#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 4.86 -0.29 3.17 1.04 -1.26 -4.19 113.70 117.03 2b8a s SER 2 Ca 0.00 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.45 2b8a s SER 2 Cb 0.00 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.55 2b8a s SER 2 CO 0.00 -3.11 0.03 -1.14 0.98 0.00 0.00 173.24 170.00 2b8a n ARG 3 N 8.61 -3.65 -1.25 4.02 0.63 -1.26 -4.99 116.66 118.77 2b8a n ARG 3 Ca 0.42 2.89 0.04 0.00 -0.92 0.00 0.00 57.85 60.29 2b8a n ARG 3 Cb 0.46 -5.36 0.07 0.00 0.45 0.00 0.00 32.46 28.09 2b8a n ARG 3 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2b8a n SER 4 N 0.83 1.18 -3.81 6.15 3.41 -1.26 -5.01 113.62 115.10 2b8a n SER 4 Ca -0.05 -2.50 -0.30 0.00 -0.26 0.00 0.00 58.87 55.77 2b8a n SER 4 Cb 0.08 -0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.52 2b8a n SER 4 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2b8a s ASN 5 N -2.31 3.84 0.00 4.04 0.01 -1.26 -5.03 114.94 114.22 2b8a s ASN 5 Ca 0.35 -1.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.08 2b8a s ASN 5 Cb 0.38 -0.96 0.00 0.00 0.41 0.00 0.00 41.25 41.08 2b8a s ASN 5 CO -0.14 -0.35 0.00 0.54 -1.51 0.00 0.00 177.10 175.64 2b8a n ARG 6 N 4.79 0.00 -3.87 -0.60 1.74 -1.26 -5.01 116.66 112.44 2b8a n ARG 6 Ca -0.05 0.43 -0.11 0.00 -0.77 0.00 0.00 57.85 57.35 2b8a n ARG 6 Cb 0.44 -0.93 -0.10 0.00 -1.02 0.00 0.00 32.46 30.85 2b8a n ARG 6 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2b8a s GLN 7 N -0.86 0.47 0.00 5.56 -0.21 -1.26 -5.16 119.66 118.20 2b8a s GLN 7 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.00 2b8a s GLN 7 Cb 0.00 0.20 0.00 0.00 1.00 0.00 0.00 33.01 34.21 2b8a s GLN 7 CO 0.00 -0.11 0.00 1.17 -2.12 0.00 0.00 175.29 174.23 2b8a n LYS 8 N 1.50 0.00 -0.00 2.91 4.81 -1.26 -5.15 118.16 120.97 2b8a n LYS 8 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 2b8a n LYS 8 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 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 0.00 0.00 -4.29 1.64 1.02 -1.26 -5.09 120.64 112.67 2b8a n GLU 9 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.91 2b8a n GLU 9 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2b8a n GLU 9 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2b8a s TYR 10 N -0.68 2.70 0.10 -0.32 1.51 -1.26 -5.15 117.35 114.26 2b8a s TYR 10 Ca 0.00 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 2b8a s TYR 10 Cb 0.00 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 2b8a s TYR 10 CO 0.00 0.60 -0.07 0.15 -1.11 0.00 0.00 175.55 175.13 2b8a s LYS 11 N -3.55 0.85 0.10 -0.62 3.01 -1.26 -5.04 119.74 113.23 2b8a s LYS 11 Ca 0.31 -1.34 -0.35 0.00 -1.01 0.00 0.00 55.97 53.57 2b8a s LYS 11 Cb -0.07 -0.22 -0.15 0.00 -1.01 0.00 0.00 37.83 36.38 2b8a s LYS 11 CO 0.19 -0.02 1.50 0.00 0.51 0.00 0.00 175.35 177.54 2b8a n GLY 13 N 3.13 1.49 3.76 0.00 0.00 0.40 -4.97 105.19 108.99 2b8a n GLY 13 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2b8a n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b8a s ASP 14 N -1.59 6.97 -0.28 1.61 1.11 -0.56 -4.72 116.67 119.21 2b8a s ASP 14 Ca 0.00 2.46 -0.18 0.00 0.18 0.00 0.00 52.55 55.01 2b8a s ASP 14 Cb 0.00 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 2b8a s ASP 14 CO 0.00 -0.40 0.53 -0.76 1.18 0.00 0.00 175.17 175.72 2b8a s LEU 15 N -1.18 4.11 0.28 1.23 1.43 -1.26 -0.50 118.68 122.79 2b8a s LEU 15 Ca 0.50 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2b8a s LEU 15 Cb -0.36 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 2b8a s LEU 15 CO 0.45 -0.35 0.24 0.68 0.23 0.00 0.00 176.35 177.60 2b8a s VAL 16 N 2.38 0.00 -0.07 -1.59 -7.23 0.36 -2.29 120.40 111.95 2b8a s VAL 16 Ca 0.21 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2b8a s VAL 16 Cb -0.15 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2b8a s VAL 16 CO 0.10 0.00 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.39 2b8a s PHE 17 N -3.69 2.74 -0.17 2.82 0.08 0.73 -0.53 117.98 119.97 2b8a s PHE 17 Ca 0.39 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.15 2b8a s PHE 17 Cb 0.04 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 2b8a s PHE 17 CO 0.22 0.09 -0.12 0.00 -0.10 0.00 0.00 175.22 175.30 2b8a s ALA 18 N -0.45 2.61 -0.08 5.36 0.00 -1.03 -0.95 121.76 127.23 2b8a s ALA 18 Ca 0.05 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 2b8a s ALA 18 Cb -0.12 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 2b8a s ALA 18 CO 0.02 -0.10 0.47 0.21 0.00 0.00 0.00 175.76 176.36 2b8a s LYS 19 N 0.92 4.24 0.09 0.00 2.47 -0.60 -1.55 119.74 125.31 2b8a s LYS 19 Ca -0.02 0.46 0.07 0.00 -1.56 0.00 0.00 55.97 54.91 2b8a s LYS 19 Cb -0.15 -3.37 -0.03 0.00 -1.46 0.00 0.00 37.83 32.81 2b8a s LYS 19 CO -0.01 0.31 -0.17 -1.64 0.16 0.00 0.00 175.35 174.00 2b8a s MET 20 N 0.11 1.00 -0.15 4.03 -1.94 -1.23 -4.91 119.30 116.22 2b8a s MET 20 Ca 0.26 -1.10 -0.29 0.00 -1.71 0.00 0.00 55.69 52.85 2b8a s MET 20 Cb -0.16 -1.11 -0.04 0.00 2.01 0.00 0.00 34.83 35.52 2b8a s MET 20 CO 0.12 0.25 1.76 0.15 -0.01 0.00 0.00 175.02 177.28 2b8a s LYS 21 N -1.95 3.84 0.00 2.03 1.02 -1.26 -1.87 119.74 121.55 2b8a s LYS 21 Ca 0.04 1.97 0.00 0.00 0.02 0.00 0.00 55.97 57.99 2b8a s LYS 21 Cb -0.09 -4.09 0.00 0.00 -0.52 0.00 0.00 37.83 33.13 2b8a s LYS 21 CO 0.03 -1.25 0.00 0.41 -0.92 0.00 0.00 175.35 173.62 2b8a n GLY 22 N 4.67 2.12 3.20 -3.33 0.00 -1.26 -5.05 105.19 105.55 2b8a n GLY 22 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.61 1.30 0.75 1.61 2.02 -0.78 -5.11 117.35 114.53 2b8a s TYR 23 Ca 0.00 -0.50 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 2b8a s TYR 23 Cb 0.00 -0.71 0.05 0.00 -0.40 0.00 0.00 41.96 40.90 2b8a s TYR 23 CO 0.00 0.09 1.11 -1.25 -1.57 0.00 0.00 175.55 173.93 2b8a s PRO 24 N -2.14 2.36 -0.37 -1.71 0.04 -1.26 -3.47 135.00 128.44 2b8a s PRO 24 Ca 0.03 0.17 -0.40 0.00 0.04 0.00 0.00 61.00 60.84 2b8a s PRO 24 Cb -0.08 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.28 2b8a s PRO 24 CO 0.02 -1.30 1.96 0.72 0.04 0.00 0.00 177.00 178.44 2b8a n HIS 25 N -3.11 1.70 -3.64 0.56 8.25 -1.26 -4.60 115.22 113.11 2b8a n HIS 25 Ca 0.07 0.57 -0.36 0.00 -0.26 0.00 0.00 57.72 57.74 2b8a n HIS 25 Cb 0.59 -2.42 -0.08 0.00 1.12 0.00 0.00 29.99 29.20 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 5.19 3.42 -0.18 4.41 -0.11 -0.60 -4.83 118.94 126.25 2b8a s TRP 26 Ca 1.07 0.43 -0.36 0.00 1.22 0.00 0.00 56.10 58.46 2b8a s TRP 26 Cb -1.14 -2.25 -0.13 0.00 -1.50 0.00 0.00 33.47 28.45 2b8a s TRP 26 CO 0.62 0.24 1.87 -0.35 -4.62 0.00 0.00 176.95 174.71 2b8a n PRO 27 N 3.64 1.76 -4.15 5.86 -0.04 -1.26 -2.48 135.00 138.34 2b8a n PRO 27 Ca -0.14 0.64 -0.15 0.00 -0.04 0.00 0.00 63.50 63.81 2b8a n PRO 27 Cb 0.52 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 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 4.25 0.99 0.04 0.55 0.00 0.31 -2.35 121.76 125.55 2b8a s ALA 28 Ca 0.96 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 2b8a s ALA 28 Cb -0.82 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 2b8a s ALA 28 CO 0.56 -0.73 0.05 0.50 0.00 0.00 0.00 175.76 176.14 2b8a s ARG 29 N -3.51 0.56 0.18 0.00 3.52 -0.95 -0.49 118.95 118.27 2b8a s ARG 29 Ca 0.34 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.76 2b8a s ARG 29 Cb 0.02 0.21 -0.08 0.00 -1.56 0.00 0.00 34.95 33.54 2b8a s ARG 29 CO 0.19 -0.13 0.98 0.42 -0.81 0.00 0.00 175.30 175.95 2b8a s ILE 30 N -2.87 4.17 0.00 4.11 -1.09 0.35 -1.74 121.20 124.13 2b8a s ILE 30 Ca -0.03 1.98 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 2b8a s ILE 30 Cb 0.00 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 2b8a s ILE 30 CO -0.06 0.39 0.00 0.47 -1.23 0.00 0.00 174.94 174.51 2b8a n ASP 31 N 2.09 4.18 -3.53 3.58 8.00 -0.94 -0.46 116.55 129.48 2b8a n ASP 31 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.36 2b8a n ASP 31 Cb 0.48 0.80 -0.05 0.00 -0.02 0.00 0.00 41.12 42.32 2b8a n ASP 31 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2b8a s GLU 32 N -1.69 0.91 0.34 -1.24 2.12 -1.24 -4.89 118.70 113.01 2b8a s GLU 32 Ca 0.00 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.47 2b8a s GLU 32 Cb 0.00 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.78 2b8a s GLU 32 CO 0.00 -0.30 0.54 -1.64 -0.54 0.00 0.00 175.26 173.32 2b8a s MET 33 N -1.47 3.49 -0.07 4.30 -1.94 -1.26 -3.25 119.30 119.09 2b8a s MET 33 Ca -0.06 -0.34 -0.29 0.00 -1.71 0.00 0.00 55.69 53.29 2b8a s MET 33 Cb -0.00 -2.67 -0.02 0.00 2.01 0.00 0.00 34.83 34.15 2b8a s MET 33 CO 0.04 0.16 0.95 -1.25 -0.01 0.00 0.00 175.02 174.92 2b8a s PRO 34 N -4.28 4.46 0.00 2.03 0.04 -1.26 -4.89 135.00 131.09 2b8a s PRO 34 Ca 0.40 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2b8a s PRO 34 Cb -0.10 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2b8a s PRO 34 CO 0.36 -0.19 0.00 -1.91 0.04 0.00 0.00 177.00 175.29 2b8a n GLU 35 N 4.55 0.00 0.05 4.56 2.13 -1.26 -5.03 120.64 125.63 2b8a n GLU 35 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2b8a n GLU 35 Cb 0.50 -0.43 0.00 0.00 0.27 0.00 0.00 31.44 31.77 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2b8a n ALA 36 N -0.69 0.00 -2.74 4.31 0.00 -1.26 -5.02 120.51 115.11 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 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.61 -1.89 -2.83 0.00 0.00 -1.26 -3.80 120.51 108.12 2b8a n ALA 37 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 53.44 52.22 2b8a n ALA 37 Cb 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 2b8a n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2b8a s VAL 38 N 0.66 0.09 -0.95 0.00 -7.23 -1.26 -4.91 120.40 106.80 2b8a s VAL 38 Ca 0.31 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2b8a s VAL 38 Cb 0.18 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.69 2b8a s VAL 38 CO -0.19 -0.39 0.02 2.29 -0.31 0.00 0.00 175.10 176.52 2b8a n LYS 39 N -0.19 -0.96 -3.01 4.82 2.85 -1.26 -1.05 118.16 119.37 2b8a n LYS 39 Ca -0.13 0.06 -0.02 0.00 -1.05 0.00 0.00 58.31 57.16 2b8a n LYS 39 Cb 0.63 -2.22 0.01 0.00 -0.65 0.00 0.00 35.03 32.80 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 -1.61 -7.34 -4.01 -5.58 7.64 -1.26 -5.05 113.62 96.41 2b8a n SER 40 Ca -0.19 -0.17 -0.10 0.00 1.01 0.00 0.00 58.87 59.43 2b8a n SER 40 Cb 0.42 -5.09 -0.06 0.00 -1.01 0.00 0.00 64.21 58.47 2b8a n SER 40 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2b8a s THR 41 N -3.06 0.00 0.17 0.44 -4.23 -0.21 -5.03 115.64 103.71 2b8a s THR 41 Ca 0.07 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2b8a s THR 41 Cb -0.01 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.58 2b8a s THR 41 CO 0.71 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.79 2b8a n ALA 42 N -0.37 0.00 -2.70 3.99 0.00 -1.25 -3.99 120.51 116.19 2b8a n ALA 42 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 2b8a n ALA 42 Cb 0.62 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.91 -0.91 -4.03 0.00 3.02 -1.26 -4.52 115.26 104.64 2b8a n ASN 43 Ca 0.00 -2.18 -0.12 0.00 -0.03 0.00 0.00 54.58 52.25 2b8a n ASN 43 Cb 0.00 0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 39.53 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 -0.59 0.45 0.25 3.52 1.02 -1.26 -4.74 119.74 118.39 2b8a s LYS 44 Ca 0.12 -0.68 -0.03 0.00 0.02 0.00 0.00 55.97 55.40 2b8a s LYS 44 Cb 0.43 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 37.51 2b8a s LYS 44 CO -0.11 0.02 0.48 0.71 -0.92 0.00 0.00 175.35 175.53 2b8a s TYR 45 N -1.33 3.48 -0.46 3.18 1.51 0.15 -4.29 117.35 119.58 2b8a s TYR 45 Ca -0.11 0.52 -0.19 0.00 -1.01 0.00 0.00 57.07 56.28 2b8a s TYR 45 Cb -0.10 -2.00 0.04 0.00 -0.11 0.00 0.00 41.96 39.79 2b8a s TYR 45 CO -0.00 0.26 0.54 -1.14 -1.11 0.00 0.00 175.55 174.11 2b8a s GLN 46 N -3.44 3.13 -0.06 -0.62 0.74 -1.20 -1.09 119.66 117.12 2b8a s GLN 46 Ca 0.42 -0.77 -0.03 0.00 0.05 0.00 0.00 55.36 55.03 2b8a s GLN 46 Cb -0.11 -4.02 -0.04 0.00 1.10 0.00 0.00 33.01 29.94 2b8a s GLN 46 CO 0.29 -1.03 0.09 0.08 -0.55 0.00 0.00 175.29 174.17 2b8a s VAL 47 N 2.42 4.94 -0.26 1.34 1.01 -0.11 -2.22 120.40 127.52 2b8a s VAL 47 Ca 0.15 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 2b8a s VAL 47 Cb -0.18 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2b8a s VAL 47 CO 0.14 0.50 0.11 0.12 0.00 0.00 0.00 175.10 175.96 2b8a s PHE 48 N -1.08 3.13 -0.46 5.22 5.36 -0.71 -2.43 117.98 127.01 2b8a s PHE 48 Ca 0.18 -0.24 -0.19 0.00 -0.96 0.00 0.00 56.93 55.72 2b8a s PHE 48 Cb -0.12 -2.28 0.04 0.00 -0.34 0.00 0.00 43.02 40.32 2b8a s PHE 48 CO 0.08 -0.28 0.60 -0.06 -1.46 0.00 0.00 175.22 174.10 2b8a s PHE 49 N 1.62 3.08 1.37 10.12 0.08 0.12 -2.24 117.98 132.13 2b8a s PHE 49 Ca 0.06 -0.30 -0.20 0.00 0.12 0.00 0.00 56.93 56.61 2b8a s PHE 49 Cb -0.15 -3.33 0.35 0.00 -0.57 0.00 0.00 43.02 39.32 2b8a s PHE 49 CO 0.06 -0.90 0.87 1.19 -0.10 0.00 0.00 175.22 176.34 2b8a n PHE 50 N 6.11 -2.96 0.00 0.36 3.72 -0.99 0.11 117.46 123.80 2b8a n PHE 50 Ca -0.05 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 2b8a n PHE 50 Cb 0.47 -1.45 0.00 0.00 -0.94 0.00 0.00 39.48 37.56 2b8a n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b8a n GLY 51 N 1.68 0.85 0.10 1.37 0.00 -1.26 -3.45 105.19 104.49 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 0.86 -2.81 2.61 -2.24 -1.24 -4.81 114.28 106.65 2b8a n THR 52 Ca 0.00 -0.62 -0.17 0.00 -2.27 0.00 0.00 64.05 60.99 2b8a n THR 52 Cb 0.00 -0.50 0.03 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 -2.75 -1.47 -3.27 4.78 -0.00 0.29 -4.99 115.22 107.80 2b8a n HIS 53 Ca -0.05 0.38 -0.30 0.00 -0.00 0.00 0.00 57.72 57.74 2b8a n HIS 53 Cb 0.69 -3.70 -0.04 0.00 -0.00 0.00 0.00 29.99 26.94 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 -5.39 3.75 0.05 -0.41 2.02 -0.80 -4.80 118.70 113.11 2b8a s GLU 54 Ca 0.22 0.24 0.09 0.00 0.02 0.00 0.00 54.97 55.53 2b8a s GLU 54 Cb -0.10 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 2b8a s GLU 54 CO 0.27 0.21 -0.25 0.95 0.02 0.00 0.00 175.26 176.46 2b8a s THR 55 N -2.02 2.00 0.19 3.63 -4.23 -1.26 0.13 115.64 114.09 2b8a s THR 55 Ca 0.47 -1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 59.46 2b8a s THR 55 Cb -0.11 -1.73 0.02 0.00 1.34 0.00 0.00 72.50 72.03 2b8a s THR 55 CO 0.26 0.30 0.49 0.00 -0.54 0.00 0.00 174.62 175.13 2b8a s ALA 56 N -0.82 -0.78 -0.76 3.99 0.00 -1.02 -5.01 121.76 117.37 2b8a s ALA 56 Ca 0.11 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 2b8a s ALA 56 Cb -0.10 0.86 0.20 0.00 0.00 0.00 0.00 23.12 24.08 2b8a s ALA 56 CO 0.02 -0.79 0.63 -0.06 0.00 0.00 0.00 175.76 175.57 2b8a s PHE 57 N -3.89 3.64 0.22 0.00 0.40 -1.25 -0.94 117.98 116.15 2b8a s PHE 57 Ca 0.11 -2.58 0.01 0.00 -0.60 0.00 0.00 56.93 53.88 2b8a s PHE 57 Cb -0.00 -3.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.08 2b8a s PHE 57 CO -0.02 -0.87 0.38 -0.51 0.70 0.00 0.00 175.22 174.91 2b8a s LEU 58 N -0.31 4.24 0.73 -0.37 1.02 -0.25 -4.67 118.68 119.07 2b8a s LEU 58 Ca 0.20 0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.65 2b8a s LEU 58 Cb -0.15 -3.07 0.14 0.00 0.02 0.00 0.00 46.19 43.14 2b8a s LEU 58 CO -0.07 -0.06 1.00 -0.83 0.02 0.00 0.00 176.35 176.41 2b8a s GLY 59 N -3.46 1.74 0.39 -3.19 0.00 -1.26 0.30 107.32 101.84 2b8a s GLY 59 Ca 0.37 -1.90 0.13 0.00 0.00 0.00 0.00 44.72 43.32 2b8a s GLY 59 CO 0.30 -1.29 1.87 -0.56 0.00 0.00 0.00 173.10 173.42 2b8a h PRO 60 N -0.52 0.01 0.00 2.90 0.13 -1.92 -2.35 132.00 130.25 2b8a h PRO 60 Ca -0.34 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 2b8a h PRO 60 Cb 1.26 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2b8a h PRO 60 CO 0.38 0.32 -0.08 0.87 -0.23 0.00 0.00 178.00 179.26 2b8a h LYS 61 N 0.01 0.00 -0.21 0.86 1.79 -1.99 -2.52 116.57 114.50 2b8a h LYS 61 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2b8a h LYS 61 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2b8a h LYS 61 CO 0.04 0.08 0.00 -0.25 -1.08 0.00 0.00 179.45 178.24 2b8a n ASP 62 N -3.24 3.18 -4.58 0.86 8.00 -0.90 -4.92 116.55 114.95 2b8a n ASP 62 Ca -0.00 -1.98 -0.34 0.00 0.71 0.00 0.00 54.79 53.18 2b8a n ASP 62 Cb 0.32 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.74 3.20 0.06 0.64 1.43 -0.95 -1.56 118.68 119.75 2b8a s LEU 63 Ca 0.34 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2b8a s LEU 63 Cb 0.21 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2b8a s LEU 63 CO 0.31 0.35 -0.07 -0.36 0.23 0.00 0.00 176.35 176.81 2b8a s PHE 64 N -0.74 0.70 -0.20 0.29 0.40 -0.12 -4.93 117.98 113.37 2b8a s PHE 64 Ca 0.11 -0.64 -0.29 0.00 -0.60 0.00 0.00 56.93 55.52 2b8a s PHE 64 Cb -0.11 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 2b8a s PHE 64 CO 0.02 -0.12 1.99 -2.14 0.70 0.00 0.00 175.22 175.66 2b8a s PRO 65 N -2.30 3.44 0.10 0.24 0.02 -1.26 -0.19 135.00 135.05 2b8a s PRO 65 Ca -0.04 1.93 -0.35 0.00 0.02 0.00 0.00 61.00 62.56 2b8a s PRO 65 Cb -0.05 -4.25 -0.15 0.00 0.02 0.00 0.00 34.50 30.08 2b8a s PRO 65 CO -0.02 -1.74 1.57 -0.92 -0.33 0.00 0.00 177.00 175.57 2b8a h TYR 66 N 13.16 -1.39 -0.92 6.54 3.20 -1.73 0.14 116.97 135.97 2b8a h TYR 66 Ca -0.39 0.02 0.20 0.00 3.14 0.00 0.00 58.73 61.70 2b8a h TYR 66 Cb 1.21 0.57 -0.11 0.00 1.54 0.00 0.00 36.73 39.93 2b8a h TYR 66 CO 0.94 -0.62 0.47 0.93 -1.64 0.00 0.00 178.16 178.25 2b8a h GLU 67 N -0.86 0.53 -0.37 1.82 5.08 -1.91 2.28 114.58 121.15 2b8a h GLU 67 Ca -0.03 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2b8a h GLU 67 Cb 0.80 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2b8a h GLU 67 CO -0.17 0.35 -0.41 1.49 -1.00 0.00 0.00 179.01 179.28 2b8a h GLU 68 N 0.55 0.92 -0.50 2.33 4.81 -1.82 -3.23 114.58 117.63 2b8a h GLU 68 Ca 0.55 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2b8a h GLU 68 Cb 0.96 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2b8a h GLU 68 CO -0.45 1.15 0.00 0.43 -0.73 0.00 0.00 179.01 179.41 2b8a n SER 69 N -4.05 3.71 -0.10 1.04 7.64 0.45 -4.60 113.62 117.71 2b8a n SER 69 Ca -0.02 -2.22 -0.06 0.00 1.01 0.00 0.00 58.87 57.58 2b8a n SER 69 Cb 0.56 -0.41 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 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 3.03 0.17 0.00 1.43 2.10 0.37 0.36 116.57 124.02 2b8a h LYS 70 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2b8a h LYS 70 Cb 1.04 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2b8a h LYS 70 CO 0.08 0.11 0.00 1.05 -2.00 0.00 0.00 179.45 178.69 2b8a h GLU 71 N 0.17 0.00 0.00 0.07 4.11 -1.82 0.81 114.58 117.93 2b8a h GLU 71 Ca 0.16 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.49 2b8a h GLU 71 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2b8a h GLU 71 CO -0.22 0.00 -0.57 -0.22 0.07 0.00 0.00 179.01 178.06 2b8a h LYS 72 N 0.00 0.00 -0.01 1.06 3.64 -1.43 -3.39 116.57 116.44 2b8a h LYS 72 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2b8a h LYS 72 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2b8a h LYS 72 CO 0.00 1.00 -0.38 1.19 -2.27 0.00 0.00 179.45 178.99 2b8a n PHE 73 N -4.53 0.00 -1.99 1.91 3.72 0.11 -4.76 117.46 111.92 2b8a n PHE 73 Ca -0.20 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 2b8a n PHE 73 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 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 1.26 4.26 3.24 1.37 0.00 0.28 -4.88 105.19 110.73 2b8a n GLY 74 Ca 0.08 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 2b8a n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b8a s LYS 75 N 2.65 0.67 0.79 1.61 2.20 -1.26 -4.85 119.74 121.55 2b8a s LYS 75 Ca 0.46 -0.16 -0.16 0.00 -0.36 0.00 0.00 55.97 55.76 2b8a s LYS 75 Cb 0.11 0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 36.68 2b8a s LYS 75 CO -0.05 -0.18 0.23 -2.30 -0.36 0.00 0.00 175.35 172.69 2b8a n PRO 76 N 1.32 0.10 -4.19 4.03 -0.02 -1.26 -4.84 135.00 130.15 2b8a n PRO 76 Ca -0.21 0.07 -0.11 0.00 -2.02 0.00 0.00 63.50 61.22 2b8a n PRO 76 Cb 0.56 -1.62 -0.10 0.00 -0.02 0.00 0.00 33.50 32.32 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 -1.46 0.66 0.21 2.55 0.01 -1.26 -5.01 114.94 110.64 2b8a s ASN 77 Ca 0.59 -1.20 0.24 0.00 -0.71 0.00 0.00 52.86 51.78 2b8a s ASN 77 Cb -0.31 0.23 0.42 0.00 0.41 0.00 0.00 41.25 42.00 2b8a s ASN 77 CO 0.65 -0.67 1.45 0.11 -1.51 0.00 0.00 177.10 177.12 2b8a h LYS 78 N 2.79 0.00 0.00 -0.60 1.79 -2.04 -3.25 116.57 115.26 2b8a h LYS 78 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2b8a h LYS 78 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2b8a h LYS 78 CO 0.60 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.51 2b8a n ARG 79 N -2.40 0.18 -1.47 3.15 5.12 -1.26 -4.97 116.66 115.01 2b8a n ARG 79 Ca 0.04 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 2b8a n ARG 79 Cb 0.47 -1.92 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 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 -2.27 -4.09 0.00 5.56 4.76 -1.23 -4.75 118.16 116.14 2b8a n LYS 80 Ca 0.01 3.09 0.00 0.00 -2.87 0.00 0.00 58.31 58.54 2b8a n LYS 80 Cb 0.15 -3.61 0.00 0.00 -1.84 0.00 0.00 35.03 29.73 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 -1.48 2.92 0.40 0.72 0.00 -1.26 -4.88 105.19 101.61 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 -0.95 -0.62 1.61 3.04 -1.89 -2.86 116.94 115.27 2b8a h PHE 82 Ca 0.00 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.04 2b8a h PHE 82 Cb 0.00 0.34 -0.08 0.00 2.56 0.00 0.00 35.95 38.77 2b8a h PHE 82 CO 0.00 -0.55 0.22 0.77 -2.02 0.00 0.00 178.31 176.73 2b8a h SER 83 N -0.90 0.20 -1.10 0.41 0.02 -1.90 0.98 113.55 111.27 2b8a h SER 83 Ca -0.07 0.09 0.31 0.00 -0.84 0.00 0.00 61.79 61.28 2b8a h SER 83 Cb 0.73 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 2b8a h SER 83 CO 0.08 0.11 0.78 -0.08 -1.14 0.00 0.00 176.83 176.58 2b8a h GLU 84 N 0.39 0.07 -0.02 3.45 4.81 -1.89 0.87 114.58 122.26 2b8a h GLU 84 Ca 0.32 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.39 2b8a h GLU 84 Cb 0.42 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2b8a h GLU 84 CO -0.33 0.05 -0.68 0.78 -0.73 0.00 0.00 179.01 178.09 2b8a h GLY 85 N 0.08 0.12 1.00 1.92 0.00 -0.63 -3.08 103.07 102.48 2b8a h GLY 85 Ca 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2b8a h GLY 85 CO -0.06 0.16 0.39 1.41 0.00 0.00 0.00 176.54 178.43 2b8a h LEU 86 N 0.08 0.74 -0.34 3.11 3.38 0.88 -1.13 115.31 122.02 2b8a h LEU 86 Ca -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2b8a h LEU 86 Cb 1.22 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2b8a h LEU 86 CO 0.10 0.57 0.14 -0.25 0.09 0.00 0.00 178.44 179.08 2b8a h TRP 87 N 0.85 0.52 0.08 1.13 7.01 -1.49 -3.04 115.95 121.01 2b8a h TRP 87 Ca 0.23 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 2b8a h TRP 87 Cb -0.05 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 2b8a h TRP 87 CO -0.02 0.49 -0.04 0.93 -2.79 0.00 0.00 178.44 177.00 2b8a h GLU 88 N 0.41 -0.10 -0.49 2.65 3.07 -1.41 0.81 114.58 119.52 2b8a h GLU 88 Ca 0.11 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.12 2b8a h GLU 88 Cb 0.18 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 2b8a h GLU 88 CO -0.01 0.06 0.50 0.97 -1.40 0.00 0.00 179.01 179.13 2b8a h ILE 89 N -0.25 0.38 0.00 3.13 2.10 -1.21 1.08 117.51 122.74 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 0.61 -0.07 0.00 -1.09 0.00 0.00 36.82 36.49 2b8a h ILE 89 CO 0.02 0.00 -2.48 -0.62 -1.08 0.00 0.00 178.15 173.99 2b8a n GLU 90 N -3.76 0.60 0.08 2.19 -0.58 -1.00 -4.17 120.64 114.00 2b8a n GLU 90 Ca 0.09 0.20 -0.12 0.00 -0.42 0.00 0.00 57.16 56.91 2b8a n GLU 90 Cb 0.69 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.96 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 -0.46 0.24 -1.24 1.62 2.35 0.97 -3.43 115.58 115.63 2b8a h ASN 91 Ca -0.62 -0.25 -0.14 0.00 -0.55 0.00 0.00 56.30 54.74 2b8a h ASN 91 Cb 1.75 -0.08 -0.22 0.00 0.05 0.00 0.00 38.32 39.82 2b8a h ASN 91 CO -0.24 1.17 -0.51 0.20 -1.65 0.00 0.00 177.43 176.40 2b8a s ASN 92 N -6.95 -0.85 0.06 5.81 -0.87 0.37 -5.00 114.94 107.51 2b8a s ASN 92 Ca -0.02 -0.96 0.26 0.00 -1.57 0.00 0.00 52.86 50.57 2b8a s ASN 92 Cb 0.09 1.61 1.04 0.00 -0.02 0.00 0.00 41.25 43.97 2b8a s ASN 92 CO 0.85 -0.20 1.82 -0.81 -2.57 0.00 0.00 177.10 176.19 2b8a n PRO 93 N 4.40 0.07 -0.41 -0.60 -0.04 -1.06 -3.11 135.00 134.26 2b8a n PRO 93 Ca 0.11 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.76 2b8a n PRO 93 Cb 0.54 -1.59 0.26 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.71 1.60 -1.87 0.52 -2.24 -1.26 -4.96 114.28 104.36 2b8a n THR 94 Ca 0.06 -1.27 -0.36 0.00 -2.27 0.00 0.00 64.05 60.21 2b8a n THR 94 Cb 0.33 0.20 0.05 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.72 2.42 0.16 2.28 0.11 -1.18 -5.04 120.40 117.43 2b8a s VAL 95 Ca 0.40 0.25 -0.09 0.00 -2.93 0.00 0.00 61.98 59.61 2b8a s VAL 95 Cb 0.26 -3.07 -0.01 0.00 -1.53 0.00 0.00 36.38 32.03 2b8a s VAL 95 CO 0.19 -0.06 0.28 -0.54 -3.33 0.00 0.00 175.10 171.64 2b8a s LYS 96 N -3.41 1.15 -1.09 1.54 -0.14 -1.26 -5.09 119.74 111.43 2b8a s LYS 96 Ca 0.79 -1.17 -0.06 0.00 -1.36 0.00 0.00 55.97 54.16 2b8a s LYS 96 Cb -0.32 0.38 0.29 0.00 -1.68 0.00 0.00 37.83 36.49 2b8a s LYS 96 CO 0.36 -0.42 1.27 0.00 -0.76 0.00 0.00 175.35 175.80 2b8a n ALA 97 N -0.21 4.64 -3.20 5.17 0.00 -1.26 -4.87 120.51 120.78 2b8a n ALA 97 Ca -0.07 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.64 2b8a n ALA 97 Cb 0.63 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 2b8a n ALA 97 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2b8a s SER 98 N -0.14 -1.23 0.00 0.00 0.01 -1.26 -5.16 113.70 105.92 2b8a s SER 98 Ca 0.31 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2b8a s SER 98 Cb -0.03 1.83 0.00 0.00 0.21 0.00 0.00 66.02 68.03 2b8a s SER 98 CO 0.00 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2b8a n GLY 99 N 5.01 -1.97 2.03 3.44 0.00 -1.26 -5.07 105.19 107.37 2b8a n GLY 99 Ca 0.07 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2b8a n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2b8a n TYR 100 N -0.32 -2.62 -3.60 1.61 4.19 -1.26 -5.06 117.16 110.09 2b8a n TYR 100 Ca 0.00 0.57 -0.40 0.00 3.31 0.00 0.00 57.90 61.37 2b8a n TYR 100 Cb 0.00 1.06 -0.11 0.00 0.49 0.00 0.00 39.34 40.78 2b8a n TYR 100 CO 0.00 0.00 0.00 -1.14 0.91 0.00 0.00 176.86 176.63 2b8a s GLN 101 N -1.86 2.78 -0.01 2.98 0.74 -1.26 -5.07 119.66 117.96 2b8a s GLN 101 Ca 0.00 -1.14 -0.23 0.00 0.05 0.00 0.00 55.36 54.04 2b8a s GLN 101 Cb 0.00 -3.73 -0.05 0.00 1.10 0.00 0.00 33.01 30.33 2b8a s GLN 101 CO 0.00 -0.74 0.68 -1.54 -0.55 0.00 0.00 175.29 173.14 2b8a s SER 102 N 1.63 7.05 -0.08 6.67 1.04 -1.26 -4.96 113.70 123.80 2b8a s SER 102 Ca 0.02 1.26 0.11 0.00 0.48 0.00 0.00 55.95 57.82 2b8a s SER 102 Cb -0.20 -2.41 -0.24 0.00 0.10 0.00 0.00 66.02 63.27 2b8a s SER 102 CO 0.06 0.00 0.53 -1.20 0.98 0.00 0.00 173.24 173.61 2b8a n SER 103 N 3.11 0.88 -1.38 7.02 7.64 -1.26 -5.09 113.62 124.54 2b8a n SER 103 Ca -0.04 0.33 0.17 0.00 1.01 0.00 0.00 58.87 60.34 2b8a n SER 103 Cb 0.51 0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 2b8a n SER 103 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2b8a n GLN 104 N -3.05 -3.18 -3.98 1.43 7.27 -1.26 -5.03 117.38 109.58 2b8a n GLN 104 Ca -0.21 2.57 -0.08 0.00 0.07 0.00 0.00 57.00 59.35 2b8a n GLN 104 Cb 1.07 -3.72 -0.08 0.00 2.41 0.00 0.00 30.24 29.91 2b8a n GLN 104 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2b8a s LYS 105 N -4.10 0.80 -0.10 3.69 1.02 -1.26 -5.15 119.74 114.65 2b8a s LYS 105 Ca 0.00 -1.13 -0.19 0.00 0.02 0.00 0.00 55.97 54.67 2b8a s LYS 105 Cb 0.00 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 2b8a s LYS 105 CO 0.00 -0.23 0.52 0.15 -0.92 0.00 0.00 175.35 174.87 2b8a s LYS 106 N -3.91 4.34 0.04 1.68 3.01 -1.26 -5.07 119.74 118.57 2b8a s LYS 106 Ca 0.09 0.54 -0.01 0.00 -1.01 0.00 0.00 55.97 55.58 2b8a s LYS 106 Cb 0.06 -3.43 -0.03 0.00 -1.01 0.00 0.00 37.83 33.43 2b8a s LYS 106 CO -0.08 0.17 -0.02 0.45 0.51 0.00 0.00 175.35 176.38 2b8a s SER 107 N 0.55 0.36 0.29 2.83 0.15 -1.26 -5.17 113.70 111.44 2b8a s SER 107 Ca 0.28 -0.74 0.11 0.00 0.70 0.00 0.00 55.95 56.30 2b8a s SER 107 Cb -0.16 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.25 2b8a s SER 107 CO 0.12 -0.45 -0.16 0.00 1.20 0.00 0.00 173.24 173.95 2b8a s ALA 109 N -2.61 0.60 0.00 0.00 0.00 -1.26 -5.34 121.76 113.15 2b8a s ALA 109 Ca 0.30 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2b8a s ALA 109 Cb -0.02 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2b8a s ALA 109 CO 0.14 -2.07 0.48 -1.91 0.00 0.00 0.00 175.76 172.40