#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9a h PRO 11 N 0.00 0.00 -3.71 0.00 0.11 -1.90 -3.43 132.00 123.08 2b9a h PRO 11 Ca 0.00 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.72 2b9a h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 30.75 2b9a h PRO 11 CO 0.00 0.85 -0.76 -1.17 -0.21 0.00 0.00 178.00 176.71 2b9a s LEU 12 N -6.86 0.82 0.03 2.35 2.96 -1.26 0.10 118.68 116.82 2b9a s LEU 12 Ca 0.01 -0.05 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 2b9a s LEU 12 Cb 0.10 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 2b9a s LEU 12 CO 0.80 -0.15 -0.17 -0.32 -1.32 0.00 0.00 176.35 175.19 2b9a s MET 13 N 1.54 1.19 -0.03 1.98 -2.45 -0.23 -4.49 119.30 116.80 2b9a s MET 13 Ca -0.02 -0.79 0.05 0.00 -1.25 0.00 0.00 55.69 53.68 2b9a s MET 13 Cb -0.13 -1.23 -0.03 0.00 1.25 0.00 0.00 34.83 34.69 2b9a s MET 13 CO -0.03 0.32 -0.17 0.08 1.05 0.00 0.00 175.02 176.27 2b9a s VAL 14 N -0.72 2.87 -0.03 10.11 1.01 -0.67 -0.89 120.40 132.09 2b9a s VAL 14 Ca 0.05 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2b9a s VAL 14 Cb -0.08 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2b9a s VAL 14 CO 0.01 0.56 -0.08 -0.75 0.00 0.00 0.00 175.10 174.84 2b9a s LYS 15 N -0.80 0.91 -0.06 2.72 2.20 -0.33 -0.79 119.74 123.59 2b9a s LYS 15 Ca 0.12 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.47 2b9a s LYS 15 Cb -0.10 -0.86 0.02 0.00 -1.51 0.00 0.00 37.83 35.38 2b9a s LYS 15 CO 0.01 0.09 -0.08 0.08 -0.36 0.00 0.00 175.35 175.09 2b9a s VAL 16 N 0.26 0.82 0.17 4.02 1.01 0.40 -0.94 120.40 126.13 2b9a s VAL 16 Ca -0.04 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.77 2b9a s VAL 16 Cb -0.09 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2b9a s VAL 16 CO 0.00 0.29 -0.23 -0.76 0.00 0.00 0.00 175.10 174.41 2b9a s LEU 17 N 0.89 2.41 -0.25 3.92 1.43 -0.33 -1.13 118.68 125.63 2b9a s LEU 17 Ca -0.11 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 2b9a s LEU 17 Cb -0.15 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 2b9a s LEU 17 CO 0.01 0.09 0.03 -0.62 0.23 0.00 0.00 176.35 176.09 2b9a s ASP 18 N -2.53 4.85 0.19 2.29 -1.08 0.67 -0.56 116.67 120.49 2b9a s ASP 18 Ca 0.17 -0.34 0.25 0.00 -0.52 0.00 0.00 52.55 52.12 2b9a s ASP 18 Cb -0.08 -1.85 0.65 0.00 -1.46 0.00 0.00 42.92 40.18 2b9a s ASP 18 CO 0.08 -0.05 1.63 0.00 0.52 0.00 0.00 175.17 177.35 2b9a n ALA 19 N 4.87 2.48 -0.09 3.66 0.00 0.50 -1.30 120.51 130.63 2b9a n ALA 19 Ca -0.17 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 52.99 2b9a n ALA 19 Cb 0.51 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 2b9a n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2b9a h VAL 20 N 0.00 1.02 0.00 0.00 2.07 -1.94 -3.39 116.25 114.01 2b9a h VAL 20 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 2b9a h VAL 20 Cb 0.75 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2b9a h VAL 20 CO 0.00 0.34 -0.58 0.54 0.02 0.00 0.00 177.57 177.89 2b9a n ARG 21 N -4.49 0.29 -3.02 1.57 1.74 -1.25 -4.99 116.66 106.52 2b9a n ARG 21 Ca -0.26 0.10 -0.12 0.00 -0.77 0.00 0.00 57.85 56.80 2b9a n ARG 21 Cb 0.60 -1.70 0.06 0.00 -1.02 0.00 0.00 32.46 30.41 2b9a n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b9a n GLY 22 N 1.33 -0.25 3.21 -0.13 0.00 -0.42 -5.04 105.19 103.89 2b9a n GLY 22 Ca 0.03 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2b9a n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b9a s SER 23 N -3.88 0.08 0.58 1.61 1.04 -1.10 -5.00 113.70 107.02 2b9a s SER 23 Ca 0.07 -0.55 -0.20 0.00 0.48 0.00 0.00 55.95 55.74 2b9a s SER 23 Cb -0.01 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2b9a s SER 23 CO 0.55 -0.69 1.19 -2.65 0.98 0.00 0.00 173.24 172.61 2b9a n PRO 24 N 0.12 1.27 -3.10 4.02 -0.02 -1.26 -0.24 135.00 135.79 2b9a n PRO 24 Ca -0.16 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 2b9a n PRO 24 Cb 0.62 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 2b9a n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b9a s ALA 25 N -1.38 3.34 0.15 3.55 0.00 -0.28 -4.55 121.76 122.59 2b9a s ALA 25 Ca 0.75 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 2b9a s ALA 25 Cb -0.42 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 2b9a s ALA 25 CO 0.47 -2.04 0.39 0.42 0.00 0.00 0.00 175.76 174.99 2b9a s ILE 26 N 2.87 5.16 -1.75 0.00 1.01 -1.26 -4.33 121.20 122.89 2b9a s ILE 26 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 2b9a s ILE 26 Cb -0.17 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2b9a s ILE 26 CO 0.14 0.02 0.11 0.59 0.00 0.00 0.00 174.94 175.80 2b9a n ASN 27 N 0.04 -5.97 -4.73 3.58 5.03 -0.14 -4.91 115.26 108.16 2b9a n ASN 27 Ca -0.02 -0.07 -0.39 0.00 0.87 0.00 0.00 54.58 54.97 2b9a n ASN 27 Cb 0.52 -4.94 -0.05 0.00 -1.02 0.00 0.00 39.78 34.28 2b9a n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2b9a s VAL 28 N -3.07 4.99 0.22 2.41 1.01 -1.26 -4.70 120.40 120.00 2b9a s VAL 28 Ca 0.05 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 2b9a s VAL 28 Cb -0.02 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 2b9a s VAL 28 CO 0.07 0.30 1.08 0.00 0.00 0.00 0.00 175.10 176.55 2b9a s ALA 29 N 0.49 3.38 -0.05 5.51 0.00 -1.26 -1.06 121.76 128.76 2b9a s ALA 29 Ca 0.36 0.83 0.01 0.00 0.00 0.00 0.00 51.96 53.15 2b9a s ALA 29 Cb -0.18 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.63 2b9a s ALA 29 CO 0.18 -0.15 -0.05 0.08 0.00 0.00 0.00 175.76 175.82 2b9a s VAL 30 N -0.68 0.61 -0.03 0.00 1.01 -0.58 -0.50 120.40 120.21 2b9a s VAL 30 Ca 0.47 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.37 2b9a s VAL 30 Cb -0.30 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2b9a s VAL 30 CO 0.37 0.25 -0.21 -1.00 0.00 0.00 0.00 175.10 174.51 2b9a s HIS 31 N 1.09 1.97 -0.08 5.22 3.76 -0.24 -1.68 115.29 125.33 2b9a s HIS 31 Ca -0.08 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.37 2b9a s HIS 31 Cb -0.14 -1.29 -0.02 0.00 1.11 0.00 0.00 32.58 32.24 2b9a s HIS 31 CO -0.01 -0.11 -0.13 0.08 -0.85 0.00 0.00 174.74 173.72 2b9a s VAL 32 N -0.27 3.14 0.03 -0.90 1.01 0.21 0.26 120.40 123.87 2b9a s VAL 32 Ca 0.02 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.40 2b9a s VAL 32 Cb -0.10 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2b9a s VAL 32 CO 0.01 0.57 -0.21 -0.36 0.00 0.00 0.00 175.10 175.11 2b9a s PHE 33 N -0.32 1.82 -0.06 5.22 0.40 0.35 -0.39 117.98 124.99 2b9a s PHE 33 Ca 0.03 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.98 2b9a s PHE 33 Cb -0.13 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 2b9a s PHE 33 CO 0.03 0.07 0.01 0.50 0.70 0.00 0.00 175.22 176.53 2b9a s ARG 34 N -1.07 2.94 -0.01 0.44 3.52 0.07 -0.79 118.95 124.06 2b9a s ARG 34 Ca 0.07 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 2b9a s ARG 34 Cb -0.09 -2.77 -0.05 0.00 -1.56 0.00 0.00 34.95 30.48 2b9a s ARG 34 CO 0.01 0.68 1.37 0.21 -0.81 0.00 0.00 175.30 176.76 2b9a s LYS 35 N -1.14 4.29 0.58 5.12 2.20 0.28 -1.14 119.74 129.94 2b9a s LYS 35 Ca 0.16 1.92 -0.04 0.00 -0.36 0.00 0.00 55.97 57.65 2b9a s LYS 35 Cb -0.11 -3.57 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 2b9a s LYS 35 CO 0.05 -0.56 0.87 0.00 -0.36 0.00 0.00 175.35 175.36 2b9a s ALA 36 N 2.37 3.41 0.39 3.13 0.00 0.24 -4.79 121.76 126.52 2b9a s ALA 36 Ca 0.63 -0.85 0.11 0.00 0.00 0.00 0.00 51.96 51.85 2b9a s ALA 36 Cb -0.30 -2.48 0.90 0.00 0.00 0.00 0.00 23.12 21.24 2b9a s ALA 36 CO 0.26 -0.80 1.93 0.00 0.00 0.00 0.00 175.76 177.15 2b9a h ALA 37 N -0.12 1.90 -0.10 0.00 0.00 -1.95 0.13 119.26 119.12 2b9a h ALA 37 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2b9a h ALA 37 Cb 1.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2b9a h ALA 37 CO 0.59 -0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 2b9a n ASP 38 N -4.50 1.35 -0.26 0.00 5.68 -1.26 -4.88 116.55 112.69 2b9a n ASP 38 Ca 0.13 -2.10 -0.03 0.00 -0.50 0.00 0.00 54.79 52.29 2b9a n ASP 38 Cb 0.39 -0.37 -0.01 0.00 -1.14 0.00 0.00 41.12 39.99 2b9a n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2b9a n ASP 39 N 0.01 -4.38 -4.94 -1.12 8.00 0.44 -5.02 116.55 109.54 2b9a n ASP 39 Ca 0.04 0.08 -0.24 0.00 0.71 0.00 0.00 54.79 55.39 2b9a n ASP 39 Cb 0.29 -2.17 -0.01 0.00 -0.02 0.00 0.00 41.12 39.21 2b9a n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2b9a s THR 40 N -1.80 4.86 -0.27 -3.53 2.01 -1.25 -4.80 115.64 110.87 2b9a s THR 40 Ca 0.00 -0.46 -0.17 0.00 0.31 0.00 0.00 61.69 61.38 2b9a s THR 40 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2b9a s THR 40 CO 0.00 -0.52 0.46 0.26 -0.69 0.00 0.00 174.62 174.13 2b9a s TRP 41 N -2.38 3.26 -0.04 4.92 0.52 -1.26 0.82 118.94 124.78 2b9a s TRP 41 Ca 0.42 0.54 0.00 0.00 0.02 0.00 0.00 56.10 57.07 2b9a s TRP 41 Cb -0.10 -2.66 -0.03 0.00 -1.15 0.00 0.00 33.47 29.53 2b9a s TRP 41 CO 0.37 -0.26 0.00 -1.83 0.02 0.00 0.00 176.95 175.25 2b9a s GLU 42 N 2.21 2.88 0.31 4.98 -1.05 -0.29 -4.91 118.70 122.82 2b9a s GLU 42 Ca 0.19 -0.52 -0.29 0.00 -0.15 0.00 0.00 54.97 54.20 2b9a s GLU 42 Cb -0.16 -2.73 -0.13 0.00 -0.44 0.00 0.00 34.13 30.68 2b9a s GLU 42 CO 0.09 0.66 1.29 -2.30 0.95 0.00 0.00 175.26 175.95 2b9a n PRO 43 N 1.70 2.00 0.00 -4.83 -0.02 -1.26 -0.75 135.00 131.84 2b9a n PRO 43 Ca -0.16 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2b9a n PRO 43 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2b9a n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2b9a n PHE 44 N 0.75 0.00 -3.61 6.00 7.35 0.47 -4.69 117.46 123.74 2b9a n PHE 44 Ca 0.07 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.72 2b9a n PHE 44 Cb 0.34 0.02 -0.03 0.00 0.35 0.00 0.00 39.48 40.16 2b9a n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b9a s ALA 45 N -1.94 -2.06 0.26 3.13 0.00 -0.94 -4.99 121.76 115.21 2b9a s ALA 45 Ca 0.00 1.68 -0.21 0.00 0.00 0.00 0.00 51.96 53.43 2b9a s ALA 45 Cb 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.55 2b9a s ALA 45 CO 0.00 -0.45 0.69 -1.54 0.00 0.00 0.00 175.76 174.45 2b9a s SER 46 N -1.69 -0.30 0.00 0.00 1.04 -1.26 0.63 113.70 112.12 2b9a s SER 46 Ca 0.08 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2b9a s SER 46 Cb -0.01 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2b9a s SER 46 CO -0.05 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.51 2b9a n GLY 47 N -0.44 -1.35 3.34 7.32 0.00 -0.68 -4.93 105.19 108.46 2b9a n GLY 47 Ca -0.06 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 2b9a n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b9a s LYS 48 N -1.17 1.40 0.48 1.61 1.02 -1.26 -1.53 119.74 120.29 2b9a s LYS 48 Ca 0.00 -1.23 -0.22 0.00 0.02 0.00 0.00 55.97 54.55 2b9a s LYS 48 Cb 0.00 -1.76 -0.07 0.00 -0.52 0.00 0.00 37.83 35.48 2b9a s LYS 48 CO 0.00 0.43 1.12 0.95 -0.92 0.00 0.00 175.35 176.93 2b9a s THR 49 N -1.01 3.30 0.09 2.17 -4.23 -0.23 -4.72 115.64 111.01 2b9a s THR 49 Ca 0.11 0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 61.51 2b9a s THR 49 Cb -0.10 -3.42 0.02 0.00 1.34 0.00 0.00 72.50 70.34 2b9a s THR 49 CO 0.05 -0.08 0.12 -1.54 -0.54 0.00 0.00 174.62 172.62 2b9a n SER 50 N -0.73 -0.21 0.29 3.99 3.41 0.67 -0.97 113.62 120.07 2b9a n SER 50 Ca 0.08 -0.95 0.18 0.00 -0.26 0.00 0.00 58.87 57.93 2b9a n SER 50 Cb 0.50 -0.09 0.78 0.00 -0.26 0.00 0.00 64.21 65.14 2b9a n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2b9a h GLU 51 N 0.00 0.00 -0.43 4.33 4.39 -1.95 -0.62 114.58 120.30 2b9a h GLU 51 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2b9a h GLU 51 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2b9a h GLU 51 CO 0.03 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 176.75 2b9a n SER 52 N -3.10 3.05 0.00 1.42 3.41 -1.26 -4.80 113.62 112.34 2b9a n SER 52 Ca -0.00 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 2b9a n SER 52 Cb 0.26 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2b9a n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b9a n GLY 53 N 1.42 0.47 3.67 5.00 0.00 -0.24 -4.78 105.19 110.74 2b9a n GLY 53 Ca 0.19 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2b9a n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b9a s GLU 54 N -0.84 2.53 -0.16 1.61 2.02 -1.26 -0.45 118.70 122.14 2b9a s GLU 54 Ca 0.00 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.15 2b9a s GLU 54 Cb 0.00 -2.53 0.05 0.00 0.10 0.00 0.00 34.13 31.75 2b9a s GLU 54 CO 0.00 0.55 -0.00 -1.17 0.02 0.00 0.00 175.26 174.66 2b9a s LEU 55 N -2.17 1.27 0.50 1.80 2.96 0.03 -0.24 118.68 122.84 2b9a s LEU 55 Ca 0.24 -0.65 0.05 0.00 -0.22 0.00 0.00 54.13 53.56 2b9a s LEU 55 Cb -0.12 -0.69 0.01 0.00 0.50 0.00 0.00 46.19 45.89 2b9a s LEU 55 CO 0.16 -0.24 0.30 -1.00 -1.32 0.00 0.00 176.35 174.25 2b9a s HIS 56 N 1.79 1.93 0.00 5.38 3.76 -1.26 -1.67 115.29 125.21 2b9a s HIS 56 Ca 0.00 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 2b9a s HIS 56 Cb -0.16 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.64 2b9a s HIS 56 CO -0.07 -0.22 0.00 0.41 -0.85 0.00 0.00 174.74 174.01 2b9a n GLY 57 N -1.58 0.53 0.25 -2.22 0.00 -1.26 -4.90 105.19 96.01 2b9a n GLY 57 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 2b9a n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2b9a h LEU 58 N 0.00 0.40 -8.43 0.99 3.38 -1.88 -3.46 115.31 106.32 2b9a h LEU 58 Ca 0.00 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 2b9a h LEU 58 Cb 0.14 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 2b9a h LEU 58 CO 0.00 0.25 -0.25 0.28 0.09 0.00 0.00 178.44 178.81 2b9a s THR 59 N -6.09 0.00 0.37 0.22 -1.32 -1.26 -4.77 115.64 102.78 2b9a s THR 59 Ca -0.13 -1.60 0.08 0.00 -1.21 0.00 0.00 61.69 58.83 2b9a s THR 59 Cb 0.17 -2.44 -0.05 0.00 -1.51 0.00 0.00 72.50 68.66 2b9a s THR 59 CO 0.75 0.00 0.08 0.42 -2.21 0.00 0.00 174.62 173.67 2b9a s THR 60 N -3.65 2.55 0.21 5.08 -4.23 -1.26 -4.61 115.64 109.73 2b9a s THR 60 Ca 0.29 -1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 58.85 2b9a s THR 60 Cb 0.01 -2.90 0.15 0.00 1.34 0.00 0.00 72.50 71.10 2b9a s THR 60 CO 0.14 -0.12 1.88 -0.33 -0.54 0.00 0.00 174.62 175.65 2b9a h GLU 61 N 1.65 0.98 -0.60 3.99 5.08 -1.98 -2.01 114.58 121.69 2b9a h GLU 61 Ca -0.43 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 57.99 2b9a h GLU 61 Cb 1.25 -0.22 -0.11 0.00 0.50 0.00 0.00 28.75 30.17 2b9a h GLU 61 CO 0.68 0.65 -0.08 0.93 -1.00 0.00 0.00 179.01 180.19 2b9a h GLU 62 N 1.01 0.05 0.00 2.33 4.39 -2.04 -2.84 114.58 117.47 2b9a h GLU 62 Ca 0.27 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.88 2b9a h GLU 62 Cb -0.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2b9a h GLU 62 CO -0.06 0.03 -0.52 1.05 -1.16 0.00 0.00 179.01 178.35 2b9a h GLU 63 N 0.05 0.00 -4.27 2.33 9.09 -1.88 -3.40 114.58 116.50 2b9a h GLU 63 Ca 0.30 0.00 -0.75 0.00 0.05 0.00 0.00 59.36 58.96 2b9a h GLU 63 Cb 0.47 0.00 -0.17 0.00 -1.65 0.00 0.00 28.75 27.40 2b9a h GLU 63 CO -0.57 0.40 1.58 0.34 0.05 0.00 0.00 179.01 180.81 2b9a n PHE 64 N -3.16 4.21 -2.40 2.06 7.35 -0.79 -4.96 117.46 119.77 2b9a n PHE 64 Ca 0.01 -3.15 -0.25 0.00 -0.76 0.00 0.00 57.45 53.30 2b9a n PHE 64 Cb 0.71 -2.09 0.12 0.00 0.35 0.00 0.00 39.48 38.57 2b9a n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2b9a s VAL 65 N 1.05 2.15 0.57 -2.13 -7.23 -1.26 -4.93 120.40 108.62 2b9a s VAL 65 Ca 0.41 -0.43 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 2b9a s VAL 65 Cb 0.02 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2b9a s VAL 65 CO 0.00 0.00 1.29 -1.61 -0.31 0.00 0.00 175.10 174.47 2b9a s GLU 66 N -5.31 3.05 0.00 4.82 2.02 -1.26 -4.84 118.70 117.19 2b9a s GLU 66 Ca 0.67 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.72 2b9a s GLU 66 Cb -0.06 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.06 2b9a s GLU 66 CO 0.46 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.95 2b9a n GLY 67 N 0.68 0.97 3.77 -1.39 0.00 -1.19 -4.97 105.19 103.07 2b9a n GLY 67 Ca 0.12 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 2b9a n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b9a s ILE 68 N -2.00 5.44 0.06 -0.61 1.01 -1.26 -0.07 121.20 123.77 2b9a s ILE 68 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.91 2b9a s ILE 68 Cb 0.00 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 2b9a s ILE 68 CO 0.00 0.49 -0.18 -0.31 0.00 0.00 0.00 174.94 174.94 2b9a s TYR 69 N -0.03 1.57 -0.13 3.97 1.51 0.09 -0.55 117.35 123.79 2b9a s TYR 69 Ca 0.10 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 2b9a s TYR 69 Cb -0.11 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.84 2b9a s TYR 69 CO -0.00 0.11 -0.22 0.21 -1.11 0.00 0.00 175.55 174.53 2b9a s LYS 70 N -1.46 2.98 -0.27 -0.62 2.20 0.03 -1.29 119.74 121.31 2b9a s LYS 70 Ca 0.04 -0.84 -0.08 0.00 -0.36 0.00 0.00 55.97 54.73 2b9a s LYS 70 Cb -0.09 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.85 2b9a s LYS 70 CO 0.02 0.04 0.10 0.08 -0.36 0.00 0.00 175.35 175.24 2b9a s VAL 71 N 0.68 4.44 -0.17 4.02 1.01 0.14 -0.50 120.40 130.03 2b9a s VAL 71 Ca -0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 2b9a s VAL 71 Cb -0.16 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 2b9a s VAL 71 CO 0.01 0.25 -0.04 -1.61 0.00 0.00 0.00 175.10 173.72 2b9a s GLU 72 N 1.62 3.60 -0.17 2.72 2.02 0.14 -0.43 118.70 128.20 2b9a s GLU 72 Ca 0.06 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 2b9a s GLU 72 Cb -0.16 -2.93 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 2b9a s GLU 72 CO 0.05 0.15 -0.08 0.42 0.02 0.00 0.00 175.26 175.81 2b9a s ILE 73 N 0.60 3.26 -1.25 -1.63 1.01 0.20 -1.08 121.20 122.31 2b9a s ILE 73 Ca -0.03 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 2b9a s ILE 73 Cb -0.14 -2.43 0.14 0.00 0.01 0.00 0.00 42.46 40.04 2b9a s ILE 73 CO 0.02 0.48 1.60 -0.67 0.00 0.00 0.00 174.94 176.38 2b9a n ASP 74 N 4.08 5.08 0.07 3.58 2.03 0.34 -0.87 116.55 130.85 2b9a n ASP 74 Ca -0.18 -2.97 -0.04 0.00 0.52 0.00 0.00 54.79 52.11 2b9a n ASP 74 Cb 0.52 -1.61 0.16 0.00 -0.72 0.00 0.00 41.12 39.47 2b9a n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2b9a h THR 75 N 4.75 1.33 -0.43 5.18 1.35 -1.86 -3.21 112.91 120.02 2b9a h THR 75 Ca 0.37 -1.67 0.02 0.00 -0.55 0.00 0.00 66.41 64.59 2b9a h THR 75 Cb 0.83 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.97 2b9a h THR 75 CO 1.37 0.50 0.25 0.50 -0.25 0.00 0.00 175.52 177.89 2b9a h LYS 76 N 0.26 0.48 -0.62 4.72 3.64 -1.73 -1.18 116.57 122.14 2b9a h LYS 76 Ca 0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2b9a h LYS 76 Cb 0.92 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 2b9a h LYS 76 CO 0.08 0.32 0.14 0.77 -2.27 0.00 0.00 179.45 178.49 2b9a h SER 77 N 0.50 0.91 -0.07 4.20 0.02 -1.87 -1.76 113.55 115.49 2b9a h SER 77 Ca 0.17 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2b9a h SER 77 Cb 0.02 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 2b9a h SER 77 CO -0.08 0.89 -0.16 0.22 -1.14 0.00 0.00 176.83 176.56 2b9a h TYR 78 N 0.93 -0.40 -0.28 3.45 3.20 -1.42 -2.21 116.97 120.24 2b9a h TYR 78 Ca 0.20 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.94 2b9a h TYR 78 Cb 0.34 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2b9a h TYR 78 CO 0.02 -0.23 -0.43 -1.49 -1.64 0.00 0.00 178.16 174.39 2b9a h TRP 79 N -0.23 0.83 -0.47 -3.82 4.06 -1.04 -3.15 115.95 112.13 2b9a h TRP 79 Ca 0.07 -0.26 -0.05 0.00 2.06 0.00 0.00 58.89 60.72 2b9a h TRP 79 Cb 0.33 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 2b9a h TRP 79 CO -0.24 1.00 0.11 0.87 -3.56 0.00 0.00 178.44 176.62 2b9a h LYS 80 N 0.56 0.72 0.00 0.49 1.57 -1.24 -0.50 116.57 118.16 2b9a h LYS 80 Ca 0.04 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2b9a h LYS 80 Cb 0.97 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2b9a h LYS 80 CO 0.09 0.66 0.00 0.00 -0.57 0.00 0.00 179.45 179.63 2b9a h ALA 81 N 1.42 1.00 -0.02 3.86 0.00 -1.36 -0.53 119.26 123.64 2b9a h ALA 81 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2b9a h ALA 81 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2b9a h ALA 81 CO -0.00 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.49 2b9a n LEU 82 N -2.84 1.95 0.00 0.00 4.77 -0.25 -4.95 117.00 115.67 2b9a n LEU 82 Ca 0.01 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2b9a n LEU 82 Cb 0.29 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2b9a n LEU 82 CO 0.25 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2b9a n GLY 83 N 1.25 0.74 3.16 -0.72 0.00 -0.21 -5.07 105.19 104.35 2b9a n GLY 83 Ca 0.16 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 2b9a n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b9a s ILE 84 N -2.00 1.76 -0.44 -0.61 1.01 -0.85 -5.02 121.20 115.04 2b9a s ILE 84 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 2b9a s ILE 84 Cb 0.00 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.96 2b9a s ILE 84 CO 0.00 0.49 0.89 -0.55 0.00 0.00 0.00 174.94 175.77 2b9a s SER 85 N 0.43 6.52 0.64 3.58 0.15 -1.26 -3.48 113.70 120.29 2b9a s SER 85 Ca -0.17 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2b9a s SER 85 Cb -0.17 -2.44 0.08 0.00 -1.71 0.00 0.00 66.02 61.78 2b9a s SER 85 CO 0.07 -0.97 0.89 -2.16 1.20 0.00 0.00 173.24 172.27 2b9a s PRO 86 N 3.58 2.09 -0.12 5.44 0.04 -1.26 -4.97 135.00 139.80 2b9a s PRO 86 Ca 0.36 -0.96 -0.21 0.00 0.04 0.00 0.00 61.00 60.23 2b9a s PRO 86 Cb -0.11 -2.41 -0.26 0.00 0.04 0.00 0.00 34.50 31.76 2b9a s PRO 86 CO 0.24 -1.10 0.61 0.35 0.04 0.00 0.00 177.00 177.13 2b9a h PHE 87 N -0.25 0.29 -3.63 0.56 3.57 -1.46 -3.48 116.94 112.55 2b9a h PHE 87 Ca -0.39 -0.21 -0.51 0.00 3.53 0.00 0.00 57.97 60.39 2b9a h PHE 87 Cb 1.28 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 2b9a h PHE 87 CO 0.09 1.37 0.04 -1.01 -2.23 0.00 0.00 178.31 176.57 2b9a s HIS 88 N -2.39 3.41 0.22 0.41 3.76 -1.26 -4.96 115.29 114.48 2b9a s HIS 88 Ca -0.20 1.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.85 2b9a s HIS 88 Cb 0.02 -2.46 0.21 0.00 1.11 0.00 0.00 32.58 31.46 2b9a s HIS 88 CO 0.73 0.17 1.56 0.93 -0.85 0.00 0.00 174.74 177.28 2b9a h GLU 89 N 2.45 0.44 0.00 1.40 4.39 -1.98 -3.37 114.58 117.91 2b9a h GLU 89 Ca -0.48 -0.26 0.19 0.00 0.34 0.00 0.00 59.36 59.16 2b9a h GLU 89 Cb 1.17 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.81 2b9a h GLU 89 CO 0.66 0.85 0.59 -2.39 -1.16 0.00 0.00 179.01 177.56 2b9a n HIS 90 N -3.96 -0.87 -4.61 4.33 1.44 -1.26 -3.87 115.22 106.42 2b9a n HIS 90 Ca -0.02 -0.87 -0.31 0.00 -2.01 0.00 0.00 57.72 54.51 2b9a n HIS 90 Cb 0.57 0.41 -0.17 0.00 0.12 0.00 0.00 29.99 30.93 2b9a n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b9a s ALA 91 N -1.84 2.07 -0.11 1.59 0.00 -0.05 -4.88 121.76 118.54 2b9a s ALA 91 Ca 0.21 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2b9a s ALA 91 Cb -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 2b9a s ALA 91 CO 0.03 -0.04 -0.17 -1.21 0.00 0.00 0.00 175.76 174.37 2b9a s GLU 92 N 0.87 3.16 -0.21 0.00 2.02 -1.26 0.59 118.70 123.87 2b9a s GLU 92 Ca -0.07 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2b9a s GLU 92 Cb -0.15 -2.49 0.04 0.00 0.10 0.00 0.00 34.13 31.62 2b9a s GLU 92 CO -0.02 0.26 -0.13 0.08 0.02 0.00 0.00 175.26 175.48 2b9a s VAL 93 N 0.20 1.84 -0.12 2.63 1.01 0.42 -4.96 120.40 121.41 2b9a s VAL 93 Ca -0.10 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.79 2b9a s VAL 93 Cb -0.16 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 2b9a s VAL 93 CO 0.06 0.21 -0.19 -0.69 0.00 0.00 0.00 175.10 174.49 2b9a s VAL 94 N 1.32 2.44 0.12 2.92 1.01 -1.26 -0.68 120.40 126.27 2b9a s VAL 94 Ca -0.01 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 2b9a s VAL 94 Cb -0.16 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.27 2b9a s VAL 94 CO -0.09 0.54 0.41 0.72 0.00 0.00 0.00 175.10 176.69 2b9a s PHE 95 N 0.51 -0.23 -0.09 5.22 -0.71 -0.42 -4.99 117.98 117.27 2b9a s PHE 95 Ca -0.12 -0.05 -0.16 0.00 -1.04 0.00 0.00 56.93 55.55 2b9a s PHE 95 Cb -0.17 0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.87 2b9a s PHE 95 CO 0.05 -0.70 0.41 0.99 -1.34 0.00 0.00 175.22 174.63 2b9a s THR 96 N -3.68 5.17 0.47 -4.49 2.01 -1.26 -0.73 115.64 113.13 2b9a s THR 96 Ca 0.02 0.81 0.08 0.00 0.31 0.00 0.00 61.69 62.91 2b9a s THR 96 Cb 0.01 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 68.82 2b9a s THR 96 CO -0.11 0.43 0.60 0.00 -0.69 0.00 0.00 174.62 174.85 2b9a s ALA 97 N 0.00 4.51 0.15 7.40 0.00 0.90 -4.96 121.76 129.76 2b9a s ALA 97 Ca 0.23 -1.82 -0.34 0.00 0.00 0.00 0.00 51.96 50.02 2b9a s ALA 97 Cb -0.15 -1.44 -0.16 0.00 0.00 0.00 0.00 23.12 21.38 2b9a s ALA 97 CO 0.10 -0.46 1.32 0.54 0.00 0.00 0.00 175.76 177.26 2b9a n ARG 104 N -1.92 1.41 -4.25 0.00 1.74 -0.85 -3.17 116.66 109.62 2b9a n ARG 104 Ca 0.09 0.50 -0.34 0.00 -0.77 0.00 0.00 57.85 57.34 2b9a n ARG 104 Cb 0.60 -2.12 -0.15 0.00 -1.02 0.00 0.00 32.46 29.78 2b9a n ARG 104 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2b9a s TYR 105 N 0.25 2.87 -0.21 -1.55 1.51 0.11 -1.32 117.35 119.01 2b9a s TYR 105 Ca 0.78 -0.99 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 2b9a s TYR 105 Cb -0.84 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.02 2b9a s TYR 105 CO 0.48 -0.49 -0.05 0.99 -1.11 0.00 0.00 175.55 175.36 2b9a s THR 106 N 1.06 3.36 -0.41 -0.71 2.01 -0.05 -1.07 115.64 119.84 2b9a s THR 106 Ca -0.00 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 2b9a s THR 106 Cb -0.15 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.88 2b9a s THR 106 CO -0.02 0.44 0.28 -0.63 -0.69 0.00 0.00 174.62 174.00 2b9a s ILE 107 N 1.31 5.04 -0.06 1.82 -1.09 -0.07 -0.73 121.20 127.42 2b9a s ILE 107 Ca 0.04 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 57.68 2b9a s ILE 107 Cb -0.14 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2b9a s ILE 107 CO -0.02 -0.32 0.04 0.00 -1.23 0.00 0.00 174.94 173.41 2b9a s ALA 108 N 1.64 3.42 -0.02 9.38 0.00 -0.23 -1.19 121.76 134.76 2b9a s ALA 108 Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2b9a s ALA 108 Cb -0.20 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.40 2b9a s ALA 108 CO 0.09 0.63 -0.07 0.00 0.00 0.00 0.00 175.76 176.40 2b9a s ALA 109 N -1.01 0.71 -0.20 0.00 0.00 -0.12 -1.47 121.76 119.68 2b9a s ALA 109 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 2b9a s ALA 109 Cb -0.12 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2b9a s ALA 109 CO 0.07 0.10 -0.13 -1.17 0.00 0.00 0.00 175.76 174.63 2b9a s LEU 110 N 0.29 2.50 -0.09 0.00 2.96 -0.18 -1.18 118.68 122.98 2b9a s LEU 110 Ca -0.04 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2b9a s LEU 110 Cb -0.08 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2b9a s LEU 110 CO 0.00 -0.01 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.21 2b9a s LEU 111 N 1.38 3.29 0.20 -0.68 1.43 0.27 -1.24 118.68 123.33 2b9a s LEU 111 Ca 0.05 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2b9a s LEU 111 Cb -0.14 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 2b9a s LEU 111 CO -0.08 0.34 -0.02 -0.44 0.23 0.00 0.00 176.35 176.37 2b9a s SER 112 N -0.66 1.68 0.27 2.29 0.01 0.22 -0.37 113.70 117.15 2b9a s SER 112 Ca 0.10 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2b9a s SER 112 Cb -0.12 0.03 0.53 0.00 0.21 0.00 0.00 66.02 66.67 2b9a s SER 112 CO 0.02 -0.49 1.82 -0.65 0.41 0.00 0.00 173.24 174.35 2b9a h PRO 113 N 2.58 0.90 -0.30 12.44 0.11 -1.99 -3.01 132.00 142.73 2b9a h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2b9a h PRO 113 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2b9a h PRO 113 CO 0.64 0.60 0.00 0.66 -0.21 0.00 0.00 178.00 179.69 2b9a n TYR 114 N -4.66 0.59 -3.69 0.65 4.02 -1.26 -1.08 117.16 111.72 2b9a n TYR 114 Ca 0.18 -0.63 -0.15 0.00 -0.01 0.00 0.00 57.90 57.30 2b9a n TYR 114 Cb 0.35 -0.12 -0.08 0.00 -0.02 0.00 0.00 39.34 39.47 2b9a n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2b9a s SER 115 N -1.32 -0.36 0.11 7.72 0.15 -1.14 -4.96 113.70 113.90 2b9a s SER 115 Ca 0.28 0.38 -0.03 0.00 0.70 0.00 0.00 55.95 57.28 2b9a s SER 115 Cb 0.19 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 2b9a s SER 115 CO 0.13 -0.45 0.09 -0.72 1.20 0.00 0.00 173.24 173.49 2b9a s TYR 116 N -1.05 0.61 0.28 3.44 -0.85 -1.26 -0.61 117.35 117.90 2b9a s TYR 116 Ca -0.11 -1.04 0.06 0.00 -0.52 0.00 0.00 57.07 55.47 2b9a s TYR 116 Cb -0.04 -0.34 -0.06 0.00 0.38 0.00 0.00 41.96 41.91 2b9a s TYR 116 CO 0.05 -0.52 -0.05 -1.54 -1.52 0.00 0.00 175.55 171.97 2b9a s SER 117 N -2.98 2.69 -0.04 -0.18 1.04 -0.38 -4.97 113.70 108.90 2b9a s SER 117 Ca 0.16 -1.19 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 2b9a s SER 117 Cb 0.07 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.05 2b9a s SER 117 CO -0.03 -0.35 0.24 0.28 0.98 0.00 0.00 173.24 174.36 2b9a s THR 118 N -3.04 0.05 0.05 2.02 -1.32 -1.26 -1.02 115.64 111.12 2b9a s THR 118 Ca 0.29 -0.38 -0.05 0.00 -1.21 0.00 0.00 61.69 60.35 2b9a s THR 118 Cb 0.04 -0.48 -0.02 0.00 -1.51 0.00 0.00 72.50 70.53 2b9a s THR 118 CO 0.12 -0.21 0.07 -0.89 -2.21 0.00 0.00 174.62 171.50 2b9a s THR 119 N -0.84 0.16 -0.13 5.08 2.01 -0.54 -5.01 115.64 116.36 2b9a s THR 119 Ca -0.09 -1.30 0.02 0.00 0.31 0.00 0.00 61.69 60.63 2b9a s THR 119 Cb -0.05 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.34 2b9a s THR 119 CO 0.02 -0.72 -0.21 0.00 -0.69 0.00 0.00 174.62 173.02 2b9a s ALA 120 N -3.17 2.28 -0.32 7.40 0.00 -1.26 -1.07 121.76 125.63 2b9a s ALA 120 Ca -0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 2b9a s ALA 120 Cb 0.02 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.19 2b9a s ALA 120 CO -0.07 0.05 0.06 0.08 0.00 0.00 0.00 175.76 175.88 2b9a s VAL 121 N 0.69 3.55 -0.38 0.00 1.01 0.09 -4.97 120.40 120.39 2b9a s VAL 121 Ca -0.10 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.71 2b9a s VAL 121 Cb -0.16 -2.98 0.07 0.00 0.00 0.00 0.00 36.38 33.32 2b9a s VAL 121 CO 0.01 -0.09 0.16 -0.69 0.00 0.00 0.00 175.10 174.49 2b9a s VAL 122 N 1.38 3.67 0.00 2.92 1.01 -1.26 -0.87 120.40 127.25 2b9a s VAL 122 Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.46 2b9a s VAL 122 Cb -0.19 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2b9a s VAL 122 CO 0.01 -0.41 0.49 0.35 0.00 0.00 0.00 175.10 175.54