#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 3.52 0.10 2.13 3.76 -1.26 -5.09 115.29 118.46 2gds s HIS 2 Ca 0.00 1.16 0.10 0.00 -0.15 0.00 0.00 55.06 56.17 2gds s HIS 2 Cb 0.00 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 2gds s HIS 2 CO 0.00 0.28 -0.25 -1.12 -0.85 0.00 0.00 174.74 172.80 2gds s SER 3 N -1.97 3.07 -0.30 1.40 0.01 -1.26 -4.88 113.70 109.78 2gds s SER 3 Ca 0.45 -0.69 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 2gds s SER 3 Cb -0.13 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.86 2gds s SER 3 CO 0.20 0.17 1.63 -0.22 0.41 0.00 0.00 173.24 175.43 2gds s LEU 4 N -1.80 3.68 0.56 2.44 2.96 -1.26 -4.97 118.68 120.30 2gds s LEU 4 Ca 0.12 1.32 -0.21 0.00 -0.22 0.00 0.00 54.13 55.14 2gds s LEU 4 Cb -0.10 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2gds s LEU 4 CO 0.05 -1.46 1.32 -2.16 -1.32 0.00 0.00 176.35 172.77 2gds s PRO 5 N 5.09 3.07 0.50 0.98 0.04 -1.26 -4.96 135.00 138.45 2gds s PRO 5 Ca 0.72 2.13 -0.19 0.00 0.04 0.00 0.00 61.00 63.70 2gds s PRO 5 Cb -0.21 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 2gds s PRO 5 CO 0.31 -1.22 1.03 -0.51 0.04 0.00 0.00 177.00 176.65 2gds s ASP 6 N -1.12 6.35 0.24 6.66 1.11 -1.26 -5.00 116.67 123.65 2gds s ASP 6 Ca 0.73 1.85 -0.30 0.00 0.18 0.00 0.00 52.55 55.02 2gds s ASP 6 Cb -0.38 -2.55 -0.09 0.00 1.07 0.00 0.00 42.92 40.97 2gds s ASP 6 CO 0.44 -0.77 1.15 -0.22 1.18 0.00 0.00 175.17 176.94 2gds s LEU 7 N -3.66 4.50 -0.01 1.23 2.96 -1.26 -4.92 118.68 117.53 2gds s LEU 7 Ca 0.65 2.28 0.02 0.00 -0.22 0.00 0.00 54.13 56.86 2gds s LEU 7 Cb -0.15 -3.62 0.08 0.00 0.50 0.00 0.00 46.19 43.00 2gds s LEU 7 CO 0.23 -0.26 0.95 -0.81 -1.32 0.00 0.00 176.35 175.14 2gds n PRO 8 N 1.70 1.25 -3.81 0.98 -0.04 -1.26 -4.85 135.00 128.96 2gds n PRO 8 Ca 0.01 -0.31 -0.08 0.00 -0.04 0.00 0.00 63.50 63.09 2gds n PRO 8 Cb 0.45 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.72 -0.22 0.38 0.54 1.13 -1.26 -5.04 117.35 111.17 2gds s TYR 9 Ca 0.06 -0.21 -0.26 0.00 -1.41 0.00 0.00 57.07 55.25 2gds s TYR 9 Cb 0.03 0.68 -0.09 0.00 -1.10 0.00 0.00 41.96 41.49 2gds s TYR 9 CO 0.03 -1.19 1.17 0.34 -2.51 0.00 0.00 175.55 173.39 2gds s ASP 10 N -2.90 6.62 0.60 -0.18 2.15 -1.26 -4.91 116.67 116.79 2gds s ASP 10 Ca 0.10 2.35 0.27 0.00 0.43 0.00 0.00 52.55 55.71 2gds s ASP 10 Cb -0.05 -2.62 1.25 0.00 -0.30 0.00 0.00 42.92 41.20 2gds s ASP 10 CO 0.05 -0.61 1.66 1.88 -0.17 0.00 0.00 175.17 177.98 2gds h TYR 11 N 2.79 0.00 -0.20 -5.34 0.05 -1.93 0.24 116.97 112.58 2gds h TYR 11 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2gds h TYR 11 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 2gds h TYR 11 CO 0.56 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.08 2gds n GLY 12 N -1.56 1.13 0.00 3.88 0.00 -1.26 -4.05 105.19 103.32 2gds n GLY 12 Ca 0.13 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.68 2gds n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gds n ALA 13 N 0.91 1.19 -0.27 4.61 0.00 0.85 -2.34 120.51 125.45 2gds n ALA 13 Ca 0.12 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2gds n ALA 13 Cb 0.44 -1.04 0.19 0.00 0.00 0.00 0.00 19.45 19.03 2gds n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gds n LEU 14 N -1.43 3.16 -4.77 0.00 4.77 -1.26 -4.26 117.00 113.21 2gds n LEU 14 Ca 0.01 -2.08 -0.36 0.00 -0.03 0.00 0.00 56.01 53.55 2gds n LEU 14 Cb 0.03 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 2gds n LEU 14 CO 0.02 0.76 0.80 -1.61 -1.33 0.00 0.00 177.39 176.03 2gds s GLU 15 N -1.15 3.64 -0.22 3.23 0.41 -0.99 -1.45 118.70 122.18 2gds s GLU 15 Ca 0.28 1.66 0.06 0.00 -0.41 0.00 0.00 54.97 56.57 2gds s GLU 15 Cb 0.16 -2.24 0.50 0.00 -1.78 0.00 0.00 34.13 30.77 2gds s GLU 15 CO 0.18 -0.62 1.46 -0.35 -0.49 0.00 0.00 175.26 175.43 2gds n PRO 16 N -0.79 2.83 0.07 0.39 -0.04 -1.26 -4.90 135.00 131.30 2gds n PRO 16 Ca 0.09 -2.06 -0.21 0.00 -0.04 0.00 0.00 63.50 61.28 2gds n PRO 16 Cb 0.50 -1.91 -0.15 0.00 -0.04 0.00 0.00 33.50 31.89 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 1.79 0.67 -2.63 0.54 3.86 -1.61 -3.42 115.15 114.35 2gds h HIS 17 Ca 0.19 -0.48 -0.49 0.00 -1.16 0.00 0.00 60.37 58.43 2gds h HIS 17 Cb 1.83 -0.03 -0.38 0.00 1.06 0.00 0.00 27.41 29.88 2gds h HIS 17 CO 0.88 1.36 -0.75 0.42 0.86 0.00 0.00 177.93 180.70 2gds s ILE 18 N -2.54 -0.13 0.64 2.45 1.01 -0.89 -4.75 121.20 116.99 2gds s ILE 18 Ca -0.12 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 2gds s ILE 18 Cb 0.02 -0.99 -0.08 0.00 0.01 0.00 0.00 42.46 41.43 2gds s ILE 18 CO 0.86 -0.69 0.41 -0.46 0.00 0.00 0.00 174.94 175.06 2gds n ASN 19 N 5.15 -1.55 -0.00 3.58 0.23 -1.26 -4.15 115.26 117.26 2gds n ASN 19 Ca -0.04 0.65 0.13 0.00 -0.53 0.00 0.00 54.58 54.80 2gds n ASN 19 Cb 0.43 -1.14 0.57 0.00 -2.08 0.00 0.00 39.78 37.56 2gds n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gds h ALA 20 N -0.07 2.14 -0.05 -2.53 0.00 -1.88 -2.52 119.26 114.36 2gds h ALA 20 Ca -0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2gds h ALA 20 Cb 1.38 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2gds h ALA 20 CO 0.44 -0.25 0.02 0.37 0.00 0.00 0.00 179.25 179.83 2gds h GLN 21 N 0.23 0.07 -0.06 0.00 4.15 -1.89 -1.27 115.11 116.33 2gds h GLN 21 Ca 0.22 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.65 2gds h GLN 21 Cb 0.57 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 2gds h GLN 21 CO -0.04 0.15 -0.04 0.82 -1.93 0.00 0.00 178.83 177.79 2gds h ILE 22 N -0.03 0.88 -0.17 2.39 2.04 -1.80 -2.21 117.51 118.60 2gds h ILE 22 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2gds h ILE 22 Cb 0.10 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2gds h ILE 22 CO -0.00 0.00 0.06 0.24 0.00 0.00 0.00 178.15 178.45 2gds h MET 23 N -0.04 0.24 0.17 2.37 2.86 -1.39 0.13 114.93 119.27 2gds h MET 23 Ca 0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2gds h MET 23 Cb 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2gds h MET 23 CO -0.09 0.21 -0.08 1.96 1.06 0.00 0.00 176.91 179.97 2gds h GLN 24 N 0.24 -0.22 -0.18 1.72 4.20 -0.78 -2.94 115.11 117.14 2gds h GLN 24 Ca 0.06 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2gds h GLN 24 Cb 0.07 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2gds h GLN 24 CO -0.01 0.19 0.01 -0.07 -0.67 0.00 0.00 178.83 178.28 2gds h LEU 25 N -0.72 0.31 -0.90 1.46 3.38 -1.27 -0.48 115.31 117.10 2gds h LEU 25 Ca -0.02 -0.30 0.13 0.00 0.09 0.00 0.00 57.88 57.78 2gds h LEU 25 Cb 0.51 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 2gds h LEU 25 CO 0.04 0.54 0.51 -0.74 0.09 0.00 0.00 178.44 178.88 2gds h HIS 26 N 0.08 0.92 0.00 1.13 2.76 -0.86 0.14 115.15 119.33 2gds h HIS 26 Ca 0.05 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2gds h HIS 26 Cb 0.37 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 2gds h HIS 26 CO 0.03 0.30 -0.27 1.25 -1.30 0.00 0.00 177.93 177.95 2gds h HIS 27 N 0.78 0.00 0.00 5.26 -0.00 -1.52 -1.12 115.15 118.55 2gds h HIS 27 Ca 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.81 2gds h HIS 27 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.96 2gds h HIS 27 CO -0.05 0.30 -0.11 0.66 -0.00 0.00 0.00 177.93 178.73 2gds h SER 28 N -1.00 0.00 0.00 3.26 4.64 -1.09 -2.92 113.55 116.45 2gds h SER 28 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2gds h SER 28 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2gds h SER 28 CO -0.02 0.11 -0.19 0.29 -0.87 0.00 0.00 176.83 176.15 2gds n LYS 29 N -3.29 0.10 0.47 4.77 4.01 0.47 -4.41 118.16 120.27 2gds n LYS 29 Ca -0.00 0.04 -0.20 0.00 -0.51 0.00 0.00 58.31 57.64 2gds n LYS 29 Cb 0.34 -0.52 -0.10 0.00 -0.51 0.00 0.00 35.03 34.24 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 -0.19 -1.17 -0.41 4.39 2.35 -1.49 -0.07 115.58 119.00 2gds h ASN 30 Ca 0.00 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2gds h ASN 30 Cb 0.19 0.32 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 2gds h ASN 30 CO 0.00 -0.76 0.19 -0.74 -1.65 0.00 0.00 177.43 174.47 2gds h HIS 31 N -1.24 0.63 -0.60 1.19 2.76 -1.26 -2.49 115.15 114.14 2gds h HIS 31 Ca -0.12 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 57.93 2gds h HIS 31 Cb 0.97 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 2gds h HIS 31 CO -0.06 0.49 -0.01 0.00 -1.30 0.00 0.00 177.93 177.05 2gds h ALA 32 N 1.58 0.85 -0.58 5.26 0.00 -1.33 -2.71 119.26 122.32 2gds h ALA 32 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2gds h ALA 32 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2gds h ALA 32 CO -0.02 0.67 0.33 0.00 0.00 0.00 0.00 179.25 180.23 2gds h ALA 33 N 1.01 0.74 0.32 0.00 0.00 -0.54 -2.42 119.26 118.37 2gds h ALA 33 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2gds h ALA 33 Cb 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2gds h ALA 33 CO 0.03 0.24 -0.16 1.88 0.00 0.00 0.00 179.25 181.25 2gds h TYR 34 N 0.78 -0.40 -0.71 0.00 0.05 -1.41 -0.20 116.97 115.07 2gds h TYR 34 Ca 0.20 -0.01 0.15 0.00 0.05 0.00 0.00 58.73 59.13 2gds h TYR 34 Cb 0.02 0.13 -0.10 0.00 1.01 0.00 0.00 36.73 37.79 2gds h TYR 34 CO -0.02 -0.23 0.18 0.28 -1.05 0.00 0.00 178.16 177.32 2gds h VAL 35 N -0.47 0.55 -0.41 -2.88 2.07 -1.38 0.20 116.25 113.92 2gds h VAL 35 Ca -0.04 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 2gds h VAL 35 Cb 0.36 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2gds h VAL 35 CO 0.07 0.05 -0.24 0.78 0.02 0.00 0.00 177.57 178.25 2gds h ASN 36 N 0.28 0.87 0.48 0.57 -0.26 -1.18 -2.29 115.58 114.05 2gds h ASN 36 Ca 0.40 -0.33 -0.16 0.00 -0.56 0.00 0.00 56.30 55.65 2gds h ASN 36 Cb 0.66 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 2gds h ASN 36 CO -0.48 1.07 -0.68 0.78 -1.06 0.00 0.00 177.43 177.06 2gds h ASN 37 N 0.73 0.21 -0.48 5.81 2.35 0.13 -2.84 115.58 121.50 2gds h ASN 37 Ca 0.10 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 2gds h ASN 37 Cb 0.78 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2gds h ASN 37 CO 0.06 0.83 0.03 0.25 -1.65 0.00 0.00 177.43 176.95 2gds h LEU 38 N 0.12 0.81 -1.07 1.61 5.85 -0.48 0.46 115.31 122.61 2gds h LEU 38 Ca -0.01 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 2gds h LEU 38 Cb 1.21 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2gds h LEU 38 CO 0.10 0.90 -0.11 0.78 -0.34 0.00 0.00 178.44 179.77 2gds h ASN 39 N 0.69 0.51 0.04 1.25 2.35 -1.39 0.04 115.58 119.07 2gds h ASN 39 Ca 0.14 -0.13 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 2gds h ASN 39 Cb 0.47 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.71 2gds h ASN 39 CO 0.02 0.66 -0.79 0.58 -1.65 0.00 0.00 177.43 176.25 2gds h VAL 40 N 0.49 1.32 -0.21 2.81 2.07 -1.33 -2.80 116.25 118.60 2gds h VAL 40 Ca 0.09 -2.08 -0.08 0.00 0.82 0.00 0.00 66.70 65.45 2gds h VAL 40 Cb 0.49 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2gds h VAL 40 CO 0.03 0.64 -0.20 0.74 0.02 0.00 0.00 177.57 178.81 2gds h THR 41 N 0.42 1.32 -0.68 2.57 2.02 -0.48 -2.03 112.91 116.05 2gds h THR 41 Ca -0.05 -1.35 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 2gds h THR 41 Cb 1.40 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.52 2gds h THR 41 CO 0.15 0.41 0.24 -0.33 0.37 0.00 0.00 175.52 176.37 2gds h GLU 42 N 0.19 1.04 -0.42 6.66 5.08 -1.09 -0.41 114.58 125.62 2gds h GLU 42 Ca 0.04 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2gds h GLU 42 Cb 0.74 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2gds h GLU 42 CO 0.05 0.88 0.24 1.49 -1.00 0.00 0.00 179.01 180.67 2gds h GLU 43 N 0.98 0.46 0.00 2.33 4.81 -1.48 0.66 114.58 122.34 2gds h GLU 43 Ca 0.22 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2gds h GLU 43 Cb 0.25 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2gds h GLU 43 CO -0.01 0.30 -0.20 0.87 -0.73 0.00 0.00 179.01 179.24 2gds h LYS 44 N 0.47 0.00 0.05 1.92 1.57 -1.02 -3.03 116.57 116.53 2gds h LYS 44 Ca 0.17 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 2gds h LYS 44 Cb 0.04 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.37 2gds h LYS 44 CO -0.10 0.20 -0.68 -0.92 -0.57 0.00 0.00 179.45 177.39 2gds h TYR 45 N 0.00 0.58 -0.13 -1.35 5.03 0.19 -2.78 116.97 118.51 2gds h TYR 45 Ca -0.00 -0.35 0.04 0.00 2.58 0.00 0.00 58.73 60.99 2gds h TYR 45 Cb 0.53 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 2gds h TYR 45 CO 0.00 1.20 0.10 0.37 -1.32 0.00 0.00 178.16 178.52 2gds h GLN 46 N -0.20 0.00 -0.11 1.82 5.75 -0.83 0.24 115.11 121.77 2gds h GLN 46 Ca -0.10 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.25 2gds h GLN 46 Cb 1.43 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.99 2gds h GLN 46 CO 0.13 0.00 -0.53 0.93 -2.65 0.00 0.00 178.83 176.71 2gds h GLU 47 N 0.00 0.56 -0.01 1.69 5.08 -1.50 -2.18 114.58 118.21 2gds h GLU 47 Ca 0.06 -0.45 -0.20 0.00 -1.00 0.00 0.00 59.36 57.77 2gds h GLU 47 Cb 0.27 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2gds h GLU 47 CO -0.00 1.08 -0.86 0.00 -1.00 0.00 0.00 179.01 178.23 2gds h ALA 48 N 0.49 0.51 -0.51 3.43 0.00 -1.06 -2.75 119.26 119.36 2gds h ALA 48 Ca -0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 2gds h ALA 48 Cb 1.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2gds h ALA 48 CO 0.11 0.86 0.19 1.25 0.00 0.00 0.00 179.25 181.65 2gds h LEU 49 N 0.17 0.71 -0.77 0.00 5.85 -0.61 0.94 115.31 121.61 2gds h LEU 49 Ca -0.05 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 2gds h LEU 49 Cb 1.48 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 2gds h LEU 49 CO 0.14 0.70 0.37 0.00 -0.34 0.00 0.00 178.44 179.31 2gds h ALA 50 N 1.04 0.99 -0.00 1.25 0.00 -1.37 -2.25 119.26 118.92 2gds h ALA 50 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gds h ALA 50 Cb 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2gds h ALA 50 CO -0.01 0.56 -0.06 1.63 0.00 0.00 0.00 179.25 181.37 2gds n LYS 51 N -4.38 0.62 -2.19 0.00 5.02 -1.04 -4.89 118.16 111.29 2gds n LYS 51 Ca 0.07 -0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.09 2gds n LYS 51 Cb 0.14 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 2gds n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gds n GLY 52 N 1.26 -0.06 3.50 0.72 0.00 -0.65 -4.92 105.19 105.05 2gds n GLY 52 Ca 0.15 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.39 6.63 0.42 1.61 3.68 0.23 -4.85 116.67 122.00 2gds s ASP 53 Ca 0.00 -1.92 0.14 0.00 2.13 0.00 0.00 52.55 52.89 2gds s ASP 53 Cb 0.00 -2.47 0.89 0.00 -1.45 0.00 0.00 42.92 39.89 2gds s ASP 53 CO 0.00 -1.21 1.93 0.58 0.13 0.00 0.00 175.17 176.60 2gds h VAL 54 N 6.08 1.18 0.07 1.11 2.07 -1.91 -2.74 116.25 122.11 2gds h VAL 54 Ca 0.20 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2gds h VAL 54 Cb 1.00 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2gds h VAL 54 CO 1.25 0.25 -0.03 0.74 0.02 0.00 0.00 177.57 179.80 2gds h THR 55 N 0.01 1.14 -0.49 2.57 2.02 -1.96 -2.02 112.91 114.18 2gds h THR 55 Ca -0.00 -0.75 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 2gds h THR 55 Cb 0.45 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2gds h THR 55 CO 0.03 0.19 0.13 0.00 0.37 0.00 0.00 175.52 176.24 2gds h ALA 56 N 0.47 1.32 -0.35 6.16 0.00 -1.94 -0.19 119.26 124.72 2gds h ALA 56 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2gds h ALA 56 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2gds h ALA 56 CO 0.02 0.49 0.20 1.96 0.00 0.00 0.00 179.25 181.91 2gds h GLN 57 N 0.71 0.49 -0.33 0.00 4.20 -1.44 -0.11 115.11 118.63 2gds h GLN 57 Ca 0.16 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 2gds h GLN 57 Cb 0.24 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2gds h GLN 57 CO -0.01 0.40 -0.32 0.82 -0.67 0.00 0.00 178.83 179.06 2gds h ILE 58 N 0.45 1.28 -0.01 2.54 2.04 -1.06 -2.96 117.51 119.80 2gds h ILE 58 Ca 0.12 -1.46 -0.06 0.00 1.00 0.00 0.00 64.86 64.47 2gds h ILE 58 Cb 0.05 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2gds h ILE 58 CO -0.02 0.48 -0.28 0.00 0.00 0.00 0.00 178.15 178.32 2gds h ALA 59 N 1.04 1.52 -0.00 1.87 0.00 -0.67 -2.03 119.26 120.99 2gds h ALA 59 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2gds h ALA 59 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2gds h ALA 59 CO 0.07 0.36 -0.15 1.28 0.00 0.00 0.00 179.25 180.81 2gds n LEU 60 N -4.20 0.53 -0.10 0.00 4.77 -0.08 -4.28 117.00 113.63 2gds n LEU 60 Ca -0.02 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.89 2gds n LEU 60 Cb 0.33 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2gds n LEU 60 CO 0.38 0.10 0.96 1.56 -1.33 0.00 0.00 177.39 179.06 2gds h GLN 61 N 0.60 0.31 -0.51 3.23 4.20 -1.20 -1.50 115.11 120.24 2gds h GLN 61 Ca 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2gds h GLN 61 Cb 0.40 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2gds h GLN 61 CO 0.00 0.21 0.24 -1.35 -0.67 0.00 0.00 178.83 177.26 2gds h PRO 62 N 0.32 0.73 -0.92 1.46 0.11 -1.77 -1.43 132.00 130.49 2gds h PRO 62 Ca 0.15 -0.11 0.01 0.00 0.11 0.00 0.00 66.00 66.16 2gds h PRO 62 Cb 0.09 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.03 2gds h PRO 62 CO -0.13 0.61 0.61 0.00 -0.21 0.00 0.00 178.00 178.87 2gds h ALA 63 N 1.08 1.17 -0.08 -0.75 0.00 -1.78 -0.80 119.26 118.10 2gds h ALA 63 Ca 0.17 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2gds h ALA 63 Cb 0.12 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2gds h ALA 63 CO -0.02 0.58 -0.76 1.25 0.00 0.00 0.00 179.25 180.29 2gds h LEU 64 N 1.25 0.56 -0.37 0.00 6.46 -1.08 -1.12 115.31 121.02 2gds h LEU 64 Ca 0.34 -0.38 -0.19 0.00 -0.12 0.00 0.00 57.88 57.53 2gds h LEU 64 Cb -0.14 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.63 2gds h LEU 64 CO -0.07 1.13 -0.67 0.50 -0.62 0.00 0.00 178.44 178.71 2gds h LYS 65 N 0.31 0.60 0.14 1.25 3.64 -1.09 0.54 116.57 121.97 2gds h LYS 65 Ca -0.04 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2gds h LYS 65 Cb 1.36 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2gds h LYS 65 CO 0.14 1.06 -0.07 0.35 -2.27 0.00 0.00 179.45 178.66 2gds h PHE 66 N 0.43 -0.18 0.00 1.91 -0.00 -1.11 -0.32 116.94 117.67 2gds h PHE 66 Ca -0.02 -0.00 -0.06 0.00 -0.00 0.00 0.00 57.97 57.89 2gds h PHE 66 Cb 1.25 0.06 0.00 0.00 -0.00 0.00 0.00 35.95 37.27 2gds h PHE 66 CO 0.06 0.23 -0.23 -0.91 -0.00 0.00 0.00 178.31 177.46 2gds h ASN 67 N -0.66 0.20 -0.79 0.41 4.21 -1.31 -0.27 115.58 117.36 2gds h ASN 67 Ca -0.02 -0.80 0.08 0.00 1.21 0.00 0.00 56.30 56.77 2gds h ASN 67 Cb 0.49 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.58 2gds h ASN 67 CO 0.03 0.97 0.52 1.23 -1.29 0.00 0.00 177.43 178.89 2gds h GLY 68 N -0.56 1.07 1.05 2.83 0.00 -1.01 -0.98 103.07 105.48 2gds h GLY 68 Ca -0.03 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 2gds h GLY 68 CO 0.05 0.22 -0.44 -1.33 0.00 0.00 0.00 176.54 175.04 2gds h GLY 69 N 0.80 0.86 0.96 4.60 0.00 -1.05 -1.72 103.07 107.52 2gds h GLY 69 Ca 0.35 -0.97 0.02 0.00 0.00 0.00 0.00 47.33 46.73 2gds h GLY 69 CO -0.13 0.87 0.55 -1.33 0.00 0.00 0.00 176.54 176.50 2gds h GLY 70 N 0.54 1.19 0.69 4.60 0.00 0.03 -0.37 103.07 109.74 2gds h GLY 70 Ca 0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2gds h GLY 70 CO 0.10 0.40 -0.00 0.84 0.00 0.00 0.00 176.54 177.88 2gds h HIS 71 N 1.10 0.05 -0.21 5.60 6.17 -1.18 -2.26 115.15 124.42 2gds h HIS 71 Ca 0.32 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.42 2gds h HIS 71 Cb -0.08 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 29.81 2gds h HIS 71 CO -0.02 0.36 0.02 0.82 0.71 0.00 0.00 177.93 179.82 2gds h ILE 72 N -0.28 0.88 0.19 6.26 2.04 -1.14 -1.33 117.51 124.13 2gds h ILE 72 Ca 0.01 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2gds h ILE 72 Cb 0.34 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2gds h ILE 72 CO 0.00 0.02 -0.09 0.78 0.00 0.00 0.00 178.15 178.86 2gds h ASN 73 N 0.09 -0.21 0.35 1.72 2.35 -1.10 -2.70 115.58 116.08 2gds h ASN 73 Ca 0.10 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 2gds h ASN 73 Cb 0.11 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2gds h ASN 73 CO -0.15 -0.11 -0.63 0.45 -1.65 0.00 0.00 177.43 175.35 2gds h HIS 74 N -0.30 0.34 -0.70 1.19 3.86 -1.43 -0.58 115.15 117.53 2gds h HIS 74 Ca -0.03 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.08 2gds h HIS 74 Cb 0.23 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 2gds h HIS 74 CO -0.05 0.82 0.44 0.77 0.86 0.00 0.00 177.93 180.76 2gds h SER 75 N 0.19 0.71 0.26 2.45 0.02 -1.22 -0.82 113.55 115.14 2gds h SER 75 Ca -0.01 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2gds h SER 75 Cb 1.15 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2gds h SER 75 CO 0.10 0.49 -0.71 0.40 -1.14 0.00 0.00 176.83 175.97 2gds h ILE 76 N 0.84 1.38 -0.08 3.27 2.04 -1.36 -3.29 117.51 120.32 2gds h ILE 76 Ca 0.29 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 64.04 2gds h ILE 76 Cb 0.04 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2gds h ILE 76 CO -0.12 0.63 0.05 0.15 0.00 0.00 0.00 178.15 178.87 2gds h PHE 77 N 0.27 0.10 -0.76 1.37 3.57 -0.14 -2.36 116.94 118.99 2gds h PHE 77 Ca -0.03 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2gds h PHE 77 Cb 1.27 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 2gds h PHE 77 CO 0.04 0.07 0.50 -1.49 -2.23 0.00 0.00 178.31 175.20 2gds h TRP 78 N 0.10 0.88 0.00 0.41 -0.00 -1.27 -1.08 115.95 114.98 2gds h TRP 78 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 2gds h TRP 78 Cb -0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 28.86 2gds h TRP 78 CO -0.07 0.50 0.00 0.25 -0.00 0.00 0.00 178.44 179.12 2gds n THR 79 N -4.46 0.69 0.14 1.49 -2.24 -1.01 -2.84 114.28 106.04 2gds n THR 79 Ca 0.10 0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 2gds n THR 79 Cb 0.15 -0.88 0.05 0.00 -2.10 0.00 0.00 70.33 67.54 2gds n THR 79 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2gds h ASN 80 N 0.00 0.00 -1.90 3.42 -0.26 -0.68 -3.43 115.58 112.73 2gds h ASN 80 Ca 0.00 0.00 -0.46 0.00 -0.56 0.00 0.00 56.30 55.28 2gds h ASN 80 Cb 0.49 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 2gds h ASN 80 CO 0.00 0.22 -0.39 -0.76 -1.06 0.00 0.00 177.43 175.44 2gds s LEU 81 N -5.99 3.96 -0.22 1.61 2.01 -1.13 0.12 118.68 119.05 2gds s LEU 81 Ca 0.03 -0.20 -0.28 0.00 0.01 0.00 0.00 54.13 53.69 2gds s LEU 81 Cb 0.07 -2.65 0.13 0.00 0.01 0.00 0.00 46.19 43.75 2gds s LEU 81 CO 0.74 -0.33 1.03 -0.55 1.01 0.00 0.00 176.35 178.25 2gds s SER 82 N -4.09 -0.40 0.47 2.29 0.15 0.11 -4.49 113.70 107.75 2gds s SER 82 Ca 0.42 0.61 0.26 0.00 0.70 0.00 0.00 55.95 57.93 2gds s SER 82 Cb -0.09 0.56 1.14 0.00 -1.71 0.00 0.00 66.02 65.92 2gds s SER 82 CO 0.30 -0.24 1.92 1.55 1.20 0.00 0.00 173.24 177.97 2gds h PRO 83 N 3.33 0.00 -0.89 5.44 0.13 -1.84 -2.23 132.00 135.94 2gds h PRO 83 Ca -0.23 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.41 2gds h PRO 83 Cb 1.17 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 2gds h PRO 83 CO 0.21 0.19 0.54 0.09 -0.23 0.00 0.00 178.00 178.80 2gds n ASN 84 N -3.48 4.07 -0.39 1.44 5.03 -1.26 -4.98 115.26 115.70 2gds n ASN 84 Ca -0.01 -3.67 0.00 0.00 0.87 0.00 0.00 54.58 51.78 2gds n ASN 84 Cb 0.35 -0.82 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 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 -1.11 1.60 0.00 7.41 0.00 -0.84 -4.98 105.19 107.27 2gds n GLY 85 Ca 0.56 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.06 4.05 -0.02 0.00 -0.29 -4.71 105.19 108.15 2gds n GLY 86 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.04 0.26 3.03 -0.02 0.00 -1.26 -4.85 105.19 101.32 2gds n GLY 87 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 0.45 1.18 1.61 2.02 -1.26 -5.03 118.70 117.67 2gds s GLU 88 Ca 0.00 -0.64 -0.19 0.00 0.02 0.00 0.00 54.97 54.16 2gds s GLU 88 Cb 0.00 -0.19 0.28 0.00 0.10 0.00 0.00 34.13 34.32 2gds s GLU 88 CO 0.00 0.03 1.14 -1.25 0.02 0.00 0.00 175.26 175.20 2gds s PRO 89 N -1.36 -1.07 0.08 0.39 0.04 -1.26 -5.05 135.00 126.77 2gds s PRO 89 Ca -0.10 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 60.66 2gds s PRO 89 Cb -0.09 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.84 2gds s PRO 89 CO -0.00 -3.59 0.28 -1.59 0.04 0.00 0.00 177.00 172.14 2gds s LYS 90 N -5.51 0.87 6.91 4.56 -2.85 -1.26 -4.61 119.74 117.85 2gds s LYS 90 Ca 0.72 -0.70 0.00 0.00 -1.00 0.00 0.00 55.97 54.99 2gds s LYS 90 Cb -0.08 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 2gds s LYS 90 CO 0.55 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 176.12 2gds n GLY 91 N 0.21 2.07 0.31 0.59 0.00 -1.26 -3.62 105.19 103.48 2gds n GLY 91 Ca -0.17 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.25 0.04 1.61 4.57 -1.99 0.27 114.58 119.33 2gds h GLU 92 Ca 0.00 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 2gds h GLU 92 Cb 0.00 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2gds h GLU 92 CO 0.00 0.17 -0.41 1.25 -1.18 0.00 0.00 179.01 178.83 2gds h LEU 93 N 0.26 0.30 -1.30 1.64 5.85 -1.96 -2.30 115.31 117.80 2gds h LEU 93 Ca 0.57 -0.86 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2gds h LEU 93 Cb 1.17 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2gds h LEU 93 CO -0.62 1.13 0.23 0.25 -0.34 0.00 0.00 178.44 179.09 2gds h LEU 94 N -0.48 0.64 0.74 2.25 5.85 -1.57 -1.29 115.31 121.44 2gds h LEU 94 Ca -0.06 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2gds h LEU 94 Cb 1.22 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 42.09 2gds h LEU 94 CO 0.08 0.56 -0.35 -0.08 -0.34 0.00 0.00 178.44 178.31 2gds h GLU 95 N 0.72 -0.95 -0.59 1.25 4.81 -0.54 -1.48 114.58 117.80 2gds h GLU 95 Ca 0.18 0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.62 2gds h GLU 95 Cb 0.09 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2gds h GLU 95 CO -0.02 -0.63 0.41 0.00 -0.73 0.00 0.00 179.01 178.04 2gds h ALA 96 N -0.76 2.37 -0.21 2.92 0.00 -1.06 -0.09 119.26 122.43 2gds h ALA 96 Ca -0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2gds h ALA 96 Cb 0.76 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2gds h ALA 96 CO 0.17 -0.53 -0.19 0.82 0.00 0.00 0.00 179.25 179.51 2gds h ILE 97 N 0.13 1.33 -0.69 0.00 2.04 -0.94 -2.77 117.51 116.61 2gds h ILE 97 Ca 0.28 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 2gds h ILE 97 Cb 0.93 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 2gds h ILE 97 CO -0.04 0.41 0.35 0.11 0.00 0.00 0.00 178.15 178.99 2gds h LYS 98 N 0.18 0.96 -0.10 2.37 1.57 0.03 0.18 116.57 121.76 2gds h LYS 98 Ca 0.03 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 2gds h LYS 98 Cb 0.73 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2gds h LYS 98 CO 0.05 0.72 -0.65 0.00 -0.57 0.00 0.00 179.45 179.00 2gds h ARG 99 N 0.96 0.41 0.00 3.15 3.08 -1.37 -0.01 114.38 120.61 2gds h ARG 99 Ca 0.24 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 2gds h ARG 99 Cb 0.06 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2gds h ARG 99 CO -0.04 0.92 -1.45 -0.25 -1.07 0.00 0.00 179.97 178.09 2gds n ASP 100 N -3.88 0.60 0.00 7.04 10.43 -1.05 -4.57 116.55 125.12 2gds n ASP 100 Ca -0.04 0.24 0.00 0.00 2.57 0.00 0.00 54.79 57.57 2gds n ASP 100 Cb 0.66 0.76 0.00 0.00 1.84 0.00 0.00 41.12 44.38 2gds n ASP 100 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2gds n PHE 101 N -2.65 0.00 0.00 1.24 3.01 0.61 -5.06 117.46 114.62 2gds n PHE 101 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 2gds n PHE 101 Cb 0.68 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 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 1.02 1.98 3.28 1.37 0.00 -0.02 -4.64 105.19 108.19 2gds n GLY 102 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 0.89 0.20 1.61 1.04 -1.26 -4.41 113.70 111.77 2gds s SER 103 Ca 0.00 -1.42 -0.06 0.00 0.48 0.00 0.00 55.95 54.95 2gds s SER 103 Cb 0.00 0.27 0.13 0.00 0.10 0.00 0.00 66.02 66.52 2gds s SER 103 CO 0.00 -0.79 1.60 0.15 0.98 0.00 0.00 173.24 175.18 2gds h PHE 104 N 2.44 0.96 -0.14 5.02 3.57 -1.92 -1.54 116.94 125.32 2gds h PHE 104 Ca -0.37 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 60.87 2gds h PHE 104 Cb 1.25 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2gds h PHE 104 CO 0.52 0.98 -0.09 -0.44 -2.23 0.00 0.00 178.31 177.05 2gds h ASP 105 N 0.73 0.20 0.10 0.41 5.19 -1.98 -0.78 116.42 120.30 2gds h ASP 105 Ca 0.10 -0.03 -0.25 0.00 -0.62 0.00 0.00 57.03 56.22 2gds h ASP 105 Cb 0.75 -0.05 0.03 0.00 0.18 0.00 0.00 39.33 40.24 2gds h ASP 105 CO 0.06 0.32 -1.05 0.11 -3.12 0.00 0.00 179.24 175.57 2gds h LYS 106 N 0.21 0.53 -0.88 3.56 1.57 -1.83 -2.67 116.57 117.05 2gds h LYS 106 Ca 0.05 -0.70 0.07 0.00 -1.87 0.00 0.00 60.65 58.19 2gds h LYS 106 Cb 0.30 0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 2gds h LYS 106 CO 0.02 1.30 0.55 0.35 -0.57 0.00 0.00 179.45 181.10 2gds h PHE 107 N 0.08 1.01 0.28 -1.35 3.04 -0.88 -0.44 116.94 118.67 2gds h PHE 107 Ca -0.16 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 2gds h PHE 107 Cb 1.75 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.94 2gds h PHE 107 CO 0.14 0.50 -0.13 0.87 -2.02 0.00 0.00 178.31 177.66 2gds h LYS 108 N 0.98 -0.36 -0.65 1.11 1.57 -1.19 -1.49 116.57 116.54 2gds h LYS 108 Ca 0.39 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.27 2gds h LYS 108 Cb 0.21 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2gds h LYS 108 CO -0.19 -0.16 0.43 1.49 -0.57 0.00 0.00 179.45 180.45 2gds h GLU 109 N -0.49 0.59 -0.07 3.15 4.81 -1.08 0.17 114.58 121.67 2gds h GLU 109 Ca -0.04 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 2gds h GLU 109 Cb 0.36 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.62 2gds h GLU 109 CO 0.06 0.39 -0.62 0.87 -0.73 0.00 0.00 179.01 178.98 2gds h LYS 110 N 0.61 0.54 0.00 1.92 1.57 -0.96 -2.29 116.57 117.95 2gds h LYS 110 Ca 0.28 -0.49 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 2gds h LYS 110 Cb 0.34 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2gds h LYS 110 CO -0.09 1.12 -0.47 1.25 -0.57 0.00 0.00 179.45 180.69 2gds h LEU 111 N 0.13 0.00 -0.40 2.94 5.85 -0.92 -2.31 115.31 120.60 2gds h LEU 111 Ca -0.06 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 2gds h LEU 111 Cb 1.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2gds h LEU 111 CO 0.13 0.47 -0.64 0.74 -0.34 0.00 0.00 178.44 178.80 2gds h THR 112 N 0.00 1.32 -0.14 1.05 2.02 -0.68 -2.59 112.91 113.90 2gds h THR 112 Ca -0.00 -1.91 -0.15 0.00 0.77 0.00 0.00 66.41 65.11 2gds h THR 112 Cb 1.06 1.88 0.01 0.00 -1.74 0.00 0.00 68.15 69.36 2gds h THR 112 CO 0.06 0.59 -0.51 0.00 0.37 0.00 0.00 175.52 176.03 2gds h ALA 113 N 0.86 0.25 -0.71 6.16 0.00 -1.32 -1.47 119.26 123.03 2gds h ALA 113 Ca -0.01 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.40 2gds h ALA 113 Cb 1.21 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2gds h ALA 113 CO 0.12 0.44 0.47 0.00 0.00 0.00 0.00 179.25 180.28 2gds h ALA 114 N 0.52 1.51 0.01 0.00 0.00 -1.45 0.30 119.26 120.16 2gds h ALA 114 Ca -0.02 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 2gds h ALA 114 Cb 1.14 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2gds h ALA 114 CO 0.11 0.45 -1.01 0.77 0.00 0.00 0.00 179.25 179.56 2gds h SER 115 N 0.94 0.69 1.07 0.00 0.02 -1.45 -3.24 113.55 111.58 2gds h SER 115 Ca 0.26 -0.57 -0.12 0.00 -0.84 0.00 0.00 61.79 60.52 2gds h SER 115 Cb -0.08 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 2gds h SER 115 CO -0.06 1.37 -0.59 0.58 -1.14 0.00 0.00 176.83 176.99 2gds h VAL 116 N 0.29 1.14 0.00 2.27 2.07 -0.86 -3.19 116.25 117.97 2gds h VAL 116 Ca -0.11 -2.26 -0.03 0.00 0.82 0.00 0.00 66.70 65.12 2gds h VAL 116 Cb 1.66 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 33.75 2gds h VAL 116 CO 0.19 0.58 -0.16 1.23 0.02 0.00 0.00 177.57 179.43 2gds h GLY 117 N 2.72 0.00 -6.34 2.17 0.00 -0.45 -3.44 103.07 97.74 2gds h GLY 117 Ca -0.01 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.68 2gds h GLY 117 CO 0.08 0.00 1.23 -0.62 0.00 0.00 0.00 176.54 177.23 2gds n VAL 118 N -3.41 0.41 -3.27 4.60 0.31 -1.21 -4.92 118.33 110.84 2gds n VAL 118 Ca -0.00 -0.19 -0.40 0.00 -0.01 0.00 0.00 64.34 63.73 2gds n VAL 118 Cb 0.35 -1.85 -0.08 0.00 -0.91 0.00 0.00 33.84 31.35 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 4.98 4.04 1.76 5.55 -0.21 -1.26 -4.88 119.66 129.63 2gds s GLN 119 Ca 0.99 0.23 0.00 0.00 0.02 0.00 0.00 55.36 56.60 2gds s GLN 119 Cb -0.73 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 29.62 2gds s GLN 119 CO 0.50 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.73 2gds n GLY 120 N 4.49 -0.34 3.84 3.09 0.00 -1.26 -4.90 105.19 110.10 2gds n GLY 120 Ca -0.05 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 6.88 0.00 1.61 0.01 -1.26 -4.83 113.70 112.10 2gds s SER 121 Ca 0.00 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2gds s SER 121 Cb 0.00 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2gds s SER 121 CO 0.00 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2gds n GLY 122 N 0.53 -0.87 3.13 3.44 0.00 -1.26 -0.51 105.19 109.64 2gds n GLY 122 Ca -0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.00 0.38 -0.05 1.61 0.52 -0.05 -1.60 118.94 116.74 2gds s TRP 123 Ca 0.00 -0.88 0.03 0.00 0.02 0.00 0.00 56.10 55.27 2gds s TRP 123 Cb 0.00 -0.26 -0.03 0.00 -1.15 0.00 0.00 33.47 32.03 2gds s TRP 123 CO 0.00 -0.44 -0.14 0.20 0.02 0.00 0.00 176.95 176.59 2gds s GLY 124 N -2.87 1.54 0.04 0.98 0.00 -0.85 -1.63 107.32 104.52 2gds s GLY 124 Ca 0.06 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.82 2gds s GLY 124 CO -0.10 -0.73 -0.06 -0.98 0.00 0.00 0.00 173.10 171.23 2gds s TRP 125 N -0.67 0.55 -0.24 1.90 0.52 0.95 -1.74 118.94 120.21 2gds s TRP 125 Ca 0.10 -0.54 -0.04 0.00 0.02 0.00 0.00 56.10 55.65 2gds s TRP 125 Cb -0.11 -0.34 0.00 0.00 -1.15 0.00 0.00 33.47 31.87 2gds s TRP 125 CO 0.01 -0.12 -0.03 -1.17 0.02 0.00 0.00 176.95 175.66 2gds s LEU 126 N -1.62 3.11 0.00 2.99 2.96 0.02 -1.70 118.68 124.44 2gds s LEU 126 Ca -0.11 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.27 2gds s LEU 126 Cb -0.09 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 2gds s LEU 126 CO -0.00 -0.07 0.06 0.61 -1.32 0.00 0.00 176.35 175.62 2gds n GLY 127 N 4.78 3.59 3.04 7.98 0.00 0.02 -0.85 105.19 123.75 2gds n GLY 127 Ca -0.17 -2.18 -0.24 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.52 1.46 -0.67 1.61 5.36 -0.36 -1.84 117.98 121.02 2gds s PHE 128 Ca 0.08 -0.50 -0.19 0.00 -0.96 0.00 0.00 56.93 55.36 2gds s PHE 128 Cb 0.00 -1.05 0.11 0.00 -0.34 0.00 0.00 43.02 41.75 2gds s PHE 128 CO 0.06 -0.24 0.81 1.21 -1.46 0.00 0.00 175.22 175.59 2gds s ASN 129 N 0.50 6.29 0.29 6.13 3.84 0.19 -1.86 114.94 130.31 2gds s ASN 129 Ca -0.12 -1.56 -0.02 0.00 0.21 0.00 0.00 52.86 51.37 2gds s ASN 129 Cb -0.14 -2.32 0.43 0.00 -0.55 0.00 0.00 41.25 38.66 2gds s ASN 129 CO 0.03 -1.11 1.94 0.11 -2.79 0.00 0.00 177.10 175.28 2gds h LYS 130 N 9.08 1.11 -0.14 0.43 1.57 -1.89 0.61 116.57 127.35 2gds h LYS 130 Ca -0.20 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 2gds h LYS 130 Cb 1.07 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2gds h LYS 130 CO 1.09 0.74 -0.35 1.49 -0.57 0.00 0.00 179.45 181.84 2gds h GLU 131 N 1.15 0.28 -0.13 3.15 4.81 -1.96 -3.04 114.58 118.83 2gds h GLU 131 Ca 0.35 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2gds h GLU 131 Cb -0.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2gds h GLU 131 CO -0.10 0.60 0.00 0.54 -0.73 0.00 0.00 179.01 179.32 2gds n ARG 132 N -4.07 2.07 -1.96 1.92 1.74 -0.73 -4.99 116.66 110.63 2gds n ARG 132 Ca -0.01 -1.89 -0.16 0.00 -0.77 0.00 0.00 57.85 55.02 2gds n ARG 132 Cb 0.44 -1.42 -0.04 0.00 -1.02 0.00 0.00 32.46 30.42 2gds n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gds n GLY 133 N 1.23 0.44 3.33 -0.13 0.00 0.21 -4.95 105.19 105.32 2gds n GLY 133 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.56 1.32 0.78 1.61 -3.43 -1.10 -4.97 115.29 106.94 2gds s HIS 134 Ca 0.00 -1.43 -0.12 0.00 -0.80 0.00 0.00 55.06 52.71 2gds s HIS 134 Cb 0.00 -0.46 0.06 0.00 -1.43 0.00 0.00 32.58 30.75 2gds s HIS 134 CO 0.00 -0.88 1.13 -0.51 -2.00 0.00 0.00 174.74 172.48 2gds s LEU 135 N -3.25 2.61 -0.29 5.38 1.43 -1.26 0.52 118.68 123.82 2gds s LEU 135 Ca 0.37 1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 54.33 2gds s LEU 135 Cb 0.03 -3.62 0.14 0.00 0.03 0.00 0.00 46.19 42.76 2gds s LEU 135 CO 0.20 -1.78 0.92 -1.58 0.23 0.00 0.00 176.35 174.34 2gds s GLN 136 N -5.39 0.43 0.17 1.70 0.74 -0.77 -4.69 119.66 111.86 2gds s GLN 136 Ca 0.61 0.77 -0.21 0.00 0.05 0.00 0.00 55.36 56.58 2gds s GLN 136 Cb -0.12 0.12 -0.08 0.00 1.10 0.00 0.00 33.01 34.03 2gds s GLN 136 CO 0.51 -0.09 0.70 0.42 -0.55 0.00 0.00 175.29 176.28 2gds s ILE 137 N 1.48 4.56 0.07 -2.34 -1.09 -1.26 -0.80 121.20 121.81 2gds s ILE 137 Ca -0.09 1.36 -0.13 0.00 -2.23 0.00 0.00 60.65 59.56 2gds s ILE 137 Cb -0.04 -3.94 0.02 0.00 -1.58 0.00 0.00 42.46 36.92 2gds s ILE 137 CO -0.16 0.37 0.30 0.00 -1.23 0.00 0.00 174.94 174.22 2gds s ALA 138 N -1.34 -0.65 -0.03 9.38 0.00 -0.69 -4.96 121.76 123.48 2gds s ALA 138 Ca 0.38 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.29 2gds s ALA 138 Cb -0.19 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 2gds s ALA 138 CO 0.22 -0.47 -0.22 0.00 0.00 0.00 0.00 175.76 175.28 2gds s ALA 139 N -3.01 1.88 -0.08 0.00 0.00 -1.26 -0.03 121.76 119.26 2gds s ALA 139 Ca -0.02 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2gds s ALA 139 Cb 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2gds s ALA 139 CO -0.06 0.42 -0.19 0.00 0.00 0.00 0.00 175.76 175.93 2gds s PRO 141 N 0.36 4.36 4.69 0.00 0.04 -1.26 -0.87 135.00 142.32 2gds s PRO 141 Ca -0.14 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2gds s PRO 141 Cb -0.16 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2gds s PRO 141 CO 0.06 0.03 0.00 0.09 0.04 0.00 0.00 177.00 177.22 2gds n ASN 142 N 0.32 0.00 -0.84 6.66 5.03 0.33 -0.93 115.26 125.83 2gds n ASN 142 Ca 0.03 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.55 2gds n ASN 142 Cb 0.49 0.00 0.22 0.00 -1.02 0.00 0.00 39.78 39.47 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 12.42 2.99 -1.67 3.52 1.13 -1.26 -3.99 117.38 130.52 2gds n GLN 143 Ca 0.00 -2.51 -0.45 0.00 -1.94 0.00 0.00 57.00 52.10 2gds n GLN 143 Cb 0.00 -1.61 -0.04 0.00 0.11 0.00 0.00 30.24 28.70 2gds n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2gds n ASP 144 N 0.05 3.81 -4.78 1.08 10.43 -0.11 -4.09 116.55 122.94 2gds n ASP 144 Ca 0.17 0.94 -0.38 0.00 2.57 0.00 0.00 54.79 58.10 2gds n ASP 144 Cb 0.70 -1.45 -0.04 0.00 1.84 0.00 0.00 41.12 42.16 2gds n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 2gds s PRO 145 N 4.13 4.28 0.03 -0.24 0.04 -1.26 -4.64 135.00 137.34 2gds s PRO 145 Ca 0.90 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.43 2gds s PRO 145 Cb -0.56 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 2gds s PRO 145 CO 0.46 -0.06 1.17 1.25 0.04 0.00 0.00 177.00 179.87 2gds h LEU 146 N 2.84 -0.46 -0.84 -3.56 6.46 -1.91 -2.06 115.31 115.77 2gds h LEU 146 Ca -0.48 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.32 2gds h LEU 146 Cb 1.21 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 41.27 2gds h LEU 146 CO 0.63 -0.19 0.52 -0.61 -0.62 0.00 0.00 178.44 178.18 2gds h GLN 147 N -0.27 1.13 0.00 1.25 4.15 -1.81 0.50 115.11 120.07 2gds h GLN 147 Ca -0.01 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 2gds h GLN 147 Cb 0.25 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 2gds h GLN 147 CO -0.06 0.78 -0.13 0.78 -1.93 0.00 0.00 178.83 178.28 2gds h GLY 148 N 1.15 0.00 0.00 2.39 0.00 -1.85 -1.80 103.07 102.96 2gds h GLY 148 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 2gds h GLY 148 CO -0.06 0.00 -1.26 -1.30 0.00 0.00 0.00 176.54 173.92 2gds n THR 149 N -3.37 0.16 0.17 4.70 -2.24 -0.78 -4.74 114.28 108.19 2gds n THR 149 Ca -0.01 -0.15 0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2gds n THR 149 Cb 0.32 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.93 0.00 -0.43 4.28 -2.24 0.15 -5.01 114.28 109.10 2gds n THR 150 Ca -0.04 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2gds n THR 150 Cb 0.40 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.66 1.88 3.84 3.38 0.00 -0.68 -4.99 105.19 110.28 2gds n GLY 151 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 3.91 -0.12 0.99 1.43 -1.26 -4.87 118.68 118.76 2gds s LEU 152 Ca 0.00 1.47 -0.26 0.00 -1.03 0.00 0.00 54.13 54.31 2gds s LEU 152 Cb 0.00 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 2gds s LEU 152 CO 0.00 -0.36 0.84 -0.63 0.23 0.00 0.00 176.35 176.44 2gds s ILE 153 N -2.22 4.90 0.26 -0.59 -1.09 -0.78 -2.40 121.20 119.28 2gds s ILE 153 Ca 0.58 1.69 -0.30 0.00 -2.23 0.00 0.00 60.65 60.39 2gds s ILE 153 Cb -0.10 -4.16 -0.10 0.00 -1.58 0.00 0.00 42.46 36.52 2gds s ILE 153 CO 0.20 0.09 1.48 -2.84 -1.23 0.00 0.00 174.94 172.64 2gds s PRO 154 N 1.69 4.23 0.03 2.79 0.02 -1.26 -1.22 135.00 141.28 2gds s PRO 154 Ca 0.41 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.80 2gds s PRO 154 Cb -0.18 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2gds s PRO 154 CO 0.16 -0.48 0.00 1.28 -0.33 0.00 0.00 177.00 177.63 2gds n LEU 155 N 2.36 0.30 -3.74 -5.54 4.32 -0.03 -4.85 117.00 109.82 2gds n LEU 155 Ca 0.07 0.04 -0.15 0.00 -0.02 0.00 0.00 56.01 55.96 2gds n LEU 155 Cb 0.39 -0.09 -0.15 0.00 -1.62 0.00 0.00 43.42 41.95 2gds n LEU 155 CO 0.61 -0.23 -0.27 -0.22 -1.22 0.00 0.00 177.39 176.06 2gds s LEU 156 N -6.26 0.69 0.02 2.23 2.96 -0.77 -4.52 118.68 113.04 2gds s LEU 156 Ca 0.00 0.21 0.09 0.00 -0.22 0.00 0.00 54.13 54.20 2gds s LEU 156 Cb 0.00 0.18 -0.03 0.00 0.50 0.00 0.00 46.19 46.85 2gds s LEU 156 CO 0.00 -0.16 -0.26 -0.83 -1.32 0.00 0.00 176.35 173.78 2gds s GLY 157 N 1.35 1.33 -0.24 7.98 0.00 -1.26 -0.80 107.32 115.68 2gds s GLY 157 Ca -0.07 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.43 2gds s GLY 157 CO -0.05 -1.06 0.07 -1.50 0.00 0.00 0.00 173.10 170.57 2gds s ILE 158 N -0.73 0.44 -0.09 0.90 1.10 -0.71 -4.88 121.20 117.23 2gds s ILE 158 Ca 0.11 -0.77 -0.29 0.00 -0.51 0.00 0.00 60.65 59.19 2gds s ILE 158 Cb -0.10 -1.14 -0.06 0.00 0.15 0.00 0.00 42.46 41.31 2gds s ILE 158 CO 0.01 -0.43 1.90 -0.62 -2.11 0.00 0.00 174.94 173.70 2gds s ASP 159 N 1.87 6.24 -0.18 4.50 3.68 -1.26 -2.00 116.67 129.52 2gds s ASP 159 Ca 0.04 2.21 0.16 0.00 2.13 0.00 0.00 52.55 57.08 2gds s ASP 159 Cb -0.17 -2.53 0.59 0.00 -1.45 0.00 0.00 42.92 39.36 2gds s ASP 159 CO -0.18 -1.29 1.49 1.33 0.13 0.00 0.00 175.17 176.66 2gds n VAL 160 N 6.22 2.28 -2.14 1.11 0.24 -0.63 -4.84 118.33 120.58 2gds n VAL 160 Ca 0.22 -1.69 -0.36 0.00 -2.04 0.00 0.00 64.34 60.47 2gds n VAL 160 Cb 0.43 -0.19 0.01 0.00 -1.47 0.00 0.00 33.84 32.62 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 -2.64 2.59 0.47 6.34 0.52 -1.22 -4.51 118.94 120.49 2gds s TRP 161 Ca 0.44 1.52 0.18 0.00 0.02 0.00 0.00 56.10 58.25 2gds s TRP 161 Cb 0.34 -3.42 1.18 0.00 -1.15 0.00 0.00 33.47 30.42 2gds s TRP 161 CO 0.12 -1.89 2.05 0.93 0.02 0.00 0.00 176.95 178.18 2gds h GLU 162 N 1.33 0.00 0.00 4.98 5.08 -1.93 -2.00 114.58 122.04 2gds h GLU 162 Ca -0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2gds h GLU 162 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2gds h GLU 162 CO 0.57 0.13 -0.06 1.12 -1.00 0.00 0.00 179.01 179.77 2gds h HIS 163 N 0.00 0.00 0.00 4.33 2.07 -1.98 -0.68 115.15 118.89 2gds h HIS 163 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2gds h HIS 163 Cb 0.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.22 2gds h HIS 163 CO 0.00 0.06 0.00 0.00 -3.07 0.00 0.00 177.93 174.92 2gds n ALA 164 N -2.18 2.19 0.00 6.11 0.00 -0.75 -4.47 120.51 121.40 2gds n ALA 164 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2gds n ALA 164 Cb 0.22 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.43 0.00 -0.26 0.00 4.11 -1.07 -4.99 117.16 113.52 2gds n TYR 165 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.05 2gds n TYR 165 Cb 0.27 0.00 0.19 0.00 -0.00 0.00 0.00 39.34 39.80 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 0.17 0.00 -3.48 3.20 -1.27 0.17 116.97 115.77 2gds h TYR 166 Ca 0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2gds h TYR 166 Cb 0.00 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 2gds h TYR 166 CO 0.00 -0.17 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.27 2gds h LEU 167 N 0.20 0.00 0.00 2.82 3.38 -1.85 0.26 115.31 120.11 2gds h LEU 167 Ca 0.44 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.15 2gds h LEU 167 Cb 0.79 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2gds h LEU 167 CO -0.59 0.02 -1.94 1.67 0.09 0.00 0.00 178.44 177.69 2gds n GLN 168 N -3.74 0.40 -0.06 1.13 7.27 -0.55 -4.69 117.38 117.14 2gds n GLN 168 Ca -0.03 0.11 0.09 0.00 0.07 0.00 0.00 57.00 57.25 2gds n GLN 168 Cb 0.11 -1.27 0.11 0.00 2.41 0.00 0.00 30.24 31.60 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 -3.20 0.16 0.00 3.69 4.02 0.51 -5.06 117.16 117.27 2gds n TYR 169 Ca -0.30 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.48 2gds n TYR 169 Cb 0.79 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.11 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 1.05 0.00 -0.05 -0.72 4.01 0.91 -2.13 118.16 121.22 2gds n LYS 170 Ca 0.12 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.05 2gds n LYS 170 Cb 0.47 0.00 0.35 0.00 -0.51 0.00 0.00 35.03 35.34 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 6.73 2.14 -4.41 4.39 6.94 -1.26 -4.06 115.26 125.72 2gds n ASN 171 Ca 0.00 -1.74 -0.45 0.00 -0.02 0.00 0.00 54.58 52.37 2gds n ASN 171 Cb 0.00 -0.07 -0.01 0.00 -2.36 0.00 0.00 39.78 37.33 2gds n ASN 171 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2gds s VAL 172 N -1.86 5.18 0.34 3.53 1.01 -0.91 -4.87 120.40 122.82 2gds s VAL 172 Ca 0.34 -2.29 0.01 0.00 0.00 0.00 0.00 61.98 60.04 2gds s VAL 172 Cb 0.20 -4.72 0.26 0.00 0.00 0.00 0.00 36.38 32.13 2gds s VAL 172 CO 0.30 -1.38 2.00 -0.09 0.00 0.00 0.00 175.10 175.93 2gds h ARG 173 N 7.89 0.89 -0.97 2.72 2.43 -1.86 -2.86 114.38 122.63 2gds h ARG 173 Ca 0.19 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 2gds h ARG 173 Cb 0.97 -0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.24 2gds h ARG 173 CO 1.05 0.59 0.60 -1.35 -1.51 0.00 0.00 179.97 179.35 2gds h PRO 174 N 0.92 0.95 -0.48 0.20 0.11 -1.98 -0.04 132.00 131.69 2gds h PRO 174 Ca 0.25 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 2gds h PRO 174 Cb -0.10 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.78 2gds h PRO 174 CO -0.06 0.63 0.13 -0.44 -0.21 0.00 0.00 178.00 178.06 2gds h ASP 175 N 0.98 0.72 -0.69 -2.05 3.45 -1.91 0.21 116.42 117.13 2gds h ASP 175 Ca 0.47 -0.22 -0.01 0.00 0.43 0.00 0.00 57.03 57.70 2gds h ASP 175 Cb 0.41 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.96 2gds h ASP 175 CO -0.25 0.75 0.40 0.22 -1.57 0.00 0.00 179.24 178.79 2gds h TYR 176 N 0.65 0.93 -0.58 4.55 5.03 -1.41 0.08 116.97 126.22 2gds h TYR 176 Ca 0.15 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.38 2gds h TYR 176 Cb 0.30 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 2gds h TYR 176 CO 0.02 0.65 0.07 -0.07 -1.32 0.00 0.00 178.16 177.51 2gds h LEU 177 N 0.95 0.94 -0.64 2.82 -0.00 -0.67 -0.35 115.31 118.35 2gds h LEU 177 Ca 0.25 -0.27 -0.10 0.00 -0.00 0.00 0.00 57.88 57.75 2gds h LEU 177 Cb 0.01 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.39 2gds h LEU 177 CO -0.04 0.98 -0.06 0.50 -0.00 0.00 0.00 178.44 179.81 2gds h LYS 178 N 0.87 1.00 -0.16 1.13 3.64 -0.24 -3.28 116.57 119.54 2gds h LYS 178 Ca 0.17 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 2gds h LYS 178 Cb 0.45 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2gds h LYS 178 CO 0.02 1.02 -0.29 0.00 -2.27 0.00 0.00 179.45 177.92 2gds h ALA 179 N 1.02 0.25 -0.16 5.00 0.00 -0.80 -3.28 119.26 121.28 2gds h ALA 179 Ca 0.15 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2gds h ALA 179 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2gds h ALA 179 CO 0.04 0.26 0.32 0.97 0.00 0.00 0.00 179.25 180.84 2gds h ILE 180 N 0.10 0.20 0.00 0.00 2.10 -1.12 -0.30 117.51 118.50 2gds h ILE 180 Ca 0.01 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 2gds h ILE 180 Cb 0.88 0.72 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2gds h ILE 180 CO 0.07 0.00 -0.02 -0.50 -1.08 0.00 0.00 178.15 176.61 2gds h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.67 -2.47 115.95 118.06 2gds h TRP 181 Ca 0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.03 2gds h TRP 181 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 2gds h TRP 181 CO 0.00 0.02 0.00 -0.91 -3.56 0.00 0.00 178.44 173.99 2gds h ASN 182 N 0.00 0.00 -0.09 -3.49 2.35 -1.27 -3.30 115.58 109.78 2gds h ASN 182 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2gds h ASN 182 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2gds h ASN 182 CO 0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 2gds n VAL 183 N -2.44 0.63 -1.75 2.81 0.24 -0.93 -2.37 118.33 114.52 2gds n VAL 183 Ca 0.04 -0.82 -0.42 0.00 -2.04 0.00 0.00 64.34 61.10 2gds n VAL 183 Cb 0.37 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.43 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 -0.76 2.79 -1.26 1.34 -1.09 -1.21 0.07 121.20 121.06 2gds s ILE 184 Ca 0.08 0.13 -0.15 0.00 -2.23 0.00 0.00 60.65 58.48 2gds s ILE 184 Cb 0.04 -3.09 0.13 0.00 -1.58 0.00 0.00 42.46 37.97 2gds s ILE 184 CO 0.06 -0.00 1.61 -3.20 -1.23 0.00 0.00 174.94 172.17 2gds n ASN 185 N 6.25 5.06 0.19 3.58 5.15 0.34 -1.14 115.26 134.69 2gds n ASN 185 Ca 0.18 -2.96 0.17 0.00 -0.60 0.00 0.00 54.58 51.37 2gds n ASN 185 Cb 0.39 -1.64 0.80 0.00 -0.53 0.00 0.00 39.78 38.81 2gds n ASN 185 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 2gds h TRP 186 N 7.16 0.00 -0.75 1.20 4.06 -1.89 0.10 115.95 125.84 2gds h TRP 186 Ca 0.38 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.31 2gds h TRP 186 Cb 0.85 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.97 2gds h TRP 186 CO 1.25 0.00 0.37 1.49 -3.56 0.00 0.00 178.44 177.99 2gds h GLU 187 N 0.00 1.06 -0.12 0.49 4.81 -1.96 -1.62 114.58 117.24 2gds h GLU 187 Ca 0.10 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 2gds h GLU 187 Cb 0.53 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2gds h GLU 187 CO -0.00 0.81 -0.42 -0.97 -0.73 0.00 0.00 179.01 177.69 2gds h ASN 188 N 1.06 0.58 -0.28 1.04 -0.73 -1.07 -3.08 115.58 113.09 2gds h ASN 188 Ca 0.26 -0.62 0.03 0.00 1.87 0.00 0.00 56.30 57.84 2gds h ASN 188 Cb 0.09 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 2gds h ASN 188 CO -0.04 1.09 0.11 0.58 -0.37 0.00 0.00 177.43 178.81 2gds h VAL 189 N 0.09 0.94 -0.80 2.57 2.07 -1.21 -1.21 116.25 118.71 2gds h VAL 189 Ca -0.02 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.45 2gds h VAL 189 Cb 1.06 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2gds h VAL 189 CO 0.09 0.05 0.53 0.71 0.02 0.00 0.00 177.57 178.96 2gds h THR 190 N 0.25 1.12 -0.66 2.57 1.35 -1.38 0.50 112.91 116.66 2gds h THR 190 Ca 0.12 -0.33 -0.08 0.00 -0.55 0.00 0.00 66.41 65.57 2gds h THR 190 Cb 0.08 0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 66.53 2gds h THR 190 CO -0.11 0.18 0.10 -0.33 -0.25 0.00 0.00 175.52 175.10 2gds h GLU 191 N 0.97 1.09 -0.17 4.72 5.08 -1.32 0.84 114.58 125.80 2gds h GLU 191 Ca 0.32 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2gds h GLU 191 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2gds h GLU 191 CO -0.10 1.00 -0.46 0.00 -1.00 0.00 0.00 179.01 178.46 2gds h ARG 192 N 1.02 0.43 0.12 2.33 3.08 -0.02 -2.43 114.38 118.91 2gds h ARG 192 Ca 0.20 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2gds h ARG 192 Cb 0.45 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2gds h ARG 192 CO 0.01 0.80 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.74 2gds h TYR 193 N 0.34 -0.15 -0.62 3.04 3.20 0.75 -3.05 116.97 120.48 2gds h TYR 193 Ca 0.02 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.00 2gds h TYR 193 Cb 0.95 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 2gds h TYR 193 CO 0.03 0.16 0.42 0.52 -1.64 0.00 0.00 178.16 177.65 2gds h MET 194 N -0.47 0.37 0.00 1.82 2.86 0.75 -0.29 114.93 119.97 2gds h MET 194 Ca -0.02 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2gds h MET 194 Cb 0.38 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2gds h MET 194 CO 0.03 0.25 -0.02 0.00 1.06 0.00 0.00 176.91 178.22 2gds h ALA 195 N 1.69 1.04 0.19 6.32 0.00 -1.33 0.72 119.26 127.89 2gds h ALA 195 Ca 0.29 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.85 2gds h ALA 195 Cb 0.63 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.43 2gds h ALA 195 CO -0.08 0.03 -1.55 0.00 0.00 0.00 0.00 179.25 177.65 2gds n LYS 197 N -3.60 0.26 0.00 0.00 4.76 -1.02 -5.01 118.16 113.55 2gds n LYS 197 Ca -0.18 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 2gds n LYS 197 Cb 1.07 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.77 2gds n LYS 197 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20