#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gah s ILE 4 N 0.00 5.27 -0.84 1.96 1.01 -0.08 -4.86 121.20 123.66 2gah s ILE 4 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.56 2gah s ILE 4 Cb 0.00 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.88 2gah s ILE 4 CO 0.00 0.16 1.45 -0.62 0.00 0.00 0.00 174.94 175.93 2gah s ASP 5 N 1.73 6.11 0.16 3.58 -1.08 -1.26 -1.32 116.67 124.59 2gah s ASP 5 Ca 0.09 -0.74 -0.31 0.00 -0.52 0.00 0.00 52.55 51.06 2gah s ASP 5 Cb -0.16 -2.56 -0.10 0.00 -1.46 0.00 0.00 42.92 38.64 2gah s ASP 5 CO 0.11 -1.85 1.50 0.00 0.52 0.00 0.00 175.17 175.45 2gah h PRO 7 N 6.54 0.00 0.00 0.00 0.11 -1.93 -0.23 132.00 136.49 2gah h PRO 7 Ca -0.43 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.45 2gah h PRO 7 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2gah h PRO 7 CO 0.88 0.00 -1.88 0.09 -0.21 0.00 0.00 178.00 176.88 2gah n ASN 8 N -3.54 2.69 -0.00 -2.05 5.03 -1.26 -4.76 115.26 111.37 2gah n ASN 8 Ca 0.03 -0.07 0.10 0.00 0.87 0.00 0.00 54.58 55.50 2gah n ASN 8 Cb 0.46 -0.13 -0.12 0.00 -1.02 0.00 0.00 39.78 38.97 2gah n ASN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2gah n GLY 10 N 1.47 -2.08 3.68 0.00 0.00 -0.11 -4.86 105.19 103.28 2gah n GLY 10 Ca 0.03 -1.61 -0.49 0.00 0.00 0.00 0.00 46.02 43.94 2gah n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gah n PRO 11 N -0.08 1.98 -4.01 1.61 -0.02 -1.26 -1.38 135.00 131.84 2gah n PRO 11 Ca 0.00 0.72 -0.08 0.00 -2.02 0.00 0.00 63.50 62.12 2gah n PRO 11 Cb 0.00 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 30.85 2gah n PRO 11 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2gah s ARG 12 N 3.32 0.41 0.55 -0.52 1.81 -0.44 -4.93 118.95 119.15 2gah s ARG 12 Ca 0.91 -0.79 -0.20 0.00 -1.72 0.00 0.00 55.73 53.92 2gah s ARG 12 Cb -0.76 0.14 -0.05 0.00 -0.45 0.00 0.00 34.95 33.84 2gah s ARG 12 CO 0.51 -0.07 1.23 -0.80 -0.68 0.00 0.00 175.30 175.49 2gah s ASN 13 N -1.92 5.46 0.42 0.23 0.01 -1.26 -0.90 114.94 116.98 2gah s ASN 13 Ca -0.09 2.45 0.20 0.00 -0.71 0.00 0.00 52.86 54.71 2gah s ASN 13 Cb -0.04 -2.61 1.14 0.00 0.41 0.00 0.00 41.25 40.15 2gah s ASN 13 CO -0.04 -1.41 1.80 -0.08 -1.51 0.00 0.00 177.10 175.86 2gah h GLU 14 N 1.31 0.35 0.00 -0.60 4.22 -1.94 -0.55 114.58 117.37 2gah h GLU 14 Ca -0.50 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.92 2gah h GLU 14 Cb 1.29 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2gah h GLU 14 CO 0.57 0.23 0.00 0.27 -2.18 0.00 0.00 179.01 177.90 2gah n ASN 15 N -4.55 0.00 -0.37 1.04 6.94 -1.26 -2.04 115.26 115.02 2gah n ASN 15 Ca 0.23 -1.38 0.11 0.00 -0.02 0.00 0.00 54.58 53.53 2gah n ASN 15 Cb 0.86 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 38.36 2gah n ASN 15 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2gah n GLU 16 N -0.60 0.96 -4.44 -3.83 1.02 -0.22 -4.89 120.64 108.65 2gah n GLU 16 Ca 0.04 -0.75 -0.25 0.00 -0.02 0.00 0.00 57.16 56.18 2gah n GLU 16 Cb 0.02 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 2gah n GLU 16 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2gah s PHE 17 N -2.55 2.34 -0.07 -0.32 0.08 -0.86 -0.35 117.98 116.24 2gah s PHE 17 Ca 0.19 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.93 2gah s PHE 17 Cb 0.18 -1.06 -0.02 0.00 -0.57 0.00 0.00 43.02 41.54 2gah s PHE 17 CO 0.59 0.64 -0.13 0.21 -0.10 0.00 0.00 175.22 176.43 2gah s LYS 18 N -3.24 2.77 0.23 0.44 2.20 -0.36 -4.85 119.74 116.93 2gah s LYS 18 Ca 0.27 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 2gah s LYS 18 Cb -0.06 -2.48 -0.09 0.00 -1.51 0.00 0.00 37.83 33.69 2gah s LYS 18 CO 0.14 0.52 1.07 -0.47 -0.36 0.00 0.00 175.35 176.25 2gah s TYR 19 N -0.46 3.66 -0.67 4.03 5.04 -1.26 -2.04 117.35 125.64 2gah s TYR 19 Ca 0.06 1.70 0.07 0.00 -2.44 0.00 0.00 57.07 56.46 2gah s TYR 19 Cb -0.12 -3.23 0.18 0.00 0.35 0.00 0.00 41.96 39.14 2gah s TYR 19 CO 0.02 -0.39 1.09 0.41 -1.34 0.00 0.00 175.55 175.34 2gah n GLY 20 N 1.59 2.17 7.00 8.97 0.00 0.45 -4.94 105.19 120.43 2gah n GLY 20 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2gah n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gah n GLY 21 N 0.22 -0.01 3.70 -0.02 0.00 -1.25 -4.58 105.19 103.26 2gah n GLY 21 Ca 0.07 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 2gah n GLY 21 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gah n GLU 22 N 0.00 2.19 -3.10 1.61 2.13 -1.26 -0.51 120.64 121.70 2gah n GLU 22 Ca 0.00 0.77 -0.21 0.00 0.66 0.00 0.00 57.16 58.38 2gah n GLU 22 Cb 0.00 -2.38 0.01 0.00 0.27 0.00 0.00 31.44 29.33 2gah n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gah s ALA 23 N -0.90 3.94 -1.38 4.31 0.00 -0.44 -4.53 121.76 122.76 2gah s ALA 23 Ca 0.57 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 2gah s ALA 23 Cb -0.57 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 20.58 2gah s ALA 23 CO 0.60 -0.30 0.10 0.72 0.00 0.00 0.00 175.76 176.88 2gah n HIS 24 N -1.96 -0.95 -3.95 0.00 8.25 -1.26 -4.92 115.22 110.42 2gah n HIS 24 Ca 0.02 0.09 -0.33 0.00 -0.26 0.00 0.00 57.72 57.24 2gah n HIS 24 Cb 0.58 -3.46 -0.14 0.00 1.12 0.00 0.00 29.99 28.09 2gah n HIS 24 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2gah s VAL 25 N -2.87 2.58 0.43 1.59 1.01 -1.26 -5.10 120.40 116.78 2gah s VAL 25 Ca 0.05 -2.28 -0.02 0.00 0.00 0.00 0.00 61.98 59.73 2gah s VAL 25 Cb -0.02 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2gah s VAL 25 CO 0.06 -0.63 0.69 0.00 0.00 0.00 0.00 175.10 175.22 2gah s ALA 26 N 0.95 3.55 0.21 5.51 0.00 -1.26 -5.06 121.76 125.66 2gah s ALA 26 Ca 0.10 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 2gah s ALA 26 Cb -0.20 -2.36 -0.09 0.00 0.00 0.00 0.00 23.12 20.47 2gah s ALA 26 CO -0.07 -0.25 1.24 -0.47 0.00 0.00 0.00 175.76 176.22 2gah s TYR 27 N -2.57 3.34 0.31 0.00 5.04 -1.26 -4.95 117.35 117.26 2gah s TYR 27 Ca 0.45 1.37 -0.29 0.00 -2.44 0.00 0.00 57.07 56.15 2gah s TYR 27 Cb -0.10 -3.51 -0.12 0.00 0.35 0.00 0.00 41.96 38.58 2gah s TYR 27 CO 0.41 -1.47 1.45 -2.30 -1.34 0.00 0.00 175.55 172.30 2gah n PRO 28 N 2.27 2.37 -0.23 4.97 -0.02 -1.26 -4.86 135.00 138.24 2gah n PRO 28 Ca 0.04 0.84 0.07 0.00 -2.02 0.00 0.00 63.50 62.44 2gah n PRO 28 Cb 0.44 -2.53 0.34 0.00 -0.02 0.00 0.00 33.50 31.72 2gah n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gah h ALA 29 N 3.76 1.70 -2.22 3.55 0.00 -2.06 -3.35 119.26 120.65 2gah h ALA 29 Ca -0.47 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.01 2gah h ALA 29 Cb 1.26 -0.19 -0.34 0.00 0.00 0.00 0.00 17.79 18.51 2gah h ALA 29 CO 0.72 0.15 -0.71 0.34 0.00 0.00 0.00 179.25 179.74 2gah s ASP 30 N -6.05 1.91 0.30 0.00 2.15 -1.26 -5.02 116.67 108.70 2gah s ASP 30 Ca -0.10 -1.44 0.06 0.00 0.43 0.00 0.00 52.55 51.49 2gah s ASP 30 Cb 0.20 0.26 0.74 0.00 -0.30 0.00 0.00 42.92 43.83 2gah s ASP 30 CO 0.78 -0.32 1.76 -0.65 -0.17 0.00 0.00 175.17 176.57 2gah h PRO 31 N 7.53 0.67 0.00 4.34 0.11 -1.97 -0.60 132.00 142.08 2gah h PRO 31 Ca -0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2gah h PRO 31 Cb 1.04 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2gah h PRO 31 CO 0.27 0.45 0.00 0.72 -0.21 0.00 0.00 178.00 179.23 2gah n HIS 32 N -4.82 0.69 0.54 0.65 8.25 -1.26 -1.44 115.22 117.83 2gah n HIS 32 Ca 0.23 0.30 0.12 0.00 -0.26 0.00 0.00 57.72 58.11 2gah n HIS 32 Cb 0.59 -0.98 0.24 0.00 1.12 0.00 0.00 29.99 30.96 2gah n HIS 32 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gah h ALA 33 N 2.19 0.73 -2.46 -1.41 0.00 -1.54 -3.46 119.26 113.32 2gah h ALA 33 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2gah h ALA 33 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2gah h ALA 33 CO 0.00 0.00 0.09 -0.51 0.00 0.00 0.00 179.25 178.83 2gah s LEU 34 N -4.50 4.25 0.85 0.00 1.02 -0.52 -5.07 118.68 114.71 2gah s LEU 34 Ca 0.07 1.35 -0.12 0.00 0.02 0.00 0.00 54.13 55.45 2gah s LEU 34 Cb 0.12 -3.73 0.10 0.00 0.02 0.00 0.00 46.19 42.71 2gah s LEU 34 CO 0.68 -0.04 1.13 -0.94 0.02 0.00 0.00 176.35 177.20 2gah s SER 35 N -1.86 4.04 0.46 2.29 1.04 -1.26 -4.76 113.70 113.65 2gah s SER 35 Ca 0.46 1.05 0.13 0.00 0.48 0.00 0.00 55.95 58.07 2gah s SER 35 Cb -0.14 -1.68 1.05 0.00 0.10 0.00 0.00 66.02 65.34 2gah s SER 35 CO 0.20 -2.22 2.06 0.44 0.98 0.00 0.00 173.24 174.69 2gah h ASP 36 N -1.27 0.14 -0.07 7.02 5.19 -1.97 0.22 116.42 125.68 2gah h ASP 36 Ca -0.49 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 2gah h ASP 36 Cb 1.31 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.78 2gah h ASP 36 CO 0.62 0.17 -0.06 0.50 -3.12 0.00 0.00 179.24 177.35 2gah h LYS 37 N 0.16 0.16 -0.33 3.56 3.64 -1.99 -0.27 116.57 121.49 2gah h LYS 37 Ca 0.04 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2gah h LYS 37 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2gah h LYS 37 CO 0.00 0.58 -0.07 1.96 -2.27 0.00 0.00 179.45 179.66 2gah h GLN 38 N -0.25 0.55 -0.32 1.90 4.20 -1.76 -2.33 115.11 117.09 2gah h GLN 38 Ca 0.01 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.44 2gah h GLN 38 Cb 0.55 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2gah h GLN 38 CO 0.02 0.62 -0.35 2.35 -0.67 0.00 0.00 178.83 180.79 2gah h TRP 39 N 0.51 0.85 -0.29 2.96 2.91 -0.49 -2.57 115.95 119.83 2gah h TRP 39 Ca 0.10 -0.24 -0.05 0.00 1.13 0.00 0.00 58.89 59.83 2gah h TRP 39 Cb 0.43 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 2gah h TRP 39 CO 0.02 0.97 -0.05 0.66 -1.03 0.00 0.00 178.44 179.01 2gah h SER 40 N 0.60 0.43 -0.28 2.65 4.64 -0.62 -1.70 113.55 119.27 2gah h SER 40 Ca 0.06 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2gah h SER 40 Cb 0.89 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2gah h SER 40 CO 0.08 0.53 0.03 0.03 -0.87 0.00 0.00 176.83 176.63 2gah h ARG 41 N 0.43 0.47 -0.71 4.77 -0.00 -1.16 0.11 114.38 118.29 2gah h ARG 41 Ca 0.09 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.98 59.42 2gah h ARG 41 Cb 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.25 2gah h ARG 41 CO 0.02 0.59 0.35 -0.92 0.00 0.00 0.00 179.97 180.01 2gah h TYR 42 N 0.27 0.98 0.02 3.04 3.20 -1.07 -0.46 116.97 122.96 2gah h TYR 42 Ca 0.08 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 2gah h TYR 42 Cb 0.36 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.33 2gah h TYR 42 CO 0.03 0.71 -0.57 -0.07 -1.64 0.00 0.00 178.16 176.61 2gah h LEU 43 N 0.99 0.47 -0.36 2.82 3.38 -1.12 -3.42 115.31 118.07 2gah h LEU 43 Ca 0.25 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2gah h LEU 43 Cb 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2gah h LEU 43 CO -0.03 1.21 -0.02 0.49 0.09 0.00 0.00 178.44 180.17 2gah n PHE 44 N -4.25 0.00 -4.52 1.13 3.72 0.36 -5.04 117.46 108.85 2gah n PHE 44 Ca -0.11 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.95 2gah n PHE 44 Cb 0.67 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.09 2gah n PHE 44 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2gah s TYR 45 N -0.70 2.99 0.01 1.38 2.02 -0.18 -5.02 117.35 117.85 2gah s TYR 45 Ca 0.00 -0.08 -0.15 0.00 -0.37 0.00 0.00 57.07 56.47 2gah s TYR 45 Cb 0.00 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 2gah s TYR 45 CO 0.02 0.21 0.33 1.03 -1.57 0.00 0.00 175.55 175.57 2gah s ARG 46 N -0.40 0.76 0.67 -0.62 1.81 -1.26 -4.69 118.95 115.21 2gah s ARG 46 Ca 0.06 -0.33 -0.16 0.00 -1.72 0.00 0.00 55.73 53.58 2gah s ARG 46 Cb -0.12 0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 2gah s ARG 46 CO 0.02 -0.23 1.17 -0.65 -0.68 0.00 0.00 175.30 174.93 2gah s GLN 47 N -1.95 2.60 -0.32 3.54 -0.21 -1.26 -4.96 119.66 117.10 2gah s GLN 47 Ca -0.09 1.65 0.18 0.00 0.02 0.00 0.00 55.36 57.11 2gah s GLN 47 Cb -0.03 -1.90 0.46 0.00 1.00 0.00 0.00 33.01 32.54 2gah s GLN 47 CO 0.01 -1.46 1.06 -1.71 -2.12 0.00 0.00 175.29 171.07 2gah n ASN 48 N -2.29 0.91 -4.77 5.90 5.15 -1.26 -4.76 115.26 114.14 2gah n ASN 48 Ca 0.12 -2.52 -0.40 0.00 -0.60 0.00 0.00 54.58 51.19 2gah n ASN 48 Cb 0.51 -0.27 0.01 0.00 -0.53 0.00 0.00 39.78 39.50 2gah n ASN 48 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2gah s LYS 49 N -2.70 3.83 -0.57 1.20 1.02 -1.26 -4.98 119.74 116.28 2gah s LYS 49 Ca 0.26 2.46 -0.14 0.00 0.02 0.00 0.00 55.97 58.56 2gah s LYS 49 Cb 0.42 -2.76 0.14 0.00 -0.52 0.00 0.00 37.83 35.12 2gah s LYS 49 CO -0.00 -0.72 0.51 0.21 -0.92 0.00 0.00 175.35 174.44 2gah s LYS 50 N -2.33 2.99 0.00 1.68 2.20 -1.26 -4.73 119.74 118.29 2gah s LYS 50 Ca 0.58 -1.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 2gah s LYS 50 Cb -0.44 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.63 2gah s LYS 50 CO 0.58 -1.30 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 2gah n GLY 51 N 4.97 0.66 3.70 5.54 0.00 -1.26 -4.95 105.19 113.86 2gah n GLY 51 Ca -0.09 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2gah n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gah s ILE 52 N -4.00 2.89 -0.02 -0.61 1.01 -1.26 -0.46 121.20 118.75 2gah s ILE 52 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.14 2gah s ILE 52 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2gah s ILE 52 CO 0.00 0.01 -0.07 0.12 0.00 0.00 0.00 174.94 175.01 2gah s PHE 53 N 2.10 0.69 -0.44 3.97 5.36 0.36 -4.93 117.98 125.09 2gah s PHE 53 Ca 0.73 -0.15 -0.22 0.00 -0.96 0.00 0.00 56.93 56.33 2gah s PHE 53 Cb -0.41 -0.49 0.02 0.00 -0.34 0.00 0.00 43.02 41.80 2gah s PHE 53 CO 0.32 -0.06 0.69 0.00 -1.46 0.00 0.00 175.22 174.71 2gah s ALA 54 N 0.12 3.33 0.42 11.12 0.00 -1.26 -1.25 121.76 134.25 2gah s ALA 54 Ca -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.86 2gah s ALA 54 Cb -0.06 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2gah s ALA 54 CO -0.00 -1.81 0.08 -1.83 0.00 0.00 0.00 175.76 172.19 2gah s GLU 55 N 2.98 1.96 0.12 0.00 -1.05 0.12 -1.33 118.70 121.49 2gah s GLU 55 Ca 0.25 -2.19 0.09 0.00 -0.15 0.00 0.00 54.97 52.98 2gah s GLU 55 Cb -0.13 -0.96 -0.04 0.00 -0.44 0.00 0.00 34.13 32.56 2gah s GLU 55 CO 0.20 -0.37 -0.23 1.03 0.95 0.00 0.00 175.26 176.84 2gah s ARG 56 N -3.78 1.24 0.01 -4.83 0.52 0.33 -1.09 118.95 111.35 2gah s ARG 56 Ca 0.22 -1.25 -0.05 0.00 -0.52 0.00 0.00 55.73 54.12 2gah s ARG 56 Cb 0.04 -1.58 -0.00 0.00 0.52 0.00 0.00 34.95 33.92 2gah s ARG 56 CO 0.12 0.37 0.10 -1.58 0.02 0.00 0.00 175.30 174.32 2gah s TRP 57 N -1.17 0.09 -0.05 -0.53 0.52 -0.60 -0.41 118.94 116.77 2gah s TRP 57 Ca 0.10 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 56.04 2gah s TRP 57 Cb -0.10 -0.08 0.01 0.00 -1.15 0.00 0.00 33.47 32.15 2gah s TRP 57 CO 0.05 -0.26 -0.13 0.54 0.02 0.00 0.00 176.95 177.17 2gah s VAL 58 N -1.35 1.18 -1.39 4.03 0.11 -0.86 -1.49 120.40 120.63 2gah s VAL 58 Ca -0.14 -0.55 -0.14 0.00 -2.93 0.00 0.00 61.98 58.21 2gah s VAL 58 Cb -0.08 -1.05 0.07 0.00 -1.53 0.00 0.00 36.38 33.79 2gah s VAL 58 CO 0.01 0.36 2.04 1.57 -3.33 0.00 0.00 175.10 175.75 2gah n HIS 59 N 3.47 3.81 -0.33 1.54 -0.00 -0.71 -1.22 115.22 121.78 2gah n HIS 59 Ca -0.20 -2.94 0.10 0.00 0.46 0.00 0.00 57.72 55.13 2gah n HIS 59 Cb 0.53 -2.50 0.30 0.00 -0.12 0.00 0.00 29.99 28.20 2gah n HIS 59 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2gah h ALA 60 N 6.40 1.66 -0.16 1.57 0.00 -1.72 0.41 119.26 127.41 2gah h ALA 60 Ca 0.51 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2gah h ALA 60 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2gah h ALA 60 CO 1.73 0.08 0.00 0.00 0.00 0.00 0.00 179.25 181.06 2gah n ALA 61 N -2.38 2.52 -2.01 0.00 0.00 0.53 -4.60 120.51 114.57 2gah n ALA 61 Ca 0.19 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2gah n ALA 61 Cb 0.43 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2gah n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gah n GLY 62 N 0.99 3.00 0.02 0.00 0.00 -0.68 -4.97 105.19 103.55 2gah n GLY 62 Ca 0.13 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.86 2gah n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gah n ARG 64 N -1.61 -1.66 -3.87 0.00 1.74 0.14 -4.96 116.66 106.43 2gah n ARG 64 Ca 0.04 0.94 -0.32 0.00 -0.77 0.00 0.00 57.85 57.74 2gah n ARG 64 Cb 0.21 -5.44 -0.04 0.00 -1.02 0.00 0.00 32.46 26.16 2gah n ARG 64 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2gah s LYS 65 N -4.34 3.48 0.18 5.56 -0.14 -1.26 -4.71 119.74 118.50 2gah s LYS 65 Ca 0.00 -0.35 -0.10 0.00 -1.36 0.00 0.00 55.97 54.17 2gah s LYS 65 Cb 0.00 -3.02 -0.07 0.00 -1.68 0.00 0.00 37.83 33.07 2gah s LYS 65 CO 0.00 0.60 0.50 -1.58 -0.76 0.00 0.00 175.35 174.11 2gah s TRP 66 N -1.50 3.48 0.19 3.18 0.52 -1.26 -1.74 118.94 121.81 2gah s TRP 66 Ca 0.35 0.84 -0.22 0.00 0.02 0.00 0.00 56.10 57.09 2gah s TRP 66 Cb -0.13 -2.22 0.05 0.00 -1.15 0.00 0.00 33.47 30.02 2gah s TRP 66 CO 0.26 0.36 0.61 -0.59 0.02 0.00 0.00 176.95 177.60 2gah s PHE 67 N -1.68 -0.40 0.41 -1.98 -0.12 -0.56 -4.15 117.98 109.51 2gah s PHE 67 Ca 0.43 0.11 0.08 0.00 -0.05 0.00 0.00 56.93 57.50 2gah s PHE 67 Cb -0.12 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 42.82 2gah s PHE 67 CO 0.21 -0.94 0.45 -0.80 -0.05 0.00 0.00 175.22 174.09 2gah s ASN 68 N -2.80 5.31 0.00 1.98 -0.87 0.44 -1.56 114.94 117.43 2gah s ASN 68 Ca 0.04 -0.60 -0.28 0.00 -1.57 0.00 0.00 52.86 50.45 2gah s ASN 68 Cb -0.02 -0.63 0.08 0.00 -0.02 0.00 0.00 41.25 40.66 2gah s ASN 68 CO -0.07 -0.68 0.74 0.00 -2.57 0.00 0.00 177.10 174.52 2gah s ALA 69 N -2.41 -1.76 -0.20 0.60 0.00 -0.25 -1.55 121.76 116.19 2gah s ALA 69 Ca 0.51 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.50 2gah s ALA 69 Cb -0.06 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2gah s ALA 69 CO 0.30 -0.53 -0.04 -0.51 0.00 0.00 0.00 175.76 174.99 2gah s LEU 70 N -1.83 3.00 0.00 0.00 1.43 0.06 -0.70 118.68 120.64 2gah s LEU 70 Ca -0.04 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2gah s LEU 70 Cb -0.01 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 2gah s LEU 70 CO -0.01 0.03 -0.05 -0.60 0.23 0.00 0.00 176.35 175.95 2gah s ARG 71 N 1.20 0.40 -0.51 1.70 3.52 -0.38 -0.47 118.95 124.41 2gah s ARG 71 Ca 0.03 -0.27 -0.28 0.00 -0.13 0.00 0.00 55.73 55.08 2gah s ARG 71 Cb -0.14 -0.35 0.03 0.00 -1.56 0.00 0.00 34.95 32.93 2gah s ARG 71 CO -0.01 0.09 1.11 0.34 -0.81 0.00 0.00 175.30 176.03 2gah s ASP 72 N -0.36 6.54 0.00 -2.12 -1.08 -0.64 -0.49 116.67 118.52 2gah s ASP 72 Ca -0.00 0.26 0.05 0.00 -0.52 0.00 0.00 52.55 52.34 2gah s ASP 72 Cb -0.03 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 39.16 2gah s ASP 72 CO -0.00 -1.29 1.04 0.35 0.52 0.00 0.00 175.17 175.79 2gah n THR 73 N 6.70 1.09 -0.11 1.71 -2.24 0.39 0.14 114.28 121.96 2gah n THR 73 Ca 0.09 0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.97 2gah n THR 73 Cb 0.49 -1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 2gah n THR 73 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2gah n VAL 74 N -1.33 1.50 0.45 2.28 0.31 -1.26 -4.55 118.33 115.73 2gah n VAL 74 Ca 0.02 -0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.41 2gah n VAL 74 Cb 0.05 -2.14 0.20 0.00 -0.91 0.00 0.00 33.84 31.04 2gah n VAL 74 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2gah h THR 75 N -1.00 0.00 0.00 2.52 1.35 -1.93 -3.47 112.91 110.37 2gah h THR 75 Ca -0.31 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2gah h THR 75 Cb 1.19 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2gah h THR 75 CO -0.19 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 173.86 2gah n TYR 76 N -2.42 0.00 -2.53 4.73 4.02 0.36 -4.98 117.16 116.34 2gah n TYR 76 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 2gah n TYR 76 Cb 0.47 -0.81 -0.03 0.00 -0.02 0.00 0.00 39.34 38.95 2gah n TYR 76 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2gah s GLU 77 N -0.76 4.48 0.24 -0.72 2.12 -1.24 -4.71 118.70 118.11 2gah s GLU 77 Ca 0.00 1.63 -0.30 0.00 0.36 0.00 0.00 54.97 56.67 2gah s GLU 77 Cb 0.00 -3.40 -0.09 0.00 0.26 0.00 0.00 34.13 30.90 2gah s GLU 77 CO 0.00 -0.19 1.05 -0.06 -0.54 0.00 0.00 175.26 175.52 2gah s PHE 78 N 1.09 3.70 -0.03 5.30 0.08 -1.26 -1.62 117.98 125.25 2gah s PHE 78 Ca 0.56 1.74 0.06 0.00 0.12 0.00 0.00 56.93 59.41 2gah s PHE 78 Cb -0.26 -3.19 -0.10 0.00 -0.57 0.00 0.00 43.02 38.90 2gah s PHE 78 CO 0.28 -0.26 0.15 1.63 -0.10 0.00 0.00 175.22 176.92 2gah n LYS 79 N 1.60 0.49 -3.57 0.44 4.76 0.38 -4.97 118.16 117.29 2gah n LYS 79 Ca -0.00 -0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.28 2gah n LYS 79 Cb 0.46 -1.13 -0.05 0.00 -1.84 0.00 0.00 35.03 32.47 2gah n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gah s ALA 80 N -2.39 -1.92 -0.06 7.82 0.00 -1.15 -4.95 121.76 119.12 2gah s ALA 80 Ca -0.02 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2gah s ALA 80 Cb 0.04 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2gah s ALA 80 CO 0.26 -0.36 -0.04 0.42 0.00 0.00 0.00 175.76 176.05 2gah s ILE 81 N -1.34 0.58 0.10 0.00 -1.09 -1.26 -0.76 121.20 117.43 2gah s ILE 81 Ca -0.01 -0.10 -0.08 0.00 -2.23 0.00 0.00 60.65 58.23 2gah s ILE 81 Cb -0.00 -0.63 -0.01 0.00 -1.58 0.00 0.00 42.46 40.23 2gah s ILE 81 CO 0.01 0.26 0.18 -0.72 -1.23 0.00 0.00 174.94 173.43 2gah s TYR 82 N 1.26 0.24 0.38 3.97 -0.85 -0.59 -4.98 117.35 116.77 2gah s TYR 82 Ca -0.05 -0.67 -0.24 0.00 -0.52 0.00 0.00 57.07 55.58 2gah s TYR 82 Cb -0.14 -0.10 -0.13 0.00 0.38 0.00 0.00 41.96 41.97 2gah s TYR 82 CO -0.02 -0.55 0.61 -2.30 -1.52 0.00 0.00 175.55 171.77 2gah n PRO 83 N -0.07 0.62 -0.35 -3.49 -0.02 -1.26 -0.42 135.00 130.01 2gah n PRO 83 Ca -0.14 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.64 2gah n PRO 83 Cb 0.62 -1.49 0.24 0.00 -0.02 0.00 0.00 33.50 32.85 2gah n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gah h ALA 84 N 1.00 1.49 -0.31 3.55 0.00 -1.89 -1.82 119.26 121.27 2gah h ALA 84 Ca -0.39 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2gah h ALA 84 Cb 1.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2gah h ALA 84 CO 0.53 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2gah n GLY 85 N -1.34 1.32 3.83 0.00 0.00 -1.26 -4.84 105.19 102.90 2gah n GLY 85 Ca 0.19 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2gah n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gah s ALA 86 N -1.60 3.23 0.73 4.61 0.00 -0.69 -5.06 121.76 122.98 2gah s ALA 86 Ca 0.36 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 2gah s ALA 86 Cb 0.21 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.44 2gah s ALA 86 CO 0.30 0.26 1.07 -1.25 0.00 0.00 0.00 175.76 176.14 2gah s PRO 87 N -2.96 2.67 0.02 0.00 0.04 -1.26 -4.89 135.00 128.63 2gah s PRO 87 Ca 0.56 0.88 -0.32 0.00 0.04 0.00 0.00 61.00 62.16 2gah s PRO 87 Cb -0.10 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 2gah s PRO 87 CO 0.16 -1.27 1.89 -2.13 0.04 0.00 0.00 177.00 175.70 2gah n ARG 88 N -3.23 2.59 0.00 4.56 0.63 -1.26 -4.93 116.66 115.01 2gah n ARG 88 Ca 0.07 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.95 2gah n ARG 88 Cb 0.54 -2.84 0.00 0.00 0.45 0.00 0.00 32.46 30.61 2gah n ARG 88 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2gah n PRO 89 N 6.58 3.33 -2.94 -0.14 -0.04 -1.26 -4.99 135.00 135.54 2gah n PRO 89 Ca 0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.53 2gah n PRO 89 Cb 0.36 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.85 2gah n PRO 89 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2gah n GLU 90 N 0.00 1.00 0.00 0.54 0.28 -1.26 -5.13 120.64 116.07 2gah n GLU 90 Ca 0.00 -2.60 0.00 0.00 -0.16 0.00 0.00 57.16 54.40 2gah n GLU 90 Cb 0.00 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.55 2gah n GLU 90 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41