#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 3.10 -4.81 6.12 2.88 -1.26 -5.00 113.62 114.65 2b8a n SER 2 Ca 0.00 -3.80 -0.37 0.00 -1.33 0.00 0.00 58.87 53.38 2b8a n SER 2 Cb 0.00 -0.62 -0.07 0.00 -0.75 0.00 0.00 64.21 62.77 2b8a n SER 2 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2b8a s ARG 3 N -3.34 3.87 -0.12 -1.46 0.52 -1.26 -5.06 118.95 112.10 2b8a s ARG 3 Ca 0.47 0.01 -0.30 0.00 -0.52 0.00 0.00 55.73 55.39 2b8a s ARG 3 Cb 0.42 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 2b8a s ARG 3 CO -0.00 0.54 1.20 -1.54 0.02 0.00 0.00 175.30 175.52 2b8a s SER 4 N -0.42 7.03 -0.27 0.23 1.04 -1.26 -5.00 113.70 115.04 2b8a s SER 4 Ca 0.16 1.71 -0.24 0.00 0.48 0.00 0.00 55.95 58.06 2b8a s SER 4 Cb -0.13 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.52 2b8a s SER 4 CO 0.05 -0.65 0.73 0.21 0.98 0.00 0.00 173.24 174.55 2b8a s ASN 5 N 1.63 -0.76 -0.04 7.02 3.84 -1.26 -5.05 114.94 120.31 2b8a s ASN 5 Ca 0.54 1.44 0.18 0.00 0.21 0.00 0.00 52.86 55.22 2b8a s ASN 5 Cb -0.22 1.44 0.31 0.00 -0.55 0.00 0.00 41.25 42.23 2b8a s ASN 5 CO 0.17 -0.25 1.13 -2.11 -2.79 0.00 0.00 177.10 173.26 2b8a n ARG 6 N 2.88 0.23 -5.14 0.43 1.85 -1.26 -5.09 116.66 110.56 2b8a n ARG 6 Ca -0.15 -1.82 -0.30 0.00 -1.00 0.00 0.00 57.85 54.59 2b8a n ARG 6 Cb 0.56 0.01 -0.16 0.00 -1.05 0.00 0.00 32.46 31.81 2b8a n ARG 6 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2b8a s GLN 7 N -0.35 2.38 0.00 2.89 -0.21 -1.26 -5.11 119.66 118.00 2b8a s GLN 7 Ca 0.22 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.79 2b8a s GLN 7 Cb 0.27 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 32.28 2b8a s GLN 7 CO -0.11 0.32 0.00 1.17 -2.12 0.00 0.00 175.29 174.55 2b8a n LYS 8 N 3.08 0.00 0.00 2.91 4.81 -1.26 -5.15 118.16 122.55 2b8a n LYS 8 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2b8a n LYS 8 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 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 0.00 0.00 -4.45 1.64 -0.58 -1.26 -5.10 120.64 110.89 2b8a n GLU 9 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 2b8a n GLU 9 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 2b8a n GLU 9 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2b8a s TYR 10 N -1.31 2.00 0.14 -0.32 1.51 -1.26 -5.17 117.35 112.95 2b8a s TYR 10 Ca 0.00 -0.77 -0.02 0.00 -1.01 0.00 0.00 57.07 55.27 2b8a s TYR 10 Cb 0.00 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 2b8a s TYR 10 CO 0.00 0.21 0.08 0.15 -1.11 0.00 0.00 175.55 174.88 2b8a s LYS 11 N -3.78 0.98 -0.01 -0.62 -0.14 -1.26 -5.08 119.74 109.83 2b8a s LYS 11 Ca 0.32 -1.44 -0.36 0.00 -1.36 0.00 0.00 55.97 53.13 2b8a s LYS 11 Cb 0.06 0.26 -0.14 0.00 -1.68 0.00 0.00 37.83 36.32 2b8a s LYS 11 CO 0.13 -0.29 1.63 0.00 -0.76 0.00 0.00 175.35 176.07 2b8a n GLY 13 N 3.62 2.16 3.76 0.00 0.00 -0.20 -4.97 105.19 109.55 2b8a n GLY 13 Ca 0.21 0.00 -0.41 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 -1.50 6.98 -0.25 1.61 2.15 -0.45 -4.71 116.67 120.50 2b8a s ASP 14 Ca 0.00 2.48 -0.19 0.00 0.43 0.00 0.00 52.55 55.27 2b8a s ASP 14 Cb 0.00 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.96 2b8a s ASP 14 CO 0.00 -0.39 0.55 -0.76 -0.17 0.00 0.00 175.17 174.40 2b8a s LEU 15 N -1.35 4.07 0.26 -1.34 1.43 -1.26 -0.94 118.68 119.56 2b8a s LEU 15 Ca 0.49 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 2b8a s LEU 15 Cb -0.36 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 2b8a s LEU 15 CO 0.46 -0.29 0.24 0.68 0.23 0.00 0.00 176.35 177.67 2b8a s VAL 16 N 2.25 0.00 -0.09 -1.59 -7.23 0.10 -2.96 120.40 110.88 2b8a s VAL 16 Ca 0.23 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 2b8a s VAL 16 Cb -0.16 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2b8a s VAL 16 CO 0.09 0.00 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.42 2b8a s PHE 17 N -3.79 2.86 -0.17 2.82 0.08 0.56 -0.70 117.98 119.63 2b8a s PHE 17 Ca 0.38 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 57.19 2b8a s PHE 17 Cb 0.04 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 2b8a s PHE 17 CO 0.18 0.12 -0.08 0.00 -0.10 0.00 0.00 175.22 175.34 2b8a s ALA 18 N -0.37 2.75 -0.07 5.36 0.00 -1.06 -1.41 121.76 126.97 2b8a s ALA 18 Ca 0.05 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.82 2b8a s ALA 18 Cb -0.12 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 2b8a s ALA 18 CO 0.02 -0.06 0.52 0.21 0.00 0.00 0.00 175.76 176.45 2b8a s LYS 19 N 0.85 4.29 0.12 0.00 2.47 -0.73 -2.02 119.74 124.72 2b8a s LYS 19 Ca -0.02 0.55 0.06 0.00 -1.56 0.00 0.00 55.97 55.00 2b8a s LYS 19 Cb -0.15 -3.39 -0.04 0.00 -1.46 0.00 0.00 37.83 32.80 2b8a s LYS 19 CO 0.01 0.27 -0.13 -1.64 0.16 0.00 0.00 175.35 174.02 2b8a s MET 20 N 0.21 1.01 -0.09 4.03 -1.94 -1.23 -4.93 119.30 116.36 2b8a s MET 20 Ca 0.28 -1.24 -0.30 0.00 -1.71 0.00 0.00 55.69 52.72 2b8a s MET 20 Cb -0.16 -0.86 -0.05 0.00 2.01 0.00 0.00 34.83 35.78 2b8a s MET 20 CO 0.13 0.16 1.58 0.21 -0.01 0.00 0.00 175.02 177.09 2b8a s LYS 21 N -2.74 4.16 0.00 2.03 2.36 -1.26 -2.20 119.74 122.09 2b8a s LYS 21 Ca 0.09 2.05 0.00 0.00 -2.55 0.00 0.00 55.97 55.56 2b8a s LYS 21 Cb -0.04 -3.95 0.00 0.00 -1.05 0.00 0.00 37.83 32.79 2b8a s LYS 21 CO 0.03 -0.85 0.00 0.41 1.55 0.00 0.00 175.35 176.48 2b8a n GLY 22 N 4.07 2.01 3.27 5.54 0.00 -1.26 -5.02 105.19 113.79 2b8a n GLY 22 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.35 1.74 0.73 1.61 2.02 -0.93 -5.09 117.35 115.08 2b8a s TYR 23 Ca 0.00 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.19 2b8a s TYR 23 Cb 0.00 -0.97 0.05 0.00 -0.40 0.00 0.00 41.96 40.64 2b8a s TYR 23 CO 0.00 0.18 1.08 -1.25 -1.57 0.00 0.00 175.55 173.98 2b8a s PRO 24 N -1.78 2.38 -0.38 -1.71 0.04 -1.26 -3.50 135.00 128.78 2b8a s PRO 24 Ca 0.06 0.09 -0.39 0.00 0.04 0.00 0.00 61.00 60.80 2b8a s PRO 24 Cb -0.10 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 2b8a s PRO 24 CO 0.04 -1.24 2.07 0.72 0.04 0.00 0.00 177.00 178.62 2b8a n HIS 25 N -3.04 1.59 -3.62 0.56 8.25 -1.26 -4.62 115.22 113.07 2b8a n HIS 25 Ca 0.07 0.48 -0.36 0.00 -0.26 0.00 0.00 57.72 57.66 2b8a n HIS 25 Cb 0.59 -2.45 -0.07 0.00 1.12 0.00 0.00 29.99 29.18 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 6.07 3.45 -0.12 4.41 -0.11 -0.86 -4.84 118.94 126.93 2b8a s TRP 26 Ca 1.10 0.49 -0.35 0.00 1.22 0.00 0.00 56.10 58.56 2b8a s TRP 26 Cb -1.09 -2.26 -0.12 0.00 -1.50 0.00 0.00 33.47 28.51 2b8a s TRP 26 CO 0.58 0.28 1.89 -0.35 -4.62 0.00 0.00 176.95 174.73 2b8a n PRO 27 N 3.48 2.04 -4.15 5.86 -0.04 -1.26 -2.56 135.00 138.36 2b8a n PRO 27 Ca -0.14 0.74 -0.15 0.00 -0.04 0.00 0.00 63.50 63.92 2b8a n PRO 27 Cb 0.52 -2.60 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 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 4.29 1.01 0.05 0.55 0.00 0.12 -2.43 121.76 125.35 2b8a s ALA 28 Ca 0.94 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 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 0.53 -0.72 0.05 0.50 0.00 0.00 0.00 175.76 176.12 2b8a s ARG 29 N -3.54 0.61 0.21 0.00 3.52 -0.95 -0.72 118.95 118.08 2b8a s ARG 29 Ca 0.34 -0.95 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 2b8a s ARG 29 Cb 0.02 0.23 -0.08 0.00 -1.56 0.00 0.00 34.95 33.56 2b8a s ARG 29 CO 0.19 -0.14 0.94 0.42 -0.81 0.00 0.00 175.30 175.89 2b8a s ILE 30 N -3.20 4.17 0.00 4.11 -1.09 -0.11 -1.66 121.20 123.42 2b8a s ILE 30 Ca 0.00 2.07 0.00 0.00 -2.23 0.00 0.00 60.65 60.50 2b8a s ILE 30 Cb 0.02 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 2b8a s ILE 30 CO -0.07 0.46 0.00 -0.67 -1.23 0.00 0.00 174.94 173.43 2b8a n ASP 31 N 1.77 3.64 -3.52 3.58 2.03 -0.93 -1.04 116.55 122.08 2b8a n ASP 31 Ca -0.01 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.16 2b8a n ASP 31 Cb 0.48 0.71 -0.05 0.00 -0.72 0.00 0.00 41.12 41.54 2b8a n ASP 31 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2b8a s GLU 32 N -1.46 0.92 0.40 -0.67 2.56 -1.24 -4.91 118.70 114.30 2b8a s GLU 32 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.97 54.99 2b8a s GLU 32 Cb 0.00 0.43 -0.04 0.00 2.00 0.00 0.00 34.13 36.52 2b8a s GLU 32 CO 0.00 -0.32 0.66 -1.64 -0.56 0.00 0.00 175.26 173.40 2b8a s MET 33 N -1.78 3.54 -0.45 4.30 -1.94 -1.26 -3.25 119.30 118.47 2b8a s MET 33 Ca -0.05 -0.02 -0.28 0.00 -1.71 0.00 0.00 55.69 53.64 2b8a s MET 33 Cb -0.00 -2.52 0.03 0.00 2.01 0.00 0.00 34.83 34.34 2b8a s MET 33 CO 0.02 -0.01 1.05 -1.25 -0.01 0.00 0.00 175.02 174.82 2b8a s PRO 34 N -4.40 3.71 0.00 2.03 0.04 -1.26 -4.86 135.00 130.26 2b8a s PRO 34 Ca 0.44 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2b8a s PRO 34 Cb -0.10 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2b8a s PRO 34 CO 0.39 -1.25 0.01 0.39 0.04 0.00 0.00 177.00 176.58 2b8a n GLU 35 N 7.45 0.00 0.04 4.56 1.02 -1.26 -4.94 120.64 127.51 2b8a n GLU 35 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2b8a n GLU 35 Cb 0.49 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 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 -2.81 0.00 -2.70 0.62 0.00 -1.26 -4.87 120.51 109.49 2b8a n ALA 36 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2b8a n ALA 36 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.60 -3.01 -1.22 0.00 0.00 -1.26 -3.54 120.51 108.89 2b8a n ALA 37 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2b8a n ALA 37 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 16.87 2b8a n ALA 37 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2b8a n VAL 38 N 2.55 0.00 0.14 0.00 0.24 -1.26 -4.99 118.33 115.01 2b8a n VAL 38 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 2b8a n VAL 38 Cb 0.62 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 2b8a n VAL 38 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2b8a n LYS 39 N 0.00 0.00 0.00 7.34 2.85 -1.26 -5.03 118.16 122.06 2b8a n LYS 39 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2b8a n LYS 39 Cb 0.51 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 2b8a n LYS 39 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2b8a n SER 40 N -3.13 0.00 -3.65 -5.58 7.64 -1.26 -5.17 113.62 102.46 2b8a n SER 40 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2b8a n SER 40 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2b8a n SER 40 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2b8a n THR 41 N 0.00 0.00 0.00 0.44 5.66 -1.26 -5.03 114.28 114.09 2b8a n THR 41 Ca 0.00 -2.18 0.00 0.00 -3.05 0.00 0.00 64.05 58.82 2b8a n THR 41 Cb 0.00 0.79 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 2b8a n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2b8a n ALA 42 N -1.22 0.00 -2.43 1.79 0.00 -1.23 -4.02 120.51 113.39 2b8a n ALA 42 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 2b8a n ALA 42 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 2b8a n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2b8a n ASN 43 N -1.63 -0.72 -4.01 0.00 5.15 -1.26 -4.60 115.26 108.20 2b8a n ASN 43 Ca 0.00 -2.10 -0.13 0.00 -0.60 0.00 0.00 54.58 51.76 2b8a n ASN 43 Cb 0.00 0.32 -0.12 0.00 -0.53 0.00 0.00 39.78 39.45 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2b8a s LYS 44 N -0.38 0.41 0.29 1.20 1.02 -1.26 -4.75 119.74 116.27 2b8a s LYS 44 Ca 0.10 -0.54 -0.04 0.00 0.02 0.00 0.00 55.97 55.51 2b8a s LYS 44 Cb 0.27 -0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2b8a s LYS 44 CO -0.08 0.04 0.55 0.71 -0.92 0.00 0.00 175.35 175.65 2b8a s TYR 45 N -1.01 3.48 -0.48 3.18 1.51 0.17 -4.19 117.35 120.01 2b8a s TYR 45 Ca -0.08 0.61 -0.18 0.00 -1.01 0.00 0.00 57.07 56.42 2b8a s TYR 45 Cb -0.07 -2.08 0.05 0.00 -0.11 0.00 0.00 41.96 39.74 2b8a s TYR 45 CO -0.00 0.17 0.52 -1.14 -1.11 0.00 0.00 175.55 173.99 2b8a s GLN 46 N -3.61 3.08 -0.06 -0.62 0.74 -1.20 -1.00 119.66 116.99 2b8a s GLN 46 Ca 0.43 -0.98 -0.04 0.00 0.05 0.00 0.00 55.36 54.83 2b8a s GLN 46 Cb -0.11 -4.07 -0.04 0.00 1.10 0.00 0.00 33.01 29.89 2b8a s GLN 46 CO 0.30 -1.08 0.13 0.08 -0.55 0.00 0.00 175.29 174.18 2b8a s VAL 47 N 2.24 5.22 -0.25 1.34 1.01 -0.19 -2.19 120.40 127.58 2b8a s VAL 47 Ca 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 2b8a s VAL 47 Cb -0.20 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2b8a s VAL 47 CO 0.11 0.48 0.08 0.12 0.00 0.00 0.00 175.10 175.89 2b8a s PHE 48 N -1.14 3.11 -0.41 5.22 5.36 -0.66 -2.46 117.98 127.00 2b8a s PHE 48 Ca 0.20 -0.31 -0.19 0.00 -0.96 0.00 0.00 56.93 55.68 2b8a s PHE 48 Cb -0.12 -2.24 0.02 0.00 -0.34 0.00 0.00 43.02 40.33 2b8a s PHE 48 CO 0.10 -0.29 0.53 -0.06 -1.46 0.00 0.00 175.22 174.05 2b8a s PHE 49 N 1.53 3.13 1.41 10.12 0.08 0.99 -2.24 117.98 133.00 2b8a s PHE 49 Ca 0.06 -0.11 -0.22 0.00 0.12 0.00 0.00 56.93 56.78 2b8a s PHE 49 Cb -0.15 -3.07 0.36 0.00 -0.57 0.00 0.00 43.02 39.59 2b8a s PHE 49 CO 0.04 -0.72 0.93 -0.06 -0.10 0.00 0.00 175.22 175.31 2b8a s PHE 50 N 2.46 -0.48 0.00 0.36 0.08 -1.02 0.13 117.98 119.51 2b8a s PHE 50 Ca 0.18 0.66 0.00 0.00 0.12 0.00 0.00 56.93 57.89 2b8a s PHE 50 Cb -0.15 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 2b8a s PHE 50 CO 0.16 -4.96 0.00 0.41 -0.10 0.00 0.00 175.22 170.72 2b8a n GLY 51 N 1.52 0.82 0.09 4.36 0.00 -1.26 -3.38 105.19 107.34 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 0.84 -3.14 2.61 -2.24 -1.24 -4.80 114.28 106.32 2b8a n THR 52 Ca 0.00 -0.63 -0.19 0.00 -2.27 0.00 0.00 64.05 60.97 2b8a n THR 52 Cb 0.00 -0.48 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 -2.72 -1.98 -3.27 4.78 -0.00 0.34 -5.00 115.22 107.38 2b8a n HIS 53 Ca -0.07 0.63 -0.29 0.00 -0.00 0.00 0.00 57.72 57.98 2b8a n HIS 53 Cb 0.72 -4.06 -0.03 0.00 -0.00 0.00 0.00 29.99 26.61 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 -5.78 3.68 0.04 -0.41 2.02 -0.79 -4.80 118.70 112.66 2b8a s GLU 54 Ca 0.36 0.13 0.08 0.00 0.02 0.00 0.00 54.97 55.56 2b8a s GLU 54 Cb -0.16 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 2b8a s GLU 54 CO 0.45 0.19 -0.24 0.95 0.02 0.00 0.00 175.26 176.63 2b8a s THR 55 N -2.09 1.94 0.19 3.63 -4.23 -1.26 -0.01 115.64 113.81 2b8a s THR 55 Ca 0.46 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.52 2b8a s THR 55 Cb -0.11 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.10 2b8a s THR 55 CO 0.29 0.32 0.50 0.00 -0.54 0.00 0.00 174.62 175.19 2b8a s ALA 56 N -0.78 -0.85 -0.76 3.99 0.00 -1.03 -5.01 121.76 117.32 2b8a s ALA 56 Ca 0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 2b8a s ALA 56 Cb -0.09 0.85 0.20 0.00 0.00 0.00 0.00 23.12 24.08 2b8a s ALA 56 CO 0.02 -0.79 0.64 -0.06 0.00 0.00 0.00 175.76 175.56 2b8a s PHE 57 N -3.88 3.64 0.23 0.00 0.40 -1.25 -1.02 117.98 116.09 2b8a s PHE 57 Ca 0.10 -2.57 0.04 0.00 -0.60 0.00 0.00 56.93 53.89 2b8a s PHE 57 Cb -0.01 -3.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.07 2b8a s PHE 57 CO -0.02 -0.87 0.37 -0.51 0.70 0.00 0.00 175.22 174.88 2b8a s LEU 58 N -0.32 4.29 0.58 -0.37 1.43 -0.17 -4.66 118.68 119.45 2b8a s LEU 58 Ca 0.20 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 2b8a s LEU 58 Cb -0.14 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 43.19 2b8a s LEU 58 CO -0.07 -0.07 0.82 -0.83 0.23 0.00 0.00 176.35 176.43 2b8a s GLY 59 N -3.79 1.81 0.54 -3.19 0.00 -1.26 0.42 107.32 101.85 2b8a s GLY 59 Ca 0.35 -1.43 0.31 0.00 0.00 0.00 0.00 44.72 43.95 2b8a s GLY 59 CO 0.30 -1.09 2.05 -0.56 0.00 0.00 0.00 173.10 173.79 2b8a h PRO 60 N -0.04 0.00 0.00 2.90 0.13 -1.94 -2.41 132.00 130.64 2b8a h PRO 60 Ca -0.40 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 2b8a h PRO 60 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2b8a h PRO 60 CO 0.49 0.09 -0.28 1.57 -0.23 0.00 0.00 178.00 179.64 2b8a h LYS 61 N 0.00 0.00 -0.67 0.86 2.10 -1.99 -2.20 116.57 114.67 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 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2b8a h LYS 61 CO 0.01 0.28 0.00 -0.25 -2.00 0.00 0.00 179.45 177.50 2b8a n ASP 62 N -3.80 4.81 -4.57 7.07 9.92 -0.91 -4.92 116.55 124.16 2b8a n ASP 62 Ca -0.01 -2.43 -0.34 0.00 -0.53 0.00 0.00 54.79 51.48 2b8a n ASP 62 Cb 0.38 -0.59 -0.11 0.00 -0.64 0.00 0.00 41.12 40.16 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 -1.81 3.25 0.08 0.64 1.02 -0.83 -1.77 118.68 119.27 2b8a s LEU 63 Ca 0.52 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.66 2b8a s LEU 63 Cb 0.33 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.77 2b8a s LEU 63 CO 0.26 0.31 -0.07 -0.36 0.02 0.00 0.00 176.35 176.52 2b8a s PHE 64 N -0.51 0.81 -0.32 0.29 0.40 -0.50 -4.91 117.98 113.25 2b8a s PHE 64 Ca 0.08 -0.84 -0.29 0.00 -0.60 0.00 0.00 56.93 55.28 2b8a s PHE 64 Cb -0.12 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 2b8a s PHE 64 CO 0.02 -0.15 1.58 -2.14 0.70 0.00 0.00 175.22 175.22 2b8a s PRO 65 N -3.35 3.61 0.11 0.24 0.02 -1.26 -0.32 135.00 134.04 2b8a s PRO 65 Ca 0.07 1.34 -0.33 0.00 0.02 0.00 0.00 61.00 62.10 2b8a s PRO 65 Cb 0.02 -4.06 -0.12 0.00 0.02 0.00 0.00 34.50 30.36 2b8a s PRO 65 CO -0.04 -1.52 1.57 -0.92 -0.33 0.00 0.00 177.00 175.76 2b8a h TYR 66 N 11.18 -1.40 -0.99 6.54 3.20 -1.82 0.18 116.97 133.86 2b8a h TYR 66 Ca -0.31 0.04 0.20 0.00 3.14 0.00 0.00 58.73 61.80 2b8a h TYR 66 Cb 1.14 0.60 -0.11 0.00 1.54 0.00 0.00 36.73 39.90 2b8a h TYR 66 CO 0.94 -0.56 0.59 0.93 -1.64 0.00 0.00 178.16 178.41 2b8a h GLU 67 N -0.70 0.67 -0.27 1.82 5.08 -1.91 2.47 114.58 121.74 2b8a h GLU 67 Ca 0.01 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 2b8a h GLU 67 Cb 0.73 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2b8a h GLU 67 CO -0.29 0.44 -0.59 1.49 -1.00 0.00 0.00 179.01 179.06 2b8a h GLU 68 N 0.69 0.87 -0.51 2.33 4.81 -1.76 -3.27 114.58 117.74 2b8a h GLU 68 Ca 0.59 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2b8a h GLU 68 Cb 0.98 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2b8a h GLU 68 CO -0.41 1.21 0.00 -1.13 -0.73 0.00 0.00 179.01 177.95 2b8a n SER 69 N -3.99 3.38 -0.11 1.04 3.41 0.55 -4.59 113.62 113.30 2b8a n SER 69 Ca -0.05 -1.99 -0.06 0.00 -0.26 0.00 0.00 58.87 56.52 2b8a n SER 69 Cb 0.65 -0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 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 3.12 0.27 0.00 4.33 2.10 0.41 0.32 116.57 127.13 2b8a h LYS 70 Ca 0.00 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 2b8a h LYS 70 Cb 0.85 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 2b8a h LYS 70 CO 0.00 0.18 -0.17 1.05 -2.00 0.00 0.00 179.45 178.51 2b8a h GLU 71 N 0.28 0.00 0.05 0.07 4.11 -1.81 0.94 114.58 118.22 2b8a h GLU 71 Ca 0.18 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.42 2b8a h GLU 71 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2b8a h GLU 71 CO -0.18 0.17 -0.94 0.87 0.07 0.00 0.00 179.01 179.00 2b8a h LYS 72 N 0.00 0.11 -0.17 1.06 1.57 -1.58 -3.40 116.57 114.17 2b8a h LYS 72 Ca -0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2b8a h LYS 72 Cb 0.64 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2b8a h LYS 72 CO 0.02 1.09 0.00 1.19 -0.57 0.00 0.00 179.45 181.18 2b8a n PHE 73 N -4.28 0.21 0.93 -1.35 3.72 0.10 -4.55 117.46 112.24 2b8a n PHE 73 Ca -0.22 -0.19 0.02 0.00 -0.05 0.00 0.00 57.45 57.01 2b8a n PHE 73 Cb 0.71 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.32 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 0.74 1.11 3.93 1.37 0.00 0.33 -4.87 105.19 107.80 2b8a n GLY 74 Ca 0.10 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.49 3.53 0.89 1.61 1.02 -1.26 -4.98 119.74 119.06 2b8a s LYS 75 Ca 0.10 -0.24 -0.13 0.00 0.02 0.00 0.00 55.97 55.72 2b8a s LYS 75 Cb 0.07 -2.68 0.05 0.00 -0.52 0.00 0.00 37.83 34.75 2b8a s LYS 75 CO 0.04 0.19 0.66 -2.30 -0.92 0.00 0.00 175.35 173.02 2b8a n PRO 76 N -1.43 -0.15 -4.35 -1.68 -0.02 -1.26 -4.90 135.00 121.21 2b8a n PRO 76 Ca -0.04 0.01 -0.18 0.00 -2.02 0.00 0.00 63.50 61.27 2b8a n PRO 76 Cb 0.55 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 2b8a n PRO 76 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2b8a s ASN 77 N -2.04 1.61 0.15 2.55 0.02 -1.26 -5.03 114.94 110.93 2b8a s ASN 77 Ca 0.62 -1.35 0.24 0.00 -1.02 0.00 0.00 52.86 51.35 2b8a s ASN 77 Cb -0.25 0.07 0.22 0.00 0.02 0.00 0.00 41.25 41.31 2b8a s ASN 77 CO 0.62 -0.66 1.22 0.11 0.02 0.00 0.00 177.10 178.41 2b8a h LYS 78 N 2.34 0.00 0.00 -0.60 1.79 -2.03 -3.31 116.57 114.76 2b8a h LYS 78 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2b8a h LYS 78 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2b8a h LYS 78 CO 0.64 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.55 2b8a n ARG 79 N -2.29 0.17 -1.44 3.15 5.12 -1.26 -4.97 116.66 115.14 2b8a n ARG 79 Ca 0.02 0.51 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 2b8a n ARG 79 Cb 0.47 -1.90 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 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 -2.23 -4.07 0.00 5.56 4.76 -1.25 -4.77 118.16 116.17 2b8a n LYS 80 Ca 0.01 3.05 0.00 0.00 -2.87 0.00 0.00 58.31 58.50 2b8a n LYS 80 Cb 0.15 -3.50 0.00 0.00 -1.84 0.00 0.00 35.03 29.84 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 -1.18 2.75 0.29 0.72 0.00 -1.26 -4.89 105.19 101.62 2b8a n GLY 81 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.67 -0.57 1.61 3.04 -1.90 -2.85 116.94 115.60 2b8a h PHE 82 Ca 0.00 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.04 2b8a h PHE 82 Cb 0.00 0.25 -0.07 0.00 2.56 0.00 0.00 35.95 38.69 2b8a h PHE 82 CO 0.00 -0.39 0.18 0.66 -2.02 0.00 0.00 178.31 176.74 2b8a h SER 83 N -0.61 0.14 -1.14 0.41 4.64 -1.90 0.22 113.55 115.31 2b8a h SER 83 Ca -0.03 0.08 0.32 0.00 -0.47 0.00 0.00 61.79 61.70 2b8a h SER 83 Cb 0.52 0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 2b8a h SER 83 CO 0.01 0.09 0.80 -0.08 -0.87 0.00 0.00 176.83 176.78 2b8a h GLU 84 N 0.34 0.08 -0.01 4.77 4.22 -1.89 0.86 114.58 122.96 2b8a h GLU 84 Ca 0.29 -0.01 -0.16 0.00 0.08 0.00 0.00 59.36 59.56 2b8a h GLU 84 Cb 0.37 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2b8a h GLU 84 CO -0.32 0.06 -0.74 0.78 -2.18 0.00 0.00 179.01 176.61 2b8a h GLY 85 N 0.09 0.10 1.00 1.92 0.00 -0.85 -3.08 103.07 102.24 2b8a h GLY 85 Ca 0.57 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 2b8a h GLY 85 CO -0.08 0.14 0.36 1.41 0.00 0.00 0.00 176.54 178.37 2b8a h LEU 86 N 0.06 0.72 -0.42 3.11 3.38 0.88 -1.23 115.31 121.81 2b8a h LEU 86 Ca -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2b8a h LEU 86 Cb 1.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2b8a h LEU 86 CO 0.10 0.57 0.14 -0.25 0.09 0.00 0.00 178.44 179.10 2b8a h TRP 87 N 0.82 0.66 0.04 1.13 7.01 -1.50 -3.10 115.95 121.01 2b8a h TRP 87 Ca 0.22 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 2b8a h TRP 87 Cb -0.02 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 2b8a h TRP 87 CO -0.02 0.60 -0.02 0.93 -2.79 0.00 0.00 178.44 177.14 2b8a h GLU 88 N 0.53 -0.05 -0.62 2.65 3.07 -1.41 0.78 114.58 119.54 2b8a h GLU 88 Ca 0.14 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.18 2b8a h GLU 88 Cb 0.24 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2b8a h GLU 88 CO -0.01 0.13 0.55 0.97 -1.40 0.00 0.00 179.01 179.25 2b8a h ILE 89 N -0.23 0.44 0.00 3.13 2.10 -1.23 1.15 117.51 122.87 2b8a h ILE 89 Ca -0.01 0.00 -0.42 0.00 1.08 0.00 0.00 64.86 65.51 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 0.01 0.00 -2.50 -0.62 -1.08 0.00 0.00 178.15 173.96 2b8a n GLU 90 N -3.92 0.61 0.09 2.19 1.02 -1.04 -4.18 120.64 115.42 2b8a n GLU 90 Ca 0.12 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.33 2b8a n GLU 90 Cb 0.78 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.60 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 0.32 -1.29 1.62 2.35 0.93 -3.43 115.58 115.62 2b8a h ASN 91 Ca -0.63 -0.33 -0.15 0.00 -0.55 0.00 0.00 56.30 54.64 2b8a h ASN 91 Cb 1.76 -0.10 -0.23 0.00 0.05 0.00 0.00 38.32 39.80 2b8a h ASN 91 CO -0.25 1.23 -0.52 0.21 -1.65 0.00 0.00 177.43 176.45 2b8a s ASN 92 N -7.03 -0.72 0.06 5.81 3.84 0.39 -5.00 114.94 112.29 2b8a s ASN 92 Ca -0.03 -1.02 0.25 0.00 0.21 0.00 0.00 52.86 52.28 2b8a s ASN 92 Cb 0.08 1.54 1.02 0.00 -0.55 0.00 0.00 41.25 43.34 2b8a s ASN 92 CO 0.86 -0.20 1.79 -0.81 -2.79 0.00 0.00 177.10 175.96 2b8a n PRO 93 N 4.37 0.06 -0.44 0.43 -0.04 -1.03 -3.02 135.00 135.34 2b8a n PRO 93 Ca 0.11 0.12 0.09 0.00 -0.04 0.00 0.00 63.50 63.79 2b8a n PRO 93 Cb 0.53 -1.59 0.30 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.70 1.42 -1.89 0.52 -2.24 -1.26 -4.99 114.28 104.14 2b8a n THR 94 Ca 0.06 -1.14 -0.39 0.00 -2.27 0.00 0.00 64.05 60.31 2b8a n THR 94 Cb 0.32 0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.46 2.30 0.35 2.28 0.11 -1.17 -5.03 120.40 117.78 2b8a s VAL 95 Ca 0.45 0.24 0.04 0.00 -2.93 0.00 0.00 61.98 59.78 2b8a s VAL 95 Cb 0.27 -3.13 -0.06 0.00 -1.53 0.00 0.00 36.38 31.93 2b8a s VAL 95 CO 0.25 0.01 0.06 -0.54 -3.33 0.00 0.00 175.10 171.55 2b8a s LYS 96 N -2.65 1.74 -0.18 1.54 -0.14 -1.26 -5.09 119.74 113.71 2b8a s LYS 96 Ca 0.65 -1.99 -0.06 0.00 -1.36 0.00 0.00 55.97 53.21 2b8a s LYS 96 Cb -0.39 -0.94 -0.09 0.00 -1.68 0.00 0.00 37.83 34.72 2b8a s LYS 96 CO 0.48 -0.22 -0.21 0.00 -0.76 0.00 0.00 175.35 174.65 2b8a n ALA 97 N -0.77 1.75 -2.34 5.17 0.00 -1.26 -5.01 120.51 118.06 2b8a n ALA 97 Ca -0.04 -0.73 -0.34 0.00 0.00 0.00 0.00 53.44 52.33 2b8a n ALA 97 Cb 0.66 0.21 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 2b8a n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2b8a s SER 98 N -6.35 6.76 0.00 0.00 0.15 -1.26 -5.04 113.70 107.96 2b8a s SER 98 Ca -0.25 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2b8a s SER 98 Cb 0.09 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2b8a s SER 98 CO 0.35 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2b8a n GLY 99 N 0.29 0.79 3.61 9.45 0.00 -1.26 -5.02 105.19 113.04 2b8a n GLY 99 Ca -0.02 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2b8a n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b8a s TYR 100 N 0.33 2.35 -0.46 1.61 1.51 -1.26 -4.92 117.35 116.51 2b8a s TYR 100 Ca 0.00 0.69 -0.26 0.00 -1.01 0.00 0.00 57.07 56.48 2b8a s TYR 100 Cb 0.00 -4.21 -0.06 0.00 -0.11 0.00 0.00 41.96 37.58 2b8a s TYR 100 CO 0.00 -2.13 2.33 -1.14 -1.11 0.00 0.00 175.55 173.50 2b8a s GLN 101 N 4.89 2.31 0.59 -0.62 0.74 -1.26 -4.71 119.66 121.60 2b8a s GLN 101 Ca 0.63 1.44 0.00 0.00 0.05 0.00 0.00 55.36 57.49 2b8a s GLN 101 Cb -0.16 -4.53 0.00 0.00 1.10 0.00 0.00 33.01 29.42 2b8a s GLN 101 CO 0.31 -3.04 0.00 0.45 -0.55 0.00 0.00 175.29 172.46 2b8a n SER 102 N 14.94 -7.61 -3.64 6.67 2.88 -1.26 -5.04 113.62 120.56 2b8a n SER 102 Ca 0.34 1.20 -0.01 0.00 -1.33 0.00 0.00 58.87 59.08 2b8a n SER 102 Cb 0.53 -3.40 -0.00 0.00 -0.75 0.00 0.00 64.21 60.58 2b8a n SER 102 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2b8a s SER 103 N -6.28 -0.08 0.31 -3.46 0.15 -1.26 -5.16 113.70 97.93 2b8a s SER 103 Ca 0.00 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.36 2b8a s SER 103 Cb 0.00 0.32 -0.06 0.00 -1.71 0.00 0.00 66.02 64.57 2b8a s SER 103 CO 0.00 -0.61 0.06 -1.10 1.20 0.00 0.00 173.24 172.80 2b8a s GLN 104 N -2.61 1.60 -0.05 5.44 -1.52 -1.26 -5.06 119.66 116.20 2b8a s GLN 104 Ca 0.16 -1.88 0.11 0.00 -1.95 0.00 0.00 55.36 51.80 2b8a s GLN 104 Cb 0.01 -0.75 -0.23 0.00 -0.22 0.00 0.00 33.01 31.82 2b8a s GLN 104 CO -0.00 -0.21 0.64 1.63 -0.25 0.00 0.00 175.29 177.10 2b8a n LYS 105 N -0.64 0.64 -1.83 2.91 5.02 -1.26 -4.77 118.16 118.23 2b8a n LYS 105 Ca -0.02 0.29 -0.30 0.00 -2.02 0.00 0.00 58.31 56.27 2b8a n LYS 105 Cb 0.67 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 2b8a n LYS 105 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2b8a s LYS 106 N -2.59 2.28 0.02 1.97 1.02 -1.26 -4.86 119.74 116.32 2b8a s LYS 106 Ca -0.06 0.55 -0.28 0.00 0.02 0.00 0.00 55.97 56.21 2b8a s LYS 106 Cb 0.08 -4.68 0.09 0.00 -0.52 0.00 0.00 37.83 32.80 2b8a s LYS 106 CO 0.82 -3.36 0.82 -1.12 -0.92 0.00 0.00 175.35 171.58 2b8a s SER 107 N 9.63 -0.43 0.00 2.83 0.01 -1.26 -5.08 113.70 119.39 2b8a s SER 107 Ca 0.80 0.07 0.00 0.00 1.31 0.00 0.00 55.95 58.13 2b8a s SER 107 Cb -0.12 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2b8a s SER 107 CO 0.14 -0.68 0.00 0.00 0.41 0.00 0.00 173.24 173.11 2b8a n ALA 109 N -2.19 1.16 -0.74 0.00 0.00 -1.26 -5.32 120.51 112.15 2b8a n ALA 109 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2b8a n ALA 109 Cb 0.19 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2b8a n ALA 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59