#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gar s ASN 2 N 0.00 6.70 -0.08 6.12 0.01 -1.26 -1.89 114.94 124.54 2gar s ASN 2 Ca 0.00 0.84 0.03 0.00 -0.71 0.00 0.00 52.86 53.03 2gar s ASN 2 Cb 0.00 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 2gar s ASN 2 CO 0.00 -0.09 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.69 2gar s ILE 3 N 1.01 2.65 -0.09 0.60 1.01 0.15 -0.82 121.20 125.71 2gar s ILE 3 Ca 0.28 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2gar s ILE 3 Cb -0.16 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.28 2gar s ILE 3 CO 0.11 0.56 -0.18 -0.69 0.00 0.00 0.00 174.94 174.75 2gar s VAL 4 N -0.12 1.61 -0.11 2.92 1.01 -0.77 -0.45 120.40 124.49 2gar s VAL 4 Ca -0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 2gar s VAL 4 Cb -0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2gar s VAL 4 CO 0.04 0.46 -0.06 -0.69 0.00 0.00 0.00 175.10 174.85 2gar s VAL 5 N 0.63 3.74 -0.16 2.92 1.01 -0.83 -0.93 120.40 126.78 2gar s VAL 5 Ca -0.14 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2gar s VAL 5 Cb -0.16 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2gar s VAL 5 CO 0.04 0.56 -0.06 -0.76 0.00 0.00 0.00 175.10 174.87 2gar s LEU 6 N -0.29 3.05 0.21 3.92 1.02 0.05 -0.73 118.68 125.91 2gar s LEU 6 Ca 0.04 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 53.98 2gar s LEU 6 Cb -0.13 -1.73 -0.05 0.00 0.02 0.00 0.00 46.19 44.31 2gar s LEU 6 CO 0.02 0.14 0.06 0.27 0.02 0.00 0.00 176.35 176.86 2gar s ILE 7 N 0.52 0.55 0.00 -0.59 -4.36 0.46 -0.86 121.20 116.93 2gar s ILE 7 Ca -0.05 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2gar s ILE 7 Cb -0.15 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.19 2gar s ILE 7 CO 0.03 -0.23 0.00 -1.20 0.24 0.00 0.00 174.94 173.78 2gar n SER 8 N -0.34 1.03 0.00 4.36 7.64 -0.92 -2.94 113.62 122.45 2gar n SER 8 Ca -0.03 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2gar n SER 8 Cb 0.65 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 2gar n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gar n GLY 9 N 0.67 4.66 0.34 0.23 0.00 -1.26 -4.66 105.19 105.16 2gar n GLY 9 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.45 2gar n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2gar h ASN 10 N 0.00 0.77 0.00 1.61 -0.73 -1.93 -0.55 115.58 114.76 2gar h ASN 10 Ca 0.00 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.23 2gar h ASN 10 Cb 0.00 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.50 2gar h ASN 10 CO 0.00 0.40 0.00 0.61 -0.37 0.00 0.00 177.43 178.07 2gar n GLY 11 N -1.33 0.54 0.17 1.57 0.00 -1.26 -2.02 105.19 102.86 2gar n GLY 11 Ca 0.17 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 2gar n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gar h SER 12 N 0.00 0.18 -0.25 1.61 4.64 -1.94 -0.77 113.55 117.02 2gar h SER 12 Ca 0.00 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.09 2gar h SER 12 Cb 0.59 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2gar h SER 12 CO 0.00 0.68 -0.38 0.78 -0.87 0.00 0.00 176.83 177.04 2gar h ASN 13 N 0.13 0.76 -0.97 4.97 2.35 -1.93 -2.32 115.58 118.57 2gar h ASN 13 Ca 0.00 -0.52 0.07 0.00 -0.55 0.00 0.00 56.30 55.31 2gar h ASN 13 Cb 0.98 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 39.06 2gar h ASN 13 CO 0.08 1.13 0.63 0.25 -1.65 0.00 0.00 177.43 177.87 2gar h LEU 14 N 0.42 0.97 -0.47 1.61 5.85 -1.83 -1.72 115.31 120.14 2gar h LEU 14 Ca 0.02 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2gar h LEU 14 Cb 0.97 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2gar h LEU 14 CO 0.09 0.61 0.06 -0.61 -0.34 0.00 0.00 178.44 178.24 2gar h GLN 15 N 1.10 0.79 -0.24 1.25 5.75 -0.89 -0.03 115.11 122.84 2gar h GLN 15 Ca 0.43 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 2gar h GLN 15 Cb 0.23 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 2gar h GLN 15 CO -0.18 0.82 0.03 0.00 -2.65 0.00 0.00 178.83 176.85 2gar h ALA 16 N 0.95 1.61 -0.06 3.38 0.00 -0.84 -0.29 119.26 124.01 2gar h ALA 16 Ca 0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2gar h ALA 16 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2gar h ALA 16 CO 0.01 0.29 -0.22 0.82 0.00 0.00 0.00 179.25 180.16 2gar h ILE 17 N 0.34 1.44 -0.50 0.00 2.04 -0.94 -2.03 117.51 117.86 2gar h ILE 17 Ca 0.08 -1.63 0.09 0.00 1.00 0.00 0.00 64.86 64.40 2gar h ILE 17 Cb 0.18 2.34 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 2gar h ILE 17 CO 0.00 0.46 0.09 0.40 0.00 0.00 0.00 178.15 179.10 2gar h ILE 18 N -0.27 0.71 -0.63 -0.67 2.04 -0.48 -1.70 117.51 116.51 2gar h ILE 18 Ca -0.01 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2gar h ILE 18 Cb 0.85 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2gar h ILE 18 CO 0.05 0.04 0.27 0.44 0.00 0.00 0.00 178.15 178.94 2gar h ASP 19 N 0.23 0.85 -0.16 1.72 3.32 -1.07 -1.04 116.42 120.27 2gar h ASP 19 Ca 0.25 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2gar h ASP 19 Cb 0.34 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2gar h ASP 19 CO -0.34 0.78 -0.04 0.00 -1.72 0.00 0.00 179.24 177.92 2gar h ALA 20 N 1.11 1.39 -0.15 3.45 0.00 -0.90 -2.29 119.26 121.88 2gar h ALA 20 Ca 0.21 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2gar h ALA 20 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2gar h ALA 20 CO -0.02 0.42 -0.36 0.00 0.00 0.00 0.00 179.25 179.29 2gar h LYS 22 N 0.12 0.05 -0.34 0.00 3.64 -0.85 0.92 116.57 120.11 2gar h LYS 22 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2gar h LYS 22 Cb 0.98 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2gar h LYS 22 CO 0.08 0.03 0.00 0.25 -2.27 0.00 0.00 179.45 177.54 2gar n THR 23 N -4.52 0.43 -1.97 1.00 -2.24 -0.89 -4.94 114.28 101.15 2gar n THR 23 Ca -0.01 -0.63 -0.21 0.00 -2.27 0.00 0.00 64.05 60.93 2gar n THR 23 Cb 0.15 0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 2gar n THR 23 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2gar n ASN 24 N 1.15 -5.68 0.14 3.42 2.85 0.32 -4.83 115.26 112.62 2gar n ASN 24 Ca 0.18 0.27 -0.00 0.00 -0.11 0.00 0.00 54.58 54.92 2gar n ASN 24 Cb 0.52 -4.86 0.16 0.00 1.24 0.00 0.00 39.78 36.84 2gar n ASN 24 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2gar h LYS 25 N 0.00 0.00 -5.07 1.20 1.57 -0.28 -3.39 116.57 110.60 2gar h LYS 25 Ca -0.46 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.67 2gar h LYS 25 Cb 1.36 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.42 2gar h LYS 25 CO 0.60 0.61 -0.68 0.42 -0.57 0.00 0.00 179.45 179.83 2gar s ILE 26 N -3.45 3.78 -1.52 1.86 1.01 -0.70 -4.82 121.20 117.36 2gar s ILE 26 Ca -0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 2gar s ILE 26 Cb 0.12 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 2gar s ILE 26 CO 0.75 0.42 2.51 0.29 0.00 0.00 0.00 174.94 178.91 2gar n LYS 27 N 4.46 3.21 -3.83 2.79 4.76 -1.26 -4.51 118.16 123.77 2gar n LYS 27 Ca -0.17 -2.47 -0.07 0.00 -2.87 0.00 0.00 58.31 52.72 2gar n LYS 27 Cb 0.51 -3.09 0.02 0.00 -1.84 0.00 0.00 35.03 30.63 2gar n LYS 27 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2gar s GLY 28 N 2.74 0.23 -0.03 0.72 0.00 -1.26 -4.49 107.32 105.22 2gar s GLY 28 Ca 0.56 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.74 2gar s GLY 28 CO -0.08 0.39 -0.09 -1.59 0.00 0.00 0.00 173.10 171.74 2gar s THR 29 N -2.49 0.78 -0.48 0.90 2.01 -0.79 -4.80 115.64 110.76 2gar s THR 29 Ca 0.16 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.57 2gar s THR 29 Cb -0.04 -0.71 0.03 0.00 0.01 0.00 0.00 72.50 71.78 2gar s THR 29 CO 0.09 0.25 0.99 -0.69 -0.69 0.00 0.00 174.62 174.57 2gar s VAL 30 N 0.37 4.38 0.06 3.82 1.01 -1.26 -0.68 120.40 128.11 2gar s VAL 30 Ca -0.06 0.81 0.09 0.00 0.00 0.00 0.00 61.98 62.82 2gar s VAL 30 Cb -0.10 -4.50 -0.21 0.00 0.00 0.00 0.00 36.38 31.56 2gar s VAL 30 CO 0.01 -0.93 1.08 0.03 0.00 0.00 0.00 175.10 175.29 2gar h ARG 31 N 9.16 0.00 -2.56 2.72 2.47 -1.14 -3.47 114.38 121.56 2gar h ARG 31 Ca -0.24 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.45 2gar h ARG 31 Cb 1.07 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.24 2gar h ARG 31 CO 1.06 0.83 0.22 0.00 0.56 0.00 0.00 179.97 182.64 2gar s ALA 32 N -2.68 -1.68 -0.09 0.04 0.00 -1.24 -3.99 121.76 112.12 2gar s ALA 32 Ca -0.01 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.83 2gar s ALA 32 Cb 0.09 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.72 2gar s ALA 32 CO 0.82 -0.61 -0.17 0.08 0.00 0.00 0.00 175.76 175.89 2gar s VAL 33 N -2.70 1.52 -0.06 0.00 1.01 -0.07 -1.96 120.40 118.14 2gar s VAL 33 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2gar s VAL 33 Cb -0.01 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2gar s VAL 33 CO -0.04 0.44 -0.13 -0.36 0.00 0.00 0.00 175.10 175.01 2gar s PHE 34 N 0.64 2.75 0.04 5.22 0.40 0.09 -1.52 117.98 125.60 2gar s PHE 34 Ca -0.14 -0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 2gar s PHE 34 Cb -0.16 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 2gar s PHE 34 CO 0.04 0.19 -0.18 0.45 0.70 0.00 0.00 175.22 176.42 2gar s SER 35 N -0.68 2.09 -0.06 1.36 0.15 -0.21 -0.40 113.70 115.95 2gar s SER 35 Ca 0.10 -0.49 0.15 0.00 0.70 0.00 0.00 55.95 56.41 2gar s SER 35 Cb -0.11 -0.16 0.48 0.00 -1.71 0.00 0.00 66.02 64.52 2gar s SER 35 CO 0.01 0.10 1.40 -0.46 1.20 0.00 0.00 173.24 175.49 2gar n ASN 36 N 1.89 3.63 -3.96 5.45 2.04 -1.15 -1.13 115.26 122.03 2gar n ASN 36 Ca -0.17 -2.32 -0.27 0.00 -0.44 0.00 0.00 54.58 51.38 2gar n ASN 36 Cb 0.54 -0.40 -0.17 0.00 -2.53 0.00 0.00 39.78 37.22 2gar n ASN 36 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 2gar s LYS 37 N -1.58 1.71 0.28 -3.83 2.20 -1.26 -4.64 119.74 112.62 2gar s LYS 37 Ca 0.36 -0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.31 2gar s LYS 37 Cb 0.23 -1.63 -0.11 0.00 -1.51 0.00 0.00 37.83 34.80 2gar s LYS 37 CO 0.18 -0.18 1.61 0.00 -0.36 0.00 0.00 175.35 176.60 2gar s ALA 38 N 1.37 3.77 -1.57 3.13 0.00 -1.26 -2.97 121.76 124.23 2gar s ALA 38 Ca -0.01 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2gar s ALA 38 Cb -0.14 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2gar s ALA 38 CO -0.05 -0.96 0.00 -0.25 0.00 0.00 0.00 175.76 174.49 2gar n ASP 39 N 2.47 -5.28 -4.75 0.00 8.00 -1.26 -4.94 116.55 110.79 2gar n ASP 39 Ca 0.09 0.06 -0.39 0.00 0.71 0.00 0.00 54.79 55.27 2gar n ASP 39 Cb 0.37 -4.42 0.03 0.00 -0.02 0.00 0.00 41.12 37.08 2gar n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gar n ALA 40 N -1.97 1.77 0.25 2.24 0.00 -1.16 -4.86 120.51 116.79 2gar n ALA 40 Ca -0.22 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.47 2gar n ALA 40 Cb 0.66 -2.37 0.61 0.00 0.00 0.00 0.00 19.45 18.34 2gar n ALA 40 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2gar h PHE 41 N 1.74 0.00 -0.15 0.00 3.57 -1.75 -2.13 116.94 118.22 2gar h PHE 41 Ca -0.51 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.03 2gar h PHE 41 Cb 1.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2gar h PHE 41 CO 0.47 0.05 0.12 0.78 -2.23 0.00 0.00 178.31 177.49 2gar h GLY 42 N 0.14 0.00 1.34 2.40 0.00 -0.48 0.16 103.07 106.63 2gar h GLY 42 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2gar h GLY 42 CO 0.01 0.00 0.20 1.41 0.00 0.00 0.00 176.54 178.16 2gar h LEU 43 N 0.00 0.77 -0.52 3.11 3.38 -1.65 -1.62 115.31 118.78 2gar h LEU 43 Ca 0.07 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2gar h LEU 43 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2gar h LEU 43 CO -0.00 0.72 -0.10 -0.08 0.09 0.00 0.00 178.44 179.07 2gar h GLU 44 N 0.83 0.99 -0.80 1.13 4.81 -1.09 -0.27 114.58 120.17 2gar h GLU 44 Ca 0.19 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 2gar h GLU 44 Cb 0.21 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2gar h GLU 44 CO -0.01 1.04 0.33 0.00 -0.73 0.00 0.00 179.01 179.64 2gar h ARG 45 N 0.85 1.19 -0.29 1.92 3.08 -1.21 -0.74 114.38 119.18 2gar h ARG 45 Ca 0.14 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2gar h ARG 45 Cb 0.66 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2gar h ARG 45 CO 0.05 0.95 0.01 0.00 -1.07 0.00 0.00 179.97 179.91 2gar h ALA 46 N 1.20 0.39 -0.54 0.04 0.00 -1.00 -2.24 119.26 117.11 2gar h ALA 46 Ca 0.27 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2gar h ALA 46 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2gar h ALA 46 CO -0.02 0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.68 2gar h ARG 47 N 0.30 0.66 -0.35 0.00 3.08 -0.79 -0.51 114.38 116.76 2gar h ARG 47 Ca 0.08 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.16 2gar h ARG 47 Cb 0.40 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2gar h ARG 47 CO 0.01 0.43 0.24 1.96 -1.07 0.00 0.00 179.97 181.55 2gar h GLN 48 N 0.67 0.18 -0.49 0.04 4.20 -0.98 -0.06 115.11 118.68 2gar h GLN 48 Ca 0.21 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2gar h GLN 48 Cb -0.02 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2gar h GLN 48 CO -0.07 0.12 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 2gar n ALA 49 N -2.55 2.42 -1.74 3.87 0.00 -0.70 -4.94 120.51 116.87 2gar n ALA 49 Ca 0.04 -0.88 -0.13 0.00 0.00 0.00 0.00 53.44 52.47 2gar n ALA 49 Cb 0.29 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 2gar n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gar n GLY 50 N 1.32 0.74 3.84 0.00 0.00 -0.04 -5.01 105.19 106.04 2gar n GLY 50 Ca 0.17 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2gar n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gar s ILE 51 N -2.55 5.38 0.48 -0.61 1.01 -0.28 -5.01 121.20 119.62 2gar s ILE 51 Ca 0.00 0.37 -0.24 0.00 0.00 0.00 0.00 60.65 60.78 2gar s ILE 51 Cb 0.00 -3.49 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 2gar s ILE 51 CO 0.00 0.57 1.33 0.00 0.00 0.00 0.00 174.94 176.85 2gar s ALA 52 N -0.76 3.03 0.09 9.38 0.00 -1.26 -4.11 121.76 128.13 2gar s ALA 52 Ca 0.16 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.44 2gar s ALA 52 Cb -0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2gar s ALA 52 CO 0.05 -1.12 -0.09 0.95 0.00 0.00 0.00 175.76 175.55 2gar s THR 53 N -1.31 0.88 -0.06 0.00 -4.23 -1.26 -0.89 115.64 108.77 2gar s THR 53 Ca 0.65 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 59.46 2gar s THR 53 Cb -0.39 -1.34 0.02 0.00 1.34 0.00 0.00 72.50 72.13 2gar s THR 53 CO 0.48 -0.58 0.18 -1.00 -0.54 0.00 0.00 174.62 173.15 2gar s HIS 54 N -2.50 -0.16 -0.09 3.99 3.76 -0.58 -4.94 115.29 114.77 2gar s HIS 54 Ca 0.05 0.39 0.04 0.00 -0.15 0.00 0.00 55.06 55.39 2gar s HIS 54 Cb -0.02 0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.72 2gar s HIS 54 CO -0.01 -0.13 -0.22 0.99 -0.85 0.00 0.00 174.74 174.53 2gar s THR 55 N -0.15 1.89 -0.15 1.30 2.01 -1.26 -1.04 115.64 118.24 2gar s THR 55 Ca -0.02 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.05 2gar s THR 55 Cb -0.02 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.87 2gar s THR 55 CO 0.01 0.52 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.56 2gar s LEU 56 N 0.32 1.72 -0.19 4.42 1.02 -0.29 -4.97 118.68 120.71 2gar s LEU 56 Ca -0.16 -0.51 -0.09 0.00 0.02 0.00 0.00 54.13 53.39 2gar s LEU 56 Cb -0.17 -1.18 -0.05 0.00 0.02 0.00 0.00 46.19 44.82 2gar s LEU 56 CO 0.07 -0.06 0.11 -0.63 0.02 0.00 0.00 176.35 175.85 2gar s ILE 57 N 1.49 5.19 0.23 -0.59 -1.09 -1.26 -4.17 121.20 120.99 2gar s ILE 57 Ca 0.04 0.11 -0.07 0.00 -2.23 0.00 0.00 60.65 58.51 2gar s ILE 57 Cb -0.13 -3.35 0.19 0.00 -1.58 0.00 0.00 42.46 37.59 2gar s ILE 57 CO -0.10 0.46 1.83 0.00 -1.23 0.00 0.00 174.94 175.90 2gar h ALA 58 N 6.57 1.08 0.00 9.38 0.00 -1.96 0.74 119.26 135.07 2gar h ALA 58 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2gar h ALA 58 Cb 1.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2gar h ALA 58 CO 0.73 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 179.03 2gar n SER 59 N -4.69 0.00 -0.05 0.00 3.41 -1.26 -1.24 113.62 109.79 2gar n SER 59 Ca 0.11 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 2gar n SER 59 Cb 0.18 -0.43 0.31 0.00 -0.26 0.00 0.00 64.21 64.01 2gar n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gar n ALA 60 N -1.43 3.36 -2.54 7.33 0.00 0.25 -4.94 120.51 122.56 2gar n ALA 60 Ca 0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 2gar n ALA 60 Cb 0.09 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 2gar n ALA 60 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2gar s PHE 61 N -2.88 2.49 0.29 0.00 0.40 -0.37 -5.04 117.98 112.87 2gar s PHE 61 Ca 0.14 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 56.11 2gar s PHE 61 Cb 0.18 -1.40 0.42 0.00 0.51 0.00 0.00 43.02 42.72 2gar s PHE 61 CO 0.65 0.53 1.67 -0.44 0.70 0.00 0.00 175.22 178.33 2gar h ASP 62 N 1.91 0.21 -5.14 1.36 3.32 -1.92 -3.48 116.42 112.68 2gar h ASP 62 Ca -0.42 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 56.62 2gar h ASP 62 Cb 1.25 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 2gar h ASP 62 CO 0.67 0.65 0.35 -0.94 -1.72 0.00 0.00 179.24 178.25 2gar s SER 63 N -6.88 -0.15 0.23 6.45 1.04 -1.26 -5.01 113.70 108.12 2gar s SER 63 Ca -0.04 -0.68 -0.07 0.00 0.48 0.00 0.00 55.95 55.65 2gar s SER 63 Cb 0.13 0.66 0.22 0.00 0.10 0.00 0.00 66.02 67.13 2gar s SER 63 CO 0.77 -1.26 1.87 0.03 0.98 0.00 0.00 173.24 175.63 2gar h ARG 64 N 2.00 1.27 0.14 4.02 3.08 -1.94 -2.07 114.38 120.88 2gar h ARG 64 Ca -0.24 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2gar h ARG 64 Cb 1.24 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2gar h ARG 64 CO 0.29 0.91 -0.11 0.93 -1.07 0.00 0.00 179.97 180.92 2gar h GLU 65 N 1.28 -0.26 -0.86 0.04 5.08 -1.99 0.34 114.58 118.22 2gar h GLU 65 Ca 0.33 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 2gar h GLU 65 Cb -0.01 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2gar h GLU 65 CO -0.06 -0.17 0.56 0.00 -1.00 0.00 0.00 179.01 178.34 2gar h ALA 66 N 0.58 1.13 0.06 3.43 0.00 -1.91 -1.13 119.26 121.42 2gar h ALA 66 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gar h ALA 66 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2gar h ALA 66 CO -0.01 0.41 -0.03 -0.92 0.00 0.00 0.00 179.25 178.70 2gar h TYR 67 N 1.09 -0.08 -0.62 0.00 5.03 -1.09 -2.18 116.97 119.12 2gar h TYR 67 Ca 0.34 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.63 2gar h TYR 67 Cb -0.01 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.26 2gar h TYR 67 CO -0.02 0.07 0.32 -0.44 -1.32 0.00 0.00 178.16 176.76 2gar h ASP 68 N -0.21 0.78 -0.35 -2.11 3.32 -0.57 -0.36 116.42 116.91 2gar h ASP 68 Ca -0.01 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 2gar h ASP 68 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2gar h ASP 68 CO 0.01 0.65 -0.21 0.03 -1.72 0.00 0.00 179.24 178.00 2gar h ARG 69 N 0.87 0.84 -0.30 3.56 3.08 -1.13 -1.71 114.38 119.59 2gar h ARG 69 Ca 0.22 -0.34 -0.17 0.00 0.07 0.00 0.00 59.98 59.76 2gar h ARG 69 Cb 0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2gar h ARG 69 CO -0.03 0.98 -0.48 0.00 -1.07 0.00 0.00 179.97 179.36 2gar h ALA 70 N 1.02 0.58 -0.36 0.04 0.00 -0.89 -1.69 119.26 117.96 2gar h ALA 70 Ca 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2gar h ALA 70 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2gar h ALA 70 CO 0.06 0.68 0.15 1.25 0.00 0.00 0.00 179.25 181.38 2gar h LEU 71 N 0.65 0.50 -0.39 0.00 5.85 -0.95 -1.68 115.31 119.29 2gar h LEU 71 Ca 0.03 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2gar h LEU 71 Cb 1.06 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2gar h LEU 71 CO 0.11 0.53 0.07 0.40 -0.34 0.00 0.00 178.44 179.21 2gar h ILE 72 N 0.44 1.24 -0.75 4.05 2.04 -1.30 -0.81 117.51 122.43 2gar h ILE 72 Ca 0.12 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.15 2gar h ILE 72 Cb 0.19 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2gar h ILE 72 CO -0.01 0.29 0.50 -0.74 0.00 0.00 0.00 178.15 178.18 2gar h HIS 73 N 0.49 0.94 -0.17 1.37 2.76 -1.21 -0.32 115.15 119.01 2gar h HIS 73 Ca 0.12 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 2gar h HIS 73 Cb 0.35 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2gar h HIS 73 CO 0.02 0.59 -0.24 0.93 -1.30 0.00 0.00 177.93 177.93 2gar h GLU 74 N 1.01 0.46 -0.47 5.26 5.08 -1.18 -3.01 114.58 121.73 2gar h GLU 74 Ca 0.28 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2gar h GLU 74 Cb -0.11 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2gar h GLU 74 CO -0.06 0.86 0.30 0.82 -1.00 0.00 0.00 179.01 179.93 2gar h ILE 75 N 0.10 1.10 -0.01 3.13 2.04 -1.00 -2.61 117.51 120.25 2gar h ILE 75 Ca 0.02 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2gar h ILE 75 Cb 0.81 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2gar h ILE 75 CO 0.06 0.11 0.03 0.44 0.00 0.00 0.00 178.15 178.79 2gar h ASP 76 N 0.61 0.00 0.41 1.72 5.19 -1.02 0.14 116.42 123.47 2gar h ASP 76 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2gar h ASP 76 Cb -0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.46 2gar h ASP 76 CO -0.05 0.00 0.00 0.24 -3.12 0.00 0.00 179.24 176.31 2gar h MET 77 N 0.00 0.00 -0.28 3.56 2.86 -1.33 -2.06 114.93 117.69 2gar h MET 77 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2gar h MET 77 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2gar h MET 77 CO -0.00 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.63 2gar n TYR 78 N -2.70 0.34 -3.91 -0.22 4.01 0.04 -5.01 117.16 109.70 2gar n TYR 78 Ca -0.01 -0.17 -0.40 0.00 -0.16 0.00 0.00 57.90 57.16 2gar n TYR 78 Cb 0.15 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.21 2gar n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gar n ALA 79 N 1.44 -2.61 -1.87 -0.72 0.00 -0.78 -4.88 120.51 111.09 2gar n ALA 79 Ca 0.18 -0.44 -0.41 0.00 0.00 0.00 0.00 53.44 52.76 2gar n ALA 79 Cb 0.60 -2.99 -0.04 0.00 0.00 0.00 0.00 19.45 17.03 2gar n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2gar s PRO 80 N -6.72 4.55 0.13 0.00 0.04 -1.26 -4.58 135.00 127.17 2gar s PRO 80 Ca 0.45 1.87 0.22 0.00 0.04 0.00 0.00 61.00 63.58 2gar s PRO 80 Cb -0.22 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 2gar s PRO 80 CO 0.93 0.06 0.89 -0.25 0.04 0.00 0.00 177.00 178.67 2gar n ASP 81 N 1.65 0.68 -3.72 6.66 8.00 -0.00 -4.85 116.55 124.97 2gar n ASP 81 Ca 0.01 0.27 -0.11 0.00 0.71 0.00 0.00 54.79 55.67 2gar n ASP 81 Cb 0.44 0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 42.13 2gar n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2gar s VAL 82 N -3.32 -0.02 -0.27 2.53 0.11 -1.07 -4.80 120.40 113.56 2gar s VAL 82 Ca -0.02 0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.06 2gar s VAL 82 Cb 0.10 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 2gar s VAL 82 CO 0.82 0.04 0.04 -0.69 -3.33 0.00 0.00 175.10 171.97 2gar s VAL 83 N 1.11 3.79 -0.15 2.04 1.01 0.45 -1.85 120.40 126.79 2gar s VAL 83 Ca -0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2gar s VAL 83 Cb -0.08 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2gar s VAL 83 CO -0.09 0.20 -0.10 0.68 0.00 0.00 0.00 175.10 175.79 2gar s VAL 84 N 1.50 3.24 -0.22 2.92 -7.23 -0.11 -1.53 120.40 118.97 2gar s VAL 84 Ca 0.04 -0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 59.43 2gar s VAL 84 Cb -0.16 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2gar s VAL 84 CO 0.01 0.50 0.55 -0.76 -0.31 0.00 0.00 175.10 175.10 2gar s LEU 85 N 0.53 4.11 -0.54 1.32 1.43 -0.07 -0.77 118.68 124.69 2gar s LEU 85 Ca -0.07 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 2gar s LEU 85 Cb -0.15 -2.75 0.17 0.00 0.03 0.00 0.00 46.19 43.48 2gar s LEU 85 CO 0.04 -0.25 0.40 0.00 0.23 0.00 0.00 176.35 176.77 2gar s ALA 86 N 1.95 2.46 0.00 4.21 0.00 -0.04 -3.63 121.76 126.71 2gar s ALA 86 Ca 0.25 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 49.17 2gar s ALA 86 Cb -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2gar s ALA 86 CO 0.09 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.23 2gar n GLY 87 N 2.54 0.60 3.58 0.00 0.00 -1.26 -4.41 105.19 106.23 2gar n GLY 87 Ca 0.24 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2gar n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gar s PHE 88 N -2.00 2.87 -1.52 1.61 5.36 -1.25 -2.18 117.98 120.87 2gar s PHE 88 Ca 0.00 0.48 0.29 0.00 -0.96 0.00 0.00 56.93 56.74 2gar s PHE 88 Cb 0.00 -4.15 1.29 0.00 -0.34 0.00 0.00 43.02 39.83 2gar s PHE 88 CO 0.00 -1.18 1.91 -1.33 -1.46 0.00 0.00 175.22 173.16 2gar n MET 89 N 7.43 0.54 -2.43 10.12 2.81 -1.26 -4.91 117.12 129.42 2gar n MET 89 Ca 0.08 -0.14 -0.40 0.00 -1.81 0.00 0.00 57.70 55.43 2gar n MET 89 Cb 0.49 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.46 2gar n MET 89 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2gar s ARG 90 N -2.55 4.58 -0.15 0.03 3.52 -1.26 -4.99 118.95 118.13 2gar s ARG 90 Ca 0.27 1.84 -0.29 0.00 -0.13 0.00 0.00 55.73 57.42 2gar s ARG 90 Cb 0.20 -3.15 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 2gar s ARG 90 CO 0.48 0.15 1.11 0.42 -0.81 0.00 0.00 175.30 176.65 2gar s ILE 91 N -1.18 4.55 0.59 4.11 1.01 -1.26 -5.00 121.20 124.02 2gar s ILE 91 Ca 0.46 1.85 -0.15 0.00 0.00 0.00 0.00 60.65 62.81 2gar s ILE 91 Cb -0.33 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 2gar s ILE 91 CO 0.42 -0.09 1.04 -0.76 0.00 0.00 0.00 174.94 175.55 2gar s LEU 92 N 2.78 3.46 0.31 2.97 1.43 -1.02 -5.06 118.68 123.55 2gar s LEU 92 Ca 0.50 1.72 -0.10 0.00 -1.03 0.00 0.00 54.13 55.22 2gar s LEU 92 Cb -0.19 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 2gar s LEU 92 CO 0.14 -1.08 0.65 -0.94 0.23 0.00 0.00 176.35 175.34 2gar s SER 93 N -3.05 6.59 0.48 2.29 1.04 -1.26 -4.69 113.70 115.09 2gar s SER 93 Ca 0.61 1.00 0.14 0.00 0.48 0.00 0.00 55.95 58.19 2gar s SER 93 Cb -0.14 -2.26 1.14 0.00 0.10 0.00 0.00 66.02 64.85 2gar s SER 93 CO 0.39 -0.21 2.08 -0.65 0.98 0.00 0.00 173.24 175.83 2gar h PRO 94 N 1.95 0.21 -0.65 4.02 0.11 -1.97 -1.21 132.00 134.45 2gar h PRO 94 Ca -0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2gar h PRO 94 Cb 1.18 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2gar h PRO 94 CO 0.66 0.14 0.11 0.00 -0.21 0.00 0.00 178.00 178.70 2gar h ALA 95 N 1.85 0.87 -0.14 -0.75 0.00 -1.99 0.63 119.26 119.74 2gar h ALA 95 Ca 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2gar h ALA 95 Cb 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2gar h ALA 95 CO -0.02 0.63 -0.03 0.35 0.00 0.00 0.00 179.25 180.18 2gar h PHE 96 N 1.00 0.30 -0.66 0.00 3.04 -1.65 -0.33 116.94 118.64 2gar h PHE 96 Ca 0.20 -0.06 0.03 0.00 3.98 0.00 0.00 57.97 62.12 2gar h PHE 96 Cb 0.43 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.83 2gar h PHE 96 CO 0.03 0.55 0.40 0.28 -2.02 0.00 0.00 178.31 177.56 2gar h VAL 97 N -0.05 1.07 -0.27 1.41 2.07 -1.10 -2.29 116.25 117.09 2gar h VAL 97 Ca 0.03 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2gar h VAL 97 Cb 0.46 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2gar h VAL 97 CO 0.01 0.14 0.06 -1.28 0.02 0.00 0.00 177.57 176.53 2gar h SER 98 N 0.78 0.41 -0.55 0.57 0.87 -0.80 -2.34 113.55 112.48 2gar h SER 98 Ca 0.27 -0.24 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 2gar h SER 98 Cb 0.04 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 2gar h SER 98 CO -0.12 0.54 0.37 -0.74 -0.53 0.00 0.00 176.83 176.35 2gar h HIS 99 N 0.26 0.50 -0.35 2.24 6.17 -0.60 -2.42 115.15 120.94 2gar h HIS 99 Ca 0.08 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.18 2gar h HIS 99 Cb 0.29 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.06 2gar h HIS 99 CO 0.01 0.27 0.00 0.66 0.71 0.00 0.00 177.93 179.58 2gar n TYR 100 N -4.47 1.02 -1.59 5.26 4.01 -0.90 -5.04 117.16 115.45 2gar n TYR 100 Ca 0.08 -0.76 -0.50 0.00 -0.16 0.00 0.00 57.90 56.57 2gar n TYR 100 Cb 0.26 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 38.97 2gar n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gar n ALA 101 N -0.01 -0.60 -0.12 -0.72 0.00 -0.89 -0.75 120.51 117.43 2gar n ALA 101 Ca 0.20 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2gar n ALA 101 Cb 0.83 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2gar n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gar n GLY 102 N 2.29 2.45 0.80 0.00 0.00 -1.26 -4.76 105.19 104.71 2gar n GLY 102 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2gar n GLY 102 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2gar n ARG 103 N -2.00 0.21 -4.09 1.61 1.85 0.08 -4.59 116.66 109.72 2gar n ARG 103 Ca 0.00 -1.62 -0.33 0.00 -1.00 0.00 0.00 57.85 54.90 2gar n ARG 103 Cb 0.00 -0.49 -0.16 0.00 -1.05 0.00 0.00 32.46 30.76 2gar n ARG 103 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2gar s LEU 104 N -0.46 2.45 0.24 2.89 2.96 -0.98 -0.41 118.68 125.37 2gar s LEU 104 Ca 0.17 -0.78 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 2gar s LEU 104 Cb 0.18 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2gar s LEU 104 CO -0.06 -0.04 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.12 2gar s LEU 105 N 1.27 3.09 -0.03 -0.68 1.43 -0.58 -0.25 118.68 122.93 2gar s LEU 105 Ca 0.02 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 2gar s LEU 105 Cb -0.14 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2gar s LEU 105 CO -0.11 0.04 0.25 0.21 0.23 0.00 0.00 176.35 176.98 2gar s ASN 106 N -3.38 -0.15 -0.13 2.29 3.04 -0.81 -0.89 114.94 114.91 2gar s ASN 106 Ca 0.29 0.09 -0.02 0.00 0.04 0.00 0.00 52.86 53.26 2gar s ASN 106 Cb -0.07 0.33 -0.03 0.00 -1.54 0.00 0.00 41.25 39.94 2gar s ASN 106 CO 0.18 -0.36 -0.05 -0.51 -3.04 0.00 0.00 177.10 173.32 2gar s ILE 107 N -1.06 3.80 -0.16 -5.21 1.10 -1.24 -0.94 121.20 117.50 2gar s ILE 107 Ca -0.11 -0.40 -0.01 0.00 -0.51 0.00 0.00 60.65 59.62 2gar s ILE 107 Cb -0.05 -2.63 -0.01 0.00 0.15 0.00 0.00 42.46 39.91 2gar s ILE 107 CO 0.03 0.52 -0.12 -2.28 -2.11 0.00 0.00 174.94 170.98 2gar s HIS 108 N 0.07 2.83 -1.06 3.50 5.65 0.19 -4.83 115.29 121.65 2gar s HIS 108 Ca -0.01 -0.83 0.00 0.00 0.25 0.00 0.00 55.06 54.47 2gar s HIS 108 Cb -0.14 -1.91 0.00 0.00 -1.18 0.00 0.00 32.58 29.36 2gar s HIS 108 CO 0.03 -0.36 0.30 -2.30 -0.65 0.00 0.00 174.74 171.76 2gar n PRO 109 N 3.94 0.56 -3.94 2.88 -0.02 -1.26 -2.07 135.00 135.09 2gar n PRO 109 Ca -0.18 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.13 2gar n PRO 109 Cb 0.52 -1.26 -0.16 0.00 -0.02 0.00 0.00 33.50 32.58 2gar n PRO 109 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2gar s SER 110 N -0.50 0.41 -0.03 2.55 0.15 -1.26 -4.63 113.70 110.40 2gar s SER 110 Ca 0.00 -0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.32 2gar s SER 110 Cb 0.00 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 64.03 2gar s SER 110 CO 0.00 -0.09 1.77 -1.00 1.20 0.00 0.00 173.24 175.13 2gar s HIS 132 N 0.91 1.72 0.02 3.44 0.09 -1.26 -4.04 115.29 116.18 2gar s HIS 132 Ca -0.09 -0.02 -0.29 0.00 -0.00 0.00 0.00 55.06 54.67 2gar s HIS 132 Cb -0.13 -4.03 0.11 0.00 -0.00 0.00 0.00 32.58 28.53 2gar s HIS 132 CO -0.02 -4.42 1.23 0.20 -0.00 0.00 0.00 174.74 171.73 2gar s GLY 133 N 3.85 -0.29 0.16 -2.22 0.00 -1.26 0.03 107.32 107.59 2gar s GLY 133 Ca 0.79 0.41 0.09 0.00 0.00 0.00 0.00 44.72 46.01 2gar s GLY 133 CO 0.34 1.37 -0.20 -1.59 0.00 0.00 0.00 173.10 173.02 2gar s THR 134 N -2.42 1.92 -0.13 0.90 2.01 -0.58 -4.64 115.64 112.69 2gar s THR 134 Ca 0.18 -1.91 -0.19 0.00 0.31 0.00 0.00 61.69 60.08 2gar s THR 134 Cb 0.03 -1.87 0.05 0.00 0.01 0.00 0.00 72.50 70.71 2gar s THR 134 CO -0.02 -0.25 0.48 -0.94 -0.69 0.00 0.00 174.62 173.20 2gar s SER 135 N -2.59 -0.47 -0.07 3.53 1.04 -0.88 -0.25 113.70 114.01 2gar s SER 135 Ca 0.16 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.38 2gar s SER 135 Cb -0.07 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.83 2gar s SER 135 CO 0.07 -0.29 -0.12 0.54 0.98 0.00 0.00 173.24 174.42 2gar s VAL 136 N -0.26 3.25 0.34 5.02 0.11 -0.33 0.55 120.40 129.08 2gar s VAL 136 Ca -0.04 -0.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 2gar s VAL 136 Cb -0.03 -2.30 -0.06 0.00 -1.53 0.00 0.00 36.38 32.45 2gar s VAL 136 CO 0.03 0.58 0.05 -1.00 -3.33 0.00 0.00 175.10 171.44 2gar s HIS 137 N -0.61 2.02 -0.10 1.54 3.76 -0.11 -0.78 115.29 121.00 2gar s HIS 137 Ca 0.09 -0.93 -0.14 0.00 -0.15 0.00 0.00 55.06 53.92 2gar s HIS 137 Cb -0.11 -1.34 -0.05 0.00 1.11 0.00 0.00 32.58 32.19 2gar s HIS 137 CO 0.01 0.05 0.35 -0.06 -0.85 0.00 0.00 174.74 174.24 2gar s PHE 138 N -3.23 3.56 -0.25 1.40 0.08 -0.74 -1.93 117.98 116.86 2gar s PHE 138 Ca 0.36 0.76 -0.24 0.00 0.12 0.00 0.00 56.93 57.93 2gar s PHE 138 Cb 0.09 -2.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2gar s PHE 138 CO 0.16 0.38 0.79 0.08 -0.10 0.00 0.00 175.22 176.52 2gar s VAL 139 N -0.05 4.86 0.00 -0.44 1.01 0.65 -3.41 120.40 123.02 2gar s VAL 139 Ca 0.20 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2gar s VAL 139 Cb -0.14 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2gar s VAL 139 CO 0.08 -0.07 0.45 0.35 0.00 0.00 0.00 175.10 175.90 2gar n THR 140 N 5.27 0.02 -4.28 3.92 -2.24 0.13 -4.70 114.28 112.41 2gar n THR 140 Ca 0.04 -0.45 -0.15 0.00 -2.27 0.00 0.00 64.05 61.22 2gar n THR 140 Cb 0.48 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.72 2gar n THR 140 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2gar s ASP 141 N -0.02 0.84 0.33 3.42 1.47 -0.85 -4.99 116.67 116.88 2gar s ASP 141 Ca 0.00 -1.38 0.25 0.00 1.18 0.00 0.00 52.55 52.60 2gar s ASP 141 Cb 0.00 0.23 1.14 0.00 -0.34 0.00 0.00 42.92 43.95 2gar s ASP 141 CO 0.00 -0.77 1.77 -0.33 0.68 0.00 0.00 175.17 176.52 2gar h GLU 142 N 2.47 0.00 -0.58 2.11 3.07 -1.89 -2.98 114.58 116.78 2gar h GLU 142 Ca -0.37 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.46 2gar h GLU 142 Cb 1.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.14 2gar h GLU 142 CO 0.58 0.00 0.03 1.28 -1.40 0.00 0.00 179.01 179.50 2gar n LEU 143 N -2.39 5.71 -0.16 1.33 4.77 -1.26 -2.44 117.00 122.55 2gar n LEU 143 Ca 0.01 -2.97 -0.02 0.00 -0.03 0.00 0.00 56.01 52.99 2gar n LEU 143 Cb 0.19 -0.69 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 2gar n LEU 143 CO 0.19 0.65 -0.02 0.47 -1.33 0.00 0.00 177.39 177.35 2gar n ASP 144 N 0.48 -3.66 -4.94 -1.43 8.00 -1.12 -5.03 116.55 108.84 2gar n ASP 144 Ca 0.29 0.05 -0.24 0.00 0.71 0.00 0.00 54.79 55.60 2gar n ASP 144 Cb 1.21 -1.34 0.01 0.00 -0.02 0.00 0.00 41.12 40.98 2gar n ASP 144 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2gar s GLY 145 N -2.40 1.57 0.00 0.44 0.00 -1.26 -4.69 107.32 100.98 2gar s GLY 145 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2gar s GLY 145 CO 0.00 -0.76 0.00 0.61 0.00 0.00 0.00 173.10 172.95 2gar n GLY 146 N -2.19 -1.30 3.76 0.20 0.00 -1.22 0.17 105.19 104.61 2gar n GLY 146 Ca 0.02 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 2gar n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gar s PRO 147 N -2.00 4.16 0.10 1.61 0.04 -1.22 -4.63 135.00 133.05 2gar s PRO 147 Ca 0.00 2.51 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 2gar s PRO 147 Cb 0.00 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.45 2gar s PRO 147 CO 0.00 -0.54 1.12 0.08 0.04 0.00 0.00 177.00 177.70 2gar s VAL 148 N -0.36 4.10 -0.24 -0.36 1.01 -1.26 -1.80 120.40 121.49 2gar s VAL 148 Ca 0.59 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 64.01 2gar s VAL 148 Cb -0.46 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 31.73 2gar s VAL 148 CO 0.51 0.19 -0.08 -0.38 0.00 0.00 0.00 175.10 175.35 2gar n ILE 149 N 3.28 1.53 -3.70 2.22 5.41 0.04 -3.54 119.36 124.60 2gar n ILE 149 Ca 0.06 -0.19 -0.14 0.00 1.00 0.00 0.00 62.75 63.48 2gar n ILE 149 Cb 0.47 -1.97 -0.09 0.00 -0.71 0.00 0.00 39.64 37.34 2gar n ILE 149 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2gar s LEU 150 N -7.70 0.19 0.06 1.39 2.96 -1.21 -0.34 118.68 114.02 2gar s LEU 150 Ca -0.33 0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 54.27 2gar s LEU 150 Cb 0.10 1.69 -0.00 0.00 0.50 0.00 0.00 46.19 48.48 2gar s LEU 150 CO 0.53 -0.27 0.16 0.00 -1.32 0.00 0.00 176.35 175.46 2gar s GLN 151 N -0.21 0.72 0.11 1.98 -2.07 -1.26 -1.19 119.66 117.74 2gar s GLN 151 Ca -0.04 -0.78 0.01 0.00 -1.82 0.00 0.00 55.36 52.73 2gar s GLN 151 Cb -0.03 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.14 2gar s GLN 151 CO 0.02 -0.21 -0.03 0.00 -1.32 0.00 0.00 175.29 173.76 2gar s ALA 152 N -3.05 0.94 0.02 2.60 0.00 0.65 -4.97 121.76 117.95 2gar s ALA 152 Ca -0.01 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.62 2gar s ALA 152 Cb 0.01 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 2gar s ALA 152 CO -0.07 -0.31 -0.13 0.15 0.00 0.00 0.00 175.76 175.41 2gar s LYS 153 N -3.89 2.31 -0.18 0.00 1.02 -1.26 -1.53 119.74 116.21 2gar s LYS 153 Ca 0.15 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.27 2gar s LYS 153 Cb 0.06 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 2gar s LYS 153 CO -0.03 0.57 -0.11 0.08 -0.92 0.00 0.00 175.35 174.94 2gar s VAL 154 N -0.96 2.98 0.34 3.17 1.01 0.10 -4.94 120.40 122.11 2gar s VAL 154 Ca 0.16 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 2gar s VAL 154 Cb -0.11 -2.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.87 2gar s VAL 154 CO 0.06 0.48 0.90 -2.16 0.00 0.00 0.00 175.10 174.39 2gar s PRO 155 N 1.00 4.40 0.26 2.72 0.04 -1.26 -4.41 135.00 137.74 2gar s PRO 155 Ca -0.01 1.16 0.10 0.00 0.04 0.00 0.00 61.00 62.28 2gar s PRO 155 Cb -0.15 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 2gar s PRO 155 CO -0.02 0.20 -0.02 0.14 0.04 0.00 0.00 177.00 177.34 2gar s VAL 156 N -1.79 3.37 0.04 -0.36 -7.23 -1.26 -5.05 120.40 108.12 2gar s VAL 156 Ca 0.53 -1.92 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 2gar s VAL 156 Cb -0.15 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 2gar s VAL 156 CO 0.20 -0.35 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.27 2gar s PHE 157 N -2.28 0.41 0.33 2.82 0.08 -1.26 -5.07 117.98 113.00 2gar s PHE 157 Ca 0.31 -0.85 -0.29 0.00 0.12 0.00 0.00 56.93 56.22 2gar s PHE 157 Cb -0.07 -0.30 -0.12 0.00 -0.57 0.00 0.00 43.02 41.96 2gar s PHE 157 CO 0.19 -0.33 1.35 0.00 -0.10 0.00 0.00 175.22 176.32 2gar n ALA 158 N 0.56 1.46 0.00 5.36 0.00 -1.26 -1.23 120.51 125.40 2gar n ALA 158 Ca -0.17 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2gar n ALA 158 Cb 0.59 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2gar n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gar n GLY 159 N 1.04 1.86 3.71 0.00 0.00 -1.26 -5.03 105.19 105.50 2gar n GLY 159 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2gar n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gar s ASP 160 N -1.79 6.59 0.21 1.61 1.01 -0.36 -5.00 116.67 118.94 2gar s ASP 160 Ca 0.00 2.57 -0.15 0.00 0.71 0.00 0.00 52.55 55.68 2gar s ASP 160 Cb 0.00 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 2gar s ASP 160 CO 0.00 -0.85 0.63 -0.55 0.21 0.00 0.00 175.17 174.61 2gar s SER 161 N 1.65 6.85 0.63 0.27 0.15 -1.26 -4.94 113.70 117.05 2gar s SER 161 Ca 0.72 1.18 0.32 0.00 0.70 0.00 0.00 55.95 58.86 2gar s SER 161 Cb -0.42 -2.33 1.74 0.00 -1.71 0.00 0.00 66.02 63.30 2gar s SER 161 CO 0.32 0.01 2.05 -0.33 1.20 0.00 0.00 173.24 176.49 2gar h GLU 162 N 3.17 0.00 -0.00 5.44 4.39 -2.00 1.18 114.58 126.77 2gar h GLU 162 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2gar h GLU 162 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2gar h GLU 162 CO 0.66 0.00 -0.29 -0.25 -1.16 0.00 0.00 179.01 177.97 2gar n ASP 163 N -3.37 0.61 0.01 1.42 8.00 -1.26 -2.28 116.55 119.68 2gar n ASP 163 Ca 0.01 -0.45 -0.18 0.00 0.71 0.00 0.00 54.79 54.88 2gar n ASP 163 Cb 0.36 0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 41.39 2gar n ASP 163 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2gar h ASP 164 N 0.51 0.33 0.18 -2.24 5.19 1.00 -3.16 116.42 118.22 2gar h ASP 164 Ca 0.00 -0.67 -0.01 0.00 -0.62 0.00 0.00 57.03 55.73 2gar h ASP 164 Cb 0.47 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.88 2gar h ASP 164 CO 0.00 1.59 -0.09 0.40 -3.12 0.00 0.00 179.24 178.02 2gar h ILE 165 N 0.06 0.91 0.17 0.35 1.08 -1.13 -2.54 117.51 116.41 2gar h ILE 165 Ca -0.36 -0.52 0.02 0.00 -0.39 0.00 0.00 64.86 63.61 2gar h ILE 165 Cb 2.03 1.22 -0.04 0.00 -3.07 0.00 0.00 36.82 36.97 2gar h ILE 165 CO 0.10 0.12 -0.36 0.71 -0.69 0.00 0.00 178.15 178.04 2gar h THR 166 N -0.50 0.26 -0.83 -0.27 1.35 -1.62 0.53 112.91 111.84 2gar h THR 166 Ca -0.03 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 66.04 2gar h THR 166 Cb 0.38 0.26 -0.13 0.00 -1.73 0.00 0.00 68.15 66.93 2gar h THR 166 CO 0.04 0.00 0.17 0.00 -0.25 0.00 0.00 175.52 175.48 2gar h ALA 167 N -0.05 1.10 -0.46 6.62 0.00 -1.57 1.45 119.26 126.35 2gar h ALA 167 Ca 0.02 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2gar h ALA 167 Cb 0.62 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2gar h ALA 167 CO -0.18 -0.43 0.15 -0.09 0.00 0.00 0.00 179.25 178.69 2gar h ARG 168 N 0.20 0.71 -0.38 0.00 2.43 -0.95 0.12 114.38 116.51 2gar h ARG 168 Ca 0.50 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 2gar h ARG 168 Cb 0.95 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2gar h ARG 168 CO -0.64 0.68 0.07 0.28 -1.51 0.00 0.00 179.97 178.85 2gar h VAL 169 N 0.60 1.24 -0.42 0.20 2.07 0.17 -0.89 116.25 119.23 2gar h VAL 169 Ca 0.15 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 2gar h VAL 169 Cb 0.26 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2gar h VAL 169 CO -0.01 0.29 -0.01 1.56 0.02 0.00 0.00 177.57 179.42 2gar h GLN 170 N 0.47 0.68 -0.48 1.57 4.20 0.20 0.31 115.11 122.06 2gar h GLN 170 Ca 0.12 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 2gar h GLN 170 Cb 0.35 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2gar h GLN 170 CO 0.01 0.71 -0.09 1.15 -0.67 0.00 0.00 178.83 179.93 2gar h THR 171 N 0.64 1.26 -0.53 -0.54 2.02 -0.56 -1.97 112.91 113.24 2gar h THR 171 Ca 0.13 -1.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.02 2gar h THR 171 Cb 0.42 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2gar h THR 171 CO 0.02 0.41 -0.09 -0.61 0.37 0.00 0.00 175.52 175.62 2gar h GLN 172 N 0.78 0.97 -0.57 6.66 4.15 -0.14 -2.74 115.11 124.22 2gar h GLN 172 Ca 0.13 -0.34 -0.06 0.00 0.77 0.00 0.00 58.65 59.15 2gar h GLN 172 Cb 0.60 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 2gar h GLN 172 CO 0.04 1.01 0.10 0.93 -1.93 0.00 0.00 178.83 178.97 2gar h GLU 173 N 0.87 0.93 0.00 1.69 5.08 -0.72 -1.49 114.58 120.94 2gar h GLU 173 Ca 0.14 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2gar h GLU 173 Cb 0.63 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2gar h GLU 173 CO 0.04 0.89 0.00 0.45 -1.00 0.00 0.00 179.01 179.39 2gar h HIS 174 N 0.83 0.00 0.00 4.33 3.86 -1.20 -2.03 115.15 120.94 2gar h HIS 174 Ca 0.17 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.15 2gar h HIS 174 Cb 0.40 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 2gar h HIS 174 CO 0.03 0.00 -1.34 0.00 0.86 0.00 0.00 177.93 177.48 2gar n ALA 175 N -1.94 0.80 0.09 2.45 0.00 -0.89 -4.44 120.51 116.58 2gar n ALA 175 Ca -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.83 2gar n ALA 175 Cb 0.18 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 2gar n ALA 175 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2gar h ILE 176 N -1.00 1.58 0.11 0.00 3.07 -1.24 -3.21 117.51 116.81 2gar h ILE 176 Ca -0.35 -2.95 -0.01 0.00 1.55 0.00 0.00 64.86 63.10 2gar h ILE 176 Cb 1.26 2.61 0.00 0.00 -0.27 0.00 0.00 36.82 40.42 2gar h ILE 176 CO -0.21 0.83 -0.05 0.22 -1.05 0.00 0.00 178.15 177.89 2gar h TYR 177 N 0.00 -0.13 -0.10 0.16 3.20 -1.62 -0.48 116.97 117.99 2gar h TYR 177 Ca -0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2gar h TYR 177 Cb 1.54 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 2gar h TYR 177 CO 0.00 0.12 -0.00 -1.35 -1.64 0.00 0.00 178.16 175.28 2gar h PRO 178 N -0.37 0.14 0.09 1.82 0.11 -1.78 0.31 132.00 132.33 2gar h PRO 178 Ca -0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2gar h PRO 178 Cb 0.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2gar h PRO 178 CO 0.02 0.16 -0.04 1.25 -0.21 0.00 0.00 178.00 179.18 2gar h LEU 179 N 0.14 -0.10 -0.59 2.35 5.85 -1.51 0.17 115.31 121.62 2gar h LEU 179 Ca 0.04 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2gar h LEU 179 Cb 0.11 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2gar h LEU 179 CO 0.00 0.23 0.34 0.58 -0.34 0.00 0.00 178.44 179.25 2gar h VAL 180 N -0.45 1.18 -0.45 1.05 2.07 -0.74 -1.93 116.25 116.98 2gar h VAL 180 Ca -0.01 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2gar h VAL 180 Cb 0.38 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2gar h VAL 180 CO 0.02 0.19 0.11 0.40 0.02 0.00 0.00 177.57 178.32 2gar h ILE 181 N 0.79 1.20 -0.09 4.57 2.04 -0.89 -1.68 117.51 123.45 2gar h ILE 181 Ca 0.21 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 2gar h ILE 181 Cb 0.02 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2gar h ILE 181 CO -0.04 0.26 -0.12 0.77 0.00 0.00 0.00 178.15 179.02 2gar h SER 182 N 0.65 0.12 -0.26 1.72 4.64 -0.20 0.96 113.55 121.19 2gar h SER 182 Ca 0.15 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.32 2gar h SER 182 Cb 0.24 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2gar h SER 182 CO -0.00 0.26 -0.31 -0.50 -0.87 0.00 0.00 176.83 175.41 2gar h TRP 183 N 0.13 0.90 -0.11 4.77 6.55 -0.80 -2.17 115.95 125.22 2gar h TRP 183 Ca 0.03 -0.24 -0.06 0.00 0.95 0.00 0.00 58.89 59.57 2gar h TRP 183 Cb 0.29 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 28.39 2gar h TRP 183 CO 0.00 0.99 -0.17 0.35 -1.05 0.00 0.00 178.44 178.56 2gar h PHE 184 N 0.66 0.39 -0.10 0.49 3.57 -0.86 -1.58 116.94 119.51 2gar h PHE 184 Ca 0.07 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.47 2gar h PHE 184 Cb 0.85 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2gar h PHE 184 CO 0.04 0.77 0.11 0.00 -2.23 0.00 0.00 178.31 177.00 2gar h ALA 185 N 0.55 1.72 -0.00 2.41 0.00 -0.79 -1.12 119.26 122.02 2gar h ALA 185 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gar h ALA 185 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2gar h ALA 185 CO 0.04 -0.16 -0.21 -0.25 0.00 0.00 0.00 179.25 178.67 2gar n ASP 186 N -3.89 0.51 0.00 0.00 8.00 -0.82 -4.84 116.55 115.51 2gar n ASP 186 Ca -0.01 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2gar n ASP 186 Cb 0.21 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2gar n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gar n GLY 187 N 1.37 0.88 0.17 0.44 0.00 -0.42 -4.90 105.19 102.73 2gar n GLY 187 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 2gar n GLY 187 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2gar h ARG 188 N 2.73 0.00 -5.24 1.61 3.08 -1.50 -3.46 114.38 111.60 2gar h ARG 188 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2gar h ARG 188 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 29.78 2gar h ARG 188 CO 0.00 0.33 -0.75 -1.17 -1.07 0.00 0.00 179.97 177.31 2gar s LEU 189 N -6.37 2.79 0.09 3.04 2.96 -1.10 -0.27 118.68 119.82 2gar s LEU 189 Ca 0.05 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2gar s LEU 189 Cb 0.07 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 2gar s LEU 189 CO 0.72 0.12 -0.02 -0.54 -1.32 0.00 0.00 176.35 175.32 2gar s LYS 190 N 0.62 0.77 -0.19 1.98 -0.14 -0.13 -4.74 119.74 117.91 2gar s LYS 190 Ca -0.06 -1.32 -0.00 0.00 -1.36 0.00 0.00 55.97 53.23 2gar s LYS 190 Cb -0.15 0.09 0.01 0.00 -1.68 0.00 0.00 37.83 36.10 2gar s LYS 190 CO 0.03 -0.12 -0.16 1.41 -0.76 0.00 0.00 175.35 175.74 2gar s MET 191 N -3.93 3.09 -0.04 1.68 1.75 -1.26 -0.01 119.30 120.58 2gar s MET 191 Ca 0.13 -0.78 -0.05 0.00 -1.25 0.00 0.00 55.69 53.75 2gar s MET 191 Cb 0.07 -2.68 0.01 0.00 2.84 0.00 0.00 34.83 35.07 2gar s MET 191 CO -0.05 -0.20 0.12 -1.01 -0.65 0.00 0.00 175.02 173.23 2gar s HIS 192 N 1.32 -0.09 -1.42 4.11 3.76 -0.57 -4.86 115.29 117.54 2gar s HIS 192 Ca 0.05 0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 55.14 2gar s HIS 192 Cb -0.13 0.02 0.03 0.00 1.11 0.00 0.00 32.58 33.61 2gar s HIS 192 CO -0.10 -0.11 0.68 0.39 -0.85 0.00 0.00 174.74 174.75 2gar n GLU 193 N 2.69 -4.41 -4.19 1.40 1.02 -1.26 -1.14 120.64 114.75 2gar n GLU 193 Ca -0.15 0.53 -0.35 0.00 -0.02 0.00 0.00 57.16 57.17 2gar n GLU 193 Cb 0.58 -5.04 -0.03 0.00 -0.02 0.00 0.00 31.44 26.94 2gar n GLU 193 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2gar n ASN 194 N -2.95 -3.01 -4.08 1.62 4.05 -1.26 -4.94 115.26 104.69 2gar n ASN 194 Ca -0.20 -1.01 -0.08 0.00 0.45 0.00 0.00 54.58 53.74 2gar n ASN 194 Cb 0.63 -2.80 -0.10 0.00 1.23 0.00 0.00 39.78 38.74 2gar n ASN 194 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2gar s ALA 195 N -3.37 0.50 -0.13 5.20 0.00 -0.29 -4.50 121.76 119.16 2gar s ALA 195 Ca 0.66 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 2gar s ALA 195 Cb -0.36 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2gar s ALA 195 CO 0.92 -0.41 0.11 0.00 0.00 0.00 0.00 175.76 176.39 2gar s ALA 196 N -3.94 3.73 -0.12 0.00 0.00 -1.26 -1.51 121.76 118.66 2gar s ALA 196 Ca 0.10 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2gar s ALA 196 Cb 0.08 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.31 2gar s ALA 196 CO -0.08 0.54 -0.12 -1.58 0.00 0.00 0.00 175.76 174.52 2gar s TRP 197 N -0.77 1.86 -0.18 0.00 0.52 0.99 0.24 118.94 121.59 2gar s TRP 197 Ca 0.13 -0.95 -0.03 0.00 0.02 0.00 0.00 56.10 55.28 2gar s TRP 197 Cb -0.12 -1.40 -0.01 0.00 -1.15 0.00 0.00 33.47 30.79 2gar s TRP 197 CO 0.03 -0.55 -0.07 -1.17 0.02 0.00 0.00 176.95 175.21 2gar s LEU 198 N 1.37 2.91 -1.55 2.99 0.20 0.01 -0.96 118.68 123.66 2gar s LEU 198 Ca 0.01 -0.32 -0.13 0.00 0.69 0.00 0.00 54.13 54.38 2gar s LEU 198 Cb -0.13 -1.71 0.09 0.00 -0.43 0.00 0.00 46.19 44.01 2gar s LEU 198 CO -0.07 0.07 0.86 0.47 -0.29 0.00 0.00 176.35 177.39 2gar n ASP 199 N 4.18 -3.68 0.00 3.68 8.00 0.63 -0.84 116.55 128.52 2gar n ASP 199 Ca -0.18 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.46 2gar n ASP 199 Cb 0.52 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 2gar n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gar n GLY 200 N -1.63 0.52 3.51 0.44 0.00 -1.26 -5.00 105.19 101.76 2gar n GLY 200 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2gar n GLY 200 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gar s GLN 201 N -0.45 3.73 -0.07 1.61 -1.52 -0.02 -5.07 119.66 117.87 2gar s GLN 201 Ca 0.00 -0.47 -0.30 0.00 -1.95 0.00 0.00 55.36 52.64 2gar s GLN 201 Cb 0.00 -3.08 -0.04 0.00 -0.22 0.00 0.00 33.01 29.66 2gar s GLN 201 CO 0.00 0.13 1.51 0.50 -0.25 0.00 0.00 175.29 177.18 2gar s ARG 202 N 0.70 4.21 0.48 2.91 3.52 -1.26 -0.81 118.95 128.70 2gar s ARG 202 Ca 0.00 2.02 -0.18 0.00 -0.13 0.00 0.00 55.73 57.44 2gar s ARG 202 Cb -0.14 -3.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.30 2gar s ARG 202 CO 0.02 -0.77 0.98 -0.51 -0.81 0.00 0.00 175.30 174.21 2gar s LEU 203 N 3.62 3.75 0.71 -0.88 1.43 0.14 -4.96 118.68 122.49 2gar s LEU 203 Ca 0.67 1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 2gar s LEU 203 Cb -0.30 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.41 2gar s LEU 203 CO 0.25 -0.53 1.07 -2.16 0.23 0.00 0.00 176.35 175.21 2gar s PRO 204 N -3.69 2.84 0.58 1.29 0.04 -1.26 -4.67 135.00 130.14 2gar s PRO 204 Ca 0.61 0.71 0.34 0.00 0.04 0.00 0.00 61.00 62.70 2gar s PRO 204 Cb -0.10 -2.00 1.35 0.00 0.04 0.00 0.00 34.50 33.79 2gar s PRO 204 CO 0.24 -1.10 1.59 -1.35 0.04 0.00 0.00 177.00 176.42 2gar h PRO 205 N -0.71 0.00 -0.17 0.56 0.11 -1.97 0.71 132.00 130.53 2gar h PRO 205 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2gar h PRO 205 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2gar h PRO 205 CO 0.60 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.43 2gar n GLN 206 N -3.68 1.80 0.00 1.05 1.13 -1.26 -4.28 117.38 112.15 2gar n GLN 206 Ca 0.25 -1.20 0.00 0.00 -1.94 0.00 0.00 57.00 54.11 2gar n GLN 206 Cb 1.40 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 30.33 2gar n GLN 206 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gar n GLY 207 N 1.17 -2.12 3.70 1.08 0.00 0.25 -4.49 105.19 104.77 2gar n GLY 207 Ca 0.17 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2gar n GLY 207 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2gar s TYR 208 N -0.15 2.83 0.00 1.61 5.04 0.54 -4.25 117.35 122.96 2gar s TYR 208 Ca 0.00 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 2gar s TYR 208 Cb 0.00 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.49 2gar s TYR 208 CO 0.00 -3.10 0.38 0.00 -1.34 0.00 0.00 175.55 171.49