#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gar s ASN 2 N 0.00 6.74 -0.15 6.12 0.01 -1.26 -0.31 114.94 126.09 1gar s ASN 2 Ca 0.00 0.89 -0.01 0.00 -0.71 0.00 0.00 52.86 53.03 1gar s ASN 2 Cb 0.00 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 39.31 1gar s ASN 2 CO 0.00 -0.16 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.68 1gar s ILE 3 N 1.30 3.04 -0.14 0.60 1.01 -0.26 -0.47 121.20 126.27 1gar s ILE 3 Ca 0.29 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1gar s ILE 3 Cb -0.16 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 1gar s ILE 3 CO 0.12 0.51 -0.14 -0.69 0.00 0.00 0.00 174.94 174.73 1gar s VAL 4 N 0.61 2.84 -0.08 2.92 1.01 -0.99 -0.73 120.40 125.99 1gar s VAL 4 Ca -0.07 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1gar s VAL 4 Cb -0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1gar s VAL 4 CO 0.03 0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 1gar s VAL 5 N 0.56 3.40 -0.16 2.92 1.01 -1.01 -1.08 120.40 126.03 1gar s VAL 5 Ca -0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1gar s VAL 5 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1gar s VAL 5 CO 0.04 0.57 -0.10 -0.76 0.00 0.00 0.00 175.10 174.85 1gar s LEU 6 N -0.47 2.78 0.32 3.92 1.02 -0.21 -1.43 118.68 124.63 1gar s LEU 6 Ca 0.06 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 53.90 1gar s LEU 6 Cb -0.12 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 1gar s LEU 6 CO 0.02 0.10 0.12 0.27 0.02 0.00 0.00 176.35 176.88 1gar s ILE 7 N 0.73 0.61 0.00 -0.59 -4.36 0.00 -0.79 121.20 116.80 1gar s ILE 7 Ca -0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1gar s ILE 7 Cb -0.15 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1gar s ILE 7 CO 0.02 0.00 0.00 -1.20 0.24 0.00 0.00 174.94 174.00 1gar n SER 8 N -0.88 0.01 0.00 4.36 7.64 -1.16 -3.44 113.62 120.14 1gar n SER 8 Ca -0.01 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1gar n SER 8 Cb 0.65 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1gar n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gar n GLY 9 N 0.01 4.23 0.31 0.23 0.00 -1.26 -4.64 105.19 104.07 1gar n GLY 9 Ca 0.00 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.79 1gar n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1gar h ASN 10 N 0.00 0.21 0.00 1.61 -1.24 -1.93 -2.03 115.58 112.20 1gar h ASN 10 Ca 0.00 0.18 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1gar h ASN 10 Cb 0.00 0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1gar h ASN 10 CO 0.00 -0.08 0.00 0.61 -1.29 0.00 0.00 177.43 176.67 1gar n GLY 11 N -1.35 0.51 0.32 1.57 0.00 -1.26 -2.39 105.19 102.60 1gar n GLY 11 Ca 0.23 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.40 1gar n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gar h SER 12 N 0.00 0.58 -0.41 1.61 4.64 -1.94 -1.72 113.55 116.32 1gar h SER 12 Ca 0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1gar h SER 12 Cb 0.31 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1gar h SER 12 CO 0.00 0.42 -0.29 0.78 -0.87 0.00 0.00 176.83 176.87 1gar h ASN 13 N 0.69 0.98 -0.38 4.97 2.35 -1.92 0.29 115.58 122.56 1gar h ASN 13 Ca 0.20 -0.43 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1gar h ASN 13 Cb -0.04 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 1gar h ASN 13 CO -0.04 1.20 0.21 0.25 -1.65 0.00 0.00 177.43 177.39 1gar h LEU 14 N 0.76 0.32 -0.43 1.61 7.12 -1.74 0.15 115.31 123.09 1gar h LEU 14 Ca 0.08 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 1gar h LEU 14 Cb 0.88 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.93 1gar h LEU 14 CO 0.08 0.23 0.26 -0.61 -0.13 0.00 0.00 178.44 178.27 1gar h GLN 15 N 0.42 0.58 -0.84 1.25 5.75 -0.83 0.44 115.11 121.88 1gar h GLN 15 Ca 0.16 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.68 1gar h GLN 15 Cb 0.04 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.41 1gar h GLN 15 CO -0.09 0.42 0.55 0.00 -2.65 0.00 0.00 178.83 177.06 1gar h ALA 16 N 1.12 1.62 -0.00 3.38 0.00 -0.01 -0.88 119.26 124.48 1gar h ALA 16 Ca 0.15 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1gar h ALA 16 Cb -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1gar h ALA 16 CO -0.03 0.24 -0.99 0.82 0.00 0.00 0.00 179.25 179.29 1gar h ILE 17 N 0.89 1.34 -0.24 0.00 2.04 0.28 -1.66 117.51 120.16 1gar h ILE 17 Ca 0.37 -2.35 0.01 0.00 1.00 0.00 0.00 64.86 63.89 1gar h ILE 17 Cb 0.28 2.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1gar h ILE 17 CO -0.14 0.71 0.13 0.40 0.00 0.00 0.00 178.15 179.25 1gar h ILE 18 N 0.31 1.01 -0.17 -0.67 2.04 -0.49 -1.49 117.51 118.05 1gar h ILE 18 Ca -0.10 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1gar h ILE 18 Cb 1.63 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 1gar h ILE 18 CO 0.18 0.05 -0.25 0.44 0.00 0.00 0.00 178.15 178.57 1gar h ASP 19 N 0.27 -0.78 -0.19 1.72 3.32 -1.11 -1.70 116.42 117.94 1gar h ASP 19 Ca 0.09 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1gar h ASP 19 Cb 0.01 0.35 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1gar h ASP 19 CO -0.06 -0.29 0.06 0.00 -1.72 0.00 0.00 179.24 177.23 1gar h ALA 20 N 0.67 1.62 -0.47 3.45 0.00 -0.89 -2.21 119.26 121.42 1gar h ALA 20 Ca 0.11 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1gar h ALA 20 Cb 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1gar h ALA 20 CO -0.34 0.29 -0.16 0.00 0.00 0.00 0.00 179.25 179.05 1gar h LYS 22 N 0.80 -0.95 -0.09 0.00 1.57 -0.90 -1.76 116.57 115.24 1gar h LYS 22 Ca 0.12 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1gar h LYS 22 Cb 0.70 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1gar h LYS 22 CO 0.05 -0.63 0.00 2.41 -0.57 0.00 0.00 179.45 180.71 1gar n THR 23 N -5.55 0.00 -0.76 -0.16 -1.04 -0.88 -4.79 114.28 101.10 1gar n THR 23 Ca -0.12 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.86 1gar n THR 23 Cb 0.45 -0.29 -0.01 0.00 -1.82 0.00 0.00 70.33 68.65 1gar n THR 23 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1gar n ASN 24 N -0.28 -3.30 0.09 8.00 2.85 -0.66 -4.75 115.26 117.20 1gar n ASN 24 Ca 0.00 0.08 -0.04 0.00 -0.11 0.00 0.00 54.58 54.51 1gar n ASN 24 Cb 0.02 -2.38 0.16 0.00 1.24 0.00 0.00 39.78 38.82 1gar n ASN 24 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1gar h LYS 25 N 0.00 0.23 -4.93 1.20 3.64 -1.49 -3.32 116.57 111.90 1gar h LYS 25 Ca -0.06 -0.14 -0.67 0.00 -1.27 0.00 0.00 60.65 58.51 1gar h LYS 25 Cb 0.61 0.01 -0.28 0.00 -0.41 0.00 0.00 32.23 32.16 1gar h LYS 25 CO 0.09 0.70 -0.71 0.42 -2.27 0.00 0.00 179.45 177.69 1gar s ILE 26 N -3.91 3.36 -1.42 2.00 1.01 -0.72 -4.73 121.20 116.80 1gar s ILE 26 Ca -0.04 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 1gar s ILE 26 Cb 0.13 -2.62 0.06 0.00 0.01 0.00 0.00 42.46 40.04 1gar s ILE 26 CO 0.79 0.30 2.13 0.29 0.00 0.00 0.00 174.94 178.44 1gar n LYS 27 N 4.78 2.99 -3.83 2.79 4.01 -1.25 -4.25 118.16 123.40 1gar n LYS 27 Ca -0.17 -2.80 -0.09 0.00 -0.51 0.00 0.00 58.31 54.74 1gar n LYS 27 Cb 0.49 -3.25 0.01 0.00 -0.51 0.00 0.00 35.03 31.77 1gar n LYS 27 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1gar s GLY 28 N 2.96 0.37 -0.07 0.72 0.00 -1.26 -4.36 107.32 105.68 1gar s GLY 28 Ca 0.47 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.46 1gar s GLY 28 CO -0.06 -0.32 -0.08 -1.59 0.00 0.00 0.00 173.10 171.05 1gar s THR 29 N -2.61 0.86 -0.22 0.90 2.01 0.58 -4.79 115.64 112.37 1gar s THR 29 Ca 0.16 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.59 1gar s THR 29 Cb -0.05 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1gar s THR 29 CO 0.11 0.31 1.18 -0.69 -0.69 0.00 0.00 174.62 174.84 1gar s VAL 30 N 1.12 4.42 -0.19 3.82 1.01 -1.26 -1.11 120.40 128.22 1gar s VAL 30 Ca -0.07 1.69 0.17 0.00 0.00 0.00 0.00 61.98 63.77 1gar s VAL 30 Cb -0.14 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.83 1gar s VAL 30 CO -0.01 -0.23 0.12 0.54 0.00 0.00 0.00 175.10 175.52 1gar n ARG 31 N 6.64 0.68 -3.54 2.72 5.12 0.10 -4.92 116.66 123.46 1gar n ARG 31 Ca 0.13 0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.96 1gar n ARG 31 Cb 0.46 -1.55 -0.04 0.00 -1.16 0.00 0.00 32.46 30.17 1gar n ARG 31 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gar s ALA 32 N -2.50 -1.26 -0.07 7.54 0.00 -1.25 -4.00 121.76 120.22 1gar s ALA 32 Ca -0.10 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1gar s ALA 32 Cb 0.06 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1gar s ALA 32 CO 0.82 -0.67 -0.10 0.08 0.00 0.00 0.00 175.76 175.90 1gar s VAL 33 N -3.54 1.03 0.01 0.00 1.01 -0.47 -2.40 120.40 116.04 1gar s VAL 33 Ca 0.01 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1gar s VAL 33 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1gar s VAL 33 CO -0.11 0.34 -0.02 -0.36 0.00 0.00 0.00 175.10 174.95 1gar s PHE 34 N 0.96 3.00 0.02 5.22 0.40 -0.52 -1.70 117.98 125.37 1gar s PHE 34 Ca -0.09 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1gar s PHE 34 Cb -0.15 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 1gar s PHE 34 CO 0.00 0.44 -0.04 0.45 0.70 0.00 0.00 175.22 176.77 1gar s SER 35 N -1.63 0.34 0.00 1.36 0.15 -0.64 -0.82 113.70 112.47 1gar s SER 35 Ca 0.20 -0.46 0.20 0.00 0.70 0.00 0.00 55.95 56.58 1gar s SER 35 Cb -0.11 0.08 0.40 0.00 -1.71 0.00 0.00 66.02 64.67 1gar s SER 35 CO 0.10 -0.25 1.34 -0.46 1.20 0.00 0.00 173.24 175.17 1gar n ASN 36 N 1.71 3.30 -3.98 5.45 6.94 -1.22 -0.85 115.26 126.61 1gar n ASN 36 Ca -0.23 -1.94 -0.25 0.00 -0.02 0.00 0.00 54.58 52.14 1gar n ASN 36 Cb 0.55 -0.26 -0.17 0.00 -2.36 0.00 0.00 39.78 37.55 1gar n ASN 36 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1gar s LYS 37 N -1.28 1.64 0.47 -3.83 -0.14 -1.26 -4.61 119.74 110.74 1gar s LYS 37 Ca 0.35 -0.36 0.16 0.00 -1.36 0.00 0.00 55.97 54.76 1gar s LYS 37 Cb 0.20 -1.47 1.11 0.00 -1.68 0.00 0.00 37.83 35.98 1gar s LYS 37 CO 0.28 -0.08 2.04 0.00 -0.76 0.00 0.00 175.35 176.83 1gar h ALA 38 N 7.41 1.75 -0.01 5.17 0.00 -1.94 -2.92 119.26 128.71 1gar h ALA 38 Ca -0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gar h ALA 38 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1gar h ALA 38 CO 0.45 0.16 -0.22 -0.40 0.00 0.00 0.00 179.25 179.25 1gar n ASP 39 N -4.34 1.49 -4.67 0.00 5.75 -1.26 -4.99 116.55 108.52 1gar n ASP 39 Ca -0.03 -1.24 -0.58 0.00 -0.01 0.00 0.00 54.79 52.93 1gar n ASP 39 Cb 0.20 0.16 -0.07 0.00 -1.03 0.00 0.00 41.12 40.37 1gar n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gar n ALA 40 N -0.17 -0.85 0.27 2.12 0.00 -1.11 -4.88 120.51 115.90 1gar n ALA 40 Ca 0.13 0.45 0.12 0.00 0.00 0.00 0.00 53.44 54.14 1gar n ALA 40 Cb 0.39 -2.10 0.76 0.00 0.00 0.00 0.00 19.45 18.50 1gar n ALA 40 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1gar h PHE 41 N 5.91 0.00 -0.07 0.00 3.57 -1.79 -1.85 116.94 122.71 1gar h PHE 41 Ca -0.47 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.05 1gar h PHE 41 Cb 1.34 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 1gar h PHE 41 CO 0.70 0.07 0.06 0.78 -2.23 0.00 0.00 178.31 177.69 1gar h GLY 42 N 0.36 0.00 1.01 2.40 0.00 -0.99 0.31 103.07 106.16 1gar h GLY 42 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1gar h GLY 42 CO 0.01 0.00 0.60 1.41 0.00 0.00 0.00 176.54 178.56 1gar h LEU 43 N 0.00 1.06 -0.89 3.11 4.07 -1.60 -0.77 115.31 120.28 1gar h LEU 43 Ca 0.04 -0.03 -0.11 0.00 0.08 0.00 0.00 57.88 57.86 1gar h LEU 43 Cb 0.16 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1gar h LEU 43 CO -0.00 0.77 -0.37 -0.08 -1.08 0.00 0.00 178.44 177.68 1gar h GLU 44 N 1.24 0.36 -0.48 1.13 4.57 -1.10 -0.56 114.58 119.74 1gar h GLU 44 Ca 0.33 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 1gar h GLU 44 Cb -0.14 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1gar h GLU 44 CO -0.07 0.68 -0.11 0.00 -1.18 0.00 0.00 179.01 178.33 1gar h ARG 45 N 0.31 0.89 -0.39 1.92 3.08 -1.01 -2.26 114.38 116.92 1gar h ARG 45 Ca 0.03 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.69 1gar h ARG 45 Cb 0.79 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1gar h ARG 45 CO 0.06 0.96 -0.06 0.00 -1.07 0.00 0.00 179.97 179.86 1gar h ALA 46 N 1.07 0.53 -0.09 0.04 0.00 -0.85 -2.20 119.26 117.76 1gar h ALA 46 Ca 0.13 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1gar h ALA 46 Cb 0.63 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1gar h ALA 46 CO 0.04 0.36 -0.17 -0.09 0.00 0.00 0.00 179.25 179.40 1gar h ARG 47 N 0.54 -0.22 -0.39 0.00 2.43 -0.96 0.57 114.38 116.35 1gar h ARG 47 Ca 0.10 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1gar h ARG 47 Cb 0.56 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1gar h ARG 47 CO 0.03 -0.15 0.03 1.96 -1.51 0.00 0.00 179.97 180.33 1gar h GLN 48 N -0.23 0.60 0.00 0.20 4.20 -1.42 0.47 115.11 118.93 1gar h GLN 48 Ca 0.08 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1gar h GLN 48 Cb 0.35 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1gar h GLN 48 CO -0.22 0.60 0.00 0.00 -0.67 0.00 0.00 178.83 178.54 1gar n ALA 49 N -2.47 2.40 -2.06 3.87 0.00 -0.83 -4.91 120.51 116.51 1gar n ALA 49 Ca 0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1gar n ALA 49 Cb 0.24 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1gar n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gar n GLY 50 N 0.51 0.14 3.77 0.00 0.00 0.15 -5.03 105.19 104.73 1gar n GLY 50 Ca 0.17 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1gar n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gar s ILE 51 N -2.53 5.19 0.45 -0.61 1.01 0.08 -5.01 121.20 119.78 1gar s ILE 51 Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.51 1gar s ILE 51 Cb 0.00 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 1gar s ILE 51 CO 0.00 0.54 1.10 0.00 0.00 0.00 0.00 174.94 176.58 1gar n ALA 52 N 2.73 0.58 -2.74 9.38 0.00 -1.26 -4.34 120.51 124.86 1gar n ALA 52 Ca -0.18 0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1gar n ALA 52 Cb 0.53 -2.15 -0.14 0.00 0.00 0.00 0.00 19.45 17.69 1gar n ALA 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1gar s THR 53 N -1.28 0.54 -0.03 0.00 2.01 -1.26 -1.37 115.64 114.25 1gar s THR 53 Ca 0.64 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 1gar s THR 53 Cb -0.52 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1gar s THR 53 CO 0.56 0.07 0.05 -1.00 -0.69 0.00 0.00 174.62 173.62 1gar s HIS 54 N -0.33 -0.02 -0.22 4.92 3.76 -0.69 -4.95 115.29 117.76 1gar s HIS 54 Ca 0.01 0.19 -0.03 0.00 -0.15 0.00 0.00 55.06 55.09 1gar s HIS 54 Cb -0.04 -0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.50 1gar s HIS 54 CO -0.00 -0.09 -0.07 0.99 -0.85 0.00 0.00 174.74 174.72 1gar s THR 55 N 0.87 3.10 -0.26 1.30 2.01 -1.26 -1.62 115.64 119.78 1gar s THR 55 Ca -0.07 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 1gar s THR 55 Cb -0.10 -2.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.98 1gar s THR 55 CO -0.03 0.40 0.03 -0.76 -0.69 0.00 0.00 174.62 173.57 1gar s LEU 56 N 1.43 3.40 -0.16 4.42 1.43 -0.03 -4.96 118.68 124.20 1gar s LEU 56 Ca 0.05 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.54 1gar s LEU 56 Cb -0.14 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1gar s LEU 56 CO -0.05 -0.10 0.17 -0.63 0.23 0.00 0.00 176.35 175.97 1gar s ILE 57 N 1.50 5.41 0.25 -0.59 -1.09 -1.26 -4.14 121.20 121.28 1gar s ILE 57 Ca 0.04 0.27 -0.05 0.00 -2.23 0.00 0.00 60.65 58.69 1gar s ILE 57 Cb -0.16 -3.48 0.24 0.00 -1.58 0.00 0.00 42.46 37.48 1gar s ILE 57 CO 0.00 0.50 1.87 0.00 -1.23 0.00 0.00 174.94 176.09 1gar h ALA 58 N 5.99 1.25 -0.24 9.38 0.00 -1.95 -1.44 119.26 132.26 1gar h ALA 58 Ca -0.46 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.49 1gar h ALA 58 Cb 1.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1gar h ALA 58 CO 0.69 0.40 0.30 0.66 0.00 0.00 0.00 179.25 181.29 1gar h SER 59 N 1.10 0.00 1.46 0.00 4.64 -1.98 0.84 113.55 119.62 1gar h SER 59 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1gar h SER 59 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1gar h SER 59 CO -0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.79 1gar n ALA 60 N -2.28 2.30 -2.77 5.18 0.00 -0.54 -4.80 120.51 117.60 1gar n ALA 60 Ca 0.03 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1gar n ALA 60 Cb 0.43 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 1gar n ALA 60 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1gar s PHE 61 N -3.10 3.22 0.18 0.00 0.40 0.29 -4.99 117.98 113.97 1gar s PHE 61 Ca 0.11 0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.63 1gar s PHE 61 Cb 0.12 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 42.00 1gar s PHE 61 CO 0.60 0.53 1.40 0.22 0.70 0.00 0.00 175.22 178.67 1gar h ASP 62 N 3.58 0.04 -5.17 1.36 3.58 -1.87 -3.48 116.42 114.46 1gar h ASP 62 Ca -0.47 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 56.88 1gar h ASP 62 Cb 1.17 -0.01 -0.11 0.00 1.72 0.00 0.00 39.33 42.09 1gar h ASP 62 CO 0.65 0.87 -0.15 -0.94 -2.88 0.00 0.00 179.24 176.79 1gar s SER 63 N -6.79 -0.11 0.14 2.28 1.04 -1.26 -5.05 113.70 103.96 1gar s SER 63 Ca -0.00 -0.66 -0.20 0.00 0.48 0.00 0.00 55.95 55.57 1gar s SER 63 Cb 0.11 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.75 1gar s SER 63 CO 0.80 -0.96 1.68 0.03 0.98 0.00 0.00 173.24 175.77 1gar h ARG 64 N 2.38 -0.05 -0.32 4.02 2.47 -1.97 -2.11 114.38 118.79 1gar h ARG 64 Ca -0.30 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.49 1gar h ARG 64 Cb 1.24 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.51 1gar h ARG 64 CO 0.43 -0.04 -0.10 1.49 0.56 0.00 0.00 179.97 182.32 1gar h GLU 65 N -0.05 -0.02 -0.39 0.04 4.57 -1.99 -1.44 114.58 115.29 1gar h GLU 65 Ca 0.13 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.36 1gar h GLU 65 Cb 0.25 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1gar h GLU 65 CO -0.29 -0.01 0.13 0.00 -1.18 0.00 0.00 179.01 177.65 1gar h ALA 66 N 1.28 0.45 0.08 2.92 0.00 -1.92 -1.32 119.26 120.76 1gar h ALA 66 Ca 0.16 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1gar h ALA 66 Cb 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1gar h ALA 66 CO -0.34 -0.26 -0.14 -0.92 0.00 0.00 0.00 179.25 177.58 1gar h TYR 67 N 0.28 -0.37 0.00 0.00 5.03 -0.64 -1.98 116.97 119.29 1gar h TYR 67 Ca 0.18 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.43 1gar h TYR 67 Cb 0.17 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 1gar h TYR 67 CO -0.15 -0.22 -0.30 -0.44 -1.32 0.00 0.00 178.16 175.73 1gar h ASP 68 N -0.28 0.00 -0.69 -2.11 5.19 -1.09 -0.42 116.42 117.02 1gar h ASP 68 Ca 0.02 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 1gar h ASP 68 Cb 0.30 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 1gar h ASP 68 CO -0.08 0.30 0.20 -0.09 -3.12 0.00 0.00 179.24 176.45 1gar h ARG 69 N 0.00 1.09 0.01 3.56 2.43 -0.79 -1.71 114.38 118.97 1gar h ARG 69 Ca -0.00 -0.25 -0.20 0.00 -0.81 0.00 0.00 59.98 58.72 1gar h ARG 69 Cb 0.60 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1gar h ARG 69 CO 0.04 0.95 -0.91 1.49 -1.51 0.00 0.00 179.97 180.03 1gar h GLU 70 N 1.03 0.11 0.06 0.20 4.57 -0.58 -2.02 114.58 117.95 1gar h GLU 70 Ca 0.22 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1gar h GLU 70 Cb 0.33 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1gar h GLU 70 CO -0.00 0.94 -0.03 1.25 -1.18 0.00 0.00 179.01 179.99 1gar h LEU 71 N 0.05 -0.07 0.04 1.64 5.85 -0.74 0.26 115.31 122.35 1gar h LEU 71 Ca -0.03 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1gar h LEU 71 Cb 1.57 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 1gar h LEU 71 CO 0.13 0.17 -0.28 0.40 -0.34 0.00 0.00 178.44 178.52 1gar h ILE 72 N -0.31 0.37 -0.41 4.05 2.04 -1.38 0.10 117.51 121.97 1gar h ILE 72 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 1gar h ILE 72 Cb 0.27 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 36.64 1gar h ILE 72 CO 0.01 0.00 -0.17 -0.74 0.00 0.00 0.00 178.15 177.25 1gar h HIS 73 N -0.45 -0.41 0.00 1.37 2.76 -1.19 0.82 115.15 118.04 1gar h HIS 73 Ca 0.05 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 1gar h HIS 73 Cb 0.52 0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 1gar h HIS 73 CO -0.30 -0.25 -0.43 0.93 -1.30 0.00 0.00 177.93 176.59 1gar h GLU 74 N -0.08 0.00 -0.08 5.26 5.08 -0.40 -3.16 114.58 121.19 1gar h GLU 74 Ca 0.20 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.33 1gar h GLU 74 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1gar h GLU 74 CO -0.47 0.43 -0.87 0.82 -1.00 0.00 0.00 179.01 177.91 1gar h ILE 75 N 0.00 1.30 0.00 3.13 2.04 -0.15 -3.22 117.51 120.61 1gar h ILE 75 Ca -0.00 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.72 1gar h ILE 75 Cb 1.08 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 1gar h ILE 75 CO 0.06 0.66 0.00 0.47 0.00 0.00 0.00 178.15 179.34 1gar n ASP 76 N -3.87 0.15 0.28 1.72 8.00 0.22 -1.04 116.55 122.01 1gar n ASP 76 Ca -0.08 0.53 0.15 0.00 0.71 0.00 0.00 54.79 56.10 1gar n ASP 76 Cb 0.79 -0.56 0.83 0.00 -0.02 0.00 0.00 41.12 42.16 1gar n ASP 76 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1gar h MET 77 N 0.00 0.00 -0.40 -1.24 2.86 -1.56 -2.88 114.93 111.71 1gar h MET 77 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1gar h MET 77 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1gar h MET 77 CO 0.00 0.07 0.00 0.66 1.06 0.00 0.00 176.91 178.70 1gar n TYR 78 N -3.53 1.28 -3.80 -0.22 4.01 -0.20 -5.01 117.16 109.68 1gar n TYR 78 Ca -0.02 -0.77 -0.28 0.00 -0.16 0.00 0.00 57.90 56.67 1gar n TYR 78 Cb 0.19 -0.34 0.01 0.00 -0.31 0.00 0.00 39.34 38.90 1gar n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gar n ALA 79 N 0.08 -2.16 -1.89 -0.72 0.00 -1.09 -4.80 120.51 109.93 1gar n ALA 79 Ca 0.23 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1gar n ALA 79 Cb 0.94 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 1gar n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gar s PRO 80 N -5.90 4.30 0.00 0.00 0.04 -1.26 -4.72 135.00 127.46 1gar s PRO 80 Ca 0.24 2.25 0.06 0.00 0.04 0.00 0.00 61.00 63.59 1gar s PRO 80 Cb -0.13 -3.12 -0.24 0.00 0.04 0.00 0.00 34.50 31.05 1gar s PRO 80 CO 0.66 -0.37 0.84 -0.44 0.04 0.00 0.00 177.00 177.73 1gar h ASP 81 N 4.90 0.12 -4.51 6.66 3.32 -1.08 -3.47 116.42 122.35 1gar h ASP 81 Ca -0.46 -0.20 -0.28 0.00 0.02 0.00 0.00 57.03 56.11 1gar h ASP 81 Cb 1.22 -0.04 -0.23 0.00 0.22 0.00 0.00 39.33 40.49 1gar h ASP 81 CO 0.76 1.17 -0.74 0.54 -1.72 0.00 0.00 179.24 179.25 1gar s VAL 82 N -2.63 0.46 -0.20 -1.35 0.11 -0.59 -4.85 120.40 111.35 1gar s VAL 82 Ca -0.06 -0.80 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 1gar s VAL 82 Cb 0.08 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.44 1gar s VAL 82 CO 0.83 -0.24 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.55 1gar s VAL 83 N -1.00 2.70 -0.21 2.04 1.01 -0.09 -2.34 120.40 122.51 1gar s VAL 83 Ca -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1gar s VAL 83 Cb -0.07 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1gar s VAL 83 CO 0.00 0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 1gar s VAL 84 N 1.38 3.48 -0.26 2.92 1.01 -0.25 -1.88 120.40 126.80 1gar s VAL 84 Ca 0.05 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 1gar s VAL 84 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1gar s VAL 84 CO -0.08 0.43 0.34 -0.76 0.00 0.00 0.00 175.10 175.03 1gar s LEU 85 N 1.28 4.06 -0.52 3.92 1.43 0.05 -1.04 118.68 127.85 1gar s LEU 85 Ca 0.03 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.46 1gar s LEU 85 Cb -0.14 -2.38 0.21 0.00 0.03 0.00 0.00 46.19 43.91 1gar s LEU 85 CO -0.01 -0.13 0.52 0.00 0.23 0.00 0.00 176.35 176.95 1gar n ALA 86 N 5.10 3.14 -0.52 4.21 0.00 0.03 -3.50 120.51 128.97 1gar n ALA 86 Ca -0.10 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.46 1gar n ALA 86 Cb 0.51 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1gar n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gar n GLY 87 N 1.79 0.69 3.60 0.00 0.00 -1.26 -4.38 105.19 105.64 1gar n GLY 87 Ca 0.25 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1gar n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gar s PHE 88 N -2.00 2.54 -0.61 1.61 5.36 -1.24 -2.99 117.98 120.65 1gar s PHE 88 Ca 0.00 0.70 0.02 0.00 -0.96 0.00 0.00 56.93 56.70 1gar s PHE 88 Cb 0.00 -4.31 0.16 0.00 -0.34 0.00 0.00 43.02 38.53 1gar s PHE 88 CO 0.00 -1.76 0.89 -1.33 -1.46 0.00 0.00 175.22 171.56 1gar n MET 89 N 7.95 1.63 -5.08 10.12 2.81 -1.26 -4.87 117.12 128.42 1gar n MET 89 Ca 0.15 -0.64 -0.30 0.00 -1.81 0.00 0.00 57.70 55.11 1gar n MET 89 Cb 0.48 -1.53 -0.15 0.00 -0.71 0.00 0.00 33.22 31.31 1gar n MET 89 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1gar s ARG 90 N -1.14 1.90 -0.03 0.03 3.52 -1.26 -5.10 118.95 116.88 1gar s ARG 90 Ca 0.11 -0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 54.42 1gar s ARG 90 Cb 0.09 -1.95 -0.04 0.00 -1.56 0.00 0.00 34.95 31.49 1gar s ARG 90 CO 0.03 0.52 1.24 0.42 -0.81 0.00 0.00 175.30 176.70 1gar s ILE 91 N -0.69 4.12 0.02 4.11 -1.09 -1.26 -5.02 121.20 121.38 1gar s ILE 91 Ca 0.10 1.47 -0.25 0.00 -2.23 0.00 0.00 60.65 59.75 1gar s ILE 91 Cb -0.10 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 1gar s ILE 91 CO 0.00 0.02 0.76 -0.76 -1.23 0.00 0.00 174.94 173.73 1gar s LEU 92 N 2.05 4.42 0.79 2.97 1.43 -1.26 -5.04 118.68 124.03 1gar s LEU 92 Ca 0.58 1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 54.95 1gar s LEU 92 Cb -0.27 -3.21 0.08 0.00 0.03 0.00 0.00 46.19 42.82 1gar s LEU 92 CO 0.24 -0.02 1.18 -0.94 0.23 0.00 0.00 176.35 177.04 1gar s SER 93 N 0.17 3.80 0.34 2.29 1.04 -1.26 -4.76 113.70 115.32 1gar s SER 93 Ca 0.39 2.26 0.12 0.00 0.48 0.00 0.00 55.95 59.20 1gar s SER 93 Cb -0.20 -2.58 0.95 0.00 0.10 0.00 0.00 66.02 64.30 1gar s SER 93 CO 0.22 -2.52 1.74 -0.65 0.98 0.00 0.00 173.24 173.01 1gar h PRO 94 N -0.88 0.51 -0.51 4.02 0.11 -1.98 -0.99 132.00 132.28 1gar h PRO 94 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gar h PRO 94 Cb 1.28 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1gar h PRO 94 CO 0.47 0.34 0.32 0.00 -0.21 0.00 0.00 178.00 178.92 1gar h ALA 95 N 1.70 0.65 -0.10 -0.75 0.00 -1.99 0.14 119.26 118.91 1gar h ALA 95 Ca 0.64 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.46 1gar h ALA 95 Cb 1.32 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1gar h ALA 95 CO -0.43 0.13 -0.05 0.35 0.00 0.00 0.00 179.25 179.25 1gar h PHE 96 N 0.69 0.25 -0.34 0.00 3.04 -1.55 -1.53 116.94 117.49 1gar h PHE 96 Ca 0.19 -0.06 0.04 0.00 3.98 0.00 0.00 57.97 62.11 1gar h PHE 96 Cb -0.03 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.38 1gar h PHE 96 CO -0.03 0.57 0.13 0.28 -2.02 0.00 0.00 178.31 177.23 1gar h VAL 97 N -0.14 0.91 -0.87 1.41 2.07 -1.27 -0.76 116.25 117.61 1gar h VAL 97 Ca 0.02 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1gar h VAL 97 Cb 0.50 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1gar h VAL 97 CO 0.01 0.05 0.57 -1.28 0.02 0.00 0.00 177.57 176.94 1gar h SER 98 N 0.28 0.91 0.23 0.57 0.87 -0.64 -1.85 113.55 113.91 1gar h SER 98 Ca 0.15 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 1gar h SER 98 Cb 0.12 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1gar h SER 98 CO -0.15 0.61 -0.44 -0.74 -0.53 0.00 0.00 176.83 175.58 1gar h HIS 99 N 1.05 0.31 -0.50 2.24 6.17 -0.11 -2.91 115.15 121.41 1gar h HIS 99 Ca 0.35 -0.09 -0.29 0.00 0.71 0.00 0.00 60.37 61.05 1gar h HIS 99 Cb 0.08 -0.07 -0.18 0.00 2.52 0.00 0.00 27.41 29.77 1gar h HIS 99 CO -0.00 0.66 -0.06 0.66 0.71 0.00 0.00 177.93 179.90 1gar n TYR 100 N -4.00 1.60 -1.68 5.26 4.01 -0.56 -5.06 117.16 116.74 1gar n TYR 100 Ca -0.02 -1.84 -0.52 0.00 -0.16 0.00 0.00 57.90 55.36 1gar n TYR 100 Cb 0.50 -0.59 -0.06 0.00 -0.31 0.00 0.00 39.34 38.89 1gar n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gar n ALA 101 N -1.06 0.47 -0.93 -0.72 0.00 -0.76 -1.08 120.51 116.43 1gar n ALA 101 Ca 0.39 0.30 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1gar n ALA 101 Cb 1.03 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1gar n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gar n GLY 102 N 4.49 0.71 0.00 0.00 0.00 -1.26 -4.81 105.19 104.31 1gar n GLY 102 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1gar n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gar n ARG 103 N -2.55 0.34 -4.31 1.61 1.74 -0.24 -4.58 116.66 108.67 1gar n ARG 103 Ca 0.00 -0.51 -0.34 0.00 -0.77 0.00 0.00 57.85 56.23 1gar n ARG 103 Cb 0.00 -0.67 -0.14 0.00 -1.02 0.00 0.00 32.46 30.63 1gar n ARG 103 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1gar s LEU 104 N -0.17 2.84 0.13 0.55 2.96 -0.92 -0.91 118.68 123.15 1gar s LEU 104 Ca 0.00 -0.34 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1gar s LEU 104 Cb 0.00 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1gar s LEU 104 CO 0.00 0.08 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.09 1gar s LEU 105 N 0.89 2.32 0.05 -0.68 1.43 -0.79 -1.43 118.68 120.48 1gar s LEU 105 Ca -0.02 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1gar s LEU 105 Cb -0.15 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1gar s LEU 105 CO 0.00 0.15 -0.02 0.21 0.23 0.00 0.00 176.35 176.93 1gar s ASN 106 N -2.07 0.43 -0.08 2.29 2.47 -0.39 -0.77 114.94 116.81 1gar s ASN 106 Ca 0.13 -0.89 0.03 0.00 0.42 0.00 0.00 52.86 52.55 1gar s ASN 106 Cb -0.10 0.19 0.01 0.00 -1.45 0.00 0.00 41.25 39.90 1gar s ASN 106 CO 0.06 -0.56 -0.17 -0.51 -3.72 0.00 0.00 177.10 172.20 1gar s ILE 107 N -3.49 1.52 0.02 -5.21 2.07 -1.23 -1.98 121.20 112.90 1gar s ILE 107 Ca 0.03 -0.71 0.04 0.00 -1.41 0.00 0.00 60.65 58.60 1gar s ILE 107 Cb 0.05 -1.35 -0.02 0.00 0.13 0.00 0.00 42.46 41.27 1gar s ILE 107 CO -0.08 0.44 -0.12 -1.38 -1.91 0.00 0.00 174.94 171.88 1gar s HIS 108 N 0.50 1.08 -1.34 3.50 -3.43 0.05 -4.76 115.29 110.89 1gar s HIS 108 Ca -0.16 -0.29 -0.07 0.00 -0.80 0.00 0.00 55.06 53.74 1gar s HIS 108 Cb -0.16 -0.67 0.12 0.00 -1.43 0.00 0.00 32.58 30.44 1gar s HIS 108 CO 0.06 0.00 2.25 -0.35 -2.00 0.00 0.00 174.74 174.70 1gar n PRO 109 N 2.27 4.13 -3.64 -0.38 -0.04 -1.26 -1.38 135.00 134.70 1gar n PRO 109 Ca -0.16 -3.36 -0.03 0.00 -0.04 0.00 0.00 63.50 59.91 1gar n PRO 109 Cb 0.55 -2.77 -0.07 0.00 -0.04 0.00 0.00 33.50 31.18 1gar n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1gar s SER 110 N 0.76 -0.52 0.73 3.54 1.04 0.26 -4.52 113.70 114.98 1gar s SER 110 Ca 0.50 0.84 -0.12 0.00 0.48 0.00 0.00 55.95 57.65 1gar s SER 110 Cb 0.15 1.21 0.03 0.00 0.10 0.00 0.00 66.02 67.51 1gar s SER 110 CO -0.06 -0.13 1.09 -0.76 0.98 0.00 0.00 173.24 174.36 1gar s LEU 111 N 1.33 3.16 -0.37 2.42 2.01 -1.26 -4.00 118.68 121.97 1gar s LEU 111 Ca -0.09 1.85 0.06 0.00 0.01 0.00 0.00 54.13 55.96 1gar s LEU 111 Cb -0.04 -4.53 0.27 0.00 0.01 0.00 0.00 46.19 41.91 1gar s LEU 111 CO -0.15 -1.83 1.24 0.00 1.01 0.00 0.00 176.35 176.62 1gar n LEU 112 N -3.13 -1.67 0.00 1.79 -0.00 -1.26 -5.00 117.00 107.73 1gar n LEU 112 Ca 0.09 -2.83 0.00 0.00 -0.00 0.00 0.00 56.01 53.27 1gar n LEU 112 Cb 0.53 0.49 0.00 0.00 -0.00 0.00 0.00 43.42 44.43 1gar n LEU 112 CO 0.52 1.66 0.00 -0.81 -0.00 0.00 0.00 177.39 178.76 1gar n PRO 113 N -0.35 0.00 -0.20 1.47 -0.04 -1.26 -4.86 135.00 129.76 1gar n PRO 113 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1gar n PRO 113 Cb 0.76 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.22 1gar n PRO 113 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1gar n ASP 129 N 0.00 0.00 -0.80 3.54 5.75 -1.26 -5.69 116.55 118.08 1gar n ASP 129 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.83 1gar n ASP 129 Cb 0.00 -0.77 0.17 0.00 -1.03 0.00 0.00 41.12 39.49 1gar n ASP 129 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1gar n GLU 130 N -0.97 1.26 -1.32 0.11 -0.00 -1.26 -4.78 120.64 113.69 1gar n GLU 130 Ca 0.00 -3.04 -0.08 0.00 -0.00 0.00 0.00 57.16 54.04 1gar n GLU 130 Cb 0.38 -1.28 -0.07 0.00 -0.00 0.00 0.00 31.44 30.47 1gar n GLU 130 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1gar n GLU 131 N -0.77 0.05 -3.76 3.44 0.00 -1.26 -4.42 120.64 113.92 1gar n GLU 131 Ca 0.16 -0.92 -0.13 0.00 0.00 0.00 0.00 57.16 56.27 1gar n GLU 131 Cb 0.79 -2.61 -0.09 0.00 0.00 0.00 0.00 31.44 29.53 1gar n GLU 131 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1gar s HIS 132 N 9.55 -0.22 -1.89 -1.84 3.76 -1.26 -5.01 115.29 118.38 1gar s HIS 132 Ca 0.46 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.78 1gar s HIS 132 Cb -0.04 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.75 1gar s HIS 132 CO 0.11 -0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.07 1gar n GLY 133 N 1.68 -1.17 3.25 -2.22 0.00 -1.26 -0.51 105.19 104.96 1gar n GLY 133 Ca -0.20 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1gar n GLY 133 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gar s THR 134 N -3.00 0.04 -0.07 2.61 -1.32 0.06 -0.58 115.64 113.38 1gar s THR 134 Ca 0.00 -0.34 -0.11 0.00 -1.21 0.00 0.00 61.69 60.03 1gar s THR 134 Cb 0.00 -0.60 0.02 0.00 -1.51 0.00 0.00 72.50 70.41 1gar s THR 134 CO 0.00 -0.19 0.28 -0.94 -2.21 0.00 0.00 174.62 171.57 1gar s SER 135 N -0.94 -0.24 -0.15 8.08 1.04 -0.48 -1.50 113.70 119.52 1gar s SER 135 Ca -0.10 0.35 -0.07 0.00 0.48 0.00 0.00 55.95 56.60 1gar s SER 135 Cb -0.04 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1gar s SER 135 CO 0.03 -0.24 0.10 -0.69 0.98 0.00 0.00 173.24 173.43 1gar s VAL 136 N -0.49 5.19 0.06 5.02 1.01 -0.89 -0.77 120.40 129.53 1gar s VAL 136 Ca -0.06 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1gar s VAL 136 Cb -0.04 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1gar s VAL 136 CO 0.02 0.54 0.27 -1.38 0.00 0.00 0.00 175.10 174.55 1gar s HIS 137 N -0.40 -0.03 0.26 5.22 -0.00 -0.84 -1.30 115.29 118.20 1gar s HIS 137 Ca 0.11 -0.20 -0.29 0.00 -0.00 0.00 0.00 55.06 54.68 1gar s HIS 137 Cb -0.12 0.06 -0.09 0.00 -0.00 0.00 0.00 32.58 32.43 1gar s HIS 137 CO 0.02 -0.52 1.20 -0.06 -0.00 0.00 0.00 174.74 175.37 1gar s PHE 138 N -2.96 3.37 -0.25 0.38 0.08 -0.65 -1.26 117.98 116.69 1gar s PHE 138 Ca -0.02 1.51 -0.20 0.00 0.12 0.00 0.00 56.93 58.34 1gar s PHE 138 Cb 0.01 -3.46 -0.02 0.00 -0.57 0.00 0.00 43.02 38.98 1gar s PHE 138 CO -0.06 -1.19 0.62 0.08 -0.10 0.00 0.00 175.22 174.56 1gar s VAL 139 N -0.75 5.00 0.22 -0.44 1.01 -0.51 -3.71 120.40 121.21 1gar s VAL 139 Ca 0.49 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.67 1gar s VAL 139 Cb -0.35 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1gar s VAL 139 CO 0.43 0.04 -0.16 -0.89 0.00 0.00 0.00 175.10 174.52 1gar s THR 140 N 2.44 1.92 -2.00 3.92 2.01 -1.26 -4.68 115.64 117.98 1gar s THR 140 Ca 0.26 -2.22 0.04 0.00 0.31 0.00 0.00 61.69 60.07 1gar s THR 140 Cb -0.16 -2.08 0.11 0.00 0.01 0.00 0.00 72.50 70.39 1gar s THR 140 CO 0.09 -0.52 0.60 0.47 -0.69 0.00 0.00 174.62 174.57 1gar n ASP 141 N -0.35 0.00 -4.40 3.53 8.00 -1.26 -4.24 116.55 117.83 1gar n ASP 141 Ca -0.08 -0.29 -0.44 0.00 0.71 0.00 0.00 54.79 54.68 1gar n ASP 141 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.66 1gar n ASP 141 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1gar s GLU 142 N -2.00 3.13 0.05 -1.24 8.01 -1.26 -4.98 118.70 120.41 1gar s GLU 142 Ca 0.06 -1.31 -0.37 0.00 0.01 0.00 0.00 54.97 53.36 1gar s GLU 142 Cb 0.03 -4.32 -0.17 0.00 -4.31 0.00 0.00 34.13 25.35 1gar s GLU 142 CO 0.05 -1.61 1.33 -0.11 0.01 0.00 0.00 175.26 174.93 1gar n LEU 143 N 6.55 1.49 0.00 1.80 0.00 -1.26 0.06 117.00 125.64 1gar n LEU 143 Ca -0.04 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.09 1gar n LEU 143 Cb 0.44 -1.16 0.00 0.00 0.00 0.00 0.00 43.42 42.70 1gar n LEU 143 CO 0.58 -1.11 0.00 0.47 0.00 0.00 0.00 177.39 177.33 1gar n ASP 144 N 2.56 0.00 -3.40 1.96 9.92 -1.26 -4.90 116.55 121.42 1gar n ASP 144 Ca 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 1gar n ASP 144 Cb 0.17 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 1gar n ASP 144 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gar n GLY 145 N -0.91 -1.07 0.57 0.44 0.00 0.11 -5.00 105.19 99.33 1gar n GLY 145 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1gar n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gar n GLY 146 N 2.52 -3.49 3.75 -0.02 0.00 -1.24 -4.49 105.19 102.23 1gar n GLY 146 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1gar n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gar n PRO 147 N -1.23 2.73 -2.52 1.61 -0.04 -1.24 -4.60 135.00 129.72 1gar n PRO 147 Ca 0.00 0.97 -0.39 0.00 -0.04 0.00 0.00 63.50 64.04 1gar n PRO 147 Cb 0.05 -2.76 -0.04 0.00 -0.04 0.00 0.00 33.50 30.70 1gar n PRO 147 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1gar s VAL 148 N -0.02 3.60 -0.15 0.52 1.01 -1.26 -1.64 120.40 122.47 1gar s VAL 148 Ca 0.64 1.48 -0.00 0.00 0.00 0.00 0.00 61.98 64.10 1gar s VAL 148 Cb -0.49 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1gar s VAL 148 CO 0.49 0.25 -0.14 -0.38 0.00 0.00 0.00 175.10 175.32 1gar n ILE 149 N 0.79 0.84 -3.64 2.22 5.41 -0.42 -4.04 119.36 120.52 1gar n ILE 149 Ca 0.01 -0.31 -0.08 0.00 1.00 0.00 0.00 62.75 63.37 1gar n ILE 149 Cb 0.47 -1.11 -0.07 0.00 -0.71 0.00 0.00 39.64 38.22 1gar n ILE 149 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1gar s LEU 150 N -5.98 -0.71 0.34 1.39 2.96 -1.21 -1.21 118.68 114.26 1gar s LEU 150 Ca -0.20 1.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.98 1gar s LEU 150 Cb 0.06 2.15 -0.07 0.00 0.50 0.00 0.00 46.19 48.82 1gar s LEU 150 CO 0.33 -0.20 -0.02 -1.10 -1.32 0.00 0.00 176.35 174.05 1gar s GLN 151 N 1.07 1.75 -0.20 1.98 -0.21 -1.25 -2.11 119.66 120.68 1gar s GLN 151 Ca -0.05 -1.94 -0.08 0.00 0.02 0.00 0.00 55.36 53.31 1gar s GLN 151 Cb -0.05 -1.34 0.09 0.00 1.00 0.00 0.00 33.01 32.72 1gar s GLN 151 CO -0.12 -0.02 0.44 0.00 -2.12 0.00 0.00 175.29 173.47 1gar s ALA 152 N -2.91 -1.23 0.21 6.09 0.00 -0.56 -4.98 121.76 118.37 1gar s ALA 152 Ca 0.33 1.59 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 1gar s ALA 152 Cb 0.07 -1.32 -0.08 0.00 0.00 0.00 0.00 23.12 21.78 1gar s ALA 152 CO 0.15 -0.71 0.92 0.15 0.00 0.00 0.00 175.76 176.27 1gar s LYS 153 N 2.49 4.79 -0.24 0.00 1.02 -1.26 -0.76 119.74 125.78 1gar s LYS 153 Ca -0.03 1.43 0.01 0.00 0.02 0.00 0.00 55.97 57.39 1gar s LYS 153 Cb -0.11 -3.29 0.06 0.00 -0.52 0.00 0.00 37.83 33.96 1gar s LYS 153 CO -0.13 0.48 -0.05 0.08 -0.92 0.00 0.00 175.35 174.81 1gar s VAL 154 N -0.99 1.51 0.39 3.17 1.01 0.33 -4.91 120.40 120.91 1gar s VAL 154 Ca 0.41 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 1gar s VAL 154 Cb -0.25 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1gar s VAL 154 CO 0.31 -0.12 1.29 -2.16 0.00 0.00 0.00 175.10 174.42 1gar s PRO 155 N 1.40 4.05 -0.04 2.72 0.04 -1.26 -4.07 135.00 137.85 1gar s PRO 155 Ca -0.05 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.18 1gar s PRO 155 Cb -0.19 -2.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1gar s PRO 155 CO -0.06 -0.41 -0.20 0.14 0.04 0.00 0.00 177.00 176.50 1gar s VAL 156 N -1.25 1.61 0.46 -0.36 -7.23 -1.26 -5.08 120.40 107.28 1gar s VAL 156 Ca 0.55 -0.84 0.06 0.00 -1.81 0.00 0.00 61.98 59.95 1gar s VAL 156 Cb -0.38 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 1gar s VAL 156 CO 0.49 0.46 0.22 -0.36 -0.31 0.00 0.00 175.10 175.60 1gar s PHE 157 N -0.19 2.28 0.24 2.82 0.08 -1.26 -4.46 117.98 117.50 1gar s PHE 157 Ca 0.01 -0.69 -0.30 0.00 0.12 0.00 0.00 56.93 56.07 1gar s PHE 157 Cb -0.11 -1.92 -0.09 0.00 -0.57 0.00 0.00 43.02 40.34 1gar s PHE 157 CO 0.01 0.01 1.16 0.00 -0.10 0.00 0.00 175.22 176.30 1gar s ALA 158 N -2.67 3.42 0.00 5.36 0.00 -1.26 -3.67 121.76 122.94 1gar s ALA 158 Ca 0.35 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1gar s ALA 158 Cb 0.02 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1gar s ALA 158 CO 0.20 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1gar n GLY 159 N 1.59 3.02 3.72 0.00 0.00 -1.26 -5.04 105.19 107.22 1gar n GLY 159 Ca 0.01 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1gar n GLY 159 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gar s ASP 160 N 0.00 7.33 0.90 1.61 1.47 -1.24 -4.97 116.67 121.77 1gar s ASP 160 Ca 0.00 1.84 -0.12 0.00 1.18 0.00 0.00 52.55 55.45 1gar s ASP 160 Cb 0.00 -2.58 0.13 0.00 -0.34 0.00 0.00 42.92 40.13 1gar s ASP 160 CO 0.00 -0.24 1.10 -0.94 0.68 0.00 0.00 175.17 175.78 1gar s SER 161 N 0.53 3.50 0.24 2.11 1.04 -1.26 -4.82 113.70 115.05 1gar s SER 161 Ca 0.51 1.25 -0.05 0.00 0.48 0.00 0.00 55.95 58.14 1gar s SER 161 Cb -0.25 -1.91 0.35 0.00 0.10 0.00 0.00 66.02 64.31 1gar s SER 161 CO 0.30 -2.59 1.84 -0.08 0.98 0.00 0.00 173.24 173.69 1gar h GLU 162 N -1.52 0.91 -0.64 4.02 4.57 -1.99 0.89 114.58 120.82 1gar h GLU 162 Ca -0.50 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 1gar h GLU 162 Cb 1.30 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 1gar h GLU 162 CO 0.58 0.60 0.34 -0.44 -1.18 0.00 0.00 179.01 178.92 1gar h ASP 163 N 0.94 0.79 1.11 1.04 5.19 -1.99 -0.49 116.42 123.00 1gar h ASP 163 Ca 0.38 -0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.68 1gar h ASP 163 Cb 0.22 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1gar h ASP 163 CO -0.19 0.64 -0.23 0.44 -3.12 0.00 0.00 179.24 176.78 1gar h ASP 164 N 0.89 0.00 0.36 6.45 3.32 -1.26 0.00 116.42 126.18 1gar h ASP 164 Ca 0.23 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1gar h ASP 164 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1gar h ASP 164 CO -0.04 0.23 -0.17 0.40 -1.72 0.00 0.00 179.24 177.94 1gar h ILE 165 N 0.00 0.57 -0.71 0.35 1.08 -0.07 -2.06 117.51 116.68 1gar h ILE 165 Ca -0.00 -0.61 0.14 0.00 -0.39 0.00 0.00 64.86 64.00 1gar h ILE 165 Cb 0.84 0.83 -0.10 0.00 -3.07 0.00 0.00 36.82 35.33 1gar h ILE 165 CO 0.03 0.10 0.20 0.74 -0.69 0.00 0.00 178.15 178.53 1gar h THR 166 N -0.86 0.59 -0.57 -0.27 2.02 -0.76 0.35 112.91 113.42 1gar h THR 166 Ca -0.05 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 1gar h THR 166 Cb 0.53 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1gar h THR 166 CO 0.08 0.06 0.14 0.00 0.37 0.00 0.00 175.52 176.17 1gar h ALA 167 N 1.56 1.19 -0.22 6.16 0.00 -0.97 0.13 119.26 127.11 1gar h ALA 167 Ca 0.39 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1gar h ALA 167 Cb 0.62 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1gar h ALA 167 CO -0.45 0.56 -0.57 0.00 0.00 0.00 0.00 179.25 178.79 1gar h ARG 168 N 0.84 0.77 -0.84 0.00 3.08 0.36 -2.26 114.38 116.33 1gar h ARG 168 Ca 0.18 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1gar h ARG 168 Cb 0.29 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1gar h ARG 168 CO -0.00 1.16 0.53 0.28 -1.07 0.00 0.00 179.97 180.87 1gar h VAL 169 N 0.50 1.22 -0.64 2.04 2.07 -0.70 -2.69 116.25 118.06 1gar h VAL 169 Ca -0.01 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1gar h VAL 169 Cb 1.18 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1gar h VAL 169 CO 0.12 0.22 0.25 1.56 0.02 0.00 0.00 177.57 179.75 1gar h GLN 170 N 1.14 0.94 -0.61 1.57 4.20 -0.57 0.03 115.11 121.80 1gar h GLN 170 Ca 0.30 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1gar h GLN 170 Cb -0.09 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.50 1gar h GLN 170 CO -0.06 0.77 0.25 1.15 -0.67 0.00 0.00 178.83 180.26 1gar h THR 171 N 0.92 1.22 -0.21 -0.54 2.02 -1.14 -1.77 112.91 113.40 1gar h THR 171 Ca 0.22 -0.67 -0.15 0.00 0.77 0.00 0.00 66.41 66.58 1gar h THR 171 Cb 0.18 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1gar h THR 171 CO -0.02 0.27 -0.44 1.56 0.37 0.00 0.00 175.52 177.26 1gar h GLN 172 N 0.88 0.68 -0.82 6.66 1.08 -1.08 -3.10 115.11 119.40 1gar h GLN 172 Ca 0.21 -0.44 0.10 0.00 -1.45 0.00 0.00 58.65 57.07 1gar h GLN 172 Cb 0.17 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.58 1gar h GLN 172 CO -0.02 1.06 0.46 0.93 -0.95 0.00 0.00 178.83 180.31 1gar h GLU 173 N 0.38 0.73 0.00 1.46 5.08 -0.64 0.14 114.58 121.72 1gar h GLU 173 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1gar h GLU 173 Cb 1.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1gar h GLU 173 CO 0.10 0.48 0.00 0.72 -1.00 0.00 0.00 179.01 179.31 1gar n HIS 174 N -4.77 0.28 -0.12 4.33 8.25 -0.70 -1.73 115.22 120.75 1gar n HIS 174 Ca 0.14 0.10 -0.25 0.00 -0.26 0.00 0.00 57.72 57.45 1gar n HIS 174 Cb 0.30 -0.67 -0.10 0.00 1.12 0.00 0.00 29.99 30.64 1gar n HIS 174 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gar n ALA 175 N -1.59 1.00 0.09 -1.41 0.00 0.29 -4.40 120.51 114.49 1gar n ALA 175 Ca 0.04 -0.82 -0.15 0.00 0.00 0.00 0.00 53.44 52.50 1gar n ALA 175 Cb 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.42 1gar n ALA 175 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1gar h ILE 176 N -1.00 1.44 -0.14 0.00 3.07 -0.87 -3.14 117.51 116.87 1gar h ILE 176 Ca -0.52 -2.73 -0.12 0.00 1.55 0.00 0.00 64.86 63.04 1gar h ILE 176 Cb 1.44 2.68 0.00 0.00 -0.27 0.00 0.00 36.82 40.67 1gar h ILE 176 CO -0.31 0.81 -0.38 0.22 -1.05 0.00 0.00 178.15 177.43 1gar h TYR 177 N 0.16 0.66 -0.32 0.16 5.03 -1.57 -0.22 116.97 120.86 1gar h TYR 177 Ca -0.11 -0.26 0.09 0.00 2.58 0.00 0.00 58.73 61.04 1gar h TYR 177 Cb 1.77 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.93 1gar h TYR 177 CO 0.06 1.00 0.25 -1.35 -1.32 0.00 0.00 178.16 176.81 1gar h PRO 178 N 0.13 0.00 -0.01 1.82 0.11 -1.77 -1.73 132.00 130.55 1gar h PRO 178 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1gar h PRO 178 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1gar h PRO 178 CO 0.08 0.00 -0.03 1.25 -0.21 0.00 0.00 178.00 179.09 1gar h LEU 179 N 0.00 0.04 -0.52 2.35 5.85 -1.27 0.61 115.31 122.37 1gar h LEU 179 Ca 0.15 -0.63 0.03 0.00 0.84 0.00 0.00 57.88 58.27 1gar h LEU 179 Cb 0.66 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1gar h LEU 179 CO -0.00 0.66 0.31 0.58 -0.34 0.00 0.00 178.44 179.65 1gar h VAL 180 N -0.57 1.04 -0.91 1.05 2.07 -0.91 -1.70 116.25 116.32 1gar h VAL 180 Ca -0.00 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1gar h VAL 180 Cb 0.66 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1gar h VAL 180 CO 0.01 0.11 0.54 0.40 0.02 0.00 0.00 177.57 178.65 1gar h ILE 181 N 0.60 1.25 -0.47 4.57 2.04 -1.32 -0.55 117.51 123.64 1gar h ILE 181 Ca 0.21 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.59 1gar h ILE 181 Cb 0.04 -0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.04 1gar h ILE 181 CO -0.10 0.27 0.11 -1.28 0.00 0.00 0.00 178.15 177.14 1gar h SER 182 N 1.25 0.03 -0.64 1.72 0.87 -0.23 0.77 113.55 117.32 1gar h SER 182 Ca 0.33 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.87 1gar h SER 182 Cb -0.05 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1gar h SER 182 CO -0.06 0.05 0.05 -0.50 -0.53 0.00 0.00 176.83 175.84 1gar h TRP 183 N 0.25 1.17 -0.67 2.24 6.55 -0.67 -2.07 115.95 122.75 1gar h TRP 183 Ca 0.23 -0.18 -0.08 0.00 0.95 0.00 0.00 58.89 59.81 1gar h TRP 183 Cb 0.29 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 28.25 1gar h TRP 183 CO -0.21 1.01 0.12 0.35 -1.05 0.00 0.00 178.44 178.66 1gar h PHE 184 N 1.00 1.17 -0.81 0.49 3.04 -0.75 -1.89 116.94 119.19 1gar h PHE 184 Ca 0.19 -0.16 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1gar h PHE 184 Cb 0.50 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 1gar h PHE 184 CO 0.04 0.98 0.40 0.00 -2.02 0.00 0.00 178.31 177.71 1gar h ALA 185 N 1.05 1.18 -0.04 2.41 0.00 -0.50 -2.38 119.26 120.98 1gar h ALA 185 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gar h ALA 185 Cb 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gar h ALA 185 CO 0.01 0.63 0.00 -0.25 0.00 0.00 0.00 179.25 179.64 1gar n ASP 186 N -4.32 0.92 -1.42 0.00 8.00 -0.81 -4.86 116.55 114.07 1gar n ASP 186 Ca 0.08 -2.04 -0.19 0.00 0.71 0.00 0.00 54.79 53.36 1gar n ASP 186 Cb 0.13 -0.33 -0.08 0.00 -0.02 0.00 0.00 41.12 40.82 1gar n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gar n GLY 187 N 0.24 1.80 0.07 0.44 0.00 -0.90 -4.84 105.19 102.00 1gar n GLY 187 Ca 0.02 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1gar n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gar n ARG 188 N -2.41 0.54 -4.82 1.61 1.74 -0.74 -4.89 116.66 107.70 1gar n ARG 188 Ca -0.19 0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.58 1gar n ARG 188 Cb 0.61 -1.70 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 1gar n ARG 188 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1gar s LEU 189 N -4.82 2.50 0.05 0.55 2.96 -1.18 -0.48 118.68 118.25 1gar s LEU 189 Ca -0.01 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1gar s LEU 189 Cb 0.12 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1gar s LEU 189 CO 0.82 0.14 0.00 -0.54 -1.32 0.00 0.00 176.35 175.45 1gar s LYS 190 N 0.47 0.57 -0.11 1.98 1.02 -0.36 -4.74 119.74 118.57 1gar s LYS 190 Ca -0.11 -1.03 0.01 0.00 0.02 0.00 0.00 55.97 54.85 1gar s LYS 190 Cb -0.16 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.33 1gar s LYS 190 CO 0.05 -0.11 -0.13 1.41 -0.92 0.00 0.00 175.35 175.65 1gar s MET 191 N -3.30 3.16 -0.06 1.68 -2.45 -1.26 -0.35 119.30 116.71 1gar s MET 191 Ca 0.01 -0.67 -0.06 0.00 -1.25 0.00 0.00 55.69 53.72 1gar s MET 191 Cb 0.03 -2.58 0.02 0.00 1.25 0.00 0.00 34.83 33.55 1gar s MET 191 CO -0.08 0.33 0.17 -1.01 1.05 0.00 0.00 175.02 175.49 1gar s HIS 192 N 0.04 -0.18 -1.40 4.11 0.09 0.48 -4.94 115.29 113.49 1gar s HIS 192 Ca -0.04 0.44 -0.14 0.00 -0.00 0.00 0.00 55.06 55.32 1gar s HIS 192 Cb -0.14 0.06 0.02 0.00 -0.00 0.00 0.00 32.58 32.51 1gar s HIS 192 CO 0.04 -0.10 0.31 0.39 -0.00 0.00 0.00 174.74 175.39 1gar n GLU 193 N 2.94 -0.90 -3.32 1.40 1.02 -1.26 -0.50 120.64 120.02 1gar n GLU 193 Ca -0.13 0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 1gar n GLU 193 Cb 0.59 -3.29 0.00 0.00 -0.02 0.00 0.00 31.44 28.72 1gar n GLU 193 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1gar n ASN 194 N -2.62 -4.05 -3.98 1.62 5.15 -1.26 -4.99 115.26 105.12 1gar n ASN 194 Ca -0.24 -0.38 -0.14 0.00 -0.60 0.00 0.00 54.58 53.23 1gar n ASN 194 Cb 0.64 -3.34 -0.13 0.00 -0.53 0.00 0.00 39.78 36.43 1gar n ASN 194 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gar s ALA 195 N -2.97 0.40 0.12 5.20 0.00 0.34 -4.37 121.76 120.49 1gar s ALA 195 Ca 0.39 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 1gar s ALA 195 Cb -0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 1gar s ALA 195 CO 0.48 0.03 0.44 0.00 0.00 0.00 0.00 175.76 176.70 1gar s ALA 196 N -0.66 3.70 -0.13 0.00 0.00 -1.26 -0.38 121.76 123.02 1gar s ALA 196 Ca -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 1gar s ALA 196 Cb -0.05 -2.30 0.05 0.00 0.00 0.00 0.00 23.12 20.82 1gar s ALA 196 CO -0.00 0.56 0.09 -1.58 0.00 0.00 0.00 175.76 174.84 1gar s TRP 197 N -1.51 0.11 -0.20 0.00 0.52 0.52 -1.93 118.94 116.46 1gar s TRP 197 Ca 0.37 -0.08 -0.09 0.00 0.02 0.00 0.00 56.10 56.32 1gar s TRP 197 Cb -0.13 -0.59 -0.04 0.00 -1.15 0.00 0.00 33.47 31.55 1gar s TRP 197 CO 0.20 -0.42 0.10 -1.17 0.02 0.00 0.00 176.95 175.67 1gar s LEU 198 N 2.17 3.98 -1.45 2.99 2.96 0.78 -1.23 118.68 128.88 1gar s LEU 198 Ca 0.03 0.12 -0.15 0.00 -0.22 0.00 0.00 54.13 53.92 1gar s LEU 198 Cb -0.15 -2.03 0.13 0.00 0.50 0.00 0.00 46.19 44.64 1gar s LEU 198 CO -0.07 0.15 0.60 0.47 -1.32 0.00 0.00 176.35 176.18 1gar n ASP 199 N 3.69 -3.14 0.00 3.68 8.00 0.37 -0.64 116.55 128.51 1gar n ASP 199 Ca -0.16 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1gar n ASP 199 Cb 0.52 -2.61 0.00 0.00 -0.02 0.00 0.00 41.12 39.01 1gar n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gar n GLY 200 N -1.20 2.27 3.73 0.44 0.00 -1.26 -4.99 105.19 104.18 1gar n GLY 200 Ca 0.05 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1gar n GLY 200 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gar s GLN 201 N 0.00 4.41 -0.10 1.61 -2.07 0.19 -4.93 119.66 118.76 1gar s GLN 201 Ca 0.00 1.99 -0.30 0.00 -1.82 0.00 0.00 55.36 55.23 1gar s GLN 201 Cb 0.00 -3.23 -0.02 0.00 -1.09 0.00 0.00 33.01 28.68 1gar s GLN 201 CO 0.00 -0.24 1.06 0.50 -1.32 0.00 0.00 175.29 175.29 1gar s ARG 202 N 0.15 4.39 0.30 9.60 3.52 -1.26 -0.16 118.95 135.49 1gar s ARG 202 Ca 0.57 1.47 -0.28 0.00 -0.13 0.00 0.00 55.73 57.36 1gar s ARG 202 Cb -0.35 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.39 1gar s ARG 202 CO 0.36 -0.38 1.02 -0.51 -0.81 0.00 0.00 175.30 174.97 1gar s LEU 203 N 2.19 4.46 0.88 -0.88 1.02 -0.81 -4.93 118.68 120.60 1gar s LEU 203 Ca 0.50 2.06 -0.12 0.00 0.02 0.00 0.00 54.13 56.59 1gar s LEU 203 Cb -0.20 -3.81 0.12 0.00 0.02 0.00 0.00 46.19 42.32 1gar s LEU 203 CO 0.18 -0.12 1.15 -2.16 0.02 0.00 0.00 176.35 175.42 1gar s PRO 204 N -1.70 1.43 0.45 1.29 0.04 -1.26 -4.78 135.00 130.47 1gar s PRO 204 Ca 0.47 0.26 0.27 0.00 0.04 0.00 0.00 61.00 62.04 1gar s PRO 204 Cb -0.26 -1.88 1.31 0.00 0.04 0.00 0.00 34.50 33.71 1gar s PRO 204 CO 0.33 -1.99 1.76 -1.35 0.04 0.00 0.00 177.00 175.78 1gar h PRO 205 N -1.35 0.21 -0.58 0.56 0.11 -1.97 0.46 132.00 129.43 1gar h PRO 205 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1gar h PRO 205 Cb 1.33 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1gar h PRO 205 CO 0.63 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1gar n GLN 206 N -4.48 2.54 0.00 1.05 0.00 -1.26 -4.28 117.38 110.95 1gar n GLN 206 Ca 0.27 -2.08 0.00 0.00 0.00 0.00 0.00 57.00 55.19 1gar n GLN 206 Cb 1.10 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 29.81 1gar n GLN 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gar n GLY 207 N 1.27 -1.09 3.69 2.61 0.00 0.16 -3.96 105.19 107.87 1gar n GLY 207 Ca 0.19 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 1gar n GLY 207 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gar n TYR 208 N -0.26 1.36 -0.04 1.61 9.36 -0.35 -4.12 117.16 124.72 1gar n TYR 208 Ca 0.00 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.63 1gar n TYR 208 Cb 0.00 -2.15 0.00 0.00 -0.63 0.00 0.00 39.34 36.56 1gar n TYR 208 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08