#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gds s HIS 2 N 0.00 3.73 0.14 5.64 3.76 -1.26 -5.08 115.29 122.21 2gds s HIS 2 Ca 0.00 1.66 0.07 0.00 -0.15 0.00 0.00 55.06 56.64 2gds s HIS 2 Cb 0.00 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 2gds s HIS 2 CO 0.00 0.30 -0.17 -1.12 -0.85 0.00 0.00 174.74 172.90 2gds s SER 3 N -1.54 2.34 -0.39 1.40 0.01 -1.26 -4.94 113.70 109.32 2gds s SER 3 Ca 0.46 -0.81 -0.27 0.00 1.31 0.00 0.00 55.95 56.64 2gds s SER 3 Cb -0.19 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 65.95 2gds s SER 3 CO 0.24 -0.07 0.99 -0.22 0.41 0.00 0.00 173.24 174.58 2gds s LEU 4 N -2.46 3.92 0.54 2.44 2.96 -1.26 -5.01 118.68 119.82 2gds s LEU 4 Ca 0.11 0.57 -0.21 0.00 -0.22 0.00 0.00 54.13 54.38 2gds s LEU 4 Cb -0.06 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 2gds s LEU 4 CO 0.05 -0.96 1.25 -2.16 -1.32 0.00 0.00 176.35 173.21 2gds s PRO 5 N 3.72 3.24 0.36 0.98 0.04 -1.26 -4.98 135.00 137.11 2gds s PRO 5 Ca 0.41 1.96 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 2gds s PRO 5 Cb -0.11 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 2gds s PRO 5 CO 0.22 -1.02 1.11 -0.51 0.04 0.00 0.00 177.00 176.83 2gds s ASP 6 N -1.29 6.82 0.23 6.66 -0.00 -1.26 -4.98 116.67 122.84 2gds s ASP 6 Ca 0.72 2.23 -0.30 0.00 -0.00 0.00 0.00 52.55 55.20 2gds s ASP 6 Cb -0.34 -2.61 -0.09 0.00 -0.00 0.00 0.00 42.92 39.88 2gds s ASP 6 CO 0.39 -0.46 1.29 -0.22 -0.00 0.00 0.00 175.17 176.17 2gds s LEU 7 N -2.23 4.43 0.00 1.23 2.96 -1.26 -4.89 118.68 118.91 2gds s LEU 7 Ca 0.54 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.89 2gds s LEU 7 Cb -0.28 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.79 2gds s LEU 7 CO 0.36 -0.49 0.52 -0.81 -1.32 0.00 0.00 176.35 174.60 2gds n PRO 8 N 2.14 0.97 -3.67 0.98 -0.04 -1.26 -4.79 135.00 129.32 2gds n PRO 8 Ca 0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2gds n PRO 8 Cb 0.43 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2gds n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2gds s TYR 9 N -1.07 -0.24 0.68 0.54 1.13 -1.26 -5.05 117.35 112.07 2gds s TYR 9 Ca 0.00 -0.04 -0.11 0.00 -1.41 0.00 0.00 57.07 55.51 2gds s TYR 9 Cb 0.00 0.62 -0.00 0.00 -1.10 0.00 0.00 41.96 41.47 2gds s TYR 9 CO 0.00 -0.84 1.06 0.34 -2.51 0.00 0.00 175.55 173.60 2gds s ASP 10 N -2.80 5.61 0.27 -0.18 2.15 -1.26 -4.97 116.67 115.49 2gds s ASP 10 Ca 0.09 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.53 2gds s ASP 10 Cb -0.02 -2.37 0.54 0.00 -0.30 0.00 0.00 42.92 40.77 2gds s ASP 10 CO -0.02 -1.27 1.80 1.88 -0.17 0.00 0.00 175.17 177.39 2gds h TYR 11 N -0.60 0.96 -0.39 -5.34 0.05 -1.95 -2.02 116.97 107.68 2gds h TYR 11 Ca -0.44 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.37 2gds h TYR 11 Cb 1.21 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.66 2gds h TYR 11 CO 0.61 0.31 0.00 0.41 -1.05 0.00 0.00 178.16 178.44 2gds n GLY 12 N -1.33 1.77 0.14 3.88 0.00 -1.26 -4.03 105.19 104.37 2gds n GLY 12 Ca 0.18 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.81 2gds n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gds h ALA 13 N 3.47 1.00 -0.54 4.61 0.00 -1.70 -2.97 119.26 123.13 2gds h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gds h ALA 13 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2gds h ALA 13 CO 0.16 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.69 2gds n LEU 14 N -2.39 4.25 -4.77 0.00 4.77 -1.26 -4.24 117.00 113.37 2gds n LEU 14 Ca 0.03 -2.42 -0.38 0.00 -0.03 0.00 0.00 56.01 53.20 2gds n LEU 14 Cb 0.33 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2gds n LEU 14 CO 0.25 0.79 0.79 -1.61 -1.33 0.00 0.00 177.39 176.28 2gds s GLU 15 N -1.79 4.31 0.00 3.23 0.41 -1.13 -0.29 118.70 123.45 2gds s GLU 15 Ca 0.44 1.73 0.26 0.00 -0.41 0.00 0.00 54.97 57.00 2gds s GLU 15 Cb 0.29 -2.83 0.67 0.00 -1.78 0.00 0.00 34.13 30.47 2gds s GLU 15 CO 0.21 -0.07 1.51 -0.35 -0.49 0.00 0.00 175.26 176.08 2gds n PRO 16 N 0.46 0.68 -0.26 0.39 -0.04 -1.26 -4.88 135.00 130.08 2gds n PRO 16 Ca 0.02 -0.41 0.05 0.00 -0.04 0.00 0.00 63.50 63.12 2gds n PRO 16 Cb 0.47 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.59 2gds n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gds h HIS 17 N 1.00 -0.11 -3.25 0.54 3.86 -1.62 -3.35 115.15 112.22 2gds h HIS 17 Ca 0.00 0.06 -0.44 0.00 -1.16 0.00 0.00 60.37 58.83 2gds h HIS 17 Cb 0.51 0.17 -0.39 0.00 1.06 0.00 0.00 27.41 28.77 2gds h HIS 17 CO 0.00 -0.27 -0.76 0.42 0.86 0.00 0.00 177.93 178.18 2gds s ILE 18 N -6.13 0.28 0.98 2.45 1.01 0.60 -4.77 121.20 115.63 2gds s ILE 18 Ca -0.14 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 2gds s ILE 18 Cb 0.23 -0.54 0.18 0.00 0.01 0.00 0.00 42.46 42.34 2gds s ILE 18 CO 0.75 0.15 1.09 0.54 0.00 0.00 0.00 174.94 177.47 2gds s ASN 19 N 2.00 2.61 0.52 3.58 2.20 -1.26 -3.21 114.94 121.39 2gds s ASN 19 Ca 0.04 1.65 0.31 0.00 -0.94 0.00 0.00 52.86 53.92 2gds s ASN 19 Cb -0.13 -2.29 1.11 0.00 -2.00 0.00 0.00 41.25 37.94 2gds s ASN 19 CO -0.05 -3.20 1.89 0.00 -2.94 0.00 0.00 177.10 172.79 2gds h ALA 20 N -1.94 1.00 0.11 3.54 0.00 -1.91 -2.76 119.26 117.31 2gds h ALA 20 Ca -0.52 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.11 2gds h ALA 20 Cb 1.30 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.10 2gds h ALA 20 CO 0.50 0.01 -1.20 0.37 0.00 0.00 0.00 179.25 178.93 2gds h GLN 21 N 0.00 0.44 -0.33 0.00 4.15 -1.92 -0.28 115.11 117.17 2gds h GLN 21 Ca -0.00 -0.63 -0.09 0.00 0.77 0.00 0.00 58.65 58.70 2gds h GLN 21 Cb 0.64 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 2gds h GLN 21 CO 0.00 1.27 -0.14 0.82 -1.93 0.00 0.00 178.83 178.85 2gds h ILE 22 N 0.18 1.29 -0.33 2.39 2.04 -1.94 -2.42 117.51 118.72 2gds h ILE 22 Ca -0.15 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 2gds h ILE 22 Cb 1.89 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2gds h ILE 22 CO 0.21 0.40 0.08 0.24 0.00 0.00 0.00 178.15 179.09 2gds h MET 23 N 0.46 0.53 -0.23 2.37 2.86 -1.52 0.13 114.93 119.53 2gds h MET 23 Ca 0.08 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2gds h MET 23 Cb 0.67 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2gds h MET 23 CO 0.05 0.59 0.09 0.37 1.06 0.00 0.00 176.91 179.06 2gds h GLN 24 N 0.38 0.35 -0.03 1.72 4.15 -1.07 -2.57 115.11 118.04 2gds h GLN 24 Ca 0.10 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2gds h GLN 24 Cb 0.30 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 2gds h GLN 24 CO 0.00 0.41 0.01 -0.07 -1.93 0.00 0.00 178.83 177.24 2gds h LEU 25 N 0.21 0.05 -1.34 -2.39 3.38 -1.40 -1.23 115.31 112.60 2gds h LEU 25 Ca 0.08 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2gds h LEU 25 Cb 0.19 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2gds h LEU 25 CO -0.01 0.29 0.49 -0.74 0.09 0.00 0.00 178.44 178.57 2gds h HIS 26 N -0.19 0.81 0.00 1.13 2.76 -0.76 0.19 115.15 119.09 2gds h HIS 26 Ca 0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2gds h HIS 26 Cb 0.26 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2gds h HIS 26 CO 0.01 0.43 -0.34 1.25 -1.30 0.00 0.00 177.93 177.99 2gds h HIS 27 N 0.80 0.00 0.00 5.26 -0.00 -1.47 -1.77 115.15 117.97 2gds h HIS 27 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.69 2gds h HIS 27 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 2gds h HIS 27 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.93 178.59 2gds h SER 28 N -0.96 0.00 0.00 3.26 4.64 -1.30 -3.01 113.55 116.18 2gds h SER 28 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2gds h SER 28 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2gds h SER 28 CO 0.00 0.00 -1.07 0.29 -0.87 0.00 0.00 176.83 175.18 2gds n LYS 29 N -3.08 0.25 0.15 4.77 4.01 0.00 -4.48 118.16 119.78 2gds n LYS 29 Ca 0.01 0.10 -0.06 0.00 -0.51 0.00 0.00 58.31 57.85 2gds n LYS 29 Cb 0.34 -0.92 -0.03 0.00 -0.51 0.00 0.00 35.03 33.91 2gds n LYS 29 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 2gds h ASN 30 N -0.44 -0.34 -0.99 4.39 2.35 -1.45 -2.56 115.58 116.53 2gds h ASN 30 Ca -0.16 0.01 0.14 0.00 -0.55 0.00 0.00 56.30 55.74 2gds h ASN 30 Cb 0.86 0.09 -0.09 0.00 0.05 0.00 0.00 38.32 39.23 2gds h ASN 30 CO -0.10 -0.13 0.61 -0.74 -1.65 0.00 0.00 177.43 175.43 2gds h HIS 31 N -0.63 1.10 -0.61 1.19 2.76 -1.38 -1.39 115.15 116.19 2gds h HIS 31 Ca -0.04 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 2gds h HIS 31 Cb 0.31 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 2gds h HIS 31 CO 0.06 0.39 0.15 0.00 -1.30 0.00 0.00 177.93 177.23 2gds h ALA 32 N 1.56 1.12 -0.24 5.26 0.00 -1.62 -1.61 119.26 123.72 2gds h ALA 32 Ca 0.51 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2gds h ALA 32 Cb 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2gds h ALA 32 CO -0.30 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.34 2gds h ALA 33 N 1.25 1.21 0.04 0.00 0.00 -0.83 -2.11 119.26 118.81 2gds h ALA 33 Ca 0.20 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2gds h ALA 33 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2gds h ALA 33 CO -0.00 0.51 -0.02 1.88 0.00 0.00 0.00 179.25 181.62 2gds h TYR 34 N 0.39 -0.05 -0.96 0.00 0.05 -0.93 -2.31 116.97 113.17 2gds h TYR 34 Ca 0.06 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.92 2gds h TYR 34 Cb 0.58 0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.27 2gds h TYR 34 CO 0.02 0.22 0.62 0.28 -1.05 0.00 0.00 178.16 178.25 2gds h VAL 35 N -0.31 1.04 0.46 -2.88 2.07 -1.18 0.03 116.25 115.49 2gds h VAL 35 Ca -0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2gds h VAL 35 Cb 0.28 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2gds h VAL 35 CO 0.01 0.20 -0.22 -1.13 0.02 0.00 0.00 177.57 176.44 2gds h ASN 36 N 1.07 -0.53 -0.52 0.57 -0.73 -1.28 -2.84 115.58 111.33 2gds h ASN 36 Ca 0.43 -0.04 0.10 0.00 1.87 0.00 0.00 56.30 58.66 2gds h ASN 36 Cb 0.25 0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.95 2gds h ASN 36 CO -0.18 -0.11 0.35 0.78 -0.37 0.00 0.00 177.43 177.91 2gds h ASN 37 N -1.10 0.24 -0.20 1.15 2.35 -1.36 -1.20 115.58 115.45 2gds h ASN 37 Ca -0.06 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2gds h ASN 37 Cb 0.54 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2gds h ASN 37 CO 0.10 0.14 0.09 0.25 -1.65 0.00 0.00 177.43 176.37 2gds h LEU 38 N 0.26 0.27 -0.73 1.61 5.85 -1.02 0.11 115.31 121.66 2gds h LEU 38 Ca 0.24 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2gds h LEU 38 Cb 0.60 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2gds h LEU 38 CO -0.05 0.34 0.48 0.78 -0.34 0.00 0.00 178.44 179.65 2gds h ASN 39 N 0.19 0.83 -0.39 1.25 2.35 -0.99 0.21 115.58 119.03 2gds h ASN 39 Ca 0.07 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 2gds h ASN 39 Cb 0.14 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2gds h ASN 39 CO -0.01 0.59 -0.31 0.58 -1.65 0.00 0.00 177.43 176.64 2gds h VAL 40 N 0.98 1.27 -0.12 2.81 2.07 -1.19 -1.29 116.25 120.78 2gds h VAL 40 Ca 0.27 -1.47 -0.16 0.00 0.82 0.00 0.00 66.70 66.16 2gds h VAL 40 Cb -0.09 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2gds h VAL 40 CO -0.07 0.50 -0.63 0.74 0.02 0.00 0.00 177.57 178.13 2gds h THR 41 N 0.77 1.36 -0.19 2.57 2.02 -0.46 -1.61 112.91 117.37 2gds h THR 41 Ca 0.08 -1.96 -0.11 0.00 0.77 0.00 0.00 66.41 65.19 2gds h THR 41 Cb 0.88 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 2gds h THR 41 CO 0.08 0.59 -0.37 -0.08 0.37 0.00 0.00 175.52 176.11 2gds h GLU 42 N 0.31 0.41 0.04 6.66 4.81 -0.47 -0.47 114.58 125.88 2gds h GLU 42 Ca -0.01 -0.19 -0.23 0.00 -0.13 0.00 0.00 59.36 58.80 2gds h GLU 42 Cb 1.17 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2gds h GLU 42 CO 0.11 0.73 -1.04 1.49 -0.73 0.00 0.00 179.01 179.57 2gds h GLU 43 N 0.35 0.14 0.00 1.92 4.81 -1.13 -2.17 114.58 118.50 2gds h GLU 43 Ca 0.04 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 2gds h GLU 43 Cb 0.82 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2gds h GLU 43 CO 0.07 1.05 -0.51 0.87 -0.73 0.00 0.00 179.01 179.76 2gds h LYS 44 N 0.05 0.00 0.04 1.92 1.57 -1.15 -2.50 116.57 116.50 2gds h LYS 44 Ca -0.06 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 2gds h LYS 44 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.07 2gds h LYS 44 CO 0.15 0.51 -1.03 -0.92 -0.57 0.00 0.00 179.45 177.59 2gds h TYR 45 N 0.00 0.55 -0.57 -1.35 5.03 -1.05 -2.47 116.97 117.11 2gds h TYR 45 Ca -0.01 -0.33 -0.03 0.00 2.58 0.00 0.00 58.73 60.95 2gds h TYR 45 Cb 1.10 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.30 2gds h TYR 45 CO 0.00 1.18 0.26 0.37 -1.32 0.00 0.00 178.16 178.65 2gds h GLN 46 N 0.17 0.84 -0.48 1.82 5.75 -1.23 0.14 115.11 122.11 2gds h GLN 46 Ca -0.10 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.20 2gds h GLN 46 Cb 1.70 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 30.08 2gds h GLN 46 CO 0.17 0.70 0.03 0.93 -2.65 0.00 0.00 178.83 178.01 2gds h GLU 47 N 0.78 0.83 -0.30 1.69 5.08 -1.47 -1.56 114.58 119.63 2gds h GLU 47 Ca 0.19 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2gds h GLU 47 Cb 0.15 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2gds h GLU 47 CO -0.02 0.86 0.05 0.00 -1.00 0.00 0.00 179.01 178.90 2gds h ALA 48 N 0.94 0.40 -0.70 3.43 0.00 -1.15 -1.36 119.26 120.82 2gds h ALA 48 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2gds h ALA 48 Cb 0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2gds h ALA 48 CO 0.02 0.08 0.35 1.25 0.00 0.00 0.00 179.25 180.95 2gds h LEU 49 N 0.32 0.90 -1.11 0.00 5.85 -0.70 0.35 115.31 120.92 2gds h LEU 49 Ca 0.09 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2gds h LEU 49 Cb 0.33 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2gds h LEU 49 CO 0.00 0.77 -0.26 0.00 -0.34 0.00 0.00 178.44 178.61 2gds h ALA 50 N 1.17 1.03 -0.01 1.25 0.00 -1.19 -2.94 119.26 118.57 2gds h ALA 50 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gds h ALA 50 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2gds h ALA 50 CO -0.03 0.33 -0.44 1.17 0.00 0.00 0.00 179.25 180.28 2gds n LYS 51 N -3.45 0.69 -1.15 0.00 4.81 -0.52 -4.96 118.16 113.58 2gds n LYS 51 Ca -0.00 -0.48 -0.05 0.00 -0.87 0.00 0.00 58.31 56.91 2gds n LYS 51 Cb 0.44 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.98 2gds n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gds n GLY 52 N 1.41 0.76 3.53 3.14 0.00 -0.07 -4.97 105.19 108.99 2gds n GLY 52 Ca 0.09 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2gds n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gds s ASP 53 N -2.71 6.17 0.11 1.61 3.68 -0.16 -4.85 116.67 120.52 2gds s ASP 53 Ca 0.00 -0.58 -0.04 0.00 2.13 0.00 0.00 52.55 54.06 2gds s ASP 53 Cb 0.00 -2.53 -0.18 0.00 -1.45 0.00 0.00 42.92 38.76 2gds s ASP 53 CO 0.00 -1.75 1.23 0.58 0.13 0.00 0.00 175.17 175.36 2gds h VAL 54 N 6.02 1.46 0.11 1.11 2.07 -1.93 -2.74 116.25 122.35 2gds h VAL 54 Ca -0.28 -2.77 0.01 0.00 0.82 0.00 0.00 66.70 64.47 2gds h VAL 54 Cb 1.05 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 2gds h VAL 54 CO 1.26 0.82 -0.12 0.74 0.02 0.00 0.00 177.57 180.28 2gds h THR 55 N 0.14 0.72 -0.19 2.57 2.02 -1.98 -1.79 112.91 114.40 2gds h THR 55 Ca -0.10 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.09 2gds h THR 55 Cb 1.77 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2gds h THR 55 CO 0.18 0.00 0.09 0.00 0.37 0.00 0.00 175.52 176.16 2gds h ALA 56 N 0.60 0.22 -0.93 6.16 0.00 -1.97 0.53 119.26 123.88 2gds h ALA 56 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2gds h ALA 56 Cb 0.26 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2gds h ALA 56 CO -0.05 -0.33 0.55 1.96 0.00 0.00 0.00 179.25 181.39 2gds h GLN 57 N 0.20 0.83 -0.29 0.00 4.20 -1.34 -1.04 115.11 117.66 2gds h GLN 57 Ca 0.07 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 2gds h GLN 57 Cb 0.01 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 2gds h GLN 57 CO -0.05 0.55 -0.47 0.82 -0.67 0.00 0.00 178.83 179.01 2gds h ILE 58 N 0.86 1.29 0.00 2.54 2.04 -0.64 -2.78 117.51 120.81 2gds h ILE 58 Ca 0.47 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2gds h ILE 58 Cb 0.50 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2gds h ILE 58 CO -0.28 0.54 0.00 0.00 0.00 0.00 0.00 178.15 178.40 2gds n ALA 59 N -2.54 1.84 0.84 1.87 0.00 0.12 -2.52 120.51 120.12 2gds n ALA 59 Ca -0.03 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.45 2gds n ALA 59 Cb 0.58 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2gds n ALA 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gds n LEU 60 N -1.54 1.55 -0.12 0.00 4.77 -0.48 -4.57 117.00 116.62 2gds n LEU 60 Ca 0.04 -0.69 -0.07 0.00 -0.03 0.00 0.00 56.01 55.26 2gds n LEU 60 Cb 0.22 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2gds n LEU 60 CO 0.17 0.31 0.99 1.56 -1.33 0.00 0.00 177.39 179.09 2gds h GLN 61 N 1.53 0.40 -0.72 3.23 4.20 -1.27 -1.29 115.11 121.19 2gds h GLN 61 Ca 0.00 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.76 2gds h GLN 61 Cb 0.58 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 2gds h GLN 61 CO 0.00 0.26 0.41 -1.35 -0.67 0.00 0.00 178.83 177.48 2gds h PRO 62 N 0.41 0.71 -0.15 1.46 0.11 -1.80 0.18 132.00 132.92 2gds h PRO 62 Ca 0.16 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 2gds h PRO 62 Cb 0.04 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 2gds h PRO 62 CO -0.10 0.47 -0.52 0.00 -0.21 0.00 0.00 178.00 177.64 2gds h ALA 63 N 1.38 0.83 -0.12 -0.75 0.00 -1.82 -0.94 119.26 117.84 2gds h ALA 63 Ca 0.33 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 2gds h ALA 63 Cb 0.24 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2gds h ALA 63 CO -0.20 0.68 -0.74 1.25 0.00 0.00 0.00 179.25 180.23 2gds h LEU 64 N 0.33 0.87 -0.47 0.00 6.46 -0.44 -1.90 115.31 120.16 2gds h LEU 64 Ca 0.01 -0.65 -0.15 0.00 -0.12 0.00 0.00 57.88 56.98 2gds h LEU 64 Cb 1.02 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 2gds h LEU 64 CO 0.09 1.38 -0.33 0.50 -0.62 0.00 0.00 178.44 179.45 2gds h LYS 65 N 0.42 0.91 0.59 1.25 3.64 -0.64 0.16 116.57 122.90 2gds h LYS 65 Ca -0.06 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 2gds h LYS 65 Cb 1.38 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.20 2gds h LYS 65 CO 0.15 1.10 -0.28 0.35 -2.27 0.00 0.00 179.45 178.50 2gds h PHE 66 N 0.75 -0.73 -0.05 1.91 3.04 -1.19 0.24 116.94 120.92 2gds h PHE 66 Ca 0.07 -0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.86 2gds h PHE 66 Cb 0.91 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 2gds h PHE 66 CO 0.06 -0.41 -0.65 -0.91 -2.02 0.00 0.00 178.31 174.38 2gds h ASN 67 N -1.12 0.21 0.03 0.41 4.21 -1.44 0.14 115.58 118.03 2gds h ASN 67 Ca -0.08 -0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.30 2gds h ASN 67 Cb 0.65 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 2gds h ASN 67 CO 0.13 0.80 -0.02 1.23 -1.29 0.00 0.00 177.43 178.29 2gds h GLY 68 N 1.61 -0.04 1.00 2.83 0.00 -0.74 -2.24 103.07 105.49 2gds h GLY 68 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gds h GLY 68 CO 0.10 -0.02 0.41 -1.33 0.00 0.00 0.00 176.54 175.70 2gds h GLY 69 N -0.52 0.99 0.52 4.60 0.00 -0.95 -0.59 103.07 107.12 2gds h GLY 69 Ca -0.00 -0.41 0.11 0.00 0.00 0.00 0.00 47.33 47.03 2gds h GLY 69 CO 0.01 0.40 0.63 -1.33 0.00 0.00 0.00 176.54 176.25 2gds h GLY 70 N 0.93 1.61 1.22 4.60 0.00 -0.68 0.61 103.07 111.36 2gds h GLY 70 Ca 0.25 -0.43 -0.23 0.00 0.00 0.00 0.00 47.33 46.91 2gds h GLY 70 CO -0.05 0.19 -0.85 0.84 0.00 0.00 0.00 176.54 176.67 2gds h HIS 71 N 1.02 1.03 -0.17 5.60 6.17 -0.87 -2.19 115.15 125.75 2gds h HIS 71 Ca 0.49 -0.48 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 2gds h HIS 71 Cb 0.44 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.22 2gds h HIS 71 CO -0.00 1.31 0.01 0.82 0.71 0.00 0.00 177.93 180.78 2gds h ILE 72 N 0.48 1.25 0.77 6.26 2.04 -0.11 -2.41 117.51 125.78 2gds h ILE 72 Ca -0.07 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 2gds h ILE 72 Cb 1.48 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2gds h ILE 72 CO 0.17 0.24 -0.37 0.78 0.00 0.00 0.00 178.15 178.97 2gds h ASN 73 N 0.05 -0.88 -0.75 1.72 2.35 0.12 -2.78 115.58 115.41 2gds h ASN 73 Ca 0.05 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2gds h ASN 73 Cb 0.36 0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 2gds h ASN 73 CO 0.01 -0.59 0.47 0.45 -1.65 0.00 0.00 177.43 176.11 2gds h HIS 74 N -1.10 0.98 -0.65 1.19 3.86 -1.49 -0.95 115.15 116.99 2gds h HIS 74 Ca -0.11 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2gds h HIS 74 Cb 0.81 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.91 2gds h HIS 74 CO -0.01 0.64 0.40 0.77 0.86 0.00 0.00 177.93 180.59 2gds h SER 75 N 1.04 0.65 -0.35 2.45 0.02 -1.45 -1.48 113.55 114.42 2gds h SER 75 Ca 0.27 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.08 2gds h SER 75 Cb -0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2gds h SER 75 CO -0.05 0.45 -0.33 0.40 -1.14 0.00 0.00 176.83 176.16 2gds h ILE 76 N 0.78 1.27 -0.56 3.27 2.04 -1.13 -3.20 117.51 119.99 2gds h ILE 76 Ca 0.27 -1.49 0.02 0.00 1.00 0.00 0.00 64.86 64.65 2gds h ILE 76 Cb 0.04 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2gds h ILE 76 CO -0.11 0.50 0.35 0.15 0.00 0.00 0.00 178.15 179.04 2gds h PHE 77 N 0.74 0.66 -0.76 1.37 3.57 -0.64 -2.07 116.94 119.81 2gds h PHE 77 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2gds h PHE 77 Cb 0.90 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 2gds h PHE 77 CO 0.05 0.39 0.50 -1.49 -2.23 0.00 0.00 178.31 175.54 2gds h TRP 78 N 0.70 0.94 0.00 0.41 -0.00 -1.29 -1.66 115.95 115.06 2gds h TRP 78 Ca 0.22 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.13 2gds h TRP 78 Cb -0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 29.16 28.82 2gds h TRP 78 CO -0.05 0.58 0.00 1.79 -0.00 0.00 0.00 178.44 180.76 2gds h THR 79 N 1.01 0.00 0.00 1.49 1.35 -1.53 -2.81 112.91 112.43 2gds h THR 79 Ca 0.29 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2gds h THR 79 Cb -0.08 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2gds h THR 79 CO -0.08 0.00 -0.03 0.59 -0.25 0.00 0.00 175.52 175.75 2gds n ASN 80 N -3.01 0.59 -4.71 5.36 5.03 -0.64 -4.73 115.26 113.15 2gds n ASN 80 Ca 0.02 0.52 -0.24 0.00 0.87 0.00 0.00 54.58 55.75 2gds n ASN 80 Cb 0.36 -0.66 -0.07 0.00 -1.02 0.00 0.00 39.78 38.39 2gds n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2gds s LEU 81 N -4.08 3.46 -0.29 3.41 1.02 -1.06 0.69 118.68 121.82 2gds s LEU 81 Ca 0.11 -0.39 -0.24 0.00 0.02 0.00 0.00 54.13 53.63 2gds s LEU 81 Cb 0.14 -2.04 0.17 0.00 0.02 0.00 0.00 46.19 44.48 2gds s LEU 81 CO 0.59 0.03 1.31 -0.55 0.02 0.00 0.00 176.35 177.75 2gds s SER 82 N -3.36 -0.17 0.06 2.29 0.15 -0.28 -4.62 113.70 107.76 2gds s SER 82 Ca 0.30 0.32 0.10 0.00 0.70 0.00 0.00 55.95 57.37 2gds s SER 82 Cb -0.08 0.41 0.46 0.00 -1.71 0.00 0.00 66.02 65.10 2gds s SER 82 CO 0.21 -0.05 1.32 -0.81 1.20 0.00 0.00 173.24 175.11 2gds n PRO 83 N 1.94 0.03 -0.17 5.44 -0.04 -1.26 -1.14 135.00 139.80 2gds n PRO 83 Ca -0.12 0.41 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2gds n PRO 83 Cb 0.57 -1.58 0.16 0.00 -0.04 0.00 0.00 33.50 32.61 2gds n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2gds n ASN 84 N -1.65 2.95 -1.86 3.54 5.03 -1.26 -5.00 115.26 117.01 2gds n ASN 84 Ca 0.01 -1.89 0.00 0.00 0.87 0.00 0.00 54.58 53.57 2gds n ASN 84 Cb 0.09 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 2gds n ASN 84 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gds n GLY 85 N 0.84 0.28 0.00 7.41 0.00 -0.29 -5.00 105.19 108.42 2gds n GLY 85 Ca 0.13 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2gds n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gds n GLY 86 N 5.00 -3.22 7.00 -0.02 0.00 0.67 -4.63 105.19 109.99 2gds n GLY 86 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2gds n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gds n GLY 87 N -0.07 1.06 3.49 -0.02 0.00 -1.26 -4.79 105.19 103.60 2gds n GLY 87 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2gds n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gds s GLU 88 N 0.00 1.81 0.92 1.61 2.02 -1.26 -5.00 118.70 118.81 2gds s GLU 88 Ca 0.00 -1.16 -0.11 0.00 0.02 0.00 0.00 54.97 53.72 2gds s GLU 88 Cb 0.00 -2.12 0.15 0.00 0.10 0.00 0.00 34.13 32.26 2gds s GLU 88 CO 0.00 0.49 1.10 -1.25 0.02 0.00 0.00 175.26 175.62 2gds s PRO 89 N -2.08 1.00 0.27 0.39 0.04 -1.26 -5.03 135.00 128.33 2gds s PRO 89 Ca 0.18 1.20 0.11 0.00 0.04 0.00 0.00 61.00 62.53 2gds s PRO 89 Cb -0.11 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2gds s PRO 89 CO 0.10 -2.53 -0.11 0.15 0.04 0.00 0.00 177.00 174.65 2gds s LYS 90 N -4.73 1.97 2.16 4.56 1.02 -1.26 -4.61 119.74 118.84 2gds s LYS 90 Ca 0.65 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 55.05 2gds s LYS 90 Cb -0.21 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2gds s LYS 90 CO 0.58 0.35 0.00 0.41 -0.92 0.00 0.00 175.35 175.77 2gds n GLY 91 N -0.71 -1.07 0.31 -3.33 0.00 -1.26 -4.21 105.19 94.92 2gds n GLY 91 Ca -0.06 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.86 2gds n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2gds h GLU 92 N 0.00 0.33 -0.46 1.61 4.57 -1.99 -2.59 114.58 116.04 2gds h GLU 92 Ca 0.00 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 2gds h GLU 92 Cb 0.00 -0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 28.44 2gds h GLU 92 CO 0.00 0.22 -0.00 1.25 -1.18 0.00 0.00 179.01 179.30 2gds h LEU 93 N 0.34 -0.20 -1.68 1.64 5.85 -1.96 0.30 115.31 119.60 2gds h LEU 93 Ca 0.54 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.37 2gds h LEU 93 Cb 1.04 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2gds h LEU 93 CO -0.55 -0.07 0.16 0.25 -0.34 0.00 0.00 178.44 177.89 2gds h LEU 94 N 0.11 0.32 -0.19 2.25 5.85 -1.66 -0.09 115.31 121.91 2gds h LEU 94 Ca 0.23 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.74 2gds h LEU 94 Cb 0.34 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.30 2gds h LEU 94 CO -0.39 0.26 -0.67 -0.33 -0.34 0.00 0.00 178.44 176.97 2gds h GLU 95 N 0.38 0.79 -0.32 1.25 4.39 -0.89 -2.45 114.58 117.72 2gds h GLU 95 Ca 0.10 -0.59 -0.05 0.00 0.34 0.00 0.00 59.36 59.16 2gds h GLU 95 Cb 0.00 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2gds h GLU 95 CO -0.02 1.21 -0.02 0.00 -1.16 0.00 0.00 179.01 179.02 2gds h ALA 96 N 0.58 1.37 -0.54 3.43 0.00 0.15 -1.88 119.26 122.37 2gds h ALA 96 Ca -0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2gds h ALA 96 Cb 1.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2gds h ALA 96 CO 0.14 0.43 0.04 0.82 0.00 0.00 0.00 179.25 180.69 2gds h ILE 97 N 0.48 1.25 -0.72 0.00 2.04 -0.90 -2.24 117.51 117.41 2gds h ILE 97 Ca 0.10 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 2gds h ILE 97 Cb 0.34 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2gds h ILE 97 CO 0.01 0.36 0.31 0.11 0.00 0.00 0.00 178.15 178.94 2gds h LYS 98 N 0.83 1.06 0.61 2.37 1.79 -0.87 -0.60 116.57 121.77 2gds h LYS 98 Ca 0.16 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2gds h LYS 98 Cb 0.43 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2gds h LYS 98 CO 0.02 0.86 -0.29 0.00 -1.08 0.00 0.00 179.45 178.95 2gds h ARG 99 N 1.03 -0.79 0.00 3.15 3.08 -1.20 -0.18 114.38 119.46 2gds h ARG 99 Ca 0.24 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 2gds h ARG 99 Cb 0.18 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2gds h ARG 99 CO -0.02 -0.48 -0.15 -0.44 -1.07 0.00 0.00 179.97 177.80 2gds h ASP 100 N -1.12 0.00 0.00 7.04 3.45 -1.44 -3.36 116.42 121.00 2gds h ASP 100 Ca -0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.38 2gds h ASP 100 Cb 0.67 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 2gds h ASP 100 CO 0.14 0.15 0.00 0.49 -1.57 0.00 0.00 179.24 178.45 2gds n PHE 101 N -3.27 0.00 0.00 4.55 3.01 -0.23 -5.06 117.46 116.46 2gds n PHE 101 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2gds n PHE 101 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 2gds n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2gds n GLY 102 N 0.16 2.60 3.61 1.37 0.00 -0.08 -4.44 105.19 108.41 2gds n GLY 102 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 2gds n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gds s SER 103 N 0.00 0.09 0.17 1.61 1.04 -1.26 -4.65 113.70 110.70 2gds s SER 103 Ca 0.00 -1.03 -0.12 0.00 0.48 0.00 0.00 55.95 55.27 2gds s SER 103 Cb 0.00 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.82 2gds s SER 103 CO 0.00 -1.24 1.71 0.15 0.98 0.00 0.00 173.24 174.85 2gds h PHE 104 N 2.19 0.89 -0.12 5.02 3.57 -1.91 -2.10 116.94 124.47 2gds h PHE 104 Ca -0.27 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 2gds h PHE 104 Cb 1.25 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2gds h PHE 104 CO 0.70 0.72 -0.14 -0.44 -2.23 0.00 0.00 178.31 176.92 2gds h ASP 105 N 0.79 0.18 0.16 0.41 3.45 -1.97 -0.44 116.42 119.00 2gds h ASP 105 Ca 0.19 -0.04 -0.19 0.00 0.43 0.00 0.00 57.03 57.42 2gds h ASP 105 Cb 0.23 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 38.95 2gds h ASP 105 CO -0.01 0.35 -0.74 0.11 -1.57 0.00 0.00 179.24 177.38 2gds h LYS 106 N 0.18 0.50 -0.61 3.56 1.57 -1.78 -2.48 116.57 117.52 2gds h LYS 106 Ca 0.04 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 2gds h LYS 106 Cb 0.37 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2gds h LYS 106 CO 0.02 1.04 0.07 0.35 -0.57 0.00 0.00 179.45 180.36 2gds h PHE 107 N 0.34 1.09 -0.22 -1.35 3.04 -0.82 -2.18 116.94 116.84 2gds h PHE 107 Ca -0.04 -0.16 0.01 0.00 3.98 0.00 0.00 57.97 61.76 2gds h PHE 107 Cb 1.32 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 2gds h PHE 107 CO 0.05 0.95 0.13 -0.22 -2.02 0.00 0.00 178.31 177.20 2gds h LYS 108 N 0.93 0.26 -0.20 1.11 3.64 -1.03 -2.01 116.57 119.27 2gds h LYS 108 Ca 0.18 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2gds h LYS 108 Cb 0.46 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2gds h LYS 108 CO 0.02 0.17 0.11 0.93 -2.27 0.00 0.00 179.45 178.41 2gds h GLU 109 N 0.27 0.28 -0.31 1.90 5.08 -1.29 -1.42 114.58 119.09 2gds h GLU 109 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2gds h GLU 109 Cb -0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2gds h GLU 109 CO -0.04 0.27 0.20 0.87 -1.00 0.00 0.00 179.01 179.32 2gds h LYS 110 N 0.21 0.41 -0.04 2.33 1.57 -1.26 0.35 116.57 120.14 2gds h LYS 110 Ca 0.07 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 2gds h LYS 110 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2gds h LYS 110 CO -0.01 0.27 -0.55 1.25 -0.57 0.00 0.00 179.45 179.84 2gds h LEU 111 N 0.42 0.14 -0.61 2.94 5.85 -1.37 -0.48 115.31 122.20 2gds h LEU 111 Ca 0.11 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 2gds h LEU 111 Cb -0.05 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2gds h LEU 111 CO -0.03 0.66 -0.54 0.74 -0.34 0.00 0.00 178.44 178.94 2gds h THR 112 N 0.10 1.34 -0.12 1.05 2.02 -0.79 -1.92 112.91 114.58 2gds h THR 112 Ca -0.00 -1.80 -0.17 0.00 0.77 0.00 0.00 66.41 65.21 2gds h THR 112 Cb 1.00 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 2gds h THR 112 CO 0.08 0.55 -0.63 0.00 0.37 0.00 0.00 175.52 175.88 2gds h ALA 113 N 1.08 0.67 0.00 6.16 0.00 0.05 -0.14 119.26 127.08 2gds h ALA 113 Ca 0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 2gds h ALA 113 Cb 1.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2gds h ALA 113 CO 0.09 0.72 -0.55 0.00 0.00 0.00 0.00 179.25 179.52 2gds h ALA 114 N 0.98 1.06 0.11 0.00 0.00 -0.96 -0.36 119.26 120.08 2gds h ALA 114 Ca -0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2gds h ALA 114 Cb 1.19 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.90 2gds h ALA 114 CO 0.11 0.69 -0.65 0.77 0.00 0.00 0.00 179.25 180.17 2gds h SER 115 N 0.00 0.35 0.27 0.00 0.02 -1.25 -3.23 113.55 109.71 2gds h SER 115 Ca -0.01 -0.96 -0.05 0.00 -0.84 0.00 0.00 61.79 59.94 2gds h SER 115 Cb 0.99 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2gds h SER 115 CO 0.07 1.31 -0.23 0.58 -1.14 0.00 0.00 176.83 177.42 2gds h VAL 116 N -0.52 1.09 0.00 2.27 2.07 -1.02 -3.08 116.25 117.05 2gds h VAL 116 Ca -0.12 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 2gds h VAL 116 Cb 1.49 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 2gds h VAL 116 CO 0.11 0.23 -0.41 1.23 0.02 0.00 0.00 177.57 178.75 2gds h GLY 117 N 0.77 0.00 -6.56 2.17 0.00 -1.11 -3.45 103.07 94.89 2gds h GLY 117 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 2gds h GLY 117 CO 0.03 0.00 1.23 -0.62 0.00 0.00 0.00 176.54 177.18 2gds n VAL 118 N -3.59 0.31 -3.02 4.60 0.31 -1.17 -4.88 118.33 110.89 2gds n VAL 118 Ca -0.00 -0.18 -0.44 0.00 -0.01 0.00 0.00 64.34 63.70 2gds n VAL 118 Cb 0.52 -1.63 -0.05 0.00 -0.91 0.00 0.00 33.84 31.77 2gds n VAL 118 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2gds s GLN 119 N 5.14 3.09 0.00 5.55 -0.21 -1.26 -4.83 119.66 127.15 2gds s GLN 119 Ca 1.03 -1.04 0.00 0.00 0.02 0.00 0.00 55.36 55.37 2gds s GLN 119 Cb -0.85 -4.21 0.00 0.00 1.00 0.00 0.00 33.01 28.94 2gds s GLN 119 CO 0.53 -1.57 0.00 0.41 -2.12 0.00 0.00 175.29 172.54 2gds n GLY 120 N 5.27 0.53 3.85 3.09 0.00 -1.26 -4.98 105.19 111.68 2gds n GLY 120 Ca -0.07 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 2gds n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gds s SER 121 N -4.00 6.73 0.00 1.61 0.01 -1.26 -4.83 113.70 111.96 2gds s SER 121 Ca 0.00 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.14 2gds s SER 121 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2gds s SER 121 CO 0.00 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2gds n GLY 122 N 1.60 -1.41 3.11 3.44 0.00 -1.26 -0.10 105.19 110.56 2gds n GLY 122 Ca -0.13 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2gds n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gds s TRP 123 N -2.73 0.79 -0.12 1.61 0.52 0.00 -1.80 118.94 117.21 2gds s TRP 123 Ca 0.00 -0.65 -0.00 0.00 0.02 0.00 0.00 56.10 55.47 2gds s TRP 123 Cb 0.00 -0.46 -0.02 0.00 -1.15 0.00 0.00 33.47 31.84 2gds s TRP 123 CO 0.00 -0.10 -0.11 0.20 0.02 0.00 0.00 176.95 176.97 2gds s GLY 124 N -2.12 1.59 0.01 0.98 0.00 -0.72 -0.91 107.32 106.15 2gds s GLY 124 Ca -0.02 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.86 2gds s GLY 124 CO -0.01 -0.27 -0.12 -0.98 0.00 0.00 0.00 173.10 171.72 2gds s TRP 125 N 0.13 1.07 -0.26 1.90 0.52 0.35 -1.18 118.94 121.47 2gds s TRP 125 Ca -0.05 -0.25 -0.08 0.00 0.02 0.00 0.00 56.10 55.75 2gds s TRP 125 Cb -0.14 -0.67 -0.03 0.00 -1.15 0.00 0.00 33.47 31.48 2gds s TRP 125 CO 0.04 -0.01 0.08 -1.17 0.02 0.00 0.00 176.95 175.92 2gds s LEU 126 N -0.55 3.53 0.00 2.99 2.96 -0.41 -0.68 118.68 126.53 2gds s LEU 126 Ca 0.03 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2gds s LEU 126 Cb -0.06 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 2gds s LEU 126 CO 0.00 -0.05 0.09 0.61 -1.32 0.00 0.00 176.35 175.68 2gds n GLY 127 N 4.94 3.46 3.12 7.98 0.00 -0.14 -0.98 105.19 123.57 2gds n GLY 127 Ca -0.16 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.44 2gds n GLY 127 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gds s PHE 128 N -2.73 1.99 -0.60 1.61 5.36 -0.38 -0.62 117.98 122.61 2gds s PHE 128 Ca 0.13 -0.77 -0.20 0.00 -0.96 0.00 0.00 56.93 55.13 2gds s PHE 128 Cb 0.01 -1.38 0.09 0.00 -0.34 0.00 0.00 43.02 41.40 2gds s PHE 128 CO 0.09 -0.34 0.76 1.21 -1.46 0.00 0.00 175.22 175.49 2gds s ASN 129 N 0.48 6.18 0.15 6.13 3.84 0.12 -2.21 114.94 129.64 2gds s ASN 129 Ca -0.16 -1.28 -0.15 0.00 0.21 0.00 0.00 52.86 51.47 2gds s ASN 129 Cb -0.17 -2.33 0.03 0.00 -0.55 0.00 0.00 41.25 38.23 2gds s ASN 129 CO 0.06 -1.18 1.78 0.11 -2.79 0.00 0.00 177.10 175.09 2gds h LYS 130 N 9.26 0.61 -0.62 0.43 1.57 -1.86 0.73 116.57 126.69 2gds h LYS 130 Ca -0.29 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2gds h LYS 130 Cb 1.08 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2gds h LYS 130 CO 1.11 0.45 0.41 1.49 -0.57 0.00 0.00 179.45 182.34 2gds h GLU 131 N 0.59 0.83 0.02 3.15 4.81 -1.94 -3.21 114.58 118.83 2gds h GLU 131 Ca 0.16 -0.05 -0.33 0.00 -0.13 0.00 0.00 59.36 59.01 2gds h GLU 131 Cb 0.00 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 2gds h GLU 131 CO -0.03 0.55 -1.95 0.54 -0.73 0.00 0.00 179.01 177.39 2gds n ARG 132 N -4.43 0.67 -1.55 1.92 5.12 -1.07 -5.02 116.66 112.29 2gds n ARG 132 Ca 0.06 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 2gds n ARG 132 Cb 0.05 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 2gds n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2gds n GLY 133 N 1.73 0.87 3.57 -0.13 0.00 0.25 -5.06 105.19 106.42 2gds n GLY 133 Ca -0.25 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 2gds n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gds s HIS 134 N -2.23 0.38 0.74 1.61 -3.43 -1.13 -5.00 115.29 106.24 2gds s HIS 134 Ca 0.00 -0.74 -0.11 0.00 -0.80 0.00 0.00 55.06 53.41 2gds s HIS 134 Cb 0.00 0.17 0.04 0.00 -1.43 0.00 0.00 32.58 31.35 2gds s HIS 134 CO 0.00 -0.98 1.09 -0.51 -2.00 0.00 0.00 174.74 172.34 2gds s LEU 135 N -3.02 2.82 -0.30 5.38 1.43 -1.26 0.15 118.68 123.88 2gds s LEU 135 Ca 0.23 1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 2gds s LEU 135 Cb -0.00 -4.07 0.13 0.00 0.03 0.00 0.00 46.19 42.28 2gds s LEU 135 CO 0.09 -1.64 0.69 -1.58 0.23 0.00 0.00 176.35 174.14 2gds s GLN 136 N -5.18 0.55 0.18 1.70 0.74 0.20 -4.72 119.66 113.13 2gds s GLN 136 Ca 0.59 1.36 -0.30 0.00 0.05 0.00 0.00 55.36 57.06 2gds s GLN 136 Cb -0.13 0.80 -0.08 0.00 1.10 0.00 0.00 33.01 34.70 2gds s GLN 136 CO 0.54 -0.19 0.98 0.42 -0.55 0.00 0.00 175.29 176.49 2gds s ILE 137 N 2.80 4.18 -0.01 -2.34 -1.09 -1.26 -0.97 121.20 122.51 2gds s ILE 137 Ca -0.06 1.99 -0.15 0.00 -2.23 0.00 0.00 60.65 60.20 2gds s ILE 137 Cb -0.11 -4.27 0.02 0.00 -1.58 0.00 0.00 42.46 36.53 2gds s ILE 137 CO -0.19 0.39 0.32 0.00 -1.23 0.00 0.00 174.94 174.23 2gds s ALA 138 N -0.58 -0.81 0.16 9.38 0.00 0.15 -4.97 121.76 125.09 2gds s ALA 138 Ca 0.45 0.33 0.10 0.00 0.00 0.00 0.00 51.96 52.83 2gds s ALA 138 Cb -0.26 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2gds s ALA 138 CO 0.32 -0.28 -0.16 0.00 0.00 0.00 0.00 175.76 175.65 2gds s ALA 139 N -1.42 2.75 0.01 0.00 0.00 -1.26 0.13 121.76 121.98 2gds s ALA 139 Ca -0.13 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2gds s ALA 139 Cb -0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 2gds s ALA 139 CO 0.04 0.50 -0.02 0.00 0.00 0.00 0.00 175.76 176.28 2gds s PRO 141 N -0.49 4.54 4.36 0.00 0.04 -1.26 -0.82 135.00 141.38 2gds s PRO 141 Ca -0.04 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2gds s PRO 141 Cb -0.03 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2gds s PRO 141 CO -0.00 0.36 0.00 0.09 0.04 0.00 0.00 177.00 177.48 2gds n ASN 142 N 0.78 0.00 -1.32 6.66 5.03 0.85 -1.49 115.26 125.77 2gds n ASN 142 Ca -0.00 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.43 2gds n ASN 142 Cb 0.50 0.00 0.24 0.00 -1.02 0.00 0.00 39.78 39.50 2gds n ASN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2gds n GLN 143 N 14.00 2.58 -2.04 3.52 1.13 -1.26 -4.06 117.38 131.24 2gds n GLN 143 Ca 0.00 -3.04 -0.42 0.00 -1.94 0.00 0.00 57.00 51.60 2gds n GLN 143 Cb 0.00 -1.93 -0.03 0.00 0.11 0.00 0.00 30.24 28.39 2gds n GLN 143 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gds s ASP 144 N -1.95 6.63 0.57 1.08 -0.00 -0.56 -3.71 116.67 118.73 2gds s ASP 144 Ca 0.47 2.11 -0.19 0.00 -0.00 0.00 0.00 52.55 54.94 2gds s ASP 144 Cb 0.40 -2.53 -0.05 0.00 -0.00 0.00 0.00 42.92 40.74 2gds s ASP 144 CO 0.06 -0.97 1.13 -2.16 -0.00 0.00 0.00 175.17 173.23 2gds s PRO 145 N 4.12 3.23 0.04 8.23 0.04 -1.26 -4.70 135.00 144.69 2gds s PRO 145 Ca 0.72 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 2gds s PRO 145 Cb -0.31 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.10 2gds s PRO 145 CO 0.28 -0.94 1.35 1.25 0.04 0.00 0.00 177.00 178.98 2gds h LEU 146 N 0.95 -0.75 -0.37 -3.56 6.46 -1.93 -3.14 115.31 112.98 2gds h LEU 146 Ca -0.49 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.28 2gds h LEU 146 Cb 1.26 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 41.37 2gds h LEU 146 CO 0.56 -0.53 0.16 -0.61 -0.62 0.00 0.00 178.44 177.40 2gds h GLN 147 N -0.90 0.54 0.00 1.25 4.15 -1.74 -0.64 115.11 117.76 2gds h GLN 147 Ca -0.09 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2gds h GLN 147 Cb 0.68 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2gds h GLN 147 CO 0.15 0.50 0.00 0.41 -1.93 0.00 0.00 178.83 177.96 2gds n GLY 148 N -0.82 -1.03 0.00 2.39 0.00 -1.26 -0.76 105.19 103.71 2gds n GLY 148 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2gds n GLY 148 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gds n THR 149 N -1.91 0.00 0.00 2.61 -2.24 -1.16 -4.82 114.28 106.77 2gds n THR 149 Ca 0.02 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2gds n THR 149 Cb 0.15 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 2gds n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2gds n THR 150 N -0.89 0.00 -0.97 4.28 -2.24 -0.26 -5.01 114.28 109.19 2gds n THR 150 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2gds n THR 150 Cb 0.00 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 2gds n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gds n GLY 151 N 0.32 0.81 3.84 3.38 0.00 0.06 -4.98 105.19 108.62 2gds n GLY 151 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2gds n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gds s LEU 152 N 0.00 4.23 -0.21 0.99 1.43 -1.26 -4.77 118.68 119.10 2gds s LEU 152 Ca 0.00 1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 54.14 2gds s LEU 152 Cb 0.00 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 2gds s LEU 152 CO 0.00 -0.04 0.61 -0.63 0.23 0.00 0.00 176.35 176.52 2gds s ILE 153 N -1.69 5.02 0.16 -0.59 -1.09 -0.94 -1.97 121.20 120.11 2gds s ILE 153 Ca 0.46 1.14 -0.31 0.00 -2.23 0.00 0.00 60.65 59.72 2gds s ILE 153 Cb -0.14 -3.93 -0.09 0.00 -1.58 0.00 0.00 42.46 36.73 2gds s ILE 153 CO 0.19 0.10 1.42 -2.84 -1.23 0.00 0.00 174.94 172.59 2gds s PRO 154 N 1.99 4.30 -0.01 2.79 0.02 -1.26 -1.25 135.00 141.57 2gds s PRO 154 Ca 0.28 2.17 -0.00 0.00 0.02 0.00 0.00 61.00 63.46 2gds s PRO 154 Cb -0.16 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.16 2gds s PRO 154 CO 0.10 -0.44 -0.01 1.28 -0.33 0.00 0.00 177.00 177.60 2gds n LEU 155 N 3.47 1.52 -3.50 -5.54 4.32 -0.15 -4.89 117.00 112.23 2gds n LEU 155 Ca 0.10 0.01 -0.18 0.00 -0.02 0.00 0.00 56.01 55.92 2gds n LEU 155 Cb 0.41 -0.04 -0.13 0.00 -1.62 0.00 0.00 43.42 42.04 2gds n LEU 155 CO 0.59 0.27 -0.19 -0.22 -1.22 0.00 0.00 177.39 176.62 2gds s LEU 156 N -5.59 -0.14 -0.10 2.23 2.96 -1.01 -4.48 118.68 112.56 2gds s LEU 156 Ca -0.02 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2gds s LEU 156 Cb 0.01 0.43 -0.03 0.00 0.50 0.00 0.00 46.19 47.10 2gds s LEU 156 CO 0.03 -0.32 -0.07 -0.83 -1.32 0.00 0.00 176.35 173.84 2gds s GLY 157 N 2.34 1.68 -0.23 7.98 0.00 -1.26 -1.29 107.32 116.54 2gds s GLY 157 Ca 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.94 2gds s GLY 157 CO -0.12 -0.47 -0.12 -1.50 0.00 0.00 0.00 173.10 170.89 2gds s ILE 158 N -0.40 2.03 -0.18 0.90 1.10 -0.33 -4.79 121.20 119.53 2gds s ILE 158 Ca 0.06 -1.39 -0.29 0.00 -0.51 0.00 0.00 60.65 58.52 2gds s ILE 158 Cb -0.12 -2.09 -0.02 0.00 0.15 0.00 0.00 42.46 40.38 2gds s ILE 158 CO 0.02 0.10 1.35 -0.62 -2.11 0.00 0.00 174.94 173.68 2gds s ASP 159 N 1.20 6.81 -0.26 4.50 3.68 -1.26 -1.75 116.67 129.59 2gds s ASP 159 Ca -0.05 1.67 0.11 0.00 2.13 0.00 0.00 52.55 56.41 2gds s ASP 159 Cb -0.18 -2.54 0.50 0.00 -1.45 0.00 0.00 42.92 39.25 2gds s ASP 159 CO -0.07 -0.88 1.44 1.33 0.13 0.00 0.00 175.17 177.12 2gds n VAL 160 N 5.62 2.46 -2.56 1.11 0.24 -0.75 -4.83 118.33 119.62 2gds n VAL 160 Ca 0.15 -2.51 -0.36 0.00 -2.04 0.00 0.00 64.34 59.58 2gds n VAL 160 Cb 0.45 -0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 32.48 2gds n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2gds s TRP 161 N -3.13 3.22 0.48 6.34 0.52 -1.22 -4.48 118.94 120.68 2gds s TRP 161 Ca 0.43 1.63 0.20 0.00 0.02 0.00 0.00 56.10 58.38 2gds s TRP 161 Cb 0.38 -3.09 1.22 0.00 -1.15 0.00 0.00 33.47 30.83 2gds s TRP 161 CO 0.02 -0.63 1.99 0.93 0.02 0.00 0.00 176.95 179.28 2gds h GLU 162 N 2.27 0.18 0.00 4.98 5.08 -1.94 0.58 114.58 125.73 2gds h GLU 162 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2gds h GLU 162 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2gds h GLU 162 CO 0.62 0.12 0.00 -2.39 -1.00 0.00 0.00 179.01 176.36 2gds n HIS 163 N -4.43 0.46 1.22 4.33 1.44 -1.26 -0.75 115.22 116.23 2gds n HIS 163 Ca 0.09 0.20 0.13 0.00 -2.01 0.00 0.00 57.72 56.13 2gds n HIS 163 Cb 0.48 -0.82 0.30 0.00 0.12 0.00 0.00 29.99 30.07 2gds n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2gds n ALA 164 N -1.66 3.01 -1.08 1.59 0.00 0.19 -4.63 120.51 117.93 2gds n ALA 164 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2gds n ALA 164 Cb 0.14 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2gds n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2gds n TYR 165 N -0.12 0.00 -0.16 0.00 4.11 -0.86 -5.01 117.16 115.12 2gds n TYR 165 Ca 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.95 2gds n TYR 165 Cb 0.40 0.01 0.01 0.00 -0.00 0.00 0.00 39.34 39.76 2gds n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 2gds h TYR 166 N 0.00 0.70 0.00 -3.48 3.20 -1.15 0.16 116.97 116.39 2gds h TYR 166 Ca 0.00 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2gds h TYR 166 Cb 0.12 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 2gds h TYR 166 CO 0.00 0.58 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.02 2gds h LEU 167 N 0.62 0.00 0.00 2.82 3.38 -1.91 -0.24 115.31 119.98 2gds h LEU 167 Ca 0.16 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 2gds h LEU 167 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2gds h LEU 167 CO -0.02 0.01 -1.70 1.67 0.09 0.00 0.00 178.44 178.49 2gds n GLN 168 N -3.62 0.32 0.00 1.13 7.27 -1.16 -4.76 117.38 116.56 2gds n GLN 168 Ca -0.03 0.14 0.11 0.00 0.07 0.00 0.00 57.00 57.30 2gds n GLN 168 Cb 0.09 -1.04 0.07 0.00 2.41 0.00 0.00 30.24 31.77 2gds n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2gds n TYR 169 N -3.73 0.00 -3.48 3.69 4.02 0.55 -5.06 117.16 113.14 2gds n TYR 169 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 2gds n TYR 169 Cb 0.66 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 2gds n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2gds n LYS 170 N -0.32 0.00 0.00 -0.72 4.01 -0.10 -1.94 118.16 119.09 2gds n LYS 170 Ca 0.09 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.95 2gds n LYS 170 Cb 0.43 0.00 0.30 0.00 -0.51 0.00 0.00 35.03 35.25 2gds n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2gds n ASN 171 N -1.34 0.00 -4.18 4.39 6.94 -1.26 -4.35 115.26 115.45 2gds n ASN 171 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.13 2gds n ASN 171 Cb 0.00 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 2gds n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2gds n VAL 172 N -1.22 4.21 -0.34 3.53 0.31 -0.82 -4.80 118.33 119.21 2gds n VAL 172 Ca 0.06 -4.42 0.03 0.00 -0.01 0.00 0.00 64.34 60.00 2gds n VAL 172 Cb 0.08 -2.42 0.20 0.00 -0.91 0.00 0.00 33.84 30.79 2gds n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2gds h ARG 173 N 6.52 1.10 -0.65 5.55 2.43 -1.83 -2.57 114.38 124.92 2gds h ARG 173 Ca 0.38 -0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.58 2gds h ARG 173 Cb 0.76 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 2gds h ARG 173 CO 1.46 0.73 0.43 -1.35 -1.51 0.00 0.00 179.97 179.73 2gds h PRO 174 N 1.13 0.47 -0.20 0.20 0.11 -1.97 -1.23 132.00 130.51 2gds h PRO 174 Ca 0.40 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.36 2gds h PRO 174 Cb 0.14 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2gds h PRO 174 CO -0.15 0.31 -0.42 -0.44 -0.21 0.00 0.00 178.00 177.09 2gds h ASP 175 N 0.48 0.49 -0.20 -2.05 3.45 -1.85 -2.24 116.42 114.51 2gds h ASP 175 Ca 0.30 -0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 2gds h ASP 175 Cb 0.54 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 2gds h ASP 175 CO -0.09 0.86 0.06 0.22 -1.57 0.00 0.00 179.24 178.72 2gds h TYR 176 N 0.38 0.32 -0.44 4.55 -0.00 -1.24 -1.96 116.97 118.58 2gds h TYR 176 Ca 0.03 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2gds h TYR 176 Cb 0.90 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.52 2gds h TYR 176 CO 0.03 0.40 0.18 -0.07 -0.00 0.00 0.00 178.16 178.70 2gds h LEU 177 N 0.15 0.56 -0.60 2.82 -0.00 -1.32 -1.97 115.31 114.95 2gds h LEU 177 Ca 0.06 -0.06 -0.15 0.00 -0.00 0.00 0.00 57.88 57.74 2gds h LEU 177 Cb 0.22 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 2gds h LEU 177 CO -0.00 0.50 -0.69 0.50 -0.00 0.00 0.00 178.44 178.75 2gds h LYS 178 N 0.62 0.04 0.00 1.13 3.64 -1.20 -3.21 116.57 117.58 2gds h LYS 178 Ca 0.15 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.30 2gds h LYS 178 Cb 0.12 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2gds h LYS 178 CO -0.02 0.72 -0.93 0.00 -2.27 0.00 0.00 179.45 176.95 2gds h ALA 179 N 1.27 0.43 0.00 5.00 0.00 -0.84 -3.34 119.26 121.79 2gds h ALA 179 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 54.00 2gds h ALA 179 Cb 1.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2gds h ALA 179 CO 0.09 1.17 -0.23 0.97 0.00 0.00 0.00 179.25 181.25 2gds h ILE 180 N 0.00 0.62 0.00 0.00 2.10 -1.38 -3.02 117.51 115.83 2gds h ILE 180 Ca -0.01 -1.05 -0.00 0.00 1.08 0.00 0.00 64.86 64.88 2gds h ILE 180 Cb 1.68 1.69 -0.00 0.00 -1.09 0.00 0.00 36.82 39.10 2gds h ILE 180 CO 0.12 0.22 -0.02 -0.50 -1.08 0.00 0.00 178.15 176.90 2gds h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.68 -1.94 115.95 118.57 2gds h TRP 181 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 2gds h TRP 181 Cb 0.67 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.83 2gds h TRP 181 CO 0.00 0.02 -0.15 -0.91 -3.56 0.00 0.00 178.44 173.84 2gds h ASN 182 N 0.00 0.00 -0.08 -3.49 2.35 -1.78 -3.24 115.58 109.34 2gds h ASN 182 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2gds h ASN 182 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2gds h ASN 182 CO 0.00 0.15 -0.29 1.33 -1.65 0.00 0.00 177.43 176.97 2gds n VAL 183 N -3.24 2.21 -2.73 2.81 0.24 -0.74 -3.13 118.33 113.76 2gds n VAL 183 Ca 0.01 -2.87 -0.43 0.00 -2.04 0.00 0.00 64.34 59.01 2gds n VAL 183 Cb 0.44 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.52 2gds n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2gds s ILE 184 N -3.14 4.75 -1.05 1.34 -1.09 -1.20 -1.12 121.20 119.68 2gds s ILE 184 Ca 0.38 1.90 -0.21 0.00 -2.23 0.00 0.00 60.65 60.49 2gds s ILE 184 Cb 0.36 -4.26 0.07 0.00 -1.58 0.00 0.00 42.46 37.05 2gds s ILE 184 CO -0.03 -0.11 1.44 0.21 -1.23 0.00 0.00 174.94 175.22 2gds s ASN 185 N 1.20 6.58 0.55 3.58 3.84 0.22 -0.24 114.94 130.67 2gds s ASN 185 Ca 0.42 -1.72 0.33 0.00 0.21 0.00 0.00 52.86 52.11 2gds s ASN 185 Cb -0.16 -2.54 1.49 0.00 -0.55 0.00 0.00 41.25 39.49 2gds s ASN 185 CO 0.09 -1.37 2.04 -0.50 -2.79 0.00 0.00 177.10 174.56 2gds h TRP 186 N 9.28 0.00 -0.21 0.43 -0.00 -1.89 -2.41 115.95 121.15 2gds h TRP 186 Ca 0.23 0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 58.96 2gds h TRP 186 Cb 0.99 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.14 2gds h TRP 186 CO 1.28 0.05 -0.51 1.49 -0.00 0.00 0.00 178.44 180.75 2gds h GLU 187 N 0.00 0.59 -0.12 0.49 4.81 -1.96 -1.27 114.58 117.11 2gds h GLU 187 Ca -0.00 -0.35 -0.07 0.00 -0.13 0.00 0.00 59.36 58.81 2gds h GLU 187 Cb 0.44 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2gds h GLU 187 CO 0.01 0.96 -0.18 -0.97 -0.73 0.00 0.00 179.01 178.09 2gds h ASN 188 N 0.46 0.37 -0.85 1.04 -0.73 -1.75 -2.57 115.58 111.55 2gds h ASN 188 Ca 0.02 -0.53 -0.02 0.00 1.87 0.00 0.00 56.30 57.65 2gds h ASN 188 Cb 1.05 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 39.49 2gds h ASN 188 CO 0.10 0.82 0.47 0.58 -0.37 0.00 0.00 177.43 179.04 2gds h VAL 189 N -0.07 1.25 0.00 2.57 2.07 -1.43 -1.00 116.25 119.64 2gds h VAL 189 Ca 0.01 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2gds h VAL 189 Cb 0.74 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2gds h VAL 189 CO 0.04 0.28 -0.08 0.71 0.02 0.00 0.00 177.57 178.54 2gds h THR 190 N 1.20 0.21 0.17 2.57 1.35 -1.24 -0.91 112.91 116.26 2gds h THR 190 Ca 0.30 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 2gds h THR 190 Cb 0.02 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2gds h THR 190 CO -0.05 0.08 -0.08 -0.33 -0.25 0.00 0.00 175.52 174.89 2gds h GLU 191 N 0.00 -0.22 -0.60 4.72 5.08 -0.79 -2.03 114.58 120.75 2gds h GLU 191 Ca -0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2gds h GLU 191 Cb 0.59 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2gds h GLU 191 CO 0.01 0.20 0.27 0.00 -1.00 0.00 0.00 179.01 178.49 2gds h ARG 192 N -0.79 0.85 -0.07 2.33 3.08 -1.15 -0.78 114.38 117.85 2gds h ARG 192 Ca -0.02 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2gds h ARG 192 Cb 0.52 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2gds h ARG 192 CO 0.04 0.67 0.00 -0.92 -1.07 0.00 0.00 179.97 178.69 2gds h TYR 193 N 0.85 0.13 -0.00 3.04 3.20 -1.23 -2.94 116.97 120.01 2gds h TYR 193 Ca 0.21 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2gds h TYR 193 Cb 0.12 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 2gds h TYR 193 CO 0.01 0.38 -0.13 0.52 -1.64 0.00 0.00 178.16 177.30 2gds h MET 194 N -0.17 0.00 0.00 1.82 2.86 -1.14 -1.87 114.93 116.44 2gds h MET 194 Ca 0.02 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2gds h MET 194 Cb 0.33 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2gds h MET 194 CO 0.00 0.14 0.00 0.00 1.06 0.00 0.00 176.91 178.11 2gds n ALA 195 N -2.51 1.78 0.01 6.32 0.00 -0.32 -3.27 120.51 122.51 2gds n ALA 195 Ca -0.03 0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 2gds n ALA 195 Cb 0.20 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 2gds n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gds n LYS 197 N -4.09 0.12 0.00 0.00 4.76 -1.20 -5.07 118.16 112.69 2gds n LYS 197 Ca -0.21 0.61 0.10 0.00 -2.87 0.00 0.00 58.31 55.94 2gds n LYS 197 Cb 0.82 -1.89 0.61 0.00 -1.84 0.00 0.00 35.03 32.73 2gds n LYS 197 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20