#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8a s SER 2 N 0.00 -0.19 0.00 3.17 0.15 -1.26 -5.06 113.70 110.51 2b8a s SER 2 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2b8a s SER 2 Cb 0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2b8a s SER 2 CO 0.00 -0.09 0.00 -1.14 1.20 0.00 0.00 173.24 173.21 2b8a n ARG 3 N 3.36 0.00 -3.18 5.44 0.63 -1.26 -5.16 116.66 116.49 2b8a n ARG 3 Ca -0.17 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.64 2b8a n ARG 3 Cb 0.57 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.44 2b8a n ARG 3 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2b8a n SER 4 N -2.49 0.97 0.00 6.15 7.64 -1.26 -5.13 113.62 119.50 2b8a n SER 4 Ca 0.00 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.81 2b8a n SER 4 Cb 0.00 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2b8a n SER 4 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2b8a n ASN 5 N -1.84 0.00 -4.77 6.43 2.85 -1.26 -5.01 115.26 111.65 2b8a n ASN 5 Ca -0.02 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.07 2b8a n ASN 5 Cb 0.30 -0.24 -0.05 0.00 1.24 0.00 0.00 39.78 41.03 2b8a n ASN 5 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2b8a s ARG 6 N -0.65 4.52 -0.42 1.20 1.81 -1.26 -5.03 118.95 119.13 2b8a s ARG 6 Ca 0.00 1.48 0.03 0.00 -1.72 0.00 0.00 55.73 55.53 2b8a s ARG 6 Cb 0.00 -2.87 0.16 0.00 -0.45 0.00 0.00 34.95 31.80 2b8a s ARG 6 CO 0.00 0.19 0.33 -1.14 -0.68 0.00 0.00 175.30 174.00 2b8a s GLN 7 N -1.94 0.97 -0.22 3.54 0.74 -1.26 -5.10 119.66 116.38 2b8a s GLN 7 Ca 0.50 -2.06 -0.03 0.00 0.05 0.00 0.00 55.36 53.82 2b8a s GLN 7 Cb -0.23 -1.56 0.00 0.00 1.10 0.00 0.00 33.01 32.32 2b8a s GLN 7 CO 0.29 -1.35 -0.06 0.21 -0.55 0.00 0.00 175.29 173.83 2b8a s LYS 8 N 0.13 3.22 -0.03 1.67 2.47 -1.26 -5.11 119.74 120.83 2b8a s LYS 8 Ca 0.29 -0.72 -0.10 0.00 -1.56 0.00 0.00 55.97 53.88 2b8a s LYS 8 Cb -0.02 -2.95 -0.05 0.00 -1.46 0.00 0.00 37.83 33.35 2b8a s LYS 8 CO -0.16 -0.24 0.29 -1.21 0.16 0.00 0.00 175.35 174.19 2b8a s GLU 9 N 1.43 3.67 0.26 4.03 2.02 -1.26 -4.96 118.70 123.88 2b8a s GLU 9 Ca 0.05 0.10 0.10 0.00 0.02 0.00 0.00 54.97 55.23 2b8a s GLU 9 Cb -0.15 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 2b8a s GLU 9 CO -0.05 0.70 -0.02 0.71 0.02 0.00 0.00 175.26 176.62 2b8a s TYR 10 N -1.14 2.67 0.11 1.61 2.02 -1.26 -5.15 117.35 116.21 2b8a s TYR 10 Ca 0.23 -0.23 0.05 0.00 -0.37 0.00 0.00 57.07 56.75 2b8a s TYR 10 Cb -0.14 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2b8a s TYR 10 CO 0.11 0.62 -0.13 0.15 -1.57 0.00 0.00 175.55 174.74 2b8a s LYS 11 N -3.62 0.95 0.21 -0.62 3.01 -1.26 -5.09 119.74 113.32 2b8a s LYS 11 Ca 0.31 -1.20 -0.32 0.00 -1.01 0.00 0.00 55.97 53.75 2b8a s LYS 11 Cb -0.06 -0.77 -0.14 0.00 -1.01 0.00 0.00 37.83 35.84 2b8a s LYS 11 CO 0.19 0.14 1.30 0.00 0.51 0.00 0.00 175.35 177.49 2b8a n GLY 13 N 2.10 1.21 3.77 0.00 0.00 0.29 -4.94 105.19 107.62 2b8a n GLY 13 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.71 6.86 -0.29 1.61 -1.08 -0.45 -4.69 116.67 115.92 2b8a s ASP 14 Ca 0.00 2.30 -0.18 0.00 -0.52 0.00 0.00 52.55 54.15 2b8a s ASP 14 Cb 0.00 -2.62 -0.02 0.00 -1.46 0.00 0.00 42.92 38.82 2b8a s ASP 14 CO 0.00 -0.43 0.50 -0.76 0.52 0.00 0.00 175.17 174.99 2b8a s LEU 15 N -2.06 4.14 0.23 -1.34 1.43 -1.26 -0.41 118.68 119.40 2b8a s LEU 15 Ca 0.52 0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2b8a s LEU 15 Cb -0.31 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 2b8a s LEU 15 CO 0.39 -0.34 0.24 0.68 0.23 0.00 0.00 176.35 177.55 2b8a s VAL 16 N 2.31 0.00 -0.11 -1.59 -7.23 0.64 -2.35 120.40 112.07 2b8a s VAL 16 Ca 0.20 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.50 2b8a s VAL 16 Cb -0.16 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 2b8a s VAL 16 CO 0.11 0.00 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.47 2b8a s PHE 17 N -3.97 2.96 -0.17 2.82 0.08 0.32 -0.34 117.98 119.69 2b8a s PHE 17 Ca 0.35 -0.16 -0.02 0.00 0.12 0.00 0.00 56.93 57.22 2b8a s PHE 17 Cb 0.04 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 2b8a s PHE 17 CO 0.14 0.14 -0.08 0.00 -0.10 0.00 0.00 175.22 175.33 2b8a s ALA 18 N -0.26 2.79 -0.13 5.36 0.00 -1.05 -1.62 121.76 126.85 2b8a s ALA 18 Ca 0.04 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 2b8a s ALA 18 Cb -0.13 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2b8a s ALA 18 CO 0.02 0.01 0.50 0.21 0.00 0.00 0.00 175.76 176.51 2b8a s LYS 19 N 0.73 4.33 0.02 0.00 2.47 -0.51 -2.25 119.74 124.53 2b8a s LYS 19 Ca -0.04 0.49 0.03 0.00 -1.56 0.00 0.00 55.97 54.89 2b8a s LYS 19 Cb -0.15 -3.46 -0.01 0.00 -1.46 0.00 0.00 37.83 32.75 2b8a s LYS 19 CO 0.02 0.10 -0.09 1.41 0.16 0.00 0.00 175.35 176.95 2b8a s MET 20 N 0.80 0.63 0.03 4.03 1.75 -1.24 -4.92 119.30 120.38 2b8a s MET 20 Ca 0.27 -0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 53.89 2b8a s MET 20 Cb -0.15 -0.55 -0.07 0.00 2.84 0.00 0.00 34.83 36.89 2b8a s MET 20 CO 0.11 0.14 1.68 -1.59 -0.65 0.00 0.00 175.02 174.71 2b8a s LYS 21 N -0.81 4.19 0.00 4.11 -2.85 -1.26 -1.87 119.74 121.25 2b8a s LYS 21 Ca -0.01 2.31 0.00 0.00 -1.00 0.00 0.00 55.97 57.27 2b8a s LYS 21 Cb -0.06 -3.78 0.00 0.00 -2.06 0.00 0.00 37.83 31.93 2b8a s LYS 21 CO 0.00 -0.79 0.00 0.41 0.10 0.00 0.00 175.35 175.07 2b8a n GLY 22 N 4.09 0.17 3.21 0.59 0.00 -1.26 -5.05 105.19 106.94 2b8a n GLY 22 Ca 0.17 0.00 -0.13 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 -0.22 1.01 1.61 1.51 -0.78 -5.06 117.35 113.43 2b8a s TYR 23 Ca 0.00 0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 56.34 2b8a s TYR 23 Cb 0.00 0.09 0.20 0.00 -0.11 0.00 0.00 41.96 42.14 2b8a s TYR 23 CO 0.00 -0.29 1.20 -1.25 -1.11 0.00 0.00 175.55 174.10 2b8a s PRO 24 N -0.76 0.29 -0.36 -1.71 0.04 -1.26 -3.60 135.00 127.63 2b8a s PRO 24 Ca -0.08 -0.07 -0.38 0.00 0.04 0.00 0.00 61.00 60.50 2b8a s PRO 24 Cb -0.04 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 2b8a s PRO 24 CO 0.02 -2.71 2.10 0.72 0.04 0.00 0.00 177.00 177.18 2b8a n HIS 25 N -4.05 1.60 -3.66 0.56 8.25 -1.26 -4.62 115.22 112.04 2b8a n HIS 25 Ca 0.12 0.42 -0.36 0.00 -0.26 0.00 0.00 57.72 57.64 2b8a n HIS 25 Cb 0.59 -2.47 -0.07 0.00 1.12 0.00 0.00 29.99 29.16 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 6.35 3.44 -0.12 4.41 -0.11 -0.95 -4.86 118.94 127.09 2b8a s TRP 26 Ca 1.10 0.45 -0.35 0.00 1.22 0.00 0.00 56.10 58.52 2b8a s TRP 26 Cb -1.03 -2.22 -0.12 0.00 -1.50 0.00 0.00 33.47 28.60 2b8a s TRP 26 CO 0.56 0.30 1.86 -0.35 -4.62 0.00 0.00 176.95 174.69 2b8a n PRO 27 N 3.44 2.01 -4.15 5.86 -0.04 -1.26 -2.54 135.00 138.32 2b8a n PRO 27 Ca -0.15 0.74 -0.14 0.00 -0.04 0.00 0.00 63.50 63.91 2b8a n PRO 27 Cb 0.52 -2.56 -0.07 0.00 -0.04 0.00 0.00 33.50 31.35 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 4.00 0.95 0.04 0.55 0.00 0.54 -2.46 121.76 125.38 2b8a s ALA 28 Ca 0.94 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 2b8a s ALA 28 Cb -0.76 1.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2b8a s ALA 28 CO 0.54 -0.71 0.07 0.50 0.00 0.00 0.00 175.76 176.16 2b8a s ARG 29 N -3.67 0.59 0.17 0.00 3.52 -0.95 -0.26 118.95 118.34 2b8a s ARG 29 Ca 0.34 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 2b8a s ARG 29 Cb 0.03 0.23 -0.07 0.00 -1.56 0.00 0.00 34.95 33.57 2b8a s ARG 29 CO 0.17 -0.14 0.99 0.42 -0.81 0.00 0.00 175.30 175.93 2b8a s ILE 30 N -2.82 4.21 0.00 4.11 -1.09 0.45 -1.55 121.20 124.51 2b8a s ILE 30 Ca -0.03 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 2b8a s ILE 30 Cb 0.00 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2b8a s ILE 30 CO -0.06 0.36 0.00 -0.67 -1.23 0.00 0.00 174.94 173.34 2b8a n ASP 31 N 2.29 3.38 -3.49 3.58 -0.08 -0.86 0.10 116.55 121.47 2b8a n ASP 31 Ca 0.01 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.19 2b8a n ASP 31 Cb 0.48 0.65 -0.03 0.00 2.34 0.00 0.00 41.12 44.56 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 -1.38 0.92 0.04 -0.67 2.56 -1.23 -4.88 118.70 114.07 2b8a s GLU 32 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 54.97 54.52 2b8a s GLU 32 Cb 0.00 0.43 0.05 0.00 2.00 0.00 0.00 34.13 36.61 2b8a s GLU 32 CO 0.00 -0.38 0.51 0.00 -0.56 0.00 0.00 175.26 174.83 2b8a s MET 33 N -2.84 1.01 0.74 4.30 0.23 -1.26 -2.08 119.30 119.40 2b8a s MET 33 Ca 0.02 -0.22 -0.04 0.00 -1.03 0.00 0.00 55.69 54.42 2b8a s MET 33 Cb -0.01 0.46 0.12 0.00 -1.53 0.00 0.00 34.83 33.87 2b8a s MET 33 CO -0.07 -0.36 1.03 -1.25 -2.03 0.00 0.00 175.02 172.35 2b8a s PRO 34 N -2.33 1.67 0.00 3.16 0.04 -1.26 -4.99 135.00 131.29 2b8a s PRO 34 Ca -0.06 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.17 2b8a s PRO 34 Cb -0.01 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2b8a s PRO 34 CO -0.01 -1.50 0.00 -0.85 0.04 0.00 0.00 177.00 174.68 2b8a n GLU 35 N -2.96 0.00 0.00 4.56 -0.00 -1.26 -5.05 120.64 115.93 2b8a n GLU 35 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.29 2b8a n GLU 35 Cb 0.60 -0.14 0.00 0.00 -0.00 0.00 0.00 31.44 31.90 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 -2.36 0.00 -3.23 -1.84 0.00 -1.26 -5.07 120.51 106.76 2b8a n ALA 36 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2b8a n ALA 36 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.11 -2.16 0.00 0.00 0.00 -1.26 -4.99 121.76 112.24 2b8a s ALA 37 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2b8a s ALA 37 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2b8a s ALA 37 CO 0.00 -2.20 0.00 1.33 0.00 0.00 0.00 175.76 174.89 2b8a n VAL 38 N 4.44 0.00 -3.63 0.00 0.24 -1.26 -5.14 118.33 112.98 2b8a n VAL 38 Ca 0.11 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.29 2b8a n VAL 38 Cb 0.56 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 2b8a n VAL 38 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2b8a s LYS 39 N -1.00 0.68 -0.22 7.34 -2.85 -1.26 -5.11 119.74 117.32 2b8a s LYS 39 Ca 0.00 0.78 -0.28 0.00 -1.00 0.00 0.00 55.97 55.47 2b8a s LYS 39 Cb 0.00 0.33 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 2b8a s LYS 39 CO 0.00 -0.09 2.08 -1.12 0.10 0.00 0.00 175.35 176.32 2b8a s SER 40 N 0.24 5.68 0.00 0.03 0.01 -1.26 -4.75 113.70 113.65 2b8a s SER 40 Ca 0.01 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.10 2b8a s SER 40 Cb -0.05 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2b8a s SER 40 CO -0.02 -1.79 0.57 0.35 0.41 0.00 0.00 173.24 172.76 2b8a n THR 41 N 7.41 0.17 -4.17 1.44 -2.24 -1.26 -5.02 114.28 110.62 2b8a n THR 41 Ca 0.27 -0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.51 2b8a n THR 41 Cb 0.45 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.56 2b8a n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b8a n ALA 42 N -0.09 -1.23 -3.17 6.98 0.00 -1.26 0.12 120.51 121.86 2b8a n ALA 42 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 2b8a n ALA 42 Cb 0.44 -1.91 0.07 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.16 -2.90 -4.07 0.00 2.85 -1.26 -5.03 115.26 102.69 2b8a n ASN 43 Ca 0.03 -0.47 -0.07 0.00 -0.11 0.00 0.00 54.58 53.96 2b8a n ASN 43 Cb 0.44 -4.08 -0.10 0.00 1.24 0.00 0.00 39.78 37.28 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2b8a s LYS 44 N -5.30 0.56 0.27 1.20 -0.14 0.33 -4.81 119.74 111.85 2b8a s LYS 44 Ca 0.12 -1.12 0.03 0.00 -1.36 0.00 0.00 55.97 53.63 2b8a s LYS 44 Cb -0.05 0.19 -0.03 0.00 -1.68 0.00 0.00 37.83 36.26 2b8a s LYS 44 CO 0.57 -0.10 0.43 0.71 -0.76 0.00 0.00 175.35 176.19 2b8a s TYR 45 N -3.53 3.47 -0.43 3.18 1.51 -0.54 -4.56 117.35 116.46 2b8a s TYR 45 Ca 0.03 0.17 -0.17 0.00 -1.01 0.00 0.00 57.07 56.09 2b8a s TYR 45 Cb 0.05 -1.73 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 2b8a s TYR 45 CO -0.09 0.32 0.41 -1.14 -1.11 0.00 0.00 175.55 173.95 2b8a s GLN 46 N -3.97 3.06 -0.08 -0.62 0.74 -0.88 -2.33 119.66 115.58 2b8a s GLN 46 Ca 0.37 -0.87 -0.04 0.00 0.05 0.00 0.00 55.36 54.87 2b8a s GLN 46 Cb -0.10 -3.99 -0.04 0.00 1.10 0.00 0.00 33.01 29.99 2b8a s GLN 46 CO 0.31 -0.86 0.09 0.08 -0.55 0.00 0.00 175.29 174.37 2b8a s VAL 47 N 2.01 5.02 -0.24 1.34 1.01 -0.45 -2.04 120.40 127.05 2b8a s VAL 47 Ca 0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2b8a s VAL 47 Cb -0.18 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2b8a s VAL 47 CO 0.12 0.53 0.08 0.12 0.00 0.00 0.00 175.10 175.95 2b8a s PHE 48 N -1.05 3.11 -0.42 5.22 5.36 -0.60 -2.50 117.98 127.11 2b8a s PHE 48 Ca 0.17 -0.31 -0.19 0.00 -0.96 0.00 0.00 56.93 55.65 2b8a s PHE 48 Cb -0.12 -2.23 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2b8a s PHE 48 CO 0.07 -0.28 0.55 -0.06 -1.46 0.00 0.00 175.22 174.04 2b8a s PHE 49 N 1.48 3.12 1.43 10.12 0.08 0.96 -2.25 117.98 132.91 2b8a s PHE 49 Ca 0.06 -0.13 -0.23 0.00 0.12 0.00 0.00 56.93 56.76 2b8a s PHE 49 Cb -0.15 -3.12 0.37 0.00 -0.57 0.00 0.00 43.02 39.55 2b8a s PHE 49 CO 0.04 -0.75 0.92 -0.06 -0.10 0.00 0.00 175.22 175.27 2b8a s PHE 50 N 2.51 -0.61 0.00 0.36 0.08 -1.03 0.12 117.98 119.41 2b8a s PHE 50 Ca 0.18 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.85 2b8a s PHE 50 Cb -0.15 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.43 2b8a s PHE 50 CO 0.16 -5.03 0.00 0.41 -0.10 0.00 0.00 175.22 170.66 2b8a n GLY 51 N 1.56 0.83 0.10 4.36 0.00 -1.25 -3.34 105.19 107.43 2b8a n GLY 51 Ca 0.12 -0.01 0.07 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 0.79 -3.07 2.61 -2.24 -1.24 -4.77 114.28 106.35 2b8a n THR 52 Ca 0.00 -0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 60.98 2b8a n THR 52 Cb 0.00 -0.45 0.04 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 -2.71 -1.94 -3.19 4.78 -0.00 0.33 -4.99 115.22 107.50 2b8a n HIS 53 Ca -0.05 0.58 -0.29 0.00 -0.00 0.00 0.00 57.72 57.96 2b8a n HIS 53 Cb 0.67 -4.17 -0.03 0.00 -0.00 0.00 0.00 29.99 26.46 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 -5.72 3.67 -0.01 -0.41 2.02 -0.77 -4.80 118.70 112.69 2b8a s GLU 54 Ca 0.34 0.14 0.07 0.00 0.02 0.00 0.00 54.97 55.54 2b8a s GLU 54 Cb -0.15 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.49 2b8a s GLU 54 CO 0.42 0.14 -0.23 0.95 0.02 0.00 0.00 175.26 176.55 2b8a s THR 55 N -2.17 1.83 0.23 3.63 -4.23 -1.26 -0.03 115.64 113.63 2b8a s THR 55 Ca 0.46 -1.03 -0.16 0.00 -1.18 0.00 0.00 61.69 59.78 2b8a s THR 55 Cb -0.11 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.22 2b8a s THR 55 CO 0.30 0.48 0.54 0.00 -0.54 0.00 0.00 174.62 175.40 2b8a s ALA 56 N -0.58 -0.73 -0.17 3.99 0.00 -1.04 -5.02 121.76 118.22 2b8a s ALA 56 Ca 0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 2b8a s ALA 56 Cb -0.09 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 2b8a s ALA 56 CO -0.00 -0.87 -0.08 -0.06 0.00 0.00 0.00 175.76 174.75 2b8a s PHE 57 N -3.93 2.92 0.12 0.00 0.40 -1.26 -1.34 117.98 114.88 2b8a s PHE 57 Ca 0.14 -0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 55.82 2b8a s PHE 57 Cb -0.02 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 2b8a s PHE 57 CO 0.03 -0.26 0.08 -0.51 0.70 0.00 0.00 175.22 175.26 2b8a s LEU 58 N 0.70 1.76 0.60 -0.37 1.43 -0.98 -4.92 118.68 116.90 2b8a s LEU 58 Ca -0.04 -1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 51.95 2b8a s LEU 58 Cb -0.15 0.43 0.05 0.00 0.03 0.00 0.00 46.19 46.55 2b8a s LEU 58 CO 0.02 -0.73 0.84 -0.83 0.23 0.00 0.00 176.35 175.88 2b8a s GLY 59 N -3.01 1.80 0.53 -3.19 0.00 -1.26 -1.46 107.32 100.72 2b8a s GLY 59 Ca 0.20 -1.33 0.34 0.00 0.00 0.00 0.00 44.72 43.93 2b8a s GLY 59 CO -0.01 -0.99 2.02 -0.56 0.00 0.00 0.00 173.10 173.56 2b8a h PRO 60 N -0.12 0.00 0.00 2.90 0.13 -1.93 -2.44 132.00 130.55 2b8a h PRO 60 Ca -0.41 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.51 0.00 -0.33 0.87 -0.23 0.00 0.00 178.00 178.83 2b8a h LYS 61 N 0.00 0.00 -0.63 0.86 1.57 -1.95 -2.08 116.57 114.33 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 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2b8a h LYS 61 CO 0.00 0.33 0.00 -0.25 -0.57 0.00 0.00 179.45 178.96 2b8a n ASP 62 N -3.92 5.13 -4.44 0.86 8.00 -0.92 -4.91 116.55 116.34 2b8a n ASP 62 Ca -0.02 -2.61 -0.33 0.00 0.71 0.00 0.00 54.79 52.54 2b8a n ASP 62 Cb 0.39 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.16 2.72 0.07 0.64 1.02 -0.78 -1.42 118.68 118.76 2b8a s LEU 63 Ca 0.53 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.46 2b8a s LEU 63 Cb 0.36 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.97 2b8a s LEU 63 CO 0.22 0.30 -0.06 -0.36 0.02 0.00 0.00 176.35 176.46 2b8a s PHE 64 N -0.43 0.72 -0.28 0.29 0.40 -0.64 -4.92 117.98 113.12 2b8a s PHE 64 Ca 0.05 -0.77 -0.29 0.00 -0.60 0.00 0.00 56.93 55.33 2b8a s PHE 64 Cb -0.12 -0.44 -0.02 0.00 0.51 0.00 0.00 43.02 42.95 2b8a s PHE 64 CO 0.02 -0.16 1.65 -2.14 0.70 0.00 0.00 175.22 175.29 2b8a s PRO 65 N -2.91 3.62 0.13 0.24 0.02 -1.26 -0.52 135.00 134.33 2b8a s PRO 65 Ca 0.02 1.50 -0.31 0.00 0.02 0.00 0.00 61.00 62.23 2b8a s PRO 65 Cb -0.01 -4.09 -0.08 0.00 0.02 0.00 0.00 34.50 30.35 2b8a s PRO 65 CO -0.03 -1.51 1.56 -0.92 -0.33 0.00 0.00 177.00 175.77 2b8a h TYR 66 N 11.42 -1.50 -1.00 6.54 3.20 -1.75 0.37 116.97 134.26 2b8a h TYR 66 Ca -0.33 0.07 0.20 0.00 3.14 0.00 0.00 58.73 61.81 2b8a h TYR 66 Cb 1.15 0.69 -0.11 0.00 1.54 0.00 0.00 36.73 40.00 2b8a h TYR 66 CO 0.93 -0.50 0.61 0.93 -1.64 0.00 0.00 178.16 178.49 2b8a h GLU 67 N -0.46 0.68 -0.30 1.82 5.08 -1.91 1.34 114.58 120.83 2b8a h GLU 67 Ca 0.08 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 2b8a h GLU 67 Cb 0.63 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2b8a h GLU 67 CO -0.51 0.45 -0.52 0.93 -1.00 0.00 0.00 179.01 178.36 2b8a h GLU 68 N 0.71 0.89 -0.53 2.33 5.08 -1.61 -3.25 114.58 118.19 2b8a h GLU 68 Ca 0.59 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2b8a h GLU 68 Cb 1.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2b8a h GLU 68 CO -0.39 1.19 0.00 0.43 -1.00 0.00 0.00 179.01 179.23 2b8a n SER 69 N -4.01 3.54 -0.02 1.42 7.64 -0.00 -4.55 113.62 117.63 2b8a n SER 69 Ca -0.04 -1.97 -0.09 0.00 1.01 0.00 0.00 58.87 57.78 2b8a n SER 69 Cb 0.62 -0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 2b8a n SER 69 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2b8a h LYS 70 N 3.85 -0.08 0.00 1.43 3.64 0.17 0.60 116.57 126.18 2b8a h LYS 70 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2b8a h LYS 70 Cb 0.92 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2b8a h LYS 70 CO 0.00 -0.05 0.00 0.93 -2.27 0.00 0.00 179.45 178.06 2b8a h GLU 71 N -0.08 0.00 0.00 1.90 5.08 -1.81 1.15 114.58 120.83 2b8a h GLU 71 Ca 0.09 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2b8a h GLU 71 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2b8a h GLU 71 CO -0.21 0.00 -0.55 -0.22 -1.00 0.00 0.00 179.01 177.03 2b8a h LYS 72 N 0.00 0.00 0.00 2.33 3.11 -1.50 -3.40 116.57 117.11 2b8a h LYS 72 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2b8a h LYS 72 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 2b8a h LYS 72 CO 0.00 0.78 -0.99 1.19 -2.81 0.00 0.00 179.45 177.62 2b8a n PHE 73 N -4.56 0.00 -1.81 1.91 3.72 0.20 -4.76 117.46 112.16 2b8a n PHE 73 Ca -0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 2b8a n PHE 73 Cb 0.48 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.00 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 1.48 3.63 3.27 1.37 0.00 0.40 -4.86 105.19 110.48 2b8a n GLY 74 Ca 0.04 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 3.83 0.76 0.24 1.61 -0.14 -1.26 -4.83 119.74 119.95 2b8a s LYS 75 Ca 0.51 -0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 54.54 2b8a s LYS 75 Cb 0.12 0.34 -0.15 0.00 -1.68 0.00 0.00 37.83 36.45 2b8a s LYS 75 CO -0.01 -0.23 0.89 -2.30 -0.76 0.00 0.00 175.35 172.93 2b8a n PRO 76 N 0.94 0.90 -4.05 -1.68 -0.02 -1.26 -4.83 135.00 125.00 2b8a n PRO 76 Ca -0.20 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.37 2b8a n PRO 76 Cb 0.58 -1.60 -0.06 0.00 -0.02 0.00 0.00 33.50 32.40 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 -0.60 4.88 0.20 2.55 3.04 -1.26 -5.02 114.94 118.73 2b8a s ASN 77 Ca 0.63 -0.65 0.22 0.00 0.04 0.00 0.00 52.86 53.09 2b8a s ASN 77 Cb -0.80 -0.85 -0.00 0.00 -1.54 0.00 0.00 41.25 38.06 2b8a s ASN 77 CO 0.58 -0.26 1.04 0.50 -3.04 0.00 0.00 177.10 175.92 2b8a h LYS 78 N 1.50 0.00 0.00 0.43 1.63 -2.03 -3.29 116.57 114.81 2b8a h LYS 78 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2b8a h LYS 78 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2b8a h LYS 78 CO 0.62 0.04 0.00 0.54 -3.45 0.00 0.00 179.45 177.19 2b8a n ARG 79 N -2.73 0.10 -1.22 1.90 5.12 -1.26 -4.98 116.66 113.59 2b8a n ARG 79 Ca -0.01 0.35 0.00 0.00 -1.93 0.00 0.00 57.85 56.26 2b8a n ARG 79 Cb 0.59 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 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 -1.88 -3.32 0.00 5.56 4.76 -1.24 -4.80 118.16 117.24 2b8a n LYS 80 Ca 0.03 2.53 0.00 0.00 -2.87 0.00 0.00 58.31 58.00 2b8a n LYS 80 Cb 0.19 -3.05 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 -1.85 3.04 0.30 0.72 0.00 -1.26 -4.89 105.19 101.25 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 -0.68 -0.57 1.61 3.04 -1.89 -2.88 116.94 115.57 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 0.25 -0.08 0.00 2.56 0.00 0.00 35.95 38.68 2b8a h PHE 82 CO 0.00 -0.39 0.11 0.66 -2.02 0.00 0.00 178.31 176.67 2b8a h SER 83 N -0.62 -0.01 -1.15 0.41 4.64 -1.90 0.12 113.55 115.05 2b8a h SER 83 Ca -0.03 0.11 0.33 0.00 -0.47 0.00 0.00 61.79 61.72 2b8a h SER 83 Cb 0.52 0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.70 2b8a h SER 83 CO 0.02 0.01 0.81 -0.33 -0.87 0.00 0.00 176.83 176.47 2b8a h GLU 84 N 0.25 0.08 -0.02 4.77 4.39 -1.89 0.88 114.58 123.04 2b8a h GLU 84 Ca 0.29 -0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.82 2b8a h GLU 84 Cb 0.43 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2b8a h GLU 84 CO -0.38 0.05 -0.74 0.78 -1.16 0.00 0.00 179.01 177.55 2b8a h GLY 85 N 0.08 0.14 1.00 -3.84 0.00 -0.67 -3.04 103.07 96.75 2b8a h GLY 85 Ca 0.57 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 2b8a h GLY 85 CO -0.07 0.20 0.36 1.41 0.00 0.00 0.00 176.54 178.44 2b8a h LEU 86 N 0.08 0.74 -0.36 3.11 3.38 0.96 -1.06 115.31 122.16 2b8a h LEU 86 Ca -0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2b8a h LEU 86 Cb 1.31 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2b8a h LEU 86 CO 0.11 0.59 0.14 -0.25 0.09 0.00 0.00 178.44 179.12 2b8a h TRP 87 N 0.83 0.56 0.14 1.13 7.01 -1.48 -2.98 115.95 121.15 2b8a h TRP 87 Ca 0.22 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2b8a h TRP 87 Cb -0.01 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 2b8a h TRP 87 CO -0.02 0.51 -0.07 0.93 -2.79 0.00 0.00 178.44 177.01 2b8a h GLU 88 N 0.44 -0.18 -0.50 2.65 3.07 -1.38 0.93 114.58 119.60 2b8a h GLU 88 Ca 0.12 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.14 2b8a h GLU 88 Cb 0.19 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2b8a h GLU 88 CO -0.01 -0.01 0.49 0.97 -1.40 0.00 0.00 179.01 179.06 2b8a h ILE 89 N -0.33 0.40 0.00 3.13 6.09 -1.20 1.17 117.51 126.78 2b8a h ILE 89 Ca -0.02 0.00 -0.42 0.00 -1.37 0.00 0.00 64.86 63.05 2b8a h ILE 89 Cb 0.26 0.62 -0.07 0.00 0.47 0.00 0.00 36.82 38.10 2b8a h ILE 89 CO 0.03 0.00 -2.49 -0.62 -3.07 0.00 0.00 178.15 172.00 2b8a n GLU 90 N -3.80 0.62 0.08 2.19 -0.58 -0.99 -4.15 120.64 114.02 2b8a n GLU 90 Ca 0.09 0.21 -0.13 0.00 -0.42 0.00 0.00 57.16 56.92 2b8a n GLU 90 Cb 0.69 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 29.92 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 0.26 -1.32 1.62 -0.26 0.12 -3.43 115.58 112.09 2b8a h ASN 91 Ca -0.63 -0.28 -0.18 0.00 -0.56 0.00 0.00 56.30 54.64 2b8a h ASN 91 Cb 1.76 -0.08 -0.23 0.00 -1.06 0.00 0.00 38.32 38.71 2b8a h ASN 91 CO -0.25 1.22 -0.54 0.21 -1.06 0.00 0.00 177.43 177.01 2b8a s ASN 92 N -6.95 -0.66 0.10 5.81 3.84 0.40 -5.00 114.94 112.48 2b8a s ASN 92 Ca -0.02 -1.24 0.24 0.00 0.21 0.00 0.00 52.86 52.05 2b8a s ASN 92 Cb 0.08 1.47 0.95 0.00 -0.55 0.00 0.00 41.25 43.21 2b8a s ASN 92 CO 0.86 -0.18 1.75 -0.81 -2.79 0.00 0.00 177.10 175.94 2b8a n PRO 93 N 4.09 0.11 -0.42 0.43 -0.04 -1.01 -2.96 135.00 135.19 2b8a n PRO 93 Ca 0.13 0.18 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 2b8a n PRO 93 Cb 0.53 -1.65 0.29 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 -1.84 1.44 -1.79 0.52 -2.24 -1.26 -4.98 114.28 104.13 2b8a n THR 94 Ca 0.05 -1.16 -0.39 0.00 -2.27 0.00 0.00 64.05 60.29 2b8a n THR 94 Cb 0.31 0.29 0.04 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 -1.49 2.08 -0.17 2.28 0.11 -1.15 -4.42 120.40 117.64 2b8a s VAL 95 Ca 0.43 0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 59.44 2b8a s VAL 95 Cb 0.26 -3.03 0.04 0.00 -1.53 0.00 0.00 36.38 32.11 2b8a s VAL 95 CO 0.23 0.00 0.21 0.29 -3.33 0.00 0.00 175.10 172.50 2b8a n LYS 96 N -0.87 -3.97 -1.45 1.54 4.76 -1.26 -4.91 118.16 112.00 2b8a n LYS 96 Ca 0.09 3.06 0.03 0.00 -2.87 0.00 0.00 58.31 58.62 2b8a n LYS 96 Cb 0.44 -4.57 -0.02 0.00 -1.84 0.00 0.00 35.03 29.04 2b8a n LYS 96 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b8a n ALA 97 N 1.43 -2.17 -3.88 7.82 0.00 -1.26 -5.09 120.51 117.37 2b8a n ALA 97 Ca -0.35 0.53 -0.03 0.00 0.00 0.00 0.00 53.44 53.59 2b8a n ALA 97 Cb 0.55 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -5.57 -0.00 0.00 0.00 0.15 -1.26 -4.91 113.70 102.10 2b8a s SER 98 Ca 0.00 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2b8a s SER 98 Cb 0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2b8a s SER 98 CO 0.00 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.09 2b8a n GLY 99 N -0.69 0.00 3.29 9.45 0.00 -1.26 -5.16 105.19 110.82 2b8a n GLY 99 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 2.69 -0.28 1.61 6.14 -1.26 -5.10 117.35 121.15 2b8a s TYR 100 Ca 0.00 -0.86 -0.06 0.00 0.64 0.00 0.00 57.07 56.80 2b8a s TYR 100 Cb 0.00 -1.78 0.14 0.00 0.42 0.00 0.00 41.96 40.74 2b8a s TYR 100 CO 0.00 -0.32 0.57 1.14 0.64 0.00 0.00 175.55 177.57 2b8a s GLN 101 N 0.36 0.51 0.46 4.97 -2.07 -1.26 -5.17 119.66 117.46 2b8a s GLN 101 Ca -0.15 1.14 0.03 0.00 -1.82 0.00 0.00 55.36 54.56 2b8a s GLN 101 Cb -0.17 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.26 2b8a s GLN 101 CO 0.07 -0.40 0.04 -1.54 -1.32 0.00 0.00 175.29 172.14 2b8a s SER 102 N 2.80 3.61 0.63 12.60 1.04 -1.26 -5.08 113.70 128.04 2b8a s SER 102 Ca 0.06 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.87 2b8a s SER 102 Cb -0.13 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2b8a s SER 102 CO -0.18 -0.83 0.00 -0.24 0.98 0.00 0.00 173.24 172.97 2b8a n SER 103 N -1.22 -7.91 0.16 7.02 2.88 -1.26 -5.04 113.62 108.25 2b8a n SER 103 Ca -0.13 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 2b8a n SER 103 Cb 0.66 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 59.11 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 -4.26 0.00 -4.10 -1.46 7.27 -1.26 -5.16 117.38 108.41 2b8a n GLN 104 Ca -0.09 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.71 2b8a n GLN 104 Cb 0.68 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.29 2b8a n GLN 104 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2b8a n LYS 105 N -3.18 0.93 -0.01 3.69 4.01 -1.26 -5.08 118.16 117.26 2b8a n LYS 105 Ca 0.00 -3.08 -0.09 0.00 -0.51 0.00 0.00 58.31 54.63 2b8a n LYS 105 Cb 0.00 0.73 -0.07 0.00 -0.51 0.00 0.00 35.03 35.18 2b8a n LYS 105 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2b8a h LYS 106 N 0.00 -0.10 -3.30 1.97 3.11 -2.01 -3.50 116.57 112.74 2b8a h LYS 106 Ca -0.34 0.01 0.39 0.00 -2.81 0.00 0.00 60.65 57.89 2b8a h LYS 106 Cb 1.08 0.02 -0.12 0.00 -1.00 0.00 0.00 32.23 32.21 2b8a h LYS 106 CO 0.56 0.37 -0.65 0.43 -2.81 0.00 0.00 179.45 177.35 2b8a n SER 107 N -4.80 -8.70 0.01 4.20 7.64 -1.26 -4.87 113.62 105.84 2b8a n SER 107 Ca -0.06 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.55 2b8a n SER 107 Cb 0.25 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 2b8a n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b8a h ALA 109 N 0.00 -0.69 0.00 0.00 0.00 -2.05 -3.57 119.26 112.96 2b8a h ALA 109 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2b8a h ALA 109 Cb 0.70 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2b8a h ALA 109 CO 0.00 -0.79 0.00 0.39 0.00 0.00 0.00 179.25 178.85