#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 3.55 -0.04 1.08 1.51 -1.26 -4.98 117.35 117.21 2b3s s TYR 3 Ca 0.00 0.73 -0.00 0.00 -1.01 0.00 0.00 57.07 56.78 2b3s s TYR 3 Cb 0.00 -2.32 0.03 0.00 -0.11 0.00 0.00 41.96 39.55 2b3s s TYR 3 CO 0.00 0.37 0.01 -1.21 -1.11 0.00 0.00 175.55 173.62 2b3s s GLU 4 N -0.02 0.28 0.16 -0.62 2.02 -1.26 -5.09 118.70 114.17 2b3s s GLU 4 Ca 0.20 0.15 -0.34 0.00 0.02 0.00 0.00 54.97 54.99 2b3s s GLU 4 Cb -0.14 -0.59 -0.15 0.00 0.10 0.00 0.00 34.13 33.36 2b3s s GLU 4 CO 0.07 -0.21 1.44 -3.47 0.02 0.00 0.00 175.26 173.11 2b3s n ASP 5 N 4.59 2.47 0.00 -0.19 2.03 -1.26 -0.94 116.55 123.26 2b3s n ASP 5 Ca -0.18 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.24 2b3s n ASP 5 Cb 0.50 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 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 2.79 3.47 0.00 0.27 0.00 0.90 -4.95 105.19 107.67 2b3s n GLY 6 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 0.00 0.21 1.61 4.81 -0.11 -4.72 118.16 117.95 2b3s n LYS 7 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 2b3s n LYS 7 Cb 0.00 -0.09 0.38 0.00 0.02 0.00 0.00 35.03 35.34 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 -2.98 1.64 7.50 -1.74 -3.07 115.11 116.46 2b3s h GLN 8 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 2b3s h GLN 8 Cb 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.40 2b3s h GLN 8 CO 0.00 0.28 0.13 1.52 -1.50 0.00 0.00 178.83 179.26 2b3s s TYR 9 N -3.56 -0.47 0.13 2.96 1.13 -1.26 -0.93 117.35 115.34 2b3s s TYR 9 Ca 0.01 0.32 0.08 0.00 -1.41 0.00 0.00 57.07 56.07 2b3s s TYR 9 Cb 0.10 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.38 2b3s s TYR 9 CO 0.66 -0.78 -0.20 0.95 -2.51 0.00 0.00 175.55 173.67 2b3s s THR 10 N -3.41 1.76 -0.21 -3.49 -4.23 0.65 -0.07 115.64 106.64 2b3s s THR 10 Ca -0.00 -1.69 -0.09 0.00 -1.18 0.00 0.00 61.69 58.73 2b3s s THR 10 Cb -0.00 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 2b3s s THR 10 CO -0.10 -0.16 0.11 -0.89 -0.54 0.00 0.00 174.62 173.05 2b3s s THR 11 N -1.50 5.09 0.28 3.99 2.01 -1.26 0.20 115.64 124.44 2b3s s THR 11 Ca 0.10 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 2b3s s THR 11 Cb -0.08 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 2b3s s THR 11 CO 0.05 0.41 1.47 -0.76 -0.69 0.00 0.00 174.62 175.10 2b3s s LEU 12 N 0.64 4.38 0.11 4.42 1.43 0.14 -4.94 118.68 124.86 2b3s s LEU 12 Ca 0.06 2.76 -0.22 0.00 -1.03 0.00 0.00 54.13 55.70 2b3s s LEU 12 Cb -0.12 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 2b3s s LEU 12 CO 0.01 -0.75 1.72 -0.33 0.23 0.00 0.00 176.35 177.23 2b3s h GLU 13 N 4.69 -0.05 -4.17 1.70 5.08 -1.97 -3.35 114.58 116.51 2b3s h GLU 13 Ca -0.47 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.17 2b3s h GLU 13 Cb 1.22 0.01 -0.30 0.00 0.50 0.00 0.00 28.75 30.18 2b3s h GLU 13 CO 0.76 -0.03 -0.36 0.15 -1.00 0.00 0.00 179.01 178.53 2b3s s LYS 14 N -6.19 2.54 0.71 2.33 1.02 -1.26 -5.09 119.74 113.80 2b3s s LYS 14 Ca -0.13 -1.94 -0.16 0.00 0.02 0.00 0.00 55.97 53.75 2b3s s LYS 14 Cb 0.08 -3.91 -0.00 0.00 -0.52 0.00 0.00 37.83 33.48 2b3s s LYS 14 CO 0.67 -1.19 0.96 -2.30 -0.92 0.00 0.00 175.35 172.57 2b3s n PRO 15 N 4.59 0.56 -3.60 -1.68 -0.02 -1.26 -4.97 135.00 128.62 2b3s n PRO 15 Ca -0.03 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.29 2b3s n PRO 15 Cb 0.41 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.78 4.46 0.28 -1.45 1.01 0.11 -5.00 120.40 118.03 2b3s s VAL 16 Ca 0.74 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 2b3s s VAL 16 Cb -0.35 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 2b3s s VAL 16 CO 0.50 -0.29 1.12 0.00 0.00 0.00 0.00 175.10 176.42 2b3s s ALA 17 N 1.52 3.41 -0.66 5.51 0.00 -1.26 -3.02 121.76 127.27 2b3s s ALA 17 Ca 0.02 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2b3s s ALA 17 Cb -0.20 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2b3s s ALA 17 CO 0.06 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2b3s n GLY 18 N 1.23 0.79 3.76 0.00 0.00 -1.26 -5.02 105.19 104.69 2b3s n GLY 18 Ca -0.01 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.98 2.27 0.71 4.61 0.00 -1.17 -5.00 121.76 121.19 2b3s s ALA 19 Ca 0.00 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 2b3s s ALA 19 Cb 0.00 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 2b3s s ALA 19 CO 0.00 -1.70 0.96 -2.30 0.00 0.00 0.00 175.76 172.72 2b3s n PRO 20 N -3.29 0.56 -0.03 0.00 -0.02 -1.26 -4.70 135.00 126.27 2b3s n PRO 20 Ca 0.10 0.25 -0.09 0.00 -2.02 0.00 0.00 63.50 61.73 2b3s n PRO 20 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2b3s n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2b3s h GLN 21 N -0.15 0.04 -3.89 -0.52 4.20 -1.91 -3.31 115.11 109.57 2b3s h GLN 21 Ca -0.48 -0.00 -0.50 0.00 0.06 0.00 0.00 58.65 57.73 2b3s h GLN 21 Cb 1.34 -0.01 -0.38 0.00 0.30 0.00 0.00 27.48 28.73 2b3s h GLN 21 CO 0.47 0.03 -0.78 0.08 -0.67 0.00 0.00 178.83 177.96 2b3s s VAL 22 N -6.19 0.72 -0.17 -0.54 1.01 -1.24 -0.03 120.40 113.96 2b3s s VAL 22 Ca -0.13 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2b3s s VAL 22 Cb 0.09 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2b3s s VAL 22 CO 0.68 0.14 -0.15 -0.22 0.00 0.00 0.00 175.10 175.55 2b3s s LEU 23 N 1.81 1.93 -0.08 3.92 0.20 -0.06 -0.38 118.68 126.01 2b3s s LEU 23 Ca 0.03 -0.61 0.00 0.00 0.69 0.00 0.00 54.13 54.24 2b3s s LEU 23 Cb -0.14 -1.28 -0.03 0.00 -0.43 0.00 0.00 46.19 44.31 2b3s s LEU 23 CO -0.07 -0.05 -0.08 -0.70 -0.29 0.00 0.00 176.35 175.16 2b3s s GLU 24 N 1.41 2.90 -0.07 1.98 2.12 0.03 -0.30 118.70 126.78 2b3s s GLU 24 Ca 0.04 -0.57 -0.00 0.00 0.36 0.00 0.00 54.97 54.80 2b3s s GLU 24 Cb -0.13 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 2b3s s GLU 24 CO -0.11 0.57 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.09 2b3s s PHE 25 N -0.55 3.06 0.17 5.30 0.40 0.05 -0.57 117.98 125.83 2b3s s PHE 25 Ca 0.08 0.11 -0.08 0.00 -0.60 0.00 0.00 56.93 56.45 2b3s s PHE 25 Cb -0.12 -1.75 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 2b3s s PHE 25 CO 0.02 0.41 0.26 -0.59 0.70 0.00 0.00 175.22 176.01 2b3s s PHE 26 N -0.87 0.50 -0.03 0.36 -0.12 -0.69 -2.70 117.98 114.43 2b3s s PHE 26 Ca 0.13 -0.86 0.02 0.00 -0.05 0.00 0.00 56.93 56.18 2b3s s PHE 26 Cb -0.11 -0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.16 2b3s s PHE 26 CO 0.02 -0.70 -0.08 0.45 -0.05 0.00 0.00 175.22 174.86 2b3s s SER 27 N -2.99 1.16 0.19 1.98 0.15 -1.26 -0.60 113.70 112.33 2b3s s SER 27 Ca 0.19 -0.18 0.16 0.00 0.70 0.00 0.00 55.95 56.83 2b3s s SER 27 Cb 0.04 -0.33 0.79 0.00 -1.71 0.00 0.00 66.02 64.80 2b3s s SER 27 CO 0.01 0.05 1.50 0.49 1.20 0.00 0.00 173.24 176.49 2b3s n PHE 28 N 3.36 0.49 -0.42 3.44 3.01 -1.26 -2.64 117.46 123.44 2b3s n PHE 28 Ca -0.19 0.23 0.11 0.00 1.01 0.00 0.00 57.45 58.61 2b3s n PHE 28 Cb 0.54 -0.87 0.33 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 -1.98 1.07 -3.92 1.38 3.01 -1.26 -4.75 117.46 111.01 2b3s n PHE 29 Ca 0.00 -0.52 -0.35 0.00 1.01 0.00 0.00 57.45 57.59 2b3s n PHE 29 Cb 0.09 -0.05 -0.14 0.00 -0.01 0.00 0.00 39.48 39.38 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 4.75 2.91 3.75 0.00 0.00 -1.26 -4.69 105.19 110.66 2b3s n GLY 31 Ca -0.18 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.96 2.41 0.38 1.61 3.76 -1.26 -4.83 115.29 114.40 2b3s s HIS 32 Ca 0.00 1.53 0.11 0.00 -0.15 0.00 0.00 55.06 56.55 2b3s s HIS 32 Cb 0.00 -3.42 0.90 0.00 1.11 0.00 0.00 32.58 31.17 2b3s s HIS 32 CO 0.00 -2.12 1.90 0.00 -0.85 0.00 0.00 174.74 173.67 2b3s h ALA 33 N 0.69 1.92 -0.02 -1.40 0.00 -1.92 0.85 119.26 119.38 2b3s h ALA 33 Ca -0.50 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2b3s h ALA 33 Cb 1.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2b3s h ALA 33 CO 0.55 -0.12 -0.45 0.10 0.00 0.00 0.00 179.25 179.32 2b3s h TYR 34 N 0.60 0.05 -0.08 0.00 -0.00 -1.99 -1.68 116.97 113.86 2b3s h TYR 34 Ca 0.40 -0.01 -0.23 0.00 -0.00 0.00 0.00 58.73 58.88 2b3s h TYR 34 Cb 0.69 -0.01 0.01 0.00 -0.00 0.00 0.00 36.73 37.43 2b3s h TYR 34 CO -0.00 0.49 -0.86 1.96 -0.00 0.00 0.00 178.16 179.75 2b3s h GLN 35 N 0.04 0.72 -0.54 0.10 4.20 -1.50 -2.31 115.11 115.82 2b3s h GLN 35 Ca -0.00 -0.67 0.04 0.00 0.06 0.00 0.00 58.65 58.08 2b3s h GLN 35 Cb 0.82 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.72 2b3s h GLN 35 CO 0.06 1.27 0.29 0.35 -0.67 0.00 0.00 178.83 180.13 2b3s h PHE 36 N 0.42 0.53 -0.69 2.96 3.57 -0.66 -2.22 116.94 120.86 2b3s h PHE 36 Ca -0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 2b3s h PHE 36 Cb 1.50 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 2b3s h PHE 36 CO 0.10 0.27 0.22 0.93 -2.23 0.00 0.00 178.31 177.59 2b3s h GLU 37 N 0.56 1.05 -0.77 1.11 5.08 -1.32 -1.28 114.58 119.01 2b3s h GLU 37 Ca 0.24 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2b3s h GLU 37 Cb 0.12 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2b3s h GLU 37 CO -0.15 0.89 0.47 0.93 -1.00 0.00 0.00 179.01 180.15 2b3s h GLU 38 N 1.01 0.86 -0.52 2.33 5.08 -1.01 -1.62 114.58 120.70 2b3s h GLU 38 Ca 0.22 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2b3s h GLU 38 Cb 0.28 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2b3s h GLU 38 CO -0.01 0.57 -0.03 0.28 -1.00 0.00 0.00 179.01 178.82 2b3s h VAL 39 N 0.88 1.27 -0.83 3.13 2.07 -0.80 -1.52 116.25 120.45 2b3s h VAL 39 Ca 0.33 -1.14 0.08 0.00 0.82 0.00 0.00 66.70 66.78 2b3s h VAL 39 Cb 0.12 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 2b3s h VAL 39 CO -0.15 0.40 0.50 -0.07 0.02 0.00 0.00 177.57 178.27 2b3s h LEU 40 N 0.81 0.75 -0.14 2.57 4.07 -1.02 0.02 115.31 122.38 2b3s h LEU 40 Ca 0.14 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 2b3s h LEU 40 Cb 0.57 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2b3s h LEU 40 CO 0.03 0.46 0.04 -0.74 -1.08 0.00 0.00 178.44 177.15 2b3s h HIS 41 N 0.88 0.24 -0.24 1.13 2.76 -0.86 0.35 115.15 119.40 2b3s h HIS 41 Ca 0.38 -0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.58 2b3s h HIS 41 Cb 0.25 -0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.09 2b3s h HIS 41 CO -0.05 0.37 -0.12 0.82 -1.30 0.00 0.00 177.93 177.66 2b3s h ILE 42 N 0.03 0.62 -0.74 6.26 2.04 -1.07 -1.01 117.51 123.65 2b3s h ILE 42 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 2b3s h ILE 42 Cb 0.25 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2b3s h ILE 42 CO 0.00 0.00 0.43 -1.28 0.00 0.00 0.00 178.15 177.30 2b3s h SER 43 N -0.09 0.65 -0.43 1.72 0.87 -0.80 -0.68 113.55 114.79 2b3s h SER 43 Ca 0.13 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 2b3s h SER 43 Cb 0.29 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2b3s h SER 43 CO -0.30 0.41 0.01 0.44 -0.53 0.00 0.00 176.83 176.87 2b3s h ASP 44 N 0.78 0.79 -0.30 6.23 3.32 -0.47 -0.84 116.42 125.93 2b3s h ASP 44 Ca 0.33 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 2b3s h ASP 44 Cb 0.19 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2b3s h ASP 44 CO -0.18 0.84 -0.05 0.78 -1.72 0.00 0.00 179.24 178.91 2b3s h ASN 45 N 0.77 0.65 0.19 6.45 -0.26 -0.57 -1.21 115.58 121.60 2b3s h ASN 45 Ca 0.15 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 2b3s h ASN 45 Cb 0.44 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 2b3s h ASN 45 CO 0.02 0.76 -0.09 0.58 -1.06 0.00 0.00 177.43 177.64 2b3s h VAL 46 N 0.63 0.86 -0.71 2.81 2.07 -0.79 -2.98 116.25 118.14 2b3s h VAL 46 Ca 0.12 -0.20 0.14 0.00 0.82 0.00 0.00 66.70 67.58 2b3s h VAL 46 Cb 0.47 0.98 -0.10 0.00 -1.52 0.00 0.00 31.29 31.12 2b3s h VAL 46 CO 0.02 0.05 0.20 0.11 0.02 0.00 0.00 177.57 177.97 2b3s h LYS 47 N -0.35 0.30 0.00 1.57 1.57 -0.84 -0.30 116.57 118.52 2b3s h LYS 47 Ca -0.03 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2b3s h LYS 47 Cb 0.27 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2b3s h LYS 47 CO 0.04 0.20 -0.03 0.87 -0.57 0.00 0.00 179.45 179.96 2b3s h LYS 48 N 0.31 0.00 -0.00 3.15 1.57 -1.08 -2.76 116.57 117.76 2b3s h LYS 48 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2b3s h LYS 48 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2b3s h LYS 48 CO -0.46 0.03 -0.87 1.63 -0.57 0.00 0.00 179.45 179.22 2b3s n LYS 49 N -3.86 0.11 -1.69 3.15 5.02 -0.16 -4.96 118.16 115.76 2b3s n LYS 49 Ca -0.03 -0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.75 2b3s n LYS 49 Cb 0.12 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 2b3s n LYS 49 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2b3s n LEU 50 N -1.37 3.47 -4.55 -0.35 4.77 -0.96 -4.81 117.00 113.20 2b3s n LEU 50 Ca 0.05 1.20 -0.37 0.00 -0.03 0.00 0.00 56.01 56.86 2b3s n LEU 50 Cb 0.34 -1.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.02 2b3s n LEU 50 CO 0.40 -0.49 0.33 -2.65 -1.33 0.00 0.00 177.39 173.65 2b3s n PRO 51 N 0.79 0.59 -1.68 3.23 -0.02 -1.26 -4.91 135.00 131.74 2b3s n PRO 51 Ca 0.06 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 2b3s n PRO 51 Cb 0.35 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 31.84 2b3s n PRO 51 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2b3s n GLU 52 N -0.95 1.76 -0.99 -0.52 -0.58 -1.26 -1.76 120.64 116.34 2b3s n GLU 52 Ca 0.12 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 2b3s n GLU 52 Cb 0.48 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.05 2b3s n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b3s n GLY 53 N 0.91 0.80 3.32 0.62 0.00 -1.26 -5.02 105.19 104.56 2b3s n GLY 53 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.23 2.79 0.12 1.61 1.01 -0.72 -5.12 120.40 116.85 2b3s s VAL 54 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2b3s s VAL 54 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2b3s s VAL 54 CO 0.00 0.53 -0.18 -1.59 0.00 0.00 0.00 175.10 173.86 2b3s s LYS 55 N 0.44 1.13 -0.07 2.72 0.00 -1.26 -4.77 119.74 117.93 2b3s s LYS 55 Ca -0.11 -1.23 -0.14 0.00 0.00 0.00 0.00 55.97 54.48 2b3s s LYS 55 Cb -0.16 -1.24 -0.05 0.00 0.00 0.00 0.00 37.83 36.38 2b3s s LYS 55 CO 0.05 0.27 0.36 -1.64 0.00 0.00 0.00 175.35 174.39 2b3s s MET 56 N -2.29 4.00 -0.01 1.78 -1.94 -1.26 -3.70 119.30 115.87 2b3s s MET 56 Ca 0.09 0.27 0.05 0.00 -1.71 0.00 0.00 55.69 54.39 2b3s s MET 56 Cb -0.08 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.44 2b3s s MET 56 CO 0.05 0.52 -0.15 0.99 -0.01 0.00 0.00 175.02 176.42 2b3s s THR 57 N -0.47 2.99 -0.07 2.05 2.01 0.48 -5.02 115.64 117.61 2b3s s THR 57 Ca 0.21 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.34 2b3s s THR 57 Cb -0.15 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.16 2b3s s THR 57 CO 0.10 0.49 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.82 2b3s s LYS 58 N -1.03 2.00 0.06 4.92 1.02 -1.26 -0.79 119.74 124.65 2b3s s LYS 58 Ca 0.13 -0.51 0.06 0.00 0.02 0.00 0.00 55.97 55.66 2b3s s LYS 58 Cb -0.11 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 35.57 2b3s s LYS 58 CO 0.03 0.06 -0.10 0.71 -0.92 0.00 0.00 175.35 175.13 2b3s s TYR 59 N 0.59 2.77 0.21 3.18 2.02 0.26 -4.96 117.35 121.43 2b3s s TYR 59 Ca -0.16 -0.13 -0.08 0.00 -0.37 0.00 0.00 57.07 56.34 2b3s s TYR 59 Cb -0.16 -1.51 -0.07 0.00 -0.40 0.00 0.00 41.96 39.83 2b3s s TYR 59 CO 0.05 0.38 0.50 -1.58 -1.57 0.00 0.00 175.55 173.33 2b3s s HIS 60 N -1.09 3.44 -0.08 2.71 5.65 -1.26 -1.71 115.29 122.95 2b3s s HIS 60 Ca 0.19 0.76 0.03 0.00 0.25 0.00 0.00 55.06 56.28 2b3s s HIS 60 Cb -0.11 -2.17 0.01 0.00 -1.18 0.00 0.00 32.58 29.13 2b3s s HIS 60 CO 0.10 0.31 -0.17 0.08 -0.65 0.00 0.00 174.74 174.41 2b3s s VAL 61 N -1.80 1.52 0.57 0.89 1.01 0.23 -4.84 120.40 117.98 2b3s s VAL 61 Ca 0.45 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 2b3s s VAL 61 Cb -0.11 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2b3s s VAL 61 CO 0.23 0.44 1.16 0.21 0.00 0.00 0.00 175.10 177.14 2b3s s ASN 62 N 0.55 5.51 -0.31 3.32 3.84 -1.26 -4.52 114.94 122.06 2b3s s ASN 62 Ca -0.16 2.24 -0.10 0.00 0.21 0.00 0.00 52.86 55.05 2b3s s ASN 62 Cb -0.17 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 37.94 2b3s s ASN 62 CO 0.06 -1.37 0.17 0.12 -2.79 0.00 0.00 177.10 173.28 2b3s s PHE 63 N -1.74 3.19 -1.69 0.43 5.36 -1.26 -4.60 117.98 117.67 2b3s s PHE 63 Ca 0.74 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2b3s s PHE 63 Cb -0.26 -2.37 0.00 0.00 -0.34 0.00 0.00 43.02 40.05 2b3s s PHE 63 CO 0.30 -0.43 0.00 -1.33 -1.46 0.00 0.00 175.22 172.30 2b3s n MET 64 N 5.01 -1.64 -2.17 10.12 2.81 -1.26 -2.19 117.12 127.79 2b3s n MET 64 Ca -0.14 0.95 -0.17 0.00 -1.81 0.00 0.00 57.70 56.53 2b3s n MET 64 Cb 0.49 -5.44 -0.03 0.00 -0.71 0.00 0.00 33.22 27.54 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 -0.64 0.09 3.75 3.03 0.00 -1.26 -4.97 105.19 105.19 2b3s n GLY 65 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.16 1.84 0.29 -0.02 0.00 -0.93 -4.93 107.32 101.40 2b3s s GLY 66 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 44.72 45.14 2b3s s GLY 66 CO 0.00 0.80 1.88 -0.55 0.00 0.00 0.00 173.10 175.23 2b3s h ASP 67 N -0.93 0.86 -0.32 1.64 3.32 -1.93 -2.65 116.42 116.41 2b3s h ASP 67 Ca -0.44 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.39 2b3s h ASP 67 Cb 1.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2b3s h ASP 67 CO 0.50 0.74 -0.22 0.25 -1.72 0.00 0.00 179.24 178.79 2b3s h LEU 68 N 0.94 0.81 -0.61 1.55 5.85 -1.94 -1.23 115.31 120.67 2b3s h LEU 68 Ca 0.23 -0.29 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 2b3s h LEU 68 Cb 0.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2b3s h LEU 68 CO -0.03 1.01 -0.27 1.23 -0.34 0.00 0.00 178.44 180.04 2b3s h GLY 69 N 0.95 0.88 1.03 3.75 0.00 -1.86 0.62 103.07 108.45 2b3s h GLY 69 Ca 0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 2b3s h GLY 69 CO 0.06 0.72 0.56 1.70 0.00 0.00 0.00 176.54 179.58 2b3s h LYS 70 N 0.70 1.28 -0.50 4.80 3.64 -1.30 -0.35 116.57 124.84 2b3s h LYS 70 Ca 0.09 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 2b3s h LYS 70 Cb 0.80 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2b3s h LYS 70 CO 0.07 0.90 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.70 2b3s h ASP 71 N 1.30 0.87 -0.60 4.20 3.32 -0.74 -1.79 116.42 122.98 2b3s h ASP 71 Ca 0.34 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2b3s h ASP 71 Cb -0.04 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 2b3s h ASP 71 CO -0.06 0.97 0.31 -0.07 -1.72 0.00 0.00 179.24 178.67 2b3s h LEU 72 N 0.74 0.79 -0.66 1.55 3.38 -0.55 0.17 115.31 120.74 2b3s h LEU 72 Ca 0.14 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2b3s h LEU 72 Cb 0.53 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2b3s h LEU 72 CO 0.03 0.66 0.21 0.74 0.09 0.00 0.00 178.44 180.17 2b3s h THR 73 N 0.88 1.25 -0.46 0.22 2.02 -0.84 0.29 112.91 116.28 2b3s h THR 73 Ca 0.22 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.42 2b3s h THR 73 Cb 0.07 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2b3s h THR 73 CO -0.03 0.33 -0.18 -0.61 0.37 0.00 0.00 175.52 175.40 2b3s h GLN 74 N 0.96 0.93 -0.25 6.66 4.15 -0.94 -1.13 115.11 125.50 2b3s h GLN 74 Ca 0.21 -0.39 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 2b3s h GLN 74 Cb 0.30 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2b3s h GLN 74 CO -0.01 1.05 -0.10 0.00 -1.93 0.00 0.00 178.83 177.84 2b3s h ALA 75 N 0.86 1.37 -0.57 3.38 0.00 -0.34 -1.28 119.26 122.67 2b3s h ALA 75 Ca 0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2b3s h ALA 75 Cb 0.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2b3s h ALA 75 CO 0.06 0.43 0.01 2.35 0.00 0.00 0.00 179.25 182.09 2b3s h TRP 76 N 0.38 1.07 -0.77 0.00 2.91 -0.10 -0.28 115.95 119.16 2b3s h TRP 76 Ca 0.08 -0.17 -0.05 0.00 1.13 0.00 0.00 58.89 59.87 2b3s h TRP 76 Cb 0.41 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.74 2b3s h TRP 76 CO 0.01 0.95 0.28 0.00 -1.03 0.00 0.00 178.44 178.65 2b3s h ALA 77 N 1.09 1.03 -0.36 2.65 0.00 -0.57 -0.75 119.26 122.34 2b3s h ALA 77 Ca 0.17 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2b3s h ALA 77 Cb 0.52 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2b3s h ALA 77 CO 0.03 0.67 0.18 0.28 0.00 0.00 0.00 179.25 180.41 2b3s h VAL 78 N 1.14 0.99 -0.66 0.00 2.07 -0.77 0.22 116.25 119.23 2b3s h VAL 78 Ca 0.25 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2b3s h VAL 78 Cb 0.26 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2b3s h VAL 78 CO -0.02 0.07 0.38 0.00 0.02 0.00 0.00 177.57 178.03 2b3s h ALA 79 N 1.19 1.43 -0.19 1.67 0.00 -0.40 0.33 119.26 123.28 2b3s h ALA 79 Ca 0.15 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2b3s h ALA 79 Cb 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2b3s h ALA 79 CO -0.10 0.49 -0.59 0.52 0.00 0.00 0.00 179.25 179.57 2b3s h MET 80 N 0.92 0.62 0.00 0.00 2.86 -0.58 -0.37 114.93 118.38 2b3s h MET 80 Ca 0.24 -0.41 -0.10 0.00 -2.06 0.00 0.00 59.70 57.36 2b3s h MET 80 Cb -0.01 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2b3s h MET 80 CO -0.04 1.03 -0.50 0.00 1.06 0.00 0.00 176.91 178.46 2b3s h ALA 81 N 0.88 1.17 -0.38 6.32 0.00 0.53 -3.14 119.26 124.63 2b3s h ALA 81 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2b3s h ALA 81 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2b3s h ALA 81 CO 0.11 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.27 2b3s n LEU 82 N -3.94 3.26 -2.22 0.00 4.77 0.10 -4.96 117.00 114.02 2b3s n LEU 82 Ca -0.01 -1.42 -0.20 0.00 -0.03 0.00 0.00 56.01 54.35 2b3s n LEU 82 Cb 0.52 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2b3s n LEU 82 CO 0.40 0.71 -0.25 0.61 -1.33 0.00 0.00 177.39 177.53 2b3s n GLY 83 N 1.47 0.04 0.99 -0.72 0.00 -0.80 -4.92 105.19 101.26 2b3s n GLY 83 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.62 2.40 -0.14 1.61 0.24 -0.21 -4.76 118.33 113.84 2b3s n VAL 84 Ca -0.24 -2.22 -0.05 0.00 -2.04 0.00 0.00 64.34 59.80 2b3s n VAL 84 Cb 0.68 -0.29 0.01 0.00 -1.47 0.00 0.00 33.84 32.78 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 1.40 -0.13 -0.14 7.34 3.07 -1.91 -1.72 114.58 122.50 2b3s h GLU 85 Ca 0.10 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.87 2b3s h GLU 85 Cb 1.55 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.48 2b3s h GLU 85 CO 0.30 -0.09 -0.37 -0.44 -1.40 0.00 0.00 179.01 177.01 2b3s h ASP 86 N -0.14 0.30 -0.40 1.42 3.32 -1.93 -0.69 116.42 118.31 2b3s h ASP 86 Ca 0.22 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2b3s h ASP 86 Cb 0.48 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2b3s h ASP 86 CO -0.55 0.65 0.03 0.11 -1.72 0.00 0.00 179.24 177.77 2b3s h LYS 87 N 0.25 0.76 -0.01 3.56 1.57 -1.73 -3.34 116.57 117.64 2b3s h LYS 87 Ca 0.03 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2b3s h LYS 87 Cb 0.77 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2b3s h LYS 87 CO 0.06 0.75 -0.43 1.33 -0.57 0.00 0.00 179.45 180.59 2b3s n VAL 88 N -4.24 0.00 0.22 0.50 0.24 -0.72 -4.54 118.33 109.79 2b3s n VAL 88 Ca 0.03 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 61.89 2b3s n VAL 88 Cb 0.27 1.09 -0.07 0.00 -1.47 0.00 0.00 33.84 33.66 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 0.88 0.48 -0.04 3.34 2.02 -1.25 0.32 112.91 118.66 2b3s h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2b3s h THR 89 Cb 0.40 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2b3s h THR 89 CO 0.00 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.44 2b3s h VAL 90 N -0.59 1.35 -0.83 3.16 2.07 -1.82 0.07 116.25 119.66 2b3s h VAL 90 Ca -0.03 -1.09 0.17 0.00 0.82 0.00 0.00 66.70 66.57 2b3s h VAL 90 Cb 0.50 1.99 -0.11 0.00 -1.52 0.00 0.00 31.29 32.15 2b3s h VAL 90 CO 0.01 0.29 0.36 -0.65 0.02 0.00 0.00 177.57 177.61 2b3s h PRO 91 N -0.32 0.46 -0.17 1.57 0.11 -1.79 0.79 132.00 132.64 2b3s h PRO 91 Ca 0.01 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 2b3s h PRO 91 Cb 0.49 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 2b3s h PRO 91 CO 0.01 0.30 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.98 2b3s h LEU 92 N 0.47 0.34 -0.13 2.35 3.38 -0.79 0.42 115.31 121.35 2b3s h LEU 92 Ca 0.48 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2b3s h LEU 92 Cb 0.78 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2b3s h LEU 92 CO -0.44 0.65 -0.21 0.15 0.09 0.00 0.00 178.44 178.67 2b3s h PHE 93 N 0.02 -0.56 -0.39 1.13 3.57 -0.23 -0.32 116.94 120.16 2b3s h PHE 93 Ca 0.04 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 2b3s h PHE 93 Cb 0.51 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2b3s h PHE 93 CO 0.06 -0.29 0.02 0.93 -2.23 0.00 0.00 178.31 176.79 2b3s h GLU 94 N -0.27 0.62 0.00 1.11 5.08 0.63 0.62 114.58 122.37 2b3s h GLU 94 Ca 0.10 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2b3s h GLU 94 Cb 0.42 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2b3s h GLU 94 CO -0.29 0.63 -0.35 0.78 -1.00 0.00 0.00 179.01 178.78 2b3s h GLY 95 N 0.88 0.00 0.00 -3.84 0.00 -0.34 0.58 103.07 100.36 2b3s h GLY 95 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 2b3s h GLY 95 CO 0.01 0.00 -0.48 -2.08 0.00 0.00 0.00 176.54 173.99 2b3s h VAL 96 N 0.00 0.34 0.15 4.60 2.07 -0.72 0.13 116.25 122.83 2b3s h VAL 96 Ca -0.00 -1.35 -0.34 0.00 0.82 0.00 0.00 66.70 65.83 2b3s h VAL 96 Cb 0.78 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2b3s h VAL 96 CO 0.05 0.12 -1.72 1.56 0.02 0.00 0.00 177.57 177.59 2b3s h GLN 97 N -1.00 0.33 0.00 1.57 4.20 0.28 -3.34 115.11 117.15 2b3s h GLN 97 Ca -0.07 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.09 2b3s h GLN 97 Cb 0.58 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2b3s h GLN 97 CO -0.04 1.22 0.00 1.63 -0.67 0.00 0.00 178.83 180.97 2b3s n LYS 98 N -3.52 0.00 0.21 1.46 5.02 0.18 -4.60 118.16 116.92 2b3s n LYS 98 Ca -0.23 0.11 0.11 0.00 -2.02 0.00 0.00 58.31 56.27 2b3s n LYS 98 Cb 1.06 -0.50 0.29 0.00 -0.02 0.00 0.00 35.03 35.87 2b3s n LYS 98 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2b3s h THR 99 N 0.00 0.29 -5.05 -0.18 1.35 -1.26 -3.47 112.91 104.59 2b3s h THR 99 Ca 0.00 -1.19 -0.40 0.00 -0.55 0.00 0.00 66.41 64.26 2b3s h THR 99 Cb 0.00 1.95 0.02 0.00 -1.73 0.00 0.00 68.15 68.39 2b3s h THR 99 CO 0.00 0.15 -0.61 0.00 -0.25 0.00 0.00 175.52 174.80 2b3s n GLN 100 N -3.18 -4.85 0.00 4.72 6.02 -1.12 -4.87 117.38 114.11 2b3s n GLN 100 Ca 0.02 0.75 0.12 0.00 -0.01 0.00 0.00 57.00 57.89 2b3s n GLN 100 Cb 0.51 -5.60 0.32 0.00 1.02 0.00 0.00 30.24 26.49 2b3s n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2b3s n THR 101 N -4.42 0.03 -2.81 5.09 -2.24 -0.63 -4.72 114.28 104.58 2b3s n THR 101 Ca -0.06 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.27 2b3s n THR 101 Cb 0.58 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 2b3s n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2b3s s ILE 102 N -3.01 4.32 -0.05 2.28 1.01 0.36 -4.78 121.20 121.32 2b3s s ILE 102 Ca 0.11 0.27 0.01 0.00 0.00 0.00 0.00 60.65 61.04 2b3s s ILE 102 Cb 0.18 -4.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.04 2b3s s ILE 102 CO 0.67 -1.20 0.05 0.54 0.00 0.00 0.00 174.94 174.99 2b3s n ARG 103 N 7.66 6.28 -3.83 2.79 5.12 -1.26 -4.76 116.66 128.65 2b3s n ARG 103 Ca 0.02 -0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.88 2b3s n ARG 103 Cb 0.47 -0.58 0.01 0.00 -1.16 0.00 0.00 32.46 31.20 2b3s n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2b3s s SER 104 N -1.16 -0.08 0.21 0.55 1.04 -1.26 -5.01 113.70 107.99 2b3s s SER 104 Ca 0.00 -0.77 -0.10 0.00 0.48 0.00 0.00 55.95 55.57 2b3s s SER 104 Cb 0.01 0.66 0.19 0.00 0.10 0.00 0.00 66.02 66.98 2b3s s SER 104 CO 0.05 -1.28 1.85 0.00 0.98 0.00 0.00 173.24 174.84 2b3s h ALA 105 N 2.00 0.92 -0.51 5.32 0.00 -1.96 -1.15 119.26 123.88 2b3s h ALA 105 Ca -0.27 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2b3s h ALA 105 Cb 1.24 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2b3s h ALA 105 CO 0.33 0.22 0.27 1.03 0.00 0.00 0.00 179.25 181.11 2b3s h SER 106 N 0.87 0.41 -0.30 0.00 0.87 -1.98 0.20 113.55 113.62 2b3s h SER 106 Ca 0.28 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2b3s h SER 106 Cb 0.02 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2b3s h SER 106 CO -0.11 0.28 0.15 0.44 -0.53 0.00 0.00 176.83 177.07 2b3s h ASP 107 N 0.53 0.41 -0.20 6.23 3.32 -1.76 0.04 116.42 124.99 2b3s h ASP 107 Ca 0.22 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 2b3s h ASP 107 Cb 0.10 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2b3s h ASP 107 CO -0.14 0.36 -0.13 0.40 -1.72 0.00 0.00 179.24 178.01 2b3s h ILE 108 N 0.46 1.32 -0.77 0.35 2.04 -0.38 -3.01 117.51 117.51 2b3s h ILE 108 Ca 0.12 -1.24 0.17 0.00 1.00 0.00 0.00 64.86 64.91 2b3s h ILE 108 Cb 0.06 1.69 -0.11 0.00 -0.74 0.00 0.00 36.82 37.72 2b3s h ILE 108 CO -0.02 0.38 0.25 -0.09 0.00 0.00 0.00 178.15 178.67 2b3s h ARG 109 N 0.14 0.33 -0.66 2.37 2.43 0.05 -2.18 114.38 116.86 2b3s h ARG 109 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2b3s h ARG 109 Cb 0.64 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2b3s h ARG 109 CO 0.04 0.22 0.38 -0.44 -1.51 0.00 0.00 179.97 178.66 2b3s h ASP 110 N 0.34 0.80 -0.66 -3.80 3.32 -0.90 -1.19 116.42 114.33 2b3s h ASP 110 Ca 0.44 -0.07 0.11 0.00 0.02 0.00 0.00 57.03 57.53 2b3s h ASP 110 Cb 0.75 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.02 2b3s h ASP 110 CO -0.49 0.64 0.25 0.58 -1.72 0.00 0.00 179.24 178.50 2b3s h VAL 111 N 0.89 0.72 -0.43 -1.35 2.07 -1.28 0.94 116.25 117.82 2b3s h VAL 111 Ca 0.23 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 2b3s h VAL 111 Cb -0.00 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2b3s h VAL 111 CO -0.04 0.08 -0.10 -0.26 0.02 0.00 0.00 177.57 177.26 2b3s h PHE 112 N 0.41 0.83 0.53 1.57 0.04 -1.06 -2.88 116.94 116.37 2b3s h PHE 112 Ca 0.35 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 2b3s h PHE 112 Cb 0.47 -0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.41 2b3s h PHE 112 CO -0.18 0.82 -0.25 0.82 -0.60 0.00 0.00 178.31 178.93 2b3s h ILE 113 N 0.69 0.00 0.00 -0.55 2.04 -0.15 -1.16 117.51 118.37 2b3s h ILE 113 Ca 0.12 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2b3s h ILE 113 Cb 0.57 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2b3s h ILE 113 CO 0.04 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.99 2b3s n ASN 114 N -5.19 0.22 -0.27 1.72 2.85 0.32 0.11 115.26 115.02 2b3s n ASN 114 Ca -0.09 -0.40 0.00 0.00 -0.11 0.00 0.00 54.58 53.98 2b3s n ASN 114 Cb 0.28 -0.10 0.00 0.00 1.24 0.00 0.00 39.78 41.20 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 0.42 1.53 0.00 5.20 0.00 -1.09 -4.96 120.51 121.61 2b3s n ALA 115 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2b3s n ALA 115 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 0.00 1.11 3.74 0.00 0.00 0.12 -5.01 105.19 105.14 2b3s n GLY 116 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 5.38 0.49 -0.61 1.09 -0.45 -5.01 121.20 120.09 2b3s s ILE 117 Ca 0.00 0.31 -0.23 0.00 -1.10 0.00 0.00 60.65 59.63 2b3s s ILE 117 Cb 0.00 -3.52 -0.06 0.00 -1.06 0.00 0.00 42.46 37.82 2b3s s ILE 117 CO 0.00 0.44 1.26 -0.54 -0.10 0.00 0.00 174.94 176.00 2b3s s LYS 118 N 0.29 3.51 0.22 2.79 1.02 -1.26 -3.64 119.74 122.67 2b3s s LYS 118 Ca 0.11 2.00 -0.08 0.00 0.02 0.00 0.00 55.97 58.02 2b3s s LYS 118 Cb -0.12 -2.37 0.29 0.00 -0.52 0.00 0.00 37.83 35.11 2b3s s LYS 118 CO 0.00 -0.82 1.78 0.78 -0.92 0.00 0.00 175.35 176.18 2b3s h GLY 119 N 1.85 1.00 1.89 -3.33 0.00 -1.95 -0.98 103.07 101.56 2b3s h GLY 119 Ca -0.50 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 2b3s h GLY 119 CO 0.59 0.08 -0.20 0.83 0.00 0.00 0.00 176.54 177.84 2b3s h GLU 120 N 0.60 0.13 -0.09 4.80 5.08 -1.99 -0.64 114.58 122.47 2b3s h GLU 120 Ca 0.33 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.45 2b3s h GLU 120 Cb 0.31 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.55 2b3s h GLU 120 CO -0.24 0.34 -0.71 0.93 -1.00 0.00 0.00 179.01 178.32 2b3s h GLU 121 N 0.12 0.64 -0.68 2.33 5.08 -1.68 -2.09 114.58 118.31 2b3s h GLU 121 Ca 0.02 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 2b3s h GLU 121 Cb 0.44 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2b3s h GLU 121 CO 0.03 1.18 0.39 -0.92 -1.00 0.00 0.00 179.01 178.70 2b3s h TYR 122 N 0.29 0.92 -0.51 4.33 3.20 -1.04 -1.97 116.97 122.17 2b3s h TYR 122 Ca -0.06 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 2b3s h TYR 122 Cb 1.36 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 2b3s h TYR 122 CO 0.11 0.64 0.15 -0.44 -1.64 0.00 0.00 178.16 176.98 2b3s h ASP 123 N 0.93 0.75 -0.33 -2.11 3.32 -1.13 -0.40 116.42 117.45 2b3s h ASP 123 Ca 0.24 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2b3s h ASP 123 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2b3s h ASP 123 CO -0.04 0.77 0.22 0.00 -1.72 0.00 0.00 179.24 178.46 2b3s h ALA 124 N 1.02 0.42 -0.04 3.45 0.00 -1.27 -2.11 119.26 120.74 2b3s h ALA 124 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2b3s h ALA 124 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2b3s h ALA 124 CO -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 179.25 179.15 2b3s h ALA 125 N 1.13 0.05 -0.86 0.00 0.00 -1.24 -2.42 119.26 115.91 2b3s h ALA 125 Ca 0.12 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.18 2b3s h ALA 125 Cb -0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.62 2b3s h ALA 125 CO -0.03 -0.42 0.40 2.35 0.00 0.00 0.00 179.25 181.55 2b3s h TRP 126 N -0.00 0.69 -0.35 0.00 2.91 -0.91 -0.29 115.95 118.00 2b3s h TRP 126 Ca 0.01 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.07 2b3s h TRP 126 Cb 0.06 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.53 2b3s h TRP 126 CO -0.06 0.07 0.00 0.09 -1.03 0.00 0.00 178.44 177.52 2b3s n ASN 127 N -4.96 2.27 -4.88 2.65 3.02 -0.81 -4.75 115.26 107.81 2b3s n ASN 127 Ca 0.19 -1.91 -0.30 0.00 -0.03 0.00 0.00 54.58 52.53 2b3s n ASN 127 Cb 0.53 -0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.23 6.21 0.38 6.41 1.04 -0.12 -4.97 113.70 121.42 2b3s s SER 128 Ca 0.31 1.32 0.10 0.00 0.48 0.00 0.00 55.95 58.16 2b3s s SER 128 Cb 0.17 -2.41 0.77 0.00 0.10 0.00 0.00 66.02 64.66 2b3s s SER 128 CO 0.23 -0.83 1.90 -0.26 0.98 0.00 0.00 173.24 175.26 2b3s h PHE 129 N -0.23 0.21 -0.21 5.02 0.04 -1.91 -2.61 116.94 117.26 2b3s h PHE 129 Ca -0.45 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.30 2b3s h PHE 129 Cb 1.20 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.28 2b3s h PHE 129 CO 0.64 0.37 0.12 0.28 -0.60 0.00 0.00 178.31 179.12 2b3s h VAL 130 N 0.19 1.09 -0.48 -0.55 2.07 -1.93 -1.50 116.25 115.14 2b3s h VAL 130 Ca 0.04 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 2b3s h VAL 130 Cb 0.42 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2b3s h VAL 130 CO 0.03 0.09 -0.11 0.58 0.02 0.00 0.00 177.57 178.18 2b3s h VAL 131 N 0.24 1.27 -0.42 2.57 2.07 -1.75 -1.17 116.25 119.06 2b3s h VAL 131 Ca 0.07 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.38 2b3s h VAL 131 Cb 0.04 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2b3s h VAL 131 CO -0.01 0.43 0.21 0.50 0.02 0.00 0.00 177.57 178.72 2b3s h LYS 132 N 0.77 0.42 -0.43 1.57 3.64 -1.36 0.13 116.57 121.31 2b3s h LYS 132 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2b3s h LYS 132 Cb 0.66 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2b3s h LYS 132 CO 0.05 0.28 0.28 1.03 -2.27 0.00 0.00 179.45 178.81 2b3s h SER 133 N 0.43 0.50 -0.48 4.20 0.87 -1.18 -1.86 113.55 116.04 2b3s h SER 133 Ca 0.18 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2b3s h SER 133 Cb 0.08 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 2b3s h SER 133 CO -0.12 0.38 0.09 -0.07 -0.53 0.00 0.00 176.83 176.57 2b3s h LEU 134 N 0.58 0.80 -0.47 2.23 3.38 -0.69 -0.05 115.31 121.08 2b3s h LEU 134 Ca 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2b3s h LEU 134 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2b3s h LEU 134 CO -0.03 0.81 0.23 0.58 0.09 0.00 0.00 178.44 180.12 2b3s h VAL 135 N 0.80 1.19 -0.53 1.22 2.07 -0.54 -1.98 116.25 118.49 2b3s h VAL 135 Ca 0.17 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2b3s h VAL 135 Cb 0.36 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2b3s h VAL 135 CO 0.01 0.21 0.29 0.00 0.02 0.00 0.00 177.57 178.09 2b3s h ALA 136 N 1.07 0.67 -0.66 1.67 0.00 -0.78 -2.77 119.26 118.48 2b3s h ALA 136 Ca 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2b3s h ALA 136 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2b3s h ALA 136 CO -0.02 0.20 0.25 1.96 0.00 0.00 0.00 179.25 181.64 2b3s h GLN 137 N 0.70 0.97 -0.26 0.00 4.20 -0.95 0.31 115.11 120.08 2b3s h GLN 137 Ca 0.18 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2b3s h GLN 137 Cb 0.05 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2b3s h GLN 137 CO -0.03 0.80 0.12 1.96 -0.67 0.00 0.00 178.83 181.00 2b3s h GLN 138 N 0.95 0.39 -0.44 1.46 4.20 -1.24 -0.16 115.11 120.26 2b3s h GLN 138 Ca 0.22 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 2b3s h GLN 138 Cb 0.20 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2b3s h GLN 138 CO -0.02 0.40 0.03 0.93 -0.67 0.00 0.00 178.83 179.50 2b3s h GLU 139 N 0.28 0.76 -0.25 1.46 5.08 -1.26 -2.81 114.58 117.83 2b3s h GLU 139 Ca 0.09 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2b3s h GLU 139 Cb 0.15 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2b3s h GLU 139 CO -0.01 0.81 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.41 2b3s h LYS 140 N 0.60 0.56 -0.64 2.33 1.63 -0.88 -2.21 116.57 117.96 2b3s h LYS 140 Ca 0.13 -0.27 0.11 0.00 -0.85 0.00 0.00 60.65 59.77 2b3s h LYS 140 Cb 0.44 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.99 2b3s h LYS 140 CO 0.02 0.85 0.21 0.00 -3.45 0.00 0.00 179.45 177.08 2b3s h ALA 141 N 0.70 0.83 -0.66 5.00 0.00 -1.04 0.36 119.26 124.45 2b3s h ALA 141 Ca 0.05 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2b3s h ALA 141 Cb 0.71 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2b3s h ALA 141 CO 0.05 -0.23 0.11 0.00 0.00 0.00 0.00 179.25 179.18 2b3s h ALA 142 N 1.47 0.95 -0.13 0.00 0.00 -1.38 -1.45 119.26 118.73 2b3s h ALA 142 Ca 0.34 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2b3s h ALA 142 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2b3s h ALA 142 CO -0.36 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.59 2b3s h ALA 143 N 1.10 0.14 -0.44 0.00 0.00 -0.75 -0.81 119.26 118.50 2b3s h ALA 143 Ca 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2b3s h ALA 143 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2b3s h ALA 143 CO 0.01 -0.41 0.24 -0.44 0.00 0.00 0.00 179.25 178.66 2b3s h ASP 144 N 0.10 0.55 -0.04 0.00 3.32 0.05 -1.40 116.42 119.01 2b3s h ASP 144 Ca 0.05 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2b3s h ASP 144 Cb 0.03 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2b3s h ASP 144 CO -0.06 0.48 0.00 1.33 -1.72 0.00 0.00 179.24 179.27 2b3s n VAL 145 N -4.70 0.05 -3.94 -1.35 0.24 -0.58 -4.91 118.33 103.13 2b3s n VAL 145 Ca 0.01 -0.07 -0.33 0.00 -2.04 0.00 0.00 64.34 61.91 2b3s n VAL 145 Cb 0.08 -0.14 -0.00 0.00 -1.47 0.00 0.00 33.84 32.31 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 -1.66 -1.67 7.34 6.02 -0.53 -4.79 117.38 121.55 2b3s n GLN 146 Ca 0.13 0.31 -0.49 0.00 -0.01 0.00 0.00 57.00 56.94 2b3s n GLN 146 Cb 0.11 -3.83 -0.05 0.00 1.02 0.00 0.00 30.24 27.49 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 -4.51 3.03 -0.52 1.08 7.94 -0.33 -4.88 117.00 118.81 2b3s n LEU 147 Ca -0.20 1.04 0.05 0.00 -1.11 0.00 0.00 56.01 55.79 2b3s n LEU 147 Cb 0.63 -1.35 0.11 0.00 0.53 0.00 0.00 43.42 43.33 2b3s n LEU 147 CO 0.74 -0.28 0.55 0.54 -1.11 0.00 0.00 177.39 177.83 2b3s n ARG 148 N 4.84 2.09 0.00 1.96 1.74 -1.26 -5.03 116.66 121.00 2b3s n ARG 148 Ca 0.20 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.57 2b3s n ARG 148 Cb 0.27 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.47 2.08 3.17 -0.13 0.00 -1.26 -5.15 105.19 104.36 2b3s n GLY 149 Ca 0.09 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 1.13 0.69 1.61 -7.23 -1.26 -4.19 120.40 109.15 2b3s s VAL 150 Ca 0.00 -1.30 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 2b3s s VAL 150 Cb 0.00 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.86 2b3s s VAL 150 CO 0.00 -0.21 1.07 -2.16 -0.31 0.00 0.00 175.10 173.49 2b3s s PRO 151 N -1.72 2.84 -0.01 4.82 0.04 -1.26 -5.02 135.00 134.68 2b3s s PRO 151 Ca -0.02 1.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 2b3s s PRO 151 Cb -0.10 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.50 2b3s s PRO 151 CO 0.02 -1.18 0.41 0.00 0.04 0.00 0.00 177.00 176.29 2b3s s ALA 152 N -2.87 -1.05 0.00 8.56 0.00 -1.10 -5.01 121.76 120.29 2b3s s ALA 152 Ca 0.60 0.56 0.01 0.00 0.00 0.00 0.00 51.96 53.13 2b3s s ALA 152 Cb -0.15 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 2b3s s ALA 152 CO 0.51 -0.31 -0.02 1.41 0.00 0.00 0.00 175.76 177.34 2b3s s MET 153 N -1.46 0.20 -0.03 0.00 1.75 -1.26 -0.77 119.30 117.73 2b3s s MET 153 Ca -0.12 -0.14 0.02 0.00 -1.25 0.00 0.00 55.69 54.21 2b3s s MET 153 Cb -0.03 -0.16 0.01 0.00 2.84 0.00 0.00 34.83 37.49 2b3s s MET 153 CO 0.05 0.04 -0.07 -0.06 -0.65 0.00 0.00 175.02 174.33 2b3s s PHE 154 N -0.19 0.80 -0.11 4.11 0.08 0.59 -0.85 117.98 122.41 2b3s s PHE 154 Ca -0.01 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 2b3s s PHE 154 Cb -0.02 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.80 2b3s s PHE 154 CO -0.00 -0.11 -0.06 0.08 -0.10 0.00 0.00 175.22 175.03 2b3s s VAL 155 N 0.33 3.72 -1.46 -0.44 1.01 0.89 -0.89 120.40 123.57 2b3s s VAL 155 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2b3s s VAL 155 Cb -0.09 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2b3s s VAL 155 CO 0.00 0.54 0.00 0.59 0.00 0.00 0.00 175.10 176.24 2b3s n ASN 156 N 2.95 -4.25 0.00 3.32 3.02 0.96 -0.77 115.26 120.49 2b3s n ASN 156 Ca -0.18 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2b3s n ASN 156 Cb 0.53 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 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 -0.15 0.66 0.01 7.41 0.00 -1.26 -4.78 105.19 107.08 2b3s n GLY 157 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.11 1.84 -5.14 1.61 5.02 0.05 0.06 118.16 119.48 2b3s n LYS 158 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 2b3s n LYS 158 Cb 0.03 -1.02 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.02 2.56 -0.21 2.13 2.02 -0.60 0.23 117.35 121.46 2b3s s TYR 159 Ca -0.01 -0.74 -0.05 0.00 -0.37 0.00 0.00 57.07 55.90 2b3s s TYR 159 Cb 0.00 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2b3s s TYR 159 CO 0.03 -0.23 0.00 -1.14 -1.57 0.00 0.00 175.55 172.64 2b3s s GLN 160 N 0.00 3.58 0.20 -0.62 0.74 0.13 -0.08 119.66 123.61 2b3s s GLN 160 Ca -0.07 -0.53 -0.31 0.00 0.05 0.00 0.00 55.36 54.49 2b3s s GLN 160 Cb -0.15 -3.10 -0.10 0.00 1.10 0.00 0.00 33.01 30.77 2b3s s GLN 160 CO 0.05 -0.05 1.47 -0.51 -0.55 0.00 0.00 175.29 175.70 2b3s s LEU 161 N 1.17 4.38 -0.58 3.68 2.01 -0.03 -0.26 118.68 129.05 2b3s s LEU 161 Ca 0.03 2.59 0.03 0.00 0.01 0.00 0.00 54.13 56.78 2b3s s LEU 161 Cb -0.14 -3.61 0.14 0.00 0.01 0.00 0.00 46.19 42.59 2b3s s LEU 161 CO 0.01 -0.73 0.34 0.21 1.01 0.00 0.00 176.35 177.20 2b3s s ASN 162 N 0.74 4.61 0.00 2.29 2.47 -0.11 -4.76 114.94 120.18 2b3s s ASN 162 Ca 0.64 -3.13 0.00 0.00 0.42 0.00 0.00 52.86 50.79 2b3s s ASN 162 Cb -0.41 -1.69 0.00 0.00 -1.45 0.00 0.00 41.25 37.70 2b3s s ASN 162 CO 0.37 -0.23 0.23 -0.81 -3.72 0.00 0.00 177.10 172.93 2b3s n PRO 163 N 2.99 0.23 -0.08 0.43 -0.04 -1.26 -2.93 135.00 134.35 2b3s n PRO 163 Ca 0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 2b3s n PRO 163 Cb 0.34 -1.00 -0.14 0.00 -0.04 0.00 0.00 33.50 32.65 2b3s n PRO 163 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2b3s n GLN 164 N -0.47 0.68 0.00 0.54 1.13 -1.26 -3.85 117.38 114.15 2b3s n GLN 164 Ca 0.00 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2b3s n GLN 164 Cb 0.00 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.75 2b3s n GLN 164 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2b3s n GLY 165 N 1.89 1.00 3.11 1.08 0.00 -1.15 -4.66 105.19 106.46 2b3s n GLY 165 Ca -0.33 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.73 0.66 -0.63 1.61 -1.94 -1.25 -4.25 119.30 112.76 2b3s s MET 166 Ca 0.00 -1.00 -0.26 0.00 -1.71 0.00 0.00 55.69 52.71 2b3s s MET 166 Cb 0.00 -0.25 0.04 0.00 2.01 0.00 0.00 34.83 36.63 2b3s s MET 166 CO 0.00 0.02 1.14 0.34 -0.01 0.00 0.00 175.02 176.51 2b3s s ASP 167 N -2.21 6.31 -0.09 3.03 2.15 -1.26 -4.90 116.67 119.71 2b3s s ASP 167 Ca -0.01 -0.27 0.13 0.00 0.43 0.00 0.00 52.55 52.83 2b3s s ASP 167 Cb -0.03 -2.52 0.52 0.00 -0.30 0.00 0.00 42.92 40.59 2b3s s ASP 167 CO -0.02 -1.53 1.39 0.35 -0.17 0.00 0.00 175.17 175.19 2b3s n THR 168 N 6.41 1.34 0.12 1.71 -2.24 -1.26 -3.39 114.28 116.96 2b3s n THR 168 Ca 0.04 -0.85 -0.20 0.00 -2.27 0.00 0.00 64.05 60.77 2b3s n THR 168 Cb 0.48 -0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.56 2b3s n THR 168 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2b3s h SER 169 N 2.95 0.61 -3.61 3.42 4.64 -2.00 -3.42 113.55 116.14 2b3s h SER 169 Ca 0.00 -0.66 -0.68 0.00 -0.47 0.00 0.00 61.79 59.98 2b3s h SER 169 Cb 1.13 -0.20 -0.25 0.00 -0.31 0.00 0.00 62.40 62.77 2b3s h SER 169 CO 0.18 1.52 -0.60 0.21 -0.87 0.00 0.00 176.83 177.26 2b3s s ASN 170 N -7.33 5.23 0.29 4.97 3.84 -1.26 -5.02 114.94 115.67 2b3s s ASN 170 Ca -0.07 -0.66 -0.01 0.00 0.21 0.00 0.00 52.86 52.34 2b3s s ASN 170 Cb 0.06 -1.91 0.44 0.00 -0.55 0.00 0.00 41.25 39.29 2b3s s ASN 170 CO 0.91 -0.19 1.88 0.24 -2.79 0.00 0.00 177.10 177.15 2b3s h MET 171 N 8.26 0.88 0.02 0.43 2.86 -1.86 -0.95 114.93 124.58 2b3s h MET 171 Ca -0.32 -0.13 -0.22 0.00 -2.06 0.00 0.00 59.70 56.97 2b3s h MET 171 Cb 1.13 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 2b3s h MET 171 CO 0.61 0.71 -0.96 -0.44 1.06 0.00 0.00 176.91 177.88 2b3s h ASP 172 N 0.87 0.40 0.10 1.22 3.32 -1.95 0.01 116.42 120.41 2b3s h ASP 172 Ca 0.21 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2b3s h ASP 172 Cb 0.15 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2b3s h ASP 172 CO -0.02 1.16 -0.05 0.58 -1.72 0.00 0.00 179.24 179.19 2b3s h VAL 173 N 0.16 0.96 -0.41 -1.35 2.07 -1.86 -2.35 116.25 113.48 2b3s h VAL 173 Ca -0.07 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.29 2b3s h VAL 173 Cb 1.61 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.43 2b3s h VAL 173 CO 0.16 0.06 0.02 0.15 0.02 0.00 0.00 177.57 177.98 2b3s h PHE 174 N -0.24 0.02 -0.32 1.57 3.57 -0.98 -0.81 116.94 119.76 2b3s h PHE 174 Ca -0.01 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 2b3s h PHE 174 Cb 0.20 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2b3s h PHE 174 CO -0.04 -0.05 -0.27 0.28 -2.23 0.00 0.00 178.31 175.99 2b3s h VAL 175 N 0.14 1.28 -0.16 1.41 2.07 -1.01 0.13 116.25 120.10 2b3s h VAL 175 Ca 0.20 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2b3s h VAL 175 Cb 0.27 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2b3s h VAL 175 CO -0.31 0.45 0.08 -0.61 0.02 0.00 0.00 177.57 177.19 2b3s h GLN 176 N 0.56 0.23 -0.63 1.57 5.75 -1.01 0.82 115.11 122.40 2b3s h GLN 176 Ca 0.07 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 2b3s h GLN 176 Cb 0.76 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 2b3s h GLN 176 CO 0.06 0.28 0.18 1.96 -2.65 0.00 0.00 178.83 178.66 2b3s h GLN 177 N 0.13 0.96 0.06 1.69 4.20 -0.92 -0.46 115.11 120.77 2b3s h GLN 177 Ca 0.06 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 2b3s h GLN 177 Cb 0.13 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2b3s h GLN 177 CO -0.01 0.84 -0.03 -0.92 -0.67 0.00 0.00 178.83 178.04 2b3s h TYR 178 N 0.93 -0.08 -0.67 2.96 3.20 -0.51 -1.53 116.97 121.27 2b3s h TYR 178 Ca 0.20 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2b3s h TYR 178 Cb 0.29 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 2b3s h TYR 178 CO 0.02 0.21 0.28 0.00 -1.64 0.00 0.00 178.16 177.03 2b3s h ALA 179 N 0.56 0.87 -0.67 1.82 0.00 -0.73 -2.54 119.26 118.56 2b3s h ALA 179 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2b3s h ALA 179 Cb 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2b3s h ALA 179 CO 0.01 0.47 0.33 -0.44 0.00 0.00 0.00 179.25 179.63 2b3s h ASP 180 N 0.94 0.87 -0.15 0.00 3.32 -1.00 -2.19 116.42 118.21 2b3s h ASP 180 Ca 0.22 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.19 2b3s h ASP 180 Cb 0.18 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 2b3s h ASP 180 CO -0.02 0.75 -0.08 0.74 -1.72 0.00 0.00 179.24 178.91 2b3s h THR 181 N 0.93 0.74 -0.78 0.35 2.02 -1.17 -1.15 112.91 113.86 2b3s h THR 181 Ca 0.23 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.44 2b3s h THR 181 Cb 0.10 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 2b3s h THR 181 CO -0.03 0.00 0.50 0.58 0.37 0.00 0.00 175.52 176.94 2b3s h VAL 182 N -0.08 1.14 -0.43 3.16 2.07 -1.17 0.19 116.25 121.13 2b3s h VAL 182 Ca 0.09 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2b3s h VAL 182 Cb 0.20 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 2b3s h VAL 182 CO -0.20 0.18 0.28 0.50 0.02 0.00 0.00 177.57 178.36 2b3s h LYS 183 N 0.99 0.57 -0.36 1.57 3.64 -1.25 -1.77 116.57 119.97 2b3s h LYS 183 Ca 0.30 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2b3s h LYS 183 Cb -0.03 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2b3s h LYS 183 CO -0.10 0.38 0.19 -0.92 -2.27 0.00 0.00 179.45 176.74 2b3s h TYR 184 N 0.58 0.50 -0.55 1.91 3.20 -0.38 -2.15 116.97 120.08 2b3s h TYR 184 Ca 0.16 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2b3s h TYR 184 Cb -0.06 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 2b3s h TYR 184 CO -0.04 0.40 0.14 -0.07 -1.64 0.00 0.00 178.16 176.95 2b3s h LEU 185 N 0.45 0.79 -1.10 2.82 3.38 -0.85 -2.22 115.31 118.57 2b3s h LEU 185 Ca 0.13 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2b3s h LEU 185 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2b3s h LEU 185 CO -0.02 0.77 -0.40 0.77 0.09 0.00 0.00 178.44 179.65 2b3s h SER 186 N 0.81 0.00 -0.03 -0.43 4.64 -0.96 -2.21 113.55 115.37 2b3s h SER 186 Ca 0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2b3s h SER 186 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2b3s h SER 186 CO -0.00 0.40 0.01 -0.62 -0.87 0.00 0.00 176.83 175.74 2b3s n GLU 187 N -3.76 1.12 0.00 4.77 1.02 -0.84 -5.08 120.64 117.87 2b3s n GLU 187 Ca -0.01 -0.13 0.10 0.00 -0.02 0.00 0.00 57.16 57.10 2b3s n GLU 187 Cb 0.47 -1.33 0.08 0.00 -0.02 0.00 0.00 31.44 30.65 2b3s n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94