#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 -0.32 0.51 7.83 0.15 -1.26 -5.17 113.70 115.44 2b8a s SER 2 Ca 0.00 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 2b8a s SER 2 Cb 0.00 0.54 -0.08 0.00 -1.71 0.00 0.00 66.02 64.78 2b8a s SER 2 CO 0.00 -0.95 1.00 -0.60 1.20 0.00 0.00 173.24 173.89 2b8a s ARG 3 N -3.49 3.86 0.00 5.44 3.00 -1.26 -4.97 118.95 121.53 2b8a s ARG 3 Ca 0.08 1.07 0.00 0.00 -1.00 0.00 0.00 55.73 55.87 2b8a s ARG 3 Cb -0.02 -2.12 0.00 0.00 0.00 0.00 0.00 34.95 32.81 2b8a s ARG 3 CO -0.03 -0.35 0.00 0.45 0.00 0.00 0.00 175.30 175.38 2b8a n SER 4 N -1.46 0.00 -2.23 -2.12 2.88 -1.26 -5.02 113.62 104.41 2b8a n SER 4 Ca 0.07 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.44 2b8a n SER 4 Cb 0.54 0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 64.13 2b8a n SER 4 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2b8a n ASN 5 N -2.39 -4.94 -2.80 -3.46 2.85 -1.26 -3.60 115.26 99.66 2b8a n ASN 5 Ca 0.00 0.15 -0.01 0.00 -0.11 0.00 0.00 54.58 54.61 2b8a n ASN 5 Cb 0.00 -4.20 0.00 0.00 1.24 0.00 0.00 39.78 36.82 2b8a n ASN 5 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2b8a n ARG 6 N -2.76 -3.02 -4.01 1.20 1.74 -1.26 -4.99 116.66 103.55 2b8a n ARG 6 Ca -0.20 2.49 -0.35 0.00 -0.77 0.00 0.00 57.85 59.02 2b8a n ARG 6 Cb 0.64 -4.86 -0.13 0.00 -1.02 0.00 0.00 32.46 27.08 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 -1.66 3.54 0.20 5.56 -0.21 -1.24 -5.08 119.66 120.77 2b8a s GLN 7 Ca 0.03 -0.56 -0.32 0.00 0.02 0.00 0.00 55.36 54.53 2b8a s GLN 7 Cb -0.01 -3.07 -0.12 0.00 1.00 0.00 0.00 33.01 30.82 2b8a s GLN 7 CO 0.69 -0.07 1.73 0.36 -2.12 0.00 0.00 175.29 175.88 2b8a n LYS 8 N 4.47 2.75 -3.63 2.91 0.00 -1.26 -4.98 118.16 118.41 2b8a n LYS 8 Ca -0.17 0.99 -0.38 0.00 -0.00 0.00 0.00 58.31 58.75 2b8a n LYS 8 Cb 0.51 -2.84 -0.06 0.00 -0.00 0.00 0.00 35.03 32.65 2b8a n LYS 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2b8a s GLU 9 N 1.27 3.76 0.25 -1.58 8.01 -1.26 -4.98 118.70 124.17 2b8a s GLU 9 Ca 0.76 0.23 0.10 0.00 0.01 0.00 0.00 54.97 56.06 2b8a s GLU 9 Cb -0.51 -3.21 -0.04 0.00 -4.31 0.00 0.00 34.13 26.05 2b8a s GLU 9 CO 0.33 0.72 -0.04 0.71 0.01 0.00 0.00 175.26 176.99 2b8a s TYR 10 N -1.04 2.65 0.11 1.61 2.02 -1.26 -5.15 117.35 116.29 2b8a s TYR 10 Ca 0.21 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 2b8a s TYR 10 Cb -0.15 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2b8a s TYR 10 CO 0.10 0.61 -0.08 0.15 -1.57 0.00 0.00 175.55 174.76 2b8a s LYS 11 N -3.48 0.87 0.14 -0.62 -0.14 -1.26 -5.08 119.74 110.17 2b8a s LYS 11 Ca 0.30 -1.31 -0.35 0.00 -1.36 0.00 0.00 55.97 53.25 2b8a s LYS 11 Cb -0.07 -0.34 -0.15 0.00 -1.68 0.00 0.00 37.83 35.59 2b8a s LYS 11 CO 0.19 0.02 1.44 0.00 -0.76 0.00 0.00 175.35 176.23 2b8a n GLY 13 N 2.86 1.26 3.76 0.00 0.00 0.11 -4.95 105.19 108.23 2b8a n GLY 13 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.21 7.03 -0.32 1.61 -1.08 -0.25 -4.70 116.67 116.75 2b8a s ASP 14 Ca 0.00 2.43 -0.20 0.00 -0.52 0.00 0.00 52.55 54.26 2b8a s ASP 14 Cb 0.00 -2.63 -0.01 0.00 -1.46 0.00 0.00 42.92 38.82 2b8a s ASP 14 CO 0.00 -0.35 0.61 -0.76 0.52 0.00 0.00 175.17 175.19 2b8a s LEU 15 N -1.29 4.20 0.22 -1.34 1.43 -1.26 -0.57 118.68 120.07 2b8a s LEU 15 Ca 0.48 0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.86 2b8a s LEU 15 Cb -0.35 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 2b8a s LEU 15 CO 0.44 -0.50 0.14 0.68 0.23 0.00 0.00 176.35 177.34 2b8a s VAL 16 N 2.59 0.06 -0.08 -1.59 -7.23 -0.02 -1.87 120.40 112.26 2b8a s VAL 16 Ca 0.24 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2b8a s VAL 16 Cb -0.15 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2b8a s VAL 16 CO 0.13 0.00 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.49 2b8a s PHE 17 N -4.06 2.93 -0.21 2.82 0.08 -0.34 -0.89 117.98 118.32 2b8a s PHE 17 Ca 0.39 -0.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.37 2b8a s PHE 17 Cb 0.07 -1.74 -0.00 0.00 -0.57 0.00 0.00 43.02 40.78 2b8a s PHE 17 CO 0.13 0.27 -0.09 0.00 -0.10 0.00 0.00 175.22 175.44 2b8a s ALA 18 N -0.64 2.68 -0.14 5.36 0.00 -1.04 -1.80 121.76 126.18 2b8a s ALA 18 Ca 0.10 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 2b8a s ALA 18 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2b8a s ALA 18 CO 0.02 -0.38 0.41 0.21 0.00 0.00 0.00 175.76 176.01 2b8a s LYS 19 N 1.39 4.29 0.29 0.00 2.36 -0.90 -1.94 119.74 125.24 2b8a s LYS 19 Ca 0.05 0.30 0.11 0.00 -2.55 0.00 0.00 55.97 53.89 2b8a s LYS 19 Cb -0.14 -3.45 -0.05 0.00 -1.05 0.00 0.00 37.83 33.14 2b8a s LYS 19 CO -0.05 0.15 -0.15 -1.64 1.55 0.00 0.00 175.35 175.20 2b8a s MET 20 N 0.69 1.78 -0.09 4.03 -1.94 -1.24 -4.91 119.30 117.62 2b8a s MET 20 Ca 0.22 -1.77 -0.30 0.00 -1.71 0.00 0.00 55.69 52.14 2b8a s MET 20 Cb -0.14 -1.80 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 2b8a s MET 20 CO 0.08 0.29 1.56 0.21 -0.01 0.00 0.00 175.02 177.14 2b8a s LYS 21 N -3.55 4.17 0.00 2.03 2.20 -1.26 -2.20 119.74 121.13 2b8a s LYS 21 Ca 0.31 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 2b8a s LYS 21 Cb -0.04 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 2b8a s LYS 21 CO 0.16 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 2b8a n GLY 22 N 4.03 1.48 3.24 5.54 0.00 -1.26 -5.02 105.19 113.21 2b8a n GLY 22 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.21 1.54 0.60 1.61 2.02 -0.93 -5.15 117.35 113.82 2b8a s TYR 23 Ca 0.00 -0.45 -0.10 0.00 -0.37 0.00 0.00 57.07 56.16 2b8a s TYR 23 Cb 0.00 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 2b8a s TYR 23 CO 0.00 0.15 0.98 -1.25 -1.57 0.00 0.00 175.55 173.86 2b8a s PRO 24 N -1.94 3.47 -0.31 -1.71 0.04 -1.26 -3.58 135.00 129.70 2b8a s PRO 24 Ca 0.04 0.57 -0.38 0.00 0.04 0.00 0.00 61.00 61.26 2b8a s PRO 24 Cb -0.09 -2.14 -0.14 0.00 0.04 0.00 0.00 34.50 32.16 2b8a s PRO 24 CO 0.03 -0.55 1.96 0.72 0.04 0.00 0.00 177.00 179.20 2b8a n HIS 25 N -2.67 1.84 -3.71 0.56 8.25 -1.26 -4.61 115.22 113.61 2b8a n HIS 25 Ca 0.05 0.42 -0.36 0.00 -0.26 0.00 0.00 57.72 57.56 2b8a n HIS 25 Cb 0.55 -2.49 -0.07 0.00 1.12 0.00 0.00 29.99 29.10 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 5.21 3.50 -0.11 4.41 -0.11 -0.82 -4.84 118.94 126.18 2b8a s TRP 26 Ca 1.04 0.49 -0.34 0.00 1.22 0.00 0.00 56.10 58.51 2b8a s TRP 26 Cb -1.00 -2.15 -0.12 0.00 -1.50 0.00 0.00 33.47 28.71 2b8a s TRP 26 CO 0.59 0.43 1.91 -0.35 -4.62 0.00 0.00 176.95 174.90 2b8a n PRO 27 N 2.99 2.12 -4.15 5.86 -0.04 -1.26 -2.49 135.00 138.02 2b8a n PRO 27 Ca -0.16 0.77 -0.14 0.00 -0.04 0.00 0.00 63.50 63.92 2b8a n PRO 27 Cb 0.53 -2.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.38 0.97 0.05 0.55 0.00 -0.07 -2.34 121.76 125.31 2b8a s ALA 28 Ca 0.94 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 2b8a s ALA 28 Cb -0.69 1.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 2b8a s ALA 28 CO 0.51 -0.71 0.07 0.50 0.00 0.00 0.00 175.76 176.13 2b8a s ARG 29 N -3.62 0.62 0.15 0.00 3.52 -0.96 -0.84 118.95 117.81 2b8a s ARG 29 Ca 0.34 -0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 2b8a s ARG 29 Cb 0.02 0.23 -0.07 0.00 -1.56 0.00 0.00 34.95 33.58 2b8a s ARG 29 CO 0.18 -0.15 0.99 0.42 -0.81 0.00 0.00 175.30 175.93 2b8a s ILE 30 N -3.09 4.27 0.00 4.11 -1.09 0.27 -1.81 121.20 123.86 2b8a s ILE 30 Ca -0.01 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 2b8a s ILE 30 Cb 0.02 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 2b8a s ILE 30 CO -0.07 0.34 0.00 -0.67 -1.23 0.00 0.00 174.94 173.31 2b8a n ASP 31 N 2.47 3.35 -3.65 3.58 2.03 -0.87 0.10 116.55 123.56 2b8a n ASP 31 Ca 0.02 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.27 2b8a n ASP 31 Cb 0.48 0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 41.48 2b8a n ASP 31 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2b8a s GLU 32 N -1.39 1.07 0.10 -0.67 2.02 -1.21 -4.90 118.70 113.71 2b8a s GLU 32 Ca 0.00 -0.52 -0.18 0.00 0.02 0.00 0.00 54.97 54.29 2b8a s GLU 32 Cb 0.00 0.41 0.04 0.00 0.10 0.00 0.00 34.13 34.68 2b8a s GLU 32 CO 0.00 -0.48 0.43 0.00 0.02 0.00 0.00 175.26 175.23 2b8a s MET 33 N -3.25 1.04 0.68 1.61 0.23 -1.26 -2.13 119.30 116.22 2b8a s MET 33 Ca 0.09 -0.56 -0.11 0.00 -1.03 0.00 0.00 55.69 54.07 2b8a s MET 33 Cb -0.01 0.46 -0.00 0.00 -1.53 0.00 0.00 34.83 33.75 2b8a s MET 33 CO -0.03 -0.40 1.07 -1.25 -2.03 0.00 0.00 175.02 172.38 2b8a s PRO 34 N -3.35 3.06 -0.16 3.16 0.04 -1.26 -5.01 135.00 131.46 2b8a s PRO 34 Ca 0.00 0.68 0.13 0.00 0.04 0.00 0.00 61.00 61.84 2b8a s PRO 34 Cb 0.01 -2.03 -0.19 0.00 0.04 0.00 0.00 34.50 32.33 2b8a s PRO 34 CO -0.09 -0.94 0.03 -0.85 0.04 0.00 0.00 177.00 175.19 2b8a n GLU 35 N -2.98 1.27 0.00 4.56 -0.00 -1.26 -4.94 120.64 117.29 2b8a n GLU 35 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.23 2b8a n GLU 35 Cb 0.55 -1.41 0.00 0.00 -0.00 0.00 0.00 31.44 30.58 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 -2.66 0.00 0.06 -1.84 0.00 -1.26 -5.05 120.51 109.77 2b8a n ALA 36 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2b8a n ALA 36 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 -1.06 1.38 -1.15 0.00 0.00 -1.26 -4.96 120.51 113.46 2b8a n ALA 37 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2b8a n ALA 37 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2b8a n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2b8a n VAL 38 N -2.81 0.00 0.00 0.00 0.31 -1.26 -3.01 118.33 111.56 2b8a n VAL 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2b8a n VAL 38 Cb 0.00 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 2b8a n VAL 38 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2b8a n LYS 39 N -0.79 0.00 -1.26 5.55 4.76 -1.26 -4.09 118.16 121.07 2b8a n LYS 39 Ca -0.05 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.06 2b8a n LYS 39 Cb 0.43 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.56 2b8a n LYS 39 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2b8a n SER 40 N 0.93 7.88 0.00 4.39 7.64 -1.26 -3.12 113.62 130.08 2b8a n SER 40 Ca 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.31 2b8a n SER 40 Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 2b8a n SER 40 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2b8a n THR 41 N 3.23 0.00 0.00 0.44 -1.04 -1.25 -5.08 114.28 110.58 2b8a n THR 41 Ca 0.69 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.70 2b8a n THR 41 Cb 0.40 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 2b8a n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b8a n ALA 42 N -0.08 0.00 -2.74 2.41 0.00 -1.16 -0.63 120.51 118.32 2b8a n ALA 42 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2b8a n ALA 42 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 0.69 -1.17 -4.04 0.00 3.02 -1.26 -4.57 115.26 107.92 2b8a n ASN 43 Ca 0.00 -2.81 -0.10 0.00 -0.03 0.00 0.00 54.58 51.64 2b8a n ASN 43 Cb 0.00 0.80 -0.11 0.00 -0.61 0.00 0.00 39.78 39.86 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 -0.60 0.48 0.38 3.52 1.02 0.20 -4.78 119.74 119.96 2b8a s LYS 44 Ca 0.24 -0.82 -0.00 0.00 0.02 0.00 0.00 55.97 55.42 2b8a s LYS 44 Cb 0.38 -0.05 -0.03 0.00 -0.52 0.00 0.00 37.83 37.62 2b8a s LYS 44 CO -0.06 -0.02 0.59 0.71 -0.92 0.00 0.00 175.35 175.65 2b8a s TYR 45 N -1.97 3.47 -0.42 3.18 1.51 -0.11 -4.41 117.35 118.60 2b8a s TYR 45 Ca -0.08 0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 56.21 2b8a s TYR 45 Cb -0.06 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 2b8a s TYR 45 CO -0.02 0.02 0.34 -1.14 -1.11 0.00 0.00 175.55 173.64 2b8a s GLN 46 N -4.40 3.00 -0.07 -0.62 0.74 -0.91 -2.16 119.66 115.24 2b8a s GLN 46 Ca 0.42 -0.97 -0.03 0.00 0.05 0.00 0.00 55.36 54.82 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 0.37 -0.79 0.07 0.08 -0.55 0.00 0.00 175.29 174.47 2b8a s VAL 47 N 1.80 4.81 -0.24 1.34 1.01 -0.59 -2.05 120.40 126.47 2b8a s VAL 47 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 2b8a s VAL 47 Cb -0.19 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2b8a s VAL 47 CO 0.11 0.54 0.08 0.12 0.00 0.00 0.00 175.10 175.95 2b8a s PHE 48 N -1.02 3.12 -0.49 5.22 5.36 -0.75 -2.55 117.98 126.87 2b8a s PHE 48 Ca 0.17 -0.29 -0.20 0.00 -0.96 0.00 0.00 56.93 55.65 2b8a s PHE 48 Cb -0.12 -2.23 0.05 0.00 -0.34 0.00 0.00 43.02 40.38 2b8a s PHE 48 CO 0.06 -0.27 0.63 -0.06 -1.46 0.00 0.00 175.22 174.12 2b8a s PHE 49 N 1.47 3.05 1.35 10.12 0.08 0.11 -2.27 117.98 131.88 2b8a s PHE 49 Ca 0.06 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 56.50 2b8a s PHE 49 Cb -0.15 -3.48 0.33 0.00 -0.57 0.00 0.00 43.02 39.15 2b8a s PHE 49 CO 0.04 -0.99 0.79 1.19 -0.10 0.00 0.00 175.22 176.15 2b8a n PHE 50 N 6.22 -3.01 0.00 0.36 3.72 -0.99 0.11 117.46 123.87 2b8a n PHE 50 Ca -0.05 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 2b8a n PHE 50 Cb 0.46 -1.43 0.00 0.00 -0.94 0.00 0.00 39.48 37.57 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 1.81 0.86 0.10 1.37 0.00 -1.26 -3.42 105.19 104.65 2b8a n GLY 51 Ca 0.10 -0.01 0.06 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 0.79 -2.89 2.61 -2.24 -1.23 -4.79 114.28 106.52 2b8a n THR 52 Ca 0.00 -0.61 -0.18 0.00 -2.27 0.00 0.00 64.05 60.99 2b8a n THR 52 Cb 0.00 -0.46 0.03 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.63 -3.20 4.78 -0.00 0.30 -4.99 115.22 107.77 2b8a n HIS 53 Ca -0.05 0.44 -0.30 0.00 -0.00 0.00 0.00 57.72 57.81 2b8a n HIS 53 Cb 0.68 -3.88 -0.04 0.00 -0.00 0.00 0.00 29.99 26.75 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 -5.50 3.72 0.01 -0.41 2.02 -0.81 -4.80 118.70 112.92 2b8a s GLU 54 Ca 0.25 0.22 0.07 0.00 0.02 0.00 0.00 54.97 55.53 2b8a s GLU 54 Cb -0.11 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 2b8a s GLU 54 CO 0.31 0.15 -0.22 0.95 0.02 0.00 0.00 175.26 176.48 2b8a s THR 55 N -2.12 1.74 0.27 3.63 -4.23 -1.26 0.04 115.64 113.71 2b8a s THR 55 Ca 0.47 -1.04 -0.16 0.00 -1.18 0.00 0.00 61.69 59.78 2b8a s THR 55 Cb -0.11 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.27 2b8a s THR 55 CO 0.28 0.40 0.58 0.00 -0.54 0.00 0.00 174.62 175.34 2b8a s ALA 56 N -0.61 -0.59 -0.17 3.99 0.00 -1.06 -5.02 121.76 118.30 2b8a s ALA 56 Ca 0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 2b8a s ALA 56 Cb -0.09 0.98 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 2b8a s ALA 56 CO 0.00 -0.93 -0.06 -0.06 0.00 0.00 0.00 175.76 174.71 2b8a s PHE 57 N -3.89 2.94 0.08 0.00 0.40 -1.26 -1.54 117.98 114.70 2b8a s PHE 57 Ca 0.18 -0.63 -0.00 0.00 -0.60 0.00 0.00 56.93 55.88 2b8a s PHE 57 Cb -0.03 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 2b8a s PHE 57 CO 0.09 -0.27 -0.03 -0.51 0.70 0.00 0.00 175.22 175.20 2b8a s LEU 58 N 0.78 2.40 0.73 -0.37 1.43 -0.92 -4.90 118.68 117.83 2b8a s LEU 58 Ca -0.03 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 2b8a s LEU 58 Cb -0.15 0.14 0.14 0.00 0.03 0.00 0.00 46.19 46.35 2b8a s LEU 58 CO 0.02 -0.58 1.01 -0.83 0.23 0.00 0.00 176.35 176.19 2b8a s GLY 59 N -2.97 1.74 0.44 -3.19 0.00 -1.26 -0.94 107.32 101.14 2b8a s GLY 59 Ca 0.11 -1.92 0.19 0.00 0.00 0.00 0.00 44.72 43.09 2b8a s GLY 59 CO -0.07 -1.31 1.94 -2.55 0.00 0.00 0.00 173.10 171.12 2b8a h PRO 60 N -0.53 0.00 0.00 2.90 0.11 -1.92 -2.36 132.00 130.20 2b8a h PRO 60 Ca -0.34 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 2b8a h PRO 60 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2b8a h PRO 60 CO 0.37 0.24 -0.15 0.87 -0.21 0.00 0.00 178.00 179.11 2b8a h LYS 61 N 0.00 0.00 -0.52 1.05 1.57 -1.95 -2.52 116.57 114.20 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 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2b8a h LYS 61 CO 0.03 0.15 0.00 -0.25 -0.57 0.00 0.00 179.45 178.81 2b8a n ASP 62 N -3.39 3.49 -4.42 0.86 8.00 -0.89 -4.91 116.55 115.29 2b8a n ASP 62 Ca -0.00 -1.98 -0.32 0.00 0.71 0.00 0.00 54.79 53.19 2b8a n ASP 62 Cb 0.35 -0.34 -0.14 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.27 2.49 0.11 0.64 1.43 -0.95 -2.11 118.68 119.03 2b8a s LEU 63 Ca 0.42 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2b8a s LEU 63 Cb 0.23 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 2b8a s LEU 63 CO 0.31 0.34 -0.03 -0.36 0.23 0.00 0.00 176.35 176.84 2b8a s PHE 64 N -0.69 0.91 -0.37 0.29 0.40 -0.74 -4.92 117.98 112.86 2b8a s PHE 64 Ca 0.11 -0.99 -0.29 0.00 -0.60 0.00 0.00 56.93 55.16 2b8a s PHE 64 Cb -0.10 -0.54 -0.00 0.00 0.51 0.00 0.00 43.02 42.89 2b8a s PHE 64 CO -0.00 -0.23 1.61 -2.14 0.70 0.00 0.00 175.22 175.16 2b8a s PRO 65 N -3.89 3.45 0.14 0.24 0.02 -1.26 -1.20 135.00 132.50 2b8a s PRO 65 Ca 0.15 1.18 -0.31 0.00 0.02 0.00 0.00 61.00 62.05 2b8a s PRO 65 Cb 0.06 -4.11 -0.07 0.00 0.02 0.00 0.00 34.50 30.40 2b8a s PRO 65 CO -0.03 -1.72 1.56 -0.92 -0.33 0.00 0.00 177.00 175.57 2b8a h TYR 66 N 11.80 -1.52 -0.97 6.54 3.20 -1.66 0.17 116.97 134.54 2b8a h TYR 66 Ca -0.31 0.07 0.17 0.00 3.14 0.00 0.00 58.73 61.81 2b8a h TYR 66 Cb 1.14 0.71 -0.09 0.00 1.54 0.00 0.00 36.73 40.03 2b8a h TYR 66 CO 0.96 -0.48 0.61 0.93 -1.64 0.00 0.00 178.16 178.54 2b8a h GLU 67 N -0.40 0.70 -0.31 1.82 3.07 -1.91 1.24 114.58 118.78 2b8a h GLU 67 Ca 0.09 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.73 2b8a h GLU 67 Cb 0.61 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2b8a h GLU 67 CO -0.56 0.46 -0.50 0.93 -1.40 0.00 0.00 179.01 177.94 2b8a h GLU 68 N 0.72 0.89 -0.55 2.33 4.39 -1.48 -3.25 114.58 117.63 2b8a h GLU 68 Ca 0.52 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2b8a h GLU 68 Cb 0.85 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 2b8a h GLU 68 CO -0.28 1.18 0.00 0.43 -1.16 0.00 0.00 179.01 179.17 2b8a n SER 69 N -4.02 3.77 -0.06 1.42 7.64 0.41 -4.59 113.62 118.19 2b8a n SER 69 Ca -0.04 -2.16 -0.08 0.00 1.01 0.00 0.00 58.87 57.61 2b8a n SER 69 Cb 0.61 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 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 3.31 0.06 -0.28 1.43 3.64 0.15 0.89 116.57 125.77 2b8a h LYS 70 Ca 0.00 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2b8a h LYS 70 Cb 1.03 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2b8a h LYS 70 CO 0.06 0.04 -0.25 0.93 -2.27 0.00 0.00 179.45 177.96 2b8a h GLU 71 N 0.06 0.54 0.13 1.90 5.08 -1.82 1.21 114.58 121.68 2b8a h GLU 71 Ca 0.11 -0.21 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 2b8a h GLU 71 Cb 0.15 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.38 2b8a h GLU 71 CO -0.20 0.75 -1.21 1.57 -1.00 0.00 0.00 179.01 178.92 2b8a h LYS 72 N 0.47 0.28 0.00 2.33 2.10 -1.77 -3.38 116.57 116.60 2b8a h LYS 72 Ca 0.07 -0.48 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2b8a h LYS 72 Cb 0.69 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 2b8a h LYS 72 CO 0.05 1.23 -1.43 1.19 -2.00 0.00 0.00 179.45 178.49 2b8a n PHE 73 N -3.98 0.30 -2.21 0.07 3.72 0.31 -4.67 117.46 110.99 2b8a n PHE 73 Ca -0.21 0.09 -0.43 0.00 -0.05 0.00 0.00 57.45 56.85 2b8a n PHE 73 Cb 0.88 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 1.29 3.96 3.19 1.37 0.00 0.41 -4.89 105.19 110.52 2b8a n GLY 74 Ca -0.01 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 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 2.58 0.63 0.66 1.61 1.02 -1.26 -4.79 119.74 120.18 2b8a s LYS 75 Ca 0.46 -0.40 -0.17 0.00 0.02 0.00 0.00 55.97 55.88 2b8a s LYS 75 Cb 0.09 0.27 -0.06 0.00 -0.52 0.00 0.00 37.83 37.61 2b8a s LYS 75 CO -0.02 -0.17 0.54 -2.30 -0.92 0.00 0.00 175.35 172.48 2b8a n PRO 76 N 1.11 0.42 -4.27 -1.68 -0.02 -1.26 -4.84 135.00 124.46 2b8a n PRO 76 Ca -0.21 0.18 -0.15 0.00 -2.02 0.00 0.00 63.50 61.30 2b8a n PRO 76 Cb 0.57 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.15 2b8a n PRO 76 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2b8a s ASN 77 N -1.33 0.84 0.13 2.55 3.84 -1.26 -5.03 114.94 114.67 2b8a s ASN 77 Ca 0.67 -1.36 0.24 0.00 0.21 0.00 0.00 52.86 52.62 2b8a s ASN 77 Cb -0.39 0.23 0.33 0.00 -0.55 0.00 0.00 41.25 40.87 2b8a s ASN 77 CO 0.56 -0.75 1.31 0.50 -2.79 0.00 0.00 177.10 175.93 2b8a h LYS 78 N 2.51 0.00 0.00 0.43 3.11 -2.05 -3.30 116.57 117.27 2b8a h LYS 78 Ca -0.37 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.47 2b8a h LYS 78 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 2b8a h LYS 78 CO 0.59 0.00 0.00 0.54 -2.81 0.00 0.00 179.45 177.77 2b8a n ARG 79 N -2.15 0.18 -1.45 1.90 5.12 -1.26 -4.97 116.66 114.04 2b8a n ARG 79 Ca 0.03 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.47 2b8a n ARG 79 Cb 0.45 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 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 -2.28 -4.13 0.00 5.56 4.76 -1.25 -4.77 118.16 116.06 2b8a n LYS 80 Ca 0.01 3.09 0.00 0.00 -2.87 0.00 0.00 58.31 58.53 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 -1.04 2.54 0.45 0.72 0.00 -1.26 -4.91 105.19 101.69 2b8a n GLY 81 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.10 -0.66 1.61 3.04 -1.89 -2.89 116.94 115.05 2b8a h PHE 82 Ca 0.00 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.06 2b8a h PHE 82 Cb 0.00 0.39 -0.09 0.00 2.56 0.00 0.00 35.95 38.81 2b8a h PHE 82 CO 0.00 -0.63 0.20 0.77 -2.02 0.00 0.00 178.31 176.63 2b8a h SER 83 N -1.05 0.13 -1.08 0.41 0.02 -1.91 0.19 113.55 110.27 2b8a h SER 83 Ca -0.09 0.11 0.30 0.00 -0.84 0.00 0.00 61.79 61.26 2b8a h SER 83 Cb 0.84 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.44 2b8a h SER 83 CO 0.11 0.06 0.74 -0.08 -1.14 0.00 0.00 176.83 176.52 2b8a h GLU 84 N 0.35 0.15 -0.04 3.45 4.57 -1.90 0.83 114.58 121.99 2b8a h GLU 84 Ca 0.35 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.38 2b8a h GLU 84 Cb 0.52 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2b8a h GLU 84 CO -0.40 0.10 -0.65 0.78 -1.18 0.00 0.00 179.01 177.67 2b8a h GLY 85 N 0.16 0.18 1.00 1.92 0.00 -0.44 -2.96 103.07 102.93 2b8a h GLY 85 Ca 0.55 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 2b8a h GLY 85 CO -0.12 0.21 0.38 1.41 0.00 0.00 0.00 176.54 178.42 2b8a h LEU 86 N 0.12 0.75 -0.35 3.11 3.38 0.85 -0.87 115.31 122.29 2b8a h LEU 86 Ca -0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2b8a h LEU 86 Cb 1.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2b8a h LEU 86 CO 0.10 0.58 0.11 -0.25 0.09 0.00 0.00 178.44 179.06 2b8a h TRP 87 N 0.85 0.57 0.14 1.13 7.01 -1.44 -3.01 115.95 121.20 2b8a h TRP 87 Ca 0.23 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2b8a h TRP 87 Cb -0.04 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.86 2b8a h TRP 87 CO -0.02 0.55 -0.07 0.93 -2.79 0.00 0.00 178.44 177.05 2b8a h GLU 88 N 0.42 -0.18 -0.56 2.65 3.07 -1.32 0.85 114.58 119.51 2b8a h GLU 88 Ca 0.11 0.01 0.16 0.00 -0.50 0.00 0.00 59.36 59.15 2b8a h GLU 88 Cb 0.25 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 2b8a h GLU 88 CO -0.00 -0.00 0.51 0.97 -1.40 0.00 0.00 179.01 179.08 2b8a h ILE 89 N -0.33 0.44 0.01 3.13 6.09 -1.18 1.23 117.51 126.91 2b8a h ILE 89 Ca -0.02 0.00 -0.41 0.00 -1.37 0.00 0.00 64.86 63.06 2b8a h ILE 89 Cb 0.26 0.61 -0.06 0.00 0.47 0.00 0.00 36.82 38.11 2b8a h ILE 89 CO 0.03 0.00 -2.38 -0.62 -3.07 0.00 0.00 178.15 172.11 2b8a n GLU 90 N -3.90 0.63 0.06 2.19 -0.58 -1.00 -4.10 120.64 113.94 2b8a n GLU 90 Ca 0.11 0.24 -0.10 0.00 -0.42 0.00 0.00 57.16 56.98 2b8a n GLU 90 Cb 0.73 -1.54 -0.13 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.14 -1.33 1.62 2.35 0.11 -3.43 115.58 114.56 2b8a h ASN 91 Ca -0.60 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 54.79 2b8a h ASN 91 Cb 1.75 -0.05 -0.23 0.00 0.05 0.00 0.00 38.32 39.85 2b8a h ASN 91 CO -0.22 1.13 -0.55 0.21 -1.65 0.00 0.00 177.43 176.34 2b8a s ASN 92 N -6.78 -0.63 0.10 5.81 3.84 0.42 -5.00 114.94 112.71 2b8a s ASN 92 Ca -0.02 -1.35 0.26 0.00 0.21 0.00 0.00 52.86 51.96 2b8a s ASN 92 Cb 0.09 1.43 0.98 0.00 -0.55 0.00 0.00 41.25 43.20 2b8a s ASN 92 CO 0.84 -0.17 1.79 -0.81 -2.79 0.00 0.00 177.10 175.97 2b8a n PRO 93 N 3.94 0.11 -0.39 0.43 -0.04 -1.03 -3.10 135.00 134.92 2b8a n PRO 93 Ca 0.14 0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 2b8a n PRO 93 Cb 0.53 -1.65 0.27 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.85 1.45 -1.87 0.52 -2.24 -1.26 -4.97 114.28 104.07 2b8a n THR 94 Ca 0.05 -1.19 -0.37 0.00 -2.27 0.00 0.00 64.05 60.27 2b8a n THR 94 Cb 0.34 0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.53 2.29 0.21 2.28 0.11 -1.18 -5.03 120.40 117.55 2b8a s VAL 95 Ca 0.40 0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 59.46 2b8a s VAL 95 Cb 0.25 -3.09 0.03 0.00 -1.53 0.00 0.00 36.38 32.03 2b8a s VAL 95 CO 0.21 -0.02 0.57 -0.54 -3.33 0.00 0.00 175.10 171.98 2b8a s LYS 96 N -3.13 1.47 0.00 1.54 1.02 -1.26 -5.12 119.74 114.26 2b8a s LYS 96 Ca 0.76 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.89 2b8a s LYS 96 Cb -0.36 0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 37.46 2b8a s LYS 96 CO 0.40 -0.64 -0.09 0.00 -0.92 0.00 0.00 175.35 174.11 2b8a s ALA 97 N -3.89 2.93 -0.25 5.17 0.00 -1.26 -5.10 121.76 119.37 2b8a s ALA 97 Ca 0.10 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 2b8a s ALA 97 Cb -0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 2b8a s ALA 97 CO -0.01 0.60 0.58 0.45 0.00 0.00 0.00 175.76 177.39 2b8a s SER 98 N -1.37 6.53 -0.20 0.00 0.15 -1.26 -5.04 113.70 112.52 2b8a s SER 98 Ca 0.16 0.65 -0.01 0.00 0.70 0.00 0.00 55.95 57.45 2b8a s SER 98 Cb -0.11 -2.31 0.06 0.00 -1.71 0.00 0.00 66.02 61.94 2b8a s SER 98 CO 0.07 -0.31 -0.01 -0.83 1.20 0.00 0.00 173.24 173.35 2b8a s GLY 99 N 1.44 0.94 0.14 9.45 0.00 -1.26 -5.13 107.32 112.90 2b8a s GLY 99 Ca 0.24 -0.93 -0.06 0.00 0.00 0.00 0.00 44.72 43.98 2b8a s GLY 99 CO 0.09 1.17 0.40 -0.47 0.00 0.00 0.00 173.10 174.29 2b8a s TYR 100 N 1.67 3.49 0.00 1.90 5.04 -1.26 -4.90 117.35 123.29 2b8a s TYR 100 Ca -0.02 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 2b8a s TYR 100 Cb -0.17 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.08 2b8a s TYR 100 CO -0.07 0.43 0.00 0.94 -1.34 0.00 0.00 175.55 175.51 2b8a n GLN 101 N 0.23 0.00 -2.63 4.97 -0.06 -1.26 -5.03 117.38 113.60 2b8a n GLN 101 Ca -0.03 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.80 2b8a n GLN 101 Cb 0.52 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.71 2b8a n GLN 101 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2b8a n SER 102 N -1.32 -4.90 -3.31 1.69 7.64 -1.26 -4.98 113.62 107.17 2b8a n SER 102 Ca 0.00 -0.14 -0.09 0.00 1.01 0.00 0.00 58.87 59.65 2b8a n SER 102 Cb 0.00 -3.85 -0.06 0.00 -1.01 0.00 0.00 64.21 59.29 2b8a n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2b8a s SER 103 N -2.60 0.39 0.10 6.43 0.15 -1.26 -5.01 113.70 111.89 2b8a s SER 103 Ca 0.14 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2b8a s SER 103 Cb -0.06 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 2b8a s SER 103 CO 0.18 -0.35 0.00 1.67 1.20 0.00 0.00 173.24 175.94 2b8a n GLN 104 N 5.35 0.00 -2.57 5.44 -0.06 -1.26 -5.13 117.38 119.15 2b8a n GLN 104 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 54.95 2b8a n GLN 104 Cb 0.49 -0.23 -0.05 0.00 -4.06 0.00 0.00 30.24 26.40 2b8a n GLN 104 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2b8a n LYS 105 N -3.11 -4.70 -4.40 3.69 5.02 -1.26 -5.05 118.16 108.35 2b8a n LYS 105 Ca 0.00 3.52 -0.25 0.00 -2.02 0.00 0.00 58.31 59.57 2b8a n LYS 105 Cb 0.12 -5.07 -0.10 0.00 -0.02 0.00 0.00 35.03 29.96 2b8a n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2b8a s LYS 106 N -0.67 1.84 -0.13 1.97 2.20 -1.26 -4.96 119.74 118.74 2b8a s LYS 106 Ca -0.27 -1.59 -0.09 0.00 -0.36 0.00 0.00 55.97 53.65 2b8a s LYS 106 Cb 0.02 -1.92 0.03 0.00 -1.51 0.00 0.00 37.83 34.46 2b8a s LYS 106 CO 0.74 0.36 0.18 0.45 -0.36 0.00 0.00 175.35 176.72 2b8a n SER 107 N -0.47 -3.05 -4.55 1.43 2.88 -1.26 -4.73 113.62 103.86 2b8a n SER 107 Ca -0.07 1.51 -0.31 0.00 -1.33 0.00 0.00 58.87 58.67 2b8a n SER 107 Cb 0.59 -5.24 -0.04 0.00 -0.75 0.00 0.00 64.21 58.77 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 14.55 1.40 -0.52 0.00 0.00 -1.26 -5.22 120.51 129.45 2b8a n ALA 109 Ca 0.33 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2b8a n ALA 109 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2b8a n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89