#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gem s ARG 2 N 0.00 1.94 -0.04 3.17 0.52 -1.26 -3.05 118.95 120.23 2gem s ARG 2 Ca 0.00 -1.08 -0.00 0.00 -0.52 0.00 0.00 55.73 54.13 2gem s ARG 2 Cb 0.00 -2.17 0.03 0.00 0.52 0.00 0.00 34.95 33.33 2gem s ARG 2 CO 0.00 0.51 -0.01 0.42 0.02 0.00 0.00 175.30 176.24 2gem s ILE 3 N -1.06 0.30 -0.18 1.52 1.01 -0.07 -0.55 121.20 122.17 2gem s ILE 3 Ca 0.17 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 2gem s ILE 3 Cb -0.11 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 2gem s ILE 3 CO 0.09 0.20 0.07 -0.22 0.00 0.00 0.00 174.94 175.07 2gem s LEU 4 N 1.31 3.87 -0.03 2.97 2.96 -0.66 0.20 118.68 129.30 2gem s LEU 4 Ca -0.05 0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.03 2gem s LEU 4 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2gem s LEU 4 CO -0.02 0.18 -0.25 0.00 -1.32 0.00 0.00 176.35 174.94 2gem s ALA 5 N 0.33 2.19 0.01 5.97 0.00 0.15 0.67 121.76 131.08 2gem s ALA 5 Ca 0.04 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2gem s ALA 5 Cb -0.12 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 2gem s ALA 5 CO -0.00 0.51 -0.03 0.42 0.00 0.00 0.00 175.76 176.66 2gem s ILE 6 N -0.53 0.20 -0.08 0.00 1.01 -0.77 -0.65 121.20 120.38 2gem s ILE 6 Ca 0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 2gem s ILE 6 Cb -0.11 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.17 2gem s ILE 6 CO -0.00 -0.07 0.22 -0.62 0.00 0.00 0.00 174.94 174.47 2gem s ASP 7 N -0.40 -0.23 0.00 3.58 -1.08 -0.53 -2.49 116.67 115.51 2gem s ASP 7 Ca -0.03 0.45 0.04 0.00 -0.52 0.00 0.00 52.55 52.49 2gem s ASP 7 Cb -0.03 0.43 0.07 0.00 -1.46 0.00 0.00 42.92 41.93 2gem s ASP 7 CO -0.00 -0.09 0.92 0.35 0.52 0.00 0.00 175.17 176.87 2gem n THR 8 N 3.16 0.00 0.09 1.71 -2.24 -1.26 -2.33 114.28 113.41 2gem n THR 8 Ca -0.15 -0.16 0.02 0.00 -2.27 0.00 0.00 64.05 61.49 2gem n THR 8 Cb 0.58 0.47 0.39 0.00 -2.10 0.00 0.00 70.33 69.67 2gem n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gem h ALA 9 N 0.16 1.54 -3.00 6.98 0.00 -1.78 -3.29 119.26 119.87 2gem h ALA 9 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2gem h ALA 9 Cb 1.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2gem h ALA 9 CO -0.00 0.34 0.00 0.25 0.00 0.00 0.00 179.25 179.83 2gem n THR 10 N -4.32 0.00 0.31 0.00 -2.24 -1.26 0.96 114.28 107.73 2gem n THR 10 Ca 0.00 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.94 2gem n THR 10 Cb 0.22 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.18 2gem n THR 10 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2gem h GLU 11 N 0.00 0.00 -6.64 -0.78 3.07 -1.98 -3.43 114.58 104.81 2gem h GLU 11 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 2gem h GLU 11 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2gem h GLU 11 CO 0.00 0.00 0.02 0.00 -1.40 0.00 0.00 179.01 177.63 2gem s ALA 12 N -3.65 3.42 -0.15 3.43 0.00 -1.26 -1.84 121.76 121.71 2gem s ALA 12 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 2gem s ALA 12 Cb 0.09 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.63 2gem s ALA 12 CO 0.43 0.33 -0.03 0.00 0.00 0.00 0.00 175.76 176.48 2gem s SER 14 N 1.73 0.24 0.01 0.00 1.04 -0.98 -2.12 113.70 113.62 2gem s SER 14 Ca 0.02 -0.67 -0.00 0.00 0.48 0.00 0.00 55.95 55.77 2gem s SER 14 Cb -0.15 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 2gem s SER 14 CO -0.07 -0.57 -0.00 -0.69 0.98 0.00 0.00 173.24 172.89 2gem s VAL 15 N -3.15 0.05 0.02 5.02 1.01 -0.49 -1.46 120.40 121.40 2gem s VAL 15 Ca -0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 2gem s VAL 15 Cb 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.29 2gem s VAL 15 CO -0.07 -0.23 0.35 0.00 0.00 0.00 0.00 175.10 175.15 2gem s ALA 16 N -0.67 -0.86 -0.11 5.51 0.00 0.18 0.61 121.76 126.43 2gem s ALA 16 Ca -0.07 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.17 2gem s ALA 16 Cb -0.05 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2gem s ALA 16 CO -0.00 -0.36 -0.14 -1.17 0.00 0.00 0.00 175.76 174.08 2gem s LEU 17 N -1.72 1.67 -0.24 0.00 2.96 0.30 0.33 118.68 121.99 2gem s LEU 17 Ca -0.09 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 2gem s LEU 17 Cb -0.02 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 2gem s LEU 17 CO 0.01 0.00 0.23 0.86 -1.32 0.00 0.00 176.35 176.12 2gem s TRP 18 N 1.03 3.31 -0.45 5.38 -0.11 0.13 -1.78 118.94 126.45 2gem s TRP 18 Ca -0.06 0.30 0.03 0.00 1.22 0.00 0.00 56.10 57.59 2gem s TRP 18 Cb -0.15 -2.36 0.16 0.00 -1.50 0.00 0.00 33.47 29.62 2gem s TRP 18 CO -0.02 -0.00 0.32 1.21 -4.62 0.00 0.00 176.95 173.83 2gem s ASN 19 N 1.20 2.72 -1.23 5.86 2.47 -0.04 -0.90 114.94 125.03 2gem s ASN 19 Ca 0.10 -2.92 -0.06 0.00 0.42 0.00 0.00 52.86 50.40 2gem s ASN 19 Cb -0.14 -0.74 -0.01 0.00 -1.45 0.00 0.00 41.25 38.91 2gem s ASN 19 CO 0.06 -0.20 0.74 0.59 -3.72 0.00 0.00 177.10 174.57 2gem n ASN 20 N 3.09 -2.96 0.00 -4.21 3.02 -1.17 -2.53 115.26 110.50 2gem n ASN 20 Ca 0.20 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 2gem n ASN 20 Cb 0.41 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 2gem n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gem n GLY 21 N -1.56 2.53 3.65 7.41 0.00 -1.26 -5.00 105.19 110.95 2gem n GLY 21 Ca -0.22 -0.55 -0.48 0.00 0.00 0.00 0.00 46.02 44.78 2gem n GLY 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gem n THR 22 N 0.00 0.05 -4.85 2.61 -1.04 -1.05 -4.97 114.28 105.02 2gem n THR 22 Ca 0.00 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 61.74 2gem n THR 22 Cb 0.00 -1.37 -0.16 0.00 -1.82 0.00 0.00 70.33 66.98 2gem n THR 22 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2gem s ILE 23 N 1.06 1.43 -0.21 12.58 1.01 -1.26 -0.86 121.20 134.96 2gem s ILE 23 Ca 0.82 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2gem s ILE 23 Cb -0.76 -1.22 0.02 0.00 0.01 0.00 0.00 42.46 40.52 2gem s ILE 23 CO 0.42 0.41 -0.14 0.20 0.00 0.00 0.00 174.94 175.82 2gem s ASN 24 N -0.11 3.68 0.07 3.58 -0.87 -0.73 -4.96 114.94 115.59 2gem s ASN 24 Ca -0.00 -0.78 0.01 0.00 -1.57 0.00 0.00 52.86 50.52 2gem s ASN 24 Cb -0.10 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.25 39.54 2gem s ASN 24 CO 0.01 -0.06 -0.06 0.00 -2.57 0.00 0.00 177.10 174.43 2gem s ALA 25 N 1.29 0.70 -0.02 0.60 0.00 -1.26 0.11 121.76 123.17 2gem s ALA 25 Ca 0.02 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2gem s ALA 25 Cb -0.15 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2gem s ALA 25 CO -0.09 -0.17 -0.05 -1.58 0.00 0.00 0.00 175.76 173.87 2gem s HIS 26 N -2.70 0.60 0.01 0.00 2.46 0.20 -4.97 115.29 110.89 2gem s HIS 26 Ca 0.01 -0.13 0.02 0.00 0.47 0.00 0.00 55.06 55.43 2gem s HIS 26 Cb -0.01 -0.49 -0.01 0.00 -0.13 0.00 0.00 32.58 31.94 2gem s HIS 26 CO -0.03 -0.10 -0.06 0.12 -2.47 0.00 0.00 174.74 172.19 2gem s PHE 27 N 0.46 0.53 -0.17 3.88 2.19 -1.26 -1.40 117.98 122.21 2gem s PHE 27 Ca -0.05 -0.25 -0.35 0.00 0.33 0.00 0.00 56.93 56.60 2gem s PHE 27 Cb -0.09 -0.33 0.14 0.00 -1.31 0.00 0.00 43.02 41.43 2gem s PHE 27 CO -0.00 -0.04 1.31 -1.83 1.83 0.00 0.00 175.22 176.48 2gem s GLU 28 N -0.70 0.21 0.23 10.12 -1.05 -0.90 -5.01 118.70 121.59 2gem s GLU 28 Ca -0.03 -0.09 -0.16 0.00 -0.15 0.00 0.00 54.97 54.54 2gem s GLU 28 Cb -0.05 0.08 -0.08 0.00 -0.44 0.00 0.00 34.13 33.64 2gem s GLU 28 CO 0.00 -0.09 0.67 -0.51 0.95 0.00 0.00 175.26 176.28 2gem s LEU 29 N -2.39 4.26 0.00 1.83 1.43 -1.26 0.57 118.68 123.11 2gem s LEU 29 Ca 0.12 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 2gem s LEU 29 Cb 0.01 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2gem s LEU 29 CO -0.04 -0.01 0.00 0.00 0.23 0.00 0.00 176.35 176.53 2gem n GLU 33 N 0.00 0.00 -0.99 0.00 4.07 -1.26 -5.12 120.64 117.34 2gem n GLU 33 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 2gem n GLU 33 Cb 0.00 -0.02 0.12 0.00 -0.06 0.00 0.00 31.44 31.49 2gem n GLU 33 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2gem n HIS 34 N 0.95 2.40 0.00 4.31 8.25 -1.26 -4.49 115.22 125.39 2gem n HIS 34 Ca 0.00 -1.77 0.00 0.00 -0.26 0.00 0.00 57.72 55.69 2gem n HIS 34 Cb 0.00 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.22 2gem n HIS 34 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2gem n THR 35 N -0.68 0.00 0.33 1.59 5.66 -1.26 -4.70 114.28 115.22 2gem n THR 35 Ca 0.47 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.60 2gem n THR 35 Cb 1.23 -0.11 0.70 0.00 -1.55 0.00 0.00 70.33 70.61 2gem n THR 35 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2gem h GLN 36 N 0.00 0.00 0.00 1.09 4.20 -2.04 -0.98 115.11 117.38 2gem h GLN 36 Ca 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 2gem h GLN 36 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2gem h GLN 36 CO 0.00 0.00 -2.07 0.54 -0.67 0.00 0.00 178.83 176.63 2gem n ARG 37 N -2.85 0.74 0.51 1.46 5.12 -1.26 -4.52 116.66 115.86 2gem n ARG 37 Ca -0.01 -0.12 -0.20 0.00 -1.93 0.00 0.00 57.85 55.59 2gem n ARG 37 Cb 0.47 -1.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.19 2gem n ARG 37 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2gem h ILE 38 N 0.00 0.02 -0.41 0.55 5.03 -1.49 -1.67 117.51 119.55 2gem h ILE 38 Ca -0.20 -0.03 0.08 0.00 -0.12 0.00 0.00 64.86 64.59 2gem h ILE 38 Cb 1.42 0.02 -0.08 0.00 -3.03 0.00 0.00 36.82 35.15 2gem h ILE 38 CO 0.01 0.00 -0.08 -0.07 -0.68 0.00 0.00 178.15 177.33 2gem h LEU 39 N -1.34 -0.33 -1.13 1.44 -0.00 -1.83 0.27 115.31 112.39 2gem h LEU 39 Ca -0.13 0.12 0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2gem h LEU 39 Cb 1.00 0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 41.85 2gem h LEU 39 CO 0.22 -0.12 0.57 1.55 -0.00 0.00 0.00 178.44 180.67 2gem h PRO 40 N 0.02 1.15 0.15 1.13 0.13 -1.79 0.11 132.00 132.91 2gem h PRO 40 Ca 0.20 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2gem h PRO 40 Cb 0.30 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2gem h PRO 40 CO -0.40 0.77 -0.07 0.52 -0.23 0.00 0.00 178.00 178.58 2gem h MET 41 N 1.19 -0.20 -0.16 0.86 2.86 -0.06 0.48 114.93 119.89 2gem h MET 41 Ca 0.32 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.02 2gem h MET 41 Cb -0.13 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.51 2gem h MET 41 CO -0.07 -0.04 -0.27 0.28 1.06 0.00 0.00 176.91 177.87 2gem h VAL 42 N -0.32 0.36 -0.34 -2.22 2.07 -0.22 0.22 116.25 115.80 2gem h VAL 42 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2gem h VAL 42 Cb 0.25 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2gem h VAL 42 CO 0.03 0.00 0.11 1.56 0.02 0.00 0.00 177.57 179.29 2gem h GLN 43 N -0.33 0.48 0.40 1.57 4.20 -0.80 -0.57 115.11 120.06 2gem h GLN 43 Ca 0.11 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2gem h GLN 43 Cb 0.49 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2gem h GLN 43 CO -0.35 0.42 -0.19 0.93 -0.67 0.00 0.00 178.83 178.97 2gem h GLU 44 N 0.48 -0.52 -0.52 1.46 5.08 0.16 -2.03 114.58 118.68 2gem h GLU 44 Ca 0.12 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2gem h GLU 44 Cb 0.14 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2gem h GLU 44 CO -0.01 -0.27 0.26 0.82 -1.00 0.00 0.00 179.01 178.82 2gem h ILE 45 N -0.69 0.95 -0.99 3.13 5.03 -0.29 0.52 117.51 125.17 2gem h ILE 45 Ca -0.06 -0.18 0.01 0.00 -0.12 0.00 0.00 64.86 64.52 2gem h ILE 45 Cb 0.49 0.40 -0.05 0.00 -3.03 0.00 0.00 36.82 34.63 2gem h ILE 45 CO 0.09 0.09 0.66 -0.07 -0.68 0.00 0.00 178.15 178.24 2gem h LEU 46 N 0.51 1.13 -0.22 1.44 3.38 -1.06 -1.12 115.31 119.37 2gem h LEU 46 Ca 0.23 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.96 2gem h LEU 46 Cb 0.14 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.62 2gem h LEU 46 CO -0.16 0.81 -0.79 0.00 0.09 0.00 0.00 178.44 178.39 2gem h ALA 47 N 1.37 0.38 0.88 1.53 0.00 -0.96 0.73 119.26 123.19 2gem h ALA 47 Ca 0.37 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2gem h ALA 47 Cb -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2gem h ALA 47 CO -0.08 0.71 -0.50 0.00 0.00 0.00 0.00 179.25 179.38 2gem h ALA 48 N 0.65 -1.31 0.00 0.00 0.00 -0.52 -2.04 119.26 116.04 2gem h ALA 48 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2gem h ALA 48 Cb 1.40 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2gem h ALA 48 CO 0.15 -1.25 0.00 -1.13 0.00 0.00 0.00 179.25 177.03 2gem n SER 49 N -5.65 0.00 -3.09 0.00 3.41 -0.46 -4.87 113.62 102.96 2gem n SER 49 Ca -0.16 0.31 -0.18 0.00 -0.26 0.00 0.00 58.87 58.59 2gem n SER 49 Cb 0.52 -0.41 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 2gem n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gem n GLY 50 N 0.31 -0.28 3.50 5.00 0.00 -0.27 -5.01 105.19 108.43 2gem n GLY 50 Ca 0.06 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2gem n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gem s ALA 51 N -3.29 2.74 -0.03 4.61 0.00 0.24 -5.00 121.76 121.03 2gem s ALA 51 Ca 0.26 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.73 2gem s ALA 51 Cb -0.12 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2gem s ALA 51 CO 0.62 0.48 -0.02 0.45 0.00 0.00 0.00 175.76 177.29 2gem s SER 52 N -2.61 5.02 0.27 0.00 0.15 -1.26 -4.49 113.70 110.78 2gem s SER 52 Ca 0.22 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 2gem s SER 52 Cb -0.09 -1.32 0.51 0.00 -1.71 0.00 0.00 66.02 63.41 2gem s SER 52 CO 0.12 0.32 1.80 0.25 1.20 0.00 0.00 173.24 176.93 2gem h LEU 53 N 4.73 0.70 -2.02 3.45 7.12 -1.97 -0.58 115.31 126.74 2gem h LEU 53 Ca -0.49 0.07 0.06 0.00 0.13 0.00 0.00 57.88 57.64 2gem h LEU 53 Cb 1.18 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.24 2gem h LEU 53 CO 0.55 0.35 0.15 0.78 -0.13 0.00 0.00 178.44 180.14 2gem h ASN 54 N 0.79 0.00 0.56 1.25 2.35 -1.95 -2.72 115.58 115.85 2gem h ASN 54 Ca 0.46 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.94 2gem h ASN 54 Cb 0.54 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.91 2gem h ASN 54 CO -0.30 0.00 -1.20 -0.33 -1.65 0.00 0.00 177.43 173.95 2gem h GLU 55 N 0.00 0.31 -6.41 0.81 5.08 -1.48 -3.47 114.58 109.42 2gem h GLU 55 Ca 0.10 -0.48 -0.59 0.00 -1.00 0.00 0.00 59.36 57.39 2gem h GLU 55 Cb 0.40 0.17 0.17 0.00 0.50 0.00 0.00 28.75 29.99 2gem h GLU 55 CO -0.00 1.21 -0.51 -0.89 -1.00 0.00 0.00 179.01 177.82 2gem n ILE 56 N -3.59 1.87 0.05 3.13 5.41 -1.03 -4.81 119.36 120.40 2gem n ILE 56 Ca -0.09 -0.50 0.11 0.00 1.00 0.00 0.00 62.75 63.28 2gem n ILE 56 Cb 0.99 -0.56 -0.09 0.00 -0.71 0.00 0.00 39.64 39.27 2gem n ILE 56 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2gem n ASP 57 N 0.87 0.42 -3.60 4.38 9.92 0.29 -4.93 116.55 123.90 2gem n ASP 57 Ca 0.11 0.16 -0.07 0.00 -0.53 0.00 0.00 54.79 54.46 2gem n ASP 57 Cb 0.47 1.23 -0.04 0.00 -0.64 0.00 0.00 41.12 42.14 2gem n ASP 57 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gem s ALA 58 N -3.44 -2.01 -0.21 2.24 0.00 -1.14 -4.34 121.76 112.86 2gem s ALA 58 Ca -0.04 1.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 2gem s ALA 58 Cb 0.12 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 2gem s ALA 58 CO 0.85 -0.30 -0.08 -1.17 0.00 0.00 0.00 175.76 175.06 2gem s LEU 59 N -1.16 2.72 -0.12 0.00 0.20 -0.72 -1.65 118.68 117.95 2gem s LEU 59 Ca 0.03 -0.45 -0.15 0.00 0.69 0.00 0.00 54.13 54.26 2gem s LEU 59 Cb -0.01 -1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 44.03 2gem s LEU 59 CO -0.03 -0.01 0.34 0.00 -0.29 0.00 0.00 176.35 176.36 2gem s ALA 60 N 1.42 3.60 0.08 5.97 0.00 0.21 -1.37 121.76 131.68 2gem s ALA 60 Ca 0.05 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 51.74 2gem s ALA 60 Cb -0.14 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2gem s ALA 60 CO -0.05 0.17 -0.26 -0.59 0.00 0.00 0.00 175.76 175.03 2gem s PHE 61 N 0.15 2.23 -0.58 0.00 -0.12 -0.14 -1.84 117.98 117.68 2gem s PHE 61 Ca 0.20 -0.40 -0.28 0.00 -0.05 0.00 0.00 56.93 56.40 2gem s PHE 61 Cb -0.14 -1.28 0.03 0.00 -0.63 0.00 0.00 43.02 41.00 2gem s PHE 61 CO 0.07 0.21 1.24 0.20 -0.05 0.00 0.00 175.22 176.89 2gem s GLY 62 N -1.61 1.08 0.00 1.99 0.00 -1.04 -1.21 107.32 106.54 2gem s GLY 62 Ca 0.12 -0.81 0.23 0.00 0.00 0.00 0.00 44.72 44.25 2gem s GLY 62 CO 0.04 2.57 1.80 -0.96 0.00 0.00 0.00 173.10 176.54 2gem n ARG 63 N 8.52 1.18 0.00 2.90 1.85 -0.99 -4.76 116.66 125.36 2gem n ARG 63 Ca 0.09 -0.26 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 2gem n ARG 63 Cb 0.49 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 2gem n ARG 63 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2gem n GLY 64 N 0.92 -1.66 3.76 2.89 0.00 -1.26 -1.34 105.19 108.50 2gem n GLY 64 Ca 0.17 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 2gem n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gem s PRO 65 N 0.00 2.49 0.00 1.61 0.04 -1.26 -0.62 135.00 137.26 2gem s PRO 65 Ca 0.00 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2gem s PRO 65 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2gem s PRO 65 CO 0.00 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2gem n GLY 66 N -0.55 -1.00 3.67 0.56 0.00 -1.26 -4.74 105.19 101.87 2gem n GLY 66 Ca 0.10 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2gem n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gem s SER 67 N -4.00 6.62 0.28 1.61 0.15 0.27 -4.85 113.70 113.78 2gem s SER 67 Ca 0.00 2.38 0.03 0.00 0.70 0.00 0.00 55.95 59.06 2gem s SER 67 Cb 0.00 -2.54 0.65 0.00 -1.71 0.00 0.00 66.02 62.42 2gem s SER 67 CO 0.00 -0.93 1.76 0.15 1.20 0.00 0.00 173.24 175.42 2gem h PHE 68 N 9.26 0.88 0.20 3.44 3.57 -1.98 0.57 116.94 132.88 2gem h PHE 68 Ca -0.42 0.04 -0.28 0.00 3.53 0.00 0.00 57.97 60.84 2gem h PHE 68 Cb 1.19 -0.25 0.03 0.00 2.79 0.00 0.00 35.95 39.71 2gem h PHE 68 CO 0.86 0.17 -1.26 1.15 -2.23 0.00 0.00 178.31 177.00 2gem h THR 69 N 0.65 1.33 -0.41 4.41 2.02 -1.96 -3.27 112.91 115.68 2gem h THR 69 Ca 0.53 -2.61 0.05 0.00 0.77 0.00 0.00 66.41 65.14 2gem h THR 69 Cb 0.83 3.07 -0.04 0.00 -1.74 0.00 0.00 68.15 70.26 2gem h THR 69 CO -0.40 0.77 0.16 1.23 0.37 0.00 0.00 175.52 177.66 2gem h GLY 70 N -0.01 0.54 0.84 2.16 0.00 -1.55 -2.41 103.07 102.64 2gem h GLY 70 Ca -0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2gem h GLY 70 CO 0.21 0.04 0.04 -0.24 0.00 0.00 0.00 176.54 176.60 2gem h VAL 71 N 0.33 1.19 -0.26 4.60 3.04 -1.00 -2.73 116.25 121.42 2gem h VAL 71 Ca 0.19 -0.58 0.02 0.00 -1.01 0.00 0.00 66.70 65.32 2gem h VAL 71 Cb 0.15 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 2gem h VAL 71 CO -0.17 0.17 0.17 0.03 -1.01 0.00 0.00 177.57 176.76 2gem h ARG 72 N 0.05 0.28 -0.13 4.17 3.08 -1.58 -1.46 114.38 118.78 2gem h ARG 72 Ca 0.05 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 2gem h ARG 72 Cb 0.23 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2gem h ARG 72 CO -0.00 0.19 -0.20 0.82 -1.07 0.00 0.00 179.97 179.71 2gem h ILE 73 N 0.29 1.37 -0.77 2.04 1.08 -1.29 -2.26 117.51 117.97 2gem h ILE 73 Ca 0.10 -1.43 -0.02 0.00 -0.39 0.00 0.00 64.86 63.12 2gem h ILE 73 Cb 0.06 2.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.77 2gem h ILE 73 CO -0.02 0.42 0.39 1.23 -0.69 0.00 0.00 178.15 179.47 2gem h GLY 74 N -0.04 1.17 1.01 5.37 0.00 -1.13 -2.59 103.07 106.86 2gem h GLY 74 Ca 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 2gem h GLY 74 CO 0.05 0.54 0.19 -2.22 0.00 0.00 0.00 176.54 175.09 2gem h ILE 75 N 1.08 1.24 -0.48 2.60 2.04 -1.30 -1.02 117.51 121.67 2gem h ILE 75 Ca 0.27 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.32 2gem h ILE 75 Cb 0.09 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2gem h ILE 75 CO -0.04 0.32 0.25 1.23 0.00 0.00 0.00 178.15 179.91 2gem h GLY 76 N 0.87 0.67 1.52 5.37 0.00 -1.13 0.36 103.07 110.73 2gem h GLY 76 Ca 0.20 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 2gem h GLY 76 CO -0.01 0.12 -0.35 -2.22 0.00 0.00 0.00 176.54 174.08 2gem h ILE 77 N 0.49 1.29 -0.35 2.60 2.04 -1.32 -1.77 117.51 120.49 2gem h ILE 77 Ca 0.21 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.52 2gem h ILE 77 Cb 0.11 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2gem h ILE 77 CO -0.14 0.46 -0.09 0.00 0.00 0.00 0.00 178.15 178.38 2gem h ALA 78 N 1.17 0.48 -0.43 1.87 0.00 -0.47 -0.86 119.26 121.02 2gem h ALA 78 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2gem h ALA 78 Cb 0.82 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2gem h ALA 78 CO 0.07 0.33 0.12 1.96 0.00 0.00 0.00 179.25 181.73 2gem h GLN 79 N 0.46 0.63 -0.11 0.00 4.20 -0.17 0.32 115.11 120.44 2gem h GLN 79 Ca 0.09 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2gem h GLN 79 Cb 0.60 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2gem h GLN 79 CO 0.04 0.57 -0.07 0.78 -0.67 0.00 0.00 178.83 179.47 2gem h GLY 80 N 0.83 0.27 0.99 3.46 0.00 -1.01 0.12 103.07 107.73 2gem h GLY 80 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2gem h GLY 80 CO -0.01 0.23 0.31 1.41 0.00 0.00 0.00 176.54 178.49 2gem h LEU 81 N -0.12 0.74 -0.30 3.11 3.38 -0.88 -1.70 115.31 119.54 2gem h LEU 81 Ca 0.02 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 2gem h LEU 81 Cb 0.55 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2gem h LEU 81 CO 0.02 0.63 -0.54 0.00 0.09 0.00 0.00 178.44 178.64 2gem h ALA 82 N 1.14 0.46 -0.31 1.53 0.00 -0.93 -3.01 119.26 118.14 2gem h ALA 82 Ca 0.20 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2gem h ALA 82 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2gem h ALA 82 CO -0.03 0.67 0.03 1.25 0.00 0.00 0.00 179.25 181.17 2gem h LEU 83 N 0.68 0.50 -1.12 0.00 5.85 -0.61 0.88 115.31 121.49 2gem h LEU 83 Ca 0.02 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2gem h LEU 83 Cb 1.15 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2gem h LEU 83 CO 0.12 0.66 0.00 1.23 -0.34 0.00 0.00 178.44 180.11 2gem h GLY 84 N 0.33 0.00 -0.48 3.75 0.00 -1.38 -2.72 103.07 102.57 2gem h GLY 84 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2gem h GLY 84 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2gem n ALA 85 N -1.83 2.10 -3.70 3.60 0.00 -0.96 -5.02 120.51 114.70 2gem n ALA 85 Ca 0.01 -1.15 -0.30 0.00 0.00 0.00 0.00 53.44 51.99 2gem n ALA 85 Cb 0.18 -0.19 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2gem n ALA 85 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gem n ASN 86 N -0.19 -5.32 -4.42 0.00 4.13 0.08 -4.80 115.26 104.74 2gem n ASN 86 Ca 0.05 -0.97 -0.30 0.00 1.68 0.00 0.00 54.58 55.04 2gem n ASN 86 Cb 0.34 -3.08 -0.13 0.00 -1.54 0.00 0.00 39.78 35.38 2gem n ASN 86 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2gem s LEU 87 N -6.22 2.45 0.47 3.41 1.43 0.07 -5.03 118.68 115.25 2gem s LEU 87 Ca 0.38 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 2gem s LEU 87 Cb -0.15 -1.41 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 2gem s LEU 87 CO 0.87 0.24 1.00 -2.84 0.23 0.00 0.00 176.35 175.85 2gem s PRO 88 N -1.51 3.98 0.09 1.29 0.02 -1.26 -4.70 135.00 132.90 2gem s PRO 88 Ca 0.14 1.24 0.07 0.00 0.02 0.00 0.00 61.00 62.47 2gem s PRO 88 Cb -0.10 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 2gem s PRO 88 CO 0.05 -0.26 -0.12 -1.64 -0.33 0.00 0.00 177.00 174.69 2gem s MET 89 N -3.25 2.10 -0.13 5.54 -1.94 0.05 -1.76 119.30 119.92 2gem s MET 89 Ca 0.65 -1.02 -0.00 0.00 -1.71 0.00 0.00 55.69 53.61 2gem s MET 89 Cb -0.13 -2.28 0.03 0.00 2.01 0.00 0.00 34.83 34.46 2gem s MET 89 CO 0.18 0.51 -0.09 0.42 -0.01 0.00 0.00 175.02 176.03 2gem s ILE 90 N -1.15 1.18 -0.12 2.53 1.01 -0.47 0.50 121.20 124.67 2gem s ILE 90 Ca 0.20 -0.44 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 2gem s ILE 90 Cb -0.11 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 2gem s ILE 90 CO 0.12 0.35 0.84 -0.83 0.00 0.00 0.00 174.94 175.41 2gem s GLY 91 N 1.64 2.32 -0.13 6.18 0.00 -1.26 -0.97 107.32 115.11 2gem s GLY 91 Ca 0.04 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.93 2gem s GLY 91 CO -0.09 1.60 -0.19 0.14 0.00 0.00 0.00 173.10 174.57 2gem s VAL 92 N 1.74 2.45 0.32 1.40 1.01 -0.35 -4.93 120.40 122.05 2gem s VAL 92 Ca 0.41 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2gem s VAL 92 Cb -0.17 -1.99 -0.11 0.00 0.00 0.00 0.00 36.38 34.10 2gem s VAL 92 CO 0.16 0.54 1.50 -0.55 0.00 0.00 0.00 175.10 176.75 2gem s SER 93 N 0.56 6.44 0.29 3.32 0.15 -1.26 -2.34 113.70 120.87 2gem s SER 93 Ca -0.11 2.92 0.04 0.00 0.70 0.00 0.00 55.95 59.50 2gem s SER 93 Cb -0.16 -2.65 0.44 0.00 -1.71 0.00 0.00 66.02 61.94 2gem s SER 93 CO 0.04 -0.83 1.73 0.74 1.20 0.00 0.00 173.24 176.12 2gem h THR 94 N 3.22 1.27 0.02 6.45 2.02 -1.16 0.20 112.91 124.92 2gem h THR 94 Ca -0.49 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 2gem h THR 94 Cb 1.23 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2gem h THR 94 CO 0.72 0.40 -0.01 -0.07 0.37 0.00 0.00 175.52 176.93 2gem h LEU 95 N 0.37 -0.02 -1.37 2.58 -0.00 -1.88 -2.61 115.31 112.39 2gem h LEU 95 Ca 0.05 -0.49 -0.02 0.00 -0.00 0.00 0.00 57.88 57.41 2gem h LEU 95 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 2gem h LEU 95 CO 0.05 0.49 0.14 0.00 -0.00 0.00 0.00 178.44 179.12 2gem h ALA 96 N 0.44 1.51 -0.42 1.53 0.00 -1.93 -1.86 119.26 118.53 2gem h ALA 96 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2gem h ALA 96 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2gem h ALA 96 CO 0.00 0.38 0.27 1.15 0.00 0.00 0.00 179.25 181.05 2gem h THR 97 N 0.57 1.09 -0.17 0.00 2.02 -0.89 -0.74 112.91 114.79 2gem h THR 97 Ca 0.14 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 2gem h THR 97 Cb 0.14 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2gem h THR 97 CO -0.01 0.10 -0.32 0.24 0.37 0.00 0.00 175.52 175.90 2gem h MET 98 N 0.55 0.35 -0.63 6.66 2.07 -0.97 -2.11 114.93 120.84 2gem h MET 98 Ca 0.16 -0.14 -0.04 0.00 -2.07 0.00 0.00 59.70 57.60 2gem h MET 98 Cb -0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.64 2gem h MET 98 CO -0.05 0.64 0.23 0.00 1.07 0.00 0.00 176.91 178.80 2gem h ALA 99 N 1.36 1.21 -0.28 6.32 0.00 -0.69 0.22 119.26 127.40 2gem h ALA 99 Ca 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2gem h ALA 99 Cb 0.72 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2gem h ALA 99 CO 0.05 0.57 -0.04 0.37 0.00 0.00 0.00 179.25 180.21 2gem h GLN 100 N 0.92 0.44 -0.45 0.00 5.75 -0.59 -1.82 115.11 119.35 2gem h GLN 100 Ca 0.21 -0.09 -0.09 0.00 -0.15 0.00 0.00 58.65 58.53 2gem h GLN 100 Cb 0.22 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 2gem h GLN 100 CO -0.01 0.49 -0.07 0.78 -2.65 0.00 0.00 178.83 177.37 2gem h GLY 101 N 0.79 0.85 1.20 2.39 0.00 -0.38 -1.83 103.07 106.10 2gem h GLY 101 Ca 0.09 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 2gem h GLY 101 CO 0.01 0.57 -0.17 0.00 0.00 0.00 0.00 176.54 176.95 2gem h ALA 102 N 1.20 0.81 -0.43 3.60 0.00 -0.38 -1.72 119.26 122.33 2gem h ALA 102 Ca 0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2gem h ALA 102 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2gem h ALA 102 CO 0.03 0.65 0.26 2.35 0.00 0.00 0.00 179.25 182.55 2gem h TRP 103 N 0.81 0.57 -0.53 0.00 2.91 -1.09 0.26 115.95 118.89 2gem h TRP 103 Ca 0.12 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.12 2gem h TRP 103 Cb 0.71 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.15 2gem h TRP 103 CO 0.04 0.40 0.26 -0.09 -1.03 0.00 0.00 178.44 178.03 2gem h ARG 104 N 0.57 0.76 0.00 2.65 2.43 -1.10 0.51 114.38 120.19 2gem h ARG 104 Ca 0.16 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 2gem h ARG 104 Cb -0.00 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2gem h ARG 104 CO -0.03 0.61 -1.18 0.87 -1.51 0.00 0.00 179.97 178.73 2gem h LYS 105 N 0.71 0.00 0.00 0.20 1.57 -1.17 -3.41 116.57 114.46 2gem h LYS 105 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2gem h LYS 105 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2gem h LYS 105 CO -0.02 0.41 -0.44 0.25 -0.57 0.00 0.00 179.45 179.07 2gem n THR 106 N -3.02 0.00 -0.32 -0.16 -2.24 0.87 -5.02 114.28 104.40 2gem n THR 106 Ca -0.07 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2gem n THR 106 Cb 0.84 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2gem n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gem n GLY 107 N 1.16 0.66 3.60 3.38 0.00 0.18 -4.98 105.19 109.19 2gem n GLY 107 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2gem n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gem n ALA 108 N -1.05 -0.15 0.19 4.61 0.00 -1.23 -4.81 120.51 118.07 2gem n ALA 108 Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 53.44 53.87 2gem n ALA 108 Cb 0.00 -2.06 -0.01 0.00 0.00 0.00 0.00 19.45 17.38 2gem n ALA 108 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gem n THR 109 N 0.79 0.00 -4.12 0.00 -2.24 -1.26 -3.80 114.28 103.65 2gem n THR 109 Ca 0.11 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 61.18 2gem n THR 109 Cb 0.30 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.40 2gem n THR 109 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2gem s ARG 110 N -0.97 1.73 -0.00 -0.78 0.52 -1.26 -0.57 118.95 117.62 2gem s ARG 110 Ca 0.03 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.91 2gem s ARG 110 Cb 0.03 -1.65 -0.01 0.00 0.52 0.00 0.00 34.95 33.85 2gem s ARG 110 CO 0.12 -0.18 -0.08 0.08 0.02 0.00 0.00 175.30 175.26 2gem s VAL 111 N 1.39 0.61 -0.31 3.52 1.01 0.20 -1.28 120.40 125.54 2gem s VAL 111 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2gem s VAL 111 Cb -0.13 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.76 2gem s VAL 111 CO -0.05 0.13 0.03 -0.76 0.00 0.00 0.00 175.10 174.44 2gem s LEU 112 N -0.31 4.01 -0.21 3.92 1.43 -0.53 -0.08 118.68 126.91 2gem s LEU 112 Ca 0.02 -1.22 -0.10 0.00 -1.03 0.00 0.00 54.13 51.80 2gem s LEU 112 Cb -0.04 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2gem s LEU 112 CO -0.00 -0.28 0.14 0.00 0.23 0.00 0.00 176.35 176.44 2gem s ALA 113 N 1.30 3.64 -0.11 4.21 0.00 -0.10 -1.90 121.76 128.82 2gem s ALA 113 Ca -0.04 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 2gem s ALA 113 Cb -0.20 -2.21 0.04 0.00 0.00 0.00 0.00 23.12 20.75 2gem s ALA 113 CO 0.00 0.03 0.04 0.00 0.00 0.00 0.00 175.76 175.83 2gem s ALA 114 N 0.62 0.57 -0.16 0.00 0.00 0.03 -1.60 121.76 121.21 2gem s ALA 114 Ca 0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 2gem s ALA 114 Cb -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2gem s ALA 114 CO 0.00 -0.75 0.07 0.42 0.00 0.00 0.00 175.76 175.51 2gem s ILE 115 N 2.04 4.88 -0.98 0.00 1.01 0.10 0.44 121.20 128.69 2gem s ILE 115 Ca 0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.44 2gem s ILE 115 Cb -0.14 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.17 2gem s ILE 115 CO -0.06 0.50 1.63 -0.62 0.00 0.00 0.00 174.94 176.39 2gem s ASP 116 N 0.01 6.00 0.56 3.58 2.15 -1.26 -1.93 116.67 125.77 2gem s ASP 116 Ca 0.06 -1.16 -0.16 0.00 0.43 0.00 0.00 52.55 51.73 2gem s ASP 116 Cb -0.12 -2.57 -0.06 0.00 -0.30 0.00 0.00 42.92 39.88 2gem s ASP 116 CO 0.01 -1.97 1.02 0.00 -0.17 0.00 0.00 175.17 174.06 2gem s ALA 117 N 6.87 2.93 1.06 3.66 0.00 0.10 -4.90 121.76 131.48 2gem s ALA 117 Ca 0.55 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 2gem s ALA 117 Cb -0.02 -3.16 0.23 0.00 0.00 0.00 0.00 23.12 20.16 2gem s ALA 117 CO -0.07 -0.53 1.08 1.03 0.00 0.00 0.00 175.76 177.28 2gem s ARG 118 N -4.19 -0.10 -1.45 0.00 1.81 -1.26 -2.88 118.95 110.88 2gem s ARG 118 Ca 0.60 1.14 -0.07 0.00 -1.72 0.00 0.00 55.73 55.68 2gem s ARG 118 Cb -0.12 -1.63 0.05 0.00 -0.45 0.00 0.00 34.95 32.79 2gem s ARG 118 CO 0.36 -3.26 0.76 -1.33 -0.68 0.00 0.00 175.30 171.15 2gem n MET 119 N -4.63 -4.69 -3.38 3.54 2.81 -1.26 -2.62 117.12 106.90 2gem n MET 119 Ca 0.07 0.55 -0.24 0.00 -1.81 0.00 0.00 57.70 56.27 2gem n MET 119 Cb 0.53 -5.17 0.05 0.00 -0.71 0.00 0.00 33.22 27.93 2gem n MET 119 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gem n GLY 120 N -1.68 -0.53 3.48 3.03 0.00 -1.25 -5.02 105.19 103.22 2gem n GLY 120 Ca -0.14 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2gem n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gem s GLU 121 N -6.08 1.73 -0.03 1.61 2.02 -1.08 -4.45 118.70 112.42 2gem s GLU 121 Ca 0.47 -1.51 0.01 0.00 0.02 0.00 0.00 54.97 53.96 2gem s GLU 121 Cb -0.21 -1.92 0.02 0.00 0.10 0.00 0.00 34.13 32.11 2gem s GLU 121 CO 0.58 0.39 -0.03 0.54 0.02 0.00 0.00 175.26 176.76 2gem s VAL 122 N -1.88 0.40 -0.22 2.63 0.11 -0.10 0.01 120.40 121.34 2gem s VAL 122 Ca 0.24 -0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 58.98 2gem s VAL 122 Cb -0.07 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 2gem s VAL 122 CO 0.13 0.18 0.72 -0.31 -3.33 0.00 0.00 175.10 172.49 2gem s TYR 123 N 0.71 3.33 0.15 1.54 4.12 -0.81 -0.14 117.35 126.24 2gem s TYR 123 Ca -0.08 1.01 0.11 0.00 0.02 0.00 0.00 57.07 58.13 2gem s TYR 123 Cb -0.12 -2.92 -0.04 0.00 -1.52 0.00 0.00 41.96 37.36 2gem s TYR 123 CO -0.00 -0.30 -0.26 -0.46 0.02 0.00 0.00 175.55 174.55 2gem s TRP 124 N 2.41 2.32 -0.23 2.71 -0.11 0.17 -0.72 118.94 125.49 2gem s TRP 124 Ca 0.31 -0.37 -0.26 0.00 1.22 0.00 0.00 56.10 57.00 2gem s TRP 124 Cb -0.16 -1.23 0.09 0.00 -1.50 0.00 0.00 33.47 30.67 2gem s TRP 124 CO 0.09 0.38 0.81 0.00 -4.62 0.00 0.00 176.95 173.62 2gem s ALA 125 N -1.22 -1.84 -0.33 5.86 0.00 -0.63 -0.89 121.76 122.71 2gem s ALA 125 Ca 0.16 1.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.95 2gem s ALA 125 Cb -0.09 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.07 2gem s ALA 125 CO 0.07 -0.32 0.06 -1.21 0.00 0.00 0.00 175.76 174.36 2gem s GLU 126 N -0.02 2.27 -0.16 0.00 2.02 -1.26 -0.92 118.70 120.63 2gem s GLU 126 Ca -0.01 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 53.53 2gem s GLU 126 Cb -0.04 -3.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 2gem s GLU 126 CO 0.01 -0.75 -0.10 0.71 0.02 0.00 0.00 175.26 175.14 2gem s TYR 127 N 1.21 2.87 -0.18 1.61 1.51 0.88 -4.28 117.35 120.97 2gem s TYR 127 Ca -0.01 -0.77 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 2gem s TYR 127 Cb -0.20 -1.93 0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2gem s TYR 127 CO -0.02 -0.34 -0.12 -0.65 -1.11 0.00 0.00 175.55 173.31 2gem s GLN 128 N 0.74 2.15 0.00 -0.62 -0.21 0.60 0.59 119.66 122.91 2gem s GLN 128 Ca -0.05 -0.72 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 2gem s GLN 128 Cb -0.15 -2.28 -0.06 0.00 1.00 0.00 0.00 33.01 31.52 2gem s GLN 128 CO 0.02 -0.35 1.40 0.50 -2.12 0.00 0.00 175.29 174.74 2gem s ARG 129 N 1.44 4.28 0.25 2.91 3.52 0.26 -0.50 118.95 131.11 2gem s ARG 129 Ca 0.01 1.97 -0.02 0.00 -0.13 0.00 0.00 55.73 57.56 2gem s ARG 129 Cb -0.15 -3.57 0.05 0.00 -1.56 0.00 0.00 34.95 29.73 2gem s ARG 129 CO -0.09 -0.57 0.34 -0.40 -0.81 0.00 0.00 175.30 173.77 2gem n ASP 130 N 5.34 0.22 0.23 -2.12 5.68 0.19 -4.90 116.55 121.18 2gem n ASP 130 Ca 0.13 -1.24 0.06 0.00 -0.50 0.00 0.00 54.79 53.24 2gem n ASP 130 Cb 0.44 -0.24 0.54 0.00 -1.14 0.00 0.00 41.12 40.71 2gem n ASP 130 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gem h ALA 131 N -1.19 1.66 -0.01 2.12 0.00 -1.95 -2.03 119.26 117.86 2gem h ALA 131 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2gem h ALA 131 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2gem h ALA 131 CO 0.10 0.21 -0.04 1.04 0.00 0.00 0.00 179.25 180.55 2gem n GLN 132 N -4.25 1.04 -0.59 0.00 3.00 -1.26 -4.88 117.38 110.44 2gem n GLN 132 Ca -0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 2gem n GLN 132 Cb 0.23 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.98 2gem n GLN 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gem n GLY 133 N 1.16 0.65 3.73 1.08 0.00 -0.76 -5.05 105.19 106.00 2gem n GLY 133 Ca 0.19 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2gem n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gem s VAL 134 N -2.00 5.39 -0.36 1.61 1.01 -1.26 -4.82 120.40 119.97 2gem s VAL 134 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 2gem s VAL 134 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2gem s VAL 134 CO 0.00 0.43 1.43 0.26 0.00 0.00 0.00 175.10 177.22 2gem s TRP 135 N 0.36 2.41 0.11 5.22 0.52 -1.26 -0.64 118.94 125.65 2gem s TRP 135 Ca 0.10 0.71 -0.04 0.00 0.02 0.00 0.00 56.10 56.89 2gem s TRP 135 Cb -0.11 -4.16 -0.05 0.00 -1.15 0.00 0.00 33.47 27.99 2gem s TRP 135 CO -0.01 -2.07 0.33 -0.65 0.02 0.00 0.00 176.95 174.58 2gem s GLN 136 N 4.76 3.58 0.00 4.98 -1.52 0.34 -4.63 119.66 127.17 2gem s GLN 136 Ca 0.62 -0.16 0.00 0.00 -1.95 0.00 0.00 55.36 53.87 2gem s GLN 136 Cb -0.16 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 2gem s GLN 136 CO 0.30 0.52 0.00 0.41 -0.25 0.00 0.00 175.29 176.27 2gem n GLY 137 N 0.24 1.22 0.45 3.09 0.00 -1.26 -0.29 105.19 108.65 2gem n GLY 137 Ca -0.04 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.25 2gem n GLY 137 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2gem h GLU 138 N 0.18 0.06 0.00 1.61 4.81 -1.82 0.52 114.58 119.94 2gem h GLU 138 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2gem h GLU 138 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2gem h GLU 138 CO 0.00 0.04 0.00 -0.85 -0.73 0.00 0.00 179.01 177.47 2gem n GLU 139 N -4.32 0.02 0.00 1.92 0.00 -1.26 -2.43 120.64 114.58 2gem n GLU 139 Ca 0.18 0.28 0.13 0.00 0.00 0.00 0.00 57.16 57.75 2gem n GLU 139 Cb 0.90 -1.54 0.42 0.00 0.00 0.00 0.00 31.44 31.22 2gem n GLU 139 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2gem n THR 140 N -1.58 0.00 -1.73 3.84 -2.24 0.18 -4.93 114.28 107.82 2gem n THR 140 Ca 0.03 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 2gem n THR 140 Cb 0.17 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 2gem n THR 140 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gem n GLU 141 N -0.82 2.37 -3.53 -0.78 1.02 -1.02 -4.47 120.64 113.41 2gem n GLU 141 Ca 0.12 0.83 -0.07 0.00 -0.02 0.00 0.00 57.16 58.02 2gem n GLU 141 Cb 0.33 -2.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.24 2gem n GLU 141 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gem s ALA 142 N -0.97 -1.90 -0.29 0.62 0.00 -0.07 -4.98 121.76 114.17 2gem s ALA 142 Ca 0.56 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 2gem s ALA 142 Cb -0.53 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2gem s ALA 142 CO 0.61 -0.65 0.18 0.54 0.00 0.00 0.00 175.76 176.44 2gem s VAL 143 N -2.83 5.12 0.21 0.00 0.11 -1.26 0.43 120.40 122.17 2gem s VAL 143 Ca 0.06 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 2gem s VAL 143 Cb -0.01 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.32 2gem s VAL 143 CO -0.07 0.22 0.01 -0.76 -3.33 0.00 0.00 175.10 171.16 2gem s LEU 144 N 1.73 2.09 0.00 2.54 1.43 0.80 -4.96 118.68 122.30 2gem s LEU 144 Ca 0.07 -1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 51.79 2gem s LEU 144 Cb -0.16 -0.13 -0.06 0.00 0.03 0.00 0.00 46.19 45.87 2gem s LEU 144 CO 0.10 -0.56 0.45 -0.54 0.23 0.00 0.00 176.35 176.02 2gem s LYS 145 N -3.91 4.03 0.24 1.70 1.02 -1.26 -0.92 119.74 120.64 2gem s LYS 145 Ca 0.27 0.49 -0.04 0.00 0.02 0.00 0.00 55.97 56.71 2gem s LYS 145 Cb 0.06 -3.25 0.47 0.00 -0.52 0.00 0.00 37.83 34.59 2gem s LYS 145 CO 0.07 0.62 1.31 -2.30 -0.92 0.00 0.00 175.35 174.13 2gem n PRO 146 N 2.01 -0.07 -0.36 -1.68 -0.02 -1.26 0.12 135.00 133.74 2gem n PRO 146 Ca -0.12 1.29 0.05 0.00 -2.02 0.00 0.00 63.50 62.70 2gem n PRO 146 Cb 0.52 -1.97 0.21 0.00 -0.02 0.00 0.00 33.50 32.25 2gem n PRO 146 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2gem h GLU 147 N 0.00 1.00 0.00 -0.52 4.81 -1.96 -0.99 114.58 116.91 2gem h GLU 147 Ca 0.44 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.49 2gem h GLU 147 Cb 0.75 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2gem h GLU 147 CO -0.84 0.66 -0.55 0.00 -0.73 0.00 0.00 179.01 177.55 2gem h ARG 148 N 1.03 0.00 0.28 1.92 2.47 0.55 -2.78 114.38 117.84 2gem h ARG 148 Ca 0.47 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.18 2gem h ARG 148 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2gem h ARG 148 CO -0.24 0.55 -0.14 0.28 0.56 0.00 0.00 179.97 180.99 2gem h VAL 149 N 0.00 0.71 -0.32 2.04 2.07 -0.54 -1.60 116.25 118.61 2gem h VAL 149 Ca -0.01 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 66.91 2gem h VAL 149 Cb 1.02 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2gem h VAL 149 CO 0.07 0.13 0.31 1.23 0.02 0.00 0.00 177.57 179.33 2gem h GLY 150 N -0.78 0.00 1.42 2.17 0.00 -1.37 0.45 103.07 104.95 2gem h GLY 150 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 2gem h GLY 150 CO 0.06 0.00 -0.65 -2.09 0.00 0.00 0.00 176.54 173.86 2gem h GLU 151 N 0.00 0.58 0.14 4.80 4.81 -1.24 -3.21 114.58 120.47 2gem h GLU 151 Ca 0.15 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2gem h GLU 151 Cb 0.76 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2gem h GLU 151 CO -0.00 1.04 -0.07 -0.09 -0.73 0.00 0.00 179.01 179.16 2gem h ARG 152 N 0.42 -0.18 -1.01 1.92 1.12 0.81 -3.19 114.38 114.27 2gem h ARG 152 Ca -0.02 0.01 0.37 0.00 -1.11 0.00 0.00 59.98 59.24 2gem h ARG 152 Cb 1.23 0.04 -0.16 0.00 -0.01 0.00 0.00 29.97 31.07 2gem h ARG 152 CO 0.12 0.19 0.57 -0.07 -3.11 0.00 0.00 179.97 177.67 2gem h LEU 153 N -0.60 0.41 -1.58 3.80 3.38 -1.10 1.27 115.31 120.89 2gem h LEU 153 Ca -0.02 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2gem h LEU 153 Cb 0.46 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2gem h LEU 153 CO 0.03 -0.29 0.00 0.11 0.09 0.00 0.00 178.44 178.39 2gem h LYS 154 N 0.16 0.00 0.00 1.13 1.57 -1.55 -1.76 116.57 116.12 2gem h LYS 154 Ca 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 2gem h LYS 154 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.30 2gem h LYS 154 CO -0.68 0.00 -0.79 1.04 -0.57 0.00 0.00 179.45 178.45 2gem n GLN 155 N -2.58 0.13 -2.47 3.15 6.02 0.43 -4.93 117.38 117.14 2gem n GLN 155 Ca -0.00 0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 2gem n GLN 155 Cb 0.14 -1.55 0.07 0.00 1.02 0.00 0.00 30.24 29.92 2gem n GLN 155 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gem s LEU 156 N -3.44 3.06 0.16 1.08 1.02 -0.66 -5.12 118.68 114.78 2gem s LEU 156 Ca 0.07 0.06 -0.17 0.00 0.02 0.00 0.00 54.13 54.12 2gem s LEU 156 Cb 0.16 -2.74 0.03 0.00 0.02 0.00 0.00 46.19 43.66 2gem s LEU 156 CO 0.77 -1.48 0.47 -0.94 0.02 0.00 0.00 176.35 175.20 2gem s SER 157 N -4.53 -0.26 0.00 2.29 1.04 -1.26 -4.92 113.70 106.05 2gem s SER 157 Ca 0.60 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2gem s SER 157 Cb -0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2gem s SER 157 CO 0.42 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2gem n GLY 158 N -0.30 -1.94 3.82 7.32 0.00 -1.26 -4.92 105.19 107.91 2gem n GLY 158 Ca -0.13 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 2gem n GLY 158 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gem s GLU 159 N 0.00 3.26 0.09 1.61 -1.05 -1.26 -2.83 118.70 118.52 2gem s GLU 159 Ca 0.00 -0.29 0.01 0.00 -0.15 0.00 0.00 54.97 54.54 2gem s GLU 159 Cb 0.00 -3.02 -0.04 0.00 -0.44 0.00 0.00 34.13 30.63 2gem s GLU 159 CO 0.00 0.72 -0.05 -1.58 0.95 0.00 0.00 175.26 175.31 2gem s TRP 160 N -1.06 0.80 -0.02 4.83 0.52 -0.28 -4.80 118.94 118.92 2gem s TRP 160 Ca 0.17 -0.98 -0.01 0.00 0.02 0.00 0.00 56.10 55.31 2gem s TRP 160 Cb -0.12 -0.49 -0.04 0.00 -1.15 0.00 0.00 33.47 31.68 2gem s TRP 160 CO 0.07 -0.24 0.06 0.00 0.02 0.00 0.00 176.95 176.86 2gem s ALA 161 N -3.74 3.50 -0.12 0.98 0.00 -0.40 0.65 121.76 122.63 2gem s ALA 161 Ca 0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2gem s ALA 161 Cb 0.06 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2gem s ALA 161 CO -0.06 0.66 0.03 0.95 0.00 0.00 0.00 175.76 177.34 2gem s THR 162 N -1.12 4.51 0.04 0.00 -4.23 0.77 -1.45 115.64 114.16 2gem s THR 162 Ca 0.20 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.56 2gem s THR 162 Cb -0.12 -2.94 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 2gem s THR 162 CO 0.11 0.57 -0.05 0.68 -0.54 0.00 0.00 174.62 175.38 2gem s VAL 163 N -0.52 0.32 0.00 2.29 -7.23 -0.80 -0.74 120.40 113.72 2gem s VAL 163 Ca 0.10 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2gem s VAL 163 Cb -0.12 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.24 2gem s VAL 163 CO 0.02 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 2gem n GLY 164 N 1.34 2.80 0.16 2.32 0.00 -0.45 -0.79 105.19 110.55 2gem n GLY 164 Ca -0.22 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.08 2gem n GLY 164 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2gem h THR 165 N 0.00 0.00 -0.35 2.61 1.35 -1.38 -3.26 112.91 111.88 2gem h THR 165 Ca 0.00 -0.35 0.04 0.00 -0.55 0.00 0.00 66.41 65.55 2gem h THR 165 Cb 0.00 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.58 2gem h THR 165 CO 0.00 0.00 0.23 1.23 -0.25 0.00 0.00 175.52 176.73 2gem h GLY 166 N 2.62 0.36 0.96 5.82 0.00 -0.23 -2.49 103.07 110.11 2gem h GLY 166 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 2gem h GLY 166 CO 0.00 0.10 -0.24 1.49 0.00 0.00 0.00 176.54 177.89 2gem h TRP 167 N 0.31 0.82 -0.01 5.60 4.06 -1.71 -1.81 115.95 123.21 2gem h TRP 167 Ca 0.15 -0.23 -0.10 0.00 2.06 0.00 0.00 58.89 60.77 2gem h TRP 167 Cb 0.19 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 2gem h TRP 167 CO -0.00 0.96 -0.46 0.77 -3.56 0.00 0.00 178.44 176.16 2gem h SER 168 N 0.44 0.01 0.35 -3.49 0.02 -1.73 -2.21 113.55 106.94 2gem h SER 168 Ca 0.05 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 2gem h SER 168 Cb 0.80 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2gem h SER 168 CO 0.06 0.47 -0.64 0.00 -1.14 0.00 0.00 176.83 175.58 2gem h ALA 169 N 1.53 0.77 -2.09 3.77 0.00 -1.34 -3.36 119.26 118.54 2gem h ALA 169 Ca -0.00 -0.57 -0.58 0.00 0.00 0.00 0.00 54.91 53.76 2gem h ALA 169 Cb 0.81 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.12 2gem h ALA 169 CO 0.06 0.75 -0.86 0.91 0.00 0.00 0.00 179.25 180.11 2gem n TRP 170 N -3.85 1.59 0.29 0.00 7.02 -0.69 -4.98 117.44 116.82 2gem n TRP 170 Ca -0.03 -3.85 0.11 0.00 -1.02 0.00 0.00 57.50 52.71 2gem n TRP 170 Cb 0.65 -0.45 0.52 0.00 -2.42 0.00 0.00 31.31 29.61 2gem n TRP 170 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 2gem h PRO 171 N 4.06 0.00 0.00 -0.99 0.13 -1.56 -1.50 132.00 132.14 2gem h PRO 171 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2gem h PRO 171 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2gem h PRO 171 CO 0.64 0.00 -0.20 -0.25 -0.23 0.00 0.00 178.00 177.96 2gem n ASP 172 N -2.83 0.46 0.01 1.44 10.43 -1.26 -3.89 116.55 120.90 2gem n ASP 172 Ca 0.00 0.32 -0.11 0.00 2.57 0.00 0.00 54.79 57.58 2gem n ASP 172 Cb 0.66 -0.33 -0.05 0.00 1.84 0.00 0.00 41.12 43.23 2gem n ASP 172 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2gem h LEU 173 N 0.00 -0.02 -0.03 0.64 3.38 -1.60 -1.45 115.31 116.22 2gem h LEU 173 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2gem h LEU 173 Cb 0.62 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2gem h LEU 173 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2gem n ALA 174 N -2.18 2.24 -0.04 1.53 0.00 -1.26 -3.74 120.51 117.06 2gem n ALA 174 Ca -0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 2gem n ALA 174 Cb 0.06 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 2gem n ALA 174 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2gem h LYS 175 N 0.00 -0.04 0.00 0.00 1.63 -1.48 -3.37 116.57 113.30 2gem h LYS 175 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2gem h LYS 175 Cb 0.59 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2gem h LYS 175 CO 0.00 0.28 0.00 -0.85 -3.45 0.00 0.00 179.45 175.43 2gem n GLU 176 N -4.76 0.19 -3.35 1.90 0.28 -0.62 -4.86 120.64 109.43 2gem n GLU 176 Ca -0.04 0.08 -0.33 0.00 -0.16 0.00 0.00 57.16 56.72 2gem n GLU 176 Cb 0.16 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.48 2gem n GLU 176 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2gem n GLY 178 N -0.01 1.26 3.91 0.00 0.00 -1.26 -4.92 105.19 104.17 2gem n GLY 178 Ca 0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 2gem n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gem s LEU 179 N -1.12 2.58 -0.58 0.99 1.43 -1.26 -4.95 118.68 115.76 2gem s LEU 179 Ca 0.24 0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 53.93 2gem s LEU 179 Cb 0.15 -3.19 0.15 0.00 0.03 0.00 0.00 46.19 43.33 2gem s LEU 179 CO 0.12 -1.88 0.47 -0.89 0.23 0.00 0.00 176.35 174.40 2gem s THR 180 N -3.52 4.51 -0.11 5.49 2.01 -1.13 -5.04 115.64 117.85 2gem s THR 180 Ca 0.62 -2.11 -0.11 0.00 0.31 0.00 0.00 61.69 60.40 2gem s THR 180 Cb -0.11 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2gem s THR 180 CO 0.48 -0.86 0.24 -0.76 -0.69 0.00 0.00 174.62 173.04 2gem s LEU 181 N 0.88 4.35 0.15 4.42 1.43 -1.26 -1.13 118.68 127.52 2gem s LEU 181 Ca 0.10 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 2gem s LEU 181 Cb -0.22 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2gem s LEU 181 CO -0.03 0.28 -0.09 -1.00 0.23 0.00 0.00 176.35 175.74 2gem s HIS 182 N -0.47 2.69 -0.38 0.29 3.76 0.21 -4.95 115.29 116.44 2gem s HIS 182 Ca 0.17 -0.19 -0.28 0.00 -0.15 0.00 0.00 55.06 54.60 2gem s HIS 182 Cb -0.13 -1.35 0.02 0.00 1.11 0.00 0.00 32.58 32.23 2gem s HIS 182 CO 0.05 0.48 1.05 0.34 -0.85 0.00 0.00 174.74 175.81 2gem s ASP 183 N -2.59 6.77 0.05 1.40 2.15 -1.26 -0.16 116.67 123.03 2gem s ASP 183 Ca 0.24 0.75 0.11 0.00 0.43 0.00 0.00 52.55 54.08 2gem s ASP 183 Cb -0.10 -2.52 0.50 0.00 -0.30 0.00 0.00 42.92 40.50 2gem s ASP 183 CO 0.15 -0.98 1.36 0.61 -0.17 0.00 0.00 175.17 176.14 2gem n GLY 184 N 4.30 -0.87 2.44 2.66 0.00 0.08 -4.78 105.19 109.01 2gem n GLY 184 Ca 0.11 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2gem n GLY 184 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gem n GLU 185 N -1.63 -1.67 -3.77 1.61 1.02 -1.26 -4.28 120.64 110.66 2gem n GLU 185 Ca 0.02 1.02 -0.22 0.00 -0.02 0.00 0.00 57.16 57.96 2gem n GLU 185 Cb 0.12 -5.61 -0.18 0.00 -0.02 0.00 0.00 31.44 25.75 2gem n GLU 185 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2gem s VAL 186 N -2.92 0.31 -0.16 2.62 1.01 -1.26 -4.97 120.40 115.04 2gem s VAL 186 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.21 2gem s VAL 186 Cb 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 36.38 35.75 2gem s VAL 186 CO 0.00 0.25 -0.04 -0.24 0.00 0.00 0.00 175.10 175.07 2gem n SER 187 N 5.11 1.97 -4.18 3.32 2.88 -1.26 -1.35 113.62 120.12 2gem n SER 187 Ca -0.07 -0.04 -0.16 0.00 -1.33 0.00 0.00 58.87 57.26 2gem n SER 187 Cb 0.50 0.39 -0.11 0.00 -0.75 0.00 0.00 64.21 64.23 2gem n SER 187 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2gem s LEU 188 N -5.45 2.35 0.58 2.46 1.43 -1.26 -3.02 118.68 115.77 2gem s LEU 188 Ca -0.14 -0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 52.06 2gem s LEU 188 Cb 0.05 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.83 2gem s LEU 188 CO 0.51 -0.18 1.11 -2.16 0.23 0.00 0.00 176.35 175.87 2gem s PRO 189 N -2.32 3.22 -0.05 1.29 0.04 -1.26 -4.93 135.00 130.99 2gem s PRO 189 Ca 0.02 1.50 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2gem s PRO 189 Cb -0.06 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2gem s PRO 189 CO 0.01 -0.93 -0.11 0.00 0.04 0.00 0.00 177.00 176.01 2gem s ALA 190 N -2.00 1.13 0.37 8.56 0.00 -1.26 -4.89 121.76 123.68 2gem s ALA 190 Ca 0.70 -0.38 0.12 0.00 0.00 0.00 0.00 51.96 52.40 2gem s ALA 190 Cb -0.22 -0.49 0.92 0.00 0.00 0.00 0.00 23.12 23.33 2gem s ALA 190 CO 0.31 0.12 1.84 0.00 0.00 0.00 0.00 175.76 178.03 2gem h ALA 191 N 6.80 1.97 -0.09 0.00 0.00 -1.88 0.19 119.26 126.26 2gem h ALA 191 Ca -0.33 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2gem h ALA 191 Cb 1.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2gem h ALA 191 CO 0.48 -0.27 0.10 1.05 0.00 0.00 0.00 179.25 180.61 2gem h GLU 192 N 0.58 0.00 0.00 0.00 4.11 -1.92 -0.11 114.58 117.24 2gem h GLU 192 Ca 0.50 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.89 2gem h GLU 192 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2gem h GLU 192 CO -0.24 0.00 -0.57 -0.44 0.07 0.00 0.00 179.01 177.84 2gem h ASP 193 N 0.00 0.00 0.31 3.06 3.32 -0.95 -3.28 116.42 118.89 2gem h ASP 193 Ca 0.04 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 2gem h ASP 193 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2gem h ASP 193 CO -0.00 0.12 -0.48 0.24 -1.72 0.00 0.00 179.24 177.40 2gem h MET 194 N 0.00 0.20 0.06 3.56 2.86 -0.91 -3.34 114.93 117.37 2gem h MET 194 Ca -0.02 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2gem h MET 194 Cb 1.11 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.73 2gem h MET 194 CO 0.01 0.65 -0.34 -0.07 1.06 0.00 0.00 176.91 178.22 2gem h LEU 195 N 0.16 -1.01 -0.83 1.22 3.38 -1.59 0.41 115.31 117.07 2gem h LEU 195 Ca 0.01 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.21 2gem h LEU 195 Cb 0.92 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 2gem h LEU 195 CO 0.07 -0.41 0.45 -0.65 0.09 0.00 0.00 178.44 177.99 2gem h PRO 196 N -0.53 0.70 -0.40 1.13 0.11 -1.76 0.97 132.00 132.21 2gem h PRO 196 Ca 0.04 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 2gem h PRO 196 Cb 0.59 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2gem h PRO 196 CO -0.24 0.46 -0.30 0.82 -0.21 0.00 0.00 178.00 178.54 2gem h ILE 197 N 0.72 1.27 -0.46 4.15 2.04 -1.56 -2.32 117.51 121.35 2gem h ILE 197 Ca 0.42 -1.46 -0.13 0.00 1.00 0.00 0.00 64.86 64.69 2gem h ILE 197 Cb 0.46 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2gem h ILE 197 CO -0.29 0.49 -0.21 0.00 0.00 0.00 0.00 178.15 178.14 2gem h ALA 198 N 0.91 0.75 -0.21 1.87 0.00 0.11 -2.28 119.26 120.42 2gem h ALA 198 Ca 0.08 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2gem h ALA 198 Cb 0.86 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2gem h ALA 198 CO 0.08 0.66 -0.11 1.03 0.00 0.00 0.00 179.25 180.91 2gem h SER 199 N 0.81 -0.36 -0.09 0.00 0.87 0.12 0.15 113.55 115.05 2gem h SER 199 Ca 0.11 0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 2gem h SER 199 Cb 0.77 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2gem h SER 199 CO 0.06 -0.14 -0.21 0.06 -0.53 0.00 0.00 176.83 176.07 2gem h GLN 200 N -0.09 0.50 -0.20 2.24 3.07 -1.33 -1.53 115.11 117.77 2gem h GLN 200 Ca 0.11 -0.17 -0.14 0.00 0.09 0.00 0.00 58.65 58.54 2gem h GLN 200 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 2gem h GLN 200 CO -0.26 0.68 -0.48 0.87 0.09 0.00 0.00 178.83 179.73 2gem h LYS 201 N 0.45 0.51 -0.50 0.06 1.57 -0.83 -1.83 116.57 116.01 2gem h LYS 201 Ca 0.07 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2gem h LYS 201 Cb 0.61 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2gem h LYS 201 CO 0.04 0.88 0.18 1.25 -0.57 0.00 0.00 179.45 181.23 2gem h LEU 202 N 0.41 0.70 -1.65 2.94 6.46 -0.35 0.22 115.31 124.03 2gem h LEU 202 Ca 0.02 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 2gem h LEU 202 Cb 0.99 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 2gem h LEU 202 CO 0.09 0.69 0.24 0.00 -0.62 0.00 0.00 178.44 178.84 2gem h ALA 203 N 1.03 1.75 -0.07 1.25 0.00 -1.01 0.14 119.26 122.34 2gem h ALA 203 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2gem h ALA 203 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2gem h ALA 203 CO -0.01 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2gem n ALA 204 N -2.48 2.56 -1.24 0.00 0.00 -0.71 -4.94 120.51 113.70 2gem n ALA 204 Ca 0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 2gem n ALA 204 Cb 0.06 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 2gem n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gem n GLY 205 N 1.15 1.00 3.48 0.00 0.00 0.47 -4.95 105.19 106.35 2gem n GLY 205 Ca 0.18 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 2gem n GLY 205 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gem n GLU 206 N -2.50 3.33 -4.62 1.61 1.02 0.56 -4.92 120.64 115.11 2gem n GLU 206 Ca -0.08 -3.72 -0.28 0.00 -0.02 0.00 0.00 57.16 53.05 2gem n GLU 206 Cb 0.30 -3.14 -0.10 0.00 -0.02 0.00 0.00 31.44 28.48 2gem n GLU 206 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2gem s THR 207 N 2.12 1.59 0.03 2.62 -4.23 -1.26 -4.61 115.64 111.91 2gem s THR 207 Ca 0.45 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 2gem s THR 207 Cb -0.01 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 2gem s THR 207 CO 0.02 0.00 0.01 0.68 -0.54 0.00 0.00 174.62 174.79 2gem s VAL 208 N -2.87 0.14 0.63 2.29 -7.23 0.18 -4.94 120.40 108.60 2gem s VAL 208 Ca 0.27 -1.14 -0.14 0.00 -1.81 0.00 0.00 61.98 59.17 2gem s VAL 208 Cb 0.07 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.29 2gem s VAL 208 CO 0.14 -0.63 1.05 0.00 -0.31 0.00 0.00 175.10 175.35 2gem s ALA 209 N -2.26 2.77 0.26 1.32 0.00 -1.26 -0.77 121.76 121.82 2gem s ALA 209 Ca -0.08 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 2gem s ALA 209 Cb -0.04 -3.19 0.55 0.00 0.00 0.00 0.00 23.12 20.44 2gem s ALA 209 CO -0.04 -0.90 1.70 0.28 0.00 0.00 0.00 175.76 176.80 2gem h VAL 210 N 0.01 0.55 0.00 0.00 2.07 -1.95 0.11 116.25 117.03 2gem h VAL 210 Ca -0.46 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2gem h VAL 210 Cb 1.21 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2gem h VAL 210 CO 0.58 0.07 0.00 -1.84 0.02 0.00 0.00 177.57 176.40 2gem n GLU 211 N -5.07 0.03 0.00 1.57 0.00 -1.26 -2.35 120.64 113.56 2gem n GLU 211 Ca 0.17 0.27 0.09 0.00 0.00 0.00 0.00 57.16 57.69 2gem n GLU 211 Cb 0.51 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.50 2gem n GLU 211 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2gem n HIS 212 N -1.46 0.00 -2.44 -1.84 8.25 0.38 -4.91 115.22 113.20 2gem n HIS 212 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 2gem n HIS 212 Cb 0.13 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 2gem n HIS 212 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gem s ALA 213 N -1.70 3.21 0.05 -1.41 0.00 -0.99 -4.92 121.76 116.00 2gem s ALA 213 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 2gem s ALA 213 Cb 0.15 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 2gem s ALA 213 CO 0.29 -2.08 0.03 -1.83 0.00 0.00 0.00 175.76 172.17 2gem s GLU 214 N 4.48 0.63 0.49 0.00 -1.05 -1.26 -5.03 118.70 116.97 2gem s GLU 214 Ca 0.56 -1.07 -0.22 0.00 -0.15 0.00 0.00 54.97 54.09 2gem s GLU 214 Cb -0.13 0.23 -0.07 0.00 -0.44 0.00 0.00 34.13 33.72 2gem s GLU 214 CO 0.28 -0.14 1.18 -2.14 0.95 0.00 0.00 175.26 175.39 2gem s PRO 215 N -3.59 3.56 0.42 -4.83 0.02 -1.26 -4.88 135.00 124.45 2gem s PRO 215 Ca 0.04 1.79 -0.24 0.00 0.02 0.00 0.00 61.00 62.61 2gem s PRO 215 Cb 0.05 -2.28 -0.08 0.00 0.02 0.00 0.00 34.50 32.21 2gem s PRO 215 CO -0.09 -0.72 1.17 0.54 -0.33 0.00 0.00 177.00 177.57 2gem s VAL 216 N -1.57 3.13 -0.23 3.83 0.11 -0.45 -5.02 120.40 120.21 2gem s VAL 216 Ca 0.67 0.91 -0.03 0.00 -2.93 0.00 0.00 61.98 60.60 2gem s VAL 216 Cb -0.29 -3.49 0.01 0.00 -1.53 0.00 0.00 36.38 31.08 2gem s VAL 216 CO 0.34 0.04 -0.06 -0.31 -3.33 0.00 0.00 175.10 171.78 2gem s TYR 217 N -1.47 2.99 -0.24 1.54 2.02 -1.26 -4.82 117.35 116.10 2gem s TYR 217 Ca 0.60 -1.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.05 2gem s TYR 217 Cb -0.30 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.20 2gem s TYR 217 CO 0.37 -0.65 0.56 1.28 -1.57 0.00 0.00 175.55 175.54