#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgj s PRO 5 N 0.00 3.30 0.06 0.54 0.04 -1.26 -4.87 135.00 132.80 1sgj s PRO 5 Ca 0.00 1.64 0.15 0.00 0.04 0.00 0.00 61.00 62.83 1sgj s PRO 5 Cb 0.00 -1.99 0.63 0.00 0.04 0.00 0.00 34.50 33.17 1sgj s PRO 5 CO 0.00 -0.90 1.46 0.00 0.04 0.00 0.00 177.00 177.60 1sgj n ALA 6 N -1.35 1.57 -4.05 8.56 0.00 -1.26 -4.51 120.51 119.46 1sgj n ALA 6 Ca 0.12 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 1sgj n ALA 6 Cb 0.51 -1.24 -0.16 0.00 0.00 0.00 0.00 19.45 18.56 1sgj n ALA 6 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sgj s LEU 7 N -3.32 2.01 -0.21 0.00 2.96 -1.26 -4.68 118.68 114.19 1sgj s LEU 7 Ca 0.05 -0.65 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1sgj s LEU 7 Cb 0.08 -1.31 0.04 0.00 0.50 0.00 0.00 46.19 45.50 1sgj s LEU 7 CO 0.25 -0.06 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.30 1sgj s LEU 8 N 1.39 2.66 0.15 -0.68 1.43 -1.26 -4.98 118.68 117.38 1sgj s LEU 8 Ca 0.03 -0.94 0.10 0.00 -1.03 0.00 0.00 54.13 52.29 1sgj s LEU 8 Cb -0.14 -1.51 -0.13 0.00 0.03 0.00 0.00 46.19 44.44 1sgj s LEU 8 CO -0.11 -0.08 1.25 0.03 0.23 0.00 0.00 176.35 177.68 1sgj h ARG 9 N 7.88 0.00 -3.47 1.70 3.08 -1.93 -3.29 114.38 118.34 1sgj h ARG 9 Ca -0.35 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.48 1sgj h ARG 9 Cb 1.10 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.87 1sgj h ARG 9 CO 0.57 0.78 -0.61 -1.54 -1.07 0.00 0.00 179.97 178.09 1sgj s SER 10 N -6.54 -0.09 -0.25 7.04 1.04 -1.26 -1.81 113.70 111.83 1sgj s SER 10 Ca 0.01 0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.62 1sgj s SER 10 Cb 0.09 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.46 1sgj s SER 10 CO 0.80 -0.06 0.05 -0.69 0.98 0.00 0.00 173.24 174.33 1sgj s VAL 11 N 0.27 0.78 -0.13 5.02 1.01 -1.10 -1.84 120.40 124.41 1sgj s VAL 11 Ca -0.02 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 1sgj s VAL 11 Cb -0.03 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1sgj s VAL 11 CO -0.01 -0.42 0.33 -0.22 0.00 0.00 0.00 175.10 174.79 1sgj s LEU 12 N 1.70 4.28 0.12 3.92 2.96 -0.58 -0.16 118.68 130.93 1sgj s LEU 12 Ca 0.03 0.62 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 1sgj s LEU 12 Cb -0.17 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1sgj s LEU 12 CO -0.16 0.12 0.27 -0.36 -1.32 0.00 0.00 176.35 174.90 1sgj s PHE 13 N 0.26 3.50 -0.07 5.38 0.08 -0.98 0.28 117.98 126.43 1sgj s PHE 13 Ca 0.19 0.22 -0.12 0.00 0.12 0.00 0.00 56.93 57.34 1sgj s PHE 13 Cb -0.14 -1.74 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1sgj s PHE 13 CO 0.06 0.52 0.29 0.00 -0.10 0.00 0.00 175.22 176.00 1sgj s ALA 14 N -1.67 -0.73 0.21 5.36 0.00 -0.49 -4.88 121.76 119.57 1sgj s ALA 14 Ca 0.36 0.61 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 1sgj s ALA 14 Cb -0.12 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.63 1sgj s ALA 14 CO 0.28 -0.19 1.54 -2.14 0.00 0.00 0.00 175.76 175.25 1sgj s PRO 15 N -0.44 4.21 0.66 0.00 0.02 -1.26 -1.05 135.00 137.14 1sgj s PRO 15 Ca -0.06 2.39 0.41 0.00 0.02 0.00 0.00 61.00 63.76 1sgj s PRO 15 Cb -0.04 -3.12 2.26 0.00 0.02 0.00 0.00 34.50 33.63 1sgj s PRO 15 CO 0.02 -0.56 2.31 0.78 -0.33 0.00 0.00 177.00 179.21 1sgj h GLY 16 N 5.99 0.00 -3.03 0.52 0.00 -0.82 -2.14 103.07 103.59 1sgj h GLY 16 Ca -0.44 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1sgj h GLY 16 CO 0.86 0.00 0.14 1.16 0.00 0.00 0.00 176.54 178.70 1sgj n ASN 17 N -3.18 4.53 -3.78 0.19 0.23 -1.26 -2.42 115.26 109.56 1sgj n ASN 17 Ca -0.03 -3.20 -0.28 0.00 -0.53 0.00 0.00 54.58 50.55 1sgj n ASN 17 Cb 0.11 -0.68 -0.12 0.00 -2.08 0.00 0.00 39.78 37.01 1sgj n ASN 17 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1sgj s ARG 18 N -2.96 2.06 0.40 -3.83 1.81 -0.81 -4.95 118.95 110.68 1sgj s ARG 18 Ca 0.51 -3.00 0.16 0.00 -1.72 0.00 0.00 55.73 51.69 1sgj s ARG 18 Cb 0.41 -2.94 1.04 0.00 -0.45 0.00 0.00 34.95 33.01 1sgj s ARG 18 CO 0.11 -1.30 1.83 0.00 -0.68 0.00 0.00 175.30 175.27 1sgj h ALA 19 N 5.55 2.14 -0.40 2.13 0.00 -1.84 -1.20 119.26 125.64 1sgj h ALA 19 Ca 0.16 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1sgj h ALA 19 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1sgj h ALA 19 CO 0.63 -0.46 -0.13 0.38 0.00 0.00 0.00 179.25 179.68 1sgj h ASP 20 N 0.46 0.80 0.17 0.00 2.03 -1.96 -2.28 116.42 115.64 1sgj h ASP 20 Ca 0.51 -0.38 -0.17 0.00 -0.73 0.00 0.00 57.03 56.26 1sgj h ASP 20 Cb 1.19 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.47 1sgj h ASP 20 CO -0.22 1.00 -0.64 -0.07 -1.03 0.00 0.00 179.24 178.27 1sgj h LEU 21 N 0.60 0.52 -0.85 0.15 3.38 -1.65 -2.83 115.31 114.63 1sgj h LEU 21 Ca 0.10 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1sgj h LEU 21 Cb 0.66 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1sgj h LEU 21 CO 0.05 1.03 0.41 0.40 0.09 0.00 0.00 178.44 180.41 1sgj h ILE 22 N 0.33 1.26 0.00 1.22 2.04 -1.21 -2.32 117.51 118.83 1sgj h ILE 22 Ca -0.01 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1sgj h ILE 22 Cb 1.19 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1sgj h ILE 22 CO 0.11 0.31 -0.30 0.00 0.00 0.00 0.00 178.15 178.27 1sgj h ALA 23 N 1.22 1.15 -0.00 1.87 0.00 -1.32 -2.55 119.26 119.63 1sgj h ALA 23 Ca 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sgj h ALA 23 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sgj h ALA 23 CO -0.04 0.37 -0.16 1.63 0.00 0.00 0.00 179.25 181.06 1sgj n LYS 24 N -3.67 0.27 -0.32 0.00 5.02 -0.91 -4.31 118.16 114.24 1sgj n LYS 24 Ca -0.01 -0.08 0.18 0.00 -2.02 0.00 0.00 58.31 56.37 1sgj n LYS 24 Cb 0.41 -1.50 0.42 0.00 -0.02 0.00 0.00 35.03 34.34 1sgj n LYS 24 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1sgj h LEU 25 N 0.20 0.60 -0.02 -0.35 5.85 -1.08 -2.40 115.31 118.12 1sgj h LEU 25 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sgj h LEU 25 Cb 0.44 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1sgj h LEU 25 CO 0.00 0.18 0.00 -2.65 -0.34 0.00 0.00 178.44 175.63 1sgj n PRO 26 N -4.69 0.03 -0.27 5.25 -0.02 -1.26 -4.24 135.00 129.79 1sgj n PRO 26 Ca 0.24 0.07 0.08 0.00 -2.02 0.00 0.00 63.50 61.87 1sgj n PRO 26 Cb 0.71 -1.54 0.22 0.00 -0.02 0.00 0.00 33.50 32.87 1sgj n PRO 26 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1sgj h ARG 27 N 0.00 0.31 -0.07 -0.52 2.43 -1.74 -0.32 114.38 114.47 1sgj h ARG 27 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sgj h ARG 27 Cb 0.49 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1sgj h ARG 27 CO 0.00 0.20 0.00 -1.13 -1.51 0.00 0.00 179.97 177.53 1sgj n SER 28 N -5.12 1.29 -3.53 -3.80 3.41 -1.26 -4.97 113.62 99.65 1sgj n SER 28 Ca 0.17 -1.52 -0.19 0.00 -0.26 0.00 0.00 58.87 57.06 1sgj n SER 28 Cb 0.53 -0.04 0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1sgj n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgj n ALA 29 N 0.04 -2.13 -1.42 7.33 0.00 -0.13 -4.80 120.51 119.39 1sgj n ALA 29 Ca 0.18 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 1sgj n ALA 29 Cb 0.30 -2.85 0.07 0.00 0.00 0.00 0.00 19.45 16.96 1sgj n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sgj s PRO 30 N -5.51 2.62 0.30 0.00 0.04 -1.26 -4.92 135.00 126.27 1sgj s PRO 30 Ca 0.10 1.08 0.08 0.00 0.04 0.00 0.00 61.00 62.30 1sgj s PRO 30 Cb -0.02 -1.95 0.48 0.00 0.04 0.00 0.00 34.50 33.05 1sgj s PRO 30 CO 0.77 -1.36 1.71 -0.44 0.04 0.00 0.00 177.00 177.72 1sgj h ASP 31 N -0.86 0.20 -5.12 6.66 3.32 -1.92 -3.46 116.42 115.24 1sgj h ASP 31 Ca -0.44 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.46 1sgj h ASP 31 Cb 1.22 -0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1sgj h ASP 31 CO 0.54 0.61 -0.25 0.00 -1.72 0.00 0.00 179.24 178.41 1sgj s ALA 32 N -4.10 -0.51 0.12 3.45 0.00 -0.77 -3.41 121.76 116.53 1sgj s ALA 32 Ca -0.04 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.56 1sgj s ALA 32 Cb 0.13 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1sgj s ALA 32 CO 0.77 -0.56 -0.08 0.14 0.00 0.00 0.00 175.76 176.02 1sgj s VAL 33 N -3.81 0.89 -0.15 0.00 -7.23 -0.68 -1.52 120.40 107.90 1sgj s VAL 33 Ca 0.04 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1sgj s VAL 33 Cb 0.04 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.32 1sgj s VAL 33 CO -0.11 -0.79 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.19 1sgj s VAL 34 N -3.37 0.74 -0.50 1.32 1.01 0.14 -1.43 120.40 118.31 1sgj s VAL 34 Ca 0.13 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 1sgj s VAL 34 Cb 0.03 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1sgj s VAL 34 CO -0.02 0.04 0.86 -0.63 0.00 0.00 0.00 175.10 175.35 1sgj s ILE 35 N 1.79 4.53 -0.28 2.22 1.01 -0.34 -1.39 121.20 128.74 1sgj s ILE 35 Ca 0.01 0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.83 1sgj s ILE 35 Cb -0.15 -4.43 -0.02 0.00 0.01 0.00 0.00 42.46 37.87 1sgj s ILE 35 CO -0.07 -0.91 0.52 -0.62 0.00 0.00 0.00 174.94 173.86 1sgj s ASP 36 N 2.49 6.42 0.00 3.58 2.15 -0.21 -0.81 116.67 130.30 1sgj s ASP 36 Ca 0.30 0.44 0.22 0.00 0.43 0.00 0.00 52.55 53.95 1sgj s ASP 36 Cb -0.12 -2.28 -0.06 0.00 -0.30 0.00 0.00 42.92 40.16 1sgj s ASP 36 CO 0.21 -0.33 1.04 0.18 -0.17 0.00 0.00 175.17 176.10 1sgj n LEU 37 N 5.59 1.51 0.00 -1.34 4.77 -0.10 -0.13 117.00 127.30 1sgj n LEU 37 Ca -0.04 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1sgj n LEU 37 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1sgj n LEU 37 CO 0.41 0.31 0.00 1.21 -1.33 0.00 0.00 177.39 177.99 1sgj n GLU 38 N -0.72 0.00 -0.30 3.23 2.13 -1.25 -4.44 120.64 119.29 1sgj n GLU 38 Ca 0.07 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.02 1sgj n GLU 38 Cb 0.40 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.41 1sgj n GLU 38 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1sgj h ASP 39 N 0.00 0.14 0.06 4.31 3.32 -1.94 -0.97 116.42 121.35 1sgj h ASP 39 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1sgj h ASP 39 Cb 0.00 0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1sgj h ASP 39 CO 0.00 -0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.43 1sgj h ALA 40 N 1.74 1.00 -4.36 3.45 0.00 -1.87 -3.42 119.26 115.80 1sgj h ALA 40 Ca 0.55 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.78 1sgj h ALA 40 Cb 1.08 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.57 1sgj h ALA 40 CO -0.59 0.00 -0.88 0.14 0.00 0.00 0.00 179.25 177.92 1sgj s VAL 41 N -4.08 1.96 0.39 0.00 -7.23 -0.37 -4.85 120.40 106.21 1sgj s VAL 41 Ca -0.04 -1.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.86 1sgj s VAL 41 Cb 0.12 -1.64 -0.15 0.00 0.56 0.00 0.00 36.38 35.28 1sgj s VAL 41 CO 0.40 0.55 0.22 -2.65 -0.31 0.00 0.00 175.10 173.31 1sgj n PRO 42 N 2.66 0.12 -1.43 4.82 -0.02 -1.26 -4.81 135.00 135.08 1sgj n PRO 42 Ca -0.16 0.04 -0.28 0.00 -2.02 0.00 0.00 63.50 61.08 1sgj n PRO 42 Cb 0.52 -1.11 -0.07 0.00 -0.02 0.00 0.00 33.50 32.82 1sgj n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sgj n GLY 43 N 2.19 4.14 3.23 -1.23 0.00 -1.26 -4.31 105.19 107.97 1sgj n GLY 43 Ca 0.12 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 1sgj n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sgj s THR 44 N -0.11 1.45 0.38 2.61 -4.23 -1.26 -5.02 115.64 109.47 1sgj s THR 44 Ca 0.63 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.81 1sgj s THR 44 Cb 0.28 -1.34 0.30 0.00 1.34 0.00 0.00 72.50 73.08 1sgj s THR 44 CO -0.10 -0.10 1.97 0.00 -0.54 0.00 0.00 174.62 175.85 1sgj h ALA 45 N 4.25 1.78 -0.17 3.99 0.00 -1.99 -1.53 119.26 125.59 1sgj h ALA 45 Ca -0.43 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1sgj h ALA 45 Cb 1.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1sgj h ALA 45 CO 0.40 0.10 -0.11 0.93 0.00 0.00 0.00 179.25 180.58 1sgj h GLU 46 N 0.66 0.37 -0.48 0.00 3.07 -1.95 -2.08 114.58 114.17 1sgj h GLU 46 Ca 0.30 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 58.89 1sgj h GLU 46 Cb 0.32 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1sgj h GLU 46 CO -0.10 0.70 -0.05 0.00 -1.40 0.00 0.00 179.01 178.16 1sgj h ALA 47 N 0.66 0.65 -0.16 3.43 0.00 -1.75 -1.65 119.26 120.45 1sgj h ALA 47 Ca 0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1sgj h ALA 47 Cb 0.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1sgj h ALA 47 CO 0.03 0.50 -0.24 0.87 0.00 0.00 0.00 179.25 180.41 1sgj h LYS 48 N 0.73 0.28 -0.06 0.00 1.79 -1.33 -1.54 116.57 116.45 1sgj h LYS 48 Ca 0.13 -0.09 -0.14 0.00 -2.18 0.00 0.00 60.65 58.36 1sgj h LYS 48 Cb 0.58 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1sgj h LYS 48 CO 0.03 0.52 -0.52 0.00 -1.08 0.00 0.00 179.45 178.40 1sgj h ALA 49 N 1.49 0.15 -0.49 3.86 0.00 -1.23 -3.08 119.26 119.95 1sgj h ALA 49 Ca 0.04 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1sgj h ALA 49 Cb 0.58 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1sgj h ALA 49 CO 0.04 0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.87 1sgj h ALA 50 N 0.41 1.48 0.00 0.00 0.00 -1.16 -2.76 119.26 117.24 1sgj h ALA 50 Ca -0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1sgj h ALA 50 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1sgj h ALA 50 CO 0.11 0.42 -0.38 0.00 0.00 0.00 0.00 179.25 179.39 1sgj h ALA 51 N 1.56 1.06 0.05 0.00 0.00 -1.29 -3.34 119.26 117.30 1sgj h ALA 51 Ca 0.17 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1sgj h ALA 51 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1sgj h ALA 51 CO -0.02 0.47 -0.10 0.00 0.00 0.00 0.00 179.25 179.60 1sgj h ARG 52 N 0.00 -0.19 -0.09 0.00 3.08 -1.40 -1.39 114.38 114.39 1sgj h ARG 52 Ca -0.00 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1sgj h ARG 52 Cb 0.84 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 1sgj h ARG 52 CO 0.05 -0.13 -0.37 -1.00 -1.07 0.00 0.00 179.97 177.45 1sgj h PRO 53 N -0.20 0.17 -0.14 0.04 0.13 -1.73 -1.07 132.00 129.20 1sgj h PRO 53 Ca 0.02 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1sgj h PRO 53 Cb 0.22 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 1sgj h PRO 53 CO -0.06 0.53 0.02 0.28 -0.23 0.00 0.00 178.00 178.53 1sgj h VAL 54 N 0.15 1.23 -0.11 1.56 2.07 -1.64 -1.99 116.25 117.52 1sgj h VAL 54 Ca 0.02 -0.75 -0.14 0.00 0.82 0.00 0.00 66.70 66.65 1sgj h VAL 54 Cb 0.73 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1sgj h VAL 54 CO 0.05 0.22 -0.52 0.00 0.02 0.00 0.00 177.57 177.34 1sgj h ALA 55 N 0.79 0.90 0.04 1.67 0.00 -0.90 -0.98 119.26 120.78 1sgj h ALA 55 Ca 0.04 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1sgj h ALA 55 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sgj h ALA 55 CO 0.00 0.68 -0.02 1.25 0.00 0.00 0.00 179.25 181.16 1sgj h HIS 56 N 0.25 -0.05 -0.29 0.00 6.17 -1.08 0.34 115.15 120.48 1sgj h HIS 56 Ca 0.01 -0.00 -0.13 0.00 0.71 0.00 0.00 60.37 60.95 1sgj h HIS 56 Cb 1.00 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.94 1sgj h HIS 56 CO 0.02 0.06 -0.36 -0.44 0.71 0.00 0.00 177.93 177.93 1sgj h ASP 57 N -0.14 0.69 -0.60 3.26 3.32 -1.34 -2.60 116.42 119.01 1sgj h ASP 57 Ca -0.01 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.68 1sgj h ASP 57 Cb 0.13 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1sgj h ASP 57 CO 0.01 0.99 0.11 0.00 -1.72 0.00 0.00 179.24 178.62 1sgj h ALA 58 N 1.05 1.00 -0.54 3.45 0.00 -1.03 -0.72 119.26 122.47 1sgj h ALA 58 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1sgj h ALA 58 Cb 0.87 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1sgj h ALA 58 CO 0.08 0.63 0.14 0.00 0.00 0.00 0.00 179.25 180.09 1sgj h ALA 59 N 1.15 0.71 -0.03 0.00 0.00 -0.82 -0.34 119.26 119.93 1sgj h ALA 59 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sgj h ALA 59 Cb 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sgj h ALA 59 CO 0.01 0.41 0.01 -0.09 0.00 0.00 0.00 179.25 179.59 1sgj h ARG 60 N 0.76 0.05 -0.57 0.00 2.43 -1.19 -1.39 114.38 114.47 1sgj h ARG 60 Ca 0.17 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1sgj h ARG 60 Cb 0.33 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1sgj h ARG 60 CO 0.00 0.20 0.37 -0.44 -1.51 0.00 0.00 179.97 178.60 1sgj h ASP 61 N -0.12 0.64 -0.13 -3.80 3.32 -1.02 -2.47 116.42 112.85 1sgj h ASP 61 Ca 0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sgj h ASP 61 Cb 0.17 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1sgj h ASP 61 CO -0.00 0.46 0.08 0.25 -1.72 0.00 0.00 179.24 178.31 1sgj h LEU 62 N 0.76 0.16 -1.66 1.55 5.85 -0.95 -1.34 115.31 119.69 1sgj h LEU 62 Ca 0.21 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1sgj h LEU 62 Cb -0.07 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1sgj h LEU 62 CO -0.05 0.17 0.18 0.40 -0.34 0.00 0.00 178.44 178.79 1sgj h ILE 63 N 0.14 1.09 0.00 4.05 2.04 -1.12 0.75 117.51 124.45 1sgj h ILE 63 Ca 0.05 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.55 1sgj h ILE 63 Cb 0.04 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1sgj h ILE 63 CO -0.01 0.09 -0.71 0.00 0.00 0.00 0.00 178.15 177.52 1sgj h ALA 64 N 1.78 0.67 0.06 1.87 0.00 -1.08 -2.90 119.26 119.66 1sgj h ALA 64 Ca 0.11 -0.65 -0.28 0.00 0.00 0.00 0.00 54.91 54.09 1sgj h ALA 64 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1sgj h ALA 64 CO -0.02 0.89 -1.49 0.00 0.00 0.00 0.00 179.25 178.64 1sgj h ALA 65 N 1.29 0.43 -2.38 0.00 0.00 -0.39 -3.40 119.26 114.80 1sgj h ALA 65 Ca -0.01 -1.18 -0.59 0.00 0.00 0.00 0.00 54.91 53.13 1sgj h ALA 65 Cb 1.39 0.26 -0.41 0.00 0.00 0.00 0.00 17.79 19.04 1sgj h ALA 65 CO 0.09 1.29 -0.78 0.00 0.00 0.00 0.00 179.25 179.85 1sgj n ALA 66 N -2.58 3.30 0.23 0.00 0.00 0.18 -4.97 120.51 116.65 1sgj n ALA 66 Ca -0.14 -4.08 0.18 0.00 0.00 0.00 0.00 53.44 49.40 1sgj n ALA 66 Cb 1.02 -0.88 0.81 0.00 0.00 0.00 0.00 19.45 20.41 1sgj n ALA 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1sgj h PRO 67 N 4.67 0.00 -0.40 0.00 0.11 -1.73 -1.82 132.00 132.84 1sgj h PRO 67 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1sgj h PRO 67 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1sgj h PRO 67 CO 0.63 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.14 1sgj n HIS 68 N -3.33 0.51 -3.15 0.65 8.25 -1.26 -4.93 115.22 111.96 1sgj n HIS 68 Ca 0.02 -0.27 -0.39 0.00 -0.26 0.00 0.00 57.72 56.82 1sgj n HIS 68 Cb 0.44 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 1sgj n HIS 68 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1sgj s LEU 69 N -1.42 4.41 -0.44 2.41 2.96 -0.69 -5.02 118.68 120.89 1sgj s LEU 69 Ca 0.38 1.20 -0.28 0.00 -0.22 0.00 0.00 54.13 55.21 1sgj s LEU 69 Cb 0.22 -2.98 0.03 0.00 0.50 0.00 0.00 46.19 43.95 1sgj s LEU 69 CO 0.31 0.06 1.07 0.00 -1.32 0.00 0.00 176.35 176.46 1sgj s ALA 70 N -0.03 3.25 -0.22 5.97 0.00 -1.22 -4.96 121.76 124.55 1sgj s ALA 70 Ca 0.33 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 1sgj s ALA 70 Cb -0.18 -3.78 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 1sgj s ALA 70 CO 0.18 -2.04 0.05 0.08 0.00 0.00 0.00 175.76 174.03 1sgj s VAL 71 N 4.11 4.40 0.28 0.00 1.01 -1.26 -1.68 120.40 127.25 1sgj s VAL 71 Ca 0.45 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 62.38 1sgj s VAL 71 Cb -0.09 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1sgj s VAL 71 CO 0.27 0.40 -0.13 -0.36 0.00 0.00 0.00 175.10 175.28 1sgj s PHE 72 N 1.07 2.43 -0.06 5.22 0.08 -0.52 -0.63 117.98 125.56 1sgj s PHE 72 Ca 0.04 -0.30 0.03 0.00 0.12 0.00 0.00 56.93 56.82 1sgj s PHE 72 Cb -0.14 -1.07 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 1sgj s PHE 72 CO 0.03 0.68 -0.15 0.08 -0.10 0.00 0.00 175.22 175.75 1sgj s VAL 73 N -2.45 1.36 -0.26 -0.44 1.01 -1.22 -1.20 120.40 117.20 1sgj s VAL 73 Ca 0.31 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1sgj s VAL 73 Cb -0.05 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1sgj s VAL 73 CO 0.17 0.40 0.17 -0.60 0.00 0.00 0.00 175.10 175.24 1sgj s ARG 74 N 0.42 4.00 0.55 2.72 3.52 0.01 -0.82 118.95 129.36 1sgj s ARG 74 Ca -0.12 -0.30 0.04 0.00 -0.13 0.00 0.00 55.73 55.22 1sgj s ARG 74 Cb -0.15 -3.59 0.05 0.00 -1.56 0.00 0.00 34.95 29.70 1sgj s ARG 74 CO 0.04 -0.06 0.76 0.14 -0.81 0.00 0.00 175.30 175.38 1sgj s VAL 75 N 1.40 2.58 0.86 7.11 -7.23 -0.76 -0.92 120.40 123.43 1sgj s VAL 75 Ca 0.07 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 1sgj s VAL 75 Cb -0.15 -2.79 0.11 0.00 0.56 0.00 0.00 36.38 34.11 1sgj s VAL 75 CO 0.08 0.00 1.12 0.20 -0.31 0.00 0.00 175.10 176.19 1sgj s ASN 76 N -4.50 3.99 0.55 4.85 0.01 -1.26 -4.31 114.94 114.27 1sgj s ASN 76 Ca 0.59 1.08 -0.21 0.00 -0.71 0.00 0.00 52.86 53.60 1sgj s ASN 76 Cb -0.09 -1.71 -0.05 0.00 0.41 0.00 0.00 41.25 39.81 1sgj s ASN 76 CO 0.38 -2.26 1.26 0.00 -1.51 0.00 0.00 177.10 174.97 1sgj n ALA 77 N -3.59 1.19 -0.29 0.60 0.00 -1.26 -4.58 120.51 112.59 1sgj n ALA 77 Ca 0.07 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1sgj n ALA 77 Cb 0.58 -2.29 0.25 0.00 0.00 0.00 0.00 19.45 18.00 1sgj n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sgj h LEU 78 N 1.24 -0.06 -1.50 0.00 5.85 -1.91 -0.54 115.31 118.39 1sgj h LEU 78 Ca -0.50 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1sgj h LEU 78 Cb 1.32 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1sgj h LEU 78 CO 0.56 -0.14 0.00 1.41 -0.34 0.00 0.00 178.44 179.92 1sgj n HIS 79 N -5.24 0.57 -2.42 1.25 8.25 -1.26 -4.72 115.22 111.65 1sgj n HIS 79 Ca 0.19 -0.27 -0.27 0.00 -0.26 0.00 0.00 57.72 57.11 1sgj n HIS 79 Cb 0.62 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.73 1sgj n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1sgj s SER 80 N -0.95 5.71 -0.00 0.41 1.04 -0.21 -4.94 113.70 114.76 1sgj s SER 80 Ca 0.26 0.76 0.01 0.00 0.48 0.00 0.00 55.95 57.46 1sgj s SER 80 Cb 0.14 -1.81 0.03 0.00 0.10 0.00 0.00 66.02 64.49 1sgj s SER 80 CO 0.17 -0.98 0.97 -0.81 0.98 0.00 0.00 173.24 173.57 1sgj n PRO 81 N -2.54 1.09 -0.00 4.02 -0.04 -1.26 -3.64 135.00 132.64 1sgj n PRO 81 Ca 0.04 -0.13 0.05 0.00 -0.04 0.00 0.00 63.50 63.42 1sgj n PRO 81 Cb 0.57 -1.09 -0.08 0.00 -0.04 0.00 0.00 33.50 32.87 1sgj n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sgj n TYR 82 N -0.35 0.00 -0.15 0.54 4.01 -1.26 -4.75 117.16 115.20 1sgj n TYR 82 Ca 0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 1sgj n TYR 82 Cb 0.06 -0.22 -0.07 0.00 -0.31 0.00 0.00 39.34 38.80 1sgj n TYR 82 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1sgj h PHE 83 N 0.00 -1.46 -0.61 -0.72 3.57 -1.73 -1.93 116.94 114.06 1sgj h PHE 83 Ca 0.00 0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1sgj h PHE 83 Cb 0.45 0.70 -0.10 0.00 2.79 0.00 0.00 35.95 39.79 1sgj h PHE 83 CO 0.00 -0.46 -0.53 1.49 -2.23 0.00 0.00 178.31 176.58 1sgj h GLU 84 N -0.34 -0.24 0.00 1.11 4.57 -1.85 -0.95 114.58 116.87 1sgj h GLU 84 Ca 0.12 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1sgj h GLU 84 Cb 0.59 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1sgj h GLU 84 CO -0.61 -0.16 -0.02 -0.44 -1.18 0.00 0.00 179.01 176.60 1sgj h ASP 85 N -0.25 0.00 0.33 1.04 3.32 -1.84 -2.79 116.42 116.23 1sgj h ASP 85 Ca 0.13 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1sgj h ASP 85 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1sgj h ASP 85 CO -0.71 0.02 -0.47 0.44 -1.72 0.00 0.00 179.24 176.79 1sgj h ASP 86 N 0.00 0.18 -0.08 6.45 3.32 -0.36 -2.99 116.42 122.94 1sgj h ASP 86 Ca -0.00 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.98 1sgj h ASP 86 Cb 0.51 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1sgj h ASP 86 CO 0.00 0.63 0.06 -0.07 -1.72 0.00 0.00 179.24 178.14 1sgj h LEU 87 N 0.14 0.05 -2.08 1.55 3.38 -1.22 -0.90 115.31 116.24 1sgj h LEU 87 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sgj h LEU 87 Cb 0.89 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1sgj h LEU 87 CO 0.07 0.03 0.00 0.28 0.09 0.00 0.00 178.44 178.91 1sgj h SER 88 N 0.06 0.00 1.20 -0.43 0.02 -1.68 -1.31 113.55 111.41 1sgj h SER 88 Ca 0.03 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 1sgj h SER 88 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1sgj h SER 88 CO -0.00 0.00 -0.80 0.58 -1.14 0.00 0.00 176.83 175.46 1sgj h VAL 89 N 0.00 1.30 -4.15 2.27 2.07 -1.33 -3.47 116.25 112.94 1sgj h VAL 89 Ca 0.00 -2.85 -0.51 0.00 0.82 0.00 0.00 66.70 64.16 1sgj h VAL 89 Cb 0.04 2.64 0.10 0.00 -1.52 0.00 0.00 31.29 32.55 1sgj h VAL 89 CO 0.00 0.74 0.40 -0.76 0.02 0.00 0.00 177.57 177.97 1sgj s LEU 90 N -6.57 3.52 0.01 2.57 1.43 -0.50 -4.76 118.68 114.39 1sgj s LEU 90 Ca 0.02 2.13 -0.09 0.00 -1.03 0.00 0.00 54.13 55.15 1sgj s LEU 90 Cb 0.09 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.75 1sgj s LEU 90 CO 0.79 -1.56 0.18 0.42 0.23 0.00 0.00 176.35 176.41 1sgj s THR 91 N -2.06 0.09 0.54 5.49 -4.23 -1.26 -5.04 115.64 109.17 1sgj s THR 91 Ca 0.70 -0.74 0.34 0.00 -1.18 0.00 0.00 61.69 60.82 1sgj s THR 91 Cb -0.23 -0.63 0.34 0.00 1.34 0.00 0.00 72.50 73.31 1sgj s THR 91 CO 0.36 -0.41 2.04 -0.65 -0.54 0.00 0.00 174.62 175.43 1sgj h PRO 92 N 3.92 0.00 0.00 3.99 0.11 -1.93 -1.83 132.00 136.25 1sgj h PRO 92 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1sgj h PRO 92 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sgj h PRO 92 CO 0.43 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.15 1sgj h GLU 93 N 0.00 0.00 -7.15 1.05 3.07 -1.98 -3.44 114.58 106.13 1sgj h GLU 93 Ca 0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 1sgj h GLU 93 Cb 0.33 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.32 1sgj h GLU 93 CO 0.00 0.00 0.40 -0.51 -1.40 0.00 0.00 179.01 177.50 1sgj s LEU 94 N -5.82 3.55 0.33 1.33 1.43 -0.69 -4.86 118.68 113.95 1sgj s LEU 94 Ca 0.03 2.06 0.18 0.00 -1.03 0.00 0.00 54.13 55.37 1sgj s LEU 94 Cb 0.08 -4.56 0.20 0.00 0.03 0.00 0.00 46.19 41.94 1sgj s LEU 94 CO 0.54 -1.42 1.51 0.28 0.23 0.00 0.00 176.35 177.50 1sgj h SER 95 N 0.56 0.00 0.00 2.29 0.02 -1.18 -3.49 113.55 111.76 1sgj h SER 95 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1sgj h SER 95 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1sgj h SER 95 CO 0.56 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 177.22 1sgj n GLY 96 N 1.11 -1.17 3.05 -3.77 0.00 -1.25 -4.30 105.19 98.86 1sgj n GLY 96 Ca 0.02 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 1sgj n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgj s VAL 97 N -2.27 1.08 -0.24 1.61 0.11 -0.75 -3.39 120.40 116.55 1sgj s VAL 97 Ca 0.00 -0.51 -0.16 0.00 -2.93 0.00 0.00 61.98 58.39 1sgj s VAL 97 Cb 0.00 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1sgj s VAL 97 CO 0.00 0.33 0.41 -0.69 -3.33 0.00 0.00 175.10 171.81 1sgj s VAL 98 N 0.26 5.17 -0.32 2.04 1.01 0.00 -1.13 120.40 127.43 1sgj s VAL 98 Ca -0.06 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1sgj s VAL 98 Cb -0.11 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.59 1sgj s VAL 98 CO 0.02 0.19 0.04 -0.69 0.00 0.00 0.00 175.10 174.65 1sgj s VAL 99 N 1.78 3.14 0.66 2.92 1.01 -0.77 -1.83 120.40 127.31 1sgj s VAL 99 Ca 0.18 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.61 1sgj s VAL 99 Cb -0.15 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1sgj s VAL 99 CO 0.09 -0.19 1.05 -2.16 0.00 0.00 0.00 175.10 173.89 1sgj s PRO 100 N 1.26 3.19 -1.56 2.72 0.04 -1.26 -0.82 135.00 138.56 1sgj s PRO 100 Ca -0.03 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 61.82 1sgj s PRO 100 Cb -0.20 -2.02 0.09 0.00 0.04 0.00 0.00 34.50 32.40 1sgj s PRO 100 CO -0.01 -0.90 0.70 1.63 0.04 0.00 0.00 177.00 178.46 1sgj n LYS 101 N -2.86 -3.71 -2.43 4.56 5.02 -1.10 -4.54 118.16 113.09 1sgj n LYS 101 Ca 0.07 0.43 -0.37 0.00 -2.02 0.00 0.00 58.31 56.42 1sgj n LYS 101 Cb 0.54 -4.99 -0.03 0.00 -0.02 0.00 0.00 35.03 30.53 1sgj n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sgj s LEU 102 N -7.16 4.18 0.00 -0.35 1.43 -0.52 -4.90 118.68 111.36 1sgj s LEU 102 Ca 0.46 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1sgj s LEU 102 Cb -0.25 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 41.89 1sgj s LEU 102 CO 0.89 -0.56 0.05 -0.62 0.23 0.00 0.00 176.35 176.34 1sgj n GLU 103 N 0.05 1.96 -3.70 1.70 1.02 -1.26 -3.91 120.64 116.50 1sgj n GLU 103 Ca 0.04 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1sgj n GLU 103 Cb 0.48 -0.32 -0.05 0.00 -0.02 0.00 0.00 31.44 31.53 1sgj n GLU 103 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1sgj s MET 104 N -0.29 0.99 0.36 3.49 -1.94 -1.26 -4.40 119.30 116.24 1sgj s MET 104 Ca 0.00 -0.76 0.09 0.00 -1.71 0.00 0.00 55.69 53.31 1sgj s MET 104 Cb 0.00 0.43 0.69 0.00 2.01 0.00 0.00 34.83 37.95 1sgj s MET 104 CO 0.00 -0.37 1.85 0.78 -0.01 0.00 0.00 175.02 177.28 1sgj h GLY 105 N 2.53 0.25 1.52 -0.03 0.00 -1.87 -2.50 103.07 102.98 1sgj h GLY 105 Ca -0.34 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 1sgj h GLY 105 CO 0.49 0.16 0.00 0.00 0.00 0.00 0.00 176.54 177.20 1sgj h ALA 106 N 1.57 1.30 -0.59 3.60 0.00 -1.96 -1.53 119.26 121.65 1sgj h ALA 106 Ca 0.04 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1sgj h ALA 106 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1sgj h ALA 106 CO 0.03 0.48 -0.03 0.93 0.00 0.00 0.00 179.25 180.66 1sgj h GLU 107 N 0.57 1.06 -0.24 0.00 5.08 -1.85 -0.43 114.58 118.76 1sgj h GLU 107 Ca 0.12 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1sgj h GLU 107 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1sgj h GLU 107 CO 0.01 1.05 -0.31 0.00 -1.00 0.00 0.00 179.01 178.76 1sgj h ALA 108 N 0.97 1.01 -0.31 3.43 0.00 -1.36 -1.29 119.26 121.71 1sgj h ALA 108 Ca 0.16 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1sgj h ALA 108 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1sgj h ALA 108 CO 0.04 0.59 -0.35 0.00 0.00 0.00 0.00 179.25 179.53 1sgj h ARG 109 N 0.43 0.71 -0.39 0.00 3.08 -1.06 -0.36 114.38 116.79 1sgj h ARG 109 Ca 0.05 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1sgj h ARG 109 Cb 0.76 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1sgj h ARG 109 CO 0.06 0.96 0.22 1.96 -1.07 0.00 0.00 179.97 182.10 1sgj h GLN 110 N 0.59 0.54 -0.27 0.04 4.20 -0.73 -0.53 115.11 118.95 1sgj h GLN 110 Ca 0.06 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1sgj h GLN 110 Cb 0.88 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1sgj h GLN 110 CO 0.08 0.43 0.15 0.28 -0.67 0.00 0.00 178.83 179.10 1sgj h VAL 111 N 0.50 1.02 -0.63 -0.54 2.07 -1.00 -0.24 116.25 117.44 1sgj h VAL 111 Ca 0.14 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1sgj h VAL 111 Cb 0.04 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1sgj h VAL 111 CO -0.02 0.06 0.41 0.00 0.02 0.00 0.00 177.57 178.03 1sgj h ALA 112 N 1.12 0.80 -0.35 1.67 0.00 -0.76 -1.23 119.26 120.51 1sgj h ALA 112 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1sgj h ALA 112 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1sgj h ALA 112 CO -0.06 0.19 0.01 0.37 0.00 0.00 0.00 179.25 179.76 1sgj h GLN 113 N 0.82 0.62 -0.98 0.00 4.15 -0.78 -1.89 115.11 117.05 1sgj h GLN 113 Ca 0.24 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1sgj h GLN 113 Cb -0.06 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 1sgj h GLN 113 CO -0.07 0.73 0.62 0.52 -1.93 0.00 0.00 178.83 178.70 1sgj h MET 114 N 0.44 1.30 -0.64 1.69 2.86 -0.82 -0.47 114.93 119.29 1sgj h MET 114 Ca 0.10 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1sgj h MET 114 Cb 0.45 -0.28 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1sgj h MET 114 CO 0.02 0.89 0.26 -0.07 1.06 0.00 0.00 176.91 179.06 1sgj h LEU 115 N 1.33 0.88 -0.68 1.22 3.38 -1.06 -2.23 115.31 118.16 1sgj h LEU 115 Ca 0.35 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1sgj h LEU 115 Cb -0.11 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1sgj h LEU 115 CO -0.07 0.81 0.28 -0.61 0.09 0.00 0.00 178.44 178.94 1sgj h GLN 116 N 0.90 1.01 0.00 1.13 4.15 -0.74 0.28 115.11 121.84 1sgj h GLN 116 Ca 0.21 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1sgj h GLN 116 Cb 0.20 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1sgj h GLN 116 CO -0.02 0.84 0.00 0.39 -1.93 0.00 0.00 178.83 178.11 1sgj n GLU 117 N -4.40 0.18 -0.21 1.69 1.02 -0.24 -1.13 120.64 117.56 1sgj n GLU 117 Ca 0.05 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1sgj n GLU 117 Cb 0.17 -1.83 0.22 0.00 -0.02 0.00 0.00 31.44 29.99 1sgj n GLU 117 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sgj n ARG 118 N -2.17 2.53 -3.53 3.49 5.12 -0.87 -4.94 116.66 116.28 1sgj n ARG 118 Ca 0.03 -2.33 -0.20 0.00 -1.93 0.00 0.00 57.85 53.42 1sgj n ARG 118 Cb 0.25 -1.52 0.08 0.00 -1.16 0.00 0.00 32.46 30.11 1sgj n ARG 118 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1sgj n SER 119 N 1.50 -3.34 -3.23 0.55 7.64 -0.28 -4.97 113.62 111.49 1sgj n SER 119 Ca 0.20 -0.63 -0.25 0.00 1.01 0.00 0.00 58.87 59.21 1sgj n SER 119 Cb 0.61 -4.93 -0.06 0.00 -1.01 0.00 0.00 64.21 58.82 1sgj n SER 119 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sgj n LEU 120 N -4.43 2.23 -4.55 -3.43 4.77 0.94 -4.87 117.00 107.65 1sgj n LEU 120 Ca -0.19 -5.17 -0.32 0.00 -0.03 0.00 0.00 56.01 50.30 1sgj n LEU 120 Cb 0.63 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1sgj n LEU 120 CO 0.64 2.15 1.58 -2.84 -1.33 0.00 0.00 177.39 177.59 1sgj s PRO 121 N -2.21 2.37 -0.07 3.23 0.02 -1.26 -4.47 135.00 132.62 1sgj s PRO 121 Ca 0.40 0.54 0.03 0.00 0.02 0.00 0.00 61.00 61.99 1sgj s PRO 121 Cb 0.21 -4.64 0.01 0.00 0.02 0.00 0.00 34.50 30.10 1sgj s PRO 121 CO -0.08 -3.21 -0.15 -0.51 -0.33 0.00 0.00 177.00 172.73 1sgj s LEU 122 N 10.66 1.75 0.74 -5.54 1.43 -1.26 -4.97 118.68 121.50 1sgj s LEU 122 Ca 0.77 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.37 1sgj s LEU 122 Cb -0.12 -0.94 0.04 0.00 0.03 0.00 0.00 46.19 45.21 1sgj s LEU 122 CO 0.15 0.07 1.23 -2.65 0.23 0.00 0.00 176.35 175.38 1sgj n PRO 123 N 3.68 0.55 -4.00 1.29 -0.02 -1.26 -4.68 135.00 130.56 1sgj n PRO 123 Ca -0.22 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.17 1sgj n PRO 123 Cb 0.52 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.45 1sgj n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sgj s ILE 124 N -1.83 4.97 -0.50 4.25 1.01 0.88 -1.82 121.20 128.17 1sgj s ILE 124 Ca 0.77 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 61.34 1sgj s ILE 124 Cb -0.33 -3.20 0.12 0.00 0.01 0.00 0.00 42.46 39.06 1sgj s ILE 124 CO 0.47 0.52 0.39 -0.22 0.00 0.00 0.00 174.94 176.09 1sgj s LEU 125 N -0.18 5.81 0.13 2.97 0.20 -0.29 -1.60 118.68 125.74 1sgj s LEU 125 Ca 0.08 -1.93 -0.30 0.00 0.69 0.00 0.00 54.13 52.67 1sgj s LEU 125 Cb -0.12 -2.05 -0.07 0.00 -0.43 0.00 0.00 46.19 43.52 1sgj s LEU 125 CO 0.01 -0.72 1.16 0.00 -0.29 0.00 0.00 176.35 176.52 1sgj s ALA 126 N 1.35 3.39 -0.36 5.97 0.00 0.10 -1.84 121.76 130.37 1sgj s ALA 126 Ca 0.06 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 1sgj s ALA 126 Cb -0.26 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 1sgj s ALA 126 CO -0.00 -0.34 0.34 0.20 0.00 0.00 0.00 175.76 175.96 1sgj s GLY 127 N 0.40 1.92 -0.50 0.00 0.00 -0.01 -1.31 107.32 107.83 1sgj s GLY 127 Ca 0.54 -1.33 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 1sgj s GLY 127 CO 0.33 0.97 0.36 1.08 0.00 0.00 0.00 173.10 175.84 1sgj s LEU 128 N 1.94 5.62 -0.14 0.66 1.43 -0.53 -1.44 118.68 126.23 1sgj s LEU 128 Ca 0.10 -2.11 0.19 0.00 -1.03 0.00 0.00 54.13 51.27 1sgj s LEU 128 Cb -0.17 -1.97 0.38 0.00 0.03 0.00 0.00 46.19 44.46 1sgj s LEU 128 CO 0.12 -0.62 1.18 -1.84 0.23 0.00 0.00 176.35 175.42 1sgj n GLU 129 N 4.60 0.77 -4.01 1.70 0.28 -1.26 -1.36 120.64 121.36 1sgj n GLU 129 Ca -0.03 -2.20 -0.10 0.00 -0.16 0.00 0.00 57.16 54.67 1sgj n GLU 129 Cb 0.41 -0.37 -0.07 0.00 1.43 0.00 0.00 31.44 32.84 1sgj n GLU 129 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1sgj s THR 130 N -1.22 0.04 0.15 3.84 -4.23 -1.26 -1.71 115.64 111.25 1sgj s THR 130 Ca 0.22 -1.49 -0.18 0.00 -1.18 0.00 0.00 61.69 59.05 1sgj s THR 130 Cb 0.31 -2.06 0.05 0.00 1.34 0.00 0.00 72.50 72.15 1sgj s THR 130 CO -0.09 -0.16 1.68 1.23 -0.54 0.00 0.00 174.62 176.73 1sgj h GLY 131 N 2.47 0.21 1.30 3.99 0.00 -1.90 -2.14 103.07 107.00 1sgj h GLY 131 Ca -0.31 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1sgj h GLY 131 CO 0.45 -0.13 0.12 0.00 0.00 0.00 0.00 176.54 176.99 1sgj h ALA 132 N 1.29 1.17 -0.81 3.60 0.00 -1.93 -0.60 119.26 121.98 1sgj h ALA 132 Ca 0.16 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1sgj h ALA 132 Cb 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1sgj h ALA 132 CO -0.34 0.56 0.54 0.78 0.00 0.00 0.00 179.25 180.79 1sgj h GLY 133 N 0.99 1.14 0.85 0.00 0.00 -1.54 0.17 103.07 104.68 1sgj h GLY 133 Ca 0.18 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 1sgj h GLY 133 CO 0.00 0.42 -0.40 -2.08 0.00 0.00 0.00 176.54 174.48 1sgj h VAL 134 N 1.10 1.36 -0.63 4.60 2.07 -1.09 -1.49 116.25 122.17 1sgj h VAL 134 Ca 0.30 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 66.16 1sgj h VAL 134 Cb -0.13 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1sgj h VAL 134 CO -0.06 0.51 0.38 -0.25 0.02 0.00 0.00 177.57 178.16 1sgj h TRP 135 N 0.11 0.71 -0.84 1.57 2.91 -0.89 -2.25 115.95 117.28 1sgj h TRP 135 Ca -0.01 0.02 -0.35 0.00 1.13 0.00 0.00 58.89 59.68 1sgj h TRP 135 Cb 1.02 -0.23 -0.21 0.00 -0.51 0.00 0.00 29.16 29.23 1sgj h TRP 135 CO 0.11 0.39 0.43 0.09 -1.03 0.00 0.00 178.44 178.43 1sgj n ASN 136 N -4.73 4.21 -0.20 2.65 3.02 0.03 -4.70 115.26 115.54 1sgj n ASN 136 Ca 0.06 -3.43 0.01 0.00 -0.03 0.00 0.00 54.58 51.19 1sgj n ASN 136 Cb 0.10 -0.78 0.11 0.00 -0.61 0.00 0.00 39.78 38.60 1sgj n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sgj h ALA 137 N 1.81 0.69 -0.28 5.41 0.00 -0.63 -1.70 119.26 124.56 1sgj h ALA 137 Ca 0.43 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.46 1sgj h ALA 137 Cb 2.55 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 20.57 1sgj h ALA 137 CO 0.89 -0.35 0.01 -0.09 0.00 0.00 0.00 179.25 179.71 1sgj h ARG 138 N 0.20 0.50 -0.36 0.00 2.43 -1.84 -1.67 114.38 113.63 1sgj h ARG 138 Ca 0.33 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1sgj h ARG 138 Cb 0.52 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1sgj h ARG 138 CO -0.47 0.64 0.17 0.93 -1.51 0.00 0.00 179.97 179.73 1sgj h GLU 139 N 0.29 0.50 -0.07 0.20 5.08 -1.84 -0.80 114.58 117.94 1sgj h GLU 139 Ca 0.08 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1sgj h GLU 139 Cb 0.41 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1sgj h GLU 139 CO 0.01 0.40 -0.15 0.82 -1.00 0.00 0.00 179.01 179.09 1sgj h ILE 140 N 0.50 1.41 0.00 3.13 2.04 -1.18 -3.26 117.51 120.16 1sgj h ILE 140 Ca 0.13 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1sgj h ILE 140 Cb 0.07 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1sgj h ILE 140 CO -0.02 0.41 0.00 0.24 0.00 0.00 0.00 178.15 178.78 1sgj h MET 141 N -0.26 0.00 0.00 2.37 2.86 -0.95 -2.89 114.93 116.06 1sgj h MET 141 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sgj h MET 141 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1sgj h MET 141 CO 0.03 0.00 0.00 -0.85 1.06 0.00 0.00 176.91 177.15 1sgj n GLU 142 N -2.53 0.03 -1.88 1.72 0.28 -0.34 -4.76 120.64 113.15 1sgj n GLU 142 Ca 0.02 0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.63 1sgj n GLU 142 Cb 0.29 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.60 1sgj n GLU 142 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1sgj s VAL 143 N -3.01 2.51 0.25 3.84 1.01 -1.10 -4.89 120.40 119.02 1sgj s VAL 143 Ca 0.13 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 1sgj s VAL 143 Cb 0.18 -3.22 0.25 0.00 0.00 0.00 0.00 36.38 33.58 1sgj s VAL 143 CO 0.53 0.02 1.68 -0.65 0.00 0.00 0.00 175.10 176.69 1sgj h PRO 144 N 6.93 0.27 0.00 2.72 0.11 -1.91 -2.07 132.00 138.05 1sgj h PRO 144 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sgj h PRO 144 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1sgj h PRO 144 CO 0.93 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 179.28 1sgj n GLU 145 N -5.15 0.11 -2.81 1.05 4.71 -1.26 -4.62 120.64 112.67 1sgj n GLU 145 Ca 0.15 0.41 -0.42 0.00 -0.01 0.00 0.00 57.16 57.29 1sgj n GLU 145 Cb 0.49 -1.74 -0.04 0.00 -1.01 0.00 0.00 31.44 29.14 1sgj n GLU 145 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1sgj s VAL 146 N -3.23 4.65 -0.19 2.62 1.01 -0.78 -0.08 120.40 124.40 1sgj s VAL 146 Ca 0.04 1.37 0.11 0.00 0.00 0.00 0.00 61.98 63.50 1sgj s VAL 146 Cb 0.08 -4.28 -0.19 0.00 0.00 0.00 0.00 36.38 31.98 1sgj s VAL 146 CO 0.29 -0.40 -0.02 0.00 0.00 0.00 0.00 175.10 174.97 1sgj n ALA 147 N 6.56 1.55 -2.17 5.51 0.00 -0.63 -4.90 120.51 126.44 1sgj n ALA 147 Ca 0.07 -1.09 -0.09 0.00 0.00 0.00 0.00 53.44 52.33 1sgj n ALA 147 Cb 0.48 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 1sgj n ALA 147 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sgj s TRP 148 N -2.43 0.79 -0.09 0.00 0.51 -1.20 -2.58 118.94 113.94 1sgj s TRP 148 Ca -0.15 -1.19 -0.20 0.00 -2.12 0.00 0.00 56.10 52.44 1sgj s TRP 148 Cb 0.06 -0.45 0.04 0.00 -0.81 0.00 0.00 33.47 32.32 1sgj s TRP 148 CO 0.65 -0.51 0.47 0.00 -0.51 0.00 0.00 176.95 177.05 1sgj s ALA 149 N -4.03 -1.18 0.17 0.98 0.00 -0.20 -0.72 121.76 116.77 1sgj s ALA 149 Ca 0.22 0.96 0.11 0.00 0.00 0.00 0.00 51.96 53.25 1sgj s ALA 149 Cb 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1sgj s ALA 149 CO 0.00 -0.28 -0.24 1.52 0.00 0.00 0.00 175.76 176.77 1sgj s TYR 150 N -0.70 2.33 -0.26 0.00 -0.85 -0.43 -0.10 117.35 117.35 1sgj s TYR 150 Ca -0.08 -0.35 -0.10 0.00 -0.52 0.00 0.00 57.07 56.02 1sgj s TYR 150 Cb -0.03 -1.20 -0.05 0.00 0.38 0.00 0.00 41.96 41.06 1sgj s TYR 150 CO 0.04 0.44 0.16 0.12 -1.52 0.00 0.00 175.55 174.79 1sgj s PHE 151 N -1.43 3.23 -0.71 -3.49 5.36 -0.99 -1.45 117.98 118.50 1sgj s PHE 151 Ca 0.18 0.08 -0.14 0.00 -0.96 0.00 0.00 56.93 56.09 1sgj s PHE 151 Cb -0.09 -2.31 0.19 0.00 -0.34 0.00 0.00 43.02 40.46 1sgj s PHE 151 CO 0.09 -0.10 0.65 0.20 -1.46 0.00 0.00 175.22 174.59 1sgj s GLY 152 N 1.46 2.46 0.24 13.12 0.00 -0.46 -3.83 107.32 120.31 1sgj s GLY 152 Ca 0.07 -3.05 -0.06 0.00 0.00 0.00 0.00 44.72 41.67 1sgj s GLY 152 CO 0.08 1.23 1.91 0.00 0.00 0.00 0.00 173.10 176.31 1sgj h ALA 153 N 8.09 1.23 0.41 3.20 0.00 -1.92 -1.76 119.26 128.51 1sgj h ALA 153 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sgj h ALA 153 Cb 1.05 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1sgj h ALA 153 CO 0.84 0.66 -0.33 0.93 0.00 0.00 0.00 179.25 181.35 1sgj h GLU 154 N 1.33 -0.71 0.00 0.00 4.39 -1.93 -1.26 114.58 116.39 1sgj h GLU 154 Ca 0.35 0.05 -0.07 0.00 0.34 0.00 0.00 59.36 60.03 1sgj h GLU 154 Cb -0.10 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1sgj h GLU 154 CO -0.07 -0.48 -0.33 -0.44 -1.16 0.00 0.00 179.01 176.53 1sgj h ASP 155 N -0.74 0.00 0.27 1.42 5.19 -1.76 -2.55 116.42 118.25 1sgj h ASP 155 Ca -0.04 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1sgj h ASP 155 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1sgj h ASP 155 CO -0.01 0.33 -0.13 0.22 -3.12 0.00 0.00 179.24 176.53 1sgj h TYR 156 N 0.00 -0.33 -0.46 4.55 3.20 -0.42 -0.24 116.97 123.26 1sgj h TYR 156 Ca -0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1sgj h TYR 156 Cb 0.73 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1sgj h TYR 156 CO 0.00 -0.10 0.06 1.79 -1.64 0.00 0.00 178.16 178.26 1sgj h THR 157 N -0.51 1.22 -0.62 1.81 1.35 -1.20 -1.44 112.91 113.53 1sgj h THR 157 Ca -0.04 -0.85 -0.06 0.00 -0.55 0.00 0.00 66.41 64.91 1sgj h THR 157 Cb 0.38 0.81 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 1sgj h THR 157 CO 0.06 0.30 0.15 0.74 -0.25 0.00 0.00 175.52 176.52 1sgj h THR 158 N 0.68 1.25 -0.65 6.82 2.02 -1.34 0.61 112.91 122.31 1sgj h THR 158 Ca 0.15 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 1sgj h THR 158 Cb 0.34 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1sgj h THR 158 CO 0.01 0.35 0.20 -0.78 0.37 0.00 0.00 175.52 175.66 1sgj h ASP 159 N 0.90 0.92 0.16 4.18 3.58 -0.46 -2.62 116.42 123.08 1sgj h ASP 159 Ca 0.19 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1sgj h ASP 159 Cb 0.36 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1sgj h ASP 159 CO 0.00 0.86 -0.10 0.18 -2.88 0.00 0.00 179.24 177.30 1sgj n LEU 160 N -4.27 0.90 -0.20 2.28 4.32 -0.59 -4.90 117.00 114.54 1sgj n LEU 160 Ca 0.05 -0.23 -0.02 0.00 -0.02 0.00 0.00 56.01 55.79 1sgj n LEU 160 Cb 0.22 -0.09 -0.01 0.00 -1.62 0.00 0.00 43.42 41.92 1sgj n LEU 160 CO 0.41 0.16 -0.02 0.61 -1.22 0.00 0.00 177.39 177.32 1sgj n GLY 161 N 1.23 0.49 0.00 -0.72 0.00 -0.30 -5.03 105.19 100.86 1sgj n GLY 161 Ca 0.16 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1sgj n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgj n GLY 162 N -2.31 0.51 3.20 -0.02 0.00 0.20 -5.01 105.19 101.76 1sgj n GLY 162 Ca -0.02 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 1sgj n GLY 162 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sgj s LYS 163 N -0.31 0.37 0.23 1.61 2.20 -1.26 -4.64 119.74 117.94 1sgj s LYS 163 Ca 0.00 0.45 -0.21 0.00 -0.36 0.00 0.00 55.97 55.85 1sgj s LYS 163 Cb 0.00 0.17 -0.08 0.00 -1.51 0.00 0.00 37.83 36.40 1sgj s LYS 163 CO 0.00 -0.05 0.77 1.03 -0.36 0.00 0.00 175.35 176.74 1sgj s ARG 164 N 0.23 4.35 0.22 4.03 1.81 -1.26 -4.92 118.95 123.41 1sgj s ARG 164 Ca -0.01 0.98 0.06 0.00 -1.72 0.00 0.00 55.73 55.05 1sgj s ARG 164 Cb -0.03 -2.92 -0.05 0.00 -0.45 0.00 0.00 34.95 31.50 1sgj s ARG 164 CO -0.00 0.40 -0.09 0.95 -0.68 0.00 0.00 175.30 175.88 1sgj s THR 165 N -1.48 1.48 0.18 0.02 -4.23 -1.26 -5.05 115.64 105.29 1sgj s THR 165 Ca 0.43 -2.13 -0.13 0.00 -1.18 0.00 0.00 61.69 58.68 1sgj s THR 165 Cb -0.18 -2.17 0.08 0.00 1.34 0.00 0.00 72.50 71.57 1sgj s THR 165 CO 0.22 -0.50 1.80 -0.65 -0.54 0.00 0.00 174.62 174.95 1sgj h PRO 166 N 2.51 0.80 -0.43 3.99 0.11 -2.03 -2.77 132.00 134.18 1sgj h PRO 166 Ca -0.38 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1sgj h PRO 166 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1sgj h PRO 166 CO 0.64 0.60 0.06 0.78 -0.21 0.00 0.00 178.00 179.87 1sgj h GLY 167 N 0.79 0.72 -0.14 -0.55 0.00 -2.02 -3.47 103.07 98.40 1sgj h GLY 167 Ca 0.21 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1sgj h GLY 167 CO -0.04 0.39 -0.05 0.61 0.00 0.00 0.00 176.54 177.46 1sgj n GLY 168 N -0.87 0.61 0.29 4.60 0.00 -1.05 -4.91 105.19 103.87 1sgj n GLY 168 Ca 0.03 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.46 1sgj n GLY 168 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sgj h LEU 169 N 0.00 0.00 -0.49 0.99 3.38 -1.91 -0.65 115.31 116.63 1sgj h LEU 169 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sgj h LEU 169 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sgj h LEU 169 CO 0.09 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.78 1sgj n GLU 170 N -4.03 0.14 0.00 1.13 0.00 -1.26 -2.70 120.64 113.92 1sgj n GLU 170 Ca -0.02 0.37 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1sgj n GLU 170 Cb 0.11 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 29.78 1sgj n GLU 170 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1sgj n VAL 171 N -2.04 0.67 -0.28 3.84 0.24 -0.31 -4.78 118.33 115.67 1sgj n VAL 171 Ca 0.03 -0.75 -0.03 0.00 -2.04 0.00 0.00 64.34 61.55 1sgj n VAL 171 Cb 0.22 0.70 0.09 0.00 -1.47 0.00 0.00 33.84 33.38 1sgj n VAL 171 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1sgj h LEU 172 N 0.00 0.82 0.21 1.34 5.85 -1.19 0.22 115.31 122.57 1sgj h LEU 172 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1sgj h LEU 172 Cb 0.48 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1sgj h LEU 172 CO 0.00 0.57 -0.17 0.22 -0.34 0.00 0.00 178.44 178.72 1sgj h TYR 173 N 0.97 -0.45 -0.09 1.25 3.20 -1.86 -0.69 116.97 119.30 1sgj h TYR 173 Ca 0.30 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1sgj h TYR 173 Cb -0.02 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1sgj h TYR 173 CO -0.03 -0.26 0.05 0.00 -1.64 0.00 0.00 178.16 176.28 1sgj h ALA 174 N 0.35 0.12 -0.48 1.82 0.00 -1.81 -1.56 119.26 117.70 1sgj h ALA 174 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sgj h ALA 174 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1sgj h ALA 174 CO -0.02 -0.34 0.32 -0.09 0.00 0.00 0.00 179.25 179.13 1sgj h ARG 175 N 0.05 0.57 -0.05 0.00 2.43 -0.49 -1.46 114.38 115.43 1sgj h ARG 175 Ca 0.03 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1sgj h ARG 175 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1sgj h ARG 175 CO -0.00 0.38 -0.86 0.77 -1.51 0.00 0.00 179.97 178.75 1sgj h SER 176 N 0.59 0.62 -0.37 -3.80 0.02 -0.82 -2.83 113.55 106.96 1sgj h SER 176 Ca 0.19 -0.45 -0.07 0.00 -0.84 0.00 0.00 61.79 60.62 1sgj h SER 176 Cb 0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1sgj h SER 176 CO -0.04 1.23 -0.03 -0.61 -1.14 0.00 0.00 176.83 176.24 1sgj h GLN 177 N 0.32 0.67 -0.61 3.45 4.15 -0.75 -2.08 115.11 120.25 1sgj h GLN 177 Ca -0.06 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 1sgj h GLN 177 Cb 1.47 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 1sgj h GLN 177 CO 0.15 0.79 0.27 0.28 -1.93 0.00 0.00 178.83 178.39 1sgj h VAL 178 N 0.48 1.22 -0.63 2.39 2.07 -1.34 -0.15 116.25 120.30 1sgj h VAL 178 Ca 0.10 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1sgj h VAL 178 Cb 0.51 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1sgj h VAL 178 CO 0.02 0.26 0.21 0.00 0.02 0.00 0.00 177.57 178.09 1sgj h ALA 179 N 1.11 1.19 -0.16 1.67 0.00 -1.40 0.04 119.26 121.70 1sgj h ALA 179 Ca 0.21 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1sgj h ALA 179 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1sgj h ALA 179 CO -0.02 0.57 -0.32 1.25 0.00 0.00 0.00 179.25 180.73 1sgj h LEU 180 N 0.92 0.56 -1.31 0.00 5.85 -1.07 -2.30 115.31 117.96 1sgj h LEU 180 Ca 0.21 -0.55 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 1sgj h LEU 180 Cb 0.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1sgj h LEU 180 CO -0.01 1.01 -0.10 0.00 -0.34 0.00 0.00 178.44 179.00 1sgj h ALA 181 N 0.57 1.43 -0.60 1.25 0.00 -0.85 -1.52 119.26 119.53 1sgj h ALA 181 Ca 0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1sgj h ALA 181 Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1sgj h ALA 181 CO 0.07 0.40 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 1sgj h ALA 182 N 1.57 0.84 -0.40 0.00 0.00 -0.90 -2.28 119.26 118.09 1sgj h ALA 182 Ca 0.07 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1sgj h ALA 182 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1sgj h ALA 182 CO 0.02 0.67 0.03 -0.09 0.00 0.00 0.00 179.25 179.88 1sgj h ARG 183 N 0.97 0.69 0.00 0.00 9.65 -0.87 -0.33 114.38 124.50 1sgj h ARG 183 Ca 0.17 -0.21 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1sgj h ARG 183 Cb 0.57 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1sgj h ARG 183 CO 0.03 0.76 -0.13 -0.07 2.80 0.00 0.00 179.97 183.37 1sgj h LEU 184 N 0.53 0.00 -1.90 3.80 3.38 -1.14 -2.93 115.31 117.05 1sgj h LEU 184 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1sgj h LEU 184 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1sgj h LEU 184 CO 0.01 0.13 0.00 0.35 0.09 0.00 0.00 178.44 179.02 1sgj n THR 185 N -3.67 0.20 -1.17 0.22 -2.24 -0.87 -4.97 114.28 101.78 1sgj n THR 185 Ca -0.02 -0.60 -0.06 0.00 -2.27 0.00 0.00 64.05 61.10 1sgj n THR 185 Cb 0.25 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 1sgj n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgj n GLY 186 N 1.00 0.81 3.85 3.38 0.00 -0.77 -4.90 105.19 108.57 1sgj n GLY 186 Ca 0.12 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1sgj n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgj s VAL 187 N -2.10 5.04 -0.01 1.61 1.01 -0.20 -5.02 120.40 120.73 1sgj s VAL 187 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1sgj s VAL 187 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1sgj s VAL 187 CO 0.00 0.40 0.98 0.00 0.00 0.00 0.00 175.10 176.48 1sgj s ALA 188 N -1.28 3.18 -0.18 5.51 0.00 -1.07 -4.32 121.76 123.61 1sgj s ALA 188 Ca 0.30 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1sgj s ALA 188 Cb -0.15 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1sgj s ALA 188 CO 0.16 -0.26 0.17 0.00 0.00 0.00 0.00 175.76 175.84 1sgj s ALA 189 N 1.08 3.68 -0.18 0.00 0.00 -1.26 -1.04 121.76 124.04 1sgj s ALA 189 Ca 0.51 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1sgj s ALA 189 Cb -0.21 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1sgj s ALA 189 CO 0.27 0.18 -0.02 -0.51 0.00 0.00 0.00 175.76 175.68 1sgj s LEU 190 N 0.26 3.22 0.73 0.00 1.43 0.86 -1.03 118.68 124.15 1sgj s LEU 190 Ca 0.11 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1sgj s LEU 190 Cb -0.12 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1sgj s LEU 190 CO 0.00 0.10 1.07 -0.62 0.23 0.00 0.00 176.35 177.14 1sgj s ASP 191 N 0.76 5.02 0.72 2.29 2.15 0.22 -2.33 116.67 125.49 1sgj s ASP 191 Ca -0.01 1.68 -0.16 0.00 0.43 0.00 0.00 52.55 54.50 1sgj s ASP 191 Cb -0.14 -2.49 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1sgj s ASP 191 CO 0.02 -1.68 0.83 2.30 -0.17 0.00 0.00 175.17 176.46 1sgj n ILE 192 N -3.29 2.43 -1.87 4.11 -5.35 -1.25 -1.63 119.36 112.51 1sgj n ILE 192 Ca 0.08 -0.38 -0.32 0.00 -0.27 0.00 0.00 62.75 61.87 1sgj n ILE 192 Cb 0.53 -0.98 0.02 0.00 -1.74 0.00 0.00 39.64 37.47 1sgj n ILE 192 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1sgj s VAL 193 N -1.86 4.20 -0.24 7.28 1.01 -1.26 -4.39 120.40 125.15 1sgj s VAL 193 Ca 0.71 0.84 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1sgj s VAL 193 Cb -0.35 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1sgj s VAL 193 CO 0.53 -0.82 -0.12 -0.69 0.00 0.00 0.00 175.10 174.00 1sgj s VAL 194 N -2.88 2.01 -0.53 2.92 1.01 -1.26 -5.00 120.40 116.68 1sgj s VAL 194 Ca 0.59 -1.40 0.24 0.00 0.00 0.00 0.00 61.98 61.41 1sgj s VAL 194 Cb -0.13 -2.08 0.32 0.00 0.00 0.00 0.00 36.38 34.49 1sgj s VAL 194 CO 0.47 0.08 1.67 0.71 0.00 0.00 0.00 175.10 178.04 1sgj h THR 195 N 6.58 0.00 -2.01 3.92 1.35 -2.00 -3.43 112.91 117.32 1sgj h THR 195 Ca -0.24 -0.81 -0.52 0.00 -0.55 0.00 0.00 66.41 64.29 1sgj h THR 195 Cb 1.07 1.80 -0.07 0.00 -1.73 0.00 0.00 68.15 69.23 1sgj h THR 195 CO 0.49 0.00 1.18 0.00 -0.25 0.00 0.00 175.52 176.93 1sgj s ALA 196 N -3.18 2.49 -2.39 6.62 0.00 -1.26 -4.85 121.76 119.19 1sgj s ALA 196 Ca 0.08 -1.24 0.28 0.00 0.00 0.00 0.00 51.96 51.08 1sgj s ALA 196 Cb 0.08 -4.32 1.14 0.00 0.00 0.00 0.00 23.12 20.01 1sgj s ALA 196 CO 0.64 -3.61 1.79 1.28 0.00 0.00 0.00 175.76 175.86 1sgj n LEU 197 N 10.69 1.28 -0.54 0.00 4.77 -1.26 -4.18 117.00 127.76 1sgj n LEU 197 Ca 0.14 -0.42 0.10 0.00 -0.03 0.00 0.00 56.01 55.80 1sgj n LEU 197 Cb 0.50 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1sgj n LEU 197 CO 0.70 0.22 0.35 -0.46 -1.33 0.00 0.00 177.39 176.87 1sgj n ASN 198 N -0.02 2.10 -3.67 -1.43 0.23 -1.26 -4.90 115.26 106.31 1sgj n ASN 198 Ca 0.19 -1.55 -0.25 0.00 -0.53 0.00 0.00 54.58 52.44 1sgj n ASN 198 Cb 0.32 0.38 -0.17 0.00 -2.08 0.00 0.00 39.78 38.24 1sgj n ASN 198 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 1sgj s ASP 199 N -2.21 2.30 0.47 0.53 3.84 -1.26 -4.99 116.67 115.35 1sgj s ASP 199 Ca 0.19 -0.54 0.15 0.00 -0.00 0.00 0.00 52.55 52.34 1sgj s ASP 199 Cb 0.17 -0.36 1.09 0.00 -1.38 0.00 0.00 42.92 42.44 1sgj s ASP 199 CO 0.47 -0.31 2.05 -0.65 -0.00 0.00 0.00 175.17 176.74 1sgj h PRO 200 N 8.36 0.03 -0.85 2.11 0.11 -1.90 -2.46 132.00 137.39 1sgj h PRO 200 Ca -0.16 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 1sgj h PRO 200 Cb 1.13 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1sgj h PRO 200 CO 0.29 0.12 0.46 1.49 -0.21 0.00 0.00 178.00 180.15 1sgj h GLU 201 N 0.03 1.19 -0.76 1.05 4.57 -1.98 0.32 114.58 119.00 1sgj h GLU 201 Ca 0.01 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 1sgj h GLU 201 Cb 0.19 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1sgj h GLU 201 CO 0.01 0.88 0.26 1.15 -1.18 0.00 0.00 179.01 180.13 1sgj h THR 202 N 1.19 1.26 -0.26 0.32 2.02 -1.82 -1.99 112.91 113.62 1sgj h THR 202 Ca 0.30 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 1sgj h THR 202 Cb 0.04 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1sgj h THR 202 CO -0.05 0.35 -0.11 0.15 0.37 0.00 0.00 175.52 176.24 1sgj h PHE 203 N 1.13 0.61 -0.61 3.16 3.57 -1.30 -2.61 116.94 120.88 1sgj h PHE 203 Ca 0.25 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1sgj h PHE 203 Cb 0.28 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1sgj h PHE 203 CO 0.02 0.78 0.35 0.00 -2.23 0.00 0.00 178.31 177.23 1sgj h ARG 204 N 0.28 0.65 -0.50 1.11 3.08 -0.18 0.10 114.38 118.92 1sgj h ARG 204 Ca 0.06 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1sgj h ARG 204 Cb 0.60 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1sgj h ARG 204 CO 0.03 0.43 0.03 0.00 -1.07 0.00 0.00 179.97 179.39 1sgj h ALA 205 N 1.30 1.12 -0.03 0.04 0.00 -1.35 -1.59 119.26 118.75 1sgj h ALA 205 Ca 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sgj h ALA 205 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1sgj h ALA 205 CO -0.15 0.57 -0.03 0.22 0.00 0.00 0.00 179.25 179.86 1sgj h ASP 206 N 0.77 0.09 -0.76 0.00 3.58 -1.00 -2.64 116.42 116.46 1sgj h ASP 206 Ca 0.15 -0.48 0.05 0.00 0.42 0.00 0.00 57.03 57.18 1sgj h ASP 206 Cb 0.42 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 1sgj h ASP 206 CO 0.01 0.54 0.50 0.00 -2.88 0.00 0.00 179.24 177.42 1sgj h ALA 207 N 0.55 1.62 -0.59 -0.78 0.00 -0.74 -1.67 119.26 117.66 1sgj h ALA 207 Ca 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1sgj h ALA 207 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1sgj h ALA 207 CO 0.01 0.28 0.18 1.49 0.00 0.00 0.00 179.25 181.20 1sgj h GLU 208 N 0.85 0.91 -0.59 0.00 4.81 -1.21 0.60 114.58 119.95 1sgj h GLU 208 Ca 0.32 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1sgj h GLU 208 Cb 0.17 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1sgj h GLU 208 CO -0.10 0.82 0.28 0.37 -0.73 0.00 0.00 179.01 179.65 1sgj h GLN 209 N 0.83 0.86 -0.66 1.92 5.75 -0.98 -1.01 115.11 121.82 1sgj h GLN 209 Ca 0.19 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 1sgj h GLN 209 Cb 0.30 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1sgj h GLN 209 CO -0.00 0.70 0.19 0.78 -2.65 0.00 0.00 178.83 177.84 1sgj h GLY 210 N 0.81 1.12 0.91 2.39 0.00 -1.01 -2.15 103.07 105.15 1sgj h GLY 210 Ca 0.20 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1sgj h GLY 210 CO -0.02 0.64 0.08 -0.09 0.00 0.00 0.00 176.54 177.14 1sgj h ARG 211 N 0.97 0.53 -0.18 4.80 9.65 -0.68 -2.27 114.38 127.21 1sgj h ARG 211 Ca 0.21 -0.13 0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1sgj h ARG 211 Cb 0.32 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1sgj h ARG 211 CO -0.00 0.59 0.12 0.00 2.80 0.00 0.00 179.97 183.48 1sgj h ALA 212 N 0.91 1.92 0.00 2.80 0.00 -1.00 -1.74 119.26 122.15 1sgj h ALA 212 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sgj h ALA 212 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sgj h ALA 212 CO 0.00 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1sgj n LEU 213 N -4.51 0.31 0.00 0.00 4.77 -0.82 -4.92 117.00 111.82 1sgj n LEU 213 Ca -0.00 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1sgj n LEU 213 Cb 0.10 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1sgj n LEU 213 CO 0.35 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1sgj n GLY 214 N 1.18 0.99 3.77 -0.72 0.00 -0.65 -4.81 105.19 104.95 1sgj n GLY 214 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1sgj n GLY 214 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sgj s TYR 215 N -2.00 3.26 -1.08 1.61 1.51 -0.89 -4.81 117.35 114.96 1sgj s TYR 215 Ca 0.00 1.63 0.21 0.00 -1.01 0.00 0.00 57.07 57.90 1sgj s TYR 215 Cb 0.00 -3.25 -0.15 0.00 -0.11 0.00 0.00 41.96 38.45 1sgj s TYR 215 CO 0.00 -0.84 0.96 -1.13 -1.11 0.00 0.00 175.55 173.43 1sgj n SER 216 N 0.23 1.03 -3.41 2.29 3.41 -0.20 -4.56 113.62 112.41 1sgj n SER 216 Ca 0.04 -0.98 -0.09 0.00 -0.26 0.00 0.00 58.87 57.58 1sgj n SER 216 Cb 0.48 0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 65.32 1sgj n SER 216 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sgj s GLY 217 N -2.96 0.32 -0.03 5.00 0.00 -1.15 -4.30 107.32 104.19 1sgj s GLY 217 Ca 0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 44.72 44.11 1sgj s GLY 217 CO 0.83 -0.32 0.09 1.25 0.00 0.00 0.00 173.10 174.95 1sgj s LYS 218 N -3.15 0.10 0.27 2.90 2.20 -0.75 0.71 119.74 122.02 1sgj s LYS 218 Ca 0.16 0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 1sgj s LYS 218 Cb -0.05 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.21 1sgj s LYS 218 CO 0.10 -0.02 1.21 -0.51 -0.36 0.00 0.00 175.35 175.76 1sgj s LEU 219 N 0.13 4.48 -0.02 5.43 1.43 -0.65 -2.71 118.68 126.78 1sgj s LEU 219 Ca -0.01 2.41 0.06 0.00 -1.03 0.00 0.00 54.13 55.57 1sgj s LEU 219 Cb -0.02 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 1sgj s LEU 219 CO -0.00 -0.35 -0.20 0.00 0.23 0.00 0.00 176.35 176.03 1sgj n ILE 221 N 2.65 0.20 -3.78 0.00 -5.35 -1.26 -2.31 119.36 109.50 1sgj n ILE 221 Ca -0.16 -0.60 -0.13 0.00 -0.27 0.00 0.00 62.75 61.60 1sgj n ILE 221 Cb 0.53 0.98 -0.12 0.00 -1.74 0.00 0.00 39.64 39.28 1sgj n ILE 221 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1sgj s HIS 222 N -0.50 -0.27 0.31 4.28 5.04 -1.26 -4.87 115.29 118.03 1sgj s HIS 222 Ca 0.06 0.65 0.08 0.00 -1.54 0.00 0.00 55.06 54.30 1sgj s HIS 222 Cb 0.04 0.07 0.87 0.00 0.04 0.00 0.00 32.58 33.59 1sgj s HIS 222 CO 0.06 -0.15 1.67 -1.35 -2.34 0.00 0.00 174.74 172.63 1sgj h PRO 223 N 6.23 0.32 0.00 2.88 0.11 -1.96 -0.48 132.00 139.10 1sgj h PRO 223 Ca -0.30 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1sgj h PRO 223 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sgj h PRO 223 CO 0.37 0.21 -0.00 0.00 -0.21 0.00 0.00 178.00 178.37 1sgj h ALA 224 N 1.78 1.79 0.00 -0.75 0.00 -1.99 -1.45 119.26 118.65 1sgj h ALA 224 Ca 0.63 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 1sgj h ALA 224 Cb 1.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1sgj h ALA 224 CO -0.59 0.01 -0.03 1.96 0.00 0.00 0.00 179.25 180.59 1sgj h GLN 225 N 0.00 0.00 0.26 0.00 4.20 -1.51 -3.25 115.11 114.81 1sgj h GLN 225 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1sgj h GLN 225 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1sgj h GLN 225 CO 0.00 0.03 -0.14 0.28 -0.67 0.00 0.00 178.83 178.34 1sgj h VAL 226 N 0.00 0.72 -0.53 -0.54 2.07 -1.36 0.41 116.25 117.01 1sgj h VAL 226 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1sgj h VAL 226 Cb 0.53 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1sgj h VAL 226 CO 0.00 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.78 1sgj h ALA 227 N 0.37 1.34 -0.28 1.67 0.00 -1.72 -2.05 119.26 118.59 1sgj h ALA 227 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1sgj h ALA 227 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1sgj h ALA 227 CO 0.05 0.49 0.11 -0.07 0.00 0.00 0.00 179.25 179.83 1sgj h LEU 228 N 0.76 0.38 -1.03 0.00 3.38 -1.55 -2.71 115.31 114.53 1sgj h LEU 228 Ca 0.18 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1sgj h LEU 228 Cb 0.19 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1sgj h LEU 228 CO -0.01 0.43 0.64 0.00 0.09 0.00 0.00 178.44 179.59 1sgj h ALA 229 N 0.96 1.45 0.00 1.53 0.00 -0.39 -0.91 119.26 121.91 1sgj h ALA 229 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sgj h ALA 229 Cb 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1sgj h ALA 229 CO -0.01 0.38 0.00 0.72 0.00 0.00 0.00 179.25 180.34 1sgj n HIS 230 N -4.52 0.07 0.83 0.00 8.25 -0.82 -1.30 115.22 117.71 1sgj n HIS 230 Ca 0.16 0.02 0.13 0.00 -0.26 0.00 0.00 57.72 57.78 1sgj n HIS 230 Cb 0.23 -0.54 0.42 0.00 1.12 0.00 0.00 29.99 31.21 1sgj n HIS 230 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1sgj n GLU 231 N -1.56 0.12 0.00 -0.41 1.02 -0.35 -4.29 120.64 115.17 1sgj n GLU 231 Ca 0.04 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1sgj n GLU 231 Cb 0.19 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1sgj n GLU 231 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1sgj n TYR 232 N -1.81 0.00 -4.27 -0.32 4.02 -0.57 -5.07 117.16 109.14 1sgj n TYR 232 Ca 0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.67 1sgj n TYR 232 Cb 0.38 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.60 1sgj n TYR 232 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1sgj s PHE 233 N -1.96 2.66 0.00 -0.72 0.08 -0.42 -4.92 117.98 112.70 1sgj s PHE 233 Ca 0.00 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.85 1sgj s PHE 233 Cb 0.00 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 1sgj s PHE 233 CO 0.00 0.47 0.00 0.41 -0.10 0.00 0.00 175.22 176.00