#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 2.57 0.04 2.13 3.76 -1.26 -5.15 115.29 117.38 2gds s HIS 2 Ca 0.00 -0.25 -0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2gds s HIS 2 Cb 0.00 -1.24 -0.03 0.00 1.11 0.00 0.00 32.58 32.42 2gds s HIS 2 CO 0.00 0.53 -0.03 -1.54 -0.85 0.00 0.00 174.74 172.85 2gds s SER 3 N -2.93 0.39 -0.39 1.40 1.04 -1.26 -4.98 113.70 106.98 2gds s SER 3 Ca 0.25 -0.75 -0.29 0.00 0.48 0.00 0.00 55.95 55.64 2gds s SER 3 Cb -0.08 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.20 2gds s SER 3 CO 0.15 -0.44 1.17 -0.22 0.98 0.00 0.00 173.24 174.87 2gds s LEU 4 N -2.19 3.78 0.53 2.42 2.96 -1.26 -5.01 118.68 119.91 2gds s LEU 4 Ca -0.04 0.83 -0.18 0.00 -0.22 0.00 0.00 54.13 54.52 2gds s LEU 4 Cb -0.01 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 2gds s LEU 4 CO -0.05 -1.11 1.03 -2.16 -1.32 0.00 0.00 176.35 172.74 2gds s PRO 5 N 4.17 3.66 0.69 0.98 0.04 -1.26 -5.04 135.00 138.24 2gds s PRO 5 Ca 0.50 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 2gds s PRO 5 Cb -0.11 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2gds s PRO 5 CO 0.25 -0.53 1.06 -0.51 0.04 0.00 0.00 177.00 177.30 2gds s ASP 6 N -2.52 5.53 0.09 6.66 -0.00 -1.26 -5.05 116.67 120.13 2gds s ASP 6 Ca 0.64 1.48 -0.21 0.00 -0.00 0.00 0.00 52.55 54.46 2gds s ASP 6 Cb -0.15 -2.38 -0.07 0.00 -0.00 0.00 0.00 42.92 40.32 2gds s ASP 6 CO 0.28 -1.33 0.62 -0.76 -0.00 0.00 0.00 175.17 173.99 2gds s LEU 7 N -5.45 4.54 0.00 1.23 1.02 -1.26 -4.95 118.68 113.81 2gds s LEU 7 Ca 0.57 1.36 0.00 0.00 0.02 0.00 0.00 54.13 56.08 2gds s LEU 7 Cb -0.13 -3.00 0.00 0.00 0.02 0.00 0.00 46.19 43.08 2gds s LEU 7 CO 0.54 0.25 0.68 -0.81 0.02 0.00 0.00 176.35 177.03 2gds n PRO 8 N 1.74 0.86 -3.54 1.29 -0.04 -1.26 -4.73 135.00 129.33 2gds n PRO 8 Ca -0.09 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.30 2gds n PRO 8 Cb 0.50 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.33 -0.27 0.77 0.54 1.13 -1.26 -4.99 117.35 112.95 2gds s TYR 9 Ca 0.00 0.17 -0.11 0.00 -1.41 0.00 0.00 57.07 55.72 2gds s TYR 9 Cb 0.00 0.53 0.06 0.00 -1.10 0.00 0.00 41.96 41.45 2gds s TYR 9 CO 0.00 -0.41 1.14 0.16 -2.51 0.00 0.00 175.55 173.92 2gds s ASP 10 N -2.35 4.73 0.44 -0.18 3.84 -1.26 -4.95 116.67 116.95 2gds s ASP 10 Ca 0.06 0.80 0.26 0.00 -0.00 0.00 0.00 52.55 53.67 2gds s ASP 10 Cb -0.01 -1.38 1.29 0.00 -1.38 0.00 0.00 42.92 41.44 2gds s ASP 10 CO -0.07 -1.75 1.74 1.88 -0.00 0.00 0.00 175.17 176.96 2gds h TYR 11 N -0.91 0.47 -0.43 2.11 0.05 -1.95 -1.66 116.97 114.64 2gds h TYR 11 Ca -0.46 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.27 2gds h TYR 11 Cb 1.31 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.88 2gds h TYR 11 CO 0.35 -0.02 0.05 0.41 -1.05 0.00 0.00 178.16 177.91 2gds n GLY 12 N -1.56 3.87 0.22 3.88 0.00 -1.26 -3.77 105.19 106.57 2gds n GLY 12 Ca 0.29 -1.04 0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 2.30 1.00 -0.68 4.61 0.00 -1.64 -3.19 119.26 121.66 2gds h ALA 13 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2gds h ALA 13 Cb 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2gds h ALA 13 CO 0.41 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2gds n LEU 14 N -2.86 4.57 -4.77 0.00 4.77 -1.26 -4.57 117.00 112.89 2gds n LEU 14 Ca 0.02 -2.30 -0.38 0.00 -0.03 0.00 0.00 56.01 53.32 2gds n LEU 14 Cb 0.36 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 2gds n LEU 14 CO 0.28 0.86 0.87 -1.61 -1.33 0.00 0.00 177.39 176.46 2gds s GLU 15 N -1.62 3.95 0.00 3.23 0.41 -1.21 -0.89 118.70 122.57 2gds s GLU 15 Ca 0.51 1.90 0.23 0.00 -0.41 0.00 0.00 54.97 57.21 2gds s GLU 15 Cb 0.31 -2.63 0.84 0.00 -1.78 0.00 0.00 34.13 30.88 2gds s GLU 15 CO 0.27 -0.43 1.61 -0.35 -0.49 0.00 0.00 175.26 175.87 2gds n PRO 16 N -0.06 1.73 -0.05 0.39 -0.04 -1.26 -4.90 135.00 130.81 2gds n PRO 16 Ca 0.05 -1.08 -0.10 0.00 -0.04 0.00 0.00 63.50 62.33 2gds n PRO 16 Cb 0.46 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 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 2.32 0.27 -3.26 0.54 3.86 -1.36 -3.40 115.15 114.12 2gds h HIS 17 Ca 0.00 -0.01 -0.49 0.00 -1.16 0.00 0.00 60.37 58.71 2gds h HIS 17 Cb 0.50 -0.09 -0.38 0.00 1.06 0.00 0.00 27.41 28.50 2gds h HIS 17 CO 0.07 0.24 -0.78 0.42 0.86 0.00 0.00 177.93 178.75 2gds s ILE 18 N -5.90 0.65 0.66 2.45 1.01 -0.58 -4.80 121.20 114.69 2gds s ILE 18 Ca -0.13 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 2gds s ILE 18 Cb 0.08 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.68 2gds s ILE 18 CO 0.70 0.14 1.12 0.54 0.00 0.00 0.00 174.94 177.43 2gds s ASN 19 N 1.84 5.03 0.32 3.58 2.20 -1.26 -3.60 114.94 123.05 2gds s ASN 19 Ca 0.03 2.03 0.05 0.00 -0.94 0.00 0.00 52.86 54.03 2gds s ASN 19 Cb -0.14 -2.55 0.68 0.00 -2.00 0.00 0.00 41.25 37.24 2gds s ASN 19 CO -0.07 -1.69 1.86 0.00 -2.94 0.00 0.00 177.10 174.27 2gds h ALA 20 N 0.01 1.67 -0.61 3.54 0.00 -1.89 -1.77 119.26 120.21 2gds h ALA 20 Ca -0.47 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2gds h ALA 20 Cb 1.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2gds h ALA 20 CO 0.54 0.10 0.14 0.37 0.00 0.00 0.00 179.25 180.39 2gds h GLN 21 N 0.85 0.96 0.52 0.00 4.15 -1.92 0.15 115.11 119.82 2gds h GLN 21 Ca 0.46 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 2gds h GLN 21 Cb 0.57 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 28.13 2gds h GLN 21 CO -0.23 0.86 -0.25 0.82 -1.93 0.00 0.00 178.83 178.10 2gds h ILE 22 N 0.92 0.41 -0.59 2.39 2.04 -1.75 -1.09 117.51 119.84 2gds h ILE 22 Ca 0.19 -0.32 0.11 0.00 1.00 0.00 0.00 64.86 65.85 2gds h ILE 22 Cb 0.34 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 2gds h ILE 22 CO 0.00 0.05 0.12 0.24 0.00 0.00 0.00 178.15 178.55 2gds h MET 23 N -0.92 0.24 0.17 2.37 2.86 -1.18 0.42 114.93 118.89 2gds h MET 23 Ca -0.07 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2gds h MET 23 Cb 0.61 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2gds h MET 23 CO 0.12 0.16 -0.08 0.37 1.06 0.00 0.00 176.91 178.53 2gds h GLN 24 N 0.25 -0.22 -0.27 1.72 4.15 -0.67 -1.97 115.11 118.09 2gds h GLN 24 Ca 0.31 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.64 2gds h GLN 24 Cb 0.46 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2gds h GLN 24 CO -0.40 -0.00 -0.26 -0.07 -1.93 0.00 0.00 178.83 176.16 2gds h LEU 25 N -0.42 0.54 -0.06 -2.39 3.38 -1.01 -0.99 115.31 114.38 2gds h LEU 25 Ca -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2gds h LEU 25 Cb 0.32 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2gds h LEU 25 CO 0.04 0.79 0.01 -0.74 0.09 0.00 0.00 178.44 178.63 2gds h HIS 26 N 0.47 0.10 0.20 1.13 2.76 -0.91 -0.70 115.15 118.21 2gds h HIS 26 Ca 0.07 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2gds h HIS 26 Cb 0.70 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.64 2gds h HIS 26 CO 0.03 0.33 -0.10 1.25 -1.30 0.00 0.00 177.93 178.14 2gds h HIS 27 N -0.16 -0.26 0.00 5.26 -0.00 -1.35 -1.30 115.15 117.34 2gds h HIS 27 Ca 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 2gds h HIS 27 Cb 0.29 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.78 2gds h HIS 27 CO 0.02 0.05 -0.07 0.66 -0.00 0.00 0.00 177.93 178.60 2gds h SER 28 N -0.99 0.00 0.00 3.26 4.64 -1.31 -2.91 113.55 116.25 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 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2gds h SER 28 CO 0.05 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 2gds n LYS 29 N -3.20 0.00 0.18 4.77 4.01 -0.29 -4.51 118.16 119.12 2gds n LYS 29 Ca 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.66 2gds n LYS 29 Cb 0.34 -0.23 -0.07 0.00 -0.51 0.00 0.00 35.03 34.56 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 0.00 -0.69 -0.57 4.39 2.35 -1.34 -0.41 115.58 119.31 2gds h ASN 30 Ca 0.00 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2gds h ASN 30 Cb 0.00 0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 2gds h ASN 30 CO 0.00 -0.38 0.28 -0.74 -1.65 0.00 0.00 177.43 174.95 2gds h HIS 31 N -0.55 0.81 -0.21 1.19 2.76 -1.30 -1.93 115.15 115.91 2gds h HIS 31 Ca -0.01 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 2gds h HIS 31 Cb 0.51 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2gds h HIS 31 CO -0.17 0.61 -0.03 0.00 -1.30 0.00 0.00 177.93 177.04 2gds h ALA 32 N 1.12 1.56 -0.17 5.26 0.00 -1.38 -1.63 119.26 124.03 2gds h ALA 32 Ca 0.20 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2gds h ALA 32 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2gds h ALA 32 CO -0.03 0.32 -0.49 0.00 0.00 0.00 0.00 179.25 179.06 2gds h ALA 33 N 1.67 0.85 -0.19 0.00 0.00 -0.55 -3.01 119.26 118.04 2gds h ALA 33 Ca 0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2gds h ALA 33 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2gds h ALA 33 CO 0.01 0.66 -0.07 1.88 0.00 0.00 0.00 179.25 181.73 2gds h TYR 34 N 0.35 0.44 -0.74 0.00 0.05 -0.57 -2.75 116.97 113.75 2gds h TYR 34 Ca 0.02 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 58.64 2gds h TYR 34 Cb 0.98 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 2gds h TYR 34 CO 0.03 0.66 0.24 -0.39 -1.05 0.00 0.00 178.16 177.65 2gds h VAL 35 N 0.09 1.26 0.07 -2.88 -1.51 -1.37 -1.12 116.25 110.78 2gds h VAL 35 Ca 0.05 -0.89 -0.00 0.00 -1.23 0.00 0.00 66.70 64.63 2gds h VAL 35 Cb 0.53 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 2gds h VAL 35 CO 0.02 0.35 -0.03 -1.13 -1.23 0.00 0.00 177.57 175.55 2gds h ASN 36 N 1.09 -0.08 0.12 4.19 -0.00 -1.57 -2.22 115.58 117.10 2gds h ASN 36 Ca 0.24 -0.41 -0.01 0.00 -0.00 0.00 0.00 56.30 56.12 2gds h ASN 36 Cb 0.29 0.02 -0.00 0.00 -0.00 0.00 0.00 38.32 38.63 2gds h ASN 36 CO -0.01 0.39 -0.06 0.78 -0.00 0.00 0.00 177.43 178.52 2gds h ASN 37 N -0.56 0.00 -0.15 1.15 -0.26 -1.50 -1.19 115.58 113.07 2gds h ASN 37 Ca -0.01 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 2gds h ASN 37 Cb 0.48 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 2gds h ASN 37 CO 0.02 0.06 -0.10 0.25 -1.06 0.00 0.00 177.43 176.60 2gds h LEU 38 N 0.00 0.35 -0.66 1.61 5.85 -1.10 -0.49 115.31 120.87 2gds h LEU 38 Ca -0.00 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2gds h LEU 38 Cb 0.14 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2gds h LEU 38 CO 0.01 0.72 0.33 0.78 -0.34 0.00 0.00 178.44 179.93 2gds h ASN 39 N -0.02 0.86 -0.55 1.25 2.35 -0.80 -0.28 115.58 118.39 2gds h ASN 39 Ca 0.03 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 2gds h ASN 39 Cb 0.60 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2gds h ASN 39 CO 0.03 0.74 0.04 0.58 -1.65 0.00 0.00 177.43 177.17 2gds h VAL 40 N 0.92 1.26 -0.64 2.81 2.07 -1.19 -1.55 116.25 119.93 2gds h VAL 40 Ca 0.23 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 2gds h VAL 40 Cb 0.10 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2gds h VAL 40 CO -0.03 0.37 0.11 0.74 0.02 0.00 0.00 177.57 178.79 2gds h THR 41 N 0.82 1.26 -0.28 2.57 2.02 -0.73 0.18 112.91 118.76 2gds h THR 41 Ca 0.16 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 2gds h THR 41 Cb 0.48 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2gds h THR 41 CO 0.02 0.37 0.03 -0.33 0.37 0.00 0.00 175.52 175.99 2gds h GLU 42 N 0.97 0.47 -0.50 6.66 5.08 -0.93 0.28 114.58 126.60 2gds h GLU 42 Ca 0.20 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2gds h GLU 42 Cb 0.42 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2gds h GLU 42 CO 0.01 0.59 0.15 0.93 -1.00 0.00 0.00 179.01 179.69 2gds h GLU 43 N 0.27 0.74 -0.06 2.33 5.08 -1.13 0.98 114.58 122.80 2gds h GLU 43 Ca 0.08 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2gds h GLU 43 Cb 0.36 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2gds h GLU 43 CO 0.01 0.65 -0.51 0.87 -1.00 0.00 0.00 179.01 179.04 2gds h LYS 44 N 0.73 0.17 -0.09 2.33 1.57 -0.68 -2.80 116.57 117.80 2gds h LYS 44 Ca 0.17 -0.10 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 2gds h LYS 44 Cb 0.23 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2gds h LYS 44 CO -0.01 0.64 -0.77 -0.92 -0.57 0.00 0.00 179.45 177.82 2gds h TYR 45 N 0.13 0.68 -0.82 -1.35 5.03 0.65 -2.80 116.97 118.50 2gds h TYR 45 Ca 0.00 -0.31 -0.04 0.00 2.58 0.00 0.00 58.73 60.97 2gds h TYR 45 Cb 0.94 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 39.08 2gds h TYR 45 CO 0.01 1.09 0.38 0.37 -1.32 0.00 0.00 178.16 178.69 2gds h GLN 46 N 0.33 1.20 -0.60 1.82 5.75 -0.72 0.34 115.11 123.24 2gds h GLN 46 Ca -0.04 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.22 2gds h GLN 46 Cb 1.36 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 2gds h GLN 46 CO 0.14 0.94 0.18 1.49 -2.65 0.00 0.00 178.83 178.93 2gds h GLU 47 N 1.18 0.93 0.02 1.69 4.81 -1.46 -1.44 114.58 120.32 2gds h GLU 47 Ca 0.28 -0.20 -0.21 0.00 -0.13 0.00 0.00 59.36 59.10 2gds h GLU 47 Cb 0.15 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2gds h GLU 47 CO -0.03 0.83 -0.95 0.00 -0.73 0.00 0.00 179.01 178.13 2gds h ALA 48 N 1.05 0.43 0.00 2.92 0.00 -1.31 -2.92 119.26 119.43 2gds h ALA 48 Ca 0.19 -0.77 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2gds h ALA 48 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2gds h ALA 48 CO -0.00 0.96 -0.28 1.25 0.00 0.00 0.00 179.25 181.17 2gds h LEU 49 N 0.09 0.00 0.00 0.00 5.85 -0.83 -0.17 115.31 120.26 2gds h LEU 49 Ca -0.05 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2gds h LEU 49 Cb 1.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 2gds h LEU 49 CO 0.14 0.28 -0.32 0.00 -0.34 0.00 0.00 178.44 178.21 2gds h ALA 50 N 1.72 0.84 -0.23 1.25 0.00 -1.18 -3.24 119.26 118.42 2gds h ALA 50 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2gds h ALA 50 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2gds h ALA 50 CO 0.04 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.09 2gds n LYS 51 N -3.05 1.89 -3.47 0.00 5.02 -1.02 -4.98 118.16 112.53 2gds n LYS 51 Ca 0.02 -1.79 -0.24 0.00 -2.02 0.00 0.00 58.31 54.28 2gds n LYS 51 Cb 0.59 -1.33 0.07 0.00 -0.02 0.00 0.00 35.03 34.34 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 0.88 -0.54 3.40 0.72 0.00 -0.52 -4.93 105.19 104.19 2gds n GLY 52 Ca 0.12 0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.18 6.75 0.24 1.61 3.68 -0.19 -4.86 116.67 120.73 2gds s ASP 53 Ca 0.53 -2.46 -0.06 0.00 2.13 0.00 0.00 52.55 52.69 2gds s ASP 53 Cb -0.23 -2.31 0.26 0.00 -1.45 0.00 0.00 42.92 39.18 2gds s ASP 53 CO 0.65 -0.80 1.86 0.58 0.13 0.00 0.00 175.17 177.59 2gds h VAL 54 N 5.21 1.25 -0.86 1.11 2.07 -1.92 -0.87 116.25 122.24 2gds h VAL 54 Ca 0.15 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2gds h VAL 54 Cb 1.01 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2gds h VAL 54 CO 0.97 0.29 0.52 0.74 0.02 0.00 0.00 177.57 180.11 2gds h THR 55 N 1.18 1.24 -0.28 2.57 2.02 -1.98 -0.85 112.91 116.82 2gds h THR 55 Ca 0.29 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 2gds h THR 55 Cb 0.06 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2gds h THR 55 CO -0.04 0.25 -0.21 0.00 0.37 0.00 0.00 175.52 175.89 2gds h ALA 56 N 1.28 0.40 -0.49 6.16 0.00 -1.84 -0.77 119.26 124.00 2gds h ALA 56 Ca 0.31 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2gds h ALA 56 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2gds h ALA 56 CO -0.06 0.34 0.32 1.96 0.00 0.00 0.00 179.25 181.82 2gds h GLN 57 N 0.36 0.51 0.11 0.00 4.20 -0.75 -2.32 115.11 117.23 2gds h GLN 57 Ca 0.05 -0.03 -0.28 0.00 0.06 0.00 0.00 58.65 58.45 2gds h GLN 57 Cb 0.75 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 2gds h GLN 57 CO 0.05 0.34 -1.30 0.82 -0.67 0.00 0.00 178.83 178.07 2gds h ILE 58 N 0.53 1.42 0.00 2.54 2.04 -0.98 -3.14 117.51 119.92 2gds h ILE 58 Ca 0.20 -3.03 0.00 0.00 1.00 0.00 0.00 64.86 63.03 2gds h ILE 58 Cb 0.13 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2gds h ILE 58 CO -0.05 0.87 0.00 0.00 0.00 0.00 0.00 178.15 178.97 2gds n ALA 59 N -2.55 2.51 0.37 1.87 0.00 -0.31 -2.52 120.51 119.88 2gds n ALA 59 Ca -0.10 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.24 2gds n ALA 59 Cb 1.02 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.02 0.37 -0.05 0.00 4.32 -0.91 -4.69 117.00 115.03 2gds n LEU 60 Ca 0.20 -0.29 -0.08 0.00 -0.02 0.00 0.00 56.01 55.82 2gds n LEU 60 Cb 0.10 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.88 2gds n LEU 60 CO 0.16 0.09 0.86 1.56 -1.22 0.00 0.00 177.39 178.84 2gds h GLN 61 N 0.00 0.07 -0.97 3.23 4.20 -1.44 -2.05 115.11 118.15 2gds h GLN 61 Ca 0.00 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 2gds h GLN 61 Cb 0.46 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 2gds h GLN 61 CO 0.00 0.04 0.63 -1.00 -0.67 0.00 0.00 178.83 177.83 2gds h PRO 62 N 0.07 1.10 -0.18 1.46 0.13 -1.84 -0.38 132.00 132.36 2gds h PRO 62 Ca 0.10 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.07 2gds h PRO 62 Cb 0.13 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.00 2gds h PRO 62 CO -0.18 0.73 -0.30 0.00 -0.23 0.00 0.00 178.00 178.02 2gds h ALA 63 N 1.47 1.15 -0.08 -0.56 0.00 -1.82 -1.03 119.26 118.40 2gds h ALA 63 Ca 0.41 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2gds h ALA 63 Cb 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2gds h ALA 63 CO -0.16 0.54 -0.46 1.25 0.00 0.00 0.00 179.25 180.42 2gds h LEU 64 N 0.31 0.55 -0.30 0.00 5.85 -0.57 -1.69 115.31 119.45 2gds h LEU 64 Ca 0.04 -0.66 -0.11 0.00 0.84 0.00 0.00 57.88 57.99 2gds h LEU 64 Cb 0.69 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2gds h LEU 64 CO 0.05 1.12 -0.24 0.50 -0.34 0.00 0.00 178.44 179.53 2gds h LYS 65 N 0.01 0.69 0.56 1.25 3.64 -1.08 0.16 116.57 121.80 2gds h LYS 65 Ca -0.04 -0.34 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 2gds h LYS 65 Cb 1.12 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2gds h LYS 65 CO 0.10 0.95 -0.27 0.35 -2.27 0.00 0.00 179.45 178.31 2gds h PHE 66 N 0.44 -0.70 -0.01 1.91 3.04 -1.26 0.38 116.94 120.75 2gds h PHE 66 Ca 0.05 -0.02 -0.23 0.00 3.98 0.00 0.00 57.97 61.76 2gds h PHE 66 Cb 0.80 0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.54 2gds h PHE 66 CO 0.07 -0.37 -0.93 -0.91 -2.02 0.00 0.00 178.31 174.15 2gds h ASN 67 N -0.93 0.56 -0.20 0.41 4.21 -1.41 0.01 115.58 118.23 2gds h ASN 67 Ca -0.08 -0.44 -0.09 0.00 1.21 0.00 0.00 56.30 56.90 2gds h ASN 67 Cb 0.63 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.66 2gds h ASN 67 CO 0.13 1.24 -0.22 1.23 -1.29 0.00 0.00 177.43 178.51 2gds h GLY 68 N 1.17 0.55 1.49 2.83 0.00 -0.74 -1.64 103.07 106.73 2gds h GLY 68 Ca -0.08 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 2gds h GLY 68 CO 0.16 0.52 -0.39 -1.33 0.00 0.00 0.00 176.54 175.50 2gds h GLY 69 N 0.18 0.61 0.99 4.60 0.00 -0.30 -1.43 103.07 107.72 2gds h GLY 69 Ca 0.03 -0.60 0.04 0.00 0.00 0.00 0.00 47.33 46.80 2gds h GLY 69 CO 0.05 0.54 0.59 -1.33 0.00 0.00 0.00 176.54 176.39 2gds h GLY 70 N 1.05 1.29 0.78 4.60 0.00 -0.86 0.23 103.07 110.17 2gds h GLY 70 Ca 0.04 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2gds h GLY 70 CO 0.08 0.38 -0.24 0.84 0.00 0.00 0.00 176.54 177.60 2gds h HIS 71 N 1.11 0.53 -0.29 5.60 6.17 -0.93 -2.66 115.15 124.69 2gds h HIS 71 Ca 0.36 -0.18 -0.02 0.00 0.71 0.00 0.00 60.37 61.24 2gds h HIS 71 Cb 0.03 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 29.85 2gds h HIS 71 CO -0.00 0.86 0.11 0.82 0.71 0.00 0.00 177.93 180.43 2gds h ILE 72 N 0.05 1.18 0.49 6.26 2.04 -0.82 -2.62 117.51 124.10 2gds h ILE 72 Ca 0.01 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2gds h ILE 72 Cb 0.81 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 2gds h ILE 72 CO 0.05 0.19 -0.45 0.78 0.00 0.00 0.00 178.15 178.73 2gds h ASN 73 N 0.31 -1.20 -0.36 1.72 2.35 -0.60 -2.98 115.58 114.82 2gds h ASN 73 Ca 0.09 0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 2gds h ASN 73 Cb 0.20 0.39 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 2gds h ASN 73 CO -0.01 -0.62 -0.02 0.45 -1.65 0.00 0.00 177.43 175.59 2gds h HIS 74 N -0.93 0.80 -0.78 1.19 3.86 -1.54 -1.40 115.15 116.34 2gds h HIS 74 Ca -0.05 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 2gds h HIS 74 Cb 0.81 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 2gds h HIS 74 CO -0.21 0.75 0.52 0.77 0.86 0.00 0.00 177.93 180.62 2gds h SER 75 N 0.70 0.89 -0.12 2.45 0.02 -1.48 -0.49 113.55 115.52 2gds h SER 75 Ca 0.14 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.92 2gds h SER 75 Cb 0.45 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2gds h SER 75 CO 0.02 0.64 -0.50 0.40 -1.14 0.00 0.00 176.83 176.24 2gds h ILE 76 N 1.04 1.36 -0.18 3.27 2.04 -1.33 -3.25 117.51 120.46 2gds h ILE 76 Ca 0.29 -1.81 0.05 0.00 1.00 0.00 0.00 64.86 64.39 2gds h ILE 76 Cb -0.10 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2gds h ILE 76 CO -0.07 0.55 -0.15 0.15 0.00 0.00 0.00 178.15 178.63 2gds h PHE 77 N 0.16 -0.37 -0.48 1.37 3.57 -0.58 -1.00 116.94 119.61 2gds h PHE 77 Ca -0.03 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.59 2gds h PHE 77 Cb 1.14 0.19 -0.10 0.00 2.79 0.00 0.00 35.95 39.98 2gds h PHE 77 CO 0.11 -0.22 -0.19 -1.49 -2.23 0.00 0.00 178.31 174.29 2gds h TRP 78 N -0.16 -0.47 -0.16 0.41 -0.00 -1.18 -0.07 115.95 114.33 2gds h TRP 78 Ca 0.11 0.05 -0.07 0.00 -0.00 0.00 0.00 58.89 58.98 2gds h TRP 78 Cb 0.32 0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.75 2gds h TRP 78 CO -0.29 -0.28 -0.21 1.79 -0.00 0.00 0.00 178.44 179.45 2gds h THR 79 N -0.08 1.23 0.00 1.49 1.35 -1.50 -2.59 112.91 112.79 2gds h THR 79 Ca 0.23 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2gds h THR 79 Cb 0.44 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2gds h THR 79 CO -0.54 0.32 0.00 0.78 -0.25 0.00 0.00 175.52 175.83 2gds h ASN 80 N 0.25 0.00 -2.29 5.36 -0.26 0.35 -3.43 115.58 115.56 2gds h ASN 80 Ca 0.04 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.28 2gds h ASN 80 Cb 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.74 2gds h ASN 80 CO 0.04 0.00 -0.51 -0.76 -1.06 0.00 0.00 177.43 175.13 2gds s LEU 81 N -5.03 3.93 -0.18 1.61 1.43 -0.98 0.11 118.68 119.57 2gds s LEU 81 Ca 0.01 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 2gds s LEU 81 Cb 0.09 -2.48 0.13 0.00 0.03 0.00 0.00 46.19 43.96 2gds s LEU 81 CO 0.38 -0.02 1.03 -0.55 0.23 0.00 0.00 176.35 177.42 2gds s SER 82 N -3.72 -0.35 0.03 2.29 0.15 0.18 -4.53 113.70 107.74 2gds s SER 82 Ca 0.33 0.42 0.24 0.00 0.70 0.00 0.00 55.95 57.64 2gds s SER 82 Cb -0.09 0.34 0.98 0.00 -1.71 0.00 0.00 66.02 65.55 2gds s SER 82 CO 0.26 -0.30 1.75 -0.81 1.20 0.00 0.00 173.24 175.33 2gds n PRO 83 N 0.87 0.03 -0.31 5.44 -0.04 -1.26 -2.52 135.00 137.21 2gds n PRO 83 Ca -0.10 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 2gds n PRO 83 Cb 0.58 -1.54 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.59 3.48 -2.61 3.54 3.02 -1.26 -5.02 115.26 114.83 2gds n ASN 84 Ca 0.05 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 2gds n ASN 84 Cb 0.28 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2gds n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gds n GLY 85 N 0.49 -0.40 0.89 7.41 0.00 -1.05 -5.00 105.19 107.54 2gds n GLY 85 Ca 0.17 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.99 7.00 -0.02 0.00 -0.67 -4.66 105.19 108.85 2gds n GLY 86 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.34 0.48 3.06 -0.02 0.00 -1.26 -4.84 105.19 102.27 2gds n GLY 87 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 0.99 1.61 2.02 -1.26 -5.03 118.70 117.48 2gds s GLU 88 Ca 0.00 -0.56 -0.12 0.00 0.02 0.00 0.00 54.97 54.31 2gds s GLU 88 Cb 0.00 0.17 0.18 0.00 0.10 0.00 0.00 34.13 34.59 2gds s GLU 88 CO 0.00 -0.10 1.10 -1.25 0.02 0.00 0.00 175.26 175.04 2gds s PRO 89 N -1.68 0.51 0.27 0.39 0.04 -1.26 -5.04 135.00 128.22 2gds s PRO 89 Ca -0.13 0.43 0.02 0.00 0.04 0.00 0.00 61.00 61.37 2gds s PRO 89 Cb -0.07 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2gds s PRO 89 CO -0.01 -2.66 0.06 0.15 0.04 0.00 0.00 177.00 174.58 2gds s LYS 90 N -5.04 1.45 3.17 4.56 1.02 -1.26 -4.64 119.74 119.00 2gds s LYS 90 Ca 0.65 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.87 2gds s LYS 90 Cb -0.18 -0.51 0.00 0.00 -0.52 0.00 0.00 37.83 36.63 2gds s LYS 90 CO 0.57 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 2gds n GLY 91 N -0.50 0.01 0.22 -3.33 0.00 -1.26 -3.61 105.19 96.72 2gds n GLY 91 Ca -0.02 -0.96 0.16 0.00 0.00 0.00 0.00 46.02 45.20 2gds n GLY 91 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2gds h GLU 92 N 0.00 0.00 -0.28 1.61 4.11 -1.98 -2.21 114.58 115.83 2gds h GLU 92 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 2gds h GLU 92 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2gds h GLU 92 CO 0.00 0.00 -0.21 1.25 0.07 0.00 0.00 179.01 180.12 2gds h LEU 93 N 0.00 0.66 -0.82 3.06 6.46 -1.96 -0.39 115.31 122.33 2gds h LEU 93 Ca 0.00 -0.45 -0.07 0.00 -0.12 0.00 0.00 57.88 57.24 2gds h LEU 93 Cb 0.20 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 2gds h LEU 93 CO 0.00 0.96 0.09 0.25 -0.62 0.00 0.00 178.44 179.12 2gds h LEU 94 N 0.36 0.93 -0.66 2.25 5.85 -1.53 -2.01 115.31 120.49 2gds h LEU 94 Ca 0.05 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 2gds h LEU 94 Cb 0.75 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2gds h LEU 94 CO 0.05 0.94 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.58 2gds h GLU 95 N 0.91 0.84 0.00 1.25 4.39 -1.35 -1.41 114.58 119.22 2gds h GLU 95 Ca 0.18 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 2gds h GLU 95 Cb 0.42 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2gds h GLU 95 CO 0.01 0.96 -0.37 0.00 -1.16 0.00 0.00 179.01 178.45 2gds h ALA 96 N 1.04 1.17 -0.10 3.43 0.00 -0.86 0.17 119.26 124.10 2gds h ALA 96 Ca 0.11 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 2gds h ALA 96 Cb 0.71 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2gds h ALA 96 CO 0.05 0.46 -0.61 0.82 0.00 0.00 0.00 179.25 179.97 2gds h ILE 97 N 0.00 1.34 -0.19 0.00 2.04 -1.07 -1.65 117.51 117.98 2gds h ILE 97 Ca -0.00 -1.91 -0.03 0.00 1.00 0.00 0.00 64.86 63.92 2gds h ILE 97 Cb 0.76 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 2gds h ILE 97 CO 0.05 0.58 -0.01 0.11 0.00 0.00 0.00 178.15 178.88 2gds h LYS 98 N 0.23 0.34 -0.06 2.37 1.57 -0.97 0.13 116.57 120.18 2gds h LYS 98 Ca -0.05 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2gds h LYS 98 Cb 1.26 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 2gds h LYS 98 CO 0.13 0.56 0.04 -0.09 -0.57 0.00 0.00 179.45 179.51 2gds h ARG 99 N 0.10 0.09 0.01 3.15 2.43 -1.05 0.52 114.38 119.63 2gds h ARG 99 Ca 0.05 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 2gds h ARG 99 Cb 0.40 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2gds h ARG 99 CO 0.01 0.12 -0.91 -0.44 -1.51 0.00 0.00 179.97 177.24 2gds h ASP 100 N 0.03 0.17 0.00 -3.80 3.32 -1.28 -3.37 116.42 111.50 2gds h ASP 100 Ca 0.02 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2gds h ASP 100 Cb 0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gds h ASP 100 CO -0.00 0.98 0.00 0.49 -1.72 0.00 0.00 179.24 178.99 2gds n PHE 101 N -3.59 0.00 0.00 4.55 3.01 0.43 -5.04 117.46 116.83 2gds n PHE 101 Ca -0.03 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.30 2gds n PHE 101 Cb 0.84 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.29 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 -0.13 2.45 3.85 1.37 0.00 0.18 -4.37 105.19 108.55 2gds n GLY 102 Ca 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.24 0.19 1.61 1.04 -1.25 -4.66 113.70 110.38 2gds s SER 103 Ca 0.00 -0.61 -0.10 0.00 0.48 0.00 0.00 55.95 55.73 2gds s SER 103 Cb 0.00 0.71 0.11 0.00 0.10 0.00 0.00 66.02 66.94 2gds s SER 103 CO 0.00 -1.32 1.74 0.15 0.98 0.00 0.00 173.24 174.79 2gds h PHE 104 N 2.00 1.09 -0.43 5.02 3.57 -1.91 -0.09 116.94 126.19 2gds h PHE 104 Ca -0.20 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.09 2gds h PHE 104 Cb 1.25 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2gds h PHE 104 CO 0.45 0.86 -0.17 -0.44 -2.23 0.00 0.00 178.31 176.79 2gds h ASP 105 N 1.01 0.83 -0.54 0.41 5.19 -1.96 0.16 116.42 121.51 2gds h ASP 105 Ca 0.23 -0.28 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 2gds h ASP 105 Cb 0.27 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 2gds h ASP 105 CO -0.01 1.00 0.07 0.11 -3.12 0.00 0.00 179.24 177.28 2gds h LYS 106 N 0.73 0.91 -0.72 3.56 1.57 -1.77 -1.90 116.57 118.97 2gds h LYS 106 Ca 0.11 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2gds h LYS 106 Cb 0.69 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2gds h LYS 106 CO 0.05 0.89 0.28 0.35 -0.57 0.00 0.00 179.45 180.46 2gds h PHE 107 N 0.80 1.07 0.65 -1.35 3.57 -0.60 -1.66 116.94 119.43 2gds h PHE 107 Ca 0.16 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2gds h PHE 107 Cb 0.44 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2gds h PHE 107 CO 0.03 0.82 -0.40 0.87 -2.23 0.00 0.00 178.31 177.40 2gds h LYS 108 N 1.04 -0.95 -0.58 1.11 1.57 -0.29 -1.59 116.57 116.87 2gds h LYS 108 Ca 0.24 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 59.18 2gds h LYS 108 Cb 0.20 0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 2gds h LYS 108 CO -0.02 -0.63 0.17 0.93 -0.57 0.00 0.00 179.45 179.33 2gds h GLU 109 N -0.99 0.32 -0.13 3.15 5.08 -1.22 0.38 114.58 121.17 2gds h GLU 109 Ca -0.08 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2gds h GLU 109 Cb 0.80 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2gds h GLU 109 CO 0.08 0.21 0.03 0.87 -1.00 0.00 0.00 179.01 179.21 2gds h LYS 110 N 0.33 0.09 -0.12 2.33 1.57 -1.17 0.80 116.57 120.40 2gds h LYS 110 Ca 0.30 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.93 2gds h LYS 110 Cb 0.39 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2gds h LYS 110 CO -0.34 0.06 -0.54 1.25 -0.57 0.00 0.00 179.45 179.32 2gds h LEU 111 N 0.09 0.37 -0.50 2.94 5.85 -0.80 -0.47 115.31 122.79 2gds h LEU 111 Ca 0.06 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 2gds h LEU 111 Cb 0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2gds h LEU 111 CO -0.07 0.83 -0.07 0.74 -0.34 0.00 0.00 178.44 179.54 2gds h THR 112 N 0.26 1.27 -0.54 1.05 2.02 0.14 -0.81 112.91 116.30 2gds h THR 112 Ca 0.01 -1.19 -0.05 0.00 0.77 0.00 0.00 66.41 65.94 2gds h THR 112 Cb 1.03 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 2gds h THR 112 CO 0.09 0.42 0.13 0.00 0.37 0.00 0.00 175.52 176.53 2gds h ALA 113 N 0.91 0.71 -0.18 6.16 0.00 0.84 0.91 119.26 128.61 2gds h ALA 113 Ca 0.13 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2gds h ALA 113 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2gds h ALA 113 CO 0.04 0.41 -0.33 0.00 0.00 0.00 0.00 179.25 179.37 2gds h ALA 114 N 1.01 1.11 0.01 0.00 0.00 -0.91 0.07 119.26 120.55 2gds h ALA 114 Ca 0.17 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 2gds h ALA 114 Cb 0.34 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2gds h ALA 114 CO 0.00 0.56 -0.84 0.77 0.00 0.00 0.00 179.25 179.75 2gds h SER 115 N 0.32 0.71 0.79 0.00 0.02 -0.91 -3.14 113.55 111.33 2gds h SER 115 Ca 0.04 -0.76 -0.05 0.00 -0.84 0.00 0.00 61.79 60.18 2gds h SER 115 Cb 0.73 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2gds h SER 115 CO 0.06 1.39 -0.22 0.58 -1.14 0.00 0.00 176.83 177.49 2gds h VAL 116 N 0.12 0.59 0.00 2.27 2.07 -0.75 -3.19 116.25 117.37 2gds h VAL 116 Ca -0.11 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2gds h VAL 116 Cb 1.53 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2gds h VAL 116 CO 0.16 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.58 2gds n GLY 117 N -0.03 -1.47 3.70 2.17 0.00 0.00 -4.83 105.19 104.75 2gds n GLY 117 Ca -0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2gds n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gds s VAL 118 N -3.10 3.88 -0.41 1.61 -7.23 -1.21 -4.97 120.40 108.97 2gds s VAL 118 Ca 0.10 1.31 -0.17 0.00 -1.81 0.00 0.00 61.98 61.41 2gds s VAL 118 Cb 0.13 -3.84 0.02 0.00 0.56 0.00 0.00 36.38 33.25 2gds s VAL 118 CO 0.49 0.06 0.44 -1.10 -0.31 0.00 0.00 175.10 174.68 2gds s GLN 119 N 1.56 3.16 0.10 4.82 -0.21 -1.26 -4.87 119.66 122.95 2gds s GLN 119 Ca 0.60 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 55.28 2gds s GLN 119 Cb -0.30 -3.95 0.00 0.00 1.00 0.00 0.00 33.01 29.76 2gds s GLN 119 CO 0.27 -0.82 0.00 0.41 -2.12 0.00 0.00 175.29 173.03 2gds n GLY 120 N 5.09 -0.34 3.75 3.09 0.00 -1.26 -4.95 105.19 110.56 2gds n GLY 120 Ca -0.07 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 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 7.61 -0.02 1.61 0.01 -1.26 -4.85 113.70 112.79 2gds s SER 121 Ca 0.00 1.90 -0.09 0.00 1.31 0.00 0.00 55.95 59.08 2gds s SER 121 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 2gds s SER 121 CO 0.00 0.14 0.39 0.61 0.41 0.00 0.00 173.24 174.79 2gds n GLY 122 N 1.59 0.38 2.94 3.44 0.00 -1.26 -0.07 105.19 112.22 2gds n GLY 122 Ca -0.02 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.31 0.26 -0.11 1.61 0.52 -0.13 -1.36 118.94 117.41 2gds s TRP 123 Ca 0.09 -0.18 -0.03 0.00 0.02 0.00 0.00 56.10 55.99 2gds s TRP 123 Cb -0.00 -0.17 -0.03 0.00 -1.15 0.00 0.00 33.47 32.12 2gds s TRP 123 CO -0.01 -0.05 0.01 0.20 0.02 0.00 0.00 176.95 177.13 2gds s GLY 124 N -0.50 1.86 0.05 0.98 0.00 -0.86 -0.44 107.32 108.42 2gds s GLY 124 Ca -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.92 2gds s GLY 124 CO -0.00 -0.37 -0.08 -0.98 0.00 0.00 0.00 173.10 171.67 2gds s TRP 125 N -0.49 0.74 -0.21 1.90 0.52 0.14 -1.36 118.94 120.18 2gds s TRP 125 Ca 0.09 -0.58 0.02 0.00 0.02 0.00 0.00 56.10 55.64 2gds s TRP 125 Cb -0.12 -0.44 0.03 0.00 -1.15 0.00 0.00 33.47 31.80 2gds s TRP 125 CO 0.02 -0.09 -0.17 -1.17 0.02 0.00 0.00 176.95 175.56 2gds s LEU 126 N -1.89 2.60 0.00 2.99 2.96 -0.72 -1.24 118.68 123.39 2gds s LEU 126 Ca -0.05 -0.92 0.01 0.00 -0.22 0.00 0.00 54.13 52.95 2gds s LEU 126 Cb -0.07 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 2gds s LEU 126 CO -0.01 -0.07 0.05 0.61 -1.32 0.00 0.00 176.35 175.61 2gds n GLY 127 N 4.55 3.75 3.03 7.98 0.00 -0.15 -1.45 105.19 122.90 2gds n GLY 127 Ca -0.18 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.16 1.97 -0.69 1.61 5.36 -0.63 -1.65 117.98 121.80 2gds s PHE 128 Ca 0.07 -0.99 -0.25 0.00 -0.96 0.00 0.00 56.93 54.80 2gds s PHE 128 Cb 0.00 -1.45 0.05 0.00 -0.34 0.00 0.00 43.02 41.28 2gds s PHE 128 CO 0.05 -0.53 1.12 1.21 -1.46 0.00 0.00 175.22 175.61 2gds s ASN 129 N 1.19 6.18 0.39 6.13 3.84 0.25 -2.97 114.94 129.95 2gds s ASN 129 Ca -0.02 -0.66 0.07 0.00 0.21 0.00 0.00 52.86 52.45 2gds s ASN 129 Cb -0.14 -2.49 0.79 0.00 -0.55 0.00 0.00 41.25 38.86 2gds s ASN 129 CO -0.05 -1.62 2.00 0.11 -2.79 0.00 0.00 177.10 174.76 2gds h LYS 130 N 9.77 0.51 0.50 0.43 1.57 -1.89 0.44 116.57 127.90 2gds h LYS 130 Ca -0.28 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 2gds h LYS 130 Cb 1.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2gds h LYS 130 CO 1.22 0.41 -0.24 1.49 -0.57 0.00 0.00 179.45 181.76 2gds h GLU 131 N 0.51 -0.64 -0.01 3.15 4.81 -1.96 -3.21 114.58 117.24 2gds h GLU 131 Ca 0.13 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2gds h GLU 131 Cb 0.07 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2gds h GLU 131 CO -0.02 -0.36 -0.17 0.54 -0.73 0.00 0.00 179.01 178.28 2gds n ARG 132 N -5.31 0.80 -3.30 1.92 1.74 -1.16 -4.97 116.66 106.38 2gds n ARG 132 Ca -0.11 -0.38 -0.16 0.00 -0.77 0.00 0.00 57.85 56.43 2gds n ARG 132 Cb 0.31 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.34 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 1.30 -0.29 3.76 -0.13 0.00 0.15 -5.03 105.19 104.96 2gds n GLY 133 Ca 0.14 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.33 -0.18 0.42 1.61 -3.43 -0.93 -4.99 115.29 104.47 2gds s HIS 134 Ca 0.01 -0.23 -0.22 0.00 -0.80 0.00 0.00 55.06 53.81 2gds s HIS 134 Cb -0.00 0.63 -0.10 0.00 -1.43 0.00 0.00 32.58 31.67 2gds s HIS 134 CO 0.66 -1.15 0.99 -0.51 -2.00 0.00 0.00 174.74 172.74 2gds s LEU 135 N -2.90 4.01 -0.16 5.38 1.43 -1.26 0.88 118.68 126.06 2gds s LEU 135 Ca 0.11 1.84 -0.09 0.00 -1.03 0.00 0.00 54.13 54.95 2gds s LEU 135 Cb -0.05 -4.40 0.05 0.00 0.03 0.00 0.00 46.19 41.82 2gds s LEU 135 CO 0.04 -0.46 0.38 -1.58 0.23 0.00 0.00 176.35 174.96 2gds s GLN 136 N -2.91 0.38 0.05 1.70 0.74 -0.66 -4.82 119.66 114.15 2gds s GLN 136 Ca 0.61 0.70 -0.12 0.00 0.05 0.00 0.00 55.36 56.60 2gds s GLN 136 Cb -0.15 0.01 -0.06 0.00 1.10 0.00 0.00 33.01 33.91 2gds s GLN 136 CO 0.19 -0.14 0.41 0.42 -0.55 0.00 0.00 175.29 175.63 2gds s ILE 137 N 1.13 5.05 0.11 -2.34 1.01 -1.26 -0.98 121.20 123.93 2gds s ILE 137 Ca -0.08 0.65 -0.06 0.00 0.00 0.00 0.00 60.65 61.16 2gds s ILE 137 Cb -0.07 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2gds s ILE 137 CO -0.09 0.42 0.16 0.00 0.00 0.00 0.00 174.94 175.42 2gds s ALA 138 N -1.26 0.14 0.07 9.38 0.00 -0.37 -4.98 121.76 124.75 2gds s ALA 138 Ca 0.29 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2gds s ALA 138 Cb -0.15 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2gds s ALA 138 CO 0.16 -0.53 -0.18 0.00 0.00 0.00 0.00 175.76 175.21 2gds s ALA 139 N -3.94 1.55 -0.02 0.00 0.00 -1.26 0.25 121.76 118.34 2gds s ALA 139 Ca 0.12 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2gds s ALA 139 Cb 0.05 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2gds s ALA 139 CO -0.05 0.30 -0.03 0.00 0.00 0.00 0.00 175.76 175.98 2gds s PRO 141 N 0.46 4.57 2.93 0.00 0.04 -1.26 -0.96 135.00 140.78 2gds s PRO 141 Ca -0.05 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2gds s PRO 141 Cb -0.08 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2gds s PRO 141 CO -0.01 0.13 0.00 0.09 0.04 0.00 0.00 177.00 177.25 2gds n ASN 142 N 1.06 0.00 -1.08 6.66 3.02 0.90 -0.92 115.26 124.91 2gds n ASN 142 Ca -0.01 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2gds n ASN 142 Cb 0.44 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.83 2gds n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gds n GLN 143 N 9.72 2.19 -1.95 3.52 1.13 -1.26 -4.18 117.38 126.54 2gds n GLN 143 Ca 0.00 -3.05 -0.43 0.00 -1.94 0.00 0.00 57.00 51.58 2gds n GLN 143 Cb 0.00 -1.83 -0.03 0.00 0.11 0.00 0.00 30.24 28.49 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 -2.31 6.25 0.33 1.08 -0.00 -0.10 -3.75 116.67 118.18 2gds s ASP 144 Ca 0.44 1.86 -0.28 0.00 -0.00 0.00 0.00 52.55 54.57 2gds s ASP 144 Cb 0.38 -2.53 -0.10 0.00 -0.00 0.00 0.00 42.92 40.68 2gds s ASP 144 CO 0.03 -1.33 1.21 -2.16 -0.00 0.00 0.00 175.17 172.93 2gds s PRO 145 N 4.89 4.36 0.05 8.23 0.04 -1.26 -4.71 135.00 146.61 2gds s PRO 145 Ca 0.79 2.00 -0.15 0.00 0.04 0.00 0.00 61.00 63.68 2gds s PRO 145 Cb -0.29 -3.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 2gds s PRO 145 CO 0.32 -0.10 1.25 1.25 0.04 0.00 0.00 177.00 179.76 2gds h LEU 146 N 3.32 -0.78 -0.32 -3.56 5.85 -1.92 -2.93 115.31 114.97 2gds h LEU 146 Ca -0.48 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2gds h LEU 146 Cb 1.22 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 2gds h LEU 146 CO 0.65 -0.21 0.17 -0.61 -0.34 0.00 0.00 178.44 178.10 2gds h GLN 147 N -0.25 0.45 0.00 1.25 4.15 -1.81 -0.79 115.11 118.10 2gds h GLN 147 Ca 0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2gds h GLN 147 Cb 0.30 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 2gds h GLN 147 CO -0.20 0.38 -0.05 0.78 -1.93 0.00 0.00 178.83 177.81 2gds h GLY 148 N 0.39 0.00 0.00 2.39 0.00 -1.87 -0.28 103.07 103.71 2gds h GLY 148 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2gds h GLY 148 CO -0.02 0.00 -0.38 -1.30 0.00 0.00 0.00 176.54 174.85 2gds n THR 149 N -3.32 0.00 0.00 4.70 -2.24 -1.11 -4.80 114.28 107.51 2gds n THR 149 Ca -0.02 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2gds n THR 149 Cb 0.20 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 2gds n THR 149 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2gds n THR 150 N -1.19 0.00 0.00 4.28 -1.04 -0.31 -5.04 114.28 110.98 2gds n THR 150 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2gds n THR 150 Cb 0.10 0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 2gds n THR 150 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gds n GLY 151 N 0.80 3.28 3.76 3.41 0.00 -0.12 -4.99 105.19 111.33 2gds n GLY 151 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.50 -0.23 0.99 1.43 -1.26 -4.85 118.68 119.26 2gds s LEU 152 Ca 0.00 2.45 -0.20 0.00 -1.03 0.00 0.00 54.13 55.35 2gds s LEU 152 Cb 0.00 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2gds s LEU 152 CO 0.00 -0.31 0.59 -0.63 0.23 0.00 0.00 176.35 176.23 2gds s ILE 153 N -1.15 5.03 0.26 -0.59 1.09 -1.16 -2.49 121.20 122.19 2gds s ILE 153 Ca 0.46 1.06 -0.30 0.00 -1.10 0.00 0.00 60.65 60.78 2gds s ILE 153 Cb -0.35 -3.90 -0.10 0.00 -1.06 0.00 0.00 42.46 37.05 2gds s ILE 153 CO 0.46 0.09 1.42 -2.16 -0.10 0.00 0.00 174.94 174.65 2gds s PRO 154 N 2.16 4.28 -0.00 2.79 0.04 -1.26 -1.60 135.00 141.40 2gds s PRO 154 Ca 0.25 2.28 -0.00 0.00 0.04 0.00 0.00 61.00 63.57 2gds s PRO 154 Cb -0.16 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.28 2gds s PRO 154 CO 0.09 -0.38 -0.00 1.28 0.04 0.00 0.00 177.00 178.03 2gds n LEU 155 N 2.14 0.30 -3.71 -3.56 4.77 -0.53 -4.92 117.00 111.49 2gds n LEU 155 Ca 0.06 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 2gds n LEU 155 Cb 0.41 -0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.32 2gds n LEU 155 CO 0.60 0.05 -0.36 -0.22 -1.33 0.00 0.00 177.39 176.13 2gds s LEU 156 N -5.90 0.60 0.11 2.23 2.96 -1.02 -4.45 118.68 113.21 2gds s LEU 156 Ca -0.00 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 2gds s LEU 156 Cb 0.00 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 2gds s LEU 156 CO 0.00 -0.27 -0.00 -0.83 -1.32 0.00 0.00 176.35 173.93 2gds s GLY 157 N 2.02 1.87 -0.25 7.98 0.00 -1.26 -1.76 107.32 115.92 2gds s GLY 157 Ca 0.03 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 2gds s GLY 157 CO -0.06 -1.15 0.08 -0.42 0.00 0.00 0.00 173.10 171.54 2gds s ILE 158 N -1.38 0.43 -0.13 0.90 1.01 -0.46 -4.88 121.20 116.68 2gds s ILE 158 Ca 0.26 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 2gds s ILE 158 Cb -0.11 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2gds s ILE 158 CO 0.18 -0.47 1.63 -0.62 0.00 0.00 0.00 174.94 175.66 2gds s ASP 159 N 1.87 6.53 -0.18 3.58 3.68 -1.26 -2.03 116.67 128.86 2gds s ASP 159 Ca 0.05 1.94 0.16 0.00 2.13 0.00 0.00 52.55 56.83 2gds s ASP 159 Cb -0.17 -2.53 0.50 0.00 -1.45 0.00 0.00 42.92 39.27 2gds s ASP 159 CO -0.20 -1.09 1.39 1.33 0.13 0.00 0.00 175.17 176.74 2gds n VAL 160 N 5.93 2.27 -2.30 1.11 0.24 -0.46 -4.84 118.33 120.27 2gds n VAL 160 Ca 0.18 -2.00 -0.39 0.00 -2.04 0.00 0.00 64.34 60.09 2gds n VAL 160 Cb 0.44 -0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.52 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 -2.87 3.15 0.51 6.34 0.52 -1.22 -4.42 118.94 120.95 2gds s TRP 161 Ca 0.41 1.55 0.25 0.00 0.02 0.00 0.00 56.10 58.33 2gds s TRP 161 Cb 0.34 -3.42 1.35 0.00 -1.15 0.00 0.00 33.47 30.59 2gds s TRP 161 CO 0.07 -1.28 1.97 0.93 0.02 0.00 0.00 176.95 178.66 2gds h GLU 162 N 2.94 0.07 0.00 4.98 5.08 -1.94 0.05 114.58 125.76 2gds h GLU 162 Ca -0.48 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2gds h GLU 162 Cb 1.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2gds h GLU 162 CO 0.64 0.04 0.00 -2.39 -1.00 0.00 0.00 179.01 176.30 2gds n HIS 163 N -4.38 0.00 0.83 4.33 1.44 -1.26 -0.57 115.22 115.61 2gds n HIS 163 Ca 0.12 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 2gds n HIS 163 Cb 0.64 -0.40 0.22 0.00 0.12 0.00 0.00 29.99 30.56 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 -1.40 2.46 0.00 1.59 0.00 0.00 -4.71 120.51 118.46 2gds n ALA 164 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2gds n ALA 164 Cb 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.17 0.00 -0.24 0.00 4.11 -0.93 -5.02 117.16 116.25 2gds n TYR 165 Ca 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 58.09 2gds n TYR 165 Cb 0.55 0.00 0.11 0.00 -0.00 0.00 0.00 39.34 40.00 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 -0.18 0.00 -3.48 3.20 -1.01 0.11 116.97 115.62 2gds h TYR 166 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2gds h TYR 166 Cb 0.00 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2gds h TYR 166 CO 0.00 -0.25 0.11 -0.07 -1.64 0.00 0.00 178.16 176.31 2gds h LEU 167 N 0.06 0.00 0.00 2.82 3.38 -1.89 -0.31 115.31 119.37 2gds h LEU 167 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2gds h LEU 167 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2gds h LEU 167 CO -0.66 0.00 -0.24 1.67 0.09 0.00 0.00 178.44 179.30 2gds n GLN 168 N -2.43 0.13 -0.10 1.13 7.27 -0.15 -4.80 117.38 118.43 2gds n GLN 168 Ca -0.02 0.05 0.11 0.00 0.07 0.00 0.00 57.00 57.21 2gds n GLN 168 Cb 0.15 -0.71 0.33 0.00 2.41 0.00 0.00 30.24 32.42 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 -3.69 0.27 -1.12 3.69 4.02 0.21 -5.02 117.16 115.53 2gds n TYR 169 Ca -0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 2gds n TYR 169 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 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 0.56 0.00 0.00 -0.72 4.01 -0.13 -1.18 118.16 120.70 2gds n LYS 170 Ca 0.16 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.11 2gds n LYS 170 Cb 0.38 0.00 0.75 0.00 -0.51 0.00 0.00 35.03 35.65 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 1.88 0.00 -4.37 4.39 6.94 -1.26 -4.23 115.26 118.61 2gds n ASN 171 Ca 0.00 -0.28 -0.44 0.00 -0.02 0.00 0.00 54.58 53.84 2gds n ASN 171 Cb 0.00 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 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 -1.23 4.27 -0.30 3.53 0.31 -0.33 -4.83 118.33 119.75 2gds n VAL 172 Ca 0.15 -4.68 0.03 0.00 -0.01 0.00 0.00 64.34 59.84 2gds n VAL 172 Cb 0.20 -2.45 0.22 0.00 -0.91 0.00 0.00 33.84 30.91 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 6.91 1.04 0.00 5.55 2.43 -1.82 -2.17 114.38 126.32 2gds h ARG 173 Ca 0.33 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2gds h ARG 173 Cb 0.83 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2gds h ARG 173 CO 1.31 0.69 -0.01 -1.35 -1.51 0.00 0.00 179.97 179.09 2gds h PRO 174 N 1.07 0.00 0.00 0.20 0.11 -1.97 -1.23 132.00 130.18 2gds h PRO 174 Ca 0.37 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.31 2gds h PRO 174 Cb 0.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 2gds h PRO 174 CO -0.13 0.01 -0.84 -0.44 -0.21 0.00 0.00 178.00 176.40 2gds h ASP 175 N 0.00 0.00 -0.16 -2.05 5.19 -1.78 -2.03 116.42 115.59 2gds h ASP 175 Ca -0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 2gds h ASP 175 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.67 2gds h ASP 175 CO 0.00 0.84 -0.49 0.22 -3.12 0.00 0.00 179.24 176.69 2gds h TYR 176 N 0.00 0.80 0.00 4.55 -0.00 -1.28 -2.18 116.97 118.86 2gds h TYR 176 Ca -0.01 -0.32 -0.06 0.00 -0.00 0.00 0.00 58.73 58.34 2gds h TYR 176 Cb 1.50 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.73 38.08 2gds h TYR 176 CO 0.00 1.10 -0.30 -0.07 -0.00 0.00 0.00 178.16 178.89 2gds h LEU 177 N 0.27 0.00 -0.16 2.82 3.38 -1.38 0.97 115.31 121.21 2gds h LEU 177 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2gds h LEU 177 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2gds h LEU 177 CO 0.10 0.30 -0.29 0.50 0.09 0.00 0.00 178.44 179.14 2gds h LYS 178 N 0.00 0.49 -0.37 1.13 1.63 -1.26 -3.27 116.57 114.91 2gds h LYS 178 Ca -0.00 -0.31 -0.14 0.00 -0.85 0.00 0.00 60.65 59.35 2gds h LYS 178 Cb 0.73 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 2gds h LYS 178 CO 0.04 0.91 -0.31 0.00 -3.45 0.00 0.00 179.45 176.63 2gds h ALA 179 N 0.58 0.74 -0.03 5.00 0.00 -0.95 -3.25 119.26 121.34 2gds h ALA 179 Ca 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2gds h ALA 179 Cb 0.88 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2gds h ALA 179 CO 0.07 0.66 0.04 0.97 0.00 0.00 0.00 179.25 180.99 2gds h ILE 180 N 0.69 0.43 0.00 0.00 2.10 -0.87 -2.44 117.51 117.43 2gds h ILE 180 Ca 0.07 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.00 2gds h ILE 180 Cb 0.86 0.96 -0.00 0.00 -1.09 0.00 0.00 36.82 37.55 2gds h ILE 180 CO 0.08 0.00 -0.06 -0.50 -1.08 0.00 0.00 178.15 176.59 2gds h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.67 -2.83 115.95 117.70 2gds h TRP 181 Ca 0.02 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 2gds h TRP 181 Cb 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 2gds h TRP 181 CO 0.00 0.06 -0.33 -0.91 -3.56 0.00 0.00 178.44 173.70 2gds h ASN 182 N 0.00 0.00 -0.26 -3.49 2.35 -1.67 -3.28 115.58 109.23 2gds h ASN 182 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2gds h ASN 182 Cb 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2gds h ASN 182 CO 0.01 0.33 -0.02 1.33 -1.65 0.00 0.00 177.43 177.43 2gds n VAL 183 N -3.36 2.32 -2.66 2.81 0.24 -1.07 -2.03 118.33 114.58 2gds n VAL 183 Ca 0.01 -2.15 -0.43 0.00 -2.04 0.00 0.00 64.34 59.73 2gds n VAL 183 Cb 0.54 -0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.62 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 -2.95 4.60 -1.10 1.34 1.01 -1.23 0.51 121.20 123.37 2gds s ILE 184 Ca 0.42 1.84 -0.22 0.00 0.00 0.00 0.00 60.65 62.69 2gds s ILE 184 Cb 0.35 -4.36 0.02 0.00 0.01 0.00 0.00 42.46 38.49 2gds s ILE 184 CO 0.06 -0.34 1.68 0.21 0.00 0.00 0.00 174.94 176.55 2gds s ASN 185 N 1.46 6.19 0.49 3.58 3.84 0.30 -1.67 114.94 129.13 2gds s ASN 185 Ca 0.44 -1.65 0.33 0.00 0.21 0.00 0.00 52.86 52.20 2gds s ASN 185 Cb -0.13 -2.57 1.53 0.00 -0.55 0.00 0.00 41.25 39.52 2gds s ASN 185 CO 0.11 -1.81 1.99 -0.50 -2.79 0.00 0.00 177.10 174.10 2gds h TRP 186 N 9.38 0.00 -0.31 0.43 4.06 -1.88 -1.85 115.95 125.78 2gds h TRP 186 Ca 0.26 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 61.05 2gds h TRP 186 Cb 0.96 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.12 2gds h TRP 186 CO 1.31 0.00 -0.42 1.49 -3.56 0.00 0.00 178.44 177.26 2gds h GLU 187 N 0.00 0.82 -0.21 0.49 4.81 -1.96 -0.74 114.58 117.80 2gds h GLU 187 Ca 0.00 -0.48 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 2gds h GLU 187 Cb 0.30 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2gds h GLU 187 CO 0.00 1.11 -0.23 -0.97 -0.73 0.00 0.00 179.01 178.19 2gds h ASN 188 N 0.60 0.56 0.05 1.04 -0.73 -1.65 -2.18 115.58 113.27 2gds h ASN 188 Ca 0.03 -0.49 -0.12 0.00 1.87 0.00 0.00 56.30 57.60 2gds h ASN 188 Cb 1.01 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.43 2gds h ASN 188 CO 0.10 0.94 -0.40 -0.37 -0.37 0.00 0.00 177.43 177.33 2gds h VAL 189 N 0.20 1.30 -0.22 2.57 -1.51 -1.48 -0.54 116.25 116.57 2gds h VAL 189 Ca 0.03 -1.54 -0.00 0.00 -1.23 0.00 0.00 66.70 63.96 2gds h VAL 189 Cb 0.79 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 2gds h VAL 189 CO 0.06 0.48 0.13 0.74 -1.23 0.00 0.00 177.57 177.74 2gds h THR 190 N 0.37 1.09 -0.06 7.19 2.02 -1.10 0.24 112.91 122.65 2gds h THR 190 Ca 0.03 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.02 2gds h THR 190 Cb 0.86 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2gds h THR 190 CO 0.07 0.08 -0.03 -0.33 0.37 0.00 0.00 175.52 175.68 2gds h GLU 191 N 0.27 -0.03 -0.19 6.66 5.08 -1.17 0.10 114.58 125.30 2gds h GLU 191 Ca 0.08 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2gds h GLU 191 Cb 0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2gds h GLU 191 CO -0.01 -0.02 0.14 0.00 -1.00 0.00 0.00 179.01 178.11 2gds h ARG 192 N -0.03 0.00 0.00 2.33 3.08 -0.60 -1.20 114.38 117.96 2gds h ARG 192 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2gds h ARG 192 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2gds h ARG 192 CO -0.08 0.00 -0.11 -0.92 -1.07 0.00 0.00 179.97 177.79 2gds h TYR 193 N 0.00 0.10 -0.43 3.04 5.03 0.33 -3.32 116.97 121.72 2gds h TYR 193 Ca 0.09 -0.06 0.06 0.00 2.58 0.00 0.00 58.73 61.40 2gds h TYR 193 Cb 0.36 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 2gds h TYR 193 CO 0.00 0.88 0.29 1.98 -1.32 0.00 0.00 178.16 179.99 2gds h MET 194 N -0.71 0.33 0.00 1.82 4.05 -0.07 -0.66 114.93 119.69 2gds h MET 194 Ca -0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2gds h MET 194 Cb 0.92 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2gds h MET 194 CO 0.02 0.22 0.00 0.00 0.23 0.00 0.00 176.91 177.38 2gds h ALA 195 N 1.77 1.00 0.00 0.39 0.00 -1.35 -2.45 119.26 118.62 2gds h ALA 195 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 2gds h ALA 195 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2gds h ALA 195 CO -0.04 0.00 -1.06 0.00 0.00 0.00 0.00 179.25 178.15 2gds n LYS 197 N -3.22 0.08 0.00 0.00 5.02 -0.94 -5.05 118.16 114.05 2gds n LYS 197 Ca -0.04 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2gds n LYS 197 Cb 0.90 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.43 2gds n LYS 197 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24