#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 0.00 -3.98 7.83 3.41 -1.26 -5.07 113.62 114.55 2b8a n SER 2 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 2b8a n SER 2 Cb 0.00 0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 64.15 2b8a n SER 2 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2b8a s ARG 3 N -1.81 1.43 -0.40 4.33 3.52 -1.26 -5.02 118.95 119.73 2b8a s ARG 3 Ca 0.00 -1.70 0.06 0.00 -0.13 0.00 0.00 55.73 53.96 2b8a s ARG 3 Cb 0.00 -2.99 0.17 0.00 -1.56 0.00 0.00 34.95 30.57 2b8a s ARG 3 CO 0.00 -0.91 0.53 -1.12 -0.81 0.00 0.00 175.30 172.99 2b8a s SER 4 N 1.03 -0.37 0.25 -2.12 0.01 -1.26 -5.15 113.70 106.10 2b8a s SER 4 Ca 0.09 -1.22 0.02 0.00 1.31 0.00 0.00 55.95 56.14 2b8a s SER 4 Cb -0.19 1.34 -0.03 0.00 0.21 0.00 0.00 66.02 67.35 2b8a s SER 4 CO -0.10 -0.20 0.42 0.54 0.41 0.00 0.00 173.24 174.31 2b8a s ASN 5 N 1.57 6.33 -0.30 2.44 2.20 -1.26 -5.10 114.94 120.82 2b8a s ASN 5 Ca 0.18 0.29 -0.08 0.00 -0.94 0.00 0.00 52.86 52.31 2b8a s ASN 5 Cb -0.08 -1.96 0.17 0.00 -2.00 0.00 0.00 41.25 37.38 2b8a s ASN 5 CO -0.05 -0.12 0.75 -0.13 -2.94 0.00 0.00 177.10 174.61 2b8a s ARG 6 N -3.84 0.46 0.09 3.55 1.81 -1.26 -5.14 118.95 114.62 2b8a s ARG 6 Ca 0.37 0.95 -0.30 0.00 -1.72 0.00 0.00 55.73 55.03 2b8a s ARG 6 Cb -0.10 0.55 -0.06 0.00 -0.45 0.00 0.00 34.95 34.89 2b8a s ARG 6 CO 0.31 -0.36 1.15 -0.65 -0.68 0.00 0.00 175.30 175.07 2b8a s GLN 7 N 2.82 4.49 -0.20 3.54 -0.21 -1.26 -5.03 119.66 123.81 2b8a s GLN 7 Ca 0.07 1.72 -0.15 0.00 0.02 0.00 0.00 55.36 57.02 2b8a s GLN 7 Cb -0.12 -3.34 0.06 0.00 1.00 0.00 0.00 33.01 30.61 2b8a s GLN 7 CO -0.18 -0.15 0.52 0.21 -2.12 0.00 0.00 175.29 173.57 2b8a s LYS 8 N 0.64 0.57 -0.03 2.91 2.20 -1.26 -5.16 119.74 119.61 2b8a s LYS 8 Ca 0.55 0.81 -0.11 0.00 -0.36 0.00 0.00 55.97 56.87 2b8a s LYS 8 Cb -0.29 0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.17 2b8a s LYS 8 CO 0.31 -0.11 0.31 -1.21 -0.36 0.00 0.00 175.35 174.29 2b8a s GLU 9 N 0.77 3.72 0.30 4.03 2.02 -1.26 -5.03 118.70 123.26 2b8a s GLU 9 Ca -0.04 0.18 0.10 0.00 0.02 0.00 0.00 54.97 55.23 2b8a s GLU 9 Cb -0.05 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.95 2b8a s GLU 9 CO -0.06 0.71 -0.10 0.71 0.02 0.00 0.00 175.26 176.54 2b8a s TYR 10 N -1.11 2.44 0.14 1.61 2.02 -1.26 -5.16 117.35 116.04 2b8a s TYR 10 Ca 0.22 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 2b8a s TYR 10 Cb -0.15 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 2b8a s TYR 10 CO 0.11 0.62 -0.01 0.15 -1.57 0.00 0.00 175.55 174.85 2b8a s LYS 11 N -3.60 1.00 0.12 -0.62 -0.14 -1.26 -5.07 119.74 110.16 2b8a s LYS 11 Ca 0.32 -1.46 -0.35 0.00 -1.36 0.00 0.00 55.97 53.11 2b8a s LYS 11 Cb -0.03 -0.18 -0.15 0.00 -1.68 0.00 0.00 37.83 35.79 2b8a s LYS 11 CO 0.17 -0.12 1.48 0.00 -0.76 0.00 0.00 175.35 176.13 2b8a n GLY 13 N 3.06 1.01 3.77 0.00 0.00 -0.22 -4.97 105.19 107.83 2b8a n GLY 13 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.51 6.98 -0.31 1.61 -1.08 -0.08 -4.77 116.67 116.50 2b8a s ASP 14 Ca 0.00 2.29 -0.19 0.00 -0.52 0.00 0.00 52.55 54.13 2b8a s ASP 14 Cb 0.00 -2.62 -0.01 0.00 -1.46 0.00 0.00 42.92 38.83 2b8a s ASP 14 CO 0.00 -0.35 0.55 -0.76 0.52 0.00 0.00 175.17 175.13 2b8a s LEU 15 N -1.89 4.19 0.24 -1.34 1.43 -1.26 -1.52 118.68 118.52 2b8a s LEU 15 Ca 0.50 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 2b8a s LEU 15 Cb -0.31 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 2b8a s LEU 15 CO 0.39 -0.42 0.16 0.68 0.23 0.00 0.00 176.35 177.39 2b8a s VAL 16 N 2.44 0.05 -0.08 -1.59 -7.23 -0.33 -2.16 120.40 111.50 2b8a s VAL 16 Ca 0.21 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 2b8a s VAL 16 Cb -0.15 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 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 -3.94 2.79 -0.20 2.82 0.08 0.45 -1.21 117.98 118.77 2b8a s PHE 17 Ca 0.39 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 57.16 2b8a s PHE 17 Cb 0.06 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2b8a s PHE 17 CO 0.16 0.10 -0.07 0.00 -0.10 0.00 0.00 175.22 175.32 2b8a s ALA 18 N -0.42 2.76 -0.09 5.36 0.00 -1.07 -1.74 121.76 126.56 2b8a s ALA 18 Ca 0.05 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 50.70 2b8a s ALA 18 Cb -0.12 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 2b8a s ALA 18 CO 0.02 -0.30 0.52 0.21 0.00 0.00 0.00 175.76 176.21 2b8a s LYS 19 N 1.26 4.32 0.03 0.00 2.47 -0.72 -1.86 119.74 125.24 2b8a s LYS 19 Ca 0.03 0.54 0.04 0.00 -1.56 0.00 0.00 55.97 55.02 2b8a s LYS 19 Cb -0.14 -3.41 -0.02 0.00 -1.46 0.00 0.00 37.83 32.80 2b8a s LYS 19 CO -0.03 0.21 -0.12 -1.64 0.16 0.00 0.00 175.35 173.94 2b8a s MET 20 N 0.42 0.78 -0.08 4.03 -1.94 -1.22 -4.92 119.30 116.37 2b8a s MET 20 Ca 0.28 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 53.29 2b8a s MET 20 Cb -0.16 -0.74 -0.05 0.00 2.01 0.00 0.00 34.83 35.88 2b8a s MET 20 CO 0.12 0.18 1.72 -1.59 -0.01 0.00 0.00 175.02 175.44 2b8a s LYS 21 N -1.07 4.06 0.00 2.03 0.00 -1.26 -1.85 119.74 121.64 2b8a s LYS 21 Ca -0.01 2.15 0.00 0.00 0.00 0.00 0.00 55.97 58.11 2b8a s LYS 21 Cb -0.07 -4.04 0.00 0.00 0.00 0.00 0.00 37.83 33.72 2b8a s LYS 21 CO 0.01 -1.00 0.00 0.41 0.00 0.00 0.00 175.35 174.77 2b8a n GLY 22 N 4.36 0.53 3.45 0.59 0.00 -1.26 -5.06 105.19 107.80 2b8a n GLY 22 Ca 0.18 0.00 -0.14 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 -0.58 0.92 1.61 2.02 -0.77 -5.09 117.35 113.46 2b8a s TYR 23 Ca 0.00 1.30 -0.12 0.00 -0.37 0.00 0.00 57.07 57.88 2b8a s TYR 23 Cb 0.00 0.24 0.14 0.00 -0.40 0.00 0.00 41.96 41.94 2b8a s TYR 23 CO 0.00 -0.37 1.11 -1.25 -1.57 0.00 0.00 175.55 173.47 2b8a s PRO 24 N -0.17 1.08 -0.38 -1.71 0.04 -1.26 -3.43 135.00 129.16 2b8a s PRO 24 Ca -0.04 0.48 -0.41 0.00 0.04 0.00 0.00 61.00 61.08 2b8a s PRO 24 Cb -0.03 -1.82 -0.16 0.00 0.04 0.00 0.00 34.50 32.53 2b8a s PRO 24 CO 0.03 -2.28 1.90 0.72 0.04 0.00 0.00 177.00 177.40 2b8a n HIS 25 N -3.86 1.73 -3.67 0.56 8.25 -1.26 -4.63 115.22 112.34 2b8a n HIS 25 Ca 0.06 0.63 -0.36 0.00 -0.26 0.00 0.00 57.72 57.80 2b8a n HIS 25 Cb 0.58 -2.40 -0.07 0.00 1.12 0.00 0.00 29.99 29.21 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 4.75 3.47 -0.15 4.41 -0.11 -0.78 -4.85 118.94 125.69 2b8a s TRP 26 Ca 1.06 0.49 -0.35 0.00 1.22 0.00 0.00 56.10 58.52 2b8a s TRP 26 Cb -1.19 -2.20 -0.12 0.00 -1.50 0.00 0.00 33.47 28.46 2b8a s TRP 26 CO 0.65 0.35 1.89 -2.30 -4.62 0.00 0.00 176.95 172.93 2b8a n PRO 27 N 3.24 1.91 -4.15 5.86 -0.02 -1.26 -2.61 135.00 137.97 2b8a n PRO 27 Ca -0.15 0.69 -0.14 0.00 -2.02 0.00 0.00 63.50 61.88 2b8a n PRO 27 Cb 0.52 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 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 4.37 0.94 0.04 3.55 0.00 -0.35 -2.40 121.76 127.92 2b8a s ALA 28 Ca 0.95 -1.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 2b8a s ALA 28 Cb -0.76 1.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 2b8a s ALA 28 CO 0.54 -0.71 0.06 0.50 0.00 0.00 0.00 175.76 176.15 2b8a s ARG 29 N -3.67 0.59 0.15 0.00 3.52 -0.97 -1.19 118.95 117.38 2b8a s ARG 29 Ca 0.34 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.76 2b8a s ARG 29 Cb 0.03 0.22 -0.07 0.00 -1.56 0.00 0.00 34.95 33.57 2b8a s ARG 29 CO 0.17 -0.14 1.04 0.42 -0.81 0.00 0.00 175.30 175.98 2b8a s ILE 30 N -2.97 4.15 0.00 4.11 -1.09 -0.57 -1.91 121.20 122.92 2b8a s ILE 30 Ca -0.02 1.82 0.00 0.00 -2.23 0.00 0.00 60.65 60.22 2b8a s ILE 30 Cb 0.01 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 2b8a s ILE 30 CO -0.06 0.30 0.00 0.47 -1.23 0.00 0.00 174.94 174.41 2b8a n ASP 31 N 2.58 3.42 -3.49 3.58 8.00 -0.91 -1.06 116.55 128.68 2b8a n ASP 31 Ca 0.03 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 2b8a n ASP 31 Cb 0.47 0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 42.23 2b8a n ASP 31 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2b8a s GLU 32 N -1.37 1.02 0.23 -1.24 0.41 -1.21 -4.95 118.70 111.59 2b8a s GLU 32 Ca 0.00 -0.17 -0.15 0.00 -0.41 0.00 0.00 54.97 54.24 2b8a s GLU 32 Cb 0.00 0.47 0.01 0.00 -1.78 0.00 0.00 34.13 32.83 2b8a s GLU 32 CO 0.00 -0.40 0.50 0.00 -0.49 0.00 0.00 175.26 174.87 2b8a s MET 33 N -2.64 1.50 -0.27 1.61 0.23 -1.26 -2.44 119.30 116.03 2b8a s MET 33 Ca -0.01 -1.11 -0.33 0.00 -1.03 0.00 0.00 55.69 53.20 2b8a s MET 33 Cb -0.01 0.49 -0.10 0.00 -1.53 0.00 0.00 34.83 33.69 2b8a s MET 33 CO -0.05 -0.63 2.13 -2.30 -2.03 0.00 0.00 175.02 172.14 2b8a n PRO 34 N -0.37 1.49 0.00 3.16 -0.02 -1.26 -4.90 135.00 133.10 2b8a n PRO 34 Ca -0.05 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2b8a n PRO 34 Cb 0.62 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 7.98 0.00 0.00 -0.52 1.02 -1.26 -5.02 120.64 122.84 2b8a n GLU 35 Ca 0.35 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2b8a n GLU 35 Cb 0.29 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b8a n ALA 36 N -0.70 0.00 -3.35 0.62 0.00 -1.26 -5.06 120.51 110.75 2b8a n ALA 36 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2b8a n ALA 36 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.93 -0.66 0.00 0.00 0.00 -1.26 -4.96 121.76 113.94 2b8a s ALA 37 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2b8a s ALA 37 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2b8a s ALA 37 CO 0.00 -1.98 0.00 1.33 0.00 0.00 0.00 175.76 175.11 2b8a n VAL 38 N 4.68 0.00 0.00 0.00 0.24 -1.26 -5.05 118.33 116.94 2b8a n VAL 38 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2b8a n VAL 38 Cb 0.47 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 -1.80 0.00 -0.15 7.34 4.76 -1.26 -4.68 118.16 122.37 2b8a n LYS 39 Ca 0.00 0.00 0.29 0.00 -2.87 0.00 0.00 58.31 55.73 2b8a n LYS 39 Cb 0.00 0.00 0.68 0.00 -1.84 0.00 0.00 35.03 33.87 2b8a n LYS 39 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2b8a h SER 40 N 0.00 0.00 -3.73 4.39 4.64 -2.01 -3.39 113.55 113.45 2b8a h SER 40 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2b8a h SER 40 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 2b8a h SER 40 CO 0.00 0.00 -0.33 0.28 -0.87 0.00 0.00 176.83 175.91 2b8a s THR 41 N -4.70 -0.01 0.25 2.95 -1.32 -1.26 -5.02 115.64 106.54 2b8a s THR 41 Ca -0.04 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 2b8a s THR 41 Cb 0.18 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 2b8a s THR 41 CO 0.63 0.01 0.00 0.00 -2.21 0.00 0.00 174.62 173.05 2b8a n ALA 42 N 3.20 0.00 1.35 11.08 0.00 -1.26 -4.43 120.51 130.44 2b8a n ALA 42 Ca -0.15 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.42 2b8a n ALA 42 Cb 0.57 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.59 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 -3.05 0.49 -3.92 0.00 3.02 -1.26 -4.63 115.26 105.91 2b8a n ASN 43 Ca 0.00 -0.53 -0.10 0.00 -0.03 0.00 0.00 54.58 53.91 2b8a n ASN 43 Cb 0.00 -0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.53 0.21 0.33 3.52 1.02 -1.26 -4.75 119.74 116.28 2b8a s LYS 44 Ca 0.27 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.93 2b8a s LYS 44 Cb 0.20 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 2b8a s LYS 44 CO 0.49 -0.04 0.54 0.71 -0.92 0.00 0.00 175.35 176.13 2b8a s TYR 45 N -0.85 3.50 -0.42 3.18 1.51 -0.13 -4.71 117.35 119.44 2b8a s TYR 45 Ca -0.09 0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 56.21 2b8a s TYR 45 Cb -0.06 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 2b8a s TYR 45 CO -0.00 0.15 0.35 -1.14 -1.11 0.00 0.00 175.55 173.80 2b8a s GLN 46 N -4.12 3.01 -0.05 -0.62 0.74 -1.02 -1.93 119.66 115.68 2b8a s GLN 46 Ca 0.40 -0.94 -0.02 0.00 0.05 0.00 0.00 55.36 54.85 2b8a s GLN 46 Cb -0.10 -3.98 -0.04 0.00 1.10 0.00 0.00 33.01 29.99 2b8a s GLN 46 CO 0.35 -0.80 0.07 0.08 -0.55 0.00 0.00 175.29 174.44 2b8a s VAL 47 N 1.84 4.77 -0.22 1.34 1.01 -0.57 -2.14 120.40 126.42 2b8a s VAL 47 Ca 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 2b8a s VAL 47 Cb -0.18 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2b8a s VAL 47 CO 0.11 0.47 0.04 0.12 0.00 0.00 0.00 175.10 175.83 2b8a s PHE 48 N -1.09 3.08 -0.40 5.22 5.36 -0.80 -2.51 117.98 126.84 2b8a s PHE 48 Ca 0.19 -0.39 -0.18 0.00 -0.96 0.00 0.00 56.93 55.59 2b8a s PHE 48 Cb -0.12 -2.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 2b8a s PHE 48 CO 0.09 -0.25 0.49 -0.06 -1.46 0.00 0.00 175.22 174.03 2b8a s PHE 49 N 1.21 3.15 1.45 10.12 0.08 0.90 -2.29 117.98 132.61 2b8a s PHE 49 Ca 0.04 -0.14 -0.23 0.00 0.12 0.00 0.00 56.93 56.72 2b8a s PHE 49 Cb -0.14 -2.98 0.37 0.00 -0.57 0.00 0.00 43.02 39.70 2b8a s PHE 49 CO 0.02 -0.68 0.91 -0.06 -0.10 0.00 0.00 175.22 175.32 2b8a s PHE 50 N 2.34 -0.77 0.00 0.36 0.08 -1.01 0.97 117.98 119.96 2b8a s PHE 50 Ca 0.16 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.79 2b8a s PHE 50 Cb -0.16 -2.84 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 2b8a s PHE 50 CO 0.15 -5.12 0.00 0.41 -0.10 0.00 0.00 175.22 170.56 2b8a n GLY 51 N 1.60 0.75 0.09 4.36 0.00 -1.25 -3.31 105.19 107.44 2b8a n GLY 51 Ca 0.13 -0.01 0.05 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 0.85 -3.21 2.61 -2.24 -1.24 -4.79 114.28 106.25 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 -0.50 0.05 0.00 -2.10 0.00 0.00 70.33 67.79 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 -2.74 -2.10 -3.34 4.78 -0.00 0.27 -5.00 115.22 107.10 2b8a n HIS 53 Ca -0.06 0.69 -0.29 0.00 -0.00 0.00 0.00 57.72 58.06 2b8a n HIS 53 Cb 0.71 -4.17 -0.03 0.00 -0.00 0.00 0.00 29.99 26.49 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 -5.87 3.65 0.01 -0.41 2.02 -0.79 -4.76 118.70 112.55 2b8a s GLU 54 Ca 0.40 0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.50 2b8a s GLU 54 Cb -0.18 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 2b8a s GLU 54 CO 0.49 0.22 -0.22 0.95 0.02 0.00 0.00 175.26 176.72 2b8a s THR 55 N -2.06 1.78 0.23 3.63 -4.23 -1.26 -0.07 115.64 113.65 2b8a s THR 55 Ca 0.44 -1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 59.72 2b8a s THR 55 Cb -0.11 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.25 2b8a s THR 55 CO 0.29 0.41 0.55 0.00 -0.54 0.00 0.00 174.62 175.33 2b8a s ALA 56 N -0.62 -0.80 -0.20 3.99 0.00 -1.04 -5.02 121.76 118.06 2b8a s ALA 56 Ca 0.09 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 2b8a s ALA 56 Cb -0.09 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 2b8a s ALA 56 CO 0.00 -0.86 0.01 -0.06 0.00 0.00 0.00 175.76 174.85 2b8a s PHE 57 N -3.92 3.06 0.08 0.00 0.40 -1.26 -1.52 117.98 114.82 2b8a s PHE 57 Ca 0.13 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 2b8a s PHE 57 Cb -0.02 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 2b8a s PHE 57 CO 0.02 -0.20 0.00 -0.51 0.70 0.00 0.00 175.22 175.24 2b8a s LEU 58 N 0.93 2.20 0.57 -0.37 1.43 -0.81 -4.91 118.68 117.72 2b8a s LEU 58 Ca 0.01 -1.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 2b8a s LEU 58 Cb -0.14 0.23 0.04 0.00 0.03 0.00 0.00 46.19 46.35 2b8a s LEU 58 CO 0.02 -0.65 0.80 -0.83 0.23 0.00 0.00 176.35 175.92 2b8a s GLY 59 N -2.97 1.82 0.53 -3.19 0.00 -1.26 -0.95 107.32 101.29 2b8a s GLY 59 Ca 0.14 -1.32 0.34 0.00 0.00 0.00 0.00 44.72 43.88 2b8a s GLY 59 CO -0.05 -1.02 2.03 -0.56 0.00 0.00 0.00 173.10 173.50 2b8a h PRO 60 N 0.00 0.00 0.00 2.90 0.13 -1.93 -2.46 132.00 130.64 2b8a h PRO 60 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 2b8a h PRO 60 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2b8a h PRO 60 CO 0.52 0.00 -0.33 1.57 -0.23 0.00 0.00 178.00 179.53 2b8a h LYS 61 N 0.00 0.00 -0.67 0.86 2.10 -1.96 -2.18 116.57 114.72 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 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2b8a h LYS 61 CO 0.00 0.33 0.00 -0.25 -2.00 0.00 0.00 179.45 177.53 2b8a n ASP 62 N -3.94 4.64 -4.52 7.07 8.00 -0.93 -4.91 116.55 121.97 2b8a n ASP 62 Ca -0.02 -2.39 -0.33 0.00 0.71 0.00 0.00 54.79 52.76 2b8a n ASP 62 Cb 0.39 -0.57 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.72 3.00 0.06 0.64 1.02 -0.82 -1.75 118.68 119.10 2b8a s LEU 63 Ca 0.51 -0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.55 2b8a s LEU 63 Cb 0.32 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.85 2b8a s LEU 63 CO 0.26 0.31 -0.06 -0.36 0.02 0.00 0.00 176.35 176.52 2b8a s PHE 64 N -0.50 0.63 -0.27 0.29 0.40 -0.71 -4.92 117.98 112.90 2b8a s PHE 64 Ca 0.07 -0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 55.36 2b8a s PHE 64 Cb -0.12 -0.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.99 2b8a s PHE 64 CO 0.02 -0.19 1.69 -2.14 0.70 0.00 0.00 175.22 175.31 2b8a s PRO 65 N -2.73 3.59 0.11 0.24 0.02 -1.26 -0.41 135.00 134.55 2b8a s PRO 65 Ca -0.01 1.54 -0.33 0.00 0.02 0.00 0.00 61.00 62.22 2b8a s PRO 65 Cb -0.02 -4.11 -0.13 0.00 0.02 0.00 0.00 34.50 30.27 2b8a s PRO 65 CO -0.04 -1.55 1.57 -0.92 -0.33 0.00 0.00 177.00 175.74 2b8a h TYR 66 N 11.67 -1.38 -0.92 6.54 3.20 -1.72 0.11 116.97 134.48 2b8a h TYR 66 Ca -0.34 0.03 0.21 0.00 3.14 0.00 0.00 58.73 61.77 2b8a h TYR 66 Cb 1.16 0.58 -0.12 0.00 1.54 0.00 0.00 36.73 39.90 2b8a h TYR 66 CO 0.93 -0.57 0.47 0.93 -1.64 0.00 0.00 178.16 178.28 2b8a h GLU 67 N -0.74 0.51 -0.29 1.82 5.08 -1.91 2.19 114.58 121.24 2b8a h GLU 67 Ca 0.00 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 2b8a h GLU 67 Cb 0.74 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2b8a h GLU 67 CO -0.25 0.34 -0.53 1.49 -1.00 0.00 0.00 179.01 179.06 2b8a h GLU 68 N 0.53 0.85 -0.51 2.33 4.22 -1.82 -3.26 114.58 116.91 2b8a h GLU 68 Ca 0.56 -0.53 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2b8a h GLU 68 Cb 0.99 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2b8a h GLU 68 CO -0.47 1.16 0.00 -1.13 -2.18 0.00 0.00 179.01 176.40 2b8a n SER 69 N -4.01 3.48 -0.18 1.04 3.41 -0.03 -4.59 113.62 112.74 2b8a n SER 69 Ca -0.04 -2.07 -0.03 0.00 -0.26 0.00 0.00 58.87 56.48 2b8a n SER 69 Cb 0.62 -0.36 0.07 0.00 -0.26 0.00 0.00 64.21 64.27 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 3.01 0.44 0.00 4.33 2.10 0.35 0.24 116.57 127.05 2b8a h LYS 70 Ca 0.00 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 2b8a h LYS 70 Cb 0.91 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 2b8a h LYS 70 CO 0.02 0.29 -0.25 0.93 -2.00 0.00 0.00 179.45 178.45 2b8a h GLU 71 N 0.45 0.00 0.08 0.07 4.39 -1.82 0.96 114.58 118.72 2b8a h GLU 71 Ca 0.25 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.75 2b8a h GLU 71 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2b8a h GLU 71 CO -0.22 0.25 -1.05 0.87 -1.16 0.00 0.00 179.01 177.70 2b8a h LYS 72 N 0.00 0.17 0.00 2.33 1.57 -1.56 -3.39 116.57 115.69 2b8a h LYS 72 Ca -0.00 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2b8a h LYS 72 Cb 0.69 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2b8a h LYS 72 CO 0.03 1.14 -0.95 1.19 -0.57 0.00 0.00 179.45 180.29 2b8a n PHE 73 N -4.16 0.00 -2.10 -1.35 3.72 0.74 -4.76 117.46 109.55 2b8a n PHE 73 Ca -0.22 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 2b8a n PHE 73 Cb 0.78 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 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 1.45 3.71 3.29 1.37 0.00 0.33 -4.88 105.19 110.47 2b8a n GLY 74 Ca 0.03 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 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 3.47 0.89 0.26 1.61 1.02 -1.26 -4.84 119.74 120.88 2b8a s LYS 75 Ca 0.49 -0.46 -0.28 0.00 0.02 0.00 0.00 55.97 55.74 2b8a s LYS 75 Cb 0.10 0.39 -0.15 0.00 -0.52 0.00 0.00 37.83 37.65 2b8a s LYS 75 CO -0.02 -0.30 0.89 -2.30 -0.92 0.00 0.00 175.35 172.70 2b8a n PRO 76 N 0.46 0.97 -4.20 -1.68 -0.02 -1.26 -4.85 135.00 124.42 2b8a n PRO 76 Ca -0.18 0.34 -0.23 0.00 -2.02 0.00 0.00 63.50 61.41 2b8a n PRO 76 Cb 0.60 -1.62 -0.07 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.63 4.61 0.23 2.55 3.04 -1.26 -5.04 114.94 118.44 2b8a s ASN 77 Ca 0.61 -0.73 0.22 0.00 0.04 0.00 0.00 52.86 53.01 2b8a s ASN 77 Cb -0.78 -0.78 0.04 0.00 -1.54 0.00 0.00 41.25 38.20 2b8a s ASN 77 CO 0.58 -0.17 1.12 0.11 -3.04 0.00 0.00 177.10 175.71 2b8a h LYS 78 N 1.70 0.00 0.00 0.43 6.56 -2.04 -3.28 116.57 119.94 2b8a h LYS 78 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2b8a h LYS 78 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 2b8a h LYS 78 CO 0.62 0.02 0.00 0.54 -2.06 0.00 0.00 179.45 178.58 2b8a n ARG 79 N -2.76 0.14 -1.22 3.15 5.12 -1.26 -4.99 116.66 114.85 2b8a n ARG 79 Ca 0.00 0.39 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 2b8a n ARG 79 Cb 0.57 -1.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 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 -2.06 -3.28 0.00 5.56 4.76 -1.24 -4.80 118.16 117.11 2b8a n LYS 80 Ca 0.02 2.52 0.00 0.00 -2.87 0.00 0.00 58.31 57.98 2b8a n LYS 80 Cb 0.20 -3.06 0.00 0.00 -1.84 0.00 0.00 35.03 30.33 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 -1.99 3.15 0.19 0.72 0.00 -1.26 -4.88 105.19 101.12 2b8a n GLY 81 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.37 -0.54 1.61 3.04 -1.90 -2.77 116.94 116.02 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 0.15 -0.08 0.00 2.56 0.00 0.00 35.95 38.58 2b8a h PHE 82 CO 0.00 -0.22 0.09 0.77 -2.02 0.00 0.00 178.31 176.93 2b8a h SER 83 N -0.30 -0.04 -1.13 0.41 0.02 -1.89 0.10 113.55 110.72 2b8a h SER 83 Ca 0.01 0.10 0.32 0.00 -0.84 0.00 0.00 61.79 61.38 2b8a h SER 83 Cb 0.30 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 2b8a h SER 83 CO -0.06 0.00 0.78 -0.33 -1.14 0.00 0.00 176.83 176.08 2b8a h GLU 84 N 0.22 0.14 -0.01 3.45 5.08 -1.87 0.89 114.58 122.47 2b8a h GLU 84 Ca 0.27 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.45 2b8a h GLU 84 Cb 0.39 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2b8a h GLU 84 CO -0.37 0.09 -0.77 0.78 -1.00 0.00 0.00 179.01 177.73 2b8a h GLY 85 N 0.14 0.15 1.00 -3.84 0.00 -0.71 -3.03 103.07 96.78 2b8a h GLY 85 Ca 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2b8a h GLY 85 CO -0.12 0.21 0.39 1.41 0.00 0.00 0.00 176.54 178.43 2b8a h LEU 86 N 0.08 0.73 -0.52 3.11 3.38 0.11 -0.94 115.31 121.26 2b8a h LEU 86 Ca -0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2b8a h LEU 86 Cb 1.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2b8a h LEU 86 CO 0.11 0.55 0.16 -0.25 0.09 0.00 0.00 178.44 179.11 2b8a h TRP 87 N 0.83 0.84 0.16 1.13 7.01 -1.47 -3.07 115.95 121.38 2b8a h TRP 87 Ca 0.22 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 2b8a h TRP 87 Cb -0.05 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.77 2b8a h TRP 87 CO -0.02 0.72 -0.07 0.93 -2.79 0.00 0.00 178.44 177.20 2b8a h GLU 88 N 0.71 -0.20 -0.51 2.65 4.39 -1.35 0.91 114.58 121.18 2b8a h GLU 88 Ca 0.17 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.03 2b8a h GLU 88 Cb 0.28 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2b8a h GLU 88 CO -0.00 0.02 0.52 0.97 -1.16 0.00 0.00 179.01 179.35 2b8a h ILE 89 N -0.39 0.37 0.00 3.13 2.10 -1.18 1.06 117.51 122.60 2b8a h ILE 89 Ca -0.02 0.00 -0.40 0.00 1.08 0.00 0.00 64.86 65.52 2b8a h ILE 89 Cb 0.31 0.59 -0.06 0.00 -1.09 0.00 0.00 36.82 36.57 2b8a h ILE 89 CO 0.04 0.00 -2.40 -0.62 -1.08 0.00 0.00 178.15 174.08 2b8a n GLU 90 N -3.76 0.58 0.09 2.19 -0.58 -1.05 -4.19 120.64 113.92 2b8a n GLU 90 Ca 0.10 0.19 -0.12 0.00 -0.42 0.00 0.00 57.16 56.91 2b8a n GLU 90 Cb 0.72 -1.45 -0.12 0.00 -0.57 0.00 0.00 31.44 30.02 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 -0.43 0.24 -1.28 1.62 -0.26 0.12 -3.43 115.58 112.17 2b8a h ASN 91 Ca -0.59 -0.25 -0.16 0.00 -0.56 0.00 0.00 56.30 54.74 2b8a h ASN 91 Cb 1.71 -0.08 -0.22 0.00 -1.06 0.00 0.00 38.32 38.67 2b8a h ASN 91 CO -0.23 1.18 -0.53 0.21 -1.06 0.00 0.00 177.43 177.01 2b8a s ASN 92 N -6.96 -0.77 0.12 5.81 3.04 0.36 -5.00 114.94 111.55 2b8a s ASN 92 Ca -0.02 -1.12 0.26 0.00 0.04 0.00 0.00 52.86 52.02 2b8a s ASN 92 Cb 0.08 1.55 0.97 0.00 -1.54 0.00 0.00 41.25 42.31 2b8a s ASN 92 CO 0.85 -0.18 1.79 -0.81 -3.04 0.00 0.00 177.10 175.71 2b8a n PRO 93 N 4.22 0.13 -0.41 0.43 -0.04 -1.02 -3.10 135.00 135.20 2b8a n PRO 93 Ca 0.12 0.17 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 2b8a n PRO 93 Cb 0.54 -1.67 0.31 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.90 1.27 -1.91 0.52 -2.24 -1.26 -4.96 114.28 103.79 2b8a n THR 94 Ca 0.05 -1.08 -0.38 0.00 -2.27 0.00 0.00 64.05 60.37 2b8a n THR 94 Cb 0.35 0.38 0.03 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.28 2.35 0.30 2.28 0.11 -1.18 -5.04 120.40 117.95 2b8a s VAL 95 Ca 0.46 0.27 0.07 0.00 -2.93 0.00 0.00 61.98 59.85 2b8a s VAL 95 Cb 0.26 -3.13 -0.06 0.00 -1.53 0.00 0.00 36.38 31.91 2b8a s VAL 95 CO 0.28 -0.00 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.44 2b8a s LYS 96 N -2.85 1.64 -0.88 1.54 1.02 -1.26 -5.10 119.74 113.86 2b8a s LYS 96 Ca 0.69 -1.84 -0.06 0.00 0.02 0.00 0.00 55.97 54.78 2b8a s LYS 96 Cb -0.37 -1.33 0.22 0.00 -0.52 0.00 0.00 37.83 35.83 2b8a s LYS 96 CO 0.44 0.07 0.79 0.00 -0.92 0.00 0.00 175.35 175.72 2b8a s ALA 97 N -2.89 4.19 -0.19 5.17 0.00 -1.26 -5.02 121.76 121.77 2b8a s ALA 97 Ca 0.31 -3.62 0.01 0.00 0.00 0.00 0.00 51.96 48.66 2b8a s ALA 97 Cb 0.03 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 20.07 2b8a s ALA 97 CO 0.13 -2.18 -0.14 0.45 0.00 0.00 0.00 175.76 174.02 2b8a s SER 98 N 0.86 3.31 0.00 0.00 0.15 -1.26 -4.77 113.70 111.99 2b8a s SER 98 Ca 0.24 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2b8a s SER 98 Cb -0.11 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2b8a s SER 98 CO -0.09 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2b8a n GLY 99 N 4.65 0.96 3.35 9.45 0.00 -1.26 -5.07 105.19 117.26 2b8a n GLY 99 Ca -0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.39 2b8a n GLY 99 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2b8a s TYR 100 N -1.53 4.06 -0.13 1.61 1.13 -1.26 -4.71 117.35 116.52 2b8a s TYR 100 Ca 0.00 -2.42 0.07 0.00 -1.41 0.00 0.00 57.07 53.31 2b8a s TYR 100 Cb 0.00 -3.87 -0.13 0.00 -1.10 0.00 0.00 41.96 36.86 2b8a s TYR 100 CO 0.00 -1.00 -0.02 0.00 -2.51 0.00 0.00 175.55 172.02 2b8a n GLN 101 N 3.32 1.47 -4.03 -3.49 10.64 -1.26 -4.99 117.38 119.04 2b8a n GLN 101 Ca 0.21 0.03 -0.36 0.00 -1.83 0.00 0.00 57.00 55.05 2b8a n GLN 101 Cb 0.42 -1.31 -0.07 0.00 -0.86 0.00 0.00 30.24 28.42 2b8a n GLN 101 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2b8a s SER 102 N -4.82 5.99 -0.29 2.61 0.15 -1.26 -5.09 113.70 110.99 2b8a s SER 102 Ca -0.11 0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2b8a s SER 102 Cb 0.04 -1.88 0.11 0.00 -1.71 0.00 0.00 66.02 62.58 2b8a s SER 102 CO 0.44 0.38 0.68 -0.44 1.20 0.00 0.00 173.24 175.50 2b8a s SER 103 N -0.85 -1.05 -0.18 5.45 0.01 -1.26 -5.07 113.70 110.74 2b8a s SER 103 Ca 0.14 1.53 -0.12 0.00 1.31 0.00 0.00 55.95 58.80 2b8a s SER 103 Cb -0.12 1.95 0.05 0.00 0.21 0.00 0.00 66.02 68.11 2b8a s SER 103 CO 0.03 -0.22 0.24 1.67 0.41 0.00 0.00 173.24 175.37 2b8a n GLN 104 N 5.01 -4.43 0.18 12.44 -0.06 -1.26 -4.85 117.38 124.40 2b8a n GLN 104 Ca -0.15 3.35 0.05 0.00 -2.00 0.00 0.00 57.00 58.25 2b8a n GLN 104 Cb 0.53 -4.94 0.49 0.00 -4.06 0.00 0.00 30.24 22.26 2b8a n GLN 104 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2b8a h LYS 105 N 3.91 0.13 -6.77 3.69 1.63 -2.05 -3.43 116.57 113.68 2b8a h LYS 105 Ca -0.54 -0.02 -0.44 0.00 -0.85 0.00 0.00 60.65 58.80 2b8a h LYS 105 Cb 1.22 -0.02 0.04 0.00 -0.60 0.00 0.00 32.23 32.88 2b8a h LYS 105 CO 0.01 0.22 -0.07 -1.59 -3.45 0.00 0.00 179.45 174.57 2b8a s LYS 106 N -4.85 2.46 -0.38 1.90 0.00 -1.26 -4.80 119.74 112.80 2b8a s LYS 106 Ca -0.05 -1.02 -0.11 0.00 0.00 0.00 0.00 55.97 54.79 2b8a s LYS 106 Cb 0.16 -2.54 0.01 0.00 0.00 0.00 0.00 37.83 35.46 2b8a s LYS 106 CO 0.71 -0.73 0.41 0.45 0.00 0.00 0.00 175.35 176.18 2b8a n SER 107 N -2.29 -7.82 0.14 0.03 2.88 -1.26 -5.01 113.62 100.29 2b8a n SER 107 Ca 0.10 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 2b8a n SER 107 Cb 0.60 -5.27 0.00 0.00 -0.75 0.00 0.00 64.21 58.79 2b8a n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b8a n ALA 109 N -3.28 2.44 -0.37 0.00 0.00 -1.26 -5.29 120.51 112.75 2b8a n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2b8a n ALA 109 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2b8a n ALA 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59