0.65 0.00 0.00 0.00 175.76 174.26 2gdx s GLN 7 N -5.09 2.28 0.00 0.00 1.11 -1.26 -4.51 119.66 112.19 2gdx s GLN 7 Ca 0.67 -2.13 0.00 0.00 0.01 0.00 0.00 55.36 53.91 2gdx s GLN 7 Cb -0.04 -3.67 0.00 0.00 -1.01 0.00 0.00 33.01 28.29 2gdx s GLN 7 CO 0.44 -1.12 0.00 0.98 0.01 0.00 0.00 175.29 175.60 2gdx n TYR 8 N 4.13 0.00 -0.22 0.91 9.36 -1.25 -5.01 117.16 125.08 2gdx n TYR 8 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 2gdx n TYR 8 Cb 0.40 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 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 0.00 0.00 -2.53 2.97 3.14 -0.46 -4.95 118.33 116.50 2gdx n VAL 9 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 2gdx n VAL 9 Cb 0.00 -0.06 -0.02 0.00 -1.06 0.00 0.00 33.84 32.70 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 -2.28 3.29 0.56 1.55 0.00 -1.26 -4.77 121.76 118.85 2gdx s ALA 10 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.83 2gdx s ALA 10 Cb 0.00 -3.81 0.05 0.00 0.00 0.00 0.00 23.12 19.36 2gdx s ALA 10 CO 0.00 -1.93 0.77 -1.25 0.00 0.00 0.00 175.76 173.35 2gdx s PRO 11 N 4.22 2.42 -0.23 0.00 0.04 -1.26 -4.85 135.00 135.35 2gdx s PRO 11 Ca 0.51 -1.01 -0.01 0.00 0.04 0.00 0.00 61.00 60.53 2gdx s PRO 11 Cb -0.12 -2.53 -0.19 0.00 0.04 0.00 0.00 34.50 31.70 2gdx s PRO 11 CO 0.25 -0.77 -0.08 0.25 0.04 0.00 0.00 177.00 176.69 2gdx n THR 12 N -2.32 1.56 -4.39 1.26 -2.24 -1.26 -4.96 114.28 101.92 2gdx n THR 12 Ca 0.10 -0.59 -0.28 0.00 -2.27 0.00 0.00 64.05 61.01 2gdx n THR 12 Cb 0.60 -1.51 -0.12 0.00 -2.10 0.00 0.00 70.33 67.20 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 -6.67 3.42 0.43 3.42 3.84 -1.26 -5.04 114.94 113.08 2gdx s ASN 13 Ca -0.32 -0.77 0.10 0.00 0.21 0.00 0.00 52.86 52.08 2gdx s ASN 13 Cb 0.08 -0.27 0.95 0.00 -0.55 0.00 0.00 41.25 41.47 2gdx s ASN 13 CO 0.64 0.16 2.03 0.00 -2.79 0.00 0.00 177.10 177.14 2gdx h ALA 14 N 3.61 1.85 0.00 1.71 0.00 -2.02 -1.52 119.26 122.90 2gdx h ALA 14 Ca -0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2gdx h ALA 14 Cb 1.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2gdx h ALA 14 CO 0.43 0.09 -0.18 -0.24 0.00 0.00 0.00 179.25 179.34 2gdx h VAL 15 N 0.47 0.87 0.81 0.00 3.04 -1.98 -2.38 116.25 117.07 2gdx h VAL 15 Ca 0.20 -0.70 -0.04 0.00 -1.01 0.00 0.00 66.70 65.14 2gdx h VAL 15 Cb 0.19 1.41 0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2gdx h VAL 15 CO -0.05 0.18 -0.39 -0.33 -1.01 0.00 0.00 177.57 175.97 2gdx h GLU 16 N 0.00 -1.05 0.00 4.17 5.08 -1.68 -1.62 114.58 119.48 2gdx h GLU 16 Ca -0.00 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2gdx h GLU 16 Cb 0.39 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2gdx h GLU 16 CO 0.02 -0.69 0.00 0.43 -1.00 0.00 0.00 179.01 177.78 2gdx n SER 17 N -5.53 0.41 0.03 1.42 7.64 -1.22 -2.12 113.62 114.26 2gdx n SER 17 Ca -0.14 0.54 -0.13 0.00 1.01 0.00 0.00 58.87 60.15 2gdx n SER 17 Cb 0.44 -0.65 -0.09 0.00 -1.01 0.00 0.00 64.21 62.90 2gdx n SER 17 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gdx h LYS 18 N 0.00 -0.11 -0.68 1.43 3.11 -1.23 -0.29 116.57 118.80 2gdx h LYS 18 Ca 0.00 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.82 2gdx h LYS 18 Cb 0.60 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.83 2gdx h LYS 18 CO 0.00 0.33 0.31 -0.07 -2.81 0.00 0.00 179.45 177.21 2gdx h LEU 19 N -0.58 0.91 -0.14 5.20 -0.00 -1.24 -1.47 115.31 117.99 2gdx h LEU 19 Ca -0.01 -0.15 0.02 0.00 -0.00 0.00 0.00 57.88 57.74 2gdx h LEU 19 Cb 0.48 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 2gdx h LEU 19 CO 0.02 0.81 0.02 0.00 -0.00 0.00 0.00 178.44 179.29 2gdx h ALA 20 N 1.14 0.13 -0.11 1.53 0.00 -1.46 -2.41 119.26 118.10 2gdx h ALA 20 Ca 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2gdx h ALA 20 Cb 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2gdx h ALA 20 CO -0.03 -0.43 -0.10 1.49 0.00 0.00 0.00 179.25 180.19 2gdx h GLU 21 N 0.08 0.16 -0.64 0.00 4.81 -0.77 0.18 114.58 118.40 2gdx h GLU 21 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2gdx h GLU 21 Cb 0.06 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2gdx h GLU 21 CO -0.09 0.28 0.32 0.82 -0.73 0.00 0.00 179.01 179.61 2gdx h ILE 22 N 0.16 1.21 0.07 2.32 2.04 -0.79 -2.55 117.51 119.98 2gdx h ILE 22 Ca 0.03 -0.58 -0.11 0.00 1.00 0.00 0.00 64.86 65.20 2gdx h ILE 22 Cb 0.29 0.43 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2gdx h ILE 22 CO 0.02 0.24 -0.47 -0.50 0.00 0.00 0.00 178.15 177.44 2gdx h TRP 23 N 0.87 0.33 0.00 1.37 4.06 -0.94 -2.86 115.95 118.78 2gdx h TRP 23 Ca 0.22 -0.23 0.00 0.00 2.06 0.00 0.00 58.89 60.94 2gdx h TRP 23 Cb 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 2gdx h TRP 23 CO -0.00 1.16 0.00 -0.85 -3.56 0.00 0.00 178.44 175.19 2gdx n GLU 24 N -4.33 0.12 0.00 0.49 0.28 -0.03 -1.63 120.64 115.53 2gdx n GLU 24 Ca -0.12 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 2gdx n GLU 24 Cb 0.67 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.04 2gdx n GLU 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2gdx n ARG 25 N -1.43 2.85 -0.08 3.44 1.74 -0.96 -2.16 116.66 120.07 2gdx n ARG 25 Ca 0.08 -0.24 -0.17 0.00 -0.77 0.00 0.00 57.85 56.75 2gdx n ARG 25 Cb 0.25 -0.73 -0.06 0.00 -1.02 0.00 0.00 32.46 30.91 2gdx n ARG 25 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2gdx n VAL 26 N -0.48 0.86 0.00 1.55 0.31 -1.08 -4.86 118.33 114.64 2gdx n VAL 26 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2gdx n VAL 26 Cb 0.01 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 2gdx n VAL 26 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gdx n LEU 27 N -3.69 0.27 -4.43 7.52 4.77 -0.65 -4.83 117.00 115.96 2gdx n LEU 27 Ca -0.31 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.23 2gdx n LEU 27 Cb 0.72 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 2gdx n LEU 27 CO 0.02 0.00 0.91 -0.83 -1.33 0.00 0.00 177.39 176.16 2gdx s GLY 28 N -0.42 2.07 -0.38 -0.72 0.00 -1.14 -4.98 107.32 101.75 2gdx s GLY 28 Ca 0.00 -2.88 -0.27 0.00 0.00 0.00 0.00 44.72 41.57 2gdx s GLY 28 CO 0.00 1.89 2.16 0.14 0.00 0.00 0.00 173.10 177.29 2gdx s VAL 29 N 2.23 3.14 0.12 1.40 1.01 -1.21 -4.36 120.40 122.74 2gdx s VAL 29 Ca 0.31 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2gdx s VAL 29 Cb -0.06 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2gdx s VAL 29 CO -0.09 -0.20 0.00 -1.20 0.00 0.00 0.00 175.10 173.61 2gdx n SER 30 N 12.97 0.13 0.00 3.32 7.64 -0.92 -5.03 113.62 131.73 2gdx n SER 30 Ca 0.30 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2gdx n SER 30 Cb 0.49 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 2.17 0.38 1.88 0.23 0.00 -1.26 -4.77 105.19 103.82 2gdx n GLY 31 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.14 0.00 -0.61 -6.64 -1.26 -3.44 119.36 107.55 2gdx n ILE 32 Ca 0.00 0.05 0.00 0.00 -1.77 0.00 0.00 62.75 61.03 2gdx n ILE 32 Cb 0.00 -0.64 0.00 0.00 -1.44 0.00 0.00 39.64 37.56 2gdx n ILE 32 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2gdx n GLY 33 N 1.75 1.00 2.96 3.28 0.00 -1.26 -1.35 105.19 111.57 2gdx n GLY 33 Ca 0.00 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 2gdx n GLY 33 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gdx s ILE 34 N 0.00 2.52 0.17 -0.61 -4.36 -1.26 -4.84 121.20 112.82 2gdx s ILE 34 Ca 0.00 -3.14 0.00 0.00 -0.26 0.00 0.00 60.65 57.25 2gdx s ILE 34 Cb 0.00 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.94 2gdx s ILE 34 CO 0.00 -0.76 0.00 0.00 0.24 0.00 0.00 174.94 174.42 2gdx n LEU 35 N 3.32 -1.15 -3.76 0.37 -0.00 -1.26 -4.88 117.00 109.64 2gdx n LEU 35 Ca 0.05 0.31 0.02 0.00 -0.00 0.00 0.00 56.01 56.40 2gdx n LEU 35 Cb 0.34 1.29 0.00 0.00 -0.00 0.00 0.00 43.42 45.05 2gdx n LEU 35 CO 0.32 -0.33 1.10 -0.62 -0.00 0.00 0.00 177.39 177.86 2gdx s ASP 36 N -2.48 -0.02 -1.48 1.45 2.15 -1.26 -4.91 116.67 110.10 2gdx s ASP 36 Ca 0.00 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 52.84 2gdx s ASP 36 Cb 0.00 0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2gdx s ASP 36 CO 0.00 -0.24 0.00 0.59 -0.17 0.00 0.00 175.17 175.35 2gdx n ASN 37 N -0.72 -4.71 0.00 -0.34 5.03 -1.26 -4.90 115.26 108.36 2gdx n ASN 37 Ca -0.04 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.65 2gdx n ASN 37 Cb 0.61 -3.65 0.00 0.00 -1.02 0.00 0.00 39.78 35.73 2gdx n ASN 37 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2gdx n PHE 38 N -3.07 0.00 0.00 3.10 7.35 -1.24 -2.15 117.46 121.45 2gdx n PHE 38 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 2gdx n PHE 38 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 2gdx n PHE 38 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2gdx n PHE 39 N -0.27 0.00 -1.19 -5.13 7.35 -1.26 -4.44 117.46 112.51 2gdx n PHE 39 Ca 0.00 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.34 2gdx n PHE 39 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 2gdx n PHE 39 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2gdx n GLN 40 N 0.00 3.35 0.00 -4.13 0.00 -1.26 -3.81 117.38 111.54 2gdx n GLN 40 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 57.00 54.98 2gdx n GLN 40 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 30.24 27.53 2gdx n GLN 40 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2gdx n ILE 41 N 3.66 0.00 0.00 -0.39 -5.35 -1.05 -4.39 119.36 111.84 2gdx n ILE 41 Ca 0.71 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.19 2gdx n ILE 41 Cb 0.23 -1.36 0.00 0.00 -1.74 0.00 0.00 39.64 36.77 2gdx n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gdx n GLY 42 N 2.99 2.78 0.00 3.28 0.00 -1.25 -4.81 105.19 108.18 2gdx n GLY 42 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.50 -0.57 2.51 -0.02 0.00 -1.26 -4.97 105.19 101.38 2gdx n GLY 43 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 2gdx n GLY 43 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2gdx n HIS 44 N 0.75 2.35 -2.35 1.61 -0.00 -1.26 -4.82 115.22 111.51 2gdx n HIS 44 Ca 0.00 -4.01 -0.37 0.00 0.46 0.00 0.00 57.72 53.80 2gdx n HIS 44 Cb 0.00 -0.45 -0.02 0.00 -0.12 0.00 0.00 29.99 29.40 2gdx n HIS 44 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2gdx s SER 45 N -1.71 6.43 -1.24 0.26 0.01 -1.26 -4.95 113.70 111.25 2gdx s SER 45 Ca 0.34 2.24 -0.07 0.00 1.31 0.00 0.00 55.95 59.78 2gdx s SER 45 Cb 0.09 -2.60 0.19 0.00 0.21 0.00 0.00 66.02 63.91 2gdx s SER 45 CO -0.09 -0.73 1.94 0.18 0.41 0.00 0.00 173.24 174.94 2gdx n LEU 46 N -0.21 7.04 -3.93 2.44 4.77 -1.26 -4.53 117.00 121.32 2gdx n LEU 46 Ca 0.06 -4.87 -0.09 0.00 -0.03 0.00 0.00 56.01 51.08 2gdx n LEU 46 Cb 0.48 -1.39 -0.09 0.00 -2.33 0.00 0.00 43.42 40.09 2gdx n LEU 46 CO 0.48 1.67 -0.20 -0.54 -1.33 0.00 0.00 177.39 177.46 2gdx s LYS 47 N -0.94 0.62 0.25 3.23 -0.14 -1.26 -5.05 119.74 116.44 2gdx s LYS 47 Ca 0.42 -0.78 -0.03 0.00 -1.36 0.00 0.00 55.97 54.21 2gdx s LYS 47 Cb 0.12 0.24 0.48 0.00 -1.68 0.00 0.00 37.83 36.99 2gdx s LYS 47 CO -0.01 -0.16 1.74 0.00 -0.76 0.00 0.00 175.35 176.16 2gdx h ALA 48 N 3.55 1.13 -0.39 5.17 0.00 -1.99 0.24 119.26 126.97 2gdx h ALA 48 Ca -0.33 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2gdx h ALA 48 Cb 1.18 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2gdx h ALA 48 CO 0.51 -0.17 0.10 1.98 0.00 0.00 0.00 179.25 181.67 2gdx h MET 49 N 0.51 0.58 0.02 0.00 -1.53 -1.97 0.63 114.93 113.17 2gdx h MET 49 Ca 0.43 -0.10 -0.25 0.00 -3.44 0.00 0.00 59.70 56.34 2gdx h MET 49 Cb 0.63 -0.10 0.01 0.00 -0.55 0.00 0.00 31.60 31.60 2gdx h MET 49 CO -0.39 0.53 -1.03 0.00 0.14 0.00 0.00 176.91 176.16 2gdx h ALA 50 N 1.54 0.22 -0.70 0.39 0.00 -1.34 -2.80 119.26 116.58 2gdx h ALA 50 Ca 0.13 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2gdx h ALA 50 Cb 0.22 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2gdx h ALA 50 CO -0.00 0.77 0.16 0.28 0.00 0.00 0.00 179.25 180.45 2gdx h VAL 51 N 0.28 1.26 -0.64 0.00 2.07 -0.60 -0.26 116.25 118.37 2gdx h VAL 51 Ca -0.11 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2gdx h VAL 51 Cb 1.69 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2gdx h VAL 51 CO 0.19 0.38 0.35 0.00 0.02 0.00 0.00 177.57 178.51 2gdx h ALA 52 N 1.08 1.42 -0.09 1.67 0.00 -0.87 0.14 119.26 122.60 2gdx h ALA 52 Ca 0.22 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2gdx h ALA 52 Cb 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2gdx h ALA 52 CO 0.00 0.48 -0.70 0.00 0.00 0.00 0.00 179.25 179.03 2gdx h ALA 53 N 1.50 0.61 -0.60 0.00 0.00 -1.19 -0.19 119.26 119.39 2gdx h ALA 53 Ca 0.23 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2gdx h ALA 53 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2gdx h ALA 53 CO -0.04 0.75 0.07 0.37 0.00 0.00 0.00 179.25 180.41 2gdx h GLN 54 N 0.30 0.99 0.00 0.00 5.75 -0.15 -1.33 115.11 120.66 2gdx h GLN 54 Ca -0.03 -0.26 -0.14 0.00 -0.15 0.00 0.00 58.65 58.07 2gdx h GLN 54 Cb 1.27 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 2gdx h GLN 54 CO 0.12 0.92 -0.84 0.28 -2.65 0.00 0.00 178.83 176.66 2gdx h VAL 55 N 0.92 0.90 -0.51 2.39 2.07 -0.99 -3.21 116.25 117.83 2gdx h VAL 55 Ca 0.18 -2.36 -0.09 0.00 0.82 0.00 0.00 66.70 65.25 2gdx h VAL 55 Cb 0.43 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2gdx h VAL 55 CO 0.01 0.51 -0.05 -0.74 0.02 0.00 0.00 177.57 177.32 2gdx h HIS 56 N 0.00 0.98 -3.68 1.57 2.76 -0.73 -3.44 115.15 112.62 2gdx h HIS 56 Ca -0.05 -0.17 -0.46 0.00 -2.20 0.00 0.00 60.37 57.49 2gdx h HIS 56 Cb 1.51 -0.26 0.10 0.00 1.55 0.00 0.00 27.41 30.32 2gdx h HIS 56 CO 0.00 0.91 0.28 1.03 -1.30 0.00 0.00 177.93 178.85 2gdx s ARG 57 N -4.91 1.70 -0.09 5.26 0.52 -0.53 -4.94 118.95 115.97 2gdx s ARG 57 Ca -0.10 -0.38 -0.05 0.00 -0.52 0.00 0.00 55.73 54.68 2gdx s ARG 57 Cb 0.14 -2.09 -0.16 0.00 0.52 0.00 0.00 34.95 33.36 2gdx s ARG 57 CO 0.84 -1.60 3.21 0.39 0.02 0.00 0.00 175.30 178.15 2gdx n GLU 58 N -3.16 1.93 -3.00 3.54 4.71 -1.26 -4.67 120.64 118.73 2gdx n GLU 58 Ca 0.11 -1.13 -0.13 0.00 -0.01 0.00 0.00 57.16 56.00 2gdx n GLU 58 Cb 0.60 -1.88 0.01 0.00 -1.01 0.00 0.00 31.44 29.17 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 2.00 -3.29 0.52 -0.32 4.02 -1.21 -4.87 117.16 114.01 2gdx n TYR 59 Ca 0.38 1.33 0.10 0.00 -0.01 0.00 0.00 57.90 59.69 2gdx n TYR 59 Cb 0.79 -3.68 0.40 0.00 -0.02 0.00 0.00 39.34 36.83 2gdx n TYR 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2gdx n GLN 60 N -0.45 0.08 0.00 -0.72 0.00 -1.26 -4.90 117.38 110.13 2gdx n GLN 60 Ca 0.07 0.28 0.00 0.00 0.00 0.00 0.00 57.00 57.35 2gdx n GLN 60 Cb 0.51 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.11 2gdx n GLN 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2gdx n VAL 61 N -1.78 0.00 -0.58 -0.39 0.31 -1.26 -1.42 118.33 113.21 2gdx n VAL 61 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2gdx n VAL 61 Cb 0.22 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 2gdx n VAL 61 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2gdx n GLU 62 N 0.00 0.57 -3.76 5.55 0.28 -1.26 -4.79 120.64 117.23 2gdx n GLU 62 Ca 0.00 -0.63 -0.28 0.00 -0.16 0.00 0.00 57.16 56.09 2gdx n GLU 62 Cb 0.00 -0.71 -0.11 0.00 1.43 0.00 0.00 31.44 32.05 2gdx n GLU 62 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2gdx n LEU 63 N -0.12 2.69 -2.59 -1.84 -0.00 -0.51 -4.69 117.00 109.95 2gdx n LEU 63 Ca 0.00 -5.15 -0.21 0.00 -0.00 0.00 0.00 56.01 50.66 2gdx n LEU 63 Cb 0.29 -0.57 -0.10 0.00 -0.00 0.00 0.00 43.42 43.04 2gdx n LEU 63 CO 0.00 1.82 2.19 -2.65 -0.00 0.00 0.00 177.39 178.75 2gdx n PRO 64 N 1.88 2.40 -2.11 1.96 -0.02 -1.26 -4.76 135.00 133.09 2gdx n PRO 64 Ca 0.22 -1.36 -0.42 0.00 -2.02 0.00 0.00 63.50 59.92 2gdx n PRO 64 Cb 0.38 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2gdx n PRO 64 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2gdx s LEU 65 N 0.06 4.37 -1.31 2.45 2.96 -1.26 -3.38 118.68 122.58 2gdx s LEU 65 Ca 0.60 2.42 -0.13 0.00 -0.22 0.00 0.00 54.13 56.79 2gdx s LEU 65 Cb 0.23 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.33 2gdx s LEU 65 CO -0.02 -0.69 0.52 0.29 -1.32 0.00 0.00 176.35 175.13 2gdx n LYS 66 N 3.82 -1.79 0.00 1.98 4.01 -1.21 -4.81 118.16 120.16 2gdx n LYS 66 Ca 0.12 0.31 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 2gdx n LYS 66 Cb 0.41 -3.90 0.00 0.00 -0.51 0.00 0.00 35.03 31.04 2gdx n LYS 66 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 2gdx n VAL 67 N -4.49 0.00 0.05 -0.18 3.14 -1.25 -4.98 118.33 110.62 2gdx n VAL 67 Ca -0.21 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2gdx n VAL 67 Cb 0.64 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 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 -1.04 -0.96 0.27 6.55 0.00 -1.26 -4.89 117.00 115.66 2gdx n LEU 68 Ca 0.00 0.46 0.15 0.00 0.00 0.00 0.00 56.01 56.62 2gdx n LEU 68 Cb 0.08 1.18 0.68 0.00 0.00 0.00 0.00 43.42 45.35 2gdx n LEU 68 CO 0.00 0.03 0.96 -0.26 0.00 0.00 0.00 177.39 178.12 2gdx h PHE 69 N 0.00 0.00 -0.85 1.96 0.04 -1.83 -2.77 116.94 113.48 2gdx h PHE 69 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 2gdx h PHE 69 Cb 0.00 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 37.75 2gdx h PHE 69 CO 0.00 0.08 -0.48 0.00 -0.60 0.00 0.00 178.31 177.31 2gdx n ALA 70 N -2.15 5.29 -2.80 2.45 0.00 -1.22 -2.53 120.51 119.55 2gdx n ALA 70 Ca -0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 53.44 49.66 2gdx n ALA 70 Cb 0.31 -0.62 0.01 0.00 0.00 0.00 0.00 19.45 19.15 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 -3.65 0.48 -0.96 0.00 -0.21 -1.05 -3.36 119.66 110.92 2gdx s GLN 71 Ca 0.53 -0.35 -0.06 0.00 0.02 0.00 0.00 55.36 55.50 2gdx s GLN 71 Cb 0.43 0.01 -0.07 0.00 1.00 0.00 0.00 33.01 34.38 2gdx s GLN 71 CO 0.01 -0.63 2.29 -2.30 -2.12 0.00 0.00 175.29 172.54 2gdx n PRO 72 N 3.28 2.30 -3.12 2.91 -0.02 -1.26 -4.47 135.00 134.61 2gdx n PRO 72 Ca 0.11 -1.51 -0.17 0.00 -2.02 0.00 0.00 63.50 59.90 2gdx n PRO 72 Cb 0.61 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 2gdx n PRO 72 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2gdx n THR 73 N 3.97 -0.71 -0.26 3.45 -1.04 -1.26 -4.91 114.28 113.51 2gdx n THR 73 Ca 0.49 -2.41 -0.06 0.00 -2.04 0.00 0.00 64.05 60.04 2gdx n THR 73 Cb 0.19 -0.53 0.05 0.00 -1.82 0.00 0.00 70.33 68.22 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 4.76 1.23 -0.34 12.58 2.04 -1.95 0.25 117.51 136.08 2gdx h ILE 74 Ca 0.18 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 2gdx h ILE 74 Cb 0.99 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2gdx h ILE 74 CO 0.22 0.26 0.01 0.50 0.00 0.00 0.00 178.15 179.13 2gdx h LYS 75 N 1.00 0.59 -0.31 2.37 1.63 -1.95 -2.33 116.57 117.57 2gdx h LYS 75 Ca 0.25 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 2gdx h LYS 75 Cb 0.07 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2gdx h LYS 75 CO -0.04 0.71 -0.01 0.00 -3.45 0.00 0.00 179.45 176.66 2gdx h ALA 76 N 0.86 1.41 -0.18 5.00 0.00 -1.87 -1.67 119.26 122.81 2gdx h ALA 76 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2gdx h ALA 76 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2gdx h ALA 76 CO 0.02 0.42 0.01 -0.07 0.00 0.00 0.00 179.25 179.63 2gdx h LEU 77 N 0.46 0.23 -1.12 0.00 3.38 -0.17 -1.05 115.31 117.03 2gdx h LEU 77 Ca 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2gdx h LEU 77 Cb 0.32 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2gdx h LEU 77 CO 0.01 0.27 -0.14 0.00 0.09 0.00 0.00 178.44 178.67 2gdx h ALA 78 N 1.77 1.00 -0.38 1.53 0.00 -0.77 -0.31 119.26 122.10 2gdx h ALA 78 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gdx h ALA 78 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2gdx h ALA 78 CO 0.00 0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.46 2gdx n GLN 79 N -3.26 2.45 0.00 0.00 1.13 -0.51 -3.37 117.38 113.82 2gdx n GLN 79 Ca 0.01 -2.25 0.00 0.00 -1.94 0.00 0.00 57.00 52.82 2gdx n GLN 79 Cb 0.40 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.26 2gdx n GLN 79 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2gdx n TYR 80 N 1.41 0.00 -0.11 1.08 4.02 -0.58 -4.94 117.16 118.04 2gdx n TYR 80 Ca 0.19 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.83 2gdx n TYR 80 Cb 0.58 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.79 2gdx n TYR 80 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2gdx n VAL 81 N -1.61 1.55 -2.89 -0.72 0.31 -0.39 -4.59 118.33 109.98 2gdx n VAL 81 Ca 0.00 -0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 63.52 2gdx n VAL 81 Cb 0.00 -1.79 0.01 0.00 -0.91 0.00 0.00 33.84 31.16 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 -3.71 5.44 0.05 3.52 0.00 -0.26 -4.58 120.51 120.96 2gdx n ALA 82 Ca -0.46 -4.75 0.06 0.00 0.00 0.00 0.00 53.44 48.29 2gdx n ALA 82 Cb 0.89 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.94 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 0.97 0.00 0.00 0.00 5.66 -1.22 -4.30 114.28 115.39 2gdx n THR 83 Ca 0.32 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 2gdx n THR 83 Cb 0.31 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 -1.84 0.00 0.00 1.09 1.74 -1.26 -5.02 116.66 111.37 2gdx n ARG 84 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2gdx n ARG 84 Cb 0.29 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.73 2gdx n ARG 84 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54