#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 0.79 -0.04 3.17 0.52 -1.26 -2.72 118.95 119.40 2gem s ARG 2 Ca 0.00 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 2gem s ARG 2 Cb 0.00 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.74 2gem s ARG 2 CO 0.00 0.19 -0.09 0.42 0.02 0.00 0.00 175.30 175.84 2gem s ILE 3 N -0.66 0.82 -0.19 1.52 1.01 -0.83 0.00 121.20 122.88 2gem s ILE 3 Ca 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 2gem s ILE 3 Cb -0.06 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 2gem s ILE 3 CO 0.00 0.28 0.07 -0.22 0.00 0.00 0.00 174.94 175.07 2gem s LEU 4 N 0.58 3.76 -0.07 2.97 2.96 -0.32 -0.51 118.68 128.05 2gem s LEU 4 Ca -0.10 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 2gem s LEU 4 Cb -0.13 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2gem s LEU 4 CO 0.02 0.14 -0.08 0.00 -1.32 0.00 0.00 176.35 175.10 2gem s ALA 5 N 0.57 2.92 -0.06 5.97 0.00 0.16 0.71 121.76 132.03 2gem s ALA 5 Ca 0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 2gem s ALA 5 Cb -0.13 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 21.84 2gem s ALA 5 CO 0.01 0.56 0.11 0.42 0.00 0.00 0.00 175.76 176.87 2gem s ILE 6 N -0.77 -0.08 -0.03 0.00 1.01 -0.12 -1.45 121.20 119.77 2gem s ILE 6 Ca 0.12 0.22 0.01 0.00 0.00 0.00 0.00 60.65 61.00 2gem s ILE 6 Cb -0.11 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.17 2gem s ILE 6 CO 0.01 0.09 -0.03 -0.62 0.00 0.00 0.00 174.94 174.39 2gem s ASP 7 N 1.34 0.68 0.00 3.58 -1.08 -0.48 -2.14 116.67 118.57 2gem s ASP 7 Ca -0.07 -0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.07 2gem s ASP 7 Cb -0.12 -0.28 0.32 0.00 -1.46 0.00 0.00 42.92 41.39 2gem s ASP 7 CO -0.05 -0.04 1.12 0.35 0.52 0.00 0.00 175.17 177.07 2gem n THR 8 N 3.77 0.00 0.16 1.71 -2.24 -1.26 -1.46 114.28 114.97 2gem n THR 8 Ca -0.23 -0.76 0.02 0.00 -2.27 0.00 0.00 64.05 60.81 2gem n THR 8 Cb 0.53 0.87 0.26 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.76 1.06 -3.00 6.98 0.00 -1.77 -3.22 119.26 120.06 2gem h ALA 9 Ca -0.26 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2gem h ALA 9 Cb 1.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2gem h ALA 9 CO 0.03 0.62 0.00 0.25 0.00 0.00 0.00 179.25 180.15 2gem n THR 10 N -3.78 0.00 0.29 0.00 -2.24 -1.26 0.82 114.28 108.11 2gem n THR 10 Ca -0.01 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.94 2gem n THR 10 Cb 0.54 0.00 0.82 0.00 -2.10 0.00 0.00 70.33 69.59 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 -6.30 -0.78 3.07 -1.94 -3.43 114.58 105.20 2gem h GLU 11 Ca 0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 2gem h GLU 11 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2gem h GLU 11 CO 0.00 0.04 -0.18 0.00 -1.40 0.00 0.00 179.01 177.47 2gem s ALA 12 N -3.88 3.65 -0.03 3.43 0.00 -1.26 0.51 121.76 124.17 2gem s ALA 12 Ca -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2gem s ALA 12 Cb 0.11 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.88 2gem s ALA 12 CO 0.52 0.54 -0.07 0.00 0.00 0.00 0.00 175.76 176.75 2gem s SER 14 N 0.43 -0.36 0.01 0.00 1.04 -0.53 -2.58 113.70 111.70 2gem s SER 14 Ca -0.06 -0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 2gem s SER 14 Cb -0.10 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2gem s SER 14 CO 0.00 -1.07 0.04 -0.69 0.98 0.00 0.00 173.24 172.51 2gem s VAL 15 N -3.84 0.08 -0.16 5.02 1.01 -0.67 -1.38 120.40 120.47 2gem s VAL 15 Ca 0.06 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 2gem s VAL 15 Cb -0.02 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.12 2gem s VAL 15 CO -0.05 -0.37 0.42 0.00 0.00 0.00 0.00 175.10 175.10 2gem s ALA 16 N -1.16 -1.04 -0.15 5.51 0.00 -0.52 -0.47 121.76 123.93 2gem s ALA 16 Ca -0.13 1.20 -0.00 0.00 0.00 0.00 0.00 51.96 53.03 2gem s ALA 16 Cb -0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 2gem s ALA 16 CO 0.00 -0.20 -0.13 -1.17 0.00 0.00 0.00 175.76 174.26 2gem s LEU 17 N 0.28 2.63 -0.24 0.00 2.96 0.77 0.36 118.68 125.44 2gem s LEU 17 Ca -0.01 -0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 2gem s LEU 17 Cb -0.03 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 2gem s LEU 17 CO -0.00 0.12 0.14 0.86 -1.32 0.00 0.00 176.35 176.15 2gem s TRP 18 N 0.64 3.25 -0.42 5.38 -0.11 0.33 -1.74 118.94 126.27 2gem s TRP 18 Ca -0.07 0.08 0.02 0.00 1.22 0.00 0.00 56.10 57.34 2gem s TRP 18 Cb -0.16 -2.27 0.13 0.00 -1.50 0.00 0.00 33.47 29.67 2gem s TRP 18 CO 0.03 -0.05 0.21 1.21 -4.62 0.00 0.00 176.95 173.73 2gem s ASN 19 N 1.25 3.74 -1.35 5.86 3.84 0.45 -1.96 114.94 126.77 2gem s ASN 19 Ca 0.07 -2.49 -0.12 0.00 0.21 0.00 0.00 52.86 50.52 2gem s ASN 19 Cb -0.14 -1.04 0.01 0.00 -0.55 0.00 0.00 41.25 39.53 2gem s ASN 19 CO 0.06 -0.29 0.44 0.59 -2.79 0.00 0.00 177.10 175.10 2gem n ASN 20 N 3.72 -1.76 0.00 -4.21 3.02 -1.10 -0.89 115.26 114.03 2gem n ASN 20 Ca 0.07 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 2gem n ASN 20 Cb 0.35 -2.39 0.00 0.00 -0.61 0.00 0.00 39.78 37.13 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 -2.12 2.43 3.69 7.41 0.00 -1.26 -5.00 105.19 110.34 2gem n GLY 21 Ca -0.23 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2gem n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gem s THR 22 N -0.44 2.74 -0.04 2.61 2.01 -0.07 -4.98 115.64 117.47 2gem s THR 22 Ca 0.00 0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.25 2gem s THR 22 Cb 0.00 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2gem s THR 22 CO 0.00 -0.00 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.12 2gem s ILE 23 N 2.81 2.76 -0.23 1.82 -1.09 -1.26 -0.41 121.20 125.60 2gem s ILE 23 Ca 0.79 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 2gem s ILE 23 Cb -0.44 -2.06 0.06 0.00 -1.58 0.00 0.00 42.46 38.45 2gem s ILE 23 CO 0.35 0.58 -0.03 0.21 -1.23 0.00 0.00 174.94 174.82 2gem s ASN 24 N -0.73 3.75 0.07 3.58 2.47 -0.71 -4.98 114.94 118.40 2gem s ASN 24 Ca 0.11 -1.17 0.05 0.00 0.42 0.00 0.00 52.86 52.27 2gem s ASN 24 Cb -0.10 -1.10 -0.03 0.00 -1.45 0.00 0.00 41.25 38.57 2gem s ASN 24 CO 0.00 -0.26 -0.14 0.00 -3.72 0.00 0.00 177.10 172.99 2gem s ALA 25 N 1.45 1.14 -0.05 1.71 0.00 -1.26 -0.17 121.76 124.59 2gem s ALA 25 Ca -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2gem s ALA 25 Cb -0.19 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2gem s ALA 25 CO -0.07 0.14 -0.07 -1.58 0.00 0.00 0.00 175.76 174.18 2gem s HIS 26 N -1.36 1.03 -0.01 0.00 2.46 0.38 -5.00 115.29 112.80 2gem s HIS 26 Ca -0.02 -0.35 0.01 0.00 0.47 0.00 0.00 55.06 55.18 2gem s HIS 26 Cb -0.10 -0.84 -0.00 0.00 -0.13 0.00 0.00 32.58 31.52 2gem s HIS 26 CO 0.02 -0.24 -0.05 0.12 -2.47 0.00 0.00 174.74 172.13 2gem s PHE 27 N 0.87 0.45 -0.02 3.88 2.19 -1.26 -1.68 117.98 122.41 2gem s PHE 27 Ca -0.12 -0.08 -0.29 0.00 0.33 0.00 0.00 56.93 56.77 2gem s PHE 27 Cb -0.15 -0.31 0.11 0.00 -1.31 0.00 0.00 43.02 41.36 2gem s PHE 27 CO 0.01 -0.02 0.92 -1.83 1.83 0.00 0.00 175.22 176.13 2gem s GLU 28 N -0.03 0.77 0.29 10.12 -1.05 -1.07 -5.04 118.70 122.69 2gem s GLU 28 Ca 0.01 -0.27 -0.28 0.00 -0.15 0.00 0.00 54.97 54.27 2gem s GLU 28 Cb -0.03 0.36 -0.09 0.00 -0.44 0.00 0.00 34.13 33.92 2gem s GLU 28 CO -0.00 -0.34 0.99 -0.51 0.95 0.00 0.00 175.26 176.36 2gem s LEU 29 N -2.42 4.50 0.00 1.83 1.43 -1.26 -1.34 118.68 121.42 2gem s LEU 29 Ca 0.05 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2gem s LEU 29 Cb -0.01 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2gem s LEU 29 CO -0.08 -0.04 0.00 0.00 0.23 0.00 0.00 176.35 176.46 2gem n GLU 33 N 0.00 -0.24 0.00 0.00 4.07 -1.26 -4.95 120.64 118.26 2gem n GLU 33 Ca 0.00 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 2gem n GLU 33 Cb 0.00 -0.36 0.00 0.00 -0.06 0.00 0.00 31.44 31.02 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 0.40 0.00 0.00 4.31 8.25 -1.26 -4.61 115.22 122.31 2gem n HIS 34 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2gem n HIS 34 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 0.00 0.00 -0.48 1.59 5.66 -1.26 -1.07 114.28 118.72 2gem n THR 35 Ca 0.00 0.00 0.41 0.00 -3.05 0.00 0.00 64.05 61.41 2gem n THR 35 Cb 0.00 0.00 0.74 0.00 -1.55 0.00 0.00 70.33 69.52 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 0.05 0.00 1.09 4.20 -2.03 0.21 115.11 118.62 2gem h GLN 36 Ca 0.00 -0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 2gem h GLN 36 Cb 0.00 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2gem h GLN 36 CO 0.00 0.03 -1.43 0.00 -0.67 0.00 0.00 178.83 176.76 2gem h ARG 37 N 0.05 0.00 0.04 1.46 2.47 -1.39 -3.40 114.38 113.62 2gem h ARG 37 Ca 0.75 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.47 2gem h ARG 37 Cb 2.79 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 31.09 2gem h ARG 37 CO -0.12 0.56 -0.19 0.82 0.56 0.00 0.00 179.97 181.61 2gem h ILE 38 N 0.00 0.00 -0.66 2.04 5.03 -1.14 -1.88 117.51 120.90 2gem h ILE 38 Ca -0.19 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.67 2gem h ILE 38 Cb 1.85 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 35.51 2gem h ILE 38 CO 0.08 0.00 -0.31 -0.07 -0.68 0.00 0.00 178.15 177.18 2gem h LEU 39 N -0.27 -1.08 -0.98 1.44 -0.00 -1.78 0.27 115.31 112.91 2gem h LEU 39 Ca -0.00 0.23 0.02 0.00 -0.00 0.00 0.00 57.88 58.14 2gem h LEU 39 Cb 0.27 0.56 -0.05 0.00 -0.00 0.00 0.00 40.66 41.44 2gem h LEU 39 CO -0.10 -0.29 0.64 1.55 -0.00 0.00 0.00 178.44 180.24 2gem h PRO 40 N -0.11 1.24 0.34 1.13 0.13 -1.74 0.94 132.00 133.93 2gem h PRO 40 Ca 0.27 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.31 2gem h PRO 40 Cb 0.55 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 31.41 2gem h PRO 40 CO -0.72 0.82 -0.16 0.52 -0.23 0.00 0.00 178.00 178.22 2gem h MET 41 N 1.28 -0.44 -0.17 0.86 2.86 -0.05 0.48 114.93 119.74 2gem h MET 41 Ca 0.38 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 58.10 2gem h MET 41 Cb -0.07 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 2gem h MET 41 CO -0.10 -0.25 -0.32 0.28 1.06 0.00 0.00 176.91 177.58 2gem h VAL 42 N -0.54 0.28 -0.70 -2.22 2.07 -0.25 0.16 116.25 115.05 2gem h VAL 42 Ca -0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2gem h VAL 42 Cb 0.40 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2gem h VAL 42 CO 0.08 0.00 0.46 1.56 0.02 0.00 0.00 177.57 179.69 2gem h GLN 43 N -0.38 0.90 0.33 1.57 4.20 -0.68 -0.79 115.11 120.27 2gem h GLN 43 Ca 0.11 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2gem h GLN 43 Cb 0.54 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2gem h GLN 43 CO -0.38 0.60 -0.16 0.93 -0.67 0.00 0.00 178.83 179.15 2gem h GLU 44 N 0.93 -0.42 -0.67 1.46 5.08 0.15 -1.76 114.58 119.34 2gem h GLU 44 Ca 0.26 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2gem h GLU 44 Cb -0.08 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2gem h GLU 44 CO -0.06 -0.26 0.43 0.82 -1.00 0.00 0.00 179.01 178.94 2gem h ILE 45 N -0.48 1.12 -0.79 3.13 5.03 -0.36 0.22 117.51 125.38 2gem h ILE 45 Ca -0.05 -0.29 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 2gem h ILE 45 Cb 0.36 0.19 -0.04 0.00 -3.03 0.00 0.00 36.82 34.31 2gem h ILE 45 CO 0.07 0.16 0.45 -0.07 -0.68 0.00 0.00 178.15 178.07 2gem h LEU 46 N 0.85 0.98 -0.27 1.44 3.38 -1.04 -1.23 115.31 119.42 2gem h LEU 46 Ca 0.26 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 2gem h LEU 46 Cb -0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2gem h LEU 46 CO -0.09 0.79 -0.80 0.00 0.09 0.00 0.00 178.44 178.43 2gem h ALA 47 N 1.23 0.45 0.98 1.53 0.00 -0.97 0.68 119.26 123.16 2gem h ALA 47 Ca 0.28 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2gem h ALA 47 Cb 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2gem h ALA 47 CO -0.05 0.74 -0.47 0.00 0.00 0.00 0.00 179.25 179.48 2gem h ALA 48 N 0.77 -1.32 0.00 0.00 0.00 -0.68 -2.03 119.26 116.00 2gem h ALA 48 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2gem h ALA 48 Cb 1.40 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2gem h ALA 48 CO 0.15 -1.24 0.00 -1.13 0.00 0.00 0.00 179.25 177.03 2gem n SER 49 N -5.66 0.00 -3.24 0.00 3.41 -0.49 -4.87 113.62 102.77 2gem n SER 49 Ca -0.17 0.27 -0.18 0.00 -0.26 0.00 0.00 58.87 58.53 2gem n SER 49 Cb 0.52 -0.39 0.08 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.23 -0.34 3.45 5.00 0.00 -0.23 -5.01 105.19 108.30 2gem n GLY 50 Ca 0.06 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.31 2.60 -0.02 4.61 0.00 0.22 -5.00 121.76 120.86 2gem s ALA 51 Ca 0.23 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2gem s ALA 51 Cb -0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2gem s ALA 51 CO 0.66 0.45 0.00 0.45 0.00 0.00 0.00 175.76 177.32 2gem s SER 52 N -2.66 5.16 0.27 0.00 0.15 -1.26 -4.48 113.70 110.88 2gem s SER 52 Ca 0.21 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2gem s SER 52 Cb -0.08 -1.38 0.52 0.00 -1.71 0.00 0.00 66.02 63.37 2gem s SER 52 CO 0.11 0.31 1.83 0.25 1.20 0.00 0.00 173.24 176.93 2gem h LEU 53 N 4.56 0.86 -1.76 3.45 7.12 -1.97 -1.03 115.31 126.54 2gem h LEU 53 Ca -0.49 0.05 0.08 0.00 0.13 0.00 0.00 57.88 57.65 2gem h LEU 53 Cb 1.18 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 41.16 2gem h LEU 53 CO 0.57 0.46 0.32 0.78 -0.13 0.00 0.00 178.44 180.43 2gem h ASN 54 N 0.94 0.25 0.45 1.25 2.35 -1.95 -2.81 115.58 116.06 2gem h ASN 54 Ca 0.48 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.98 2gem h ASN 54 Cb 0.48 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.80 2gem h ASN 54 CO -0.27 0.16 -1.12 -0.33 -1.65 0.00 0.00 177.43 174.23 2gem h GLU 55 N 0.29 0.37 -6.45 0.81 5.08 -1.55 -3.47 114.58 109.65 2gem h GLU 55 Ca 0.21 -0.50 -0.58 0.00 -1.00 0.00 0.00 59.36 57.50 2gem h GLU 55 Cb 0.48 0.17 0.18 0.00 0.50 0.00 0.00 28.75 30.07 2gem h GLU 55 CO -0.05 1.19 -0.60 -0.89 -1.00 0.00 0.00 179.01 177.66 2gem n ILE 56 N -3.66 1.57 -0.01 3.13 5.41 -1.06 -4.87 119.36 119.88 2gem n ILE 56 Ca -0.08 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.21 2gem n ILE 56 Cb 0.94 -0.55 -0.12 0.00 -0.71 0.00 0.00 39.64 39.20 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 0.70 0.46 -3.58 4.38 9.92 0.10 -4.96 116.55 123.57 2gem n ASP 57 Ca 0.10 0.20 -0.14 0.00 -0.53 0.00 0.00 54.79 54.42 2gem n ASP 57 Cb 0.49 0.78 -0.06 0.00 -0.64 0.00 0.00 41.12 41.69 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 -2.97 -1.84 -0.29 2.24 0.00 -1.11 -4.32 121.76 113.48 2gem s ALA 58 Ca -0.06 1.67 -0.08 0.00 0.00 0.00 0.00 51.96 53.50 2gem s ALA 58 Cb 0.09 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 2gem s ALA 58 CO 0.84 -0.32 0.09 -1.17 0.00 0.00 0.00 175.76 175.19 2gem s LEU 59 N -0.47 3.79 -0.15 0.00 0.20 -0.37 -1.18 118.68 120.50 2gem s LEU 59 Ca -0.03 -0.53 -0.15 0.00 0.69 0.00 0.00 54.13 54.10 2gem s LEU 59 Cb -0.02 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 2gem s LEU 59 CO 0.03 -0.15 0.37 0.00 -0.29 0.00 0.00 176.35 176.30 2gem s ALA 60 N 1.56 3.55 0.00 5.97 0.00 0.22 -1.38 121.76 131.68 2gem s ALA 60 Ca 0.04 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.70 2gem s ALA 60 Cb -0.17 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 2gem s ALA 60 CO 0.03 0.03 -0.21 -0.59 0.00 0.00 0.00 175.76 175.03 2gem s PHE 61 N 0.59 1.85 -0.34 0.00 -0.12 -0.32 -0.94 117.98 118.71 2gem s PHE 61 Ca 0.20 -0.36 -0.29 0.00 -0.05 0.00 0.00 56.93 56.43 2gem s PHE 61 Cb -0.14 -1.17 -0.01 0.00 -0.63 0.00 0.00 43.02 41.08 2gem s PHE 61 CO 0.06 0.01 1.57 0.20 -0.05 0.00 0.00 175.22 177.01 2gem s GLY 62 N -0.70 1.04 0.00 1.99 0.00 -0.91 -0.95 107.32 107.78 2gem s GLY 62 Ca 0.08 0.12 0.27 0.00 0.00 0.00 0.00 44.72 45.19 2gem s GLY 62 CO 0.00 2.97 1.89 -0.96 0.00 0.00 0.00 173.10 177.00 2gem n ARG 63 N 8.07 1.33 0.00 2.90 1.85 -0.46 -4.79 116.66 125.56 2gem n ARG 63 Ca 0.19 -0.49 0.00 0.00 -1.00 0.00 0.00 57.85 56.55 2gem n ARG 63 Cb 0.47 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 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 1.05 -1.81 3.77 2.89 0.00 -1.26 -1.07 105.19 108.77 2gem n GLY 64 Ca 0.20 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 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 2.29 0.00 1.61 0.04 -1.26 -1.00 135.00 136.68 2gem s PRO 65 Ca 0.00 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.12 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 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.86 2gem n GLY 66 N -1.37 -0.82 3.66 0.56 0.00 -1.26 -4.72 105.19 101.24 2gem n GLY 66 Ca 0.09 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 6.54 0.28 1.61 0.15 0.24 -4.85 113.70 113.68 2gem s SER 67 Ca 0.00 2.49 0.02 0.00 0.70 0.00 0.00 55.95 59.15 2gem s SER 67 Cb 0.00 -2.53 0.64 0.00 -1.71 0.00 0.00 66.02 62.42 2gem s SER 67 CO 0.00 -1.00 1.74 0.15 1.20 0.00 0.00 173.24 175.33 2gem h PHE 68 N 10.12 0.75 0.19 3.44 3.57 -1.98 0.13 116.94 133.15 2gem h PHE 68 Ca -0.45 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 60.84 2gem h PHE 68 Cb 1.21 -0.20 0.03 0.00 2.79 0.00 0.00 35.95 39.78 2gem h PHE 68 CO 0.93 0.09 -1.09 1.15 -2.23 0.00 0.00 178.31 177.15 2gem h THR 69 N 0.54 1.41 -0.42 4.41 2.02 -1.96 -3.25 112.91 115.67 2gem h THR 69 Ca 0.52 -2.59 0.04 0.00 0.77 0.00 0.00 66.41 65.15 2gem h THR 69 Cb 0.86 3.11 -0.04 0.00 -1.74 0.00 0.00 68.15 70.34 2gem h THR 69 CO -0.43 0.75 0.19 1.23 0.37 0.00 0.00 175.52 177.63 2gem h GLY 70 N -0.13 0.56 0.88 2.16 0.00 -1.52 -2.29 103.07 102.73 2gem h GLY 70 Ca -0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2gem h GLY 70 CO 0.21 0.08 0.05 -0.24 0.00 0.00 0.00 176.54 176.63 2gem h VAL 71 N 0.38 1.23 -0.20 4.60 3.04 -0.80 -2.66 116.25 121.85 2gem h VAL 71 Ca 0.18 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 2gem h VAL 71 Cb 0.12 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 2gem h VAL 71 CO -0.15 0.25 0.13 0.03 -1.01 0.00 0.00 177.57 176.82 2gem h ARG 72 N 0.26 0.26 -0.06 4.17 3.08 -1.56 -1.88 114.38 118.65 2gem h ARG 72 Ca 0.08 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2gem h ARG 72 Cb 0.32 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2gem h ARG 72 CO 0.00 0.17 -0.10 0.82 -1.07 0.00 0.00 179.97 179.80 2gem h ILE 73 N 0.26 1.40 -0.89 2.04 1.08 -1.25 -2.54 117.51 117.62 2gem h ILE 73 Ca 0.07 -1.36 0.01 0.00 -0.39 0.00 0.00 64.86 63.20 2gem h ILE 73 Cb -0.03 2.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.84 2gem h ILE 73 CO -0.01 0.37 0.59 1.23 -0.69 0.00 0.00 178.15 179.64 2gem h GLY 74 N -0.30 1.26 1.25 5.37 0.00 -1.12 -2.58 103.07 106.95 2gem h GLY 74 Ca 0.01 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 2gem h GLY 74 CO 0.02 0.45 -0.12 -2.22 0.00 0.00 0.00 176.54 174.67 2gem h ILE 75 N 1.20 1.26 -0.53 2.60 2.04 -1.40 -1.25 117.51 121.43 2gem h ILE 75 Ca 0.33 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2gem h ILE 75 Cb -0.13 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2gem h ILE 75 CO -0.07 0.43 0.35 1.23 0.00 0.00 0.00 178.15 180.08 2gem h GLY 76 N 0.96 0.75 1.38 5.37 0.00 -1.08 0.43 103.07 110.88 2gem h GLY 76 Ca 0.13 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 2gem h GLY 76 CO 0.04 0.28 -0.25 -2.22 0.00 0.00 0.00 176.54 174.40 2gem h ILE 77 N 0.72 1.27 -0.37 2.60 2.04 -1.36 -1.70 117.51 120.70 2gem h ILE 77 Ca 0.19 -1.35 -0.10 0.00 1.00 0.00 0.00 64.86 64.60 2gem h ILE 77 Cb -0.07 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2gem h ILE 77 CO -0.04 0.45 -0.17 0.00 0.00 0.00 0.00 178.15 178.38 2gem h ALA 78 N 1.11 0.52 -0.43 1.87 0.00 -0.72 -0.82 119.26 120.80 2gem h ALA 78 Ca 0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2gem h ALA 78 Cb 0.74 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2gem h ALA 78 CO 0.06 0.45 0.10 1.96 0.00 0.00 0.00 179.25 181.83 2gem h GLN 79 N 0.57 0.63 -0.12 0.00 4.20 -0.01 0.08 115.11 120.47 2gem h GLN 79 Ca 0.08 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2gem h GLN 79 Cb 0.71 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2gem h GLN 79 CO 0.05 0.58 -0.09 0.78 -0.67 0.00 0.00 178.83 179.48 2gem h GLY 80 N 0.84 0.29 1.01 3.46 0.00 -1.00 0.18 103.07 107.84 2gem h GLY 80 Ca 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2gem h GLY 80 CO -0.00 0.25 0.39 1.41 0.00 0.00 0.00 176.54 178.59 2gem h LEU 81 N -0.11 0.90 -0.16 3.11 3.38 -0.90 -1.65 115.31 119.87 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 0.59 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.11 2gem h LEU 81 CO 0.02 0.74 -0.60 0.00 0.09 0.00 0.00 178.44 178.69 2gem h ALA 82 N 1.20 0.29 -0.32 1.53 0.00 -0.97 -3.01 119.26 117.99 2gem h ALA 82 Ca 0.25 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2gem h ALA 82 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2gem h ALA 82 CO -0.04 0.55 0.12 1.25 0.00 0.00 0.00 179.25 181.12 2gem h LEU 83 N 0.39 0.45 -1.02 0.00 5.85 -0.52 0.17 115.31 120.63 2gem h LEU 83 Ca -0.03 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2gem h LEU 83 Cb 1.23 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2gem h LEU 83 CO 0.13 0.51 0.00 1.23 -0.34 0.00 0.00 178.44 179.97 2gem h GLY 84 N 0.36 0.00 -0.41 3.75 0.00 -1.37 -2.76 103.07 102.64 2gem h GLY 84 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2gem h GLY 84 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.53 2gem n ALA 85 N -1.81 2.09 -3.62 3.60 0.00 -0.85 -5.00 120.51 114.92 2gem n ALA 85 Ca 0.01 -1.01 -0.27 0.00 0.00 0.00 0.00 53.44 52.17 2gem n ALA 85 Cb 0.18 -0.14 0.03 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.14 -5.59 -4.40 0.00 4.13 0.40 -4.75 115.26 104.91 2gem n ASN 86 Ca 0.04 -0.90 -0.30 0.00 1.68 0.00 0.00 54.58 55.10 2gem n ASN 86 Cb 0.29 -3.40 -0.13 0.00 -1.54 0.00 0.00 39.78 35.00 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 -5.99 2.37 0.35 3.41 1.43 -0.09 -5.04 118.68 115.13 2gem s LEU 87 Ca 0.36 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 2gem s LEU 87 Cb -0.13 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.65 2gem s LEU 87 CO 0.85 0.22 0.98 -2.84 0.23 0.00 0.00 176.35 175.79 2gem s PRO 88 N -1.67 4.45 0.05 1.29 0.02 -1.26 -4.73 135.00 133.15 2gem s PRO 88 Ca 0.14 1.38 0.04 0.00 0.02 0.00 0.00 61.00 62.58 2gem s PRO 88 Cb -0.10 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 2gem s PRO 88 CO 0.05 0.14 -0.05 -1.64 -0.33 0.00 0.00 177.00 175.17 2gem s MET 89 N -2.23 2.49 -0.14 5.54 -1.94 -0.37 -1.24 119.30 121.40 2gem s MET 89 Ca 0.53 -0.80 -0.00 0.00 -1.71 0.00 0.00 55.69 53.71 2gem s MET 89 Cb -0.19 -2.49 0.03 0.00 2.01 0.00 0.00 34.83 34.18 2gem s MET 89 CO 0.25 0.57 -0.10 0.42 -0.01 0.00 0.00 175.02 176.15 2gem s ILE 90 N -1.13 1.30 -0.12 2.53 1.01 -0.48 0.11 121.20 124.41 2gem s ILE 90 Ca 0.21 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 60.04 2gem s ILE 90 Cb -0.11 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 2gem s ILE 90 CO 0.12 0.33 0.88 -0.83 0.00 0.00 0.00 174.94 175.44 2gem s GLY 91 N 1.58 2.31 -0.11 6.18 0.00 -1.26 -1.17 107.32 114.84 2gem s GLY 91 Ca 0.04 0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.96 2gem s GLY 91 CO -0.09 1.68 -0.18 0.14 0.00 0.00 0.00 173.10 174.65 2gem s VAL 92 N 1.85 2.61 0.29 1.40 1.01 -0.12 -4.90 120.40 122.54 2gem s VAL 92 Ca 0.42 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 2gem s VAL 92 Cb -0.18 -2.05 -0.10 0.00 0.00 0.00 0.00 36.38 34.05 2gem s VAL 92 CO 0.16 0.54 1.42 -0.55 0.00 0.00 0.00 175.10 176.68 2gem s SER 93 N 0.24 6.62 0.22 3.32 0.15 -1.26 -1.36 113.70 121.63 2gem s SER 93 Ca -0.12 2.75 -0.06 0.00 0.70 0.00 0.00 55.95 59.21 2gem s SER 93 Cb -0.16 -2.64 0.19 0.00 -1.71 0.00 0.00 66.02 61.70 2gem s SER 93 CO 0.06 -0.70 1.74 0.74 1.20 0.00 0.00 173.24 176.28 2gem h THR 94 N 3.32 1.26 0.05 6.45 2.02 -1.35 -0.32 112.91 124.34 2gem h THR 94 Ca -0.47 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 2gem h THR 94 Cb 1.22 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2gem h THR 94 CO 0.73 0.36 -0.02 -0.07 0.37 0.00 0.00 175.52 176.89 2gem h LEU 95 N 1.00 -0.06 -0.70 2.58 -0.00 -1.87 -2.79 115.31 113.47 2gem h LEU 95 Ca 0.21 -0.26 0.04 0.00 -0.00 0.00 0.00 57.88 57.88 2gem h LEU 95 Cb 0.37 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 2gem h LEU 95 CO 0.00 0.23 0.42 0.00 -0.00 0.00 0.00 178.44 179.09 2gem h ALA 96 N 0.59 0.92 -0.50 1.53 0.00 -1.92 -2.28 119.26 117.60 2gem h ALA 96 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2gem h ALA 96 Cb 0.31 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2gem h ALA 96 CO 0.01 0.15 0.06 1.15 0.00 0.00 0.00 179.25 180.63 2gem h THR 97 N 0.80 0.68 -0.10 0.00 2.02 -0.93 -0.79 112.91 114.59 2gem h THR 97 Ca 0.29 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.31 2gem h THR 97 Cb 0.09 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2gem h THR 97 CO -0.14 0.03 -0.36 0.24 0.37 0.00 0.00 175.52 175.66 2gem h MET 98 N 0.19 0.21 -0.56 6.66 2.07 -1.20 -1.89 114.93 120.40 2gem h MET 98 Ca 0.25 -0.09 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 2gem h MET 98 Cb 0.36 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.06 2gem h MET 98 CO -0.36 0.55 0.36 0.00 1.07 0.00 0.00 176.91 178.53 2gem h ALA 99 N 1.44 0.71 -0.51 6.32 0.00 -0.69 0.04 119.26 126.58 2gem h ALA 99 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2gem h ALA 99 Cb 0.73 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2gem h ALA 99 CO 0.06 0.16 0.28 0.37 0.00 0.00 0.00 179.25 180.11 2gem h GLN 100 N 0.76 0.69 -0.58 0.00 5.75 -0.71 -1.64 115.11 119.38 2gem h GLN 100 Ca 0.20 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 2gem h GLN 100 Cb -0.07 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 2gem h GLN 100 CO -0.04 0.51 0.06 0.78 -2.65 0.00 0.00 178.83 177.48 2gem h GLY 101 N 0.77 1.03 1.61 2.39 0.00 -0.28 -1.76 103.07 106.82 2gem h GLY 101 Ca 0.18 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 2gem h GLY 101 CO -0.03 0.63 -0.16 0.00 0.00 0.00 0.00 176.54 176.98 2gem h ALA 102 N 1.16 1.22 -0.47 3.60 0.00 -0.14 -0.89 119.26 123.74 2gem h ALA 102 Ca 0.17 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2gem h ALA 102 Cb 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2gem h ALA 102 CO 0.02 0.51 0.05 2.35 0.00 0.00 0.00 179.25 182.17 2gem h TRP 103 N 0.43 0.86 -0.33 0.00 2.91 -1.03 0.15 115.95 118.93 2gem h TRP 103 Ca 0.08 -0.13 -0.04 0.00 1.13 0.00 0.00 58.89 59.92 2gem h TRP 103 Cb 0.54 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.95 2gem h TRP 103 CO 0.02 0.81 0.04 -0.09 -1.03 0.00 0.00 178.44 178.19 2gem h ARG 104 N 0.66 0.56 0.00 2.65 2.43 -0.86 0.49 114.38 120.31 2gem h ARG 104 Ca 0.14 -0.16 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 2gem h ARG 104 Cb 0.44 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2gem h ARG 104 CO 0.02 0.66 -1.20 0.87 -1.51 0.00 0.00 179.97 178.80 2gem h LYS 105 N 0.38 0.00 0.00 0.20 1.57 -1.16 -3.41 116.57 114.15 2gem h LYS 105 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2gem h LYS 105 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2gem h LYS 105 CO 0.01 0.43 -0.50 0.25 -0.57 0.00 0.00 179.45 179.07 2gem n THR 106 N -3.03 0.00 -0.25 -0.16 -2.24 0.43 -5.02 114.28 104.01 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 0.85 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.29 0.64 3.60 3.38 0.00 0.16 -4.98 105.19 109.28 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 -1.24 -0.23 0.11 4.61 0.00 -1.19 -4.81 120.51 117.77 2gem n ALA 108 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.86 2gem n ALA 108 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.39 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 0.69 0.00 -3.95 0.00 -2.24 -1.26 -3.80 114.28 103.71 2gem n THR 109 Ca 0.11 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 2gem n THR 109 Cb 0.30 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.21 1.80 -0.03 -0.78 0.52 -1.26 -0.31 118.95 117.67 2gem s ARG 110 Ca 0.01 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.62 2gem s ARG 110 Cb 0.02 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.32 2gem s ARG 110 CO 0.09 -0.39 -0.15 0.08 0.02 0.00 0.00 175.30 174.95 2gem s VAL 111 N 1.52 1.24 -0.29 3.52 1.01 0.20 -0.84 120.40 126.76 2gem s VAL 111 Ca 0.01 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2gem s VAL 111 Cb -0.15 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 2gem s VAL 111 CO -0.08 0.36 0.10 -0.76 0.00 0.00 0.00 175.10 174.71 2gem s LEU 112 N 0.01 3.81 -0.22 3.92 1.43 -0.46 -0.36 118.68 126.81 2gem s LEU 112 Ca -0.02 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 2gem s LEU 112 Cb -0.10 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2gem s LEU 112 CO 0.01 -0.15 0.06 0.00 0.23 0.00 0.00 176.35 176.50 2gem s ALA 113 N 1.56 3.22 -0.17 4.21 0.00 -0.13 -1.91 121.76 128.53 2gem s ALA 113 Ca 0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2gem s ALA 113 Cb -0.17 -1.99 0.05 0.00 0.00 0.00 0.00 23.12 21.01 2gem s ALA 113 CO 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 175.76 175.56 2gem s ALA 114 N 1.14 1.23 -0.19 0.00 0.00 -0.11 -1.65 121.76 122.18 2gem s ALA 114 Ca 0.04 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 2gem s ALA 114 Cb -0.14 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 2gem s ALA 114 CO 0.03 -0.95 0.15 0.42 0.00 0.00 0.00 175.76 175.41 2gem s ILE 115 N 1.75 5.41 -0.95 0.00 1.01 0.27 0.10 121.20 128.78 2gem s ILE 115 Ca -0.00 0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.63 2gem s ILE 115 Cb -0.16 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.86 2gem s ILE 115 CO -0.07 0.45 1.51 -0.62 0.00 0.00 0.00 174.94 176.21 2gem s ASP 116 N 0.27 6.21 0.38 3.58 2.15 -1.26 -1.66 116.67 126.34 2gem s ASP 116 Ca 0.09 -1.14 -0.18 0.00 0.43 0.00 0.00 52.55 51.75 2gem s ASP 116 Cb -0.11 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 39.84 2gem s ASP 116 CO -0.01 -1.77 0.86 0.00 -0.17 0.00 0.00 175.17 174.08 2gem s ALA 117 N 5.97 3.16 1.08 3.66 0.00 -0.37 -4.89 121.76 130.37 2gem s ALA 117 Ca 0.49 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 2gem s ALA 117 Cb -0.02 -2.98 0.18 0.00 0.00 0.00 0.00 23.12 20.29 2gem s ALA 117 CO -0.04 0.21 0.67 0.54 0.00 0.00 0.00 175.76 177.15 2gem n ARG 118 N -0.54 -1.53 -3.83 0.00 5.12 -1.26 -2.72 116.66 111.90 2gem n ARG 118 Ca 0.05 -0.41 -0.26 0.00 -1.93 0.00 0.00 57.85 55.31 2gem n ARG 118 Cb 0.54 -2.03 0.02 0.00 -1.16 0.00 0.00 32.46 29.82 2gem n ARG 118 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2gem n MET 119 N -3.55 -4.82 -3.82 5.56 2.81 -1.26 -2.61 117.12 109.44 2gem n MET 119 Ca 0.05 0.57 -0.28 0.00 -1.81 0.00 0.00 57.70 56.23 2gem n MET 119 Cb 0.56 -5.19 0.04 0.00 -0.71 0.00 0.00 33.22 27.92 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 -1.67 -0.49 3.47 3.03 0.00 -1.25 -5.00 105.19 103.28 2gem n GLY 120 Ca -0.17 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.48 1.67 -0.02 1.61 2.02 -1.07 -4.50 118.70 111.92 2gem s GLU 121 Ca 0.58 -1.66 0.01 0.00 0.02 0.00 0.00 54.97 53.92 2gem s GLU 121 Cb -0.28 -1.82 0.01 0.00 0.10 0.00 0.00 34.13 32.14 2gem s GLU 121 CO 0.80 0.36 -0.04 0.54 0.02 0.00 0.00 175.26 176.95 2gem s VAL 122 N -2.21 0.39 -0.27 2.63 0.11 0.05 -1.24 120.40 119.87 2gem s VAL 122 Ca 0.27 -0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 59.00 2gem s VAL 122 Cb -0.06 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2gem s VAL 122 CO 0.14 0.16 0.66 -0.31 -3.33 0.00 0.00 175.10 172.41 2gem s TYR 123 N 0.51 3.27 0.11 1.54 4.12 -0.67 -0.04 117.35 126.19 2gem s TYR 123 Ca -0.06 0.81 0.09 0.00 0.02 0.00 0.00 57.07 57.93 2gem s TYR 123 Cb -0.09 -2.91 -0.04 0.00 -1.52 0.00 0.00 41.96 37.40 2gem s TYR 123 CO -0.00 -0.38 -0.21 -0.46 0.02 0.00 0.00 175.55 174.52 2gem s TRP 124 N 2.59 2.47 -0.24 2.71 -0.11 0.20 -0.57 118.94 125.98 2gem s TRP 124 Ca 0.27 -0.30 -0.26 0.00 1.22 0.00 0.00 56.10 57.03 2gem s TRP 124 Cb -0.15 -1.33 0.09 0.00 -1.50 0.00 0.00 33.47 30.58 2gem s TRP 124 CO 0.09 0.36 0.81 0.00 -4.62 0.00 0.00 176.95 173.59 2gem s ALA 125 N -1.10 -1.84 -0.35 5.86 0.00 -0.66 -1.05 121.76 122.63 2gem s ALA 125 Ca 0.16 1.88 -0.03 0.00 0.00 0.00 0.00 51.96 53.97 2gem s ALA 125 Cb -0.10 -1.08 0.07 0.00 0.00 0.00 0.00 23.12 22.00 2gem s ALA 125 CO 0.08 -0.32 0.10 -1.21 0.00 0.00 0.00 175.76 174.41 2gem s GLU 126 N 0.08 2.35 -0.15 0.00 2.02 -1.26 -0.96 118.70 120.78 2gem s GLU 126 Ca -0.01 -1.42 -0.01 0.00 0.02 0.00 0.00 54.97 53.55 2gem s GLU 126 Cb -0.04 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 2gem s GLU 126 CO 0.00 -0.78 -0.11 0.71 0.02 0.00 0.00 175.26 175.11 2gem s TYR 127 N 1.26 2.86 -0.12 1.61 1.51 0.51 -4.30 117.35 120.68 2gem s TYR 127 Ca -0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 2gem s TYR 127 Cb -0.21 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.76 2gem s TYR 127 CO -0.01 -0.27 -0.10 -0.65 -1.11 0.00 0.00 175.55 173.41 2gem s GLN 128 N 0.57 1.82 -0.10 -0.62 -0.21 -0.05 0.60 119.66 121.68 2gem s GLN 128 Ca -0.07 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 54.64 2gem s GLN 128 Cb -0.15 -1.76 -0.03 0.00 1.00 0.00 0.00 33.01 32.06 2gem s GLN 128 CO 0.03 -0.23 1.38 0.50 -2.12 0.00 0.00 175.29 174.85 2gem s ARG 129 N 1.55 4.24 0.49 2.91 3.52 0.57 -0.15 118.95 132.08 2gem s ARG 129 Ca 0.04 1.85 -0.07 0.00 -0.13 0.00 0.00 55.73 57.42 2gem s ARG 129 Cb -0.13 -3.77 0.11 0.00 -1.56 0.00 0.00 34.95 29.60 2gem s ARG 129 CO -0.08 -0.70 0.66 -0.40 -0.81 0.00 0.00 175.30 173.97 2gem n ASP 130 N 6.43 0.20 -0.16 -2.12 5.68 0.89 -4.90 116.55 122.58 2gem n ASP 130 Ca 0.14 -1.33 0.02 0.00 -0.50 0.00 0.00 54.79 53.12 2gem n ASP 130 Cb 0.44 -0.49 0.30 0.00 -1.14 0.00 0.00 41.12 40.23 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 -1.58 1.55 0.00 2.12 0.00 -1.96 -1.92 119.26 117.47 2gem h ALA 131 Ca -0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2gem h ALA 131 Cb 0.63 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2gem h ALA 131 CO 0.17 0.41 0.00 1.04 0.00 0.00 0.00 179.25 180.87 2gem n GLN 132 N -4.44 0.98 -0.54 0.00 3.00 -1.26 -4.87 117.38 110.26 2gem n GLN 132 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2gem n GLN 132 Cb 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.80 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 1.01 0.71 3.82 1.08 0.00 -0.72 -5.06 105.19 106.02 2gem n GLY 133 Ca 0.24 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 5.47 -0.35 1.61 1.01 -1.26 -4.81 120.40 120.07 2gem s VAL 134 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2gem s VAL 134 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.96 2gem s VAL 134 CO 0.00 0.54 1.16 0.26 0.00 0.00 0.00 175.10 177.07 2gem s TRP 135 N -0.45 2.93 0.14 5.22 0.52 -1.26 -0.07 118.94 125.96 2gem s TRP 135 Ca 0.12 0.99 -0.00 0.00 0.02 0.00 0.00 56.10 57.22 2gem s TRP 135 Cb -0.12 -3.93 -0.04 0.00 -1.15 0.00 0.00 33.47 28.23 2gem s TRP 135 CO 0.02 -1.18 0.31 -0.65 0.02 0.00 0.00 176.95 175.47 2gem s GLN 136 N 4.01 3.50 0.00 4.98 -1.52 0.79 -4.62 119.66 126.79 2gem s GLN 136 Ca 0.49 -0.38 0.00 0.00 -1.95 0.00 0.00 55.36 53.52 2gem s GLN 136 Cb -0.12 -2.93 0.00 0.00 -0.22 0.00 0.00 33.01 29.74 2gem s GLN 136 CO 0.22 0.50 0.00 0.41 -0.25 0.00 0.00 175.29 176.17 2gem n GLY 137 N -0.22 1.13 0.45 3.09 0.00 -1.26 -0.87 105.19 107.52 2gem n GLY 137 Ca -0.05 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.24 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 0.78 0.11 0.00 1.61 4.81 -1.82 0.53 114.58 120.61 2gem h GLU 138 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2gem h GLU 138 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2gem h GLU 138 CO 0.00 0.07 0.00 -0.85 -0.73 0.00 0.00 179.01 177.50 2gem n GLU 139 N -4.34 0.14 0.00 1.92 0.00 -1.26 -2.09 120.64 115.00 2gem n GLU 139 Ca 0.20 0.50 0.14 0.00 0.00 0.00 0.00 57.16 57.99 2gem n GLU 139 Cb 0.92 -1.84 0.50 0.00 0.00 0.00 0.00 31.44 31.03 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 -2.11 0.00 -1.74 3.84 -2.24 0.18 -4.92 114.28 107.30 2gem n THR 140 Ca 0.01 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 2gem n THR 140 Cb 0.12 0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.01 2.41 -3.56 -0.78 1.02 -0.89 -4.48 120.64 113.36 2gem n GLU 141 Ca 0.12 0.85 -0.06 0.00 -0.02 0.00 0.00 57.16 58.05 2gem n GLU 141 Cb 0.31 -2.51 -0.02 0.00 -0.02 0.00 0.00 31.44 29.20 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 -1.03 -1.94 -0.30 0.62 0.00 -0.22 -4.98 121.76 113.90 2gem s ALA 142 Ca 0.55 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.62 2gem s ALA 142 Cb -0.52 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2gem s ALA 142 CO 0.62 -0.68 0.18 0.54 0.00 0.00 0.00 175.76 176.42 2gem s VAL 143 N -2.79 4.94 0.21 0.00 0.11 -1.26 0.58 120.40 122.19 2gem s VAL 143 Ca 0.08 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.98 2gem s VAL 143 Cb -0.01 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.33 2gem s VAL 143 CO -0.06 0.12 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.04 2gem s LEU 144 N 1.68 2.27 0.24 2.54 1.43 0.94 -4.94 118.68 122.84 2gem s LEU 144 Ca 0.06 -1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 51.84 2gem s LEU 144 Cb -0.17 -0.28 -0.08 0.00 0.03 0.00 0.00 46.19 45.69 2gem s LEU 144 CO 0.08 -0.47 0.66 -0.54 0.23 0.00 0.00 176.35 176.31 2gem s LYS 145 N -3.84 4.04 0.26 1.70 1.02 -1.26 -0.77 119.74 120.89 2gem s LYS 145 Ca 0.25 0.62 -0.07 0.00 0.02 0.00 0.00 55.97 56.79 2gem s LYS 145 Cb 0.05 -2.72 0.45 0.00 -0.52 0.00 0.00 37.83 35.09 2gem s LYS 145 CO 0.06 0.33 1.59 -1.35 -0.92 0.00 0.00 175.35 175.07 2gem h PRO 146 N 2.96 0.02 -0.90 -1.68 0.11 -1.94 0.23 132.00 130.81 2gem h PRO 146 Ca -0.48 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.75 2gem h PRO 146 Cb 1.18 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 2gem h PRO 146 CO 0.66 0.01 0.53 1.49 -0.21 0.00 0.00 178.00 180.48 2gem h GLU 147 N 0.02 0.79 -0.15 1.05 4.81 -1.97 -1.27 114.58 117.87 2gem h GLU 147 Ca 0.44 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 2gem h GLU 147 Cb 0.75 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2gem h GLU 147 CO -0.85 0.52 -0.32 0.00 -0.73 0.00 0.00 179.01 177.64 2gem h ARG 148 N 0.81 0.29 -0.12 1.92 2.47 -0.92 -2.84 114.38 115.99 2gem h ARG 148 Ca 0.46 -0.11 -0.06 0.00 -1.26 0.00 0.00 59.98 59.01 2gem h ARG 148 Cb 0.51 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2gem h ARG 148 CO -0.29 0.58 -0.15 0.28 0.56 0.00 0.00 179.97 180.95 2gem h VAL 149 N 0.25 1.36 0.00 2.04 2.07 -0.79 -1.87 116.25 119.32 2gem h VAL 149 Ca 0.03 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 2gem h VAL 149 Cb 0.69 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2gem h VAL 149 CO 0.05 0.39 -0.01 1.23 0.02 0.00 0.00 177.57 179.25 2gem h GLY 150 N -0.08 0.00 1.12 2.17 0.00 -1.38 0.13 103.07 105.03 2gem h GLY 150 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 2gem h GLY 150 CO 0.04 0.00 -0.48 -2.09 0.00 0.00 0.00 176.54 174.01 2gem h GLU 151 N 0.00 0.87 -0.16 4.80 4.81 -1.25 -3.19 114.58 120.47 2gem h GLU 151 Ca -0.00 -0.52 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 2gem h GLU 151 Cb 0.02 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2gem h GLU 151 CO 0.00 1.16 -0.07 -0.09 -0.73 0.00 0.00 179.01 179.28 2gem h ARG 152 N 0.66 0.33 -1.04 1.92 1.12 -0.00 -3.10 114.38 114.27 2gem h ARG 152 Ca 0.03 -0.14 0.27 0.00 -1.11 0.00 0.00 59.98 59.03 2gem h ARG 152 Cb 1.08 -0.01 -0.11 0.00 -0.01 0.00 0.00 29.97 30.92 2gem h ARG 152 CO 0.11 0.64 0.66 -0.07 -3.11 0.00 0.00 179.97 178.20 2gem h LEU 153 N 0.01 0.50 -1.49 3.80 3.38 -1.01 0.60 115.31 121.10 2gem h LEU 153 Ca 0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2gem h LEU 153 Cb 0.54 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2gem h LEU 153 CO 0.02 0.07 0.00 0.11 0.09 0.00 0.00 178.44 178.73 2gem h LYS 154 N 0.43 0.00 -0.01 1.13 1.57 -1.52 -1.83 116.57 116.34 2gem h LYS 154 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2gem h LYS 154 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.80 2gem h LYS 154 CO -0.36 0.00 -0.35 1.04 -0.57 0.00 0.00 179.45 179.21 2gem n GLN 155 N -2.57 1.01 -2.84 3.15 6.02 0.21 -4.93 117.38 117.43 2gem n GLN 155 Ca -0.00 -0.71 -0.20 0.00 -0.01 0.00 0.00 57.00 56.08 2gem n GLN 155 Cb 0.16 -1.49 0.04 0.00 1.02 0.00 0.00 30.24 29.97 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 -2.49 3.37 0.06 1.08 2.01 -0.69 -5.13 118.68 116.89 2gem s LEU 156 Ca 0.22 -0.33 -0.14 0.00 0.01 0.00 0.00 54.13 53.89 2gem s LEU 156 Cb 0.19 -2.52 0.02 0.00 0.01 0.00 0.00 46.19 43.89 2gem s LEU 156 CO 0.54 -1.10 0.31 -0.55 1.01 0.00 0.00 176.35 176.56 2gem s SER 157 N -4.46 -0.12 0.00 2.29 0.15 -1.26 -4.91 113.70 105.39 2gem s SER 157 Ca 0.58 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2gem s SER 157 Cb -0.09 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2gem s SER 157 CO 0.37 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2gem n GLY 158 N 0.41 -1.83 3.85 9.45 0.00 -1.26 -4.91 105.19 110.89 2gem n GLY 158 Ca -0.18 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 3.31 0.04 1.61 -1.05 -1.26 -2.44 118.70 118.92 2gem s GLU 159 Ca 0.00 -0.30 -0.01 0.00 -0.15 0.00 0.00 54.97 54.51 2gem s GLU 159 Cb 0.00 -3.05 -0.04 0.00 -0.44 0.00 0.00 34.13 30.61 2gem s GLU 159 CO 0.00 0.71 -0.03 -1.58 0.95 0.00 0.00 175.26 175.31 2gem s TRP 160 N -1.15 0.47 -0.01 4.83 0.52 -0.59 -4.80 118.94 118.20 2gem s TRP 160 Ca 0.21 -0.95 -0.00 0.00 0.02 0.00 0.00 56.10 55.37 2gem s TRP 160 Cb -0.12 -0.35 -0.04 0.00 -1.15 0.00 0.00 33.47 31.81 2gem s TRP 160 CO 0.11 -0.34 0.05 0.00 0.02 0.00 0.00 176.95 176.79 2gem s ALA 161 N -3.39 3.46 -0.07 0.98 0.00 -0.02 0.50 121.76 123.21 2gem s ALA 161 Ca 0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 2gem s ALA 161 Cb 0.04 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 2gem s ALA 161 CO -0.08 0.66 0.07 0.95 0.00 0.00 0.00 175.76 177.36 2gem s THR 162 N -1.12 4.79 0.04 0.00 -4.23 0.15 -1.35 115.64 113.92 2gem s THR 162 Ca 0.21 -0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.51 2gem s THR 162 Cb -0.12 -3.08 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 2gem s THR 162 CO 0.11 0.54 0.08 0.68 -0.54 0.00 0.00 174.62 175.50 2gem s VAL 163 N -1.01 0.14 0.00 2.29 -7.23 -0.80 -0.18 120.40 113.60 2gem s VAL 163 Ca 0.16 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2gem s VAL 163 Cb -0.12 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2gem s VAL 163 CO 0.06 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.82 2gem n GLY 164 N 0.70 2.39 0.18 2.32 0.00 -0.17 -0.94 105.19 109.67 2gem n GLY 164 Ca -0.19 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.44 2.61 1.35 -1.35 -3.29 112.91 111.78 2gem h THR 165 Ca 0.00 -0.40 0.13 0.00 -0.55 0.00 0.00 66.41 65.59 2gem h THR 165 Cb 0.00 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 2gem h THR 165 CO 0.00 0.00 0.32 1.23 -0.25 0.00 0.00 175.52 176.82 2gem h GLY 166 N 2.53 0.00 1.23 5.82 0.00 0.47 -2.29 103.07 110.83 2gem h GLY 166 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2gem h GLY 166 CO 0.00 0.00 -0.78 1.49 0.00 0.00 0.00 176.54 177.25 2gem h TRP 167 N 0.00 1.02 -0.00 5.60 4.06 -1.71 -2.12 115.95 122.79 2gem h TRP 167 Ca 0.21 -0.45 -0.14 0.00 2.06 0.00 0.00 58.89 60.57 2gem h TRP 167 Cb 0.85 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 2gem h TRP 167 CO 0.00 1.28 -0.64 0.77 -3.56 0.00 0.00 178.44 176.29 2gem h SER 168 N 0.51 0.02 0.70 -3.49 0.02 -1.71 -2.33 113.55 107.27 2gem h SER 168 Ca -0.05 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 2gem h SER 168 Cb 1.41 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.93 2gem h SER 168 CO 0.16 0.66 -0.55 0.00 -1.14 0.00 0.00 176.83 175.95 2gem h ALA 169 N 1.34 0.97 -2.12 3.77 0.00 -1.38 -3.36 119.26 118.49 2gem h ALA 169 Ca -0.01 -0.50 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 2gem h ALA 169 Cb 1.14 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.44 2gem h ALA 169 CO 0.08 0.69 -0.95 0.91 0.00 0.00 0.00 179.25 179.99 2gem n TRP 170 N -3.71 0.73 0.30 0.00 7.02 -0.80 -4.99 117.44 115.99 2gem n TRP 170 Ca -0.01 -3.72 0.13 0.00 -1.02 0.00 0.00 57.50 52.89 2gem n TRP 170 Cb 0.59 -0.36 0.69 0.00 -2.42 0.00 0.00 31.31 29.82 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 4.23 0.00 0.00 -0.99 0.13 -1.58 -1.96 132.00 131.83 2gem h PRO 171 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2gem h PRO 171 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2gem h PRO 171 CO 0.56 0.00 -0.26 -0.44 -0.23 0.00 0.00 178.00 177.62 2gem h ASP 172 N 0.00 0.00 -0.25 1.44 3.45 -1.94 -3.33 116.42 115.79 2gem h ASP 172 Ca 0.00 -0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.50 2gem h ASP 172 Cb 0.70 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.43 2gem h ASP 172 CO 0.00 0.00 -0.04 -0.07 -1.57 0.00 0.00 179.24 177.56 2gem h LEU 173 N 0.00 -0.19 -0.19 1.55 3.38 -1.70 -1.04 115.31 117.13 2gem h LEU 173 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2gem h LEU 173 Cb 0.97 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2gem h LEU 173 CO 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.47 2gem h ALA 174 N 1.24 1.00 0.13 1.53 0.00 -1.79 -3.31 119.26 118.06 2gem h ALA 174 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2gem h ALA 174 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2gem h ALA 174 CO -0.24 0.00 -0.06 -0.22 0.00 0.00 0.00 179.25 178.73 2gem h LYS 175 N 0.00 -0.17 -0.00 0.00 1.63 -1.41 -3.36 116.57 113.26 2gem h LYS 175 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2gem h LYS 175 Cb 0.72 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2gem h LYS 175 CO 0.00 0.24 0.00 -0.85 -3.45 0.00 0.00 179.45 175.39 2gem n GLU 176 N -4.87 1.00 -3.79 1.90 0.28 -0.49 -4.88 120.64 109.80 2gem n GLU 176 Ca -0.06 -0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.62 2gem n GLU 176 Cb 0.24 -1.44 -0.04 0.00 1.43 0.00 0.00 31.44 31.63 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 0.15 -0.21 3.84 0.00 0.00 -1.26 -4.90 105.19 102.80 2gem n GLY 178 Ca -0.04 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.26 2.78 -0.57 0.99 1.43 -1.26 -4.93 118.68 115.85 2gem s LEU 179 Ca 0.20 1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 54.42 2gem s LEU 179 Cb 0.10 -3.96 0.14 0.00 0.03 0.00 0.00 46.19 42.51 2gem s LEU 179 CO 0.15 -1.62 0.49 -0.89 0.23 0.00 0.00 176.35 174.71 2gem s THR 180 N -3.25 4.86 -0.00 5.49 2.01 -1.02 -5.03 115.64 118.69 2gem s THR 180 Ca 0.59 -1.85 -0.16 0.00 0.31 0.00 0.00 61.69 60.58 2gem s THR 180 Cb -0.13 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.21 2gem s THR 180 CO 0.53 -0.87 0.45 -0.76 -0.69 0.00 0.00 174.62 173.28 2gem s LEU 181 N 1.17 4.45 0.13 4.42 2.01 -1.26 -1.54 118.68 128.06 2gem s LEU 181 Ca 0.07 1.00 0.09 0.00 0.01 0.00 0.00 54.13 55.30 2gem s LEU 181 Cb -0.25 -2.66 -0.04 0.00 0.01 0.00 0.00 46.19 43.25 2gem s LEU 181 CO -0.01 0.26 -0.18 -1.00 1.01 0.00 0.00 176.35 176.43 2gem s HIS 182 N -0.81 2.52 -0.39 0.29 3.76 0.18 -4.95 115.29 115.89 2gem s HIS 182 Ca 0.25 -0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 54.60 2gem s HIS 182 Cb -0.17 -1.32 0.02 0.00 1.11 0.00 0.00 32.58 32.22 2gem s HIS 182 CO 0.14 0.40 1.15 0.34 -0.85 0.00 0.00 174.74 175.92 2gem s ASP 183 N -2.22 6.73 0.15 1.40 -1.08 -1.26 0.33 116.67 120.72 2gem s ASP 183 Ca 0.18 0.80 0.17 0.00 -0.52 0.00 0.00 52.55 53.18 2gem s ASP 183 Cb -0.10 -2.55 0.74 0.00 -1.46 0.00 0.00 42.92 39.55 2gem s ASP 183 CO 0.10 -1.11 1.51 0.61 0.52 0.00 0.00 175.17 176.81 2gem n GLY 184 N 4.44 -0.99 2.43 2.66 0.00 0.74 -4.79 105.19 109.68 2gem n GLY 184 Ca 0.13 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.89 -1.62 -3.77 1.61 1.02 -1.26 -4.32 120.64 110.40 2gem n GLU 185 Ca 0.02 1.05 -0.24 0.00 -0.02 0.00 0.00 57.16 57.96 2gem n GLU 185 Cb 0.14 -5.66 -0.17 0.00 -0.02 0.00 0.00 31.44 25.73 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 -2.99 0.40 -0.15 2.62 1.01 -1.26 -4.96 120.40 115.06 2gem s VAL 186 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.08 2gem s VAL 186 Cb 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 36.38 35.61 2gem s VAL 186 CO 0.00 0.18 -0.01 -0.24 0.00 0.00 0.00 175.10 175.03 2gem n SER 187 N 5.13 1.91 -4.14 3.32 2.88 -1.26 -1.00 113.62 120.45 2gem n SER 187 Ca -0.07 -0.03 -0.16 0.00 -1.33 0.00 0.00 58.87 57.28 2gem n SER 187 Cb 0.50 0.52 -0.11 0.00 -0.75 0.00 0.00 64.21 64.37 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 -5.29 2.32 0.48 2.46 1.43 -1.26 -2.98 118.68 115.84 2gem s LEU 188 Ca -0.11 -0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 2gem s LEU 188 Cb 0.05 -0.35 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 2gem s LEU 188 CO 0.52 -0.18 1.13 -2.16 0.23 0.00 0.00 176.35 175.89 2gem s PRO 189 N -2.08 3.67 -0.04 1.29 0.04 -1.26 -4.91 135.00 131.71 2gem s PRO 189 Ca -0.01 1.66 0.04 0.00 0.04 0.00 0.00 61.00 62.73 2gem s PRO 189 Cb -0.07 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.20 2gem s PRO 189 CO 0.01 -0.60 -0.16 0.00 0.04 0.00 0.00 177.00 176.29 2gem s ALA 190 N -1.66 1.46 0.32 8.56 0.00 -1.26 -4.88 121.76 124.30 2gem s ALA 190 Ca 0.66 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.00 2gem s ALA 190 Cb -0.25 -0.48 0.64 0.00 0.00 0.00 0.00 23.12 23.03 2gem s ALA 190 CO 0.30 0.27 1.87 0.00 0.00 0.00 0.00 175.76 178.21 2gem h ALA 191 N 6.23 1.63 -0.06 0.00 0.00 -1.89 0.68 119.26 125.86 2gem h ALA 191 Ca -0.33 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2gem h ALA 191 Cb 1.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2gem h ALA 191 CO 0.48 0.16 0.14 1.05 0.00 0.00 0.00 179.25 181.08 2gem h GLU 192 N 0.89 0.00 0.00 0.00 4.11 -1.91 0.94 114.58 118.61 2gem h GLU 192 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 2gem h GLU 192 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2gem h GLU 192 CO -0.20 0.00 -0.66 -0.44 0.07 0.00 0.00 179.01 177.78 2gem h ASP 193 N 0.00 0.00 0.84 3.06 3.32 -1.18 -3.29 116.42 119.16 2gem h ASP 193 Ca 0.03 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 2gem h ASP 193 Cb 0.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2gem h ASP 193 CO -0.00 0.04 -0.66 0.24 -1.72 0.00 0.00 179.24 177.14 2gem h MET 194 N 0.00 0.00 -0.13 3.56 2.86 -0.74 -3.33 114.93 117.15 2gem h MET 194 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2gem h MET 194 Cb 0.88 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 2gem h MET 194 CO 0.00 0.66 -0.17 -0.07 1.06 0.00 0.00 176.91 178.39 2gem h LEU 195 N 0.00 -0.53 -0.81 1.22 3.38 -1.60 0.37 115.31 117.34 2gem h LEU 195 Ca -0.01 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2gem h LEU 195 Cb 1.26 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.20 2gem h LEU 195 CO 0.09 -0.22 0.49 -0.65 0.09 0.00 0.00 178.44 178.23 2gem h PRO 196 N -0.22 0.86 -0.30 1.13 0.11 -1.77 0.32 132.00 132.13 2gem h PRO 196 Ca 0.10 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 2gem h PRO 196 Cb 0.36 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 2gem h PRO 196 CO -0.26 0.57 -0.22 0.82 -0.21 0.00 0.00 178.00 178.70 2gem h ILE 197 N 0.89 1.26 -0.32 4.15 2.04 -1.55 -2.53 117.51 121.45 2gem h ILE 197 Ca 0.36 -1.25 -0.13 0.00 1.00 0.00 0.00 64.86 64.83 2gem h ILE 197 Cb 0.19 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2gem h ILE 197 CO -0.18 0.41 -0.33 0.00 0.00 0.00 0.00 178.15 178.05 2gem h ALA 198 N 1.26 0.81 0.60 1.87 0.00 0.67 -2.70 119.26 121.77 2gem h ALA 198 Ca 0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2gem h ALA 198 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2gem h ALA 198 CO 0.05 0.64 -0.41 1.03 0.00 0.00 0.00 179.25 180.56 2gem h SER 199 N 0.60 -1.05 -0.90 0.00 0.87 0.00 -0.96 113.55 112.11 2gem h SER 199 Ca 0.06 0.07 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 2gem h SER 199 Cb 0.85 0.32 -0.06 0.00 -0.44 0.00 0.00 62.40 63.06 2gem h SER 199 CO 0.07 -0.61 0.58 0.06 -0.53 0.00 0.00 176.83 176.40 2gem h GLN 200 N -0.97 0.90 -0.47 2.24 3.07 -1.49 0.14 115.11 118.53 2gem h GLN 200 Ca -0.07 -0.05 -0.10 0.00 0.09 0.00 0.00 58.65 58.51 2gem h GLN 200 Cb 0.80 -0.20 -0.02 0.00 0.08 0.00 0.00 27.48 28.14 2gem h GLN 200 CO 0.05 0.59 -0.11 0.87 0.09 0.00 0.00 178.83 180.32 2gem h LYS 201 N 0.92 0.87 -0.13 0.06 1.57 -1.24 -1.36 116.57 117.27 2gem h LYS 201 Ca 0.41 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 2gem h LYS 201 Cb 0.36 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2gem h LYS 201 CO -0.17 0.94 -0.44 1.25 -0.57 0.00 0.00 179.45 180.45 2gem h LEU 202 N 0.78 0.32 -1.46 2.94 6.46 0.05 1.09 115.31 125.49 2gem h LEU 202 Ca 0.13 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 2gem h LEU 202 Cb 0.62 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 2gem h LEU 202 CO 0.04 0.72 -0.21 0.00 -0.62 0.00 0.00 178.44 178.38 2gem h ALA 203 N 1.29 1.15 -0.51 1.25 0.00 -0.16 -1.32 119.26 120.97 2gem h ALA 203 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2gem h ALA 203 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2gem h ALA 203 CO 0.07 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2gem n ALA 204 N -2.27 2.87 -2.55 0.00 0.00 -0.57 -4.94 120.51 113.05 2gem n ALA 204 Ca -0.01 -1.64 -0.19 0.00 0.00 0.00 0.00 53.44 51.61 2gem n ALA 204 Cb 0.35 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.69 -0.50 3.41 0.00 0.00 -0.50 -4.90 105.19 103.39 2gem n GLY 205 Ca 0.22 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 2gem n GLY 205 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gem s GLU 206 N -5.18 3.84 0.41 1.61 2.02 0.37 -4.96 118.70 116.81 2gem s GLU 206 Ca 0.06 -2.40 0.03 0.00 0.02 0.00 0.00 54.97 52.69 2gem s GLU 206 Cb -0.03 -4.79 -0.03 0.00 0.10 0.00 0.00 34.13 29.38 2gem s GLU 206 CO 0.08 -1.57 0.08 0.95 0.02 0.00 0.00 175.26 174.81 2gem s THR 207 N 1.13 0.94 0.04 3.63 -4.23 -1.26 -4.45 115.64 111.44 2gem s THR 207 Ca 0.32 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2gem s THR 207 Cb -0.06 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 2gem s THR 207 CO -0.06 0.00 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.31 2gem s VAL 208 N -3.13 0.16 0.24 2.29 1.01 0.29 -4.94 120.40 116.32 2gem s VAL 208 Ca 0.24 -1.33 -0.28 0.00 0.00 0.00 0.00 61.98 60.61 2gem s VAL 208 Cb 0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 2gem s VAL 208 CO 0.12 -0.73 0.90 0.00 0.00 0.00 0.00 175.10 175.39 2gem s ALA 209 N -2.66 3.34 0.22 5.51 0.00 -1.26 -1.24 121.76 125.67 2gem s ALA 209 Ca -0.05 0.52 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 2gem s ALA 209 Cb -0.01 -3.13 0.35 0.00 0.00 0.00 0.00 23.12 20.33 2gem s ALA 209 CO -0.05 0.23 1.24 0.28 0.00 0.00 0.00 175.76 177.45 2gem n VAL 210 N 1.30 -0.34 0.34 0.00 0.31 -1.26 0.13 118.33 118.81 2gem n VAL 210 Ca -0.02 1.82 0.15 0.00 -0.01 0.00 0.00 64.34 66.28 2gem n VAL 210 Cb 0.48 -2.52 0.56 0.00 -0.91 0.00 0.00 33.84 31.46 2gem n VAL 210 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2gem h GLU 211 N 0.00 0.00 -0.26 5.55 9.09 -1.97 -2.72 114.58 124.27 2gem h GLU 211 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 2gem h GLU 211 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 2gem h GLU 211 CO -0.82 0.00 0.00 0.72 0.05 0.00 0.00 179.01 178.96 2gem n HIS 212 N -2.71 0.32 -2.53 2.06 8.25 0.35 -4.89 115.22 116.08 2gem n HIS 212 Ca 0.02 -0.16 -0.41 0.00 -0.26 0.00 0.00 57.72 56.91 2gem n HIS 212 Cb 0.30 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.68 3.36 0.05 -1.41 0.00 -0.91 -4.84 121.76 116.33 2gem s ALA 213 Ca 0.35 0.80 -0.27 0.00 0.00 0.00 0.00 51.96 52.84 2gem s ALA 213 Cb 0.21 -3.35 0.09 0.00 0.00 0.00 0.00 23.12 20.07 2gem s ALA 213 CO 0.30 -0.21 0.86 -1.83 0.00 0.00 0.00 175.76 174.88 2gem s GLU 214 N -0.29 0.95 0.37 0.00 -1.05 -1.26 -5.06 118.70 112.38 2gem s GLU 214 Ca 0.50 -0.39 -0.26 0.00 -0.15 0.00 0.00 54.97 54.67 2gem s GLU 214 Cb -0.29 0.42 -0.09 0.00 -0.44 0.00 0.00 34.13 33.73 2gem s GLU 214 CO 0.34 -0.42 1.15 -2.14 0.95 0.00 0.00 175.26 175.14 2gem s PRO 215 N -3.24 4.19 0.65 -4.83 0.02 -1.26 -4.86 135.00 125.67 2gem s PRO 215 Ca 0.06 1.81 -0.17 0.00 0.02 0.00 0.00 61.00 62.71 2gem s PRO 215 Cb -0.01 -2.77 -0.00 0.00 0.02 0.00 0.00 34.50 31.73 2gem s PRO 215 CO -0.08 -0.19 1.22 0.54 -0.33 0.00 0.00 177.00 178.16 2gem s VAL 216 N -1.39 2.46 -0.25 3.83 0.11 -0.23 -5.01 120.40 119.92 2gem s VAL 216 Ca 0.54 0.26 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 2gem s VAL 216 Cb -0.30 -2.98 0.06 0.00 -1.53 0.00 0.00 36.38 31.63 2gem s VAL 216 CO 0.38 -0.09 -0.06 -0.31 -3.33 0.00 0.00 175.10 171.69 2gem s TYR 217 N -1.74 2.78 -2.96 1.54 2.02 -1.26 -4.87 117.35 112.86 2gem s TYR 217 Ca 0.77 -2.04 0.24 0.00 -0.37 0.00 0.00 57.07 55.66 2gem s TYR 217 Cb -0.30 -1.79 0.19 0.00 -0.40 0.00 0.00 41.96 39.65 2gem s TYR 217 CO 0.39 -0.83 1.25 1.28 -1.57 0.00 0.00 175.55 176.07