#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 -1.31 -2.72 6.12 7.64 -1.26 -4.78 113.62 117.31 2b8a n SER 2 Ca 0.00 1.23 -0.02 0.00 1.01 0.00 0.00 58.87 61.08 2b8a n SER 2 Cb 0.00 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 58.47 2b8a n SER 2 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2b8a n ARG 3 N 1.51 -3.09 -3.87 1.43 3.00 -1.26 -5.03 116.66 109.35 2b8a n ARG 3 Ca -0.34 2.54 -0.29 0.00 -0.00 0.00 0.00 57.85 59.76 2b8a n ARG 3 Cb 0.53 -5.38 -0.16 0.00 0.00 0.00 0.00 32.46 27.44 2b8a n ARG 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2b8a s SER 4 N -1.90 3.31 -0.07 6.15 1.04 -1.26 -4.96 113.70 116.00 2b8a s SER 4 Ca 0.08 -0.94 0.09 0.00 0.48 0.00 0.00 55.95 55.66 2b8a s SER 4 Cb -0.02 -0.94 -0.13 0.00 0.10 0.00 0.00 66.02 65.03 2b8a s SER 4 CO 0.76 -0.24 0.09 -0.46 0.98 0.00 0.00 173.24 174.37 2b8a n ASN 5 N 4.83 2.68 -2.60 7.02 0.23 -1.26 -5.05 115.26 121.12 2b8a n ASN 5 Ca -0.11 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.93 2b8a n ASN 5 Cb 0.46 0.95 -0.01 0.00 -2.08 0.00 0.00 39.78 39.10 2b8a n ASN 5 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2b8a n ARG 6 N -2.20 -3.34 -2.05 -3.83 1.74 -1.26 -4.99 116.66 100.73 2b8a n ARG 6 Ca -0.11 2.68 -0.31 0.00 -0.77 0.00 0.00 57.85 59.34 2b8a n ARG 6 Cb 0.65 -5.00 -0.00 0.00 -1.02 0.00 0.00 32.46 27.09 2b8a n ARG 6 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2b8a s GLN 7 N -1.40 3.68 -0.30 5.56 -0.21 -1.26 -5.07 119.66 120.66 2b8a s GLN 7 Ca -0.03 0.85 -0.17 0.00 0.02 0.00 0.00 55.36 56.03 2b8a s GLN 7 Cb 0.00 -2.09 0.18 0.00 1.00 0.00 0.00 33.01 32.10 2b8a s GLN 7 CO 0.72 -0.50 1.14 0.21 -2.12 0.00 0.00 175.29 174.74 2b8a s LYS 8 N -4.73 0.17 0.01 2.91 2.20 -1.26 -5.16 119.74 113.88 2b8a s LYS 8 Ca 0.57 0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 56.45 2b8a s LYS 8 Cb -0.11 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.31 2b8a s LYS 8 CO 0.45 -0.05 0.33 -1.21 -0.36 0.00 0.00 175.35 174.51 2b8a s GLU 9 N 1.81 3.70 0.19 4.03 2.02 -1.26 -4.95 118.70 124.24 2b8a s GLU 9 Ca -0.04 0.11 0.07 0.00 0.02 0.00 0.00 54.97 55.14 2b8a s GLU 9 Cb -0.03 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2b8a s GLU 9 CO -0.15 0.65 0.04 0.71 0.02 0.00 0.00 175.26 176.53 2b8a s TYR 10 N -1.24 2.92 0.11 1.61 2.02 -1.26 -5.14 117.35 116.36 2b8a s TYR 10 Ca 0.27 -0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.90 2b8a s TYR 10 Cb -0.14 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 2b8a s TYR 10 CO 0.15 0.53 -0.12 0.15 -1.57 0.00 0.00 175.55 174.69 2b8a s LYS 11 N -3.13 0.92 0.13 -0.62 -0.14 -1.26 -4.97 119.74 110.66 2b8a s LYS 11 Ca 0.29 -1.19 -0.35 0.00 -1.36 0.00 0.00 55.97 53.36 2b8a s LYS 11 Cb -0.09 -0.68 -0.15 0.00 -1.68 0.00 0.00 37.83 35.23 2b8a s LYS 11 CO 0.20 0.12 1.48 0.00 -0.76 0.00 0.00 175.35 176.39 2b8a n GLY 13 N 3.05 1.36 3.76 0.00 0.00 0.89 -4.96 105.19 109.29 2b8a n GLY 13 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.77 6.98 -0.30 1.61 -1.08 -0.51 -4.73 116.67 116.87 2b8a s ASP 14 Ca 0.00 2.45 -0.19 0.00 -0.52 0.00 0.00 52.55 54.29 2b8a s ASP 14 Cb 0.00 -2.63 -0.01 0.00 -1.46 0.00 0.00 42.92 38.82 2b8a s ASP 14 CO 0.00 -0.40 0.57 -0.76 0.52 0.00 0.00 175.17 175.10 2b8a s LEU 15 N -1.13 4.16 0.23 -1.34 1.43 -1.26 -0.91 118.68 119.86 2b8a s LEU 15 Ca 0.50 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 2b8a s LEU 15 Cb -0.36 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 2b8a s LEU 15 CO 0.44 -0.43 0.16 0.68 0.23 0.00 0.00 176.35 177.43 2b8a s VAL 16 N 2.49 0.00 -0.09 -1.59 -7.23 -0.32 -1.88 120.40 111.79 2b8a s VAL 16 Ca 0.23 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2b8a s VAL 16 Cb -0.15 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 2b8a s VAL 16 CO 0.12 0.00 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.43 2b8a s PHE 17 N -4.00 2.80 -0.20 2.82 0.08 0.55 -0.99 117.98 119.05 2b8a s PHE 17 Ca 0.39 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 57.10 2b8a s PHE 17 Cb 0.06 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 2b8a s PHE 17 CO 0.16 0.05 -0.04 0.00 -0.10 0.00 0.00 175.22 175.29 2b8a s ALA 18 N -0.28 2.88 -0.07 5.36 0.00 -1.06 -1.48 121.76 127.10 2b8a s ALA 18 Ca 0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 2b8a s ALA 18 Cb -0.13 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 2b8a s ALA 18 CO 0.03 -0.22 0.45 0.21 0.00 0.00 0.00 175.76 176.23 2b8a s LYS 19 N 1.12 4.20 0.10 0.00 2.47 -0.40 -2.09 119.74 125.14 2b8a s LYS 19 Ca 0.02 0.44 0.06 0.00 -1.56 0.00 0.00 55.97 54.93 2b8a s LYS 19 Cb -0.15 -3.35 -0.03 0.00 -1.46 0.00 0.00 37.83 32.84 2b8a s LYS 19 CO -0.00 0.36 -0.16 -1.64 0.16 0.00 0.00 175.35 174.07 2b8a s MET 20 N -0.05 1.00 -0.59 4.03 -1.94 -1.24 -4.91 119.30 115.61 2b8a s MET 20 Ca 0.25 -1.13 -0.27 0.00 -1.71 0.00 0.00 55.69 52.82 2b8a s MET 20 Cb -0.16 -1.04 -0.00 0.00 2.01 0.00 0.00 34.83 35.64 2b8a s MET 20 CO 0.11 0.22 1.65 0.21 -0.01 0.00 0.00 175.02 177.21 2b8a s LYS 21 N -2.16 2.95 0.00 2.03 2.20 -1.26 -2.33 119.74 121.16 2b8a s LYS 21 Ca 0.05 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2b8a s LYS 21 Cb -0.08 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 2b8a s LYS 21 CO 0.03 -2.37 0.00 0.41 -0.36 0.00 0.00 175.35 173.07 2b8a n GLY 22 N 5.52 0.89 3.17 5.54 0.00 -1.26 -5.10 105.19 113.94 2b8a n GLY 22 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.06 0.75 1.61 2.02 -0.99 -5.12 117.35 113.56 2b8a s TYR 23 Ca 0.00 0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.65 2b8a s TYR 23 Cb 0.00 0.02 0.04 0.00 -0.40 0.00 0.00 41.96 41.62 2b8a s TYR 23 CO 0.00 -0.33 1.08 -1.25 -1.57 0.00 0.00 175.55 173.48 2b8a s PRO 24 N -1.32 2.50 -0.32 -1.71 0.04 -1.26 -3.63 135.00 129.29 2b8a s PRO 24 Ca -0.14 0.73 -0.40 0.00 0.04 0.00 0.00 61.00 61.24 2b8a s PRO 24 Cb -0.06 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 2b8a s PRO 24 CO 0.03 -1.35 1.88 0.72 0.04 0.00 0.00 177.00 178.32 2b8a n HIS 25 N -3.27 1.87 -3.69 0.56 8.25 -1.26 -4.69 115.22 112.99 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 0.55 -2.46 -0.07 0.00 1.12 0.00 0.00 29.99 29.13 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 4.65 3.47 -0.04 4.41 -0.11 -0.89 -4.85 118.94 125.58 2b8a s TRP 26 Ca 1.03 0.47 -0.33 0.00 1.22 0.00 0.00 56.10 58.49 2b8a s TRP 26 Cb -1.07 -2.18 -0.11 0.00 -1.50 0.00 0.00 33.47 28.60 2b8a s TRP 26 CO 0.63 0.36 1.88 -0.35 -4.62 0.00 0.00 176.95 174.85 2b8a n PRO 27 N 3.21 2.35 -4.15 5.86 -0.04 -1.26 -2.56 135.00 138.42 2b8a n PRO 27 Ca -0.15 0.86 -0.15 0.00 -0.04 0.00 0.00 63.50 64.02 2b8a n PRO 27 Cb 0.52 -2.73 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.89 1.00 0.04 0.55 0.00 -0.16 -2.39 121.76 124.70 2b8a s ALA 28 Ca 0.91 -1.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 2b8a s ALA 28 Cb -0.63 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 2b8a s ALA 28 CO 0.48 -0.73 0.04 0.50 0.00 0.00 0.00 175.76 176.05 2b8a s ARG 29 N -3.43 0.56 0.20 0.00 3.52 -0.95 -1.17 118.95 117.68 2b8a s ARG 29 Ca 0.34 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 2b8a s ARG 29 Cb 0.01 0.21 -0.08 0.00 -1.56 0.00 0.00 34.95 33.53 2b8a s ARG 29 CO 0.20 -0.13 0.93 0.42 -0.81 0.00 0.00 175.30 175.91 2b8a s ILE 30 N -2.84 4.20 0.00 4.11 -1.09 -0.09 -1.81 121.20 123.67 2b8a s ILE 30 Ca -0.03 2.05 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 2b8a s ILE 30 Cb 0.00 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2b8a s ILE 30 CO -0.06 0.46 0.00 -0.67 -1.23 0.00 0.00 174.94 173.44 2b8a n ASP 31 N 1.80 3.49 -3.55 3.58 -0.08 -0.94 -0.08 116.55 120.78 2b8a n ASP 31 Ca -0.01 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.15 2b8a n ASP 31 Cb 0.48 0.64 -0.05 0.00 2.34 0.00 0.00 41.12 44.53 2b8a n ASP 31 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2b8a s GLU 32 N -1.44 0.75 0.51 -0.67 2.12 -1.24 -4.86 118.70 113.86 2b8a s GLU 32 Ca 0.00 0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.39 2b8a s GLU 32 Cb 0.00 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.75 2b8a s GLU 32 CO 0.00 -0.26 0.76 -1.64 -0.54 0.00 0.00 175.26 173.58 2b8a s MET 33 N -1.57 2.94 0.35 4.30 -1.94 -1.26 -2.38 119.30 119.74 2b8a s MET 33 Ca -0.02 -0.38 -0.28 0.00 -1.71 0.00 0.00 55.69 53.29 2b8a s MET 33 Cb -0.00 -2.46 -0.12 0.00 2.01 0.00 0.00 34.83 34.26 2b8a s MET 33 CO 0.01 -0.47 1.41 -2.30 -0.01 0.00 0.00 175.02 173.66 2b8a n PRO 34 N -2.27 2.43 0.00 2.03 -0.02 -1.22 -4.79 135.00 131.16 2b8a n PRO 34 Ca 0.03 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2b8a n PRO 34 Cb 0.58 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2b8a n PRO 34 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2b8a n GLU 35 N 0.64 0.00 0.01 -0.52 4.71 -1.26 -4.99 120.64 119.22 2b8a n GLU 35 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 2b8a n GLU 35 Cb 0.37 -0.44 0.00 0.00 -1.01 0.00 0.00 31.44 30.36 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2b8a n ALA 36 N -2.12 0.00 -3.00 0.62 0.00 -1.25 -5.07 120.51 109.68 2b8a n ALA 36 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2b8a n ALA 36 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2b8a n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b8a s ALA 37 N -2.00 -3.55 0.00 0.00 0.00 -1.25 -4.72 121.76 110.25 2b8a s ALA 37 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2b8a s ALA 37 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2b8a s ALA 37 CO 0.00 -2.28 0.35 1.33 0.00 0.00 0.00 175.76 175.16 2b8a n VAL 38 N 4.33 0.00 0.00 0.00 0.24 -1.26 -4.93 118.33 116.71 2b8a n VAL 38 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 2b8a n VAL 38 Cb 0.60 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 2b8a n VAL 38 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2b8a n LYS 39 N 0.00 0.00 0.02 7.34 4.76 -1.26 -4.21 118.16 124.81 2b8a n LYS 39 Ca 0.00 0.00 0.22 0.00 -2.87 0.00 0.00 58.31 55.66 2b8a n LYS 39 Cb 0.52 0.00 0.73 0.00 -1.84 0.00 0.00 35.03 34.44 2b8a n LYS 39 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2b8a h SER 40 N 0.00 0.00 0.00 4.39 0.02 -2.04 -3.03 113.55 112.90 2b8a h SER 40 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b8a h SER 40 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2b8a h SER 40 CO 0.00 0.00 -0.91 0.41 -1.14 0.00 0.00 176.83 175.19 2b8a n THR 41 N -3.94 0.00 0.00 -2.27 -1.04 -1.26 -4.93 114.28 100.85 2b8a n THR 41 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2b8a n THR 41 Cb 0.69 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 2b8a n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b8a n ALA 42 N -2.03 0.00 -2.80 2.41 0.00 -1.15 -0.44 120.51 116.51 2b8a n ALA 42 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2b8a n ALA 42 Cb 0.45 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.97 2b8a n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2b8a n ASN 43 N 0.72 -0.98 -4.18 0.00 0.23 -1.26 -3.79 115.26 106.00 2b8a n ASN 43 Ca 0.00 -3.04 -0.11 0.00 -0.53 0.00 0.00 54.58 50.90 2b8a n ASN 43 Cb 0.00 0.77 -0.10 0.00 -2.08 0.00 0.00 39.78 38.37 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2b8a s LYS 44 N -0.83 1.05 0.29 -3.83 1.02 0.42 -4.88 119.74 112.98 2b8a s LYS 44 Ca 0.26 -1.53 -0.00 0.00 0.02 0.00 0.00 55.97 54.72 2b8a s LYS 44 Cb 0.36 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.82 2b8a s LYS 44 CO -0.05 -0.30 0.49 0.71 -0.92 0.00 0.00 175.35 175.28 2b8a s TYR 45 N -4.04 3.49 -0.44 3.18 1.51 -0.18 -3.38 117.35 117.48 2b8a s TYR 45 Ca 0.30 0.36 -0.16 0.00 -1.01 0.00 0.00 57.07 56.56 2b8a s TYR 45 Cb 0.07 -1.89 0.04 0.00 -0.11 0.00 0.00 41.96 40.08 2b8a s TYR 45 CO 0.06 0.23 0.39 -1.14 -1.11 0.00 0.00 175.55 173.98 2b8a s GLN 46 N -3.89 3.02 -0.07 -0.62 0.74 -1.00 -2.24 119.66 115.59 2b8a s GLN 46 Ca 0.40 -1.04 -0.03 0.00 0.05 0.00 0.00 55.36 54.73 2b8a s GLN 46 Cb -0.10 -4.03 -0.04 0.00 1.10 0.00 0.00 33.01 29.94 2b8a s GLN 46 CO 0.32 -0.90 0.06 0.08 -0.55 0.00 0.00 175.29 174.31 2b8a s VAL 47 N 1.86 4.76 -0.23 1.34 1.01 -0.62 -2.22 120.40 126.31 2b8a s VAL 47 Ca 0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 2b8a s VAL 47 Cb -0.20 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2b8a s VAL 47 CO 0.10 0.54 0.05 0.12 0.00 0.00 0.00 175.10 175.91 2b8a s PHE 48 N -1.01 3.09 -0.44 5.22 5.36 -0.75 -2.52 117.98 126.93 2b8a s PHE 48 Ca 0.16 -0.39 -0.19 0.00 -0.96 0.00 0.00 56.93 55.56 2b8a s PHE 48 Cb -0.12 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.41 2b8a s PHE 48 CO 0.06 -0.28 0.55 -0.06 -1.46 0.00 0.00 175.22 174.03 2b8a s PHE 49 N 1.33 3.11 1.29 10.12 0.08 0.98 -2.23 117.98 132.66 2b8a s PHE 49 Ca 0.05 -0.26 -0.21 0.00 0.12 0.00 0.00 56.93 56.62 2b8a s PHE 49 Cb -0.15 -3.17 0.33 0.00 -0.57 0.00 0.00 43.02 39.46 2b8a s PHE 49 CO 0.03 -0.82 0.74 1.19 -0.10 0.00 0.00 175.22 176.26 2b8a n PHE 50 N 5.95 -3.50 0.00 0.36 3.72 -1.00 0.80 117.46 123.79 2b8a n PHE 50 Ca -0.05 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 2b8a n PHE 50 Cb 0.47 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 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 -4.80 0.67 0.09 1.37 0.00 -1.25 -3.22 105.19 98.04 2b8a n GLY 51 Ca 0.12 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 0.77 -2.87 2.61 -2.24 -1.24 -4.78 114.28 106.54 2b8a n THR 52 Ca 0.00 -0.61 -0.17 0.00 -2.27 0.00 0.00 64.05 61.00 2b8a n THR 52 Cb 0.00 -0.44 0.03 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.70 -1.54 -3.21 4.78 -0.00 0.24 -5.00 115.22 107.78 2b8a n HIS 53 Ca -0.06 0.42 -0.30 0.00 -0.00 0.00 0.00 57.72 57.78 2b8a n HIS 53 Cb 0.68 -3.71 -0.04 0.00 -0.00 0.00 0.00 29.99 26.92 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 -5.45 3.74 0.00 -0.41 2.02 -0.77 -4.81 118.70 113.03 2b8a s GLU 54 Ca 0.24 0.25 0.08 0.00 0.02 0.00 0.00 54.97 55.56 2b8a s GLU 54 Cb -0.11 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 2b8a s GLU 54 CO 0.30 0.17 -0.25 0.95 0.02 0.00 0.00 175.26 176.45 2b8a s THR 55 N -2.08 1.97 0.27 3.63 -4.23 -1.26 -0.01 115.64 113.92 2b8a s THR 55 Ca 0.48 -1.15 -0.16 0.00 -1.18 0.00 0.00 61.69 59.67 2b8a s THR 55 Cb -0.11 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.09 2b8a s THR 55 CO 0.27 0.47 0.59 0.00 -0.54 0.00 0.00 174.62 175.41 2b8a s ALA 56 N -0.66 -0.64 -0.15 3.99 0.00 -1.05 -5.03 121.76 118.23 2b8a s ALA 56 Ca 0.10 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 2b8a s ALA 56 Cb -0.10 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 2b8a s ALA 56 CO 0.00 -0.94 -0.14 -0.06 0.00 0.00 0.00 175.76 174.63 2b8a s PHE 57 N -3.85 2.80 0.08 0.00 0.40 -1.26 -1.58 117.98 114.57 2b8a s PHE 57 Ca 0.18 -0.87 -0.01 0.00 -0.60 0.00 0.00 56.93 55.63 2b8a s PHE 57 Cb -0.03 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 2b8a s PHE 57 CO 0.09 -0.37 -0.00 -0.51 0.70 0.00 0.00 175.22 175.13 2b8a s LEU 58 N 0.67 2.23 0.66 -0.37 1.43 -0.95 -4.90 118.68 117.44 2b8a s LEU 58 Ca -0.07 -1.08 0.02 0.00 -1.03 0.00 0.00 54.13 51.97 2b8a s LEU 58 Cb -0.16 0.21 0.10 0.00 0.03 0.00 0.00 46.19 46.38 2b8a s LEU 58 CO 0.02 -0.64 0.91 -0.83 0.23 0.00 0.00 176.35 176.04 2b8a s GLY 59 N -2.98 1.77 0.51 -3.19 0.00 -1.26 -1.01 107.32 101.16 2b8a s GLY 59 Ca 0.14 -1.76 0.26 0.00 0.00 0.00 0.00 44.72 43.35 2b8a s GLY 59 CO -0.05 -1.27 2.05 -0.56 0.00 0.00 0.00 173.10 173.27 2b8a h PRO 60 N -0.27 0.00 0.00 2.90 0.13 -1.92 -2.09 132.00 130.75 2b8a h PRO 60 Ca -0.36 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 2b8a h PRO 60 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2b8a h PRO 60 CO 0.42 0.13 -0.31 0.87 -0.23 0.00 0.00 178.00 178.89 2b8a h LYS 61 N 0.00 0.00 -0.60 0.86 1.57 -1.96 -2.54 116.57 113.90 2b8a h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b8a h LYS 61 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2b8a h LYS 61 CO 0.02 0.31 0.00 -0.25 -0.57 0.00 0.00 179.45 178.96 2b8a n ASP 62 N -3.64 3.63 -4.38 0.86 9.92 -0.80 -4.90 116.55 117.23 2b8a n ASP 62 Ca -0.01 -1.99 -0.32 0.00 -0.53 0.00 0.00 54.79 51.94 2b8a n ASP 62 Cb 0.43 -0.39 -0.15 0.00 -0.64 0.00 0.00 41.12 40.37 2b8a n ASP 62 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2b8a s LEU 63 N -1.17 2.39 0.07 0.64 1.43 -0.96 -1.28 118.68 119.81 2b8a s LEU 63 Ca 0.44 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2b8a s LEU 63 Cb 0.24 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2b8a s LEU 63 CO 0.32 0.32 -0.05 -0.36 0.23 0.00 0.00 176.35 176.80 2b8a s PHE 64 N -0.58 0.70 -0.22 0.29 0.40 -0.55 -4.92 117.98 113.10 2b8a s PHE 64 Ca 0.08 -0.88 -0.29 0.00 -0.60 0.00 0.00 56.93 55.25 2b8a s PHE 64 Cb -0.11 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.95 2b8a s PHE 64 CO 0.00 -0.21 1.74 -2.14 0.70 0.00 0.00 175.22 175.31 2b8a s PRO 65 N -3.38 3.67 0.14 0.24 0.02 -1.26 -0.33 135.00 134.10 2b8a s PRO 65 Ca 0.05 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.51 2b8a s PRO 65 Cb 0.03 -4.11 -0.04 0.00 0.02 0.00 0.00 34.50 30.40 2b8a s PRO 65 CO -0.05 -1.46 1.58 -0.92 -0.33 0.00 0.00 177.00 175.82 2b8a h TYR 66 N 11.55 -1.24 -1.00 6.54 3.20 -1.65 -0.48 116.97 133.89 2b8a h TYR 66 Ca -0.36 0.06 0.19 0.00 3.14 0.00 0.00 58.73 61.76 2b8a h TYR 66 Cb 1.17 0.57 -0.10 0.00 1.54 0.00 0.00 36.73 39.91 2b8a h TYR 66 CO 0.93 -0.47 0.61 0.93 -1.64 0.00 0.00 178.16 178.52 2b8a h GLU 67 N -0.44 0.75 -0.36 1.82 4.39 -1.91 1.85 114.58 120.67 2b8a h GLU 67 Ca 0.09 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 2b8a h GLU 67 Cb 0.61 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2b8a h GLU 67 CO -0.46 0.50 -0.42 0.93 -1.16 0.00 0.00 179.01 178.40 2b8a h GLU 68 N 0.77 0.92 -0.47 2.33 4.39 -1.66 -3.25 114.58 117.62 2b8a h GLU 68 Ca 0.57 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2b8a h GLU 68 Cb 0.88 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2b8a h GLU 68 CO -0.37 1.15 0.00 0.43 -1.16 0.00 0.00 179.01 179.07 2b8a n SER 69 N -4.05 3.59 -0.07 1.42 7.64 -0.30 -4.61 113.62 117.25 2b8a n SER 69 Ca -0.03 -2.21 -0.07 0.00 1.01 0.00 0.00 58.87 57.57 2b8a n SER 69 Cb 0.56 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 2b8a n SER 69 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2b8a h LYS 70 N 2.84 0.14 0.00 1.43 2.10 0.28 0.57 116.57 123.93 2b8a h LYS 70 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2b8a h LYS 70 Cb 1.00 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2b8a h LYS 70 CO 0.07 0.09 -0.06 0.93 -2.00 0.00 0.00 179.45 178.48 2b8a h GLU 71 N 0.14 0.00 0.01 0.07 5.08 -1.81 0.83 114.58 118.90 2b8a h GLU 71 Ca 0.13 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2b8a h GLU 71 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2b8a h GLU 71 CO -0.18 0.06 -0.76 -0.22 -1.00 0.00 0.00 179.01 176.91 2b8a h LYS 72 N 0.00 0.03 0.00 2.33 3.64 -1.54 -3.40 116.57 117.63 2b8a h LYS 72 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2b8a h LYS 72 Cb 0.66 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2b8a h LYS 72 CO 0.01 1.02 -1.32 1.19 -2.27 0.00 0.00 179.45 178.08 2b8a n PHE 73 N -4.45 0.00 -1.81 1.91 3.72 0.19 -4.74 117.46 112.28 2b8a n PHE 73 Ca -0.22 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.76 2b8a n PHE 73 Cb 0.62 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 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 1.42 3.28 3.24 1.37 0.00 0.29 -4.85 105.19 109.94 2b8a n GLY 74 Ca 0.01 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 4.14 0.62 0.71 1.61 1.02 -1.26 -4.83 119.74 121.76 2b8a s LYS 75 Ca 0.53 -0.05 -0.16 0.00 0.02 0.00 0.00 55.97 56.31 2b8a s LYS 75 Cb 0.11 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.67 2b8a s LYS 75 CO 0.02 -0.16 0.65 -2.30 -0.92 0.00 0.00 175.35 172.64 2b8a n PRO 76 N 1.59 0.37 -2.76 -1.68 -0.02 -1.26 -4.87 135.00 126.37 2b8a n PRO 76 Ca -0.20 0.17 -0.07 0.00 -2.02 0.00 0.00 63.50 61.38 2b8a n PRO 76 Cb 0.56 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 2b8a n PRO 76 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2b8a n ASN 77 N -0.63 -0.11 -0.00 2.55 6.94 -1.26 -5.06 115.26 117.69 2b8a n ASN 77 Ca 0.11 -1.74 0.10 0.00 -0.02 0.00 0.00 54.58 53.04 2b8a n ASN 77 Cb 0.50 0.54 -0.14 0.00 -2.36 0.00 0.00 39.78 38.32 2b8a n ASN 77 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2b8a n LYS 78 N -0.22 0.22 0.13 -3.83 4.76 -1.26 -4.20 118.16 113.76 2b8a n LYS 78 Ca 0.02 -0.07 0.11 0.00 -2.87 0.00 0.00 58.31 55.51 2b8a n LYS 78 Cb 0.20 -1.51 0.50 0.00 -1.84 0.00 0.00 35.03 32.39 2b8a n LYS 78 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2b8a n ARG 79 N -1.75 0.17 -1.46 1.97 5.12 -1.26 -4.97 116.66 114.47 2b8a n ARG 79 Ca 0.01 0.48 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 2b8a n ARG 79 Cb 0.41 -1.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 2b8a n ARG 79 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2b8a n LYS 80 N -2.21 -4.15 0.00 5.56 4.76 -1.26 -4.78 118.16 116.07 2b8a n LYS 80 Ca 0.01 3.11 0.00 0.00 -2.87 0.00 0.00 58.31 58.57 2b8a n LYS 80 Cb 0.17 -3.56 0.00 0.00 -1.84 0.00 0.00 35.03 29.80 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 -1.16 2.57 0.39 0.72 0.00 -1.26 -4.91 105.19 101.54 2b8a n GLY 81 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.97 -0.62 1.61 3.04 -1.92 -2.79 116.94 115.28 2b8a h PHE 82 Ca 0.00 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.06 2b8a h PHE 82 Cb 0.00 0.36 -0.08 0.00 2.56 0.00 0.00 35.95 38.78 2b8a h PHE 82 CO 0.00 -0.54 0.17 0.77 -2.02 0.00 0.00 178.31 176.69 2b8a h SER 83 N -0.85 0.09 -1.08 0.41 0.02 -1.91 0.17 113.55 110.40 2b8a h SER 83 Ca -0.06 0.10 0.30 0.00 -0.84 0.00 0.00 61.79 61.29 2b8a h SER 83 Cb 0.71 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.31 2b8a h SER 83 CO 0.03 0.05 0.74 -0.33 -1.14 0.00 0.00 176.83 176.18 2b8a h GLU 84 N 0.32 0.18 -0.03 3.45 5.08 -1.88 0.78 114.58 122.47 2b8a h GLU 84 Ca 0.33 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.51 2b8a h GLU 84 Cb 0.47 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2b8a h GLU 84 CO -0.38 0.12 -0.73 0.78 -1.00 0.00 0.00 179.01 177.79 2b8a h GLY 85 N 0.18 0.24 1.00 -3.84 0.00 -0.45 -2.88 103.07 97.32 2b8a h GLY 85 Ca 0.56 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2b8a h GLY 85 CO -0.15 0.31 0.39 1.41 0.00 0.00 0.00 176.54 178.51 2b8a h LEU 86 N 0.14 0.73 -0.35 3.11 3.38 0.83 -0.45 115.31 122.71 2b8a h LEU 86 Ca -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2b8a h LEU 86 Cb 1.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2b8a h LEU 86 CO 0.11 0.56 0.11 -0.25 0.09 0.00 0.00 178.44 179.05 2b8a h TRP 87 N 0.84 0.57 0.17 1.13 7.01 -1.42 -2.99 115.95 121.25 2b8a h TRP 87 Ca 0.22 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2b8a h TRP 87 Cb -0.06 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2b8a h TRP 87 CO -0.02 0.55 -0.08 0.93 -2.79 0.00 0.00 178.44 177.03 2b8a h GLU 88 N 0.41 -0.22 -0.49 2.65 3.07 -1.26 0.89 114.58 119.64 2b8a h GLU 88 Ca 0.11 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.13 2b8a h GLU 88 Cb 0.26 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 2b8a h GLU 88 CO -0.00 -0.04 0.50 0.97 -1.40 0.00 0.00 179.01 179.03 2b8a h ILE 89 N -0.35 0.39 0.01 3.13 2.10 -1.09 1.28 117.51 122.96 2b8a h ILE 89 Ca -0.02 0.00 -0.42 0.00 1.08 0.00 0.00 64.86 65.50 2b8a h ILE 89 Cb 0.28 0.61 -0.07 0.00 -1.09 0.00 0.00 36.82 36.55 2b8a h ILE 89 CO 0.04 0.00 -2.44 -0.62 -1.08 0.00 0.00 178.15 174.04 2b8a n GLU 90 N -3.77 0.63 0.07 2.19 -0.58 -0.97 -4.02 120.64 114.18 2b8a n GLU 90 Ca 0.09 0.22 -0.13 0.00 -0.42 0.00 0.00 57.16 56.93 2b8a n GLU 90 Cb 0.70 -1.52 -0.13 0.00 -0.57 0.00 0.00 31.44 29.91 2b8a n GLU 90 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2b8a h ASN 91 N -0.48 0.25 -1.24 1.62 2.35 0.12 -3.43 115.58 114.77 2b8a h ASN 91 Ca -0.62 -0.30 -0.21 0.00 -0.55 0.00 0.00 56.30 54.62 2b8a h ASN 91 Cb 1.76 -0.08 -0.20 0.00 0.05 0.00 0.00 38.32 39.84 2b8a h ASN 91 CO -0.24 1.24 -0.57 0.21 -1.65 0.00 0.00 177.43 176.42 2b8a s ASN 92 N -6.90 -0.93 0.00 5.81 2.47 0.43 -4.99 114.94 110.82 2b8a s ASN 92 Ca -0.03 -1.82 0.21 0.00 0.42 0.00 0.00 52.86 51.63 2b8a s ASN 92 Cb 0.08 1.51 0.92 0.00 -1.45 0.00 0.00 41.25 42.31 2b8a s ASN 92 CO 0.85 -0.09 1.66 -0.81 -3.72 0.00 0.00 177.10 174.99 2b8a n PRO 93 N 3.14 0.07 -0.46 0.43 -0.04 -0.73 -2.73 135.00 134.68 2b8a n PRO 93 Ca 0.19 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 2b8a n PRO 93 Cb 0.54 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.45 1.39 -1.96 0.52 -2.24 -1.26 -4.92 114.28 104.35 2b8a n THR 94 Ca 0.06 -1.11 -0.39 0.00 -2.27 0.00 0.00 64.05 60.35 2b8a n THR 94 Cb 0.22 0.33 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.40 2.45 -0.30 2.28 0.11 -1.10 -5.03 120.40 117.41 2b8a s VAL 95 Ca 0.48 0.36 -0.12 0.00 -2.93 0.00 0.00 61.98 59.77 2b8a s VAL 95 Cb 0.28 -3.20 0.13 0.00 -1.53 0.00 0.00 36.38 32.06 2b8a s VAL 95 CO 0.28 0.02 0.71 -1.59 -3.33 0.00 0.00 175.10 171.19 2b8a s LYS 96 N -2.62 0.56 0.46 1.54 -2.85 -1.26 -5.07 119.74 110.49 2b8a s LYS 96 Ca 0.64 1.29 0.00 0.00 -1.00 0.00 0.00 55.97 56.91 2b8a s LYS 96 Cb -0.38 0.66 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 2b8a s LYS 96 CO 0.46 -0.17 0.00 0.00 0.10 0.00 0.00 175.35 175.74 2b8a n ALA 97 N 5.12 -3.58 -2.40 0.59 0.00 -1.26 -5.00 120.51 113.98 2b8a n ALA 97 Ca -0.13 0.67 -0.01 0.00 0.00 0.00 0.00 53.44 53.97 2b8a n ALA 97 Cb 0.52 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 2b8a n ALA 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2b8a n SER 98 N -4.29 -8.41 -3.10 0.00 7.64 -1.26 -4.70 113.62 99.49 2b8a n SER 98 Ca -0.05 1.82 -0.33 0.00 1.01 0.00 0.00 58.87 61.33 2b8a n SER 98 Cb 0.65 -5.29 -0.05 0.00 -1.01 0.00 0.00 64.21 58.51 2b8a n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b8a n GLY 99 N 1.84 3.89 2.82 0.23 0.00 -1.26 -4.69 105.19 108.01 2b8a n GLY 99 Ca -0.06 -1.36 -0.00 0.00 0.00 0.00 0.00 46.02 44.60 2b8a n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2b8a n TYR 100 N 3.51 -3.23 -2.93 1.61 4.19 -1.26 -4.87 117.16 114.18 2b8a n TYR 100 Ca 0.69 1.43 -0.44 0.00 3.31 0.00 0.00 57.90 62.88 2b8a n TYR 100 Cb 0.31 -3.43 -0.02 0.00 0.49 0.00 0.00 39.34 36.68 2b8a n TYR 100 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 2b8a s GLN 101 N -1.53 3.61 1.26 2.98 -0.21 -1.26 -5.02 119.66 119.48 2b8a s GLN 101 Ca 0.00 -1.78 -0.20 0.00 0.02 0.00 0.00 55.36 53.41 2b8a s GLN 101 Cb -0.00 -4.92 0.31 0.00 1.00 0.00 0.00 33.01 29.40 2b8a s GLN 101 CO 0.63 -1.77 1.06 -1.54 -2.12 0.00 0.00 175.29 171.55 2b8a s SER 102 N 3.62 0.41 -0.03 5.90 1.04 -1.26 -4.78 113.70 118.59 2b8a s SER 102 Ca 0.33 0.74 -0.03 0.00 0.48 0.00 0.00 55.95 57.47 2b8a s SER 102 Cb -0.05 -1.04 0.01 0.00 0.10 0.00 0.00 66.02 65.04 2b8a s SER 102 CO -0.09 -4.45 0.06 -0.24 0.98 0.00 0.00 173.24 169.50 2b8a n SER 103 N -5.00 -7.47 -2.66 7.02 2.88 -1.26 -5.03 113.62 102.11 2b8a n SER 103 Ca 0.12 1.75 -0.03 0.00 -1.33 0.00 0.00 58.87 59.38 2b8a n SER 103 Cb 0.59 -5.22 0.13 0.00 -0.75 0.00 0.00 64.21 58.96 2b8a n SER 103 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2b8a n GLN 104 N 1.80 1.32 -1.24 -1.46 7.27 -1.26 -4.96 117.38 118.85 2b8a n GLN 104 Ca -0.10 -1.28 -0.26 0.00 0.07 0.00 0.00 57.00 55.44 2b8a n GLN 104 Cb 0.15 0.35 0.16 0.00 2.41 0.00 0.00 30.24 33.31 2b8a n GLN 104 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2b8a n LYS 105 N -1.39 2.32 -2.64 3.69 0.00 -1.26 -4.97 118.16 113.91 2b8a n LYS 105 Ca -0.16 -3.03 -0.05 0.00 -0.00 0.00 0.00 58.31 55.08 2b8a n LYS 105 Cb 0.87 -2.19 -0.04 0.00 -0.00 0.00 0.00 35.03 33.67 2b8a n LYS 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2b8a n LYS 106 N -1.08 -4.37 -3.66 -1.58 5.02 -1.26 -5.05 118.16 106.17 2b8a n LYS 106 Ca 0.60 3.32 -0.18 0.00 -2.02 0.00 0.00 58.31 60.03 2b8a n LYS 106 Cb 1.47 -5.10 -0.16 0.00 -0.02 0.00 0.00 35.03 31.22 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 -0.86 0.90 -0.14 4.39 0.15 -1.26 -5.05 113.70 111.83 2b8a s SER 107 Ca -0.23 0.24 -0.11 0.00 0.70 0.00 0.00 55.95 56.55 2b8a s SER 107 Cb 0.02 0.16 -0.07 0.00 -1.71 0.00 0.00 66.02 64.42 2b8a s SER 107 CO 0.79 -0.25 -0.00 0.00 1.20 0.00 0.00 173.24 174.98 2b8a s ALA 109 N -2.59 -1.28 0.00 0.00 0.00 -1.26 -5.31 121.76 111.32 2b8a s ALA 109 Ca -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2b8a s ALA 109 Cb 0.02 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2b8a s ALA 109 CO 0.27 -1.04 0.00 0.39 0.00 0.00 0.00 175.76 175.38