#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3s s TYR 3 N 0.00 3.40 0.01 1.08 1.51 -1.26 -4.94 117.35 117.15 2b3s s TYR 3 Ca 0.00 1.35 -0.02 0.00 -1.01 0.00 0.00 57.07 57.39 2b3s s TYR 3 Cb 0.00 -3.11 -0.01 0.00 -0.11 0.00 0.00 41.96 38.73 2b3s s TYR 3 CO 0.00 -0.32 0.02 -1.21 -1.11 0.00 0.00 175.55 172.93 2b3s s GLU 4 N 2.49 0.27 0.26 -0.62 2.02 -1.26 -5.05 118.70 116.81 2b3s s GLU 4 Ca 0.41 -0.38 -0.31 0.00 0.02 0.00 0.00 54.97 54.71 2b3s s GLU 4 Cb -0.16 0.10 -0.12 0.00 0.10 0.00 0.00 34.13 34.05 2b3s s GLU 4 CO 0.11 -0.05 1.63 -3.47 0.02 0.00 0.00 175.26 173.50 2b3s n ASP 5 N 1.97 3.85 0.00 -0.19 2.03 -1.26 -1.97 116.55 120.98 2b3s n ASP 5 Ca -0.20 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.22 2b3s n ASP 5 Cb 0.56 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2b3s n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b3s n GLY 6 N 2.77 3.00 0.00 0.27 0.00 0.15 -4.92 105.19 106.46 2b3s n GLY 6 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2b3s n GLY 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b3s n LYS 7 N 0.00 0.00 0.14 1.61 4.81 -0.83 -4.70 118.16 119.19 2b3s n LYS 7 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 2b3s n LYS 7 Cb 0.00 -0.14 0.47 0.00 0.02 0.00 0.00 35.03 35.38 2b3s n LYS 7 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2b3s h GLN 8 N 0.00 0.00 -2.81 1.64 7.50 -1.73 -3.18 115.11 116.53 2b3s h GLN 8 Ca 0.00 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.17 2b3s h GLN 8 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.41 2b3s h GLN 8 CO 0.00 0.00 0.29 1.52 -1.50 0.00 0.00 178.83 179.14 2b3s s TYR 9 N -3.28 -0.46 0.24 2.96 1.13 -1.26 -1.15 117.35 115.54 2b3s s TYR 9 Ca 0.06 0.24 0.10 0.00 -1.41 0.00 0.00 57.07 56.06 2b3s s TYR 9 Cb 0.10 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.48 2b3s s TYR 9 CO 0.49 -0.81 -0.16 0.95 -2.51 0.00 0.00 175.55 173.50 2b3s s THR 10 N -3.60 2.06 -0.17 -3.49 -4.23 0.13 0.29 115.64 106.64 2b3s s THR 10 Ca 0.03 -2.30 -0.04 0.00 -1.18 0.00 0.00 61.69 58.21 2b3s s THR 10 Cb -0.01 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 2b3s s THR 10 CO -0.10 -0.50 -0.03 -0.89 -0.54 0.00 0.00 174.62 172.56 2b3s s THR 11 N -2.77 3.88 0.36 3.99 2.01 -1.26 -0.29 115.64 121.57 2b3s s THR 11 Ca 0.26 -0.35 -0.27 0.00 0.31 0.00 0.00 61.69 61.63 2b3s s THR 11 Cb -0.02 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.68 2b3s s THR 11 CO 0.11 0.48 1.26 -0.76 -0.69 0.00 0.00 174.62 175.01 2b3s s LEU 12 N 0.54 4.33 0.12 4.42 1.43 0.67 -4.92 118.68 125.27 2b3s s LEU 12 Ca -0.03 2.57 -0.07 0.00 -1.03 0.00 0.00 54.13 55.58 2b3s s LEU 12 Cb -0.14 -3.80 -0.12 0.00 0.03 0.00 0.00 46.19 42.16 2b3s s LEU 12 CO 0.03 -0.62 1.29 -0.33 0.23 0.00 0.00 176.35 176.94 2b3s h GLU 13 N 3.06 0.50 -4.60 1.70 5.08 -1.96 -3.36 114.58 115.00 2b3s h GLU 13 Ca -0.49 -0.52 -0.67 0.00 -1.00 0.00 0.00 59.36 56.68 2b3s h GLU 13 Cb 1.23 0.14 -0.39 0.00 0.50 0.00 0.00 28.75 30.24 2b3s h GLU 13 CO 0.64 1.16 -0.67 0.15 -1.00 0.00 0.00 179.01 179.29 2b3s s LYS 14 N -3.33 1.64 0.61 2.33 1.02 -1.26 -5.11 119.74 115.63 2b3s s LYS 14 Ca -0.07 -1.89 -0.18 0.00 0.02 0.00 0.00 55.97 53.85 2b3s s LYS 14 Cb 0.08 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 2b3s s LYS 14 CO 0.88 -0.98 1.04 -2.30 -0.92 0.00 0.00 175.35 173.07 2b3s n PRO 15 N 4.31 0.96 -3.47 -1.68 -0.02 -1.26 -4.97 135.00 128.87 2b3s n PRO 15 Ca 0.02 0.37 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 2b3s n PRO 15 Cb 0.42 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 2b3s n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2b3s s VAL 16 N -1.48 5.23 0.31 -1.45 1.01 0.01 -5.02 120.40 119.01 2b3s s VAL 16 Ca 0.77 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.51 2b3s s VAL 16 Cb -0.41 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 2b3s s VAL 16 CO 0.46 0.02 1.03 0.00 0.00 0.00 0.00 175.10 176.60 2b3s s ALA 17 N 1.88 3.28 0.00 5.51 0.00 -1.26 -3.78 121.76 127.40 2b3s s ALA 17 Ca 0.09 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2b3s s ALA 17 Cb -0.17 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2b3s s ALA 17 CO 0.11 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.24 2b3s n GLY 18 N 0.94 0.69 3.78 0.00 0.00 -1.26 -5.03 105.19 104.31 2b3s n GLY 18 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2b3s n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3s s ALA 19 N -2.72 2.61 0.83 4.61 0.00 -1.25 -5.00 121.76 120.84 2b3s s ALA 19 Ca 0.00 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 2b3s s ALA 19 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 2b3s s ALA 19 CO 0.00 -1.01 0.73 -2.30 0.00 0.00 0.00 175.76 173.18 2b3s n PRO 20 N -2.08 0.04 -0.13 0.00 -0.02 -1.26 -4.69 135.00 126.86 2b3s n PRO 20 Ca 0.10 0.07 -0.09 0.00 -2.02 0.00 0.00 63.50 61.56 2b3s n PRO 20 Cb 0.52 -2.05 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 2b3s n PRO 20 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2b3s h GLN 21 N -0.99 0.89 -3.27 -0.52 4.15 -1.91 -3.28 115.11 110.19 2b3s h GLN 21 Ca -0.45 -0.35 -0.44 0.00 0.77 0.00 0.00 58.65 58.17 2b3s h GLN 21 Cb 1.31 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 28.56 2b3s h GLN 21 CO 0.41 1.00 -0.75 0.08 -1.93 0.00 0.00 178.83 177.64 2b3s s VAL 22 N -4.68 0.05 -0.17 2.39 1.01 -1.24 -0.93 120.40 116.84 2b3s s VAL 22 Ca -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2b3s s VAL 22 Cb 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 36.01 2b3s s VAL 22 CO 0.85 -0.08 -0.18 -0.22 0.00 0.00 0.00 175.10 175.46 2b3s s LEU 23 N 2.09 2.00 -0.07 3.92 2.96 0.78 -0.33 118.68 130.03 2b3s s LEU 23 Ca 0.03 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2b3s s LEU 23 Cb -0.15 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 2b3s s LEU 23 CO -0.07 -0.01 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.18 2b3s s GLU 24 N 1.31 2.80 0.04 1.98 2.12 0.11 0.23 118.70 127.29 2b3s s GLU 24 Ca 0.04 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.85 2b3s s GLU 24 Cb -0.13 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 2b3s s GLU 24 CO -0.12 0.62 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.11 2b3s s PHE 25 N -0.70 2.90 0.13 5.30 0.40 -0.07 0.08 117.98 126.01 2b3s s PHE 25 Ca 0.11 -0.05 -0.16 0.00 -0.60 0.00 0.00 56.93 56.23 2b3s s PHE 25 Cb -0.11 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.88 2b3s s PHE 25 CO 0.02 0.41 0.41 -0.59 0.70 0.00 0.00 175.22 176.16 2b3s s PHE 26 N -1.10 -0.18 0.02 0.36 -0.12 -0.46 -2.78 117.98 113.73 2b3s s PHE 26 Ca 0.19 -0.15 0.04 0.00 -0.05 0.00 0.00 56.93 56.97 2b3s s PHE 26 Cb -0.11 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.53 2b3s s PHE 26 CO 0.11 -0.73 -0.12 0.45 -0.05 0.00 0.00 175.22 174.88 2b3s s SER 27 N -2.82 1.42 0.15 1.98 0.15 -1.26 -0.58 113.70 112.75 2b3s s SER 27 Ca 0.04 -0.36 0.20 0.00 0.70 0.00 0.00 55.95 56.53 2b3s s SER 27 Cb 0.02 -0.11 0.83 0.00 -1.71 0.00 0.00 66.02 65.05 2b3s s SER 27 CO -0.11 0.05 1.61 0.49 1.20 0.00 0.00 173.24 176.48 2b3s n PHE 28 N 2.24 0.48 0.08 3.44 3.01 -1.26 -3.21 117.46 122.24 2b3s n PHE 28 Ca -0.17 0.19 0.12 0.00 1.01 0.00 0.00 57.45 58.60 2b3s n PHE 28 Cb 0.55 -0.81 0.25 0.00 -0.01 0.00 0.00 39.48 39.47 2b3s n PHE 28 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2b3s n PHE 29 N -1.94 0.67 -4.44 1.38 3.01 -1.26 -4.80 117.46 110.08 2b3s n PHE 29 Ca 0.03 -0.33 -0.33 0.00 1.01 0.00 0.00 57.45 57.82 2b3s n PHE 29 Cb 0.20 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.52 2b3s n PHE 29 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2b3s n GLY 31 N 4.22 2.24 3.73 0.00 0.00 -1.26 -4.69 105.19 109.43 2b3s n GLY 31 Ca -0.20 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 2b3s n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b3s s HIS 32 N -2.60 2.19 0.23 1.61 3.76 -1.26 -4.76 115.29 114.46 2b3s s HIS 32 Ca 0.00 1.59 -0.06 0.00 -0.15 0.00 0.00 55.06 56.44 2b3s s HIS 32 Cb 0.00 -3.41 0.36 0.00 1.11 0.00 0.00 32.58 30.65 2b3s s HIS 32 CO 0.00 -2.39 1.78 0.00 -0.85 0.00 0.00 174.74 173.28 2b3s h ALA 33 N -0.16 1.03 -0.01 -1.40 0.00 -1.97 0.81 119.26 117.56 2b3s h ALA 33 Ca -0.48 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2b3s h ALA 33 Cb 1.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2b3s h ALA 33 CO 0.51 -0.03 -0.26 0.10 0.00 0.00 0.00 179.25 179.57 2b3s h TYR 34 N 0.62 0.01 -0.11 0.00 -0.00 -1.99 -0.45 116.97 115.06 2b3s h TYR 34 Ca 0.37 -0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 59.02 2b3s h TYR 34 Cb 0.40 -0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.12 2b3s h TYR 34 CO -0.10 0.27 -0.24 1.96 -0.00 0.00 0.00 178.16 180.05 2b3s h GLN 35 N 0.01 0.36 -0.48 0.10 4.20 -1.48 -1.48 115.11 116.33 2b3s h GLN 35 Ca -0.00 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.54 2b3s h GLN 35 Cb 0.46 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 2b3s h GLN 35 CO 0.03 0.84 0.17 0.35 -0.67 0.00 0.00 178.83 179.55 2b3s h PHE 36 N -0.08 0.30 -0.11 2.96 3.57 -0.60 -1.93 116.94 121.05 2b3s h PHE 36 Ca 0.00 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 2b3s h PHE 36 Cb 0.84 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2b3s h PHE 36 CO 0.11 0.10 -0.29 0.93 -2.23 0.00 0.00 178.31 176.93 2b3s h GLU 37 N 0.34 0.21 -0.31 1.11 5.08 -1.07 -1.62 114.58 118.32 2b3s h GLU 37 Ca 0.23 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2b3s h GLU 37 Cb 0.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2b3s h GLU 37 CO -0.24 0.48 0.19 0.93 -1.00 0.00 0.00 179.01 179.37 2b3s h GLU 38 N 0.19 0.41 -0.85 2.33 5.08 -0.69 -1.46 114.58 119.59 2b3s h GLU 38 Ca 0.03 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2b3s h GLU 38 Cb 0.61 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2b3s h GLU 38 CO 0.04 0.30 0.55 0.28 -1.00 0.00 0.00 179.01 179.19 2b3s h VAL 39 N 0.40 1.16 -0.44 3.13 2.07 -1.00 -1.64 116.25 119.92 2b3s h VAL 39 Ca 0.11 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2b3s h VAL 39 Cb -0.01 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 2b3s h VAL 39 CO -0.02 0.20 0.29 -0.07 0.02 0.00 0.00 177.57 177.99 2b3s h LEU 40 N 1.08 0.51 -0.75 2.57 4.07 -1.08 -1.28 115.31 120.44 2b3s h LEU 40 Ca 0.33 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.34 2b3s h LEU 40 Cb -0.03 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.52 2b3s h LEU 40 CO -0.10 0.37 0.44 -0.74 -1.08 0.00 0.00 178.44 177.32 2b3s h HIS 41 N 0.60 0.80 -0.39 1.13 -0.00 -0.43 -0.38 115.15 116.49 2b3s h HIS 41 Ca 0.16 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.48 2b3s h HIS 41 Cb -0.07 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 2b3s h HIS 41 CO -0.05 0.38 -0.05 0.82 -0.00 0.00 0.00 177.93 179.03 2b3s h ILE 42 N 0.79 1.27 -0.57 6.26 2.04 -1.14 -1.10 117.51 125.06 2b3s h ILE 42 Ca 0.34 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 2b3s h ILE 42 Cb 0.21 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2b3s h ILE 42 CO -0.19 0.37 0.20 -1.28 0.00 0.00 0.00 178.15 177.25 2b3s h SER 43 N 0.53 0.81 0.00 1.72 0.87 -0.85 -0.04 113.55 116.60 2b3s h SER 43 Ca 0.10 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 2b3s h SER 43 Cb 0.55 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2b3s h SER 43 CO 0.03 0.78 -0.30 0.44 -0.53 0.00 0.00 176.83 177.26 2b3s h ASP 44 N 0.79 0.44 0.62 6.23 3.32 -0.94 -1.74 116.42 125.14 2b3s h ASP 44 Ca 0.19 -0.16 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 2b3s h ASP 44 Cb 0.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2b3s h ASP 44 CO -0.01 0.72 -0.75 0.78 -1.72 0.00 0.00 179.24 178.26 2b3s h ASN 45 N 0.38 0.13 -0.41 6.45 -0.26 -0.90 -1.74 115.58 119.23 2b3s h ASN 45 Ca 0.05 -0.09 -0.06 0.00 -0.56 0.00 0.00 56.30 55.64 2b3s h ASN 45 Cb 0.71 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.92 2b3s h ASN 45 CO 0.05 0.83 0.03 0.58 -1.06 0.00 0.00 177.43 177.87 2b3s h VAL 46 N 0.07 1.25 0.07 2.81 2.07 -0.87 -2.59 116.25 119.06 2b3s h VAL 46 Ca -0.02 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.57 2b3s h VAL 46 Cb 1.32 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 2b3s h VAL 46 CO 0.11 0.33 -0.35 0.11 0.02 0.00 0.00 177.57 177.78 2b3s h LYS 47 N 0.55 -0.53 -1.00 1.57 1.57 -1.21 -2.00 116.57 115.52 2b3s h LYS 47 Ca 0.12 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.13 2b3s h LYS 47 Cb 0.43 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 2b3s h LYS 47 CO 0.02 -0.35 0.61 0.87 -0.57 0.00 0.00 179.45 180.02 2b3s h LYS 48 N -0.55 0.72 -0.04 3.15 1.57 -1.29 -2.66 116.57 117.47 2b3s h LYS 48 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b3s h LYS 48 Cb 0.61 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2b3s h LYS 48 CO -0.24 0.48 0.00 1.63 -0.57 0.00 0.00 179.45 180.74 2b3s n LYS 49 N -4.75 2.22 -0.81 3.15 5.02 -0.98 -4.95 118.16 117.05 2b3s n LYS 49 Ca 0.23 -1.77 -0.31 0.00 -2.02 0.00 0.00 58.31 54.45 2b3s n LYS 49 Cb 0.59 -1.46 0.15 0.00 -0.02 0.00 0.00 35.03 34.29 2b3s n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2b3s s LEU 50 N -1.98 2.84 0.31 -0.35 1.43 -0.77 -4.98 118.68 115.17 2b3s s LEU 50 Ca 0.30 2.10 -0.25 0.00 -1.03 0.00 0.00 54.13 55.25 2b3s s LEU 50 Cb 0.20 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.80 2b3s s LEU 50 CO 0.31 -2.90 0.91 -2.16 0.23 0.00 0.00 176.35 172.73 2b3s s PRO 51 N -4.70 4.51 0.06 1.29 0.05 -1.26 -4.96 135.00 129.99 2b3s s PRO 51 Ca 0.66 1.24 -0.37 0.00 0.05 0.00 0.00 61.00 62.58 2b3s s PRO 51 Cb -0.22 -2.78 -0.17 0.00 0.05 0.00 0.00 34.50 31.39 2b3s s PRO 51 CO 0.58 0.28 1.35 -1.91 0.05 0.00 0.00 177.00 177.35 2b3s n GLU 52 N 0.52 1.10 0.00 4.56 4.07 -1.26 -1.29 120.64 128.34 2b3s n GLU 52 Ca 0.02 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 2b3s n GLU 52 Cb 0.50 -2.04 0.00 0.00 -0.06 0.00 0.00 31.44 29.85 2b3s n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2b3s n GLY 53 N 2.56 3.08 3.66 8.31 0.00 -1.26 -5.03 105.19 116.50 2b3s n GLY 53 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2b3s n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b3s s VAL 54 N -2.95 4.40 0.10 1.61 1.01 -0.41 -5.01 120.40 119.15 2b3s s VAL 54 Ca 0.00 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.63 2b3s s VAL 54 Cb 0.00 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2b3s s VAL 54 CO 0.00 -0.14 0.31 -0.54 0.00 0.00 0.00 175.10 174.73 2b3s s LYS 55 N 3.33 3.56 -0.14 2.72 1.02 -1.26 -4.82 119.74 124.14 2b3s s LYS 55 Ca 0.52 -0.19 -0.03 0.00 0.02 0.00 0.00 55.97 56.29 2b3s s LYS 55 Cb -0.20 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2b3s s LYS 55 CO 0.13 0.53 -0.05 1.41 -0.92 0.00 0.00 175.35 176.45 2b3s s MET 56 N -2.49 3.56 -0.08 1.68 1.75 -1.26 -3.62 119.30 118.83 2b3s s MET 56 Ca 0.37 -0.55 0.04 0.00 -1.25 0.00 0.00 55.69 54.30 2b3s s MET 56 Cb -0.13 -2.84 -0.01 0.00 2.84 0.00 0.00 34.83 34.69 2b3s s MET 56 CO 0.25 0.27 -0.20 0.99 -0.65 0.00 0.00 175.02 175.68 2b3s s THR 57 N 0.26 2.51 -0.10 10.11 2.01 0.56 -5.03 115.64 125.97 2b3s s THR 57 Ca -0.04 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2b3s s THR 57 Cb -0.14 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.40 2b3s s THR 57 CO 0.03 0.56 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.62 2b3s s LYS 58 N -0.05 2.18 0.06 4.92 2.20 -1.26 0.09 119.74 127.88 2b3s s LYS 58 Ca -0.05 -0.56 0.09 0.00 -0.36 0.00 0.00 55.97 55.09 2b3s s LYS 58 Cb -0.14 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.33 2b3s s LYS 58 CO 0.04 -0.01 -0.22 0.71 -0.36 0.00 0.00 175.35 175.51 2b3s s TYR 59 N 0.83 2.43 0.22 4.03 2.02 0.11 -4.96 117.35 122.04 2b3s s TYR 59 Ca -0.10 -0.33 -0.08 0.00 -0.37 0.00 0.00 57.07 56.19 2b3s s TYR 59 Cb -0.16 -1.40 -0.06 0.00 -0.40 0.00 0.00 41.96 39.94 2b3s s TYR 59 CO 0.01 0.23 0.52 -1.58 -1.57 0.00 0.00 175.55 173.16 2b3s s HIS 60 N -0.92 3.44 -0.05 2.71 5.65 -1.26 -1.36 115.29 123.51 2b3s s HIS 60 Ca 0.14 0.76 0.03 0.00 0.25 0.00 0.00 55.06 56.25 2b3s s HIS 60 Cb -0.10 -2.18 0.00 0.00 -1.18 0.00 0.00 32.58 29.12 2b3s s HIS 60 CO 0.05 0.28 -0.15 0.08 -0.65 0.00 0.00 174.74 174.35 2b3s s VAL 61 N -1.84 1.28 0.12 0.89 1.01 0.26 -4.81 120.40 117.32 2b3s s VAL 61 Ca 0.45 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 2b3s s VAL 61 Cb -0.11 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2b3s s VAL 61 CO 0.24 0.38 1.62 -1.13 0.00 0.00 0.00 175.10 176.21 2b3s h ASN 62 N 6.48 0.57 0.00 3.32 -0.73 -1.89 -3.41 115.58 119.93 2b3s h ASN 62 Ca -0.32 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 57.62 2b3s h ASN 62 Cb 1.18 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.62 2b3s h ASN 62 CO 0.48 0.65 0.00 0.33 -0.37 0.00 0.00 177.43 178.52 2b3s n PHE 63 N -4.59 0.00 -0.11 0.67 -0.00 -1.26 -4.31 117.46 107.87 2b3s n PHE 63 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.51 2b3s n PHE 63 Cb 0.20 0.00 0.17 0.00 -0.00 0.00 0.00 39.48 39.85 2b3s n PHE 63 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 2b3s n MET 64 N 0.00 2.58 -0.92 -4.13 2.81 -1.26 -5.02 117.12 111.17 2b3s n MET 64 Ca 0.00 -2.06 0.00 0.00 -1.81 0.00 0.00 57.70 53.83 2b3s n MET 64 Cb 0.00 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 2b3s n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2b3s n GLY 65 N 0.75 0.80 3.66 3.03 0.00 -1.26 -5.02 105.19 107.15 2b3s n GLY 65 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2b3s n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b3s s GLY 66 N -2.00 1.56 0.29 -0.02 0.00 -1.26 -4.89 107.32 101.00 2b3s s GLY 66 Ca 0.00 -0.49 0.15 0.00 0.00 0.00 0.00 44.72 44.38 2b3s s GLY 66 CO 0.00 0.18 1.56 -0.55 0.00 0.00 0.00 173.10 174.28 2b3s h ASP 67 N -2.02 0.00 -0.38 1.64 3.32 -1.99 -2.51 116.42 114.48 2b3s h ASP 67 Ca -0.53 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 2b3s h ASP 67 Cb 1.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 2b3s h ASP 67 CO 0.54 0.54 0.16 0.25 -1.72 0.00 0.00 179.24 179.01 2b3s h LEU 68 N 0.00 0.51 -0.70 1.55 5.85 -1.93 -0.93 115.31 119.66 2b3s h LEU 68 Ca -0.01 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2b3s h LEU 68 Cb 1.21 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2b3s h LEU 68 CO 0.07 0.52 0.45 1.23 -0.34 0.00 0.00 178.44 180.37 2b3s h GLY 69 N 0.47 1.00 0.93 3.75 0.00 -1.83 -1.58 103.07 105.81 2b3s h GLY 69 Ca 0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2b3s h GLY 69 CO -0.01 0.38 0.13 1.70 0.00 0.00 0.00 176.54 178.74 2b3s h LYS 70 N 0.96 0.42 -0.57 4.80 3.64 -1.31 -1.92 116.57 122.58 2b3s h LYS 70 Ca 0.26 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2b3s h LYS 70 Cb -0.08 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 2b3s h LYS 70 CO -0.05 0.42 0.13 -0.44 -2.27 0.00 0.00 179.45 177.23 2b3s h ASP 71 N 0.33 0.84 -0.33 4.20 3.32 -0.99 -0.91 116.42 122.88 2b3s h ASP 71 Ca 0.10 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 2b3s h ASP 71 Cb 0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2b3s h ASP 71 CO -0.01 0.82 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.26 2b3s h LEU 72 N 0.86 0.66 -0.64 1.55 3.38 -1.20 0.53 115.31 120.44 2b3s h LEU 72 Ca 0.18 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2b3s h LEU 72 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2b3s h LEU 72 CO 0.00 0.73 -0.25 0.74 0.09 0.00 0.00 178.44 179.75 2b3s h THR 73 N 0.65 1.27 -0.46 0.22 2.02 -0.95 0.27 112.91 115.94 2b3s h THR 73 Ca 0.13 -1.37 -0.14 0.00 0.77 0.00 0.00 66.41 65.80 2b3s h THR 73 Cb 0.41 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2b3s h THR 73 CO 0.02 0.46 -0.24 -0.61 0.37 0.00 0.00 175.52 175.51 2b3s h GLN 74 N 0.69 0.97 -0.09 6.66 4.15 -0.83 -2.15 115.11 124.51 2b3s h GLN 74 Ca 0.09 -0.43 -0.04 0.00 0.77 0.00 0.00 58.65 59.04 2b3s h GLN 74 Cb 0.77 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2b3s h GLN 74 CO 0.06 1.10 -0.13 0.00 -1.93 0.00 0.00 178.83 177.93 2b3s h ALA 75 N 0.88 1.62 -0.49 3.38 0.00 0.38 -1.50 119.26 123.52 2b3s h ALA 75 Ca 0.10 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2b3s h ALA 75 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2b3s h ALA 75 CO 0.07 0.28 -0.21 2.35 0.00 0.00 0.00 179.25 181.74 2b3s h TRP 76 N 0.13 1.15 -0.24 0.00 2.91 -0.31 -1.60 115.95 117.98 2b3s h TRP 76 Ca 0.03 -0.28 -0.05 0.00 1.13 0.00 0.00 58.89 59.72 2b3s h TRP 76 Cb 0.32 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 2b3s h TRP 76 CO 0.00 1.11 -0.07 0.00 -1.03 0.00 0.00 178.44 178.45 2b3s h ALA 77 N 0.87 1.43 -0.62 2.65 0.00 -0.73 -1.16 119.26 121.69 2b3s h ALA 77 Ca 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2b3s h ALA 77 Cb 0.79 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2b3s h ALA 77 CO 0.07 0.40 0.27 0.28 0.00 0.00 0.00 179.25 180.27 2b3s h VAL 78 N 0.36 1.22 -0.65 0.00 2.07 -1.10 0.13 116.25 118.29 2b3s h VAL 78 Ca 0.08 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 2b3s h VAL 78 Cb 0.36 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2b3s h VAL 78 CO 0.02 0.27 0.14 0.00 0.02 0.00 0.00 177.57 178.02 2b3s h ALA 79 N 1.11 1.03 -0.44 1.67 0.00 -0.66 -0.62 119.26 121.35 2b3s h ALA 79 Ca 0.21 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2b3s h ALA 79 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2b3s h ALA 79 CO -0.02 0.63 -0.22 0.52 0.00 0.00 0.00 179.25 180.16 2b3s h MET 80 N 0.98 0.92 -0.88 0.00 2.86 -1.08 0.55 114.93 118.28 2b3s h MET 80 Ca 0.20 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2b3s h MET 80 Cb 0.37 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 2b3s h MET 80 CO 0.00 1.06 0.47 0.00 1.06 0.00 0.00 176.91 179.51 2b3s h ALA 81 N 0.83 1.17 -0.03 6.32 0.00 -0.45 -3.10 119.26 124.00 2b3s h ALA 81 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2b3s h ALA 81 Cb 0.79 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2b3s h ALA 81 CO 0.07 0.66 -0.04 1.28 0.00 0.00 0.00 179.25 181.22 2b3s n LEU 82 N -4.33 2.81 -2.52 0.00 4.77 -0.27 -4.97 117.00 112.50 2b3s n LEU 82 Ca 0.09 -0.94 -0.17 0.00 -0.03 0.00 0.00 56.01 54.96 2b3s n LEU 82 Cb 0.11 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2b3s n LEU 82 CO 0.39 0.47 0.12 0.61 -1.33 0.00 0.00 177.39 177.65 2b3s n GLY 83 N 1.34 -0.12 0.11 -0.72 0.00 0.06 -4.92 105.19 100.94 2b3s n GLY 83 Ca 0.14 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.20 2b3s n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2b3s n VAL 84 N -4.23 1.91 -0.22 1.61 0.24 -0.44 -4.78 118.33 112.42 2b3s n VAL 84 Ca -0.02 -2.29 -0.06 0.00 -2.04 0.00 0.00 64.34 59.93 2b3s n VAL 84 Cb 0.56 -0.24 -0.01 0.00 -1.47 0.00 0.00 33.84 32.68 2b3s n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2b3s h GLU 85 N 0.08 -0.17 0.00 7.34 3.07 -1.92 -1.14 114.58 121.86 2b3s h GLU 85 Ca 0.00 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 2b3s h GLU 85 Cb 1.01 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 2b3s h GLU 85 CO 0.01 -0.11 -0.17 -0.44 -1.40 0.00 0.00 179.01 176.89 2b3s h ASP 86 N -0.17 0.00 1.46 1.42 3.32 -1.95 -0.48 116.42 120.01 2b3s h ASP 86 Ca 0.22 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 2b3s h ASP 86 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2b3s h ASP 86 CO -0.71 0.17 -0.27 0.11 -1.72 0.00 0.00 179.24 176.82 2b3s h LYS 87 N 0.00 0.00 0.00 3.56 1.57 -1.60 -3.40 116.57 116.70 2b3s h LYS 87 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b3s h LYS 87 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2b3s h LYS 87 CO 0.02 0.27 -0.65 1.33 -0.57 0.00 0.00 179.45 179.85 2b3s n VAL 88 N -3.23 0.00 0.25 0.50 0.24 -0.73 -4.64 118.33 110.73 2b3s n VAL 88 Ca 0.02 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.34 61.92 2b3s n VAL 88 Cb 0.58 0.71 -0.08 0.00 -1.47 0.00 0.00 33.84 33.58 2b3s n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2b3s h THR 89 N 0.00 0.35 0.02 3.34 2.02 -1.34 0.13 112.91 117.43 2b3s h THR 89 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2b3s h THR 89 Cb 0.11 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2b3s h THR 89 CO 0.00 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.46 2b3s h VAL 90 N -0.73 1.20 -0.70 3.16 2.07 -1.85 -2.02 116.25 117.38 2b3s h VAL 90 Ca -0.04 -0.70 0.15 0.00 0.82 0.00 0.00 66.70 66.94 2b3s h VAL 90 Cb 0.62 1.67 -0.12 0.00 -1.52 0.00 0.00 31.29 31.95 2b3s h VAL 90 CO 0.01 0.18 0.01 -0.65 0.02 0.00 0.00 177.57 177.14 2b3s h PRO 91 N -0.33 0.11 0.03 1.57 0.11 -1.81 0.34 132.00 132.02 2b3s h PRO 91 Ca -0.00 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.12 2b3s h PRO 91 Cb 0.31 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2b3s h PRO 91 CO 0.00 0.08 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.68 2b3s h LEU 92 N 0.12 -0.34 -0.61 2.35 3.38 -0.48 0.71 115.31 120.43 2b3s h LEU 92 Ca 0.37 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.25 2b3s h LEU 92 Cb 0.64 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2b3s h LEU 92 CO -0.60 -0.17 -0.50 2.19 0.09 0.00 0.00 178.44 179.45 2b3s h PHE 93 N -0.22 0.61 -0.69 1.13 -5.15 -0.69 0.06 116.94 111.99 2b3s h PHE 93 Ca 0.04 -0.20 0.02 0.00 -0.20 0.00 0.00 57.97 57.63 2b3s h PHE 93 Cb 0.26 -0.12 -0.04 0.00 0.22 0.00 0.00 35.95 36.27 2b3s h PHE 93 CO -0.17 0.90 0.44 0.93 -2.00 0.00 0.00 178.31 178.40 2b3s h GLU 94 N 0.39 0.84 -0.74 6.09 5.08 -0.04 4.86 114.58 131.05 2b3s h GLU 94 Ca 0.02 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2b3s h GLU 94 Cb 1.02 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2b3s h GLU 94 CO 0.09 0.56 0.43 0.78 -1.00 0.00 0.00 179.01 179.87 2b3s h GLY 95 N 0.86 1.11 0.14 -3.84 0.00 0.11 0.59 103.07 102.04 2b3s h GLY 95 Ca 0.27 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2b3s h GLY 95 CO -0.09 0.18 -0.18 -2.08 0.00 0.00 0.00 176.54 174.37 2b3s h VAL 96 N 0.78 1.74 0.00 4.60 2.07 -0.11 0.25 116.25 125.56 2b3s h VAL 96 Ca 0.33 -2.39 -0.12 0.00 0.82 0.00 0.00 66.70 65.34 2b3s h VAL 96 Cb 0.21 3.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 2b3s h VAL 96 CO -0.19 0.63 -0.97 0.00 0.02 0.00 0.00 177.57 177.06 2b3s n GLN 97 N -4.51 0.51 0.00 1.57 6.02 1.58 -4.28 117.38 118.27 2b3s n GLN 97 Ca -0.11 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 2b3s n GLN 97 Cb 0.55 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.12 2b3s n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2b3s n LYS 98 N -4.51 0.00 0.01 -1.09 5.02 0.16 -4.38 118.16 113.38 2b3s n LYS 98 Ca -0.21 0.25 0.13 0.00 -2.02 0.00 0.00 58.31 56.47 2b3s n LYS 98 Cb 0.49 -0.73 0.58 0.00 -0.02 0.00 0.00 35.03 35.35 2b3s n LYS 98 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2b3s n THR 99 N -1.43 0.14 -1.93 -0.18 -2.24 0.12 -4.92 114.28 103.83 2b3s n THR 99 Ca 0.00 -0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 2b3s n THR 99 Cb 0.00 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 67.64 2b3s n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b3s n GLN 100 N -1.58 -1.64 0.12 -0.78 6.02 -0.92 -4.85 117.38 113.75 2b3s n GLN 100 Ca 0.07 0.90 -0.02 0.00 -0.01 0.00 0.00 57.00 57.93 2b3s n GLN 100 Cb 0.34 -5.36 0.16 0.00 1.02 0.00 0.00 30.24 26.39 2b3s n GLN 100 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2b3s h THR 101 N 0.00 1.43 -3.00 5.09 1.35 -0.83 -3.44 112.91 113.51 2b3s h THR 101 Ca -0.37 -2.07 -0.57 0.00 -0.55 0.00 0.00 66.41 62.86 2b3s h THR 101 Cb 1.18 2.10 -0.04 0.00 -1.73 0.00 0.00 68.15 69.66 2b3s h THR 101 CO 0.48 0.60 0.97 -0.63 -0.25 0.00 0.00 175.52 176.69 2b3s s ILE 102 N -3.66 4.11 0.00 6.82 1.01 -0.33 -4.77 121.20 124.38 2b3s s ILE 102 Ca -0.02 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.92 2b3s s ILE 102 Cb 0.12 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2b3s s ILE 102 CO 0.77 -0.33 0.00 -1.14 0.00 0.00 0.00 174.94 174.24 2b3s n ARG 103 N 7.12 0.80 -4.63 2.79 0.63 -1.26 -4.73 116.66 117.38 2b3s n ARG 103 Ca 0.15 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.79 2b3s n ARG 103 Cb 0.46 -0.69 -0.09 0.00 0.45 0.00 0.00 32.46 32.58 2b3s n ARG 103 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2b3s s SER 104 N -2.56 3.60 0.39 6.15 1.04 -1.26 -4.91 113.70 116.13 2b3s s SER 104 Ca 0.00 -1.53 0.09 0.00 0.48 0.00 0.00 55.95 55.00 2b3s s SER 104 Cb 0.00 0.13 0.78 0.00 0.10 0.00 0.00 66.02 67.03 2b3s s SER 104 CO 0.00 -0.70 1.92 0.00 0.98 0.00 0.00 173.24 175.44 2b3s h ALA 105 N 1.66 1.51 -0.71 5.32 0.00 -1.97 -2.39 119.26 122.68 2b3s h ALA 105 Ca -0.42 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 2b3s h ALA 105 Cb 1.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2b3s h ALA 105 CO 0.73 0.35 0.19 1.03 0.00 0.00 0.00 179.25 181.55 2b3s h SER 106 N 0.25 1.06 -0.19 0.00 0.87 -1.98 -0.82 113.55 112.73 2b3s h SER 106 Ca 0.05 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 2b3s h SER 106 Cb 0.36 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2b3s h SER 106 CO 0.02 1.01 -0.02 0.44 -0.53 0.00 0.00 176.83 177.74 2b3s h ASP 107 N 1.07 0.45 -0.18 6.23 3.32 -1.79 -0.32 116.42 125.19 2b3s h ASP 107 Ca 0.22 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2b3s h ASP 107 Cb 0.35 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2b3s h ASP 107 CO -0.00 0.53 -0.03 0.40 -1.72 0.00 0.00 179.24 178.42 2b3s h ILE 108 N 0.46 1.28 -0.89 0.35 2.04 -1.11 -2.68 117.51 116.94 2b3s h ILE 108 Ca 0.10 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 65.08 2b3s h ILE 108 Cb 0.34 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 2b3s h ILE 108 CO 0.01 0.29 0.58 -0.09 0.00 0.00 0.00 178.15 178.94 2b3s h ARG 109 N 0.06 0.92 -0.09 2.37 2.43 -0.68 -1.12 114.38 118.27 2b3s h ARG 109 Ca 0.05 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2b3s h ARG 109 Cb 0.45 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2b3s h ARG 109 CO 0.01 0.61 -0.33 -0.44 -1.51 0.00 0.00 179.97 178.31 2b3s h ASP 110 N 0.95 0.17 -0.31 -3.80 3.32 -0.98 -1.98 116.42 113.79 2b3s h ASP 110 Ca 0.40 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2b3s h ASP 110 Cb 0.30 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2b3s h ASP 110 CO -0.16 0.50 0.21 0.58 -1.72 0.00 0.00 179.24 178.65 2b3s h VAL 111 N 0.15 1.08 -0.88 -1.35 2.07 -0.86 0.11 116.25 116.57 2b3s h VAL 111 Ca 0.02 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.40 2b3s h VAL 111 Cb 0.67 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2b3s h VAL 111 CO 0.05 0.08 0.58 -0.26 0.02 0.00 0.00 177.57 178.04 2b3s h PHE 112 N 0.43 1.11 0.02 1.57 0.05 -1.21 -2.23 116.94 116.67 2b3s h PHE 112 Ca 0.12 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.93 2b3s h PHE 112 Cb -0.05 -0.37 0.00 0.00 2.00 0.00 0.00 35.95 37.53 2b3s h PHE 112 CO -0.05 0.70 -0.01 0.82 -0.18 0.00 0.00 178.31 179.58 2b3s h ILE 113 N 1.19 1.43 0.00 -0.55 2.04 -0.94 0.93 117.51 121.61 2b3s h ILE 113 Ca 0.32 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.77 2b3s h ILE 113 Cb -0.13 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2b3s h ILE 113 CO -0.07 0.36 0.00 -3.20 0.00 0.00 0.00 178.15 175.24 2b3s n ASN 114 N -4.81 0.00 -0.79 1.72 2.85 0.34 0.48 115.26 115.05 2b3s n ASN 114 Ca -0.09 -0.14 0.08 0.00 -0.11 0.00 0.00 54.58 54.33 2b3s n ASN 114 Cb 0.30 -0.09 0.24 0.00 1.24 0.00 0.00 39.78 41.47 2b3s n ASN 114 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2b3s n ALA 115 N -1.09 2.84 -0.98 5.20 0.00 -0.85 -4.98 120.51 120.66 2b3s n ALA 115 Ca 0.06 -2.20 0.00 0.00 0.00 0.00 0.00 53.44 51.30 2b3s n ALA 115 Cb 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2b3s n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3s n GLY 116 N -0.48 0.45 3.78 0.00 0.00 0.18 -5.01 105.19 104.11 2b3s n GLY 116 Ca 0.20 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 2b3s n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b3s s ILE 117 N -2.00 5.01 0.08 -0.61 1.09 0.28 -5.00 121.20 120.06 2b3s s ILE 117 Ca 0.00 1.02 -0.31 0.00 -1.10 0.00 0.00 60.65 60.26 2b3s s ILE 117 Cb 0.00 -3.82 -0.06 0.00 -1.06 0.00 0.00 42.46 37.52 2b3s s ILE 117 CO 0.00 0.46 1.23 -0.75 -0.10 0.00 0.00 174.94 175.77 2b3s s LYS 118 N -0.32 4.42 0.26 2.79 2.20 -1.26 -3.72 119.74 124.11 2b3s s LYS 118 Ca 0.27 1.82 -0.06 0.00 -0.36 0.00 0.00 55.97 57.64 2b3s s LYS 118 Cb -0.17 -3.32 0.49 0.00 -1.51 0.00 0.00 37.83 33.32 2b3s s LYS 118 CO 0.14 -0.27 1.62 0.78 -0.36 0.00 0.00 175.35 177.26 2b3s h GLY 119 N 6.67 0.90 1.75 5.54 0.00 -1.95 0.25 103.07 116.24 2b3s h GLY 119 Ca -0.42 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2b3s h GLY 119 CO 0.81 -0.33 0.06 0.83 0.00 0.00 0.00 176.54 177.91 2b3s h GLU 120 N 0.08 0.32 -0.09 4.80 5.08 -2.00 -2.31 114.58 120.46 2b3s h GLU 120 Ca 0.45 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 2b3s h GLU 120 Cb 0.80 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2b3s h GLU 120 CO -0.72 0.30 -0.11 0.93 -1.00 0.00 0.00 179.01 178.41 2b3s h GLU 121 N 0.32 0.23 -0.16 2.33 5.08 -0.96 -2.97 114.58 118.45 2b3s h GLU 121 Ca 0.08 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2b3s h GLU 121 Cb 0.13 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 2b3s h GLU 121 CO -0.00 0.68 -0.35 -0.92 -1.00 0.00 0.00 179.01 177.41 2b3s h TYR 122 N -0.20 -0.97 -0.53 4.33 3.20 -0.92 -2.35 116.97 119.52 2b3s h TYR 122 Ca 0.01 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.03 2b3s h TYR 122 Cb 0.64 0.45 -0.10 0.00 1.54 0.00 0.00 36.73 39.27 2b3s h TYR 122 CO 0.10 -0.42 -0.07 -0.44 -1.64 0.00 0.00 178.16 175.69 2b3s h ASP 123 N -0.41 -0.37 -0.23 -2.11 3.32 -1.48 0.63 116.42 115.77 2b3s h ASP 123 Ca 0.10 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2b3s h ASP 123 Cb 0.57 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2b3s h ASP 123 CO -0.38 -0.14 0.15 0.00 -1.72 0.00 0.00 179.24 177.16 2b3s h ALA 124 N 1.51 0.30 -0.05 3.45 0.00 -1.34 -2.06 119.26 121.06 2b3s h ALA 124 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2b3s h ALA 124 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2b3s h ALA 124 CO -0.50 -0.23 0.02 0.00 0.00 0.00 0.00 179.25 178.54 2b3s h ALA 125 N 1.08 0.07 -0.65 0.00 0.00 -1.10 -2.29 119.26 116.38 2b3s h ALA 125 Ca 0.09 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.04 2b3s h ALA 125 Cb -0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.61 2b3s h ALA 125 CO -0.02 -0.36 -0.19 2.35 0.00 0.00 0.00 179.25 181.04 2b3s h TRP 126 N -0.07 -0.43 -0.00 0.00 2.91 -0.70 0.18 115.95 117.84 2b3s h TRP 126 Ca 0.02 0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2b3s h TRP 126 Cb 0.15 0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 2b3s h TRP 126 CO -0.02 -0.30 -0.00 0.09 -1.03 0.00 0.00 178.44 177.18 2b3s n ASN 127 N -5.45 0.01 -4.79 2.65 3.02 -0.79 -4.77 115.26 105.15 2b3s n ASN 127 Ca 0.08 -0.44 -0.31 0.00 -0.03 0.00 0.00 54.58 53.87 2b3s n ASN 127 Cb 0.34 -0.18 0.08 0.00 -0.61 0.00 0.00 39.78 39.41 2b3s n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2b3s s SER 128 N -2.37 4.77 0.26 6.41 1.04 0.64 -4.93 113.70 119.51 2b3s s SER 128 Ca 0.35 1.68 0.09 0.00 0.48 0.00 0.00 55.95 58.55 2b3s s SER 128 Cb 0.21 -2.45 0.31 0.00 0.10 0.00 0.00 66.02 64.18 2b3s s SER 128 CO 0.43 -1.85 1.58 0.15 0.98 0.00 0.00 173.24 174.54 2b3s h PHE 129 N -1.00 0.06 -0.19 5.02 3.57 -1.91 -2.22 116.94 120.28 2b3s h PHE 129 Ca -0.44 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.08 2b3s h PHE 129 Cb 1.23 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 2b3s h PHE 129 CO 0.58 0.67 -0.23 0.28 -2.23 0.00 0.00 178.31 177.38 2b3s h VAL 130 N 0.04 0.43 -0.19 1.41 2.07 -1.93 -1.49 116.25 116.59 2b3s h VAL 130 Ca -0.01 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 2b3s h VAL 130 Cb 1.13 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2b3s h VAL 130 CO 0.09 0.00 -0.40 0.58 0.02 0.00 0.00 177.57 177.85 2b3s h VAL 131 N -0.26 1.30 -0.15 2.57 2.07 -1.76 -0.10 116.25 119.93 2b3s h VAL 131 Ca 0.12 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 2b3s h VAL 131 Cb 0.44 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2b3s h VAL 131 CO -0.34 0.48 0.02 0.50 0.02 0.00 0.00 177.57 178.24 2b3s h LYS 132 N 0.36 0.25 -0.30 1.57 3.64 -1.24 0.17 116.57 121.01 2b3s h LYS 132 Ca 0.03 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2b3s h LYS 132 Cb 0.86 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2b3s h LYS 132 CO 0.07 0.44 0.17 1.03 -2.27 0.00 0.00 179.45 178.89 2b3s h SER 133 N 0.02 0.26 -0.52 4.20 0.87 -1.16 -1.44 113.55 115.78 2b3s h SER 133 Ca 0.04 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 2b3s h SER 133 Cb 0.32 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2b3s h SER 133 CO 0.00 0.19 0.00 -0.07 -0.53 0.00 0.00 176.83 176.43 2b3s h LEU 134 N 0.34 0.92 -0.21 2.23 3.38 -0.91 -0.05 115.31 121.03 2b3s h LEU 134 Ca 0.12 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2b3s h LEU 134 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2b3s h LEU 134 CO -0.07 0.98 0.10 0.58 0.09 0.00 0.00 178.44 180.12 2b3s h VAL 135 N 0.88 0.99 -0.58 1.22 2.07 -0.86 -1.39 116.25 118.58 2b3s h VAL 135 Ca 0.16 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.64 2b3s h VAL 135 Cb 0.51 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2b3s h VAL 135 CO 0.03 0.04 0.34 0.00 0.02 0.00 0.00 177.57 177.99 2b3s h ALA 136 N 1.11 0.75 -0.90 1.67 0.00 -0.92 -2.42 119.26 118.55 2b3s h ALA 136 Ca 0.08 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2b3s h ALA 136 Cb 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2b3s h ALA 136 CO -0.06 0.05 0.60 1.96 0.00 0.00 0.00 179.25 181.79 2b3s h GLN 137 N 0.66 1.16 -0.16 0.00 4.20 -0.69 -0.33 115.11 119.96 2b3s h GLN 137 Ca 0.24 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2b3s h GLN 137 Cb 0.06 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 2b3s h GLN 137 CO -0.12 0.77 -0.12 1.96 -0.67 0.00 0.00 178.83 180.65 2b3s h GLN 138 N 1.20 0.36 0.43 1.46 4.20 -1.04 -1.15 115.11 120.56 2b3s h GLN 138 Ca 0.34 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2b3s h GLN 138 Cb -0.11 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2b3s h GLN 138 CO -0.08 0.71 -0.27 0.93 -0.67 0.00 0.00 178.83 179.45 2b3s h GLU 139 N 0.01 -0.65 -0.32 1.46 5.08 -1.21 -3.04 114.58 115.90 2b3s h GLU 139 Ca 0.03 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2b3s h GLU 139 Cb 0.63 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 2b3s h GLU 139 CO 0.03 -0.43 0.02 -0.22 -1.00 0.00 0.00 179.01 177.41 2b3s h LYS 140 N -0.68 0.11 -0.96 2.33 1.63 -1.13 -2.77 116.57 115.11 2b3s h LYS 140 Ca -0.05 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2b3s h LYS 140 Cb 0.56 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.11 2b3s h LYS 140 CO 0.04 0.08 0.63 0.00 -3.45 0.00 0.00 179.45 176.75 2b3s h ALA 141 N 1.27 1.35 -0.33 5.00 0.00 -1.23 0.35 119.26 125.67 2b3s h ALA 141 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2b3s h ALA 141 Cb 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2b3s h ALA 141 CO -0.24 0.57 -0.13 0.00 0.00 0.00 0.00 179.25 179.45 2b3s h ALA 142 N 1.42 0.46 -0.82 0.00 0.00 -1.47 -1.67 119.26 117.18 2b3s h ALA 142 Ca 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2b3s h ALA 142 Cb -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2b3s h ALA 142 CO -0.10 0.35 0.40 0.00 0.00 0.00 0.00 179.25 179.90 2b3s h ALA 143 N 0.79 1.15 -0.48 0.00 0.00 -1.19 -0.70 119.26 118.83 2b3s h ALA 143 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2b3s h ALA 143 Cb 0.65 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2b3s h ALA 143 CO 0.04 0.65 0.04 -0.44 0.00 0.00 0.00 179.25 179.54 2b3s h ASP 144 N 1.17 0.72 -0.25 0.00 3.32 0.03 -2.34 116.42 119.07 2b3s h ASP 144 Ca 0.28 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2b3s h ASP 144 Cb 0.11 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2b3s h ASP 144 CO -0.04 0.76 0.00 1.33 -1.72 0.00 0.00 179.24 179.57 2b3s n VAL 145 N -4.25 0.33 -3.75 -1.35 0.24 -0.66 -4.84 118.33 104.05 2b3s n VAL 145 Ca 0.03 -0.44 -0.27 0.00 -2.04 0.00 0.00 64.34 61.62 2b3s n VAL 145 Cb 0.27 0.41 0.02 0.00 -1.47 0.00 0.00 33.84 33.07 2b3s n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b3s n GLN 146 N 0.54 -2.74 -1.69 7.34 6.02 -0.88 -4.77 117.38 121.19 2b3s n GLN 146 Ca 0.16 0.49 -0.44 0.00 -0.01 0.00 0.00 57.00 57.20 2b3s n GLN 146 Cb 0.36 -4.55 -0.04 0.00 1.02 0.00 0.00 30.24 27.04 2b3s n GLN 146 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2b3s n LEU 147 N -4.24 3.70 -0.85 1.08 7.94 -0.31 -4.89 117.00 119.43 2b3s n LEU 147 Ca -0.21 1.03 0.08 0.00 -1.11 0.00 0.00 56.01 55.80 2b3s n LEU 147 Cb 0.64 -1.50 0.23 0.00 0.53 0.00 0.00 43.42 43.32 2b3s n LEU 147 CO 0.70 0.02 0.69 0.54 -1.11 0.00 0.00 177.39 178.22 2b3s n ARG 148 N 4.74 2.98 0.00 1.96 1.74 -1.26 -5.03 116.66 121.79 2b3s n ARG 148 Ca 0.18 -2.57 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 2b3s n ARG 148 Cb 0.33 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2b3s n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b3s n GLY 149 N -0.06 3.14 3.23 -0.13 0.00 -1.26 -5.13 105.19 104.98 2b3s n GLY 149 Ca 0.18 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 2b3s n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b3s s VAL 150 N -2.00 1.30 0.56 1.61 -7.23 -1.26 -4.26 120.40 109.12 2b3s s VAL 150 Ca 0.00 -1.68 -0.17 0.00 -1.81 0.00 0.00 61.98 58.32 2b3s s VAL 150 Cb 0.00 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 2b3s s VAL 150 CO 0.00 -0.40 1.04 -2.16 -0.31 0.00 0.00 175.10 173.27 2b3s s PRO 151 N -2.60 3.53 -0.02 4.82 0.04 -1.26 -5.02 135.00 134.49 2b3s s PRO 151 Ca 0.08 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 62.19 2b3s s PRO 151 Cb -0.05 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2b3s s PRO 151 CO 0.03 -0.64 0.21 0.00 0.04 0.00 0.00 177.00 176.64 2b3s s ALA 152 N -2.43 -0.52 -0.03 8.56 0.00 -1.12 -5.00 121.76 121.23 2b3s s ALA 152 Ca 0.63 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.74 2b3s s ALA 152 Cb -0.15 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2b3s s ALA 152 CO 0.33 -0.21 -0.07 1.41 0.00 0.00 0.00 175.76 177.21 2b3s s MET 153 N -1.16 0.87 0.00 0.00 1.75 -1.26 -0.89 119.30 118.61 2b3s s MET 153 Ca -0.12 -0.24 0.06 0.00 -1.25 0.00 0.00 55.69 54.13 2b3s s MET 153 Cb -0.06 -0.82 -0.02 0.00 2.84 0.00 0.00 34.83 36.77 2b3s s MET 153 CO 0.02 0.07 -0.18 -0.06 -0.65 0.00 0.00 175.02 174.22 2b3s s PHE 154 N 0.32 1.60 -0.17 4.11 0.08 0.14 -0.66 117.98 123.40 2b3s s PHE 154 Ca -0.05 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 2b3s s PHE 154 Cb -0.09 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.34 2b3s s PHE 154 CO 0.00 0.00 -0.09 0.08 -0.10 0.00 0.00 175.22 175.11 2b3s s VAL 155 N -0.53 3.17 -1.12 -0.44 1.01 0.12 -0.15 120.40 122.46 2b3s s VAL 155 Ca 0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 2b3s s VAL 155 Cb -0.07 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2b3s s VAL 155 CO -0.00 0.48 0.13 0.59 0.00 0.00 0.00 175.10 176.30 2b3s n ASN 156 N 4.12 -3.96 -0.63 3.32 3.02 -0.10 -1.37 115.26 119.66 2b3s n ASN 156 Ca -0.18 0.06 -0.08 0.00 -0.03 0.00 0.00 54.58 54.34 2b3s n ASN 156 Cb 0.52 -3.34 -0.04 0.00 -0.61 0.00 0.00 39.78 36.32 2b3s n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b3s n GLY 157 N -0.91 0.80 0.51 7.41 0.00 -1.26 -4.72 105.19 107.02 2b3s n GLY 157 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2b3s n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b3s n LYS 158 N -0.45 0.00 -5.25 1.61 5.02 -0.47 -0.81 118.16 117.81 2b3s n LYS 158 Ca -0.08 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.89 2b3s n LYS 158 Cb 0.56 -0.73 -0.16 0.00 -0.02 0.00 0.00 35.03 34.68 2b3s n LYS 158 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2b3s s TYR 159 N -1.98 2.40 -0.15 2.13 2.02 -0.70 -0.24 117.35 120.83 2b3s s TYR 159 Ca 0.00 -0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 56.21 2b3s s TYR 159 Cb 0.00 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 2b3s s TYR 159 CO 0.00 -0.05 -0.05 -1.14 -1.57 0.00 0.00 175.55 172.74 2b3s s GLN 160 N -0.53 3.58 0.48 -0.62 0.74 0.60 0.13 119.66 124.04 2b3s s GLN 160 Ca 0.08 -0.54 -0.24 0.00 0.05 0.00 0.00 55.36 54.71 2b3s s GLN 160 Cb -0.11 -2.86 -0.07 0.00 1.10 0.00 0.00 33.01 31.08 2b3s s GLN 160 CO 0.00 0.27 1.37 -0.51 -0.55 0.00 0.00 175.29 175.87 2b3s s LEU 161 N 0.27 4.02 -0.54 3.68 2.01 0.16 -0.69 118.68 127.60 2b3s s LEU 161 Ca -0.04 2.80 0.04 0.00 0.01 0.00 0.00 54.13 56.93 2b3s s LEU 161 Cb -0.14 -4.08 0.15 0.00 0.01 0.00 0.00 46.19 42.13 2b3s s LEU 161 CO 0.03 -1.28 0.35 0.21 1.01 0.00 0.00 176.35 176.67 2b3s s ASN 162 N -0.75 3.75 0.63 2.29 2.47 -0.30 -4.76 114.94 118.25 2b3s s ASN 162 Ca 0.65 -3.18 0.36 0.00 0.42 0.00 0.00 52.86 51.11 2b3s s ASN 162 Cb -0.41 -1.22 2.09 0.00 -1.45 0.00 0.00 41.25 40.26 2b3s s ASN 162 CO 0.51 -0.18 2.30 -0.65 -3.72 0.00 0.00 177.10 175.36 2b3s h PRO 163 N 6.05 0.00 -0.87 0.43 0.11 -1.88 -1.26 132.00 134.58 2b3s h PRO 163 Ca 0.08 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.25 2b3s h PRO 163 Cb 0.86 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.91 2b3s h PRO 163 CO 0.57 0.00 0.55 1.96 -0.21 0.00 0.00 178.00 180.87 2b3s h GLN 164 N 0.00 0.99 -0.97 1.05 7.50 -1.93 -2.43 115.11 119.33 2b3s h GLN 164 Ca 0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.06 2b3s h GLN 164 Cb 0.02 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.31 2b3s h GLN 164 CO -0.00 0.66 0.04 0.41 -1.50 0.00 0.00 178.83 178.43 2b3s n GLY 165 N -1.33 1.96 3.27 3.46 0.00 -0.47 -4.82 105.19 107.25 2b3s n GLY 165 Ca 0.12 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2b3s n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2b3s s MET 166 N -0.89 1.11 -0.68 1.61 -1.94 -0.92 -4.30 119.30 113.29 2b3s s MET 166 Ca 0.07 -1.46 -0.27 0.00 -1.71 0.00 0.00 55.69 52.32 2b3s s MET 166 Cb 0.06 -0.74 0.02 0.00 2.01 0.00 0.00 34.83 36.18 2b3s s MET 166 CO 0.02 0.10 1.33 0.34 -0.01 0.00 0.00 175.02 176.81 2b3s s ASP 167 N -3.13 6.12 -0.13 3.03 2.15 -1.26 -4.84 116.67 118.62 2b3s s ASP 167 Ca 0.17 -0.19 0.17 0.00 0.43 0.00 0.00 52.55 53.13 2b3s s ASP 167 Cb 0.01 -2.55 0.72 0.00 -0.30 0.00 0.00 42.92 40.80 2b3s s ASP 167 CO 0.02 -1.81 1.62 0.35 -0.17 0.00 0.00 175.17 175.18 2b3s n THR 168 N 6.56 1.89 1.69 1.71 -2.24 -1.26 -2.69 114.28 119.95 2b3s n THR 168 Ca 0.07 -1.17 0.11 0.00 -2.27 0.00 0.00 64.05 60.79 2b3s n THR 168 Cb 0.49 0.06 0.54 0.00 -2.10 0.00 0.00 70.33 69.33 2b3s n THR 168 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2b3s n SER 169 N 1.05 0.71 -3.63 3.42 3.41 -1.26 -4.74 113.62 112.59 2b3s n SER 169 Ca 0.26 -1.47 -0.09 0.00 -0.26 0.00 0.00 58.87 57.31 2b3s n SER 169 Cb 0.91 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.76 2b3s n SER 169 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2b3s s ASN 170 N -1.68 -0.39 0.32 4.04 2.20 -1.26 -5.08 114.94 113.09 2b3s s ASN 170 Ca 0.33 0.71 0.02 0.00 -0.94 0.00 0.00 52.86 52.98 2b3s s ASN 170 Cb 0.16 0.71 0.55 0.00 -2.00 0.00 0.00 41.25 40.67 2b3s s ASN 170 CO 0.26 -0.16 1.92 0.24 -2.94 0.00 0.00 177.10 176.42 2b3s h MET 171 N 3.83 0.76 -0.11 3.55 2.86 -1.91 -2.01 114.93 121.90 2b3s h MET 171 Ca -0.26 -0.10 -0.18 0.00 -2.06 0.00 0.00 59.70 57.10 2b3s h MET 171 Cb 1.18 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 2b3s h MET 171 CO 0.15 0.61 -0.67 -0.44 1.06 0.00 0.00 176.91 177.62 2b3s h ASP 172 N 0.76 0.51 0.03 1.22 3.32 -1.98 0.34 116.42 120.63 2b3s h ASP 172 Ca 0.18 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2b3s h ASP 172 Cb 0.13 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2b3s h ASP 172 CO -0.02 1.04 -0.01 0.58 -1.72 0.00 0.00 179.24 179.10 2b3s h VAL 173 N 0.31 1.40 -0.69 -1.35 2.07 -1.81 -2.21 116.25 113.96 2b3s h VAL 173 Ca -0.02 -1.50 0.09 0.00 0.82 0.00 0.00 66.70 66.08 2b3s h VAL 173 Cb 1.23 2.38 -0.11 0.00 -1.52 0.00 0.00 31.29 33.27 2b3s h VAL 173 CO 0.12 0.37 -0.50 0.15 0.02 0.00 0.00 177.57 177.73 2b3s h PHE 174 N -0.72 -1.51 -0.87 1.57 3.57 -1.15 -0.58 116.94 117.25 2b3s h PHE 174 Ca -0.00 0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2b3s h PHE 174 Cb 0.64 0.76 -0.07 0.00 2.79 0.00 0.00 35.95 40.07 2b3s h PHE 174 CO 0.15 -0.42 0.52 0.28 -2.23 0.00 0.00 178.31 176.61 2b3s h VAL 175 N -0.18 0.97 -0.35 1.41 2.07 -0.33 0.28 116.25 120.11 2b3s h VAL 175 Ca 0.17 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2b3s h VAL 175 Cb 0.54 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2b3s h VAL 175 CO -0.76 0.16 -0.03 -0.61 0.02 0.00 0.00 177.57 176.35 2b3s h GLN 176 N 0.90 0.64 0.31 1.57 5.75 -0.80 0.11 115.11 123.60 2b3s h GLN 176 Ca 0.40 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.67 2b3s h GLN 176 Cb 0.30 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2b3s h GLN 176 CO -0.22 0.77 -0.15 1.96 -2.65 0.00 0.00 178.83 178.54 2b3s h GLN 177 N 0.45 -0.40 -0.66 1.69 4.20 -0.50 0.22 115.11 120.11 2b3s h GLN 177 Ca 0.10 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.97 2b3s h GLN 177 Cb 0.50 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 28.27 2b3s h GLN 177 CO 0.02 -0.14 0.08 -0.92 -0.67 0.00 0.00 178.83 177.20 2b3s h TYR 178 N -0.63 0.09 -0.31 2.96 3.20 -0.48 -0.33 116.97 121.47 2b3s h TYR 178 Ca -0.04 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.69 2b3s h TYR 178 Cb 0.45 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 2b3s h TYR 178 CO -0.00 -0.12 -0.50 0.00 -1.64 0.00 0.00 178.16 175.90 2b3s h ALA 179 N 1.57 0.52 -0.34 1.82 0.00 -0.57 -2.67 119.26 119.60 2b3s h ALA 179 Ca 0.35 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2b3s h ALA 179 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2b3s h ALA 179 CO -0.51 0.68 0.01 -0.44 0.00 0.00 0.00 179.25 178.99 2b3s h ASP 180 N 0.68 0.49 -0.11 0.00 3.32 -0.07 -2.90 116.42 117.84 2b3s h ASP 180 Ca 0.03 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 2b3s h ASP 180 Cb 1.10 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 2b3s h ASP 180 CO 0.11 0.55 -0.39 0.74 -1.72 0.00 0.00 179.24 178.53 2b3s h THR 181 N 0.51 1.29 -0.75 0.35 2.02 -0.88 -2.21 112.91 113.25 2b3s h THR 181 Ca 0.11 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.71 2b3s h THR 181 Cb 0.31 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 2b3s h THR 181 CO 0.01 0.50 0.38 0.58 0.37 0.00 0.00 175.52 177.35 2b3s h VAL 182 N 0.52 1.23 -0.09 3.16 2.07 -1.28 -1.48 116.25 120.38 2b3s h VAL 182 Ca 0.05 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2b3s h VAL 182 Cb 0.91 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2b3s h VAL 182 CO 0.08 0.27 0.01 0.11 0.02 0.00 0.00 177.57 178.06 2b3s h LYS 183 N 1.06 0.15 -0.93 1.57 1.57 -1.38 0.28 116.57 118.88 2b3s h LYS 183 Ca 0.26 -0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.14 2b3s h LYS 183 Cb 0.08 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.28 2b3s h LYS 183 CO -0.04 0.39 0.54 -0.92 -0.57 0.00 0.00 179.45 178.85 2b3s h TYR 184 N -0.11 0.95 -0.02 -1.35 3.20 -1.17 -1.83 116.97 116.64 2b3s h TYR 184 Ca 0.03 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 2b3s h TYR 184 Cb 0.32 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2b3s h TYR 184 CO 0.03 0.28 -0.73 -0.07 -1.64 0.00 0.00 178.16 176.03 2b3s h LEU 185 N 0.77 0.14 -5.67 2.82 3.38 -1.00 -1.59 115.31 114.16 2b3s h LEU 185 Ca 0.50 -0.10 -0.74 0.00 0.09 0.00 0.00 57.88 57.62 2b3s h LEU 185 Cb 0.65 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.23 2b3s h LEU 185 CO -0.33 0.82 2.41 -1.54 0.09 0.00 0.00 178.44 179.89 2b3s n SER 186 N -3.73 7.94 0.00 -0.43 3.41 0.06 -3.11 113.62 117.76 2b3s n SER 186 Ca -0.02 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 2b3s n SER 186 Cb 0.71 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2b3s n SER 186 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b3s n GLU 187 N 1.82 0.00 0.00 4.33 1.02 -1.24 -4.91 120.64 121.66 2b3s n GLU 187 Ca 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 2b3s n GLU 187 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 2b3s n GLU 187 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48