#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 3.26 -0.28 3.17 0.01 -1.26 -5.08 113.70 113.52 2b8a s SER 2 Ca 0.00 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.15 2b8a s SER 2 Cb 0.00 -0.62 0.11 0.00 0.21 0.00 0.00 66.02 65.72 2b8a s SER 2 CO 0.00 -0.35 0.19 -0.13 0.41 0.00 0.00 173.24 173.36 2b8a s ARG 3 N 1.84 0.23 -0.07 12.44 0.52 -1.26 -5.03 118.95 127.61 2b8a s ARG 3 Ca 0.03 -0.33 -0.06 0.00 -0.52 0.00 0.00 55.73 54.85 2b8a s ARG 3 Cb -0.17 -1.03 0.02 0.00 0.52 0.00 0.00 34.95 34.30 2b8a s ARG 3 CO -0.16 -0.99 0.11 0.43 0.02 0.00 0.00 175.30 174.72 2b8a n SER 4 N 5.28 -5.47 -4.57 0.23 7.64 -1.26 -5.03 113.62 110.44 2b8a n SER 4 Ca -0.05 1.62 -0.25 0.00 1.01 0.00 0.00 58.87 61.20 2b8a n SER 4 Cb 0.44 -5.20 0.12 0.00 -1.01 0.00 0.00 64.21 58.57 2b8a n SER 4 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2b8a s ASN 5 N -0.62 4.10 0.07 6.43 4.22 -1.26 -4.90 114.94 122.98 2b8a s ASN 5 Ca -0.13 -0.14 0.00 0.00 -2.14 0.00 0.00 52.86 50.45 2b8a s ASN 5 Cb 0.01 -0.19 0.00 0.00 1.28 0.00 0.00 41.25 42.35 2b8a s ASN 5 CO 0.34 -2.04 0.00 -1.14 -2.04 0.00 0.00 177.10 172.23 2b8a n ARG 6 N -3.06 -5.17 -4.04 3.55 0.63 -1.26 -5.08 116.66 102.24 2b8a n ARG 6 Ca 0.14 3.74 -0.21 0.00 -0.92 0.00 0.00 57.85 60.60 2b8a n ARG 6 Cb 0.60 -4.49 -0.06 0.00 0.45 0.00 0.00 32.46 28.96 2b8a n ARG 6 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2b8a n GLN 7 N 1.80 0.62 -2.75 -0.14 1.13 -1.26 -5.12 117.38 111.66 2b8a n GLN 7 Ca 0.00 -2.93 -0.43 0.00 -1.94 0.00 0.00 57.00 51.70 2b8a n GLN 7 Cb 0.00 1.64 -0.03 0.00 0.11 0.00 0.00 30.24 31.96 2b8a n GLN 7 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2b8a s LYS 8 N -3.31 4.17 0.03 -1.09 2.20 -1.26 -5.03 119.74 115.44 2b8a s LYS 8 Ca 0.18 1.11 -0.09 0.00 -0.36 0.00 0.00 55.97 56.81 2b8a s LYS 8 Cb 0.01 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.61 2b8a s LYS 8 CO 0.13 -0.65 0.34 -1.83 -0.36 0.00 0.00 175.35 172.98 2b8a s GLU 9 N 3.15 3.70 0.23 4.03 -1.05 -1.26 -5.00 118.70 122.50 2b8a s GLU 9 Ca 0.40 0.11 0.09 0.00 -0.15 0.00 0.00 54.97 55.42 2b8a s GLU 9 Cb -0.14 -3.08 -0.04 0.00 -0.44 0.00 0.00 34.13 30.43 2b8a s GLU 9 CO 0.09 0.63 -0.04 0.71 0.95 0.00 0.00 175.26 177.60 2b8a s TYR 10 N -1.28 2.69 0.11 4.83 1.51 -1.26 -5.15 117.35 118.80 2b8a s TYR 10 Ca 0.28 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.17 2b8a s TYR 10 Cb -0.14 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 2b8a s TYR 10 CO 0.16 0.57 -0.10 0.15 -1.11 0.00 0.00 175.55 175.22 2b8a s LYS 11 N -3.29 0.90 0.16 -0.62 -0.14 -1.26 -5.00 119.74 110.50 2b8a s LYS 11 Ca 0.29 -1.25 -0.34 0.00 -1.36 0.00 0.00 55.97 53.31 2b8a s LYS 11 Cb -0.08 -0.52 -0.15 0.00 -1.68 0.00 0.00 37.83 35.40 2b8a s LYS 11 CO 0.18 0.07 1.39 0.00 -0.76 0.00 0.00 175.35 176.23 2b8a n GLY 13 N 2.57 1.32 3.76 0.00 0.00 0.10 -4.95 105.19 108.00 2b8a n GLY 13 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.15 7.02 -0.32 1.61 -1.08 -0.42 -4.74 116.67 116.59 2b8a s ASP 14 Ca 0.00 2.45 -0.20 0.00 -0.52 0.00 0.00 52.55 54.29 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 0.60 -0.76 0.52 0.00 0.00 175.17 175.18 2b8a s LEU 15 N -1.39 4.20 0.21 -1.34 1.43 -1.26 -1.06 118.68 119.46 2b8a s LEU 15 Ca 0.48 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 2b8a s LEU 15 Cb -0.36 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 2b8a s LEU 15 CO 0.45 -0.49 0.13 0.68 0.23 0.00 0.00 176.35 177.36 2b8a s VAL 16 N 2.57 0.03 -0.10 -1.59 -7.23 -0.12 -2.13 120.40 111.83 2b8a s VAL 16 Ca 0.24 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2b8a s VAL 16 Cb -0.15 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 2b8a s VAL 16 CO 0.13 0.00 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.48 2b8a s PHE 17 N -4.11 2.91 -0.20 2.82 0.08 -0.20 -0.95 117.98 118.33 2b8a s PHE 17 Ca 0.39 -0.19 -0.04 0.00 0.12 0.00 0.00 56.93 57.21 2b8a s PHE 17 Cb 0.07 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2b8a s PHE 17 CO 0.13 0.14 -0.04 0.00 -0.10 0.00 0.00 175.22 175.35 2b8a s ALA 18 N -0.32 2.87 -0.11 5.36 0.00 -1.05 -1.46 121.76 127.05 2b8a s ALA 18 Ca 0.04 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 2b8a s ALA 18 Cb -0.13 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 2b8a s ALA 18 CO 0.02 -0.24 0.47 0.21 0.00 0.00 0.00 175.76 176.22 2b8a s LYS 19 N 1.15 4.31 0.07 0.00 2.47 -0.38 -2.07 119.74 125.29 2b8a s LYS 19 Ca 0.02 0.44 0.07 0.00 -1.56 0.00 0.00 55.97 54.94 2b8a s LYS 19 Cb -0.15 -3.42 -0.03 0.00 -1.46 0.00 0.00 37.83 32.78 2b8a s LYS 19 CO -0.00 0.21 -0.18 -1.64 0.16 0.00 0.00 175.35 173.90 2b8a s MET 20 N 0.46 1.09 -0.21 4.03 -1.94 -1.25 -4.90 119.30 116.58 2b8a s MET 20 Ca 0.25 -0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 52.96 2b8a s MET 20 Cb -0.15 -1.22 -0.04 0.00 2.01 0.00 0.00 34.83 35.43 2b8a s MET 20 CO 0.10 0.29 1.81 -1.59 -0.01 0.00 0.00 175.02 175.63 2b8a s LYS 21 N -1.54 3.61 0.00 2.03 -2.85 -1.26 -2.09 119.74 117.64 2b8a s LYS 21 Ca 0.04 1.79 0.00 0.00 -1.00 0.00 0.00 55.97 56.80 2b8a s LYS 21 Cb -0.09 -4.15 0.00 0.00 -2.06 0.00 0.00 37.83 31.53 2b8a s LYS 21 CO 0.03 -1.53 0.00 0.41 0.10 0.00 0.00 175.35 174.35 2b8a n GLY 22 N 5.03 2.24 3.48 0.59 0.00 -1.26 -5.06 105.19 110.20 2b8a n GLY 22 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.31 2.36 0.66 1.61 2.02 -0.89 -5.12 117.35 115.67 2b8a s TYR 23 Ca 0.00 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.31 2b8a s TYR 23 Cb 0.00 -1.07 0.03 0.00 -0.40 0.00 0.00 41.96 40.51 2b8a s TYR 23 CO 0.00 0.63 0.99 -1.25 -1.57 0.00 0.00 175.55 174.35 2b8a s PRO 24 N -3.24 2.66 -0.36 -1.71 0.04 -1.26 -3.82 135.00 127.31 2b8a s PRO 24 Ca 0.27 0.03 -0.39 0.00 0.04 0.00 0.00 61.00 60.95 2b8a s PRO 24 Cb -0.06 -2.18 -0.15 0.00 0.04 0.00 0.00 34.50 32.15 2b8a s PRO 24 CO 0.14 -0.96 2.00 0.72 0.04 0.00 0.00 177.00 178.94 2b8a n HIS 25 N -2.80 1.68 -3.66 0.56 8.25 -1.26 -4.65 115.22 113.34 2b8a n HIS 25 Ca 0.06 0.50 -0.36 0.00 -0.26 0.00 0.00 57.72 57.67 2b8a n HIS 25 Cb 0.58 -2.45 -0.08 0.00 1.12 0.00 0.00 29.99 29.17 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 5.54 3.44 -0.13 4.41 -0.11 -0.88 -4.85 118.94 126.37 2b8a s TRP 26 Ca 1.08 0.45 -0.34 0.00 1.22 0.00 0.00 56.10 58.50 2b8a s TRP 26 Cb -1.09 -2.22 -0.12 0.00 -1.50 0.00 0.00 33.47 28.54 2b8a s TRP 26 CO 0.60 0.30 1.91 -0.35 -4.62 0.00 0.00 176.95 174.79 2b8a n PRO 27 N 3.44 2.04 -4.16 5.86 -0.04 -1.26 -2.52 135.00 138.35 2b8a n PRO 27 Ca -0.15 0.73 -0.14 0.00 -0.04 0.00 0.00 63.50 63.90 2b8a n PRO 27 Cb 0.52 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 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 4.43 1.04 0.05 0.55 0.00 -0.12 -2.30 121.76 125.40 2b8a s ALA 28 Ca 0.95 -1.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 2b8a s ALA 28 Cb -0.71 1.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 2b8a s ALA 28 CO 0.52 -0.71 0.05 0.50 0.00 0.00 0.00 175.76 176.12 2b8a s ARG 29 N -3.59 0.59 0.21 0.00 3.52 -0.95 -0.95 118.95 117.77 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 0.22 -0.08 0.00 -1.56 0.00 0.00 34.95 33.55 2b8a s ARG 29 CO 0.18 -0.14 0.95 0.42 -0.81 0.00 0.00 175.30 175.90 2b8a s ILE 30 N -3.02 4.16 0.00 4.11 -1.09 -0.22 -1.82 121.20 123.32 2b8a s ILE 30 Ca -0.01 2.08 0.00 0.00 -2.23 0.00 0.00 60.65 60.48 2b8a s ILE 30 Cb 0.01 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2b8a s ILE 30 CO -0.07 0.46 0.00 -0.67 -1.23 0.00 0.00 174.94 173.43 2b8a n ASP 31 N 1.78 3.95 -3.53 3.58 2.03 -0.92 0.02 116.55 123.46 2b8a n ASP 31 Ca -0.01 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.15 2b8a n ASP 31 Cb 0.47 0.76 -0.05 0.00 -0.72 0.00 0.00 41.12 41.58 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 -1.60 0.94 0.43 -0.67 2.02 -1.24 -4.88 118.70 113.71 2b8a s GLU 32 Ca 0.00 0.14 -0.02 0.00 0.02 0.00 0.00 54.97 55.12 2b8a s GLU 32 Cb 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 34.13 34.65 2b8a s GLU 32 CO 0.00 -0.31 0.67 -1.64 0.02 0.00 0.00 175.26 174.00 2b8a s MET 33 N -1.47 3.34 -0.30 1.61 -1.94 -1.26 -3.26 119.30 116.01 2b8a s MET 33 Ca -0.07 -0.21 -0.24 0.00 -1.71 0.00 0.00 55.69 53.46 2b8a s MET 33 Cb -0.00 -2.53 0.00 0.00 2.01 0.00 0.00 34.83 34.32 2b8a s MET 33 CO 0.05 -0.13 0.84 -1.25 -0.01 0.00 0.00 175.02 174.52 2b8a s PRO 34 N -4.55 4.00 0.00 2.03 0.04 -1.26 -4.86 135.00 130.40 2b8a s PRO 34 Ca 0.45 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2b8a s PRO 34 Cb -0.10 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.72 2b8a s PRO 34 CO 0.40 -0.70 0.05 0.39 0.04 0.00 0.00 177.00 177.18 2b8a n GLU 35 N 6.29 0.00 0.12 4.56 4.71 -1.26 -5.00 120.64 130.05 2b8a n GLU 35 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2b8a n GLU 35 Cb 0.48 -0.33 0.00 0.00 -1.01 0.00 0.00 31.44 30.58 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 -1.98 0.00 -1.79 0.62 0.00 -1.26 -5.00 120.51 111.09 2b8a n ALA 36 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2b8a n ALA 36 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.24 1.83 1.37 0.00 0.00 -1.26 -4.43 120.51 114.78 2b8a n ALA 37 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.22 2b8a n ALA 37 Cb 0.00 -0.23 0.46 0.00 0.00 0.00 0.00 19.45 19.67 2b8a n ALA 37 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2b8a n VAL 38 N 0.00 0.00 -3.79 0.00 0.24 -1.26 -4.96 118.33 108.57 2b8a n VAL 38 Ca -0.14 -0.18 -0.06 0.00 -2.04 0.00 0.00 64.34 61.92 2b8a n VAL 38 Cb 0.50 0.42 0.02 0.00 -1.47 0.00 0.00 33.84 33.31 2b8a n VAL 38 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2b8a n LYS 39 N -0.29 0.85 -0.86 7.34 2.85 -1.26 -5.03 118.16 121.76 2b8a n LYS 39 Ca 0.15 -1.75 -0.27 0.00 -1.05 0.00 0.00 58.31 55.39 2b8a n LYS 39 Cb 0.35 2.25 -0.03 0.00 -0.65 0.00 0.00 35.03 36.95 2b8a n LYS 39 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2b8a n SER 40 N -1.38 4.38 0.00 -5.58 3.41 -1.26 -3.65 113.62 109.54 2b8a n SER 40 Ca -0.05 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 2b8a n SER 40 Cb 0.54 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 2b8a n SER 40 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2b8a n THR 41 N 4.63 0.00 0.00 6.66 5.66 -1.26 -5.04 114.28 124.93 2b8a n THR 41 Ca 0.46 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 2b8a n THR 41 Cb 0.20 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 2b8a n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2b8a n ALA 42 N -0.65 0.00 -2.70 1.79 0.00 -1.24 -0.60 120.51 117.11 2b8a n ALA 42 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2b8a n ALA 42 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2b8a n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2b8a n ASN 43 N 1.04 -1.11 -4.13 0.00 6.94 -1.26 -4.42 115.26 112.33 2b8a n ASN 43 Ca 0.00 -2.59 -0.10 0.00 -0.02 0.00 0.00 54.58 51.87 2b8a n ASN 43 Cb 0.00 0.68 -0.09 0.00 -2.36 0.00 0.00 39.78 38.00 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2b8a s LYS 44 N -0.61 1.04 0.31 -3.83 1.02 0.23 -4.84 119.74 113.05 2b8a s LYS 44 Ca 0.23 -1.43 -0.01 0.00 0.02 0.00 0.00 55.97 54.78 2b8a s LYS 44 Cb 0.41 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.95 2b8a s LYS 44 CO -0.06 -0.32 0.53 0.71 -0.92 0.00 0.00 175.35 175.29 2b8a s TYR 45 N -4.06 3.49 -0.45 3.18 1.51 0.63 -4.25 117.35 117.40 2b8a s TYR 45 Ca 0.26 0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 56.59 2b8a s TYR 45 Cb 0.07 -1.94 0.05 0.00 -0.11 0.00 0.00 41.96 40.02 2b8a s TYR 45 CO 0.04 0.17 0.40 -1.14 -1.11 0.00 0.00 175.55 173.90 2b8a s GLN 46 N -3.99 3.01 -0.06 -0.62 0.74 -1.20 -1.94 119.66 115.60 2b8a s GLN 46 Ca 0.41 -1.11 -0.03 0.00 0.05 0.00 0.00 55.36 54.68 2b8a s GLN 46 Cb -0.10 -4.06 -0.04 0.00 1.10 0.00 0.00 33.01 29.92 2b8a s GLN 46 CO 0.34 -0.93 0.08 0.08 -0.55 0.00 0.00 175.29 174.31 2b8a s VAL 47 N 1.83 4.88 -0.24 1.34 1.01 -0.66 -2.17 120.40 126.40 2b8a s VAL 47 Ca 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 2b8a s VAL 47 Cb -0.21 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2b8a s VAL 47 CO 0.09 0.48 0.07 0.12 0.00 0.00 0.00 175.10 175.87 2b8a s PHE 48 N -1.08 3.11 -0.49 5.22 5.36 -0.75 -2.57 117.98 126.78 2b8a s PHE 48 Ca 0.19 -0.32 -0.19 0.00 -0.96 0.00 0.00 56.93 55.65 2b8a s PHE 48 Cb -0.12 -2.21 0.05 0.00 -0.34 0.00 0.00 43.02 40.40 2b8a s PHE 48 CO 0.09 -0.26 0.61 -0.06 -1.46 0.00 0.00 175.22 174.13 2b8a s PHE 49 N 1.39 3.06 1.32 10.12 0.08 0.13 -2.25 117.98 131.83 2b8a s PHE 49 Ca 0.05 -0.45 -0.20 0.00 0.12 0.00 0.00 56.93 56.45 2b8a s PHE 49 Cb -0.15 -3.44 0.31 0.00 -0.57 0.00 0.00 43.02 39.18 2b8a s PHE 49 CO 0.04 -0.97 0.75 1.19 -0.10 0.00 0.00 175.22 176.12 2b8a n PHE 50 N 6.12 -2.91 0.00 0.36 3.72 -0.97 0.96 117.46 124.74 2b8a n PHE 50 Ca -0.06 -0.49 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 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 1.84 0.78 0.10 1.37 0.00 -1.25 -3.42 105.19 104.61 2b8a n GLY 51 Ca 0.09 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 0.93 -2.67 2.61 -2.24 -1.24 -4.76 114.28 106.92 2b8a n THR 52 Ca 0.00 -0.63 -0.16 0.00 -2.27 0.00 0.00 64.05 61.00 2b8a n THR 52 Cb 0.00 -0.56 0.02 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.79 -1.22 -3.34 4.78 -0.00 0.27 -5.00 115.22 107.93 2b8a n HIS 53 Ca -0.05 0.28 -0.31 0.00 -0.00 0.00 0.00 57.72 57.63 2b8a n HIS 53 Cb 0.71 -3.39 -0.05 0.00 -0.00 0.00 0.00 29.99 27.26 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 -5.20 3.80 -0.01 -0.41 2.02 -0.81 -4.81 118.70 113.28 2b8a s GLU 54 Ca 0.16 0.29 0.07 0.00 0.02 0.00 0.00 54.97 55.52 2b8a s GLU 54 Cb -0.07 -2.61 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 2b8a s GLU 54 CO 0.20 0.26 -0.24 0.95 0.02 0.00 0.00 175.26 176.45 2b8a s THR 55 N -1.91 1.88 0.24 3.63 -4.23 -1.26 0.22 115.64 114.20 2b8a s THR 55 Ca 0.48 -1.06 -0.16 0.00 -1.18 0.00 0.00 61.69 59.76 2b8a s THR 55 Cb -0.11 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.17 2b8a s THR 55 CO 0.23 0.49 0.54 0.00 -0.54 0.00 0.00 174.62 175.34 2b8a s ALA 56 N -0.60 -0.69 -0.19 3.99 0.00 -1.06 -5.03 121.76 118.18 2b8a s ALA 56 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 2b8a s ALA 56 Cb -0.09 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2b8a s ALA 56 CO -0.00 -0.88 -0.02 -0.06 0.00 0.00 0.00 175.76 174.80 2b8a s PHE 57 N -3.95 3.01 0.07 0.00 0.40 -1.26 -1.65 117.98 114.61 2b8a s PHE 57 Ca 0.15 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 2b8a s PHE 57 Cb -0.02 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 2b8a s PHE 57 CO 0.04 -0.23 -0.03 -0.51 0.70 0.00 0.00 175.22 175.20 2b8a s LEU 58 N 0.89 2.41 0.00 -0.37 1.43 -0.82 -4.89 118.68 117.33 2b8a s LEU 58 Ca 0.00 -1.03 -0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2b8a s LEU 58 Cb -0.14 0.17 0.15 0.00 0.03 0.00 0.00 46.19 46.39 2b8a s LEU 58 CO 0.02 -0.59 1.02 0.61 0.23 0.00 0.00 176.35 177.63 2b8a n GLY 59 N 0.06 0.63 0.22 -3.19 0.00 -1.26 -0.27 105.19 101.39 2b8a n GLY 59 Ca -0.13 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 43.94 2b8a n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b8a h PRO 60 N 0.00 0.00 0.00 1.61 0.13 -1.93 -2.39 132.00 129.42 2b8a h PRO 60 Ca -0.34 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 2b8a h PRO 60 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2b8a h PRO 60 CO 0.36 0.25 -0.12 0.87 -0.23 0.00 0.00 178.00 179.12 2b8a h LYS 61 N 0.00 0.00 -0.28 0.86 1.79 -1.97 -2.51 116.57 114.47 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 0.03 0.12 0.00 -0.25 -1.08 0.00 0.00 179.45 178.28 2b8a n ASP 62 N -3.32 3.20 -4.45 0.86 8.00 -0.91 -4.91 116.55 115.02 2b8a n ASP 62 Ca -0.00 -1.97 -0.33 0.00 0.71 0.00 0.00 54.79 53.21 2b8a n ASP 62 Cb 0.34 -0.17 -0.14 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.63 2.63 0.18 0.64 1.43 -0.94 -1.25 118.68 119.73 2b8a s LEU 63 Ca 0.36 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2b8a s LEU 63 Cb 0.22 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2b8a s LEU 63 CO 0.31 0.34 0.05 -0.36 0.23 0.00 0.00 176.35 176.91 2b8a s PHE 64 N -0.67 1.18 -0.36 0.29 0.40 -0.54 -4.92 117.98 113.36 2b8a s PHE 64 Ca 0.10 -1.14 -0.29 0.00 -0.60 0.00 0.00 56.93 55.00 2b8a s PHE 64 Cb -0.11 -0.67 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 2b8a s PHE 64 CO 0.00 -0.36 1.50 -2.14 0.70 0.00 0.00 175.22 174.92 2b8a s PRO 65 N -4.00 3.59 0.12 0.24 0.02 -1.26 -1.03 135.00 132.68 2b8a s PRO 65 Ca 0.28 1.14 -0.32 0.00 0.02 0.00 0.00 61.00 62.13 2b8a s PRO 65 Cb 0.07 -4.04 -0.09 0.00 0.02 0.00 0.00 34.50 30.45 2b8a s PRO 65 CO 0.06 -1.55 1.57 -0.92 -0.33 0.00 0.00 177.00 175.84 2b8a h TYR 66 N 10.97 -1.38 -0.96 6.54 3.20 -1.71 0.78 116.97 134.42 2b8a h TYR 66 Ca -0.29 0.05 0.22 0.00 3.14 0.00 0.00 58.73 61.85 2b8a h TYR 66 Cb 1.12 0.61 -0.12 0.00 1.54 0.00 0.00 36.73 39.89 2b8a h TYR 66 CO 0.95 -0.52 0.52 0.93 -1.64 0.00 0.00 178.16 178.40 2b8a h GLU 67 N -0.58 0.53 -0.30 1.82 5.08 -1.92 0.75 114.58 119.97 2b8a h GLU 67 Ca 0.05 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 2b8a h GLU 67 Cb 0.67 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2b8a h GLU 67 CO -0.38 0.35 -0.52 0.93 -1.00 0.00 0.00 179.01 178.39 2b8a h GLU 68 N 0.55 0.87 -0.57 2.33 4.39 -1.68 -3.27 114.58 117.21 2b8a h GLU 68 Ca 0.59 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2b8a h GLU 68 Cb 1.08 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2b8a h GLU 68 CO -0.47 1.18 0.00 0.43 -1.16 0.00 0.00 179.01 178.98 2b8a n SER 69 N -4.01 4.26 -0.21 1.42 7.64 0.17 -4.58 113.62 118.30 2b8a n SER 69 Ca -0.04 -2.37 -0.01 0.00 1.01 0.00 0.00 58.87 57.46 2b8a n SER 69 Cb 0.61 -0.50 0.10 0.00 -1.01 0.00 0.00 64.21 63.41 2b8a n SER 69 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2b8a h LYS 70 N 3.52 0.52 -0.53 1.43 1.57 0.38 1.00 116.57 124.46 2b8a h LYS 70 Ca 0.00 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2b8a h LYS 70 Cb 1.27 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2b8a h LYS 70 CO 0.16 0.34 -0.05 0.93 -0.57 0.00 0.00 179.45 180.26 2b8a h GLU 71 N 0.54 0.98 0.14 3.15 5.08 -1.84 1.19 114.58 123.81 2b8a h GLU 71 Ca 0.29 -0.34 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 2b8a h GLU 71 Cb 0.27 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2b8a h GLU 71 CO -0.23 1.01 -1.13 0.87 -1.00 0.00 0.00 179.01 178.53 2b8a h LYS 72 N 0.85 0.29 0.00 2.33 6.56 -1.77 -3.38 116.57 121.45 2b8a h LYS 72 Ca 0.14 -0.50 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 2b8a h LYS 72 Cb 0.61 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 2b8a h LYS 72 CO 0.04 1.24 -1.45 1.19 -2.06 0.00 0.00 179.45 178.40 2b8a n PHE 73 N -4.01 0.51 -2.43 -1.35 3.72 0.34 -4.65 117.46 109.59 2b8a n PHE 73 Ca -0.19 0.15 -0.43 0.00 -0.05 0.00 0.00 57.45 56.93 2b8a n PHE 73 Cb 0.88 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.22 4.05 3.24 1.37 0.00 0.41 -4.85 105.19 110.63 2b8a n GLY 74 Ca -0.02 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 1.66 0.75 0.79 1.61 1.02 -1.26 -4.74 119.74 119.57 2b8a s LYS 75 Ca 0.44 -0.44 -0.15 0.00 0.02 0.00 0.00 55.97 55.83 2b8a s LYS 75 Cb 0.06 0.33 -0.01 0.00 -0.52 0.00 0.00 37.83 37.68 2b8a s LYS 75 CO -0.00 -0.23 0.53 -0.35 -0.92 0.00 0.00 175.35 174.37 2b8a n PRO 76 N 0.78 0.15 -4.22 -1.68 -0.04 -1.26 -4.81 135.00 123.91 2b8a n PRO 76 Ca -0.19 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 2b8a n PRO 76 Cb 0.58 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.08 2b8a n PRO 76 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2b8a s ASN 77 N -1.64 0.92 0.19 3.54 2.47 -1.26 -5.00 114.94 114.16 2b8a s ASN 77 Ca 0.64 -1.22 0.24 0.00 0.42 0.00 0.00 52.86 52.94 2b8a s ASN 77 Cb -0.31 0.18 0.41 0.00 -1.45 0.00 0.00 41.25 40.08 2b8a s ASN 77 CO 0.60 -0.64 1.42 0.11 -3.72 0.00 0.00 177.10 174.87 2b8a h LYS 78 N 2.70 0.00 0.00 0.43 1.79 -2.03 -3.27 116.57 116.19 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 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2b8a h LYS 78 CO 0.61 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.52 2b8a n ARG 79 N -2.32 0.14 -1.40 3.15 5.12 -1.26 -4.97 116.66 115.12 2b8a n ARG 79 Ca 0.03 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 2b8a n ARG 79 Cb 0.46 -1.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 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 -2.10 -3.95 0.00 5.56 4.76 -1.23 -4.77 118.16 116.42 2b8a n LYS 80 Ca 0.01 2.97 0.00 0.00 -2.87 0.00 0.00 58.31 58.42 2b8a n LYS 80 Cb 0.15 -3.41 0.00 0.00 -1.84 0.00 0.00 35.03 29.94 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 -1.21 2.71 0.38 0.72 0.00 -1.26 -4.90 105.19 101.64 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 -0.90 -0.67 1.61 3.04 -1.88 -2.90 116.94 115.24 2b8a h PHE 82 Ca 0.00 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.05 2b8a h PHE 82 Cb 0.00 0.31 -0.08 0.00 2.56 0.00 0.00 35.95 38.74 2b8a h PHE 82 CO 0.00 -0.54 0.23 0.77 -2.02 0.00 0.00 178.31 176.76 2b8a h SER 83 N -0.90 0.19 -1.14 0.41 0.02 -1.90 0.17 113.55 110.41 2b8a h SER 83 Ca -0.08 0.10 0.33 0.00 -0.84 0.00 0.00 61.79 61.30 2b8a h SER 83 Cb 0.71 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.30 2b8a h SER 83 CO 0.10 0.09 0.82 -0.08 -1.14 0.00 0.00 176.83 176.62 2b8a h GLU 84 N 0.39 0.01 -0.01 3.45 4.57 -1.88 0.76 114.58 121.87 2b8a h GLU 84 Ca 0.35 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.36 2b8a h GLU 84 Cb 0.50 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 2b8a h GLU 84 CO -0.37 0.01 -0.78 0.78 -1.18 0.00 0.00 179.01 177.46 2b8a h GLY 85 N 0.01 0.15 1.00 1.92 0.00 -0.56 -3.09 103.07 102.51 2b8a h GLY 85 Ca 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2b8a h GLY 85 CO -0.01 0.22 0.42 1.41 0.00 0.00 0.00 176.54 178.58 2b8a h LEU 86 N 0.09 0.77 -0.33 3.11 3.38 0.64 -1.29 115.31 121.68 2b8a h LEU 86 Ca -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2b8a h LEU 86 Cb 1.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2b8a h LEU 86 CO 0.11 0.58 0.11 -0.25 0.09 0.00 0.00 178.44 179.09 2b8a h TRP 87 N 0.89 0.52 0.06 1.13 7.01 -1.52 -3.06 115.95 120.98 2b8a h TRP 87 Ca 0.24 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 2b8a h TRP 87 Cb -0.07 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2b8a h TRP 87 CO -0.02 0.51 -0.03 0.93 -2.79 0.00 0.00 178.44 177.04 2b8a h GLU 88 N 0.38 -0.07 -0.50 2.65 5.08 -1.41 0.82 114.58 121.54 2b8a h GLU 88 Ca 0.11 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.62 2b8a h GLU 88 Cb 0.23 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2b8a h GLU 88 CO -0.01 0.08 0.46 0.97 -1.00 0.00 0.00 179.01 179.51 2b8a h ILE 89 N -0.21 0.45 0.00 3.13 2.10 -1.25 1.08 117.51 122.82 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 0.18 0.65 -0.07 0.00 -1.09 0.00 0.00 36.82 36.49 2b8a h ILE 89 CO 0.01 0.00 -2.46 -0.62 -1.08 0.00 0.00 178.15 174.00 2b8a n GLU 90 N -3.89 0.62 0.08 2.19 1.02 -1.00 -4.07 120.64 115.59 2b8a n GLU 90 Ca 0.09 0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 57.36 2b8a n GLU 90 Cb 0.67 -1.52 -0.11 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.48 0.13 -1.23 1.62 -0.26 0.96 -3.43 115.58 112.90 2b8a h ASN 91 Ca -0.63 -0.14 -0.16 0.00 -0.56 0.00 0.00 56.30 54.81 2b8a h ASN 91 Cb 1.76 -0.04 -0.21 0.00 -1.06 0.00 0.00 38.32 38.76 2b8a h ASN 91 CO -0.24 1.09 -0.53 0.21 -1.06 0.00 0.00 177.43 176.91 2b8a s ASN 92 N -6.85 -0.91 0.15 5.81 2.47 0.37 -5.00 114.94 110.99 2b8a s ASN 92 Ca -0.01 -1.27 0.22 0.00 0.42 0.00 0.00 52.86 52.23 2b8a s ASN 92 Cb 0.09 1.60 0.89 0.00 -1.45 0.00 0.00 41.25 42.37 2b8a s ASN 92 CO 0.84 -0.16 1.69 -2.65 -3.72 0.00 0.00 177.10 173.10 2b8a n PRO 93 N 3.94 0.14 -0.42 0.43 -0.02 -1.03 -2.70 135.00 135.34 2b8a n PRO 93 Ca 0.14 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 2b8a n PRO 93 Cb 0.54 -1.72 0.26 0.00 -0.02 0.00 0.00 33.50 32.56 2b8a n PRO 93 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2b8a n THR 94 N -1.97 1.69 -1.80 3.45 -2.24 -1.26 -4.98 114.28 107.16 2b8a n THR 94 Ca 0.04 -1.33 -0.36 0.00 -2.27 0.00 0.00 64.05 60.12 2b8a n THR 94 Cb 0.26 0.14 0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.85 2.31 -0.22 2.28 0.11 -1.10 -5.04 120.40 116.90 2b8a s VAL 95 Ca 0.39 0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 59.54 2b8a s VAL 95 Cb 0.26 -3.02 0.09 0.00 -1.53 0.00 0.00 36.38 32.18 2b8a s VAL 95 CO 0.17 -0.05 0.48 -1.59 -3.33 0.00 0.00 175.10 170.78 2b8a s LYS 96 N -3.44 0.41 0.00 1.54 -2.85 -1.26 -5.01 119.74 109.12 2b8a s LYS 96 Ca 0.79 1.08 0.00 0.00 -1.00 0.00 0.00 55.97 56.85 2b8a s LYS 96 Cb -0.33 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 2b8a s LYS 96 CO 0.38 -0.22 0.00 0.00 0.10 0.00 0.00 175.35 175.61 2b8a n ALA 97 N 5.14 0.00 -2.29 0.59 0.00 -1.26 -4.64 120.51 118.06 2b8a n ALA 97 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 2b8a n ALA 97 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.67 1.01 0.00 0.00 0.01 -1.26 -5.07 113.70 105.72 2b8a s SER 98 Ca 0.00 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.67 2b8a s SER 98 Cb 0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2b8a s SER 98 CO 0.00 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.28 2b8a n GLY 99 N -0.48 -1.89 5.84 3.44 0.00 -1.26 -4.96 105.19 105.88 2b8a n GLY 99 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2b8a n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2b8a n TYR 100 N 0.00 -2.31 0.00 1.61 4.01 -1.26 -4.88 117.16 114.33 2b8a n TYR 100 Ca 0.00 0.37 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 2b8a n TYR 100 Cb 0.00 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 2b8a n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b8a n GLN 101 N -2.40 0.00 -3.85 -0.72 10.64 -1.26 -5.14 117.38 114.65 2b8a n GLN 101 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 2b8a n GLN 101 Cb 0.13 -0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.39 2b8a n GLN 101 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2b8a s SER 102 N -1.60 -0.06 0.35 2.61 0.15 -1.26 -5.17 113.70 108.72 2b8a s SER 102 Ca 0.00 0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.79 2b8a s SER 102 Cb 0.00 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 2b8a s SER 102 CO 0.00 -0.16 0.19 -0.44 1.20 0.00 0.00 173.24 174.02 2b8a s SER 103 N -0.48 4.79 0.00 5.45 0.01 -1.26 -5.04 113.70 117.16 2b8a s SER 103 Ca -0.06 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.46 2b8a s SER 103 Cb -0.04 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.46 2b8a s SER 103 CO 0.00 -0.35 0.95 1.67 0.41 0.00 0.00 173.24 175.93 2b8a n GLN 104 N -1.22 0.00 -2.22 12.44 0.00 -1.26 -5.11 117.38 120.01 2b8a n GLN 104 Ca -0.02 -0.92 0.00 0.00 -0.00 0.00 0.00 57.00 56.06 2b8a n GLN 104 Cb 0.61 0.43 0.00 0.00 0.00 0.00 0.00 30.24 31.28 2b8a n GLN 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2b8a n LYS 105 N 0.01 -5.21 -3.59 3.69 4.81 -1.26 -4.91 118.16 111.70 2b8a n LYS 105 Ca -0.24 3.76 -0.38 0.00 -0.87 0.00 0.00 58.31 60.58 2b8a n LYS 105 Cb 0.69 -4.47 -0.06 0.00 0.02 0.00 0.00 35.03 31.21 2b8a n LYS 105 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2b8a s LYS 106 N -0.67 3.35 -0.05 1.64 3.01 -1.26 -4.67 119.74 121.08 2b8a s LYS 106 Ca 0.00 -3.15 0.02 0.00 -1.01 0.00 0.00 55.97 51.83 2b8a s LYS 106 Cb 0.00 -4.04 0.07 0.00 -1.01 0.00 0.00 37.83 32.85 2b8a s LYS 106 CO 0.00 -1.25 1.09 0.45 0.51 0.00 0.00 175.35 176.15 2b8a n SER 107 N 2.59 -1.04 -3.72 2.83 2.88 -1.26 -5.13 113.62 110.77 2b8a n SER 107 Ca 0.20 -2.03 -0.14 0.00 -1.33 0.00 0.00 58.87 55.57 2b8a n SER 107 Cb 0.38 0.35 -0.09 0.00 -0.75 0.00 0.00 64.21 64.10 2b8a n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b8a s ALA 109 N -0.69 3.72 0.00 0.00 0.00 -1.26 -5.20 121.76 118.33 2b8a s ALA 109 Ca -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 51.96 48.82 2b8a s ALA 109 Cb -0.04 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2b8a s ALA 109 CO 0.03 -2.73 0.00 -0.85 0.00 0.00 0.00 175.76 172.21