#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8a n SER 2 N 0.00 0.54 -4.25 6.12 3.41 -1.26 -5.02 113.62 113.16 2b8a n SER 2 Ca 0.00 -0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.44 2b8a n SER 2 Cb 0.00 0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 64.57 2b8a n SER 2 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2b8a s ARG 3 N -2.48 1.24 0.51 4.33 3.00 -1.26 -5.18 118.95 119.11 2b8a s ARG 3 Ca -0.14 -1.64 0.03 0.00 0.00 0.00 0.00 55.73 53.98 2b8a s ARG 3 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 34.95 34.93 2b8a s ARG 3 CO 0.76 -0.27 0.15 -1.54 0.00 0.00 0.00 175.30 174.39 2b8a s SER 4 N -3.21 4.31 -0.21 0.23 1.04 -1.26 -5.06 113.70 109.53 2b8a s SER 4 Ca 0.33 -1.45 0.12 0.00 0.48 0.00 0.00 55.95 55.43 2b8a s SER 4 Cb 0.07 0.34 0.43 0.00 0.10 0.00 0.00 66.02 66.96 2b8a s SER 4 CO 0.10 -0.88 1.20 0.59 0.98 0.00 0.00 173.24 175.23 2b8a n ASN 5 N -1.41 2.40 -4.16 7.02 4.13 -1.26 -5.04 115.26 116.95 2b8a n ASN 5 Ca -0.11 -3.64 -0.10 0.00 1.68 0.00 0.00 54.58 52.41 2b8a n ASN 5 Cb 0.66 -0.46 -0.10 0.00 -1.54 0.00 0.00 39.78 38.34 2b8a n ASN 5 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2b8a s ARG 6 N -3.05 0.82 0.24 3.52 6.06 -1.26 -5.11 118.95 120.17 2b8a s ARG 6 Ca 0.40 -1.34 0.00 0.00 -2.50 0.00 0.00 55.73 52.30 2b8a s ARG 6 Cb 0.38 -0.07 0.00 0.00 0.06 0.00 0.00 34.95 35.32 2b8a s ARG 6 CO -0.05 -0.07 0.00 1.04 -2.50 0.00 0.00 175.30 173.71 2b8a n GLN 7 N -0.03 -1.65 -3.01 5.12 6.02 -1.26 -4.68 117.38 117.89 2b8a n GLN 7 Ca -0.11 1.21 -0.43 0.00 -0.01 0.00 0.00 57.00 57.65 2b8a n GLN 7 Cb 0.61 -1.98 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 2b8a n GLN 7 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2b8a s LYS 8 N -2.47 3.21 -0.04 -1.09 -2.85 -1.26 -5.04 119.74 110.21 2b8a s LYS 8 Ca 0.00 -0.61 -0.17 0.00 -1.00 0.00 0.00 55.97 54.19 2b8a s LYS 8 Cb 0.00 -4.08 -0.05 0.00 -2.06 0.00 0.00 37.83 31.63 2b8a s LYS 8 CO 0.00 -1.36 0.45 -1.21 0.10 0.00 0.00 175.35 173.34 2b8a s GLU 9 N 3.26 4.13 0.12 1.78 0.41 -1.26 -5.03 118.70 122.11 2b8a s GLU 9 Ca 0.22 0.47 0.04 0.00 -0.41 0.00 0.00 54.97 55.29 2b8a s GLU 9 Cb -0.16 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 28.84 2b8a s GLU 9 CO 0.15 0.47 0.09 0.71 -0.49 0.00 0.00 175.26 176.19 2b8a s TYR 10 N -0.40 3.13 0.06 1.61 2.02 -1.26 -5.13 117.35 117.38 2b8a s TYR 10 Ca 0.25 0.02 0.06 0.00 -0.37 0.00 0.00 57.07 57.03 2b8a s TYR 10 Cb -0.16 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 2b8a s TYR 10 CO 0.13 0.52 -0.18 0.15 -1.57 0.00 0.00 175.55 174.60 2b8a s LYS 11 N -2.69 1.09 0.03 -0.62 3.01 -1.26 -5.04 119.74 114.26 2b8a s LYS 11 Ca 0.29 -0.93 -0.36 0.00 -1.01 0.00 0.00 55.97 53.97 2b8a s LYS 11 Cb -0.11 -1.19 -0.15 0.00 -1.01 0.00 0.00 37.83 35.38 2b8a s LYS 11 CO 0.22 0.29 1.59 0.00 0.51 0.00 0.00 175.35 177.96 2b8a n GLY 13 N 3.45 2.55 3.77 0.00 0.00 -0.90 -4.99 105.19 109.07 2b8a n GLY 13 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.56 6.65 -0.21 1.61 1.01 -0.75 -4.74 116.67 118.67 2b8a s ASP 14 Ca 0.00 2.23 -0.18 0.00 0.71 0.00 0.00 52.55 55.31 2b8a s ASP 14 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2b8a s ASP 14 CO 0.00 -0.58 0.48 -0.76 0.21 0.00 0.00 175.17 174.52 2b8a s LEU 15 N -2.49 4.13 0.25 1.23 1.43 -1.26 -1.07 118.68 120.90 2b8a s LEU 15 Ca 0.57 0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2b8a s LEU 15 Cb -0.28 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2b8a s LEU 15 CO 0.35 -0.17 0.23 0.68 0.23 0.00 0.00 176.35 177.67 2b8a s VAL 16 N 1.67 0.00 -0.09 -1.59 -7.23 -0.22 -2.57 120.40 110.36 2b8a s VAL 16 Ca 0.22 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2b8a s VAL 16 Cb -0.15 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2b8a s VAL 16 CO 0.09 0.00 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.43 2b8a s PHE 17 N -3.88 2.87 -0.20 2.82 0.08 0.48 -0.93 117.98 119.22 2b8a s PHE 17 Ca 0.37 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.17 2b8a s PHE 17 Cb 0.04 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 2b8a s PHE 17 CO 0.16 0.11 -0.07 0.00 -0.10 0.00 0.00 175.22 175.32 2b8a s ALA 18 N -0.32 2.76 -0.13 5.36 0.00 -1.06 -1.20 121.76 127.17 2b8a s ALA 18 Ca 0.04 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 2b8a s ALA 18 Cb -0.13 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 2b8a s ALA 18 CO 0.02 -0.27 0.46 0.21 0.00 0.00 0.00 175.76 176.18 2b8a s LYS 19 N 1.21 4.33 0.08 0.00 2.47 -0.21 -1.98 119.74 125.63 2b8a s LYS 19 Ca 0.02 0.42 0.06 0.00 -1.56 0.00 0.00 55.97 54.92 2b8a s LYS 19 Cb -0.14 -3.44 -0.03 0.00 -1.46 0.00 0.00 37.83 32.75 2b8a s LYS 19 CO -0.02 0.15 -0.17 -1.64 0.16 0.00 0.00 175.35 173.82 2b8a s MET 20 N 0.66 0.95 0.05 4.03 -1.94 -1.25 -4.88 119.30 116.93 2b8a s MET 20 Ca 0.25 -1.04 -0.30 0.00 -1.71 0.00 0.00 55.69 52.88 2b8a s MET 20 Cb -0.15 -1.08 -0.08 0.00 2.01 0.00 0.00 34.83 35.54 2b8a s MET 20 CO 0.10 0.25 1.63 0.21 -0.01 0.00 0.00 175.02 177.19 2b8a s LYS 21 N -1.80 4.20 0.00 2.03 2.20 -1.26 -1.93 119.74 123.18 2b8a s LYS 21 Ca 0.02 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 2b8a s LYS 21 Cb -0.10 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2b8a s LYS 21 CO 0.03 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 2b8a n GLY 22 N 3.98 0.76 3.17 5.54 0.00 -1.26 -5.04 105.19 112.34 2b8a n GLY 22 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.83 0.04 0.67 1.61 2.02 -0.81 -5.09 117.35 112.96 2b8a s TYR 23 Ca 0.00 -0.21 -0.09 0.00 -0.37 0.00 0.00 57.07 56.40 2b8a s TYR 23 Cb 0.00 -0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.56 2b8a s TYR 23 CO 0.00 -0.40 1.03 -1.25 -1.57 0.00 0.00 175.55 173.36 2b8a s PRO 24 N -2.25 2.78 -0.33 -1.71 0.04 -1.26 -3.77 135.00 128.48 2b8a s PRO 24 Ca -0.07 0.24 -0.39 0.00 0.04 0.00 0.00 61.00 60.81 2b8a s PRO 24 Cb -0.03 -2.11 -0.15 0.00 0.04 0.00 0.00 34.50 32.26 2b8a s PRO 24 CO -0.02 -0.98 1.95 0.72 0.04 0.00 0.00 177.00 178.71 2b8a n HIS 25 N -2.88 1.79 -3.72 0.56 8.25 -1.26 -4.64 115.22 113.33 2b8a n HIS 25 Ca 0.06 0.48 -0.36 0.00 -0.26 0.00 0.00 57.72 57.64 2b8a n HIS 25 Cb 0.58 -2.46 -0.07 0.00 1.12 0.00 0.00 29.99 29.15 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 5.13 3.48 -0.11 4.41 -0.11 -0.84 -4.85 118.94 126.05 2b8a s TRP 26 Ca 1.05 0.46 -0.35 0.00 1.22 0.00 0.00 56.10 58.49 2b8a s TRP 26 Cb -1.06 -2.15 -0.12 0.00 -1.50 0.00 0.00 33.47 28.64 2b8a s TRP 26 CO 0.60 0.40 1.87 -2.30 -4.62 0.00 0.00 176.95 172.91 2b8a n PRO 27 N 3.09 2.10 -4.17 5.86 -0.02 -1.26 -2.58 135.00 138.02 2b8a n PRO 27 Ca -0.16 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 61.95 2b8a n PRO 27 Cb 0.53 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.33 2b8a n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b8a s ALA 28 N 4.06 1.05 0.04 3.55 0.00 -0.11 -2.29 121.76 128.06 2b8a s ALA 28 Ca 0.93 -1.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 2b8a s ALA 28 Cb -0.72 1.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 2b8a s ALA 28 CO 0.53 -0.70 0.02 0.50 0.00 0.00 0.00 175.76 176.11 2b8a s ARG 29 N -3.67 0.51 0.22 0.00 3.52 -0.94 -1.06 118.95 117.53 2b8a s ARG 29 Ca 0.35 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 2b8a s ARG 29 Cb 0.03 0.19 -0.08 0.00 -1.56 0.00 0.00 34.95 33.52 2b8a s ARG 29 CO 0.18 -0.11 0.99 0.42 -0.81 0.00 0.00 175.30 175.97 2b8a s ILE 30 N -2.62 4.00 0.00 4.11 -1.09 -0.23 -1.92 121.20 123.44 2b8a s ILE 30 Ca -0.05 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.29 2b8a s ILE 30 Cb -0.01 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 2b8a s ILE 30 CO -0.05 0.42 0.00 -0.67 -1.23 0.00 0.00 174.94 173.41 2b8a n ASP 31 N 1.74 4.03 -3.52 3.58 2.03 -0.91 -2.12 116.55 121.38 2b8a n ASP 31 Ca -0.01 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.17 2b8a n ASP 31 Cb 0.47 0.68 -0.04 0.00 -0.72 0.00 0.00 41.12 41.50 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 -1.67 0.89 0.31 -0.67 2.12 -1.24 -4.90 118.70 113.53 2b8a s GLU 32 Ca 0.00 0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.32 2b8a s GLU 32 Cb 0.00 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 2b8a s GLU 32 CO 0.00 -0.32 0.55 -1.64 -0.54 0.00 0.00 175.26 173.32 2b8a s MET 33 N -1.86 3.58 0.05 4.30 -1.94 -1.26 -3.19 119.30 118.98 2b8a s MET 33 Ca -0.03 -0.10 -0.30 0.00 -1.71 0.00 0.00 55.69 53.55 2b8a s MET 33 Cb -0.00 -2.65 -0.04 0.00 2.01 0.00 0.00 34.83 34.14 2b8a s MET 33 CO 0.01 0.19 1.04 -2.14 -0.01 0.00 0.00 175.02 174.10 2b8a s PRO 34 N -3.80 4.55 0.00 2.03 0.02 -1.26 -4.89 135.00 131.65 2b8a s PRO 34 Ca 0.43 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.98 2b8a s PRO 34 Cb -0.10 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.01 2b8a s PRO 34 CO 0.32 -0.05 0.13 0.39 -0.33 0.00 0.00 177.00 177.47 2b8a n GLU 35 N 3.59 0.00 0.04 5.54 4.71 -1.26 -5.00 120.64 128.26 2b8a n GLU 35 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 2b8a n GLU 35 Cb 0.49 -0.54 0.00 0.00 -1.01 0.00 0.00 31.44 30.38 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2b8a n ALA 36 N -2.01 0.00 -2.69 0.62 0.00 -1.26 -5.03 120.51 110.13 2b8a n ALA 36 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2b8a n ALA 36 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.50 -2.85 0.00 0.00 -1.22 -4.46 120.51 106.88 2b8a n ALA 37 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 53.44 52.56 2b8a n ALA 37 Cb 0.00 -2.42 -0.07 0.00 0.00 0.00 0.00 19.45 16.95 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 0.25 0.10 0.00 0.00 -7.23 -1.25 -4.98 120.40 107.30 2b8a s VAL 38 Ca 0.25 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 2b8a s VAL 38 Cb 0.25 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 36.11 2b8a s VAL 38 CO -0.15 -0.47 0.00 0.29 -0.31 0.00 0.00 175.10 174.47 2b8a n LYS 39 N 0.31 0.00 0.00 4.82 5.02 -1.26 -2.30 118.16 124.76 2b8a n LYS 39 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2b8a n LYS 39 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 2b8a n LYS 39 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2b8a n SER 40 N 1.71 0.00 -3.67 4.39 2.88 -1.26 -5.13 113.62 112.55 2b8a n SER 40 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 2b8a n SER 40 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 2b8a n SER 40 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2b8a s THR 41 N 0.00 0.22 -0.04 2.46 -1.32 -0.97 -5.03 115.64 110.95 2b8a s THR 41 Ca 0.00 -0.42 -0.04 0.00 -1.21 0.00 0.00 61.69 60.03 2b8a s THR 41 Cb 0.00 -0.84 -0.02 0.00 -1.51 0.00 0.00 72.50 70.13 2b8a s THR 41 CO 0.00 -0.29 0.25 0.00 -2.21 0.00 0.00 174.62 172.37 2b8a h ALA 42 N 8.33 -0.23 -0.30 11.08 0.00 -1.88 -3.23 119.26 133.03 2b8a h ALA 42 Ca -0.16 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 2b8a h ALA 42 Cb 1.12 0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.77 2b8a h ALA 42 CO 0.33 -0.22 -0.55 -1.71 0.00 0.00 0.00 179.25 177.10 2b8a n ASN 43 N -3.61 -1.63 -4.13 0.00 2.85 -1.26 -4.28 115.26 103.20 2b8a n ASN 43 Ca -0.02 -3.22 -0.17 0.00 -0.11 0.00 0.00 54.58 51.06 2b8a n ASN 43 Cb 0.06 1.24 -0.12 0.00 1.24 0.00 0.00 39.78 42.19 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 -0.27 0.72 0.32 1.20 1.02 -1.26 -4.71 119.74 116.75 2b8a s LYS 44 Ca 0.24 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 2b8a s LYS 44 Cb 0.34 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 2b8a s LYS 44 CO -0.06 0.14 0.53 0.71 -0.92 0.00 0.00 175.35 175.75 2b8a s TYR 45 N -1.30 3.49 -0.47 3.18 1.51 0.53 -4.13 117.35 120.15 2b8a s TYR 45 Ca -0.05 0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 56.24 2b8a s TYR 45 Cb -0.10 -1.92 0.06 0.00 -0.11 0.00 0.00 41.96 39.88 2b8a s TYR 45 CO 0.02 0.17 0.46 -1.14 -1.11 0.00 0.00 175.55 173.94 2b8a s GLN 46 N -4.04 3.04 -0.05 -0.62 0.74 -1.19 -2.04 119.66 115.48 2b8a s GLN 46 Ca 0.40 -1.11 -0.03 0.00 0.05 0.00 0.00 55.36 54.68 2b8a s GLN 46 Cb -0.10 -4.09 -0.04 0.00 1.10 0.00 0.00 33.01 29.89 2b8a s GLN 46 CO 0.34 -1.03 0.08 0.08 -0.55 0.00 0.00 175.29 174.21 2b8a s VAL 47 N 2.00 4.85 -0.22 1.34 1.01 -0.75 -2.14 120.40 126.50 2b8a s VAL 47 Ca 0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2b8a s VAL 47 Cb -0.21 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2b8a s VAL 47 CO 0.09 0.48 0.04 0.12 0.00 0.00 0.00 175.10 175.84 2b8a s PHE 48 N -1.08 3.09 -0.45 5.22 5.36 -0.81 -2.57 117.98 126.74 2b8a s PHE 48 Ca 0.19 -0.37 -0.18 0.00 -0.96 0.00 0.00 56.93 55.61 2b8a s PHE 48 Cb -0.12 -2.15 0.03 0.00 -0.34 0.00 0.00 43.02 40.44 2b8a s PHE 48 CO 0.09 -0.24 0.53 -0.06 -1.46 0.00 0.00 175.22 174.08 2b8a s PHE 49 N 1.19 3.12 1.37 10.12 0.08 0.12 -2.21 117.98 131.76 2b8a s PHE 49 Ca 0.04 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 56.51 2b8a s PHE 49 Cb -0.14 -3.17 0.34 0.00 -0.57 0.00 0.00 43.02 39.47 2b8a s PHE 49 CO 0.02 -0.83 0.77 1.19 -0.10 0.00 0.00 175.22 176.28 2b8a n PHE 50 N 5.88 -3.39 0.00 0.36 3.72 -0.97 0.11 117.46 123.17 2b8a n PHE 50 Ca -0.06 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.73 2b8a n PHE 50 Cb 0.47 -1.36 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 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 1.99 0.73 0.09 1.37 0.00 -1.26 -3.26 105.19 104.86 2b8a n GLY 51 Ca 0.12 -0.01 0.06 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 0.78 -2.93 2.61 -2.24 -1.24 -4.80 114.28 106.46 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 -0.45 0.03 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 -2.70 -1.65 -3.23 4.78 -0.00 0.30 -5.00 115.22 107.73 2b8a n HIS 53 Ca -0.06 0.47 -0.30 0.00 -0.00 0.00 0.00 57.72 57.84 2b8a n HIS 53 Cb 0.69 -3.79 -0.04 0.00 -0.00 0.00 0.00 29.99 26.85 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 -5.53 3.70 0.00 -0.41 2.02 -0.79 -4.80 118.70 112.89 2b8a s GLU 54 Ca 0.27 0.18 0.07 0.00 0.02 0.00 0.00 54.97 55.51 2b8a s GLU 54 Cb -0.12 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.51 2b8a s GLU 54 CO 0.34 0.17 -0.21 0.95 0.02 0.00 0.00 175.26 176.52 2b8a s THR 55 N -2.11 1.69 0.22 3.63 -4.23 -1.26 0.11 115.64 113.69 2b8a s THR 55 Ca 0.46 -1.00 -0.16 0.00 -1.18 0.00 0.00 61.69 59.81 2b8a s THR 55 Cb -0.11 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.33 2b8a s THR 55 CO 0.29 0.41 0.53 0.00 -0.54 0.00 0.00 174.62 175.30 2b8a s ALA 56 N -0.58 -0.77 -0.21 3.99 0.00 -1.06 -5.03 121.76 118.10 2b8a s ALA 56 Ca 0.08 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 2b8a s ALA 56 Cb -0.08 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 2b8a s ALA 56 CO -0.00 -0.84 0.03 -0.06 0.00 0.00 0.00 175.76 174.88 2b8a s PHE 57 N -3.92 3.09 0.07 0.00 0.40 -1.26 -1.81 117.98 114.55 2b8a s PHE 57 Ca 0.13 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 2b8a s PHE 57 Cb -0.01 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 2b8a s PHE 57 CO 0.02 -0.18 -0.04 -0.51 0.70 0.00 0.00 175.22 175.21 2b8a s LEU 58 N 0.99 2.47 0.69 -0.37 1.43 -0.87 -4.89 118.68 118.13 2b8a s LEU 58 Ca 0.02 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.12 2b8a s LEU 58 Cb -0.14 0.12 0.11 0.00 0.03 0.00 0.00 46.19 46.31 2b8a s LEU 58 CO 0.02 -0.56 0.95 -0.83 0.23 0.00 0.00 176.35 176.16 2b8a s GLY 59 N -2.96 1.76 0.49 -3.19 0.00 -1.26 -0.35 107.32 101.81 2b8a s GLY 59 Ca 0.09 -1.76 0.26 0.00 0.00 0.00 0.00 44.72 43.31 2b8a s GLY 59 CO -0.08 -1.23 2.00 -0.56 0.00 0.00 0.00 173.10 173.23 2b8a h PRO 60 N -0.38 0.00 0.00 2.90 0.13 -1.91 -2.35 132.00 130.39 2b8a h PRO 60 Ca -0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 2b8a h PRO 60 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2b8a h PRO 60 CO 0.41 0.16 -0.24 0.87 -0.23 0.00 0.00 178.00 178.97 2b8a h LYS 61 N 0.00 0.00 -0.49 0.86 1.79 -1.98 -2.48 116.57 114.27 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 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2b8a h LYS 61 CO 0.02 0.24 0.00 -0.25 -1.08 0.00 0.00 179.45 178.38 2b8a n ASP 62 N -3.57 3.58 -4.44 0.86 8.00 -0.89 -4.91 116.55 115.18 2b8a n ASP 62 Ca -0.01 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 2b8a n ASP 62 Cb 0.39 -0.32 -0.14 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.35 2.63 0.09 0.64 1.43 -0.93 -1.05 118.68 120.14 2b8a s LEU 63 Ca 0.42 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 2b8a s LEU 63 Cb 0.24 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2b8a s LEU 63 CO 0.32 0.32 -0.06 -0.36 0.23 0.00 0.00 176.35 176.80 2b8a s PHE 64 N -0.59 0.84 -0.26 0.29 0.40 -0.34 -4.93 117.98 113.40 2b8a s PHE 64 Ca 0.08 -0.93 -0.29 0.00 -0.60 0.00 0.00 56.93 55.19 2b8a s PHE 64 Cb -0.11 -0.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.90 2b8a s PHE 64 CO 0.01 -0.18 1.55 -2.14 0.70 0.00 0.00 175.22 175.16 2b8a s PRO 65 N -3.84 3.77 0.11 0.24 0.02 -1.26 -0.39 135.00 133.64 2b8a s PRO 65 Ca 0.11 1.50 -0.34 0.00 0.02 0.00 0.00 61.00 62.29 2b8a s PRO 65 Cb 0.06 -4.01 -0.14 0.00 0.02 0.00 0.00 34.50 30.43 2b8a s PRO 65 CO -0.05 -1.32 1.56 -0.92 -0.33 0.00 0.00 177.00 175.94 2b8a h TYR 66 N 10.58 -1.49 -0.85 6.54 3.20 -1.78 0.10 116.97 133.27 2b8a h TYR 66 Ca -0.32 0.04 0.20 0.00 3.14 0.00 0.00 58.73 61.80 2b8a h TYR 66 Cb 1.14 0.64 -0.12 0.00 1.54 0.00 0.00 36.73 39.93 2b8a h TYR 66 CO 0.91 -0.58 0.32 0.93 -1.64 0.00 0.00 178.16 178.10 2b8a h GLU 67 N -0.73 0.34 -0.28 1.82 5.08 -1.92 1.91 114.58 120.80 2b8a h GLU 67 Ca 0.00 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 2b8a h GLU 67 Cb 0.75 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2b8a h GLU 67 CO -0.30 0.22 -0.56 0.93 -1.00 0.00 0.00 179.01 178.31 2b8a h GLU 68 N 0.35 0.85 -0.62 2.33 5.08 -1.83 -3.26 114.58 117.48 2b8a h GLU 68 Ca 0.52 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2b8a h GLU 68 Cb 0.96 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2b8a h GLU 68 CO -0.54 1.18 0.00 0.43 -1.00 0.00 0.00 179.01 179.08 2b8a n SER 69 N -4.00 3.67 -0.22 1.42 7.64 0.30 -4.56 113.62 117.87 2b8a n SER 69 Ca -0.04 -2.00 -0.01 0.00 1.01 0.00 0.00 58.87 57.83 2b8a n SER 69 Cb 0.63 -0.41 0.10 0.00 -1.01 0.00 0.00 64.21 63.53 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 3.72 0.56 -0.20 1.43 2.10 0.29 0.69 116.57 125.15 2b8a h LYS 70 Ca 0.00 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.51 2b8a h LYS 70 Cb 0.92 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 2b8a h LYS 70 CO 0.00 0.37 -0.34 0.93 -2.00 0.00 0.00 179.45 178.41 2b8a h GLU 71 N 0.58 0.43 0.12 0.07 5.08 -1.82 0.99 114.58 120.02 2b8a h GLU 71 Ca 0.30 -0.19 -0.25 0.00 -1.00 0.00 0.00 59.36 58.23 2b8a h GLU 71 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2b8a h GLU 71 CO -0.23 0.72 -1.22 1.57 -1.00 0.00 0.00 179.01 178.85 2b8a h LYS 72 N 0.36 0.25 0.00 2.33 2.10 -1.69 -3.38 116.57 116.54 2b8a h LYS 72 Ca 0.04 -0.43 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2b8a h LYS 72 Cb 0.78 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2b8a h LYS 72 CO 0.06 1.21 -1.12 1.19 -2.00 0.00 0.00 179.45 178.78 2b8a n PHE 73 N -4.00 0.16 -2.45 0.07 3.72 0.23 -4.68 117.46 110.52 2b8a n PHE 73 Ca -0.22 0.05 -0.43 0.00 -0.05 0.00 0.00 57.45 56.80 2b8a n PHE 73 Cb 0.87 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 1.39 3.88 3.24 1.37 0.00 0.34 -4.88 105.19 110.53 2b8a n GLY 74 Ca 0.02 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 1.98 0.90 0.68 1.61 1.02 -1.26 -4.80 119.74 119.86 2b8a s LYS 75 Ca 0.45 -0.83 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 2b8a s LYS 75 Cb 0.06 0.38 0.01 0.00 -0.52 0.00 0.00 37.83 37.75 2b8a s LYS 75 CO 0.00 -0.31 1.21 -1.25 -0.92 0.00 0.00 175.35 174.08 2b8a s PRO 76 N -3.67 2.46 0.08 -1.68 0.04 -1.26 -4.84 135.00 126.14 2b8a s PRO 76 Ca 0.03 1.77 0.02 0.00 0.04 0.00 0.00 61.00 62.86 2b8a s PRO 76 Cb 0.03 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 2b8a s PRO 76 CO -0.10 -1.59 0.06 0.27 0.04 0.00 0.00 177.00 175.68 2b8a n ASN 77 N -2.31 0.01 -0.00 6.66 6.94 -1.26 -5.06 115.26 120.24 2b8a n ASN 77 Ca 0.13 -1.53 0.10 0.00 -0.02 0.00 0.00 54.58 53.26 2b8a n ASN 77 Cb 0.50 0.38 -0.13 0.00 -2.36 0.00 0.00 39.78 38.18 2b8a n ASN 77 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2b8a n LYS 78 N -0.17 0.23 0.18 -3.83 0.00 -1.26 -4.22 118.16 109.09 2b8a n LYS 78 Ca 0.01 -0.04 0.13 0.00 0.00 0.00 0.00 58.31 58.42 2b8a n LYS 78 Cb 0.15 -1.49 0.62 0.00 0.00 0.00 0.00 35.03 34.31 2b8a n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2b8a h ARG 79 N 0.00 0.00 -3.50 1.64 2.47 -1.98 -3.48 114.38 109.52 2b8a h ARG 79 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2b8a h ARG 79 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2b8a h ARG 79 CO 0.00 0.00 -0.86 1.63 0.56 0.00 0.00 179.97 181.30 2b8a n LYS 80 N -2.44 -4.27 0.00 0.04 4.76 -1.26 -4.77 118.16 110.22 2b8a n LYS 80 Ca 0.00 3.20 0.00 0.00 -2.87 0.00 0.00 58.31 58.64 2b8a n LYS 80 Cb 0.16 -3.64 0.00 0.00 -1.84 0.00 0.00 35.03 29.71 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 -1.09 2.46 0.44 0.72 0.00 -1.26 -4.91 105.19 101.55 2b8a n GLY 81 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.71 1.61 3.04 -1.93 -2.80 116.94 115.05 2b8a h PHE 82 Ca 0.00 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.08 2b8a h PHE 82 Cb 0.00 0.40 -0.09 0.00 2.56 0.00 0.00 35.95 38.82 2b8a h PHE 82 CO 0.00 -0.61 0.24 0.66 -2.02 0.00 0.00 178.31 176.58 2b8a h SER 83 N -0.97 0.17 -1.06 0.41 4.64 -1.91 0.25 113.55 115.09 2b8a h SER 83 Ca -0.07 0.11 0.29 0.00 -0.47 0.00 0.00 61.79 61.66 2b8a h SER 83 Cb 0.80 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.95 2b8a h SER 83 CO 0.04 0.06 0.74 -0.08 -0.87 0.00 0.00 176.83 176.72 2b8a h GLU 84 N 0.37 0.14 -0.03 4.77 4.81 -1.89 0.75 114.58 123.50 2b8a h GLU 84 Ca 0.38 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.44 2b8a h GLU 84 Cb 0.58 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2b8a h GLU 84 CO -0.41 0.09 -0.73 0.78 -0.73 0.00 0.00 179.01 178.01 2b8a h GLY 85 N 0.14 0.23 1.00 1.92 0.00 -0.34 -2.98 103.07 103.04 2b8a h GLY 85 Ca 0.54 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 2b8a h GLY 85 CO -0.11 0.30 0.39 1.41 0.00 0.00 0.00 176.54 178.53 2b8a h LEU 86 N 0.14 0.75 -0.44 3.11 3.38 0.71 -0.99 115.31 121.96 2b8a h LEU 86 Ca -0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2b8a h LEU 86 Cb 1.29 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2b8a h LEU 86 CO 0.11 0.57 0.17 -0.25 0.09 0.00 0.00 178.44 179.14 2b8a h TRP 87 N 0.85 0.67 0.17 1.13 7.01 -1.45 -3.02 115.95 121.31 2b8a h TRP 87 Ca 0.23 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2b8a h TRP 87 Cb -0.05 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 26.81 2b8a h TRP 87 CO -0.02 0.58 -0.08 0.93 -2.79 0.00 0.00 178.44 177.06 2b8a h GLU 88 N 0.57 -0.22 -0.45 2.65 3.07 -1.32 0.85 114.58 119.73 2b8a h GLU 88 Ca 0.15 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.15 2b8a h GLU 88 Cb 0.20 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2b8a h GLU 88 CO -0.01 -0.03 0.50 0.97 -1.40 0.00 0.00 179.01 179.04 2b8a h ILE 89 N -0.37 0.34 0.00 3.13 2.10 -1.18 1.08 117.51 122.61 2b8a h ILE 89 Ca -0.02 0.00 -0.41 0.00 1.08 0.00 0.00 64.86 65.51 2b8a h ILE 89 Cb 0.29 0.60 -0.07 0.00 -1.09 0.00 0.00 36.82 36.55 2b8a h ILE 89 CO 0.04 0.00 -2.44 -0.62 -1.08 0.00 0.00 178.15 174.05 2b8a n GLU 90 N -3.66 0.59 0.06 2.19 1.02 -1.00 -4.14 120.64 115.71 2b8a n GLU 90 Ca 0.08 0.19 -0.12 0.00 -0.02 0.00 0.00 57.16 57.30 2b8a n GLU 90 Cb 0.69 -1.47 -0.13 0.00 -0.02 0.00 0.00 31.44 30.51 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 -0.45 0.19 -1.27 1.62 -0.26 0.11 -3.43 115.58 112.09 2b8a h ASN 91 Ca -0.61 -0.23 -0.20 0.00 -0.56 0.00 0.00 56.30 54.70 2b8a h ASN 91 Cb 1.73 -0.06 -0.21 0.00 -1.06 0.00 0.00 38.32 38.71 2b8a h ASN 91 CO -0.24 1.19 -0.56 0.21 -1.06 0.00 0.00 177.43 176.97 2b8a s ASN 92 N -6.82 -0.83 0.00 5.81 3.04 0.37 -4.99 114.94 111.52 2b8a s ASN 92 Ca -0.03 -1.60 0.25 0.00 0.04 0.00 0.00 52.86 51.52 2b8a s ASN 92 Cb 0.08 1.49 1.06 0.00 -1.54 0.00 0.00 41.25 42.34 2b8a s ASN 92 CO 0.84 -0.12 1.79 -0.81 -3.04 0.00 0.00 177.10 175.77 2b8a n PRO 93 N 3.51 0.00 -0.40 0.43 -0.04 -0.81 -2.99 135.00 134.70 2b8a n PRO 93 Ca 0.17 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.79 2b8a n PRO 93 Cb 0.54 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.50 1.35 -1.89 0.52 -2.24 -1.26 -4.97 114.28 104.30 2b8a n THR 94 Ca 0.06 -1.13 -0.37 0.00 -2.27 0.00 0.00 64.05 60.34 2b8a n THR 94 Cb 0.29 0.33 0.04 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.40 2.32 0.22 2.28 0.11 -1.16 -5.03 120.40 117.74 2b8a s VAL 95 Ca 0.42 0.22 -0.12 0.00 -2.93 0.00 0.00 61.98 59.57 2b8a s VAL 95 Cb 0.25 -3.10 -0.00 0.00 -1.53 0.00 0.00 36.38 31.99 2b8a s VAL 95 CO 0.24 -0.02 0.43 -1.59 -3.33 0.00 0.00 175.10 170.83 2b8a s LYS 96 N -3.08 1.42 -0.14 1.54 -2.85 -1.26 -5.08 119.74 110.29 2b8a s LYS 96 Ca 0.74 -1.19 -0.24 0.00 -1.00 0.00 0.00 55.97 54.28 2b8a s LYS 96 Cb -0.36 0.45 -0.25 0.00 -2.06 0.00 0.00 37.83 35.61 2b8a s LYS 96 CO 0.41 -0.58 0.57 0.00 0.10 0.00 0.00 175.35 175.86 2b8a h ALA 97 N 2.33 0.10 -3.25 0.59 0.00 -1.96 -3.47 119.26 113.61 2b8a h ALA 97 Ca -0.28 -0.85 -0.27 0.00 0.00 0.00 0.00 54.91 53.51 2b8a h ALA 97 Cb 1.25 0.32 -0.34 0.00 0.00 0.00 0.00 17.79 19.03 2b8a h ALA 97 CO 0.39 0.41 -0.64 -1.54 0.00 0.00 0.00 179.25 177.87 2b8a s SER 98 N -6.64 0.22 -0.18 0.00 1.04 -1.26 -5.04 113.70 101.84 2b8a s SER 98 Ca -0.22 0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.52 2b8a s SER 98 Cb 0.01 0.16 -0.15 0.00 0.10 0.00 0.00 66.02 66.14 2b8a s SER 98 CO 0.69 -0.18 -0.11 0.61 0.98 0.00 0.00 173.24 175.23 2b8a n GLY 99 N 4.58 -0.42 2.97 7.32 0.00 -1.26 -5.07 105.19 113.30 2b8a n GLY 99 Ca -0.19 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.93 -3.28 0.00 1.61 9.36 -1.26 -4.94 117.16 115.72 2b8a n TYR 100 Ca -0.32 1.31 0.00 0.00 3.32 0.00 0.00 57.90 62.21 2b8a n TYR 100 Cb 0.91 -3.94 0.00 0.00 -0.63 0.00 0.00 39.34 35.69 2b8a n TYR 100 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2b8a n GLN 101 N -0.74 0.00 -4.04 2.98 1.13 -1.26 -5.09 117.38 110.36 2b8a n GLN 101 Ca 0.07 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.81 2b8a n GLN 101 Cb 0.49 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.69 2b8a n GLN 101 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2b8a s SER 102 N -1.69 4.05 -0.09 1.08 1.04 -1.26 -5.09 113.70 111.74 2b8a s SER 102 Ca 0.00 -1.21 -0.30 0.00 0.48 0.00 0.00 55.95 54.93 2b8a s SER 102 Cb 0.00 -1.42 -0.04 0.00 0.10 0.00 0.00 66.02 64.66 2b8a s SER 102 CO 0.00 -0.17 1.53 -0.55 0.98 0.00 0.00 173.24 175.03 2b8a s SER 103 N 1.22 6.76 -0.14 7.02 0.15 -1.26 -4.87 113.70 122.58 2b8a s SER 103 Ca -0.06 2.06 0.04 0.00 0.70 0.00 0.00 55.95 58.70 2b8a s SER 103 Cb -0.19 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.47 2b8a s SER 103 CO -0.06 -0.87 -0.08 0.00 1.20 0.00 0.00 173.24 173.42 2b8a n GLN 104 N 6.96 0.89 -3.61 5.44 6.02 -1.26 -4.95 117.38 126.87 2b8a n GLN 104 Ca 0.16 0.06 -0.37 0.00 -0.01 0.00 0.00 57.00 56.84 2b8a n GLN 104 Cb 0.43 -1.31 -0.10 0.00 1.02 0.00 0.00 30.24 30.29 2b8a n GLN 104 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2b8a s LYS 105 N -2.31 4.05 0.02 -1.09 0.00 -1.26 -5.07 119.74 114.08 2b8a s LYS 105 Ca -0.16 -0.22 -0.05 0.00 0.00 0.00 0.00 55.97 55.54 2b8a s LYS 105 Cb 0.05 -3.57 -0.01 0.00 0.00 0.00 0.00 37.83 34.30 2b8a s LYS 105 CO 0.40 -0.01 0.09 0.15 0.00 0.00 0.00 175.35 175.98 2b8a s LYS 106 N 1.27 0.50 -0.21 1.78 -0.14 -1.26 -5.07 119.74 116.61 2b8a s LYS 106 Ca 0.09 -0.61 -0.14 0.00 -1.36 0.00 0.00 55.97 53.95 2b8a s LYS 106 Cb -0.14 0.20 -0.19 0.00 -1.68 0.00 0.00 37.83 36.02 2b8a s LYS 106 CO 0.06 -0.12 0.07 0.43 -0.76 0.00 0.00 175.35 175.04 2b8a n SER 107 N 1.15 1.95 -2.35 2.83 7.64 -1.26 -5.09 113.62 118.49 2b8a n SER 107 Ca -0.21 0.30 -0.00 0.00 1.01 0.00 0.00 58.87 59.97 2b8a n SER 107 Cb 0.57 -0.86 -0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2b8a n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b8a s ALA 109 N -0.60 1.09 0.00 0.00 0.00 -1.26 -5.35 121.76 115.64 2b8a s ALA 109 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2b8a s ALA 109 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2b8a s ALA 109 CO 0.04 -0.90 0.00 -1.91 0.00 0.00 0.00 175.76 173.00