#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 0.65 -4.41 3.17 2.88 -1.26 -4.78 113.62 109.87 2b8a n SER 2 Ca 0.00 -0.04 -0.45 0.00 -1.33 0.00 0.00 58.87 57.05 2b8a n SER 2 Cb 0.00 0.55 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 2b8a n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b8a s ARG 3 N -2.50 3.44 0.14 -1.46 1.70 -1.26 -5.01 118.95 114.00 2b8a s ARG 3 Ca -0.18 -1.72 0.07 0.00 -0.47 0.00 0.00 55.73 53.43 2b8a s ARG 3 Cb 0.07 -4.61 -0.04 0.00 -0.57 0.00 0.00 34.95 29.80 2b8a s ARG 3 CO 0.75 -1.63 -0.16 -1.54 -1.08 0.00 0.00 175.30 171.64 2b8a s SER 4 N 3.34 2.33 0.00 -2.89 1.04 -1.26 -4.90 113.70 111.36 2b8a s SER 4 Ca 0.24 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2b8a s SER 4 Cb -0.11 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2b8a s SER 4 CO -0.04 -0.10 0.00 -3.20 0.98 0.00 0.00 173.24 170.88 2b8a n ASN 5 N 0.40 0.00 -4.66 7.02 5.15 -1.26 -4.76 115.26 117.14 2b8a n ASN 5 Ca -0.14 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.41 2b8a n ASN 5 Cb 0.57 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.80 2b8a n ASN 5 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2b8a s ARG 6 N 0.00 4.27 0.00 1.20 1.81 -1.26 -5.00 118.95 119.97 2b8a s ARG 6 Ca 0.00 1.34 0.00 0.00 -1.72 0.00 0.00 55.73 55.35 2b8a s ARG 6 Cb 0.00 -3.63 0.00 0.00 -0.45 0.00 0.00 34.95 30.87 2b8a s ARG 6 CO 0.00 -0.59 0.00 0.94 -0.68 0.00 0.00 175.30 174.97 2b8a n GLN 7 N 6.15 0.13 -0.11 3.54 7.27 -1.26 -4.95 117.38 128.15 2b8a n GLN 7 Ca 0.11 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.29 2b8a n GLN 7 Cb 0.46 0.00 0.31 0.00 2.41 0.00 0.00 30.24 33.43 2b8a n GLN 7 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2b8a n LYS 8 N 0.00 2.00 0.00 3.69 4.81 -1.26 -5.05 118.16 122.36 2b8a n LYS 8 Ca 0.00 -1.51 0.00 0.00 -0.87 0.00 0.00 58.31 55.93 2b8a n LYS 8 Cb 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.61 2b8a n LYS 8 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2b8a n GLU 9 N 0.74 0.00 0.00 1.64 -0.58 -1.26 -4.88 120.64 116.30 2b8a n GLU 9 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2b8a n GLU 9 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 2b8a n GLU 9 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2b8a n TYR 10 N 10.46 0.00 -4.22 -0.32 4.02 -1.26 -5.15 117.16 120.69 2b8a n TYR 10 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 2b8a n TYR 10 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 2b8a n TYR 10 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2b8a s LYS 11 N 0.00 0.97 0.23 -0.72 -0.14 -1.26 -5.09 119.74 113.74 2b8a s LYS 11 Ca 0.00 -1.41 -0.31 0.00 -1.36 0.00 0.00 55.97 52.89 2b8a s LYS 11 Cb 0.00 -0.43 -0.14 0.00 -1.68 0.00 0.00 37.83 35.58 2b8a s LYS 11 CO 0.00 0.02 1.27 0.00 -0.76 0.00 0.00 175.35 175.88 2b8a n GLY 13 N 1.87 1.10 3.77 0.00 0.00 0.19 -4.94 105.19 107.18 2b8a n GLY 13 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.32 6.89 -0.28 1.61 -1.08 -0.67 -4.71 116.67 116.11 2b8a s ASP 14 Ca 0.00 2.23 -0.20 0.00 -0.52 0.00 0.00 52.55 54.07 2b8a s ASP 14 Cb 0.00 -2.61 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 2b8a s ASP 14 CO 0.00 -0.41 0.60 -0.76 0.52 0.00 0.00 175.17 175.12 2b8a s LEU 15 N -2.11 4.11 0.17 -1.34 1.43 -1.26 -0.57 118.68 119.12 2b8a s LEU 15 Ca 0.52 0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.11 2b8a s LEU 15 Cb -0.29 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 2b8a s LEU 15 CO 0.37 -0.41 0.08 0.68 0.23 0.00 0.00 176.35 177.30 2b8a s VAL 16 N 2.50 0.13 -0.13 -1.59 -7.23 0.33 -1.97 120.40 112.44 2b8a s VAL 16 Ca 0.24 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2b8a s VAL 16 Cb -0.15 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 2b8a s VAL 16 CO 0.10 -0.25 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.23 2b8a s PHE 17 N -4.05 2.99 -0.19 2.82 0.08 0.13 -0.66 117.98 119.10 2b8a s PHE 17 Ca 0.31 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.08 2b8a s PHE 17 Cb 0.07 -1.88 -0.02 0.00 -0.57 0.00 0.00 43.02 40.62 2b8a s PHE 17 CO 0.07 0.05 -0.04 0.00 -0.10 0.00 0.00 175.22 175.20 2b8a s ALA 18 N 0.04 2.87 -0.06 5.36 0.00 -1.04 -0.76 121.76 128.18 2b8a s ALA 18 Ca -0.01 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 2b8a s ALA 18 Cb -0.14 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2b8a s ALA 18 CO 0.03 -0.17 0.52 0.21 0.00 0.00 0.00 175.76 176.35 2b8a s LYS 19 N 1.04 4.28 0.05 0.00 2.47 0.00 -1.79 119.74 125.78 2b8a s LYS 19 Ca 0.01 0.57 0.05 0.00 -1.56 0.00 0.00 55.97 55.04 2b8a s LYS 19 Cb -0.15 -3.37 -0.02 0.00 -1.46 0.00 0.00 37.83 32.83 2b8a s LYS 19 CO 0.00 0.31 -0.15 -1.64 0.16 0.00 0.00 175.35 174.03 2b8a s MET 20 N 0.10 0.92 -0.25 4.03 -1.94 -1.25 -4.91 119.30 115.99 2b8a s MET 20 Ca 0.28 -0.84 -0.29 0.00 -1.71 0.00 0.00 55.69 53.13 2b8a s MET 20 Cb -0.17 -0.95 -0.03 0.00 2.01 0.00 0.00 34.83 35.70 2b8a s MET 20 CO 0.14 0.23 1.76 0.21 -0.01 0.00 0.00 175.02 177.35 2b8a s LYS 21 N -1.35 3.57 0.00 2.03 2.20 -1.26 -2.03 119.74 122.90 2b8a s LYS 21 Ca 0.01 1.65 0.00 0.00 -0.36 0.00 0.00 55.97 57.27 2b8a s LYS 21 Cb -0.09 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.10 2b8a s LYS 21 CO 0.02 -1.58 0.00 0.41 -0.36 0.00 0.00 175.35 173.84 2b8a n GLY 22 N 5.07 0.73 3.26 5.54 0.00 -1.26 -5.08 105.19 113.44 2b8a n GLY 22 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 0.18 0.71 1.61 2.02 -0.86 -5.08 117.35 113.94 2b8a s TYR 23 Ca 0.00 -0.58 -0.08 0.00 -0.37 0.00 0.00 57.07 56.04 2b8a s TYR 23 Cb 0.00 -0.02 0.06 0.00 -0.40 0.00 0.00 41.96 41.60 2b8a s TYR 23 CO 0.00 -0.62 1.04 -1.25 -1.57 0.00 0.00 175.55 173.16 2b8a s PRO 24 N -3.89 2.28 -0.33 -1.71 0.04 -1.26 -3.92 135.00 126.21 2b8a s PRO 24 Ca 0.08 -0.09 -0.40 0.00 0.04 0.00 0.00 61.00 60.63 2b8a s PRO 24 Cb 0.04 -2.12 -0.15 0.00 0.04 0.00 0.00 34.50 32.31 2b8a s PRO 24 CO -0.08 -1.24 1.89 0.72 0.04 0.00 0.00 177.00 178.33 2b8a n HIS 25 N -2.98 1.85 -3.64 0.56 8.25 -1.26 -4.62 115.22 113.38 2b8a n HIS 25 Ca 0.07 0.52 -0.36 0.00 -0.26 0.00 0.00 57.72 57.70 2b8a n HIS 25 Cb 0.60 -2.45 -0.07 0.00 1.12 0.00 0.00 29.99 29.19 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 4.67 3.45 -0.10 4.41 -0.11 -0.74 -4.85 118.94 125.67 2b8a s TRP 26 Ca 1.04 0.48 -0.35 0.00 1.22 0.00 0.00 56.10 58.49 2b8a s TRP 26 Cb -1.08 -2.24 -0.12 0.00 -1.50 0.00 0.00 33.47 28.53 2b8a s TRP 26 CO 0.63 0.30 1.86 -2.30 -4.62 0.00 0.00 176.95 172.81 2b8a n PRO 27 N 3.43 2.08 -4.15 5.86 -0.02 -1.26 -2.48 135.00 138.46 2b8a n PRO 27 Ca -0.14 0.76 -0.14 0.00 -2.02 0.00 0.00 63.50 61.96 2b8a n PRO 27 Cb 0.52 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 2b8a n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b8a s ALA 28 N 3.91 0.96 0.04 3.55 0.00 0.17 -2.34 121.76 128.04 2b8a s ALA 28 Ca 0.93 -1.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 2b8a s ALA 28 Cb -0.73 1.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 2b8a s ALA 28 CO 0.52 -0.72 0.07 0.50 0.00 0.00 0.00 175.76 176.13 2b8a s ARG 29 N -3.59 0.59 0.14 0.00 3.52 -0.98 -0.51 118.95 118.13 2b8a s ARG 29 Ca 0.34 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 2b8a s ARG 29 Cb 0.02 0.23 -0.07 0.00 -1.56 0.00 0.00 34.95 33.57 2b8a s ARG 29 CO 0.18 -0.14 1.04 0.42 -0.81 0.00 0.00 175.30 175.98 2b8a s ILE 30 N -2.92 4.18 0.00 4.11 -1.09 0.27 -1.56 121.20 124.19 2b8a s ILE 30 Ca -0.02 1.83 0.00 0.00 -2.23 0.00 0.00 60.65 60.23 2b8a s ILE 30 Cb 0.01 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2b8a s ILE 30 CO -0.06 0.29 0.00 -0.67 -1.23 0.00 0.00 174.94 173.27 2b8a n ASP 31 N 2.63 3.42 -3.50 3.58 2.03 -0.65 0.56 116.55 124.62 2b8a n ASP 31 Ca 0.03 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.23 2b8a n ASP 31 Cb 0.48 0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 41.47 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 -1.42 0.90 0.09 -0.67 2.02 -1.04 -4.91 118.70 113.67 2b8a s GLU 32 Ca 0.00 -0.20 -0.18 0.00 0.02 0.00 0.00 54.97 54.62 2b8a s GLU 32 Cb 0.00 0.42 0.04 0.00 0.10 0.00 0.00 34.13 34.68 2b8a s GLU 32 CO 0.00 -0.36 0.43 0.00 0.02 0.00 0.00 175.26 175.34 2b8a s MET 33 N -2.69 1.03 -0.80 1.61 0.23 -1.26 -1.50 119.30 115.93 2b8a s MET 33 Ca 0.01 -0.54 -0.26 0.00 -1.03 0.00 0.00 55.69 53.87 2b8a s MET 33 Cb -0.01 0.46 0.04 0.00 -1.53 0.00 0.00 34.83 33.79 2b8a s MET 33 CO -0.06 -0.39 1.30 -1.25 -2.03 0.00 0.00 175.02 172.59 2b8a s PRO 34 N -3.25 3.27 0.00 3.16 0.04 -1.26 -4.62 135.00 132.34 2b8a s PRO 34 Ca -0.01 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.56 2b8a s PRO 34 Cb 0.01 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2b8a s PRO 34 CO -0.08 -2.14 0.36 -0.85 0.04 0.00 0.00 177.00 174.33 2b8a n GLU 35 N 9.14 0.00 0.00 4.56 -0.00 -1.26 -4.97 120.64 128.11 2b8a n GLU 35 Ca 0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 57.16 57.02 2b8a n GLU 35 Cb 0.49 -0.17 0.00 0.00 -0.00 0.00 0.00 31.44 31.76 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2b8a n ALA 36 N 0.00 0.00 -3.30 -1.84 0.00 -1.26 -5.10 120.51 109.01 2b8a n ALA 36 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2b8a n ALA 36 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.85 -1.34 0.00 0.00 0.00 -1.26 -4.99 121.76 113.32 2b8a s ALA 37 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2b8a s ALA 37 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2b8a s ALA 37 CO 0.00 -1.45 0.00 1.33 0.00 0.00 0.00 175.76 175.64 2b8a n VAL 38 N 5.37 0.00 0.00 0.00 0.24 -1.26 -4.88 118.33 117.80 2b8a n VAL 38 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2b8a n VAL 38 Cb 0.50 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 -1.72 0.00 -0.02 7.34 4.01 -1.26 -4.73 118.16 121.78 2b8a n LYS 39 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2b8a n LYS 39 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2b8a n LYS 39 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2b8a n SER 40 N 2.36 0.00 -1.64 4.39 2.88 -1.26 -4.99 113.62 115.36 2b8a n SER 40 Ca 0.00 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2b8a n SER 40 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2b8a n SER 40 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2b8a n THR 41 N -0.07-10.34 0.11 2.46 -1.04 -1.26 -4.95 114.28 99.19 2b8a n THR 41 Ca 0.00 2.52 -0.06 0.00 -2.04 0.00 0.00 64.05 64.47 2b8a n THR 41 Cb 0.00 -4.55 -0.03 0.00 -1.82 0.00 0.00 70.33 63.93 2b8a n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b8a h ALA 42 N 3.14 -0.39 -0.18 2.41 0.00 -2.01 -3.43 119.26 118.79 2b8a h ALA 42 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 2b8a h ALA 42 Cb 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 17.79 17.73 2b8a h ALA 42 CO 0.00 -0.37 -0.51 0.09 0.00 0.00 0.00 179.25 178.46 2b8a n ASN 43 N -4.73 -1.08 -4.63 0.00 4.13 -1.26 -5.09 115.26 102.60 2b8a n ASN 43 Ca -0.04 -2.42 -0.35 0.00 1.68 0.00 0.00 54.58 53.45 2b8a n ASN 43 Cb 0.14 0.61 -0.10 0.00 -1.54 0.00 0.00 39.78 38.90 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2b8a s LYS 44 N -0.58 3.61 0.30 3.52 1.02 -1.26 -4.44 119.74 121.91 2b8a s LYS 44 Ca 0.20 -0.39 -0.03 0.00 0.02 0.00 0.00 55.97 55.78 2b8a s LYS 44 Cb 0.42 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 2b8a s LYS 44 CO -0.08 0.42 0.54 0.71 -0.92 0.00 0.00 175.35 176.02 2b8a s TYR 45 N -0.06 3.49 -0.65 3.18 1.51 0.61 -4.61 117.35 120.82 2b8a s TYR 45 Ca 0.05 0.52 -0.17 0.00 -1.01 0.00 0.00 57.07 56.46 2b8a s TYR 45 Cb -0.12 -2.01 0.14 0.00 -0.11 0.00 0.00 41.96 39.86 2b8a s TYR 45 CO 0.02 0.16 0.66 -1.14 -1.11 0.00 0.00 175.55 174.14 2b8a s GLN 46 N -3.81 3.19 0.03 -0.62 0.74 -0.56 -2.32 119.66 116.31 2b8a s GLN 46 Ca 0.42 -1.77 -0.01 0.00 0.05 0.00 0.00 55.36 54.05 2b8a s GLN 46 Cb -0.10 -4.36 -0.04 0.00 1.10 0.00 0.00 33.01 29.61 2b8a s GLN 46 CO 0.32 -1.41 0.20 0.54 -0.55 0.00 0.00 175.29 174.39 2b8a s VAL 47 N 1.67 5.40 -0.20 1.34 0.11 -0.87 -1.63 120.40 126.21 2b8a s VAL 47 Ca 0.11 -0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 58.79 2b8a s VAL 47 Cb -0.22 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.00 2b8a s VAL 47 CO 0.00 0.21 0.04 0.12 -3.33 0.00 0.00 175.10 172.14 2b8a s PHE 48 N -1.44 3.11 -0.42 1.54 5.36 -0.60 -2.63 117.98 122.90 2b8a s PHE 48 Ca 0.32 -0.25 -0.19 0.00 -0.96 0.00 0.00 56.93 55.84 2b8a s PHE 48 Cb -0.13 -2.11 0.02 0.00 -0.34 0.00 0.00 43.02 40.46 2b8a s PHE 48 CO 0.25 -0.12 0.57 -0.06 -1.46 0.00 0.00 175.22 174.39 2b8a s PHE 49 N 0.91 3.11 1.36 10.12 0.08 0.13 -2.31 117.98 131.37 2b8a s PHE 49 Ca 0.02 -0.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.76 2b8a s PHE 49 Cb -0.14 -3.17 0.35 0.00 -0.57 0.00 0.00 43.02 39.49 2b8a s PHE 49 CO 0.02 -0.78 0.95 -0.06 -0.10 0.00 0.00 175.22 175.25 2b8a s PHE 50 N 2.58 -0.07 0.00 0.36 0.08 -0.99 0.11 117.98 120.05 2b8a s PHE 50 Ca 0.19 0.76 0.00 0.00 0.12 0.00 0.00 56.93 58.00 2b8a s PHE 50 Cb -0.15 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 2b8a s PHE 50 CO 0.17 -4.73 0.00 0.41 -0.10 0.00 0.00 175.22 170.97 2b8a n GLY 51 N 1.32 0.85 0.10 4.36 0.00 -1.26 -3.45 105.19 107.11 2b8a n GLY 51 Ca 0.09 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 0.88 -3.07 2.61 -2.24 -1.24 -4.78 114.28 106.44 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 -0.52 0.04 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.76 -1.88 -3.28 4.78 -0.00 0.30 -5.00 115.22 107.38 2b8a n HIS 53 Ca -0.05 0.58 -0.29 0.00 -0.00 0.00 0.00 57.72 57.95 2b8a n HIS 53 Cb 0.70 -4.01 -0.03 0.00 -0.00 0.00 0.00 29.99 26.65 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 -5.70 3.68 -0.02 -0.41 2.02 -0.79 -4.81 118.70 112.67 2b8a s GLU 54 Ca 0.33 0.11 0.07 0.00 0.02 0.00 0.00 54.97 55.50 2b8a s GLU 54 Cb -0.15 -2.61 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 2b8a s GLU 54 CO 0.41 0.19 -0.23 0.95 0.02 0.00 0.00 175.26 176.60 2b8a s THR 55 N -2.08 1.87 0.26 3.63 -4.23 -1.26 0.18 115.64 114.00 2b8a s THR 55 Ca 0.45 -1.00 -0.16 0.00 -1.18 0.00 0.00 61.69 59.80 2b8a s THR 55 Cb -0.11 -1.55 0.01 0.00 1.34 0.00 0.00 72.50 72.19 2b8a s THR 55 CO 0.29 0.53 0.58 0.00 -0.54 0.00 0.00 174.62 175.47 2b8a s ALA 56 N -0.47 -0.68 -0.17 3.99 0.00 -1.08 -5.03 121.76 118.32 2b8a s ALA 56 Ca 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2b8a s ALA 56 Cb -0.10 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 2b8a s ALA 56 CO -0.00 -0.92 -0.08 -0.06 0.00 0.00 0.00 175.76 174.70 2b8a s PHE 57 N -3.97 2.92 0.10 0.00 0.40 -1.26 -2.05 117.98 114.12 2b8a s PHE 57 Ca 0.17 -0.66 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 2b8a s PHE 57 Cb -0.03 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 2b8a s PHE 57 CO 0.07 -0.29 0.00 -0.51 0.70 0.00 0.00 175.22 175.20 2b8a s LEU 58 N 0.75 2.17 0.69 -0.37 1.02 -0.98 -4.89 118.68 117.08 2b8a s LEU 58 Ca -0.03 -1.10 -0.01 0.00 0.02 0.00 0.00 54.13 53.01 2b8a s LEU 58 Cb -0.15 0.19 0.11 0.00 0.02 0.00 0.00 46.19 46.36 2b8a s LEU 58 CO 0.02 -0.64 0.96 -0.83 0.02 0.00 0.00 176.35 175.88 2b8a s GLY 59 N -3.00 1.77 0.48 -3.19 0.00 -1.26 -0.28 107.32 101.83 2b8a s GLY 59 Ca 0.16 -1.63 0.26 0.00 0.00 0.00 0.00 44.72 43.50 2b8a s GLY 59 CO -0.04 -1.12 1.96 -0.56 0.00 0.00 0.00 173.10 173.34 2b8a h PRO 60 N -0.43 0.00 0.00 2.90 0.13 -1.91 -2.39 132.00 130.31 2b8a h PRO 60 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2b8a h PRO 60 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2b8a h PRO 60 CO 0.43 0.18 -0.26 0.87 -0.23 0.00 0.00 178.00 178.99 2b8a h LYS 61 N 0.00 0.00 -0.37 0.86 1.57 -1.96 -2.61 116.57 114.06 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 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2b8a h LYS 61 CO 0.02 0.26 0.00 -0.25 -0.57 0.00 0.00 179.45 178.91 2b8a n ASP 62 N -3.53 3.47 -4.42 0.86 8.00 -0.91 -4.92 116.55 115.11 2b8a n ASP 62 Ca -0.01 -2.00 -0.32 0.00 0.71 0.00 0.00 54.79 53.17 2b8a n ASP 62 Cb 0.41 -0.24 -0.14 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.53 2.51 0.16 0.64 1.43 -0.98 -0.82 118.68 120.09 2b8a s LEU 63 Ca 0.38 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2b8a s LEU 63 Cb 0.23 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2b8a s LEU 63 CO 0.32 0.33 0.05 -0.36 0.23 0.00 0.00 176.35 176.91 2b8a s PHE 64 N -0.64 1.05 -0.27 0.29 0.40 0.06 -4.91 117.98 113.96 2b8a s PHE 64 Ca 0.10 -1.17 -0.29 0.00 -0.60 0.00 0.00 56.93 54.97 2b8a s PHE 64 Cb -0.11 -0.59 -0.00 0.00 0.51 0.00 0.00 43.02 42.83 2b8a s PHE 64 CO 0.00 -0.41 1.32 -2.14 0.70 0.00 0.00 175.22 174.69 2b8a s PRO 65 N -4.01 3.95 0.11 0.24 0.02 -1.26 0.21 135.00 134.26 2b8a s PRO 65 Ca 0.26 1.33 -0.32 0.00 0.02 0.00 0.00 61.00 62.30 2b8a s PRO 65 Cb 0.07 -3.87 -0.11 0.00 0.02 0.00 0.00 34.50 30.61 2b8a s PRO 65 CO 0.04 -1.07 1.59 -0.92 -0.33 0.00 0.00 177.00 176.30 2b8a h TYR 66 N 9.23 -1.21 -0.87 6.54 3.20 -1.67 0.59 116.97 132.79 2b8a h TYR 66 Ca -0.27 0.03 0.20 0.00 3.14 0.00 0.00 58.73 61.83 2b8a h TYR 66 Cb 1.10 0.51 -0.12 0.00 1.54 0.00 0.00 36.73 39.76 2b8a h TYR 66 CO 0.87 -0.54 0.38 0.93 -1.64 0.00 0.00 178.16 178.16 2b8a h GLU 67 N -0.70 0.41 -0.31 1.82 5.08 -1.92 2.28 114.58 121.24 2b8a h GLU 67 Ca 0.01 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 2b8a h GLU 67 Cb 0.70 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2b8a h GLU 67 CO -0.22 0.27 -0.50 1.49 -1.00 0.00 0.00 179.01 179.06 2b8a h GLU 68 N 0.43 0.88 -0.48 2.33 4.57 -1.82 -3.26 114.58 117.22 2b8a h GLU 68 Ca 0.53 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2b8a h GLU 68 Cb 0.95 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2b8a h GLU 68 CO -0.50 1.17 0.00 0.43 -1.18 0.00 0.00 179.01 178.93 2b8a n SER 69 N -4.02 3.89 -0.15 1.04 7.64 0.15 -4.60 113.62 117.58 2b8a n SER 69 Ca -0.04 -2.35 -0.06 0.00 1.01 0.00 0.00 58.87 57.44 2b8a n SER 69 Cb 0.60 -0.44 0.03 0.00 -1.01 0.00 0.00 64.21 63.39 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 2.99 0.49 -0.38 1.43 2.10 0.37 1.02 116.57 124.58 2b8a h LYS 70 Ca 0.00 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.51 2b8a h LYS 70 Cb 1.16 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.36 2b8a h LYS 70 CO 0.13 0.32 -0.22 0.93 -2.00 0.00 0.00 179.45 178.61 2b8a h GLU 71 N 0.50 0.75 0.14 0.07 5.08 -1.82 1.08 114.58 120.39 2b8a h GLU 71 Ca 0.20 -0.30 -0.26 0.00 -1.00 0.00 0.00 59.36 58.00 2b8a h GLU 71 Cb 0.07 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.30 2b8a h GLU 71 CO -0.12 0.90 -1.25 1.57 -1.00 0.00 0.00 179.01 179.11 2b8a h LYS 72 N 0.66 0.31 0.00 2.33 2.10 -1.78 -3.37 116.57 116.81 2b8a h LYS 72 Ca 0.09 -0.52 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2b8a h LYS 72 Cb 0.72 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 2b8a h LYS 72 CO 0.06 1.25 -1.01 1.19 -2.00 0.00 0.00 179.45 178.94 2b8a n PHE 73 N -3.94 0.15 -2.61 0.07 3.72 0.35 -4.65 117.46 110.54 2b8a n PHE 73 Ca -0.20 0.04 -0.43 0.00 -0.05 0.00 0.00 57.45 56.81 2b8a n PHE 73 Cb 0.91 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 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 1.41 4.12 3.16 1.37 0.00 0.37 -4.86 105.19 110.76 2b8a n GLY 74 Ca 0.03 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 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 0.95 0.53 0.78 1.61 -0.14 -1.26 -4.79 119.74 117.42 2b8a s LYS 75 Ca 0.41 -0.23 -0.16 0.00 -1.36 0.00 0.00 55.97 54.63 2b8a s LYS 75 Cb 0.04 0.23 -0.05 0.00 -1.68 0.00 0.00 37.83 36.37 2b8a s LYS 75 CO 0.00 -0.13 0.28 -2.30 -0.76 0.00 0.00 175.35 172.44 2b8a n PRO 76 N 1.56 0.12 -4.22 -1.68 -0.02 -1.26 -4.84 135.00 124.66 2b8a n PRO 76 Ca -0.21 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.22 2b8a n PRO 76 Cb 0.56 -1.66 -0.10 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.48 0.76 0.14 2.55 3.04 -1.26 -5.01 114.94 113.68 2b8a s ASN 77 Ca 0.60 -1.27 0.24 0.00 0.04 0.00 0.00 52.86 52.47 2b8a s ASN 77 Cb -0.32 0.23 0.32 0.00 -1.54 0.00 0.00 41.25 39.94 2b8a s ASN 77 CO 0.64 -0.70 1.30 0.11 -3.04 0.00 0.00 177.10 175.41 2b8a h LYS 78 N 2.66 0.00 0.00 0.43 6.56 -2.03 -3.29 116.57 120.90 2b8a h LYS 78 Ca -0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 2b8a h LYS 78 Cb 1.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2b8a h LYS 78 CO 0.59 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 178.52 2b8a n ARG 79 N -2.19 0.14 -1.36 3.15 3.00 -1.26 -4.97 116.66 113.17 2b8a n ARG 79 Ca 0.03 0.46 0.00 0.00 -0.01 0.00 0.00 57.85 58.33 2b8a n ARG 79 Cb 0.45 -1.82 0.00 0.00 0.00 0.00 0.00 32.46 31.09 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 -2.10 -3.85 0.00 5.56 4.76 -1.24 -4.78 118.16 116.51 2b8a n LYS 80 Ca 0.01 2.89 0.00 0.00 -2.87 0.00 0.00 58.31 58.35 2b8a n LYS 80 Cb 0.16 -3.32 0.00 0.00 -1.84 0.00 0.00 35.03 30.02 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 -1.21 2.69 0.38 0.72 0.00 -1.26 -4.90 105.19 101.60 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 -0.88 -0.59 1.61 3.04 -1.89 -2.91 116.94 115.32 2b8a h PHE 82 Ca 0.00 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.03 2b8a h PHE 82 Cb 0.00 0.30 -0.07 0.00 2.56 0.00 0.00 35.95 38.74 2b8a h PHE 82 CO 0.00 -0.52 0.19 0.66 -2.02 0.00 0.00 178.31 176.62 2b8a h SER 83 N -0.87 0.15 -1.10 0.41 4.64 -1.90 0.79 113.55 115.66 2b8a h SER 83 Ca -0.08 0.09 0.32 0.00 -0.47 0.00 0.00 61.79 61.64 2b8a h SER 83 Cb 0.69 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.82 2b8a h SER 83 CO 0.10 0.09 0.78 -0.08 -0.87 0.00 0.00 176.83 176.86 2b8a h GLU 84 N 0.35 0.04 -0.01 4.77 4.81 -1.90 0.88 114.58 123.52 2b8a h GLU 84 Ca 0.30 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.36 2b8a h GLU 84 Cb 0.39 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2b8a h GLU 84 CO -0.33 0.03 -0.74 0.78 -0.73 0.00 0.00 179.01 178.02 2b8a h GLY 85 N 0.04 0.12 1.00 1.92 0.00 -0.68 -3.04 103.07 102.43 2b8a h GLY 85 Ca 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 2b8a h GLY 85 CO -0.04 0.16 0.37 1.41 0.00 0.00 0.00 176.54 178.44 2b8a h LEU 86 N 0.07 0.72 -0.37 3.11 3.38 0.92 -1.01 115.31 122.13 2b8a h LEU 86 Ca -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2b8a h LEU 86 Cb 1.30 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2b8a h LEU 86 CO 0.10 0.56 0.13 -0.25 0.09 0.00 0.00 178.44 179.08 2b8a h TRP 87 N 0.82 0.57 0.12 1.13 7.01 -1.49 -3.00 115.95 121.11 2b8a h TRP 87 Ca 0.22 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2b8a h TRP 87 Cb -0.03 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 26.86 2b8a h TRP 87 CO -0.02 0.54 -0.06 0.93 -2.79 0.00 0.00 178.44 177.04 2b8a h GLU 88 N 0.44 -0.15 -0.49 2.65 3.07 -1.38 0.84 114.58 119.56 2b8a h GLU 88 Ca 0.12 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.13 2b8a h GLU 88 Cb 0.22 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 2b8a h GLU 88 CO -0.01 0.02 0.50 0.97 -1.40 0.00 0.00 179.01 179.09 2b8a h ILE 89 N -0.31 0.39 0.00 3.13 2.10 -1.19 1.17 117.51 122.80 2b8a h ILE 89 Ca -0.02 0.00 -0.43 0.00 1.08 0.00 0.00 64.86 65.50 2b8a h ILE 89 Cb 0.25 0.61 -0.07 0.00 -1.09 0.00 0.00 36.82 36.52 2b8a h ILE 89 CO 0.03 0.00 -2.51 -0.62 -1.08 0.00 0.00 178.15 173.96 2b8a n GLU 90 N -3.77 0.62 0.05 2.19 1.02 -0.99 -4.22 120.64 115.55 2b8a n GLU 90 Ca 0.09 0.20 -0.10 0.00 -0.02 0.00 0.00 57.16 57.33 2b8a n GLU 90 Cb 0.69 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.47 0.13 -1.25 1.62 2.35 0.10 -3.43 115.58 114.63 2b8a h ASN 91 Ca -0.64 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 54.80 2b8a h ASN 91 Cb 1.77 -0.04 -0.22 0.00 0.05 0.00 0.00 38.32 39.88 2b8a h ASN 91 CO -0.25 1.13 -0.52 0.21 -1.65 0.00 0.00 177.43 176.35 2b8a s ASN 92 N -6.70 -0.84 0.02 5.81 3.84 0.40 -5.00 114.94 112.47 2b8a s ASN 92 Ca -0.02 -1.12 0.24 0.00 0.21 0.00 0.00 52.86 52.16 2b8a s ASN 92 Cb 0.09 1.58 1.01 0.00 -0.55 0.00 0.00 41.25 43.37 2b8a s ASN 92 CO 0.84 -0.18 1.76 -0.81 -2.79 0.00 0.00 177.10 175.92 2b8a n PRO 93 N 4.19 0.02 -0.43 0.43 -0.04 -0.98 -2.93 135.00 135.25 2b8a n PRO 93 Ca 0.12 0.11 0.10 0.00 -0.04 0.00 0.00 63.50 63.79 2b8a n PRO 93 Cb 0.54 -1.53 0.32 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.56 1.28 -1.89 0.52 -2.24 -1.26 -4.96 114.28 104.16 2b8a n THR 94 Ca 0.06 -1.08 -0.40 0.00 -2.27 0.00 0.00 64.05 60.36 2b8a n THR 94 Cb 0.29 0.38 0.01 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.29 2.27 -0.16 2.28 0.11 -1.15 -5.02 120.40 117.44 2b8a s VAL 95 Ca 0.47 0.25 -0.25 0.00 -2.93 0.00 0.00 61.98 59.52 2b8a s VAL 95 Cb 0.27 -3.15 0.06 0.00 -1.53 0.00 0.00 36.38 32.03 2b8a s VAL 95 CO 0.29 0.04 0.64 -1.59 -3.33 0.00 0.00 175.10 171.15 2b8a s LYS 96 N -2.29 0.87 -0.41 1.54 -2.85 -1.26 -5.07 119.74 110.27 2b8a s LYS 96 Ca 0.58 0.59 -0.19 0.00 -1.00 0.00 0.00 55.97 55.95 2b8a s LYS 96 Cb -0.42 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 35.78 2b8a s LYS 96 CO 0.55 -0.19 0.53 0.00 0.10 0.00 0.00 175.35 176.34 2b8a s ALA 97 N -0.34 3.41 0.29 0.59 0.00 -1.26 -4.95 121.76 119.49 2b8a s ALA 97 Ca -0.05 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2b8a s ALA 97 Cb -0.03 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2b8a s ALA 97 CO 0.04 -1.58 0.00 0.43 0.00 0.00 0.00 175.76 174.65 2b8a n SER 98 N 5.87 -7.89 0.00 0.00 7.64 -1.26 -4.99 113.62 112.99 2b8a n SER 98 Ca -0.05 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2b8a n SER 98 Cb 0.48 -3.75 0.00 0.00 -1.01 0.00 0.00 64.21 59.93 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 -3.69 1.39 3.31 0.23 0.00 -1.26 -5.10 105.19 100.07 2b8a n GLY 99 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.92 0.18 -0.08 1.61 5.04 -1.26 -5.07 117.35 116.86 2b8a s TYR 100 Ca 0.00 -0.56 -0.06 0.00 -2.44 0.00 0.00 57.07 54.01 2b8a s TYR 100 Cb 0.00 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.37 2b8a s TYR 100 CO 0.00 -0.68 0.12 1.04 -1.34 0.00 0.00 175.55 174.69 2b8a n GLN 101 N -0.18 -4.86 -3.49 4.97 6.02 -1.26 -5.07 117.38 113.51 2b8a n GLN 101 Ca -0.11 3.59 -0.03 0.00 -0.01 0.00 0.00 57.00 60.44 2b8a n GLN 101 Cb 0.63 -4.83 -0.05 0.00 1.02 0.00 0.00 30.24 27.01 2b8a n GLN 101 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2b8a s SER 102 N -0.62 -0.82 -0.36 1.08 0.01 -1.26 -5.03 113.70 106.70 2b8a s SER 102 Ca -0.14 1.10 -0.07 0.00 1.31 0.00 0.00 55.95 58.16 2b8a s SER 102 Cb 0.01 1.89 0.01 0.00 0.21 0.00 0.00 66.02 68.14 2b8a s SER 102 CO 0.36 -0.24 0.26 -0.24 0.41 0.00 0.00 173.24 173.79 2b8a n SER 103 N 5.42 -7.99 -0.13 2.44 2.88 -1.26 -5.00 113.62 109.98 2b8a n SER 103 Ca -0.07 1.05 -0.25 0.00 -1.33 0.00 0.00 58.87 58.26 2b8a n SER 103 Cb 0.50 -5.36 -0.11 0.00 -0.75 0.00 0.00 64.21 58.49 2b8a n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b8a n GLN 104 N 0.27 0.61 -1.93 -1.46 6.02 -1.26 -4.84 117.38 114.78 2b8a n GLN 104 Ca 0.05 0.24 -0.03 0.00 -0.01 0.00 0.00 57.00 57.24 2b8a n GLN 104 Cb 0.20 -1.51 0.04 0.00 1.02 0.00 0.00 30.24 29.98 2b8a n GLN 104 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2b8a n LYS 105 N -3.91 0.76 -2.69 -1.09 2.85 -1.26 -5.07 118.16 107.75 2b8a n LYS 105 Ca -0.51 -1.35 -0.02 0.00 -1.05 0.00 0.00 58.31 55.39 2b8a n LYS 105 Cb 0.92 0.28 0.00 0.00 -0.65 0.00 0.00 35.03 35.58 2b8a n LYS 105 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2b8a n LYS 106 N -0.73 -3.15 -2.09 -1.58 3.00 -1.26 -5.02 118.16 107.33 2b8a n LYS 106 Ca -0.19 2.58 -0.27 0.00 -0.00 0.00 0.00 58.31 60.43 2b8a n LYS 106 Cb 0.82 -5.28 0.10 0.00 0.00 0.00 0.00 35.03 30.67 2b8a n LYS 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2b8a s SER 107 N -1.76 4.39 0.00 3.14 0.15 -1.26 -5.04 113.70 113.31 2b8a s SER 107 Ca 0.05 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2b8a s SER 107 Cb -0.01 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 2b8a s SER 107 CO 0.75 -1.91 0.00 0.00 1.20 0.00 0.00 173.24 173.28 2b8a s ALA 109 N -1.93 4.14 -2.06 0.00 0.00 -1.26 -5.34 121.76 115.31 2b8a s ALA 109 Ca 0.00 -1.38 0.32 0.00 0.00 0.00 0.00 51.96 50.89 2b8a s ALA 109 Cb 0.00 -1.78 1.81 0.00 0.00 0.00 0.00 23.12 23.14 2b8a s ALA 109 CO 0.00 -0.14 2.17 0.39 0.00 0.00 0.00 175.76 178.19