#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8a n SER 2 N 0.00 1.52 -3.40 7.83 7.64 -1.26 -4.98 113.62 120.97 2b8a n SER 2 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 2b8a n SER 2 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2b8a n SER 2 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2b8a s ARG 3 N -1.88 0.68 -0.49 1.43 3.00 -1.26 -5.08 118.95 115.35 2b8a s ARG 3 Ca 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 55.73 54.19 2b8a s ARG 3 Cb 0.00 -1.20 0.13 0.00 0.00 0.00 0.00 34.95 33.88 2b8a s ARG 3 CO 0.00 -1.27 0.33 0.45 0.00 0.00 0.00 175.30 174.81 2b8a s SER 4 N 0.82 5.53 0.00 0.23 0.15 -1.26 -4.64 113.70 114.53 2b8a s SER 4 Ca 0.23 -2.13 0.00 0.00 0.70 0.00 0.00 55.95 54.75 2b8a s SER 4 Cb -0.13 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2b8a s SER 4 CO -0.06 -0.59 0.00 -3.20 1.20 0.00 0.00 173.24 170.59 2b8a n ASN 5 N 4.55 0.00 -4.03 5.45 5.15 -1.26 -5.08 115.26 120.04 2b8a n ASN 5 Ca -0.03 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.64 2b8a n ASN 5 Cb 0.41 0.07 -0.15 0.00 -0.53 0.00 0.00 39.78 39.58 2b8a n ASN 5 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2b8a s ARG 6 N -1.31 1.58 0.41 1.20 3.52 -1.26 -5.10 118.95 117.99 2b8a s ARG 6 Ca 0.00 -1.82 0.06 0.00 -0.13 0.00 0.00 55.73 53.83 2b8a s ARG 6 Cb 0.00 -3.19 0.07 0.00 -1.56 0.00 0.00 34.95 30.27 2b8a s ARG 6 CO 0.00 -0.91 0.57 1.04 -0.81 0.00 0.00 175.30 175.20 2b8a n GLN 7 N 4.28 0.64 0.00 5.12 6.02 -1.26 -5.13 117.38 127.05 2b8a n GLN 7 Ca 0.02 -2.12 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 2b8a n GLN 7 Cb 0.42 -0.21 0.00 0.00 1.02 0.00 0.00 30.24 31.47 2b8a n GLN 7 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2b8a n LYS 8 N -1.93 0.00 0.00 -1.09 2.85 -1.26 -5.17 118.16 111.57 2b8a n LYS 8 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2b8a n LYS 8 Cb 0.41 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.79 2b8a n LYS 8 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2b8a n GLU 9 N 0.00 0.00 -4.46 -1.58 0.00 -1.26 -5.09 120.64 108.25 2b8a n GLU 9 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.94 2b8a n GLU 9 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 2b8a n GLU 9 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2b8a s TYR 10 N -1.99 2.05 0.15 4.31 1.51 -1.26 -5.16 117.35 116.97 2b8a s TYR 10 Ca 0.00 -0.69 -0.01 0.00 -1.01 0.00 0.00 57.07 55.36 2b8a s TYR 10 Cb 0.00 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2b8a s TYR 10 CO 0.00 0.31 0.06 0.15 -1.11 0.00 0.00 175.55 174.96 2b8a s LYS 11 N -3.72 1.00 0.05 -0.62 -0.14 -1.26 -5.08 119.74 109.97 2b8a s LYS 11 Ca 0.31 -1.48 -0.35 0.00 -1.36 0.00 0.00 55.97 53.08 2b8a s LYS 11 Cb 0.04 0.15 -0.14 0.00 -1.68 0.00 0.00 37.83 36.21 2b8a s LYS 11 CO 0.13 -0.26 1.60 0.00 -0.76 0.00 0.00 175.35 176.07 2b8a n GLY 13 N 3.49 1.40 3.77 0.00 0.00 0.20 -4.95 105.19 109.09 2b8a n GLY 13 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2b8a n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b8a s ASP 14 N -1.74 6.84 -0.29 1.61 2.15 -0.38 -4.71 116.67 120.14 2b8a s ASP 14 Ca 0.00 2.32 -0.19 0.00 0.43 0.00 0.00 52.55 55.11 2b8a s ASP 14 Cb 0.00 -2.62 -0.01 0.00 -0.30 0.00 0.00 42.92 39.99 2b8a s ASP 14 CO 0.00 -0.45 0.58 -0.76 -0.17 0.00 0.00 175.17 174.36 2b8a s LEU 15 N -2.07 4.14 0.26 -1.34 1.43 -1.26 -1.03 118.68 118.80 2b8a s LEU 15 Ca 0.52 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 2b8a s LEU 15 Cb -0.31 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2b8a s LEU 15 CO 0.40 -0.41 0.19 0.68 0.23 0.00 0.00 176.35 177.44 2b8a s VAL 16 N 2.48 0.01 -0.07 -1.59 -7.23 -0.08 -2.03 120.40 111.89 2b8a s VAL 16 Ca 0.23 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 2b8a s VAL 16 Cb -0.15 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2b8a s VAL 16 CO 0.11 0.00 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.41 2b8a s PHE 17 N -3.85 2.77 -0.19 2.82 0.08 0.10 -0.92 117.98 118.79 2b8a s PHE 17 Ca 0.40 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 57.20 2b8a s PHE 17 Cb 0.05 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.80 2b8a s PHE 17 CO 0.19 0.12 -0.09 0.00 -0.10 0.00 0.00 175.22 175.34 2b8a s ALA 18 N -0.49 2.70 -0.09 5.36 0.00 -1.06 -1.63 121.76 126.54 2b8a s ALA 18 Ca 0.07 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 2b8a s ALA 18 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2b8a s ALA 18 CO 0.02 -0.25 0.50 0.21 0.00 0.00 0.00 175.76 176.24 2b8a s LYS 19 N 1.17 4.31 0.17 0.00 2.47 -0.95 -1.90 119.74 125.00 2b8a s LYS 19 Ca 0.02 0.52 0.09 0.00 -1.56 0.00 0.00 55.97 55.03 2b8a s LYS 19 Cb -0.14 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.78 2b8a s LYS 19 CO -0.03 0.22 -0.19 -1.64 0.16 0.00 0.00 175.35 173.88 2b8a s MET 20 N 0.39 1.29 -0.35 4.03 -1.94 -1.23 -4.94 119.30 116.55 2b8a s MET 20 Ca 0.27 -1.42 -0.29 0.00 -1.71 0.00 0.00 55.69 52.55 2b8a s MET 20 Cb -0.16 -1.36 -0.00 0.00 2.01 0.00 0.00 34.83 35.32 2b8a s MET 20 CO 0.12 0.28 1.51 -1.59 -0.01 0.00 0.00 175.02 175.32 2b8a s LYS 21 N -2.80 3.61 0.00 2.03 0.00 -1.26 -2.36 119.74 118.96 2b8a s LYS 21 Ca 0.16 1.19 0.00 0.00 0.00 0.00 0.00 55.97 57.32 2b8a s LYS 21 Cb -0.06 -4.04 0.00 0.00 0.00 0.00 0.00 37.83 33.73 2b8a s LYS 21 CO 0.07 -1.52 0.00 0.41 0.00 0.00 0.00 175.35 174.30 2b8a n GLY 22 N 4.98 0.52 3.14 0.59 0.00 -1.26 -5.07 105.19 108.09 2b8a n GLY 22 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 2b8a n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b8a s TYR 23 N -2.00 -0.01 0.78 1.61 2.02 -1.00 -5.10 117.35 113.66 2b8a s TYR 23 Ca 0.00 -0.05 -0.12 0.00 -0.37 0.00 0.00 57.07 56.54 2b8a s TYR 23 Cb 0.00 -0.01 0.06 0.00 -0.40 0.00 0.00 41.96 41.61 2b8a s TYR 23 CO 0.00 -0.32 1.13 -1.25 -1.57 0.00 0.00 175.55 173.54 2b8a s PRO 24 N -1.44 2.23 -0.34 -1.71 0.04 -1.26 -3.50 135.00 129.02 2b8a s PRO 24 Ca -0.14 0.36 -0.40 0.00 0.04 0.00 0.00 61.00 60.87 2b8a s PRO 24 Cb -0.07 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.36 2b8a s PRO 24 CO 0.02 -1.46 1.93 0.72 0.04 0.00 0.00 177.00 178.25 2b8a n HIS 25 N -3.27 1.79 -3.65 0.56 8.25 -1.26 -4.61 115.22 113.02 2b8a n HIS 25 Ca 0.07 0.51 -0.36 0.00 -0.26 0.00 0.00 57.72 57.69 2b8a n HIS 25 Cb 0.58 -2.45 -0.07 0.00 1.12 0.00 0.00 29.99 29.17 2b8a n HIS 25 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2b8a s TRP 26 N 5.00 3.45 -0.14 4.41 -0.11 -0.80 -4.84 118.94 125.91 2b8a s TRP 26 Ca 1.05 0.47 -0.35 0.00 1.22 0.00 0.00 56.10 58.49 2b8a s TRP 26 Cb -1.08 -2.22 -0.12 0.00 -1.50 0.00 0.00 33.47 28.54 2b8a s TRP 26 CO 0.62 0.30 1.90 -0.35 -4.62 0.00 0.00 176.95 174.80 2b8a n PRO 27 N 3.41 1.96 -4.16 5.86 -0.04 -1.26 -2.58 135.00 138.18 2b8a n PRO 27 Ca -0.14 0.70 -0.15 0.00 -0.04 0.00 0.00 63.50 63.87 2b8a n PRO 27 Cb 0.52 -2.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.33 2b8a n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b8a s ALA 28 N 4.40 1.08 0.05 0.55 0.00 -0.10 -2.31 121.76 125.43 2b8a s ALA 28 Ca 0.95 -1.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 2b8a s ALA 28 Cb -0.74 1.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 2b8a s ALA 28 CO 0.53 -0.71 0.07 0.50 0.00 0.00 0.00 175.76 176.15 2b8a s ARG 29 N -3.53 0.63 0.12 0.00 3.52 -0.94 -0.90 118.95 117.84 2b8a s ARG 29 Ca 0.35 -0.91 -0.28 0.00 -0.13 0.00 0.00 55.73 54.75 2b8a s ARG 29 Cb 0.02 0.24 -0.07 0.00 -1.56 0.00 0.00 34.95 33.59 2b8a s ARG 29 CO 0.19 -0.15 0.89 0.42 -0.81 0.00 0.00 175.30 175.84 2b8a s ILE 30 N -3.14 4.47 0.00 4.11 -1.09 -0.19 -1.76 121.20 123.59 2b8a s ILE 30 Ca -0.00 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.34 2b8a s ILE 30 Cb 0.02 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 2b8a s ILE 30 CO -0.07 0.38 0.00 -0.67 -1.23 0.00 0.00 174.94 173.35 2b8a n ASP 31 N 2.43 2.72 -3.47 3.58 2.03 -0.98 0.61 116.55 123.47 2b8a n ASP 31 Ca -0.01 -0.13 -0.10 0.00 0.52 0.00 0.00 54.79 55.07 2b8a n ASP 31 Cb 0.49 0.80 -0.02 0.00 -0.72 0.00 0.00 41.12 41.67 2b8a n ASP 31 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2b8a s GLU 32 N -1.35 1.07 -0.10 -0.67 2.02 -1.24 -4.88 118.70 113.55 2b8a s GLU 32 Ca 0.00 -0.40 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 2b8a s GLU 32 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 34.13 34.76 2b8a s GLU 32 CO 0.00 -0.47 0.22 -1.64 0.02 0.00 0.00 175.26 173.39 2b8a s MET 33 N -3.45 0.16 0.84 1.61 -1.94 -1.26 -3.41 119.30 111.86 2b8a s MET 33 Ca 0.03 0.52 -0.14 0.00 -1.71 0.00 0.00 55.69 54.39 2b8a s MET 33 Cb -0.01 -0.13 0.02 0.00 2.01 0.00 0.00 34.83 36.71 2b8a s MET 33 CO -0.11 -0.19 0.58 -2.30 -0.01 0.00 0.00 175.02 173.00 2b8a n PRO 34 N 4.41 0.01 0.00 2.03 -0.02 -1.26 -4.97 135.00 135.19 2b8a n PRO 34 Ca -0.22 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2b8a n PRO 34 Cb 0.52 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2b8a n PRO 34 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2b8a n GLU 35 N -1.59 0.00 0.00 -0.52 2.13 -1.26 -4.97 120.64 114.43 2b8a n GLU 35 Ca 0.09 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.38 2b8a n GLU 35 Cb 0.52 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.93 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2b8a n ALA 36 N -1.91 0.00 -2.72 4.31 0.00 -1.26 -5.05 120.51 113.88 2b8a n ALA 36 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2b8a n ALA 36 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2b8a n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b8a n ALA 37 N -1.30 -2.44 -2.93 0.00 0.00 -1.26 -5.05 120.51 107.53 2b8a n ALA 37 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 53.44 52.55 2b8a n ALA 37 Cb 0.00 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 2b8a n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2b8a s VAL 38 N 0.71 0.09 0.00 0.00 -7.23 -1.26 -5.14 120.40 107.57 2b8a s VAL 38 Ca 0.29 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 2b8a s VAL 38 Cb 0.13 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.98 2b8a s VAL 38 CO -0.13 -0.40 0.00 2.29 -0.31 0.00 0.00 175.10 176.56 2b8a n LYS 39 N 0.20 0.00 -3.21 4.82 2.85 -1.26 -4.36 118.16 117.19 2b8a n LYS 39 Ca -0.17 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.66 2b8a n LYS 39 Cb 0.61 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.92 2b8a n LYS 39 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2b8a s SER 40 N -4.00 6.26 0.00 -5.58 0.15 -1.26 -4.77 113.70 104.50 2b8a s SER 40 Ca 0.00 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2b8a s SER 40 Cb 0.00 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2b8a s SER 40 CO 0.00 -0.68 0.00 0.35 1.20 0.00 0.00 173.24 174.11 2b8a n THR 41 N 5.65 0.00 -4.07 6.45 -2.24 -1.26 -5.03 114.28 113.77 2b8a n THR 41 Ca -0.04 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 2b8a n THR 41 Cb 0.48 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 2b8a n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b8a n ALA 42 N 0.00 -1.16 -3.43 6.98 0.00 -1.26 -0.20 120.51 121.43 2b8a n ALA 42 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 2b8a n ALA 42 Cb 0.00 -2.20 0.07 0.00 0.00 0.00 0.00 19.45 17.31 2b8a n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2b8a n ASN 43 N -2.28 -4.46 -3.96 0.00 3.02 -1.26 -5.02 115.26 101.30 2b8a n ASN 43 Ca 0.09 -0.75 -0.12 0.00 -0.03 0.00 0.00 54.58 53.77 2b8a n ASN 43 Cb 0.47 -4.75 -0.13 0.00 -0.61 0.00 0.00 39.78 34.76 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2b8a s LYS 44 N -5.10 0.29 0.35 3.52 1.02 0.72 -4.74 119.74 115.80 2b8a s LYS 44 Ca 0.28 -0.40 0.06 0.00 0.02 0.00 0.00 55.97 55.93 2b8a s LYS 44 Cb -0.05 -0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 2b8a s LYS 44 CO 0.77 0.01 0.49 0.71 -0.92 0.00 0.00 175.35 176.41 2b8a s TYR 45 N -0.81 3.10 -0.36 3.18 2.02 -0.74 -4.53 117.35 119.21 2b8a s TYR 45 Ca -0.07 -0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 56.30 2b8a s TYR 45 Cb -0.06 -2.04 -0.00 0.00 -0.40 0.00 0.00 41.96 39.45 2b8a s TYR 45 CO -0.00 -0.06 0.24 -1.14 -1.57 0.00 0.00 175.55 173.01 2b8a s GLN 46 N -4.21 3.29 -0.06 -0.62 0.74 -1.22 -2.17 119.66 115.41 2b8a s GLN 46 Ca 0.46 -0.78 -0.03 0.00 0.05 0.00 0.00 55.36 55.06 2b8a s GLN 46 Cb -0.10 -3.81 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 2b8a s GLN 46 CO 0.32 -0.54 0.08 0.08 -0.55 0.00 0.00 175.29 174.68 2b8a s VAL 47 N 1.68 4.90 -0.25 1.34 1.01 -0.42 -2.31 120.40 126.35 2b8a s VAL 47 Ca 0.05 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 2b8a s VAL 47 Cb -0.18 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2b8a s VAL 47 CO 0.09 0.49 0.09 0.12 0.00 0.00 0.00 175.10 175.90 2b8a s PHE 48 N -1.08 3.12 -0.45 5.22 5.36 -0.72 -2.55 117.98 126.89 2b8a s PHE 48 Ca 0.18 -0.27 -0.19 0.00 -0.96 0.00 0.00 56.93 55.69 2b8a s PHE 48 Cb -0.12 -2.24 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 2b8a s PHE 48 CO 0.08 -0.26 0.56 -0.06 -1.46 0.00 0.00 175.22 174.08 2b8a s PHE 49 N 1.48 3.10 1.42 10.12 0.08 0.98 -2.22 117.98 132.94 2b8a s PHE 49 Ca 0.06 -0.32 -0.22 0.00 0.12 0.00 0.00 56.93 56.57 2b8a s PHE 49 Cb -0.15 -3.23 0.36 0.00 -0.57 0.00 0.00 43.02 39.43 2b8a s PHE 49 CO 0.05 -0.85 0.86 1.19 -0.10 0.00 0.00 175.22 176.37 2b8a n PHE 50 N 5.97 -3.32 0.00 0.36 3.72 -0.98 0.12 117.46 123.34 2b8a n PHE 50 Ca -0.05 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.68 2b8a n PHE 50 Cb 0.47 -1.40 0.00 0.00 -0.94 0.00 0.00 39.48 37.61 2b8a n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b8a n GLY 51 N 1.79 0.80 0.10 1.37 0.00 -1.25 -3.32 105.19 104.67 2b8a n GLY 51 Ca 0.11 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.17 2b8a n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b8a n THR 52 N 0.00 0.87 -3.12 2.61 -2.24 -1.24 -4.76 114.28 106.40 2b8a n THR 52 Ca 0.00 -0.62 -0.19 0.00 -2.27 0.00 0.00 64.05 60.97 2b8a n THR 52 Cb 0.00 -0.51 0.05 0.00 -2.10 0.00 0.00 70.33 67.77 2b8a n THR 52 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2b8a n HIS 53 N -2.75 -1.95 -3.25 4.78 -0.00 0.33 -5.00 115.22 107.38 2b8a n HIS 53 Ca -0.06 0.61 -0.29 0.00 -0.00 0.00 0.00 57.72 57.98 2b8a n HIS 53 Cb 0.71 -4.05 -0.03 0.00 -0.00 0.00 0.00 29.99 26.62 2b8a n HIS 53 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2b8a s GLU 54 N -5.75 3.67 0.00 -0.41 2.02 -0.78 -4.75 118.70 112.71 2b8a s GLU 54 Ca 0.35 0.12 0.07 0.00 0.02 0.00 0.00 54.97 55.53 2b8a s GLU 54 Cb -0.16 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 2b8a s GLU 54 CO 0.44 0.18 -0.22 0.95 0.02 0.00 0.00 175.26 176.63 2b8a s THR 55 N -2.12 1.71 0.23 3.63 -4.23 -1.26 -0.01 115.64 113.59 2b8a s THR 55 Ca 0.46 -1.02 -0.17 0.00 -1.18 0.00 0.00 61.69 59.78 2b8a s THR 55 Cb -0.11 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.31 2b8a s THR 55 CO 0.29 0.40 0.55 0.00 -0.54 0.00 0.00 174.62 175.32 2b8a s ALA 56 N -0.60 -0.78 -0.21 3.99 0.00 -1.06 -5.01 121.76 118.10 2b8a s ALA 56 Ca 0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 2b8a s ALA 56 Cb -0.08 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2b8a s ALA 56 CO 0.00 -0.87 0.02 -0.06 0.00 0.00 0.00 175.76 174.86 2b8a s PHE 57 N -3.93 3.08 0.08 0.00 0.40 -1.26 -1.30 117.98 115.06 2b8a s PHE 57 Ca 0.14 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 2b8a s PHE 57 Cb -0.02 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 2b8a s PHE 57 CO 0.03 -0.19 0.01 -0.51 0.70 0.00 0.00 175.22 175.26 2b8a s LEU 58 N 0.99 2.19 0.41 -0.37 1.02 -0.92 -4.92 118.68 117.08 2b8a s LEU 58 Ca 0.02 -1.07 0.01 0.00 0.02 0.00 0.00 54.13 53.11 2b8a s LEU 58 Cb -0.14 0.26 -0.01 0.00 0.02 0.00 0.00 46.19 46.32 2b8a s LEU 58 CO 0.02 -0.65 0.62 -0.83 0.02 0.00 0.00 176.35 175.53 2b8a s GLY 59 N -2.97 1.50 0.53 -3.19 0.00 -1.26 -1.79 107.32 100.14 2b8a s GLY 59 Ca 0.13 -1.03 0.36 0.00 0.00 0.00 0.00 44.72 44.18 2b8a s GLY 59 CO -0.06 -0.90 2.10 -0.56 0.00 0.00 0.00 173.10 173.68 2b8a h PRO 60 N 0.54 0.00 0.00 2.90 0.13 -1.94 -1.15 132.00 132.49 2b8a h PRO 60 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2b8a h PRO 60 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2b8a h PRO 60 CO 0.58 0.00 -0.37 1.57 -0.23 0.00 0.00 178.00 179.55 2b8a h LYS 61 N 0.00 0.00 -0.68 0.86 2.10 -2.00 -2.34 116.57 114.52 2b8a h LYS 61 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2b8a h LYS 61 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2b8a h LYS 61 CO 0.00 0.37 0.00 -0.25 -2.00 0.00 0.00 179.45 177.57 2b8a n ASP 62 N -3.88 4.10 -4.65 7.07 8.00 -0.44 -4.91 116.55 121.84 2b8a n ASP 62 Ca -0.01 -2.19 -0.35 0.00 0.71 0.00 0.00 54.79 52.94 2b8a n ASP 62 Cb 0.43 -0.51 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 2b8a n ASP 62 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2b8a s LEU 63 N -1.35 3.51 0.03 0.64 1.02 -0.88 -2.24 118.68 119.40 2b8a s LEU 63 Ca 0.47 0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.73 2b8a s LEU 63 Cb 0.27 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.66 2b8a s LEU 63 CO 0.28 0.35 -0.06 -0.36 0.02 0.00 0.00 176.35 176.58 2b8a s PHE 64 N -0.70 0.48 -0.27 0.29 0.40 -0.65 -4.89 117.98 112.65 2b8a s PHE 64 Ca 0.11 -0.42 -0.28 0.00 -0.60 0.00 0.00 56.93 55.74 2b8a s PHE 64 Cb -0.12 -0.30 -0.04 0.00 0.51 0.00 0.00 43.02 43.07 2b8a s PHE 64 CO 0.02 -0.10 2.15 -1.25 0.70 0.00 0.00 175.22 176.74 2b8a s PRO 65 N -1.24 3.08 0.12 0.24 0.04 -1.26 0.00 135.00 135.98 2b8a s PRO 65 Ca -0.09 1.84 -0.32 0.00 0.04 0.00 0.00 61.00 62.47 2b8a s PRO 65 Cb -0.08 -4.36 -0.10 0.00 0.04 0.00 0.00 34.50 30.01 2b8a s PRO 65 CO -0.00 -2.16 1.57 -0.92 0.04 0.00 0.00 177.00 175.53 2b8a h TYR 66 N 14.99 -1.33 -1.00 0.56 3.20 -1.69 0.12 116.97 131.82 2b8a h TYR 66 Ca -0.38 0.04 0.20 0.00 3.14 0.00 0.00 58.73 61.73 2b8a h TYR 66 Cb 1.23 0.58 -0.11 0.00 1.54 0.00 0.00 36.73 39.97 2b8a h TYR 66 CO 0.95 -0.53 0.61 0.93 -1.64 0.00 0.00 178.16 178.48 2b8a h GLU 67 N -0.61 0.69 -0.33 1.82 3.07 -1.90 2.15 114.58 119.47 2b8a h GLU 67 Ca 0.04 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.68 2b8a h GLU 67 Cb 0.68 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2b8a h GLU 67 CO -0.34 0.46 -0.48 0.93 -1.40 0.00 0.00 179.01 178.18 2b8a h GLU 68 N 0.72 0.91 -0.48 2.33 5.08 -1.68 -3.26 114.58 118.19 2b8a h GLU 68 Ca 0.58 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2b8a h GLU 68 Cb 0.97 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2b8a h GLU 68 CO -0.38 1.18 0.00 -1.13 -1.00 0.00 0.00 179.01 177.68 2b8a n SER 69 N -4.03 3.50 -0.18 1.42 3.41 0.33 -4.60 113.62 113.47 2b8a n SER 69 Ca -0.03 -2.13 -0.03 0.00 -0.26 0.00 0.00 58.87 56.41 2b8a n SER 69 Cb 0.60 -0.37 0.07 0.00 -0.26 0.00 0.00 64.21 64.25 2b8a n SER 69 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2b8a h LYS 70 N 2.86 0.47 0.00 4.33 2.10 0.34 0.36 116.57 127.03 2b8a h LYS 70 Ca 0.00 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.55 2b8a h LYS 70 Cb 0.94 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 2b8a h LYS 70 CO 0.04 0.31 -0.34 0.93 -2.00 0.00 0.00 179.45 178.39 2b8a h GLU 71 N 0.48 0.00 0.08 0.07 5.08 -1.82 0.91 114.58 119.38 2b8a h GLU 71 Ca 0.24 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.42 2b8a h GLU 71 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2b8a h GLU 71 CO -0.19 0.34 -0.92 0.87 -1.00 0.00 0.00 179.01 178.11 2b8a h LYS 72 N 0.00 0.16 0.00 2.33 1.57 -1.61 -3.39 116.57 115.63 2b8a h LYS 72 Ca -0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2b8a h LYS 72 Cb 0.79 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2b8a h LYS 72 CO 0.04 1.13 -1.11 1.19 -0.57 0.00 0.00 179.45 180.13 2b8a n PHE 73 N -4.21 0.00 -2.22 -1.35 3.72 0.12 -4.74 117.46 108.78 2b8a n PHE 73 Ca -0.20 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.77 2b8a n PHE 73 Cb 0.75 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 2b8a n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b8a n GLY 74 N 1.47 3.74 3.30 1.37 0.00 0.32 -4.89 105.19 110.50 2b8a n GLY 74 Ca 0.03 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 2b8a n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b8a s LYS 75 N 3.02 0.88 0.17 1.61 1.02 -1.26 -4.83 119.74 120.35 2b8a s LYS 75 Ca 0.48 -0.39 -0.32 0.00 0.02 0.00 0.00 55.97 55.76 2b8a s LYS 75 Cb 0.08 0.39 -0.16 0.00 -0.52 0.00 0.00 37.83 37.62 2b8a s LYS 75 CO -0.01 -0.29 0.94 -2.30 -0.92 0.00 0.00 175.35 172.77 2b8a n PRO 76 N 0.56 0.68 -3.85 -1.68 -0.02 -1.26 -4.87 135.00 124.56 2b8a n PRO 76 Ca -0.19 0.24 -0.25 0.00 -2.02 0.00 0.00 63.50 61.29 2b8a n PRO 76 Cb 0.59 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.47 2b8a n PRO 76 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2b8a s ASN 77 N -0.37 4.70 -0.07 2.55 3.84 -1.26 -5.05 114.94 119.27 2b8a s ASN 77 Ca 0.71 -1.10 0.20 0.00 0.21 0.00 0.00 52.86 52.89 2b8a s ASN 77 Cb -0.92 0.02 -0.31 0.00 -0.55 0.00 0.00 41.25 39.50 2b8a s ASN 77 CO 0.55 -0.90 0.36 1.17 -2.79 0.00 0.00 177.10 175.50 2b8a n LYS 78 N -1.62 0.68 0.09 0.43 3.00 -1.26 -4.18 118.16 115.30 2b8a n LYS 78 Ca -0.00 -0.15 0.10 0.00 -0.00 0.00 0.00 58.31 58.26 2b8a n LYS 78 Cb 0.64 -1.50 0.43 0.00 0.00 0.00 0.00 35.03 34.59 2b8a n LYS 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2b8a n ARG 79 N -2.36 0.13 -1.36 1.64 3.00 -1.26 -4.98 116.66 111.47 2b8a n ARG 79 Ca -0.11 0.42 0.00 0.00 -0.01 0.00 0.00 57.85 58.15 2b8a n ARG 79 Cb 0.70 -1.77 0.00 0.00 0.00 0.00 0.00 32.46 31.39 2b8a n ARG 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2b8a n LYS 80 N -2.01 -3.77 0.00 5.56 4.76 -1.26 -4.79 118.16 116.65 2b8a n LYS 80 Ca 0.02 2.85 0.00 0.00 -2.87 0.00 0.00 58.31 58.31 2b8a n LYS 80 Cb 0.17 -3.35 0.00 0.00 -1.84 0.00 0.00 35.03 30.01 2b8a n LYS 80 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b8a n GLY 81 N -1.53 2.90 0.07 0.72 0.00 -1.26 -4.89 105.19 101.21 2b8a n GLY 81 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2b8a n GLY 81 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2b8a h PHE 82 N 0.00 -0.07 -0.53 1.61 3.04 -1.92 -2.85 116.94 116.22 2b8a h PHE 82 Ca 0.00 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 2b8a h PHE 82 Cb 0.00 0.03 -0.08 0.00 2.56 0.00 0.00 35.95 38.46 2b8a h PHE 82 CO 0.00 -0.04 0.09 0.77 -2.02 0.00 0.00 178.31 177.10 2b8a h SER 83 N -0.06 -0.04 -1.16 0.41 0.02 -1.90 0.12 113.55 110.95 2b8a h SER 83 Ca 0.01 0.10 0.33 0.00 -0.84 0.00 0.00 61.79 61.39 2b8a h SER 83 Cb 0.06 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 2b8a h SER 83 CO -0.01 0.00 0.82 -0.33 -1.14 0.00 0.00 176.83 176.17 2b8a h GLU 84 N 0.22 0.05 -0.01 3.45 4.39 -1.87 0.94 114.58 121.75 2b8a h GLU 84 Ca 0.27 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.81 2b8a h GLU 84 Cb 0.39 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2b8a h GLU 84 CO -0.37 0.03 -0.74 0.78 -1.16 0.00 0.00 179.01 177.55 2b8a h GLY 85 N 0.05 0.10 1.00 -3.84 0.00 -0.72 -3.03 103.07 96.63 2b8a h GLY 85 Ca 0.56 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 2b8a h GLY 85 CO -0.05 0.14 0.36 1.41 0.00 0.00 0.00 176.54 178.40 2b8a h LEU 86 N 0.06 0.70 -0.35 3.11 3.38 0.11 -1.02 115.31 121.29 2b8a h LEU 86 Ca -0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2b8a h LEU 86 Cb 1.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2b8a h LEU 86 CO 0.10 0.54 0.09 -0.25 0.09 0.00 0.00 178.44 179.01 2b8a h TRP 87 N 0.79 0.58 0.09 1.13 7.01 -1.50 -3.10 115.95 120.95 2b8a h TRP 87 Ca 0.21 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 2b8a h TRP 87 Cb -0.04 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.86 2b8a h TRP 87 CO -0.02 0.58 -0.04 0.93 -2.79 0.00 0.00 178.44 177.09 2b8a h GLU 88 N 0.41 -0.12 -0.57 2.65 3.07 -1.37 0.75 114.58 119.39 2b8a h GLU 88 Ca 0.11 0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.14 2b8a h GLU 88 Cb 0.29 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 2b8a h GLU 88 CO -0.00 0.04 0.54 0.97 -1.40 0.00 0.00 179.01 179.15 2b8a h ILE 89 N -0.25 0.41 0.00 3.13 2.10 -1.21 1.15 117.51 122.84 2b8a h ILE 89 Ca -0.01 0.00 -0.42 0.00 1.08 0.00 0.00 64.86 65.50 2b8a h ILE 89 Cb 0.21 0.59 -0.07 0.00 -1.09 0.00 0.00 36.82 36.46 2b8a h ILE 89 CO 0.02 0.00 -2.49 -0.62 -1.08 0.00 0.00 178.15 173.98 2b8a n GLU 90 N -3.85 0.62 0.08 2.19 1.02 -1.00 -4.14 120.64 115.56 2b8a n GLU 90 Ca 0.11 0.21 -0.11 0.00 -0.02 0.00 0.00 57.16 57.35 2b8a n GLU 90 Cb 0.76 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.54 2b8a n GLU 90 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2b8a h ASN 91 N -0.48 0.20 -1.26 1.62 -0.26 0.86 -3.43 115.58 112.83 2b8a h ASN 91 Ca -0.63 -0.21 -0.15 0.00 -0.56 0.00 0.00 56.30 54.74 2b8a h ASN 91 Cb 1.76 -0.06 -0.22 0.00 -1.06 0.00 0.00 38.32 38.74 2b8a h ASN 91 CO -0.25 1.17 -0.52 0.20 -1.06 0.00 0.00 177.43 176.97 2b8a s ASN 92 N -6.90 -0.81 0.06 5.81 -0.87 0.39 -5.00 114.94 107.62 2b8a s ASN 92 Ca -0.01 -1.07 0.27 0.00 -1.57 0.00 0.00 52.86 50.48 2b8a s ASN 92 Cb 0.09 1.58 1.08 0.00 -0.02 0.00 0.00 41.25 43.97 2b8a s ASN 92 CO 0.85 -0.19 1.85 -0.81 -2.57 0.00 0.00 177.10 176.24 2b8a n PRO 93 N 4.27 0.08 -0.45 -0.60 -0.04 -1.04 -3.23 135.00 133.98 2b8a n PRO 93 Ca 0.12 0.09 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 2b8a n PRO 93 Cb 0.54 -1.59 0.29 0.00 -0.04 0.00 0.00 33.50 32.70 2b8a n PRO 93 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2b8a n THR 94 N -1.73 1.53 -1.88 0.52 -2.24 -1.26 -4.97 114.28 104.24 2b8a n THR 94 Ca 0.06 -1.19 -0.38 0.00 -2.27 0.00 0.00 64.05 60.27 2b8a n THR 94 Cb 0.35 0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.86 2b8a n THR 94 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2b8a s VAL 95 N -1.59 2.30 0.32 2.28 0.11 -1.20 -5.03 120.40 117.58 2b8a s VAL 95 Ca 0.43 0.22 0.08 0.00 -2.93 0.00 0.00 61.98 59.79 2b8a s VAL 95 Cb 0.27 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 2b8a s VAL 95 CO 0.23 -0.01 0.11 -0.54 -3.33 0.00 0.00 175.10 171.56 2b8a s LYS 96 N -2.93 2.39 0.74 1.54 1.02 -1.26 -5.11 119.74 116.13 2b8a s LYS 96 Ca 0.71 -1.48 -0.11 0.00 0.02 0.00 0.00 55.97 55.12 2b8a s LYS 96 Cb -0.37 -2.20 0.17 0.00 -0.52 0.00 0.00 37.83 34.90 2b8a s LYS 96 CO 0.44 0.19 1.01 0.00 -0.92 0.00 0.00 175.35 176.07 2b8a n ALA 97 N -1.09 -0.95 -1.97 5.17 0.00 -1.26 -5.07 120.51 115.33 2b8a n ALA 97 Ca -0.04 -1.42 -0.25 0.00 0.00 0.00 0.00 53.44 51.73 2b8a n ALA 97 Cb 0.60 -0.01 0.11 0.00 0.00 0.00 0.00 19.45 20.16 2b8a n ALA 97 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2b8a s SER 98 N -4.75 4.21 0.00 0.00 0.01 -1.26 -4.91 113.70 106.99 2b8a s SER 98 Ca 0.59 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2b8a s SER 98 Cb -0.02 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2b8a s SER 98 CO 0.41 -1.96 0.00 0.61 0.41 0.00 0.00 173.24 172.70 2b8a n GLY 99 N -2.99 0.67 2.82 3.44 0.00 -1.26 -5.12 105.19 102.75 2b8a n GLY 99 Ca 0.14 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 2b8a n GLY 99 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b8a s TYR 100 N -0.94 -0.48 0.12 1.61 6.14 -1.26 -5.00 117.35 117.53 2b8a s TYR 100 Ca 0.00 -0.65 0.00 0.00 0.64 0.00 0.00 57.07 57.06 2b8a s TYR 100 Cb 0.00 -0.32 0.00 0.00 0.42 0.00 0.00 41.96 42.06 2b8a s TYR 100 CO 0.00 -0.99 0.00 1.04 0.64 0.00 0.00 175.55 176.24 2b8a n GLN 101 N 4.32 0.00 0.00 4.97 3.00 -1.26 -5.03 117.38 123.38 2b8a n GLN 101 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2b8a n GLN 101 Cb 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 30.24 30.40 2b8a n GLN 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2b8a n SER 102 N -3.26 0.00 -4.29 1.08 7.64 -1.26 -4.52 113.62 109.01 2b8a n SER 102 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2b8a n SER 102 Cb 0.11 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.17 2b8a n SER 102 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2b8a s SER 103 N -3.31 4.54 0.28 6.43 1.04 -1.26 -5.10 113.70 116.33 2b8a s SER 103 Ca 0.00 -0.62 -0.28 0.00 0.48 0.00 0.00 55.95 55.52 2b8a s SER 103 Cb 0.00 -1.76 -0.09 0.00 0.10 0.00 0.00 66.02 64.27 2b8a s SER 103 CO 0.00 -0.10 0.98 -1.58 0.98 0.00 0.00 173.24 173.52 2b8a s GLN 104 N 1.44 4.70 0.07 4.02 2.00 -1.26 -5.06 119.66 125.57 2b8a s GLN 104 Ca 0.03 1.50 -0.13 0.00 -2.00 0.00 0.00 55.36 54.77 2b8a s GLN 104 Cb -0.16 -3.09 0.02 0.00 0.80 0.00 0.00 33.01 30.58 2b8a s GLN 104 CO -0.02 0.36 0.29 0.21 -0.50 0.00 0.00 175.29 175.63 2b8a s LYS 105 N -1.55 0.86 -0.14 1.67 2.20 -1.26 -5.06 119.74 116.46 2b8a s LYS 105 Ca 0.45 -0.66 0.17 0.00 -0.36 0.00 0.00 55.97 55.57 2b8a s LYS 105 Cb -0.25 0.37 0.43 0.00 -1.51 0.00 0.00 37.83 36.87 2b8a s LYS 105 CO 0.31 -0.29 1.19 1.63 -0.36 0.00 0.00 175.35 177.83 2b8a n LYS 106 N 0.28 1.20 -3.32 4.03 5.02 -1.26 -5.01 118.16 119.11 2b8a n LYS 106 Ca -0.17 -2.92 -0.45 0.00 -2.02 0.00 0.00 58.31 52.75 2b8a n LYS 106 Cb 0.61 -1.08 -0.07 0.00 -0.02 0.00 0.00 35.03 34.47 2b8a n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2b8a s SER 107 N -2.86 6.17 0.32 4.39 0.15 -1.26 -5.02 113.70 115.59 2b8a s SER 107 Ca 0.37 -1.33 0.02 0.00 0.70 0.00 0.00 55.95 55.71 2b8a s SER 107 Cb 0.38 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 62.47 2b8a s SER 107 CO -0.09 -0.75 0.37 0.00 1.20 0.00 0.00 173.24 173.96 2b8a n ALA 109 N -0.88 1.33 -0.14 0.00 0.00 -1.26 -5.33 120.51 114.22 2b8a n ALA 109 Ca -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2b8a n ALA 109 Cb 0.55 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2b8a n ALA 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59