#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 -0.20 -0.49 -5.12 0.00 -1.26 -5.10 107.32 95.15 2gdx s GLY 2 Ca 0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.34 2gdx s GLY 2 CO 0.00 -0.08 1.86 -1.34 0.00 0.00 0.00 173.10 173.54 2gdx s VAL 3 N -3.87 3.40 -1.09 1.40 -7.23 -1.26 -4.91 120.40 106.84 2gdx s VAL 3 Ca 0.09 0.32 -0.10 0.00 -1.81 0.00 0.00 61.98 60.48 2gdx s VAL 3 Cb -0.03 -3.77 0.27 0.00 0.56 0.00 0.00 36.38 33.40 2gdx s VAL 3 CO -0.00 -0.65 1.09 -0.89 -0.31 0.00 0.00 175.10 174.34 2gdx s THR 4 N 8.31 5.92 0.26 5.32 2.01 -1.26 -4.97 115.64 131.23 2gdx s THR 4 Ca 0.74 -3.28 -0.22 0.00 0.31 0.00 0.00 61.69 59.23 2gdx s THR 4 Cb -0.17 -4.61 -0.09 0.00 0.01 0.00 0.00 72.50 67.65 2gdx s THR 4 CO 0.26 -1.19 0.80 -1.61 -0.69 0.00 0.00 174.62 172.20 2gdx s GLU 5 N -0.98 4.38 0.05 4.92 2.02 -1.26 -3.78 118.70 124.06 2gdx s GLU 5 Ca 0.30 1.04 0.06 0.00 0.02 0.00 0.00 54.97 56.39 2gdx s GLU 5 Cb -0.10 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 2gdx s GLU 5 CO -0.08 0.36 -0.17 0.00 0.02 0.00 0.00 175.26 175.39 2gdx s ALA 6 N -1.54 1.44 0.00 5.21 0.00 -0.51 -4.96 121.76 121.40 2gdx s ALA 6 Ca 0.45 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2gdx s ALA 6 Cb -0.18 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2gdx s ALA 6 CO 0.22 0.29 1.69 0.94 0.00 0.00 0.00 175.76 178.90 2gdx n GLN 7 N 1.70 0.98 -2.72 0.00 7.27 -1.26 -3.40 117.38 119.95 2gdx n GLN 7 Ca -0.18 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 56.85 2gdx n GLN 7 Cb 0.54 -1.01 0.10 0.00 2.41 0.00 0.00 30.24 32.28 2gdx n GLN 7 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 2gdx n TYR 8 N 1.23 -0.98 -1.34 3.69 9.36 -1.26 -4.95 117.16 122.91 2gdx n TYR 8 Ca 0.00 -1.98 -0.27 0.00 3.32 0.00 0.00 57.90 58.97 2gdx n TYR 8 Cb 0.49 0.92 0.13 0.00 -0.63 0.00 0.00 39.34 40.25 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 -0.97 3.30 -2.75 2.97 3.14 -1.22 -2.06 118.33 120.74 2gdx n VAL 9 Ca -0.06 -2.59 -0.43 0.00 -2.96 0.00 0.00 64.34 58.31 2gdx n VAL 9 Cb 0.85 -0.80 -0.03 0.00 -1.06 0.00 0.00 33.84 32.79 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 -3.55 3.32 0.18 1.55 0.00 -1.26 -4.79 121.76 117.20 2gdx s ALA 10 Ca 0.59 -0.52 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 2gdx s ALA 10 Cb 0.48 -3.65 -0.10 0.00 0.00 0.00 0.00 23.12 19.85 2gdx s ALA 10 CO 0.04 -1.86 1.50 -2.14 0.00 0.00 0.00 175.76 173.31 2gdx s PRO 11 N 3.77 4.25 0.00 0.00 0.02 -1.26 -4.76 135.00 137.02 2gdx s PRO 11 Ca 0.40 2.29 0.24 0.00 0.02 0.00 0.00 61.00 63.96 2gdx s PRO 11 Cb -0.10 -3.16 0.33 0.00 0.02 0.00 0.00 34.50 31.58 2gdx s PRO 11 CO 0.23 -0.52 1.34 0.25 -0.33 0.00 0.00 177.00 177.97 2gdx n THR 12 N 3.53 0.08 -3.58 0.99 -2.24 -1.26 -4.93 114.28 106.87 2gdx n THR 12 Ca 0.12 -0.51 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 2gdx n THR 12 Cb 0.40 1.29 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 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 -1.92 -0.59 0.42 3.42 2.47 -1.26 -4.89 114.94 112.59 2gdx s ASN 13 Ca 0.31 0.72 0.08 0.00 0.42 0.00 0.00 52.86 54.40 2gdx s ASN 13 Cb 0.20 0.64 0.89 0.00 -1.45 0.00 0.00 41.25 41.54 2gdx s ASN 13 CO 0.31 -0.52 2.04 0.00 -3.72 0.00 0.00 177.10 175.21 2gdx h ALA 14 N 3.51 1.70 0.00 1.71 0.00 -2.01 -0.84 119.26 123.34 2gdx h ALA 14 Ca -0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2gdx h ALA 14 Cb 1.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2gdx h ALA 14 CO 0.34 0.25 -0.26 0.28 0.00 0.00 0.00 179.25 179.86 2gdx h VAL 15 N 0.44 0.82 -0.07 0.00 2.07 -1.97 -2.82 116.25 114.72 2gdx h VAL 15 Ca 0.11 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 2gdx h VAL 15 Cb 0.02 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2gdx h VAL 15 CO -0.02 0.26 0.02 -0.33 0.02 0.00 0.00 177.57 177.52 2gdx h GLU 16 N 0.00 0.10 -0.69 1.57 5.08 -1.55 0.13 114.58 119.23 2gdx h GLU 16 Ca -0.00 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2gdx h GLU 16 Cb 0.62 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2gdx h GLU 16 CO 0.03 0.27 0.17 0.77 -1.00 0.00 0.00 179.01 179.25 2gdx h SER 17 N -0.08 1.04 -0.12 1.42 0.02 -1.53 -0.96 113.55 113.34 2gdx h SER 17 Ca 0.02 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2gdx h SER 17 Cb 0.21 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2gdx h SER 17 CO -0.00 1.00 -0.12 0.50 -1.14 0.00 0.00 176.83 177.07 2gdx h LYS 18 N 1.03 0.29 0.38 3.45 1.63 -1.42 -2.41 116.57 119.53 2gdx h LYS 18 Ca 0.22 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2gdx h LYS 18 Cb 0.37 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2gdx h LYS 18 CO 0.00 0.70 -0.18 1.25 -3.45 0.00 0.00 179.45 177.77 2gdx h LEU 19 N -0.10 -0.43 -1.97 5.20 5.85 -0.90 -2.35 115.31 120.60 2gdx h LEU 19 Ca 0.02 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2gdx h LEU 19 Cb 0.64 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 2gdx h LEU 19 CO 0.03 -0.17 -0.05 0.00 -0.34 0.00 0.00 178.44 177.91 2gdx h ALA 20 N -0.15 1.83 0.15 1.25 0.00 -1.27 -0.22 119.26 120.85 2gdx h ALA 20 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2gdx h ALA 20 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2gdx h ALA 20 CO 0.09 0.06 -0.07 0.93 0.00 0.00 0.00 179.25 180.25 2gdx h GLU 21 N 0.00 -0.20 -0.26 0.00 4.39 -1.28 -2.57 114.58 114.65 2gdx h GLU 21 Ca -0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2gdx h GLU 21 Cb 0.09 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2gdx h GLU 21 CO 0.01 -0.13 0.14 0.82 -1.16 0.00 0.00 179.01 178.69 2gdx h ILE 22 N -0.33 1.02 -0.44 3.13 1.08 -1.33 -2.66 117.51 117.98 2gdx h ILE 22 Ca -0.02 -0.10 0.04 0.00 -0.39 0.00 0.00 64.86 64.38 2gdx h ILE 22 Cb 0.16 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 34.56 2gdx h ILE 22 CO 0.03 0.06 0.22 -0.50 -0.69 0.00 0.00 178.15 177.27 2gdx h TRP 23 N 0.30 0.41 -0.44 1.37 4.06 -1.19 -1.77 115.95 118.69 2gdx h TRP 23 Ca 0.10 0.02 -0.20 0.00 2.06 0.00 0.00 58.89 60.87 2gdx h TRP 23 Cb 0.01 -0.12 -0.12 0.00 -1.00 0.00 0.00 29.16 27.93 2gdx h TRP 23 CO -0.08 0.21 0.26 0.39 -3.56 0.00 0.00 178.44 175.65 2gdx n GLU 24 N -4.91 1.84 -0.00 0.49 -0.58 -0.97 -0.29 120.64 116.23 2gdx n GLU 24 Ca 0.03 -1.46 0.03 0.00 -0.42 0.00 0.00 57.16 55.33 2gdx n GLU 24 Cb 0.11 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 29.32 2gdx n GLU 24 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2gdx n ARG 25 N -0.18 3.02 -0.06 3.49 1.74 -0.68 -3.57 116.66 120.42 2gdx n ARG 25 Ca 0.26 -0.02 -0.07 0.00 -0.77 0.00 0.00 57.85 57.24 2gdx n ARG 25 Cb 1.00 -0.92 -0.06 0.00 -1.02 0.00 0.00 32.46 31.46 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 -1.38 0.66 0.00 1.55 0.31 -0.52 -4.89 118.33 114.06 2gdx n VAL 26 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2gdx n VAL 26 Cb 0.12 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 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 -2.74 0.00 0.02 7.52 7.94 0.60 -4.90 117.00 125.45 2gdx n LEU 27 Ca -0.19 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.66 2gdx n LEU 27 Cb 0.73 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.58 2gdx n LEU 27 CO 0.13 0.00 -0.26 1.23 -1.11 0.00 0.00 177.39 177.38 2gdx h GLY 28 N 0.00 0.00 -4.92 -3.96 0.00 -1.89 -3.48 103.07 88.82 2gdx h GLY 28 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2gdx h GLY 28 CO 0.00 0.00 -0.56 -0.62 0.00 0.00 0.00 176.54 175.36 2gdx n VAL 29 N -3.04 -2.76 0.00 4.60 0.31 -1.23 -4.78 118.33 111.42 2gdx n VAL 29 Ca -0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2gdx n VAL 29 Cb 0.93 -3.66 0.00 0.00 -0.91 0.00 0.00 33.84 30.20 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 -2.23 0.00 0.00 4.52 7.64 -1.26 -4.94 113.62 117.35 2gdx n SER 30 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2gdx n SER 30 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 3.80 -0.02 3.30 0.23 0.00 -1.25 -4.68 105.19 106.57 2gdx n GLY 31 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2gdx n GLY 31 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gdx s ILE 32 N 0.00 2.43 0.00 -0.61 1.10 -1.25 -1.43 121.20 121.44 2gdx s ILE 32 Ca 0.00 -0.90 0.00 0.00 -0.51 0.00 0.00 60.65 59.24 2gdx s ILE 32 Cb 0.00 -1.95 0.00 0.00 0.15 0.00 0.00 42.46 40.66 2gdx s ILE 32 CO 0.00 0.55 0.00 0.61 -2.11 0.00 0.00 174.94 173.99 2gdx n GLY 33 N 3.28 0.45 2.68 1.50 0.00 -1.24 -4.88 105.19 106.99 2gdx n GLY 33 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 3.53 -1.43 -0.61 5.41 -0.87 -3.59 119.36 121.80 2gdx n ILE 34 Ca 0.00 -2.89 0.00 0.00 1.00 0.00 0.00 62.75 60.86 2gdx n ILE 34 Cb 0.00 -2.60 0.00 0.00 -0.71 0.00 0.00 39.64 36.33 2gdx n ILE 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2gdx n LEU 35 N 5.74 0.00 0.00 1.39 0.00 -1.26 -5.04 117.00 117.83 2gdx n LEU 35 Ca 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.48 2gdx n LEU 35 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.78 2gdx n LEU 35 CO 0.90 0.15 0.00 0.47 0.00 0.00 0.00 177.39 178.91 2gdx n ASP 36 N 0.00 0.00 0.00 1.96 9.92 -1.24 -4.80 116.55 122.39 2gdx n ASP 36 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2gdx n ASP 36 Cb 0.35 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 2gdx n ASP 36 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2gdx n ASN 37 N 9.57 0.00 -0.10 -2.24 2.85 -1.26 -3.10 115.26 120.98 2gdx n ASN 37 Ca 0.00 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.25 2gdx n ASN 37 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 2gdx n ASN 37 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2gdx n PHE 38 N 0.00 0.00 0.00 1.20 -0.00 -1.26 -4.78 117.46 112.62 2gdx n PHE 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2gdx n PHE 38 Cb 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 39.48 38.74 2gdx n PHE 38 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2gdx n PHE 39 N -4.04 0.00 0.33 -5.13 7.35 -1.18 -4.06 117.46 110.73 2gdx n PHE 39 Ca -0.39 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.50 2gdx n PHE 39 Cb 0.76 -0.02 1.13 0.00 0.35 0.00 0.00 39.48 41.69 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 0.00 -4.13 7.50 -1.90 -1.29 115.11 115.30 2gdx h GLN 40 Ca 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 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 -0.04 0.97 -1.50 0.00 0.00 178.83 178.27 2gdx h ILE 41 N 0.00 0.21 0.00 2.54 6.09 -1.82 0.30 117.51 124.83 2gdx h ILE 41 Ca -0.00 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 2gdx h ILE 41 Cb 0.02 1.23 0.00 0.00 0.47 0.00 0.00 36.82 38.53 2gdx h ILE 41 CO 0.00 0.04 0.00 0.61 -3.07 0.00 0.00 178.15 175.73 2gdx n GLY 42 N -0.71 0.83 3.59 8.18 0.00 -0.49 -4.12 105.19 112.46 2gdx n GLY 42 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.21 0.69 -1.04 -0.02 0.00 -1.18 -4.43 107.32 100.13 2gdx s GLY 43 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.42 2gdx s GLY 43 CO 0.00 3.22 1.83 -1.58 0.00 0.00 0.00 173.10 176.56 2gdx s HIS 44 N 7.21 2.09 0.97 1.90 2.46 -1.26 -4.95 115.29 123.71 2gdx s HIS 44 Ca 0.73 0.07 -0.16 0.00 0.47 0.00 0.00 55.06 56.16 2gdx s HIS 44 Cb -0.18 -4.23 0.20 0.00 -0.13 0.00 0.00 32.58 28.24 2gdx s HIS 44 CO 0.30 -1.65 1.33 -1.54 -2.47 0.00 0.00 174.74 170.71 2gdx s SER 45 N 6.64 3.06 -0.36 9.88 1.04 -1.26 -4.96 113.70 127.74 2gdx s SER 45 Ca 0.63 0.25 0.04 0.00 0.48 0.00 0.00 55.95 57.36 2gdx s SER 45 Cb -0.03 -0.28 0.56 0.00 0.10 0.00 0.00 66.02 66.37 2gdx s SER 45 CO 0.02 -2.77 1.74 0.00 0.98 0.00 0.00 173.24 173.22 2gdx n LEU 46 N -3.79 6.02 -4.81 2.42 -0.00 -1.26 -4.74 117.00 110.83 2gdx n LEU 46 Ca 0.15 -3.19 -0.22 0.00 -0.00 0.00 0.00 56.01 52.75 2gdx n LEU 46 Cb 0.59 -0.77 -0.04 0.00 -0.00 0.00 0.00 43.42 43.20 2gdx n LEU 46 CO 0.45 0.93 -0.14 -0.75 -0.00 0.00 0.00 177.39 177.89 2gdx s LYS 47 N -2.71 2.69 0.24 1.47 2.47 -1.26 -5.03 119.74 117.62 2gdx s LYS 47 Ca 0.47 -1.28 -0.06 0.00 -1.56 0.00 0.00 55.97 53.53 2gdx s LYS 47 Cb 0.39 -2.43 0.28 0.00 -1.46 0.00 0.00 37.83 34.61 2gdx s LYS 47 CO 0.09 0.19 1.90 0.00 0.16 0.00 0.00 175.35 177.69 2gdx h ALA 48 N 1.39 1.21 -0.44 3.13 0.00 -2.00 -1.69 119.26 120.86 2gdx h ALA 48 Ca -0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2gdx h ALA 48 Cb 1.25 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2gdx h ALA 48 CO 0.60 0.49 0.22 1.98 0.00 0.00 0.00 179.25 182.54 2gdx h MET 49 N 1.19 0.61 -0.16 0.00 -1.53 -1.97 0.85 114.93 113.92 2gdx h MET 49 Ca 0.36 -0.06 -0.13 0.00 -3.44 0.00 0.00 59.70 56.43 2gdx h MET 49 Cb -0.03 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 30.88 2gdx h MET 49 CO -0.11 0.47 -0.45 0.00 0.14 0.00 0.00 176.91 176.96 2gdx h ALA 50 N 1.63 0.94 -0.16 0.39 0.00 -1.62 -1.07 119.26 119.38 2gdx h ALA 50 Ca 0.16 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 2gdx h ALA 50 Cb 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2gdx h ALA 50 CO -0.02 0.64 -0.54 0.28 0.00 0.00 0.00 179.25 179.61 2gdx h VAL 51 N 0.31 1.33 0.00 0.00 2.07 -0.98 -2.75 116.25 116.23 2gdx h VAL 51 Ca 0.02 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 2gdx h VAL 51 Cb 0.92 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2gdx h VAL 51 CO 0.08 0.55 -0.06 0.00 0.02 0.00 0.00 177.57 178.16 2gdx h ALA 52 N 0.54 1.26 -0.07 1.67 0.00 -0.69 -0.11 119.26 121.86 2gdx h ALA 52 Ca -0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2gdx h ALA 52 Cb 1.16 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2gdx h ALA 52 CO 0.11 0.07 -0.54 0.00 0.00 0.00 0.00 179.25 178.90 2gdx h ALA 53 N 1.94 0.17 0.00 0.00 0.00 -1.03 -1.12 119.26 119.21 2gdx h ALA 53 Ca -0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 2gdx h ALA 53 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2gdx h ALA 53 CO 0.01 0.38 -0.34 -0.56 0.00 0.00 0.00 179.25 178.74 2gdx h GLN 54 N 0.07 0.00 0.00 0.00 3.07 -1.09 -2.71 115.11 114.46 2gdx h GLN 54 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2gdx h GLN 54 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 2gdx h GLN 54 CO 0.11 0.34 -0.57 1.55 0.09 0.00 0.00 178.83 180.35 2gdx n VAL 55 N -3.32 0.38 0.08 1.86 3.14 -0.12 -1.39 118.33 118.96 2gdx n VAL 55 Ca 0.01 -0.28 0.01 0.00 -2.96 0.00 0.00 64.34 61.13 2gdx n VAL 55 Cb 0.57 -0.17 0.35 0.00 -1.06 0.00 0.00 33.84 33.53 2gdx n VAL 55 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 2gdx h HIS 56 N 0.00 0.33 -0.01 1.45 2.76 -0.85 -2.53 115.15 116.30 2gdx h HIS 56 Ca 0.00 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2gdx h HIS 56 Cb 0.75 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.61 2gdx h HIS 56 CO 0.00 0.44 -0.02 -2.13 -1.30 0.00 0.00 177.93 174.91 2gdx n ARG 57 N -4.25 0.35 -3.06 5.26 3.00 -1.25 -5.06 116.66 111.64 2gdx n ARG 57 Ca -0.00 -0.85 -0.12 0.00 -0.00 0.00 0.00 57.85 56.88 2gdx n ARG 57 Cb 0.28 -1.11 0.01 0.00 0.00 0.00 0.00 32.46 31.64 2gdx n ARG 57 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2gdx n GLU 58 N 0.28 -2.05 -2.22 -0.14 4.07 -0.77 -4.55 120.64 115.26 2gdx n GLU 58 Ca 0.04 1.80 -0.03 0.00 -0.06 0.00 0.00 57.16 58.91 2gdx n GLU 58 Cb 0.17 -3.56 0.00 0.00 -0.06 0.00 0.00 31.44 27.99 2gdx n GLU 58 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2gdx n TYR 59 N 0.37 -1.66 -0.09 4.31 4.01 -0.49 -5.00 117.16 118.61 2gdx n TYR 59 Ca 0.01 0.66 -0.17 0.00 -0.16 0.00 0.00 57.90 58.24 2gdx n TYR 59 Cb 0.41 -2.81 -0.13 0.00 -0.31 0.00 0.00 39.34 36.50 2gdx n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gdx n GLN 60 N -0.77 0.68 -3.89 -0.72 0.00 -1.26 -5.11 117.38 106.31 2gdx n GLN 60 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 57.00 57.19 2gdx n GLN 60 Cb 0.33 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 29.00 2gdx n GLN 60 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 2gdx n VAL 61 N -3.20 0.00 -0.03 -0.39 3.14 -1.26 -5.00 118.33 111.59 2gdx n VAL 61 Ca -0.39 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 60.90 2gdx n VAL 61 Cb 1.04 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.78 2gdx n VAL 61 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2gdx h GLU 62 N 0.18 0.11 -6.02 1.45 3.07 -2.01 -3.42 114.58 107.94 2gdx h GLU 62 Ca 0.00 -0.01 -0.57 0.00 -0.50 0.00 0.00 59.36 58.28 2gdx h GLU 62 Cb 0.00 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.83 2gdx h GLU 62 CO 0.00 0.07 -0.04 -0.51 -1.40 0.00 0.00 179.01 177.14 2gdx s LEU 63 N -10.27 4.39 -1.55 1.33 1.43 -1.26 -4.76 118.68 107.99 2gdx s LEU 63 Ca -0.13 1.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.97 2gdx s LEU 63 Cb 0.09 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.35 2gdx s LEU 63 CO 0.68 0.08 2.93 -2.65 0.23 0.00 0.00 176.35 177.62 2gdx n PRO 64 N 2.89 3.75 -2.12 1.29 -0.02 -1.26 -4.94 135.00 134.59 2gdx n PRO 64 Ca -0.07 -2.30 -0.43 0.00 -2.02 0.00 0.00 63.50 58.69 2gdx n PRO 64 Cb 0.51 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 2gdx n PRO 64 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2gdx s LEU 65 N -0.07 4.00 -1.31 2.45 0.05 -1.26 -2.40 118.68 120.14 2gdx s LEU 65 Ca 0.68 1.75 0.00 0.00 0.05 0.00 0.00 54.13 56.61 2gdx s LEU 65 Cb 0.18 -3.53 0.00 0.00 -2.05 0.00 0.00 46.19 40.79 2gdx s LEU 65 CO -0.06 -1.15 0.00 0.29 -0.55 0.00 0.00 176.35 174.87 2gdx n LYS 66 N 7.47 -0.97 -0.01 1.48 5.02 0.20 -4.81 118.16 126.55 2gdx n LYS 66 Ca 0.18 0.92 0.06 0.00 -2.02 0.00 0.00 58.31 57.45 2gdx n LYS 66 Cb 0.45 -4.98 -0.11 0.00 -0.02 0.00 0.00 35.03 30.36 2gdx n LYS 66 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2gdx n VAL 67 N -2.59 0.09 0.00 -0.18 0.31 -1.12 -4.90 118.33 109.93 2gdx n VAL 67 Ca -0.12 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2gdx n VAL 67 Cb 0.43 0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 2gdx n VAL 67 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gdx n LEU 68 N -2.05 0.00 0.00 7.52 4.77 -1.24 -4.84 117.00 121.16 2gdx n LEU 68 Ca -0.04 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 2gdx n LEU 68 Cb 0.43 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2gdx n LEU 68 CO 0.30 0.00 -0.02 0.49 -1.33 0.00 0.00 177.39 176.83 2gdx n PHE 69 N 0.00 -0.30 -3.26 -1.77 3.72 -1.01 -4.84 117.46 110.00 2gdx n PHE 69 Ca 0.00 -1.78 -0.15 0.00 -0.05 0.00 0.00 57.45 55.47 2gdx n PHE 69 Cb 0.00 -0.31 0.08 0.00 -0.94 0.00 0.00 39.48 38.31 2gdx n PHE 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gdx n ALA 70 N -2.04 -2.18 -3.35 4.37 0.00 0.09 -0.62 120.51 116.78 2gdx n ALA 70 Ca -0.14 0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 2gdx n ALA 70 Cb 0.47 -4.07 -0.08 0.00 0.00 0.00 0.00 19.45 15.78 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 -4.78 0.37 -0.39 0.00 -1.52 -1.20 -3.97 119.66 108.16 2gdx s GLN 71 Ca 0.23 0.02 -0.29 0.00 -1.95 0.00 0.00 55.36 53.37 2gdx s GLN 71 Cb -0.03 -0.46 -0.08 0.00 -0.22 0.00 0.00 33.01 32.22 2gdx s GLN 71 CO 0.70 -1.03 2.32 -2.30 -0.25 0.00 0.00 175.29 174.73 2gdx n PRO 72 N 5.34 1.31 -1.78 2.91 -0.02 -1.26 -3.55 135.00 137.94 2gdx n PRO 72 Ca -0.01 0.26 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 2gdx n PRO 72 Cb 0.48 -3.02 -0.01 0.00 -0.02 0.00 0.00 33.50 30.93 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 7.71 -6.74 1.22 3.45 -1.04 -1.26 -4.88 114.28 112.74 2gdx n THR 73 Ca 0.37 1.14 0.02 0.00 -2.04 0.00 0.00 64.05 63.55 2gdx n THR 73 Cb 0.40 -4.53 0.08 0.00 -1.82 0.00 0.00 70.33 64.47 2gdx n THR 73 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2gdx n ILE 74 N 0.68 0.33 0.02 12.58 5.41 -1.23 -4.00 119.36 133.16 2gdx n ILE 74 Ca -0.11 -0.25 -0.11 0.00 1.00 0.00 0.00 62.75 63.28 2gdx n ILE 74 Cb 0.17 -0.05 -0.05 0.00 -0.71 0.00 0.00 39.64 39.00 2gdx n ILE 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2gdx h LYS 75 N 0.95 -0.05 -0.90 0.38 3.64 -1.90 0.54 116.57 119.24 2gdx h LYS 75 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2gdx h LYS 75 Cb 0.39 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2gdx h LYS 75 CO 0.03 -0.03 0.50 0.00 -2.27 0.00 0.00 179.45 177.68 2gdx h ALA 76 N 1.00 1.15 -0.34 5.00 0.00 -1.95 -1.94 119.26 122.18 2gdx h ALA 76 Ca 0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2gdx h ALA 76 Cb 0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2gdx h ALA 76 CO -0.08 0.65 -0.20 1.25 0.00 0.00 0.00 179.25 180.86 2gdx h LEU 77 N 1.25 0.64 -1.42 0.00 7.12 -1.75 -2.62 115.31 118.53 2gdx h LEU 77 Ca 0.32 -0.21 -0.03 0.00 0.13 0.00 0.00 57.88 58.08 2gdx h LEU 77 Cb 0.01 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 39.95 2gdx h LEU 77 CO -0.05 0.85 0.02 0.00 -0.13 0.00 0.00 178.44 179.12 2gdx h ALA 78 N 1.21 1.53 -0.61 1.25 0.00 -0.12 0.45 119.26 122.97 2gdx h ALA 78 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gdx h ALA 78 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2gdx h ALA 78 CO 0.05 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2gdx n GLN 79 N -4.34 4.14 0.00 0.00 10.64 -1.00 -2.84 117.38 123.99 2gdx n GLN 79 Ca 0.01 -2.93 0.00 0.00 -1.83 0.00 0.00 57.00 52.25 2gdx n GLN 79 Cb 0.20 -2.03 0.00 0.00 -0.86 0.00 0.00 30.24 27.54 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 0.93 0.00 0.03 2.61 4.01 -0.44 -4.90 117.16 119.41 2gdx n TYR 80 Ca 0.26 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 58.00 2gdx n TYR 80 Cb 1.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.95 2gdx n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2gdx n VAL 81 N -0.38 1.20 0.17 -0.72 0.31 -0.54 -3.94 118.33 114.43 2gdx n VAL 81 Ca 0.00 -0.69 0.03 0.00 -0.01 0.00 0.00 64.34 63.67 2gdx n VAL 81 Cb 0.00 -0.75 0.30 0.00 -0.91 0.00 0.00 33.84 32.48 2gdx n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gdx h ALA 82 N 1.41 1.07 0.00 3.52 0.00 -1.15 -3.28 119.26 120.83 2gdx h ALA 82 Ca -0.17 -0.41 -0.48 0.00 0.00 0.00 0.00 54.91 53.85 2gdx h ALA 82 Cb 1.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2gdx h ALA 82 CO 0.05 0.56 2.33 2.41 0.00 0.00 0.00 179.25 184.60 2gdx n THR 83 N -3.74 3.69 -2.08 0.00 -1.04 -1.13 -3.81 114.28 106.17 2gdx n THR 83 Ca -0.01 -2.10 0.02 0.00 -2.04 0.00 0.00 64.05 59.92 2gdx n THR 83 Cb 0.52 -2.36 0.03 0.00 -1.82 0.00 0.00 70.33 66.69 2gdx n THR 83 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2gdx n ARG 84 N 3.26 0.18 0.00 -2.82 5.12 -1.24 -4.98 116.66 116.18 2gdx n ARG 84 Ca 0.63 -1.58 0.10 0.00 -1.93 0.00 0.00 57.85 55.07 2gdx n ARG 84 Cb 0.45 -0.46 0.08 0.00 -1.16 0.00 0.00 32.46 31.37 2gdx n ARG 84 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13