#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 -3.55 0.00 0.13 -1.90 -3.44 132.00 123.24 2b9a h PRO 11 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 2b9a h PRO 11 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 2b9a h PRO 11 CO 0.00 0.02 -0.75 -1.17 -0.23 0.00 0.00 178.00 175.87 2b9a s LEU 12 N -5.88 0.52 0.04 1.56 2.96 -1.26 -0.80 118.68 115.82 2b9a s LEU 12 Ca 0.04 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 2b9a s LEU 12 Cb 0.07 -0.28 -0.02 0.00 0.50 0.00 0.00 46.19 46.46 2b9a s LEU 12 CO 0.72 -0.20 -0.11 -0.04 -1.32 0.00 0.00 176.35 175.40 2b9a s MET 13 N 1.88 0.73 -0.05 1.98 -1.94 -0.39 -4.41 119.30 117.10 2b9a s MET 13 Ca 0.02 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.36 2b9a s MET 13 Cb -0.12 -0.67 -0.00 0.00 2.01 0.00 0.00 34.83 36.05 2b9a s MET 13 CO -0.04 0.16 -0.17 0.08 -0.01 0.00 0.00 175.02 175.04 2b9a s VAL 14 N -0.92 1.46 -0.07 -6.03 1.01 -0.41 -1.00 120.40 114.45 2b9a s VAL 14 Ca -0.02 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.27 2b9a s VAL 14 Cb -0.08 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2b9a s VAL 14 CO 0.01 0.42 -0.17 -0.75 0.00 0.00 0.00 175.10 174.61 2b9a s LYS 15 N 0.07 2.12 -0.07 2.72 2.20 0.06 -0.33 119.74 126.50 2b9a s LYS 15 Ca -0.05 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 2b9a s LYS 15 Cb -0.12 -1.72 0.01 0.00 -1.51 0.00 0.00 37.83 34.49 2b9a s LYS 15 CO 0.02 0.15 -0.13 0.08 -0.36 0.00 0.00 175.35 175.12 2b9a s VAL 16 N 0.35 1.17 0.22 4.02 1.01 0.56 -0.69 120.40 127.03 2b9a s VAL 16 Ca -0.12 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.47 2b9a s VAL 16 Cb -0.15 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2b9a s VAL 16 CO 0.05 0.36 -0.13 -0.76 0.00 0.00 0.00 175.10 174.62 2b9a s LEU 17 N 0.67 2.82 -0.32 3.92 1.43 -0.15 -1.04 118.68 126.02 2b9a s LEU 17 Ca -0.14 -0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 52.13 2b9a s LEU 17 Cb -0.16 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2b9a s LEU 17 CO 0.04 0.07 0.11 -0.62 0.23 0.00 0.00 176.35 176.18 2b9a s ASP 18 N -3.12 5.31 0.18 2.29 -1.08 0.46 -1.03 116.67 119.68 2b9a s ASP 18 Ca 0.26 -0.79 0.26 0.00 -0.52 0.00 0.00 52.55 51.77 2b9a s ASP 18 Cb -0.07 -1.92 0.89 0.00 -1.46 0.00 0.00 42.92 40.36 2b9a s ASP 18 CO 0.15 -0.24 1.78 0.00 0.52 0.00 0.00 175.17 177.38 2b9a n ALA 19 N 4.89 2.18 0.07 3.66 0.00 -0.08 -1.46 120.51 129.77 2b9a n ALA 19 Ca -0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 2b9a n ALA 19 Cb 0.47 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 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 1.33 0.00 0.00 2.07 -1.95 -3.40 116.25 114.31 2b9a h VAL 20 Ca 0.00 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2b9a h VAL 20 Cb 0.63 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 2b9a h VAL 20 CO 0.00 0.75 -1.44 0.54 0.02 0.00 0.00 177.57 177.44 2b9a n ARG 21 N -3.95 0.49 -2.70 1.57 1.74 -1.24 -5.00 116.66 107.58 2b9a n ARG 21 Ca -0.17 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 56.76 2b9a n ARG 21 Cb 0.93 -1.60 0.05 0.00 -1.02 0.00 0.00 32.46 30.81 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 1.29 0.00 3.34 -0.13 0.00 -0.53 -5.03 105.19 104.13 2b9a n GLY 22 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.64 -0.03 0.67 1.61 1.04 -1.10 -5.01 113.70 107.24 2b9a s SER 23 Ca 0.03 -0.69 -0.17 0.00 0.48 0.00 0.00 55.95 55.60 2b9a s SER 23 Cb -0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2b9a s SER 23 CO 0.38 -0.88 1.28 -2.16 0.98 0.00 0.00 173.24 172.84 2b9a s PRO 24 N -3.91 2.43 -0.44 4.02 0.04 -1.26 -0.40 135.00 135.47 2b9a s PRO 24 Ca 0.11 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 62.98 2b9a s PRO 24 Cb 0.03 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.76 2b9a s PRO 24 CO -0.04 -1.68 0.57 0.00 0.04 0.00 0.00 177.00 175.88 2b9a s ALA 25 N -1.50 3.38 -0.02 8.56 0.00 -0.21 -4.54 121.76 127.44 2b9a s ALA 25 Ca 0.81 -1.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 2b9a s ALA 25 Cb -0.36 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 2b9a s ALA 25 CO 0.41 -1.75 0.26 0.42 0.00 0.00 0.00 175.76 175.10 2b9a s ILE 26 N 2.55 5.30 -1.50 0.00 1.01 -1.26 -4.31 121.20 123.00 2b9a s ILE 26 Ca 0.18 0.27 -0.00 0.00 0.00 0.00 0.00 60.65 61.10 2b9a s ILE 26 Cb -0.16 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2b9a s ILE 26 CO 0.16 0.44 0.02 0.59 0.00 0.00 0.00 174.94 176.15 2b9a n ASN 27 N 1.37 -5.16 -4.69 3.58 3.02 -0.35 -4.93 115.26 108.10 2b9a n ASN 27 Ca -0.13 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 53.97 2b9a n ASN 27 Cb 0.53 -4.24 -0.03 0.00 -0.61 0.00 0.00 39.78 35.43 2b9a n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2b9a s VAL 28 N -2.89 4.85 0.26 2.41 1.01 -1.26 -4.76 120.40 120.03 2b9a s VAL 28 Ca 0.01 1.86 -0.30 0.00 0.00 0.00 0.00 61.98 63.56 2b9a s VAL 28 Cb -0.00 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 2b9a s VAL 28 CO 0.01 0.06 1.06 0.00 0.00 0.00 0.00 175.10 176.23 2b9a s ALA 29 N 1.78 3.39 -0.04 5.51 0.00 -1.26 -0.71 121.76 130.43 2b9a s ALA 29 Ca 0.45 0.82 0.01 0.00 0.00 0.00 0.00 51.96 53.24 2b9a s ALA 29 Cb -0.18 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.66 2b9a s ALA 29 CO 0.18 -0.07 -0.05 0.08 0.00 0.00 0.00 175.76 175.89 2b9a s VAL 30 N -1.07 0.56 -0.05 0.00 1.01 0.07 -1.17 120.40 119.74 2b9a s VAL 30 Ca 0.44 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2b9a s VAL 30 Cb -0.30 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 2b9a s VAL 30 CO 0.38 0.21 -0.25 -1.00 0.00 0.00 0.00 175.10 174.45 2b9a s HIS 31 N 0.67 2.43 -0.10 5.22 3.76 0.57 -1.28 115.29 126.55 2b9a s HIS 31 Ca -0.09 -0.67 0.02 0.00 -0.15 0.00 0.00 55.06 54.17 2b9a s HIS 31 Cb -0.12 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 31.97 2b9a s HIS 31 CO 0.00 -0.18 -0.16 0.08 -0.85 0.00 0.00 174.74 173.63 2b9a s VAL 32 N -0.25 2.81 0.18 -0.90 1.01 0.19 -0.47 120.40 122.98 2b9a s VAL 32 Ca -0.01 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.30 2b9a s VAL 32 Cb -0.13 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2b9a s VAL 32 CO 0.03 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.10 2b9a s PHE 33 N 0.07 2.09 -0.04 5.22 0.08 0.75 -0.44 117.98 125.71 2b9a s PHE 33 Ca -0.07 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.63 2b9a s PHE 33 Cb -0.15 -1.04 -0.01 0.00 -0.57 0.00 0.00 43.02 41.26 2b9a s PHE 33 CO 0.05 0.43 -0.17 0.50 -0.10 0.00 0.00 175.22 175.92 2b9a s ARG 34 N -2.71 1.72 0.07 0.44 3.52 0.44 -0.91 118.95 121.52 2b9a s ARG 34 Ca 0.18 -0.61 -0.31 0.00 -0.13 0.00 0.00 55.73 54.86 2b9a s ARG 34 Cb -0.07 -1.52 -0.06 0.00 -1.56 0.00 0.00 34.95 31.74 2b9a s ARG 34 CO 0.08 0.27 1.24 0.21 -0.81 0.00 0.00 175.30 176.29 2b9a s LYS 35 N -0.05 4.41 0.60 5.12 2.20 -0.12 -0.43 119.74 131.46 2b9a s LYS 35 Ca -0.02 1.83 0.02 0.00 -0.36 0.00 0.00 55.97 57.44 2b9a s LYS 35 Cb -0.11 -3.34 0.07 0.00 -1.51 0.00 0.00 37.83 32.94 2b9a s LYS 35 CO 0.02 -0.30 0.83 0.00 -0.36 0.00 0.00 175.35 175.53 2b9a s ALA 36 N 1.13 4.00 0.33 3.13 0.00 0.93 -4.73 121.76 126.56 2b9a s ALA 36 Ca 0.60 -1.60 0.06 0.00 0.00 0.00 0.00 51.96 51.02 2b9a s ALA 36 Cb -0.31 -1.93 0.72 0.00 0.00 0.00 0.00 23.12 21.60 2b9a s ALA 36 CO 0.29 -0.95 1.88 0.00 0.00 0.00 0.00 175.76 176.98 2b9a h ALA 37 N -0.06 1.72 -0.20 0.00 0.00 -1.95 0.26 119.26 119.03 2b9a h ALA 37 Ca -0.38 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2b9a h ALA 37 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2b9a h ALA 37 CO 0.46 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 2b9a n ASP 38 N -4.55 1.25 -3.57 0.00 5.68 -1.26 -4.89 116.55 109.21 2b9a n ASP 38 Ca 0.16 -2.03 -0.26 0.00 -0.50 0.00 0.00 54.79 52.16 2b9a n ASP 38 Cb 0.39 -0.19 0.04 0.00 -1.14 0.00 0.00 41.12 40.22 2b9a n ASP 38 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2b9a n ASP 39 N 0.11 -5.54 -4.93 -1.12 5.75 0.93 -5.05 116.55 106.70 2b9a n ASP 39 Ca 0.07 -0.56 -0.29 0.00 -0.01 0.00 0.00 54.79 54.00 2b9a n ASP 39 Cb 0.22 -4.42 -0.04 0.00 -1.03 0.00 0.00 41.12 35.85 2b9a n ASP 39 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2b9a s THR 40 N -3.24 5.33 -0.54 2.12 -1.32 -1.26 -4.86 115.64 111.87 2b9a s THR 40 Ca 0.54 -0.45 -0.26 0.00 -1.21 0.00 0.00 61.69 60.31 2b9a s THR 40 Cb -0.26 -3.68 0.03 0.00 -1.51 0.00 0.00 72.50 67.09 2b9a s THR 40 CO 0.67 0.02 1.05 0.26 -2.21 0.00 0.00 174.62 174.41 2b9a s TRP 41 N -1.64 2.74 0.03 9.09 0.52 -1.26 -0.05 118.94 128.37 2b9a s TRP 41 Ca 0.36 0.29 -0.17 0.00 0.02 0.00 0.00 56.10 56.59 2b9a s TRP 41 Cb -0.12 -4.26 -0.06 0.00 -1.15 0.00 0.00 33.47 27.87 2b9a s TRP 41 CO 0.28 -1.39 0.49 -2.00 0.02 0.00 0.00 176.95 174.35 2b9a s GLU 42 N 4.35 4.08 0.25 4.98 2.12 0.43 -4.84 118.70 130.07 2b9a s GLU 42 Ca 0.38 0.58 -0.31 0.00 0.36 0.00 0.00 54.97 55.98 2b9a s GLU 42 Cb -0.10 -3.24 -0.12 0.00 0.26 0.00 0.00 34.13 30.94 2b9a s GLU 42 CO 0.24 0.64 1.66 -2.14 -0.54 0.00 0.00 175.26 175.12 2b9a s PRO 43 N -1.02 4.12 -0.08 4.30 0.02 -1.26 -0.42 135.00 140.66 2b9a s PRO 43 Ca 0.26 2.59 -0.04 0.00 0.02 0.00 0.00 61.00 63.84 2b9a s PRO 43 Cb -0.18 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 2b9a s PRO 43 CO 0.16 -0.69 -0.10 0.34 -0.33 0.00 0.00 177.00 176.37 2b9a n PHE 44 N 3.09 0.00 -3.51 6.54 7.35 0.42 -4.77 117.46 126.58 2b9a n PHE 44 Ca 0.12 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.72 2b9a n PHE 44 Cb 0.36 -0.30 -0.02 0.00 0.35 0.00 0.00 39.48 39.88 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 -2.15 -1.83 0.18 3.13 0.00 -0.94 -5.00 121.76 115.15 2b9a s ALA 45 Ca -0.11 1.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.70 2b9a s ALA 45 Cb 0.04 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.57 2b9a s ALA 45 CO 0.15 -0.67 0.52 -1.54 0.00 0.00 0.00 175.76 174.21 2b9a s SER 46 N -2.42 -0.30 -0.00 0.00 1.04 -1.26 0.57 113.70 111.33 2b9a s SER 46 Ca 0.05 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 2b9a s SER 46 Cb -0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2b9a s SER 46 CO -0.09 -1.01 0.05 0.61 0.98 0.00 0.00 173.24 173.79 2b9a n GLY 47 N -0.33 0.62 3.28 7.32 0.00 -0.41 -4.97 105.19 110.70 2b9a n GLY 47 Ca -0.12 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 1.61 0.47 1.61 1.02 -1.26 -0.75 119.74 120.43 2b9a s LYS 48 Ca 0.01 -0.97 -0.24 0.00 0.02 0.00 0.00 55.97 54.79 2b9a s LYS 48 Cb -0.00 -1.71 -0.07 0.00 -0.52 0.00 0.00 37.83 35.52 2b9a s LYS 48 CO -0.00 0.45 1.30 0.95 -0.92 0.00 0.00 175.35 177.12 2b9a s THR 49 N -0.75 2.52 0.78 2.17 -4.23 0.11 -4.71 115.64 111.52 2b9a s THR 49 Ca 0.09 0.42 -0.13 0.00 -1.18 0.00 0.00 61.69 60.89 2b9a s THR 49 Cb -0.09 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 70.70 2b9a s THR 49 CO 0.01 0.03 0.93 -1.54 -0.54 0.00 0.00 174.62 173.51 2b9a n SER 50 N -0.40 -0.47 0.32 3.99 3.41 0.20 -1.22 113.62 119.45 2b9a n SER 50 Ca 0.07 -1.25 0.21 0.00 -0.26 0.00 0.00 58.87 57.64 2b9a n SER 50 Cb 0.45 -0.75 1.09 0.00 -0.26 0.00 0.00 64.21 64.74 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 -0.54 4.33 4.39 -1.93 -0.45 114.58 120.38 2b9a h GLU 51 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2b9a h GLU 51 Cb 0.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2b9a h GLU 51 CO 0.22 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 176.94 2b9a n SER 52 N -3.15 3.05 -0.29 1.42 3.41 -1.26 -4.78 113.62 112.02 2b9a n SER 52 Ca -0.02 -1.98 -0.04 0.00 -0.26 0.00 0.00 58.87 56.57 2b9a n SER 52 Cb 0.12 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 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 1.41 0.67 3.68 5.00 0.00 -0.18 -4.81 105.19 110.97 2b9a n GLY 53 Ca 0.19 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.01 2.57 -0.17 1.61 2.02 -1.26 -0.32 118.70 121.15 2b9a s GLU 54 Ca 0.00 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.18 2b9a s GLU 54 Cb 0.00 -2.55 0.05 0.00 0.10 0.00 0.00 34.13 31.73 2b9a s GLU 54 CO 0.00 0.56 -0.01 -1.17 0.02 0.00 0.00 175.26 174.66 2b9a s LEU 55 N -2.12 1.37 0.46 1.80 2.96 0.55 -0.63 118.68 123.06 2b9a s LEU 55 Ca 0.24 -0.67 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 2b9a s LEU 55 Cb -0.12 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 2b9a s LEU 55 CO 0.16 -0.23 0.13 -1.00 -1.32 0.00 0.00 176.35 174.08 2b9a s HIS 56 N 1.75 2.25 -1.46 5.38 3.76 -1.26 -1.28 115.29 124.43 2b9a s HIS 56 Ca 0.00 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 2b9a s HIS 56 Cb -0.16 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.71 2b9a s HIS 56 CO -0.07 0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.39 2b9a n GLY 57 N -1.26 -0.20 0.21 -2.22 0.00 -1.26 -4.90 105.19 95.56 2b9a n GLY 57 Ca -0.07 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 0.68 -8.17 0.99 3.38 -1.88 -3.48 115.31 106.82 2b9a h LEU 58 Ca -0.40 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.10 2b9a h LEU 58 Cb 1.28 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2b9a h LEU 58 CO 0.47 1.14 0.10 0.28 0.09 0.00 0.00 178.44 180.52 2b9a s THR 59 N -3.89 0.00 0.31 0.22 -1.32 -1.26 -4.80 115.64 104.91 2b9a s THR 59 Ca -0.08 -1.21 0.10 0.00 -1.21 0.00 0.00 61.69 59.30 2b9a s THR 59 Cb 0.11 -2.65 -0.06 0.00 -1.51 0.00 0.00 72.50 68.39 2b9a s THR 59 CO 0.86 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 173.58 2b9a s THR 60 N -2.86 2.51 0.27 5.08 -4.23 -1.26 -4.53 115.64 110.61 2b9a s THR 60 Ca 0.20 -2.20 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2b9a s THR 60 Cb -0.03 -2.58 0.25 0.00 1.34 0.00 0.00 72.50 71.48 2b9a s THR 60 CO 0.13 -0.28 1.80 -0.33 -0.54 0.00 0.00 174.62 175.39 2b9a h GLU 61 N 2.05 0.77 -0.54 3.99 5.08 -2.00 -1.48 114.58 122.45 2b9a h GLU 61 Ca -0.42 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 2b9a h GLU 61 Cb 1.25 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2b9a h GLU 61 CO 0.65 0.51 0.10 0.93 -1.00 0.00 0.00 179.01 180.20 2b9a h GLU 62 N 0.79 0.89 0.00 2.33 5.08 -2.03 -3.24 114.58 118.40 2b9a h GLU 62 Ca 0.47 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2b9a h GLU 62 Cb 0.55 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2b9a h GLU 62 CO -0.30 0.86 -0.50 1.49 -1.00 0.00 0.00 179.01 179.56 2b9a h GLU 63 N 0.78 0.00 -4.22 2.33 4.81 -1.88 -3.40 114.58 113.00 2b9a h GLU 63 Ca 0.17 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.65 2b9a h GLU 63 Cb 0.39 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.60 2b9a h GLU 63 CO 0.01 0.50 1.60 0.34 -0.73 0.00 0.00 179.01 180.73 2b9a n PHE 64 N -3.26 4.14 -2.06 0.92 7.35 -0.59 -4.95 117.46 119.01 2b9a n PHE 64 Ca 0.02 -3.13 -0.29 0.00 -0.76 0.00 0.00 57.45 53.29 2b9a n PHE 64 Cb 0.72 -2.07 0.19 0.00 0.35 0.00 0.00 39.48 38.67 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 0.99 2.00 0.51 -2.13 -7.23 -1.26 -4.94 120.40 108.34 2b9a s VAL 65 Ca 0.41 -0.11 -0.23 0.00 -1.81 0.00 0.00 61.98 60.25 2b9a s VAL 65 Cb 0.02 -2.89 -0.07 0.00 0.56 0.00 0.00 36.38 34.00 2b9a s VAL 65 CO 0.00 0.00 1.27 1.21 -0.31 0.00 0.00 175.10 177.27 2b9a n GLU 66 N -3.71 1.65 0.00 4.82 0.00 -1.26 -4.77 120.64 117.38 2b9a n GLU 66 Ca 0.17 0.60 0.00 0.00 0.00 0.00 0.00 57.16 57.93 2b9a n GLU 66 Cb 0.59 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 29.58 2b9a n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b9a n GLY 67 N 0.86 -0.64 3.63 8.31 0.00 -0.87 -5.00 105.19 111.47 2b9a n GLY 67 Ca 0.10 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 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 5.23 0.08 -0.61 1.01 -1.26 -0.54 121.20 123.11 2b9a s ILE 68 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 60.65 60.87 2b9a s ILE 68 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2b9a s ILE 68 CO 0.00 0.33 -0.20 -0.31 0.00 0.00 0.00 174.94 174.76 2b9a s TYR 69 N 1.19 2.49 -0.14 3.97 1.51 0.12 -0.95 117.35 125.55 2b9a s TYR 69 Ca 0.07 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 2b9a s TYR 69 Cb -0.14 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 2b9a s TYR 69 CO 0.05 0.31 -0.19 0.21 -1.11 0.00 0.00 175.55 174.82 2b9a s LYS 70 N -1.79 2.68 -0.29 -0.62 2.20 -0.09 -0.72 119.74 121.12 2b9a s LYS 70 Ca 0.16 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 54.97 2b9a s LYS 70 Cb -0.10 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 2b9a s LYS 70 CO 0.07 -0.09 0.08 0.08 -0.36 0.00 0.00 175.35 175.14 2b9a s VAL 71 N 1.02 4.05 -0.22 4.02 1.01 0.04 -0.18 120.40 130.13 2b9a s VAL 71 Ca -0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2b9a s VAL 71 Cb -0.15 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2b9a s VAL 71 CO -0.05 0.13 -0.03 -0.70 0.00 0.00 0.00 175.10 174.45 2b9a s GLU 72 N 1.52 3.41 -0.25 2.72 2.12 0.38 -0.79 118.70 127.82 2b9a s GLU 72 Ca 0.03 -0.61 -0.07 0.00 0.36 0.00 0.00 54.97 54.68 2b9a s GLU 72 Cb -0.17 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 2b9a s GLU 72 CO 0.03 -0.18 0.07 0.42 -0.54 0.00 0.00 175.26 175.05 2b9a s ILE 73 N 1.46 4.29 -1.35 -3.70 1.01 0.80 -0.32 121.20 123.40 2b9a s ILE 73 Ca 0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.38 2b9a s ILE 73 Cb -0.14 -3.00 0.09 0.00 0.01 0.00 0.00 42.46 39.41 2b9a s ILE 73 CO -0.02 0.35 1.93 -0.67 0.00 0.00 0.00 174.94 176.52 2b9a n ASP 74 N 4.87 4.57 -0.23 3.58 2.03 -0.32 -1.43 116.55 129.63 2b9a n ASP 74 Ca -0.16 -2.93 -0.08 0.00 0.52 0.00 0.00 54.79 52.14 2b9a n ASP 74 Cb 0.51 -1.64 0.03 0.00 -0.72 0.00 0.00 41.12 39.31 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 4.49 1.26 -0.24 5.18 1.35 -1.87 -2.84 112.91 120.24 2b9a h THR 75 Ca 0.47 -0.96 0.03 0.00 -0.55 0.00 0.00 66.41 65.39 2b9a h THR 75 Cb 0.73 0.64 -0.03 0.00 -1.73 0.00 0.00 68.15 67.77 2b9a h THR 75 CO 1.64 0.36 0.08 0.50 -0.25 0.00 0.00 175.52 177.85 2b9a h LYS 76 N 0.96 0.18 -0.40 4.72 3.64 -1.66 -1.55 116.57 122.46 2b9a h LYS 76 Ca 0.20 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2b9a h LYS 76 Cb 0.39 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2b9a h LYS 76 CO 0.01 0.12 0.25 0.77 -2.27 0.00 0.00 179.45 178.32 2b9a h SER 77 N 0.19 0.47 0.12 4.20 0.02 -1.82 -0.11 113.55 116.63 2b9a h SER 77 Ca 0.11 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2b9a h SER 77 Cb 0.08 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2b9a h SER 77 CO -0.11 0.36 -0.06 0.22 -1.14 0.00 0.00 176.83 176.10 2b9a h TYR 78 N 0.55 -0.15 -0.26 3.45 3.20 -1.15 -0.37 116.97 122.24 2b9a h TYR 78 Ca 0.15 -0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.83 2b9a h TYR 78 Cb -0.03 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 2b9a h TYR 78 CO 0.00 -0.06 -0.56 -1.49 -1.64 0.00 0.00 178.16 174.42 2b9a h TRP 79 N -0.20 0.99 -0.91 -3.82 4.06 -1.02 -3.05 115.95 112.00 2b9a h TRP 79 Ca -0.02 -0.36 -0.01 0.00 2.06 0.00 0.00 58.89 60.56 2b9a h TRP 79 Cb 0.16 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.09 2b9a h TRP 79 CO -0.06 1.16 0.52 0.87 -3.56 0.00 0.00 178.44 177.38 2b9a h LYS 80 N 0.60 1.26 0.00 0.49 1.57 -0.98 0.58 116.57 120.09 2b9a h LYS 80 Ca 0.01 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2b9a h LYS 80 Cb 1.15 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2b9a h LYS 80 CO 0.12 0.91 0.00 0.00 -0.57 0.00 0.00 179.45 179.90 2b9a n ALA 81 N -2.40 1.19 -0.11 3.86 0.00 -0.16 -2.23 120.51 120.66 2b9a n ALA 81 Ca 0.10 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 2b9a n ALA 81 Cb 0.08 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 2b9a n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2b9a n LEU 82 N -1.43 2.68 0.00 0.00 4.32 0.06 -4.99 117.00 117.64 2b9a n LEU 82 Ca 0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 2b9a n LEU 82 Cb 0.03 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 2b9a n LEU 82 CO 0.02 0.77 0.00 0.61 -1.22 0.00 0.00 177.39 177.58 2b9a n GLY 83 N 2.30 -0.37 3.65 -0.72 0.00 -0.42 -5.13 105.19 104.50 2b9a n GLY 83 Ca -0.39 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 5.33 -0.74 -0.61 1.01 -0.59 -4.95 121.20 120.65 2b9a s ILE 84 Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.62 2b9a s ILE 84 Cb 0.00 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.96 2b9a s ILE 84 CO 0.00 0.31 1.38 -0.55 0.00 0.00 0.00 174.94 176.08 2b9a s SER 85 N 1.21 6.04 0.78 3.58 0.15 -1.26 -3.28 113.70 120.91 2b9a s SER 85 Ca 0.09 -0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.22 2b9a s SER 85 Cb -0.14 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.67 2b9a s SER 85 CO 0.06 -1.91 1.13 -2.16 1.20 0.00 0.00 173.24 171.56 2b9a s PRO 86 N 5.90 2.25 -0.07 5.44 0.04 -1.26 -5.01 135.00 142.29 2b9a s PRO 86 Ca 0.41 0.35 -0.18 0.00 0.04 0.00 0.00 61.00 61.62 2b9a s PRO 86 Cb -0.08 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.36 2b9a s PRO 86 CO 0.14 -1.44 0.68 0.35 0.04 0.00 0.00 177.00 176.77 2b9a h PHE 87 N -0.95 -0.17 -3.91 0.56 3.57 -1.50 -3.48 116.94 111.07 2b9a h PHE 87 Ca -0.46 -0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.57 2b9a h PHE 87 Cb 1.29 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 2b9a h PHE 87 CO 0.41 0.24 0.35 -1.01 -2.23 0.00 0.00 178.31 176.07 2b9a s HIS 88 N -2.92 3.62 0.14 0.41 3.76 -1.26 -4.98 115.29 114.07 2b9a s HIS 88 Ca -0.11 1.76 -0.11 0.00 -0.15 0.00 0.00 55.06 56.45 2b9a s HIS 88 Cb -0.00 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 2b9a s HIS 88 CO 0.39 0.10 1.49 0.93 -0.85 0.00 0.00 174.74 176.81 2b9a h GLU 89 N 3.01 0.95 -2.24 1.40 4.39 -1.98 -3.34 114.58 116.76 2b9a h GLU 89 Ca -0.47 -0.47 0.18 0.00 0.34 0.00 0.00 59.36 58.94 2b9a h GLU 89 Cb 1.19 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.75 2b9a h GLU 89 CO 0.64 1.13 0.52 -3.38 -1.16 0.00 0.00 179.01 176.76 2b9a s HIS 90 N -4.48 -0.15 -0.22 4.33 -3.43 -1.26 -2.92 115.29 107.15 2b9a s HIS 90 Ca -0.11 -0.10 -0.06 0.00 -0.80 0.00 0.00 55.06 53.98 2b9a s HIS 90 Cb 0.11 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.85 2b9a s HIS 90 CO 0.88 -0.73 0.04 0.00 -2.00 0.00 0.00 174.74 172.93 2b9a s ALA 91 N -3.17 3.13 -0.08 -1.38 0.00 -0.52 -4.89 121.76 114.85 2b9a s ALA 91 Ca 0.11 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 2b9a s ALA 91 Cb -0.01 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2b9a s ALA 91 CO -0.00 -0.27 0.05 -1.21 0.00 0.00 0.00 175.76 174.34 2b9a s GLU 92 N 1.21 3.13 -0.19 0.00 2.02 -1.26 -0.14 118.70 123.46 2b9a s GLU 92 Ca 0.04 -0.34 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 2b9a s GLU 92 Cb -0.14 -2.92 0.05 0.00 0.10 0.00 0.00 34.13 31.22 2b9a s GLU 92 CO 0.02 0.72 -0.04 0.08 0.02 0.00 0.00 175.26 176.06 2b9a s VAL 93 N -0.98 1.14 -0.13 2.63 1.01 0.03 -4.96 120.40 119.15 2b9a s VAL 93 Ca 0.15 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2b9a s VAL 93 Cb -0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2b9a s VAL 93 CO 0.05 -0.00 -0.15 -0.69 0.00 0.00 0.00 175.10 174.30 2b9a s VAL 94 N 1.60 2.83 0.04 2.92 1.01 -1.26 -0.78 120.40 126.75 2b9a s VAL 94 Ca -0.02 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 2b9a s VAL 94 Cb -0.17 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.11 2b9a s VAL 94 CO -0.07 0.53 0.61 0.72 0.00 0.00 0.00 175.10 176.89 2b9a s PHE 95 N 0.39 -0.56 -0.04 5.22 -0.71 0.10 -4.98 117.98 117.41 2b9a s PHE 95 Ca -0.12 0.71 -0.25 0.00 -1.04 0.00 0.00 56.93 56.23 2b9a s PHE 95 Cb -0.16 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 2b9a s PHE 95 CO 0.06 -0.69 0.77 0.99 -1.34 0.00 0.00 175.22 175.01 2b9a s THR 96 N -2.28 4.97 0.10 -4.49 2.01 -1.26 0.16 115.64 114.84 2b9a s THR 96 Ca -0.06 1.60 0.10 0.00 0.31 0.00 0.00 61.69 63.64 2b9a s THR 96 Cb -0.01 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2b9a s THR 96 CO 0.00 0.25 -0.26 0.00 -0.69 0.00 0.00 174.62 173.92 2b9a s ALA 97 N 0.72 2.24 -1.80 7.40 0.00 0.30 -4.78 121.76 125.84 2b9a s ALA 97 Ca 0.41 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2b9a s ALA 97 Cb -0.19 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2b9a s ALA 97 CO 0.21 0.51 0.00 0.09 0.00 0.00 0.00 175.76 176.57 2b9a n ASN 98 N 1.21 -5.35 0.02 0.00 3.02 -1.26 -2.04 115.26 110.86 2b9a n ASN 98 Ca -0.18 0.22 0.13 0.00 -0.03 0.00 0.00 54.58 54.73 2b9a n ASN 98 Cb 0.53 -4.45 0.51 0.00 -0.61 0.00 0.00 39.78 35.76 2b9a n ASN 98 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2b9a n ASP 99 N -1.31 0.26 -2.76 6.41 2.03 -1.26 -2.80 116.55 117.11 2b9a n ASP 99 Ca -0.21 0.41 -0.26 0.00 0.52 0.00 0.00 54.79 55.26 2b9a n ASP 99 Cb 0.64 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 40.57 2b9a n ASP 99 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2b9a n SER 100 N -1.69 4.21 0.00 1.67 3.41 -1.26 -5.09 113.62 114.87 2b9a n SER 100 Ca 0.06 -3.61 0.00 0.00 -0.26 0.00 0.00 58.87 55.06 2b9a n SER 100 Cb 0.36 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2b9a n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b9a n GLY 101 N -0.30 -1.09 3.70 5.00 0.00 -1.12 -4.94 105.19 106.44 2b9a n GLY 101 Ca 0.33 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 2b9a n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b9a s PRO 102 N -1.88 4.13 0.29 1.61 0.04 -1.26 -4.33 135.00 133.60 2b9a s PRO 102 Ca 0.00 2.59 0.09 0.00 0.04 0.00 0.00 61.00 63.72 2b9a s PRO 102 Cb 0.00 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 2b9a s PRO 102 CO 0.00 -0.80 -0.11 1.03 0.04 0.00 0.00 177.00 177.16 2b9a s ARG 103 N 2.00 1.64 -0.19 4.56 1.81 -1.26 -4.91 118.95 122.59 2b9a s ARG 103 Ca 0.78 -1.81 -0.08 0.00 -1.72 0.00 0.00 55.73 52.91 2b9a s ARG 103 Cb -0.48 -1.45 -0.04 0.00 -0.45 0.00 0.00 34.95 32.53 2b9a s ARG 103 CO 0.34 0.15 0.07 1.03 -0.68 0.00 0.00 175.30 176.21 2b9a s ARG 104 N -3.63 3.95 -0.15 3.54 1.81 -0.55 -4.88 118.95 119.04 2b9a s ARG 104 Ca 0.30 -0.35 0.01 0.00 -1.72 0.00 0.00 55.73 53.97 2b9a s ARG 104 Cb 0.01 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.27 2b9a s ARG 104 CO 0.13 0.22 -0.18 0.71 -0.68 0.00 0.00 175.30 175.50 2b9a s TYR 105 N 0.54 2.74 -0.18 -0.53 1.51 0.02 -1.47 117.35 119.99 2b9a s TYR 105 Ca 0.04 -1.21 -0.03 0.00 -1.01 0.00 0.00 57.07 54.86 2b9a s TYR 105 Cb -0.13 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 2b9a s TYR 105 CO 0.01 -0.56 -0.05 0.99 -1.11 0.00 0.00 175.55 174.83 2b9a s THR 106 N 0.87 3.61 -0.24 -0.71 2.01 0.46 -1.26 115.64 120.38 2b9a s THR 106 Ca -0.05 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 2b9a s THR 106 Cb -0.15 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.76 2b9a s THR 106 CO -0.02 0.47 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.72 2b9a s ILE 107 N 0.77 3.36 0.07 1.82 -1.09 -0.17 -0.90 121.20 125.06 2b9a s ILE 107 Ca -0.02 -0.63 0.07 0.00 -2.23 0.00 0.00 60.65 57.83 2b9a s ILE 107 Cb -0.15 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 2b9a s ILE 107 CO 0.02 0.32 -0.13 0.00 -1.23 0.00 0.00 174.94 173.92 2b9a s ALA 108 N 1.45 2.82 0.00 9.38 0.00 -0.28 -0.76 121.76 134.37 2b9a s ALA 108 Ca 0.04 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 2b9a s ALA 108 Cb -0.15 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 2b9a s ALA 108 CO -0.03 0.61 0.00 0.00 0.00 0.00 0.00 175.76 176.35 2b9a s ALA 109 N -1.09 0.01 -0.16 0.00 0.00 0.13 -1.34 121.76 119.31 2b9a s ALA 109 Ca 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.94 2b9a s ALA 109 Cb -0.11 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2b9a s ALA 109 CO 0.10 -0.08 -0.18 -1.17 0.00 0.00 0.00 175.76 174.43 2b9a s LEU 110 N -0.63 1.98 -0.09 0.00 2.96 -0.38 -0.97 118.68 121.54 2b9a s LEU 110 Ca -0.07 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.25 2b9a s LEU 110 Cb -0.04 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 2b9a s LEU 110 CO -0.00 -0.00 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.20 2b9a s LEU 111 N 1.25 3.16 0.10 -0.68 1.43 -0.20 -1.38 118.68 122.36 2b9a s LEU 111 Ca 0.02 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2b9a s LEU 111 Cb -0.13 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2b9a s LEU 111 CO -0.10 0.30 -0.07 -0.44 0.23 0.00 0.00 176.35 176.27 2b9a s SER 112 N -0.45 1.22 0.47 2.29 0.01 0.22 -0.91 113.70 116.55 2b9a s SER 112 Ca 0.07 -0.97 0.18 0.00 1.31 0.00 0.00 55.95 56.54 2b9a s SER 112 Cb -0.12 0.08 1.18 0.00 0.21 0.00 0.00 66.02 67.36 2b9a s SER 112 CO 0.02 -0.43 1.99 -0.65 0.41 0.00 0.00 173.24 174.58 2b9a h PRO 113 N 3.06 0.23 -0.07 12.44 0.11 -1.99 -2.80 132.00 142.98 2b9a h PRO 113 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2b9a h PRO 113 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2b9a h PRO 113 CO 0.63 0.15 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 2b9a n TYR 114 N -4.44 0.18 -3.59 0.65 4.02 -1.26 -1.15 117.16 111.57 2b9a n TYR 114 Ca 0.10 -0.80 -0.16 0.00 -0.01 0.00 0.00 57.90 57.03 2b9a n TYR 114 Cb 0.46 -0.14 -0.07 0.00 -0.02 0.00 0.00 39.34 39.58 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 -2.04 -0.66 0.08 7.72 0.15 -1.06 -4.98 113.70 112.92 2b9a s SER 115 Ca 0.24 0.99 -0.05 0.00 0.70 0.00 0.00 55.95 57.83 2b9a s SER 115 Cb 0.20 0.92 -0.02 0.00 -1.71 0.00 0.00 66.02 65.41 2b9a s SER 115 CO 0.04 -0.43 0.11 -0.72 1.20 0.00 0.00 173.24 173.44 2b9a s TYR 116 N -0.48 0.37 0.35 3.44 -0.85 -1.26 -0.61 117.35 118.31 2b9a s TYR 116 Ca -0.06 -0.83 0.06 0.00 -0.52 0.00 0.00 57.07 55.72 2b9a s TYR 116 Cb -0.02 -0.22 -0.07 0.00 0.38 0.00 0.00 41.96 42.03 2b9a s TYR 116 CO 0.06 -0.50 -0.00 -1.54 -1.52 0.00 0.00 175.55 172.04 2b9a s SER 117 N -2.91 3.23 -0.03 -0.18 1.04 -0.48 -4.98 113.70 109.38 2b9a s SER 117 Ca 0.08 -1.31 -0.25 0.00 0.48 0.00 0.00 55.95 54.95 2b9a s SER 117 Cb 0.06 -0.26 0.05 0.00 0.10 0.00 0.00 66.02 65.97 2b9a s SER 117 CO -0.09 -0.44 0.54 0.28 0.98 0.00 0.00 173.24 174.51 2b9a s THR 118 N -2.92 0.02 0.05 2.02 -1.32 -1.26 -1.25 115.64 110.98 2b9a s THR 118 Ca 0.34 -0.19 -0.09 0.00 -1.21 0.00 0.00 61.69 60.54 2b9a s THR 118 Cb 0.07 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 2b9a s THR 118 CO 0.16 -0.10 0.19 0.28 -2.21 0.00 0.00 174.62 172.94 2b9a s THR 119 N -1.27 0.12 -0.07 5.08 -1.32 -0.45 -5.00 115.64 112.73 2b9a s THR 119 Ca -0.12 -0.96 0.03 0.00 -1.21 0.00 0.00 61.69 59.43 2b9a s THR 119 Cb -0.02 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.95 2b9a s THR 119 CO 0.08 -0.53 -0.13 0.00 -2.21 0.00 0.00 174.62 171.83 2b9a s ALA 120 N -2.81 2.69 -0.16 11.08 0.00 -1.26 -1.13 121.76 130.17 2b9a s ALA 120 Ca -0.03 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2b9a s ALA 120 Cb 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 22.08 2b9a s ALA 120 CO -0.05 0.50 -0.17 0.08 0.00 0.00 0.00 175.76 176.11 2b9a s VAL 121 N -0.53 2.41 -0.12 0.00 1.01 -0.08 -4.98 120.40 118.11 2b9a s VAL 121 Ca 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2b9a s VAL 121 Cb -0.12 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2b9a s VAL 121 CO 0.02 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.83 2b9a s VAL 122 N 1.00 1.34 0.29 2.92 1.01 -1.26 -0.40 120.40 125.30 2b9a s VAL 122 Ca -0.02 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.50 2b9a s VAL 122 Cb -0.15 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.90 2b9a s VAL 122 CO -0.04 0.42 0.02 0.42 0.00 0.00 0.00 175.10 175.91 2b9a s THR 123 N 1.43 1.25 0.00 3.92 -4.23 -0.54 -4.97 115.64 112.50 2b9a s THR 123 Ca 0.02 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2b9a s THR 123 Cb -0.13 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.11 2b9a s THR 123 CO -0.07 -0.15 0.18 -3.20 -0.54 0.00 0.00 174.62 170.83