#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cri n SER 2 N 0.00 1.92 -4.20 1.61 2.88 -1.26 -4.98 113.62 109.59 2cri n SER 2 Ca 0.00 0.33 -0.31 0.00 -1.33 0.00 0.00 58.87 57.56 2cri n SER 2 Cb 0.00 -0.75 -0.09 0.00 -0.75 0.00 0.00 64.21 62.62 2cri n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cri n SER 3 N -4.37 0.31 0.00 -3.46 3.41 -1.26 -4.89 113.62 103.37 2cri n SER 3 Ca -0.26 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 2cri n SER 3 Cb 0.62 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2cri n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cri n GLY 4 N -2.14 4.89 4.13 5.00 0.00 -1.26 -4.85 105.19 110.97 2cri n GLY 4 Ca -0.21 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 2cri n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cri n SER 5 N 0.00 0.65 0.26 1.61 3.41 -1.26 -4.84 113.62 113.46 2cri n SER 5 Ca 0.00 -1.14 -0.13 0.00 -0.26 0.00 0.00 58.87 57.34 2cri n SER 5 Cb 0.00 -1.42 -0.07 0.00 -0.26 0.00 0.00 64.21 62.46 2cri n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2cri h SER 6 N -1.43 -0.60 -1.92 4.04 0.87 -2.00 -3.50 113.55 109.00 2cri h SER 6 Ca -0.59 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 2cri h SER 6 Cb 1.25 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 2cri h SER 6 CO 0.65 -0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 2cri n GLY 7 N -0.36 -0.99 3.53 5.77 0.00 -1.26 -4.79 105.19 107.09 2cri n GLY 7 Ca -0.10 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 2cri n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cri s MET 8 N -4.05 3.79 0.27 1.61 1.00 -1.26 -4.91 119.30 115.76 2cri s MET 8 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 55.69 55.28 2cri s MET 8 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 34.83 31.55 2cri s MET 8 CO 0.00 0.05 0.12 0.00 0.00 0.00 0.00 175.02 175.19 2cri s ALA 9 N 0.96 1.75 -0.19 3.03 0.00 -1.26 -5.15 121.76 120.90 2cri s ALA 9 Ca 0.03 -1.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.15 2cri s ALA 9 Cb -0.14 1.11 0.06 0.00 0.00 0.00 0.00 23.12 24.15 2cri s ALA 9 CO 0.03 -0.48 0.06 0.21 0.00 0.00 0.00 175.76 175.57 2cri s LYS 10 N -3.98 0.45 0.38 0.00 2.20 -1.26 -5.10 119.74 112.43 2cri s LYS 10 Ca 0.37 -0.33 0.08 0.00 -0.36 0.00 0.00 55.97 55.73 2cri s LYS 10 Cb 0.07 -2.00 -0.06 0.00 -1.51 0.00 0.00 37.83 34.33 2cri s LYS 10 CO 0.15 -0.67 0.06 -1.01 -0.36 0.00 0.00 175.35 173.52 2cri s HIS 11 N 1.95 2.55 -0.51 4.03 3.76 -1.26 -5.09 115.29 120.72 2cri s HIS 11 Ca 0.01 -0.55 0.07 0.00 -0.15 0.00 0.00 55.06 54.43 2cri s HIS 11 Cb -0.17 -1.71 0.26 0.00 1.11 0.00 0.00 32.58 32.07 2cri s HIS 11 CO -0.10 0.38 0.66 -0.85 -0.85 0.00 0.00 174.74 173.99 2cri n GLU 12 N -1.04 1.69 -4.34 1.40 0.28 -1.26 -5.06 120.64 112.31 2cri n GLU 12 Ca -0.03 -3.98 -0.28 0.00 -0.16 0.00 0.00 57.16 52.71 2cri n GLU 12 Cb 0.64 -1.77 -0.17 0.00 1.43 0.00 0.00 31.44 31.58 2cri n GLU 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2cri s GLN 13 N -1.98 2.08 0.32 3.44 0.74 -1.26 -4.85 119.66 118.14 2cri s GLN 13 Ca 0.38 -0.50 0.10 0.00 0.05 0.00 0.00 55.36 55.39 2cri s GLN 13 Cb 0.18 -1.82 0.92 0.00 1.10 0.00 0.00 33.01 33.39 2cri s GLN 13 CO -0.07 -0.10 1.69 0.97 -0.55 0.00 0.00 175.29 177.23 2cri h ILE 14 N 6.00 0.41 -3.80 -2.34 6.09 -1.97 -3.40 117.51 118.51 2cri h ILE 14 Ca -0.32 -0.14 -0.48 0.00 -1.37 0.00 0.00 64.86 62.55 2cri h ILE 14 Cb 1.16 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.39 2cri h ILE 14 CO 0.48 0.08 0.17 -0.76 -3.07 0.00 0.00 178.15 175.05 2cri s LEU 15 N -10.43 4.08 -0.39 2.19 1.43 -1.26 -4.28 118.68 110.02 2cri s LEU 15 Ca -0.11 1.42 -0.07 0.00 -1.03 0.00 0.00 54.13 54.35 2cri s LEU 15 Cb 0.28 -4.13 0.07 0.00 0.03 0.00 0.00 46.19 42.44 2cri s LEU 15 CO 0.79 -0.21 0.19 -0.69 0.23 0.00 0.00 176.35 176.66 2cri s VAL 16 N -1.96 3.82 0.49 -1.59 1.01 -0.53 -4.99 120.40 116.64 2cri s VAL 16 Ca 0.55 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 2cri s VAL 16 Cb -0.11 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 2cri s VAL 16 CO 0.17 -0.43 1.00 -0.76 0.00 0.00 0.00 175.10 175.08 2cri s LEU 17 N 1.35 3.78 -0.07 3.92 1.02 -1.26 -0.60 118.68 126.82 2cri s LEU 17 Ca 0.02 1.75 -0.02 0.00 0.02 0.00 0.00 54.13 55.89 2cri s LEU 17 Cb -0.22 -4.54 0.04 0.00 0.02 0.00 0.00 46.19 41.49 2cri s LEU 17 CO 0.01 -0.64 0.06 -0.62 0.02 0.00 0.00 176.35 175.18 2cri s ASP 18 N -2.41 1.40 0.26 2.29 -1.08 0.18 -0.43 116.67 116.88 2cri s ASP 18 Ca 0.63 -0.06 -0.30 0.00 -0.52 0.00 0.00 52.55 52.31 2cri s ASP 18 Cb -0.12 -0.19 -0.09 0.00 -1.46 0.00 0.00 42.92 41.06 2cri s ASP 18 CO 0.22 -0.26 1.26 -2.16 0.52 0.00 0.00 175.17 174.75 2cri s PRO 19 N 2.14 4.43 0.33 4.34 0.04 -1.26 -1.34 135.00 143.68 2cri s PRO 19 Ca 0.04 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.25 2cri s PRO 19 Cb -0.13 -3.16 0.55 0.00 0.04 0.00 0.00 34.50 31.81 2cri s PRO 19 CO -0.04 -0.14 1.73 -1.00 0.04 0.00 0.00 177.00 177.59 2cri h PRO 20 N 4.43 0.00 0.00 0.56 0.13 -1.12 -3.37 132.00 132.64 2cri h PRO 20 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2cri h PRO 20 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cri h PRO 20 CO 0.71 0.49 0.00 0.43 -0.23 0.00 0.00 178.00 179.40 2cri n SER 21 N -3.95 0.00 -3.90 1.44 7.64 -1.26 -4.91 113.62 108.67 2cri n SER 21 Ca -0.02 0.27 -0.10 0.00 1.01 0.00 0.00 58.87 60.03 2cri n SER 21 Cb 0.50 -0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 63.40 2cri n SER 21 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2cri s ASP 22 N -1.86 0.11 -0.34 6.43 -4.77 -1.26 -4.29 116.67 110.68 2cri s ASP 22 Ca 0.00 -0.37 -0.20 0.00 -3.30 0.00 0.00 52.55 48.68 2cri s ASP 22 Cb 0.00 0.21 -0.00 0.00 -1.09 0.00 0.00 42.92 42.03 2cri s ASP 22 CO 0.00 -0.43 0.59 -0.22 0.70 0.00 0.00 175.17 175.82 2cri s LEU 23 N -1.72 4.26 -0.20 2.11 2.96 -1.12 -4.56 118.68 120.41 2cri s LEU 23 Ca -0.11 0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.79 2cri s LEU 23 Cb -0.05 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 2cri s LEU 23 CO -0.01 -0.54 0.36 -0.54 -1.32 0.00 0.00 176.35 174.30 2cri s LYS 24 N 2.59 4.16 -0.10 1.98 1.02 -1.26 -0.30 119.74 127.83 2cri s LYS 24 Ca 0.23 0.14 -0.05 0.00 0.02 0.00 0.00 55.97 56.31 2cri s LYS 24 Cb -0.15 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2cri s LYS 24 CO 0.14 -0.01 0.09 -0.06 -0.92 0.00 0.00 175.35 174.58 2cri s PHE 25 N 1.24 3.42 -0.31 3.18 0.40 0.08 -4.97 117.98 121.01 2cri s PHE 25 Ca 0.17 0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.80 2cri s PHE 25 Cb -0.14 -1.87 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 2cri s PHE 25 CO 0.07 0.63 0.14 0.21 0.70 0.00 0.00 175.22 176.97 2cri s LYS 26 N -1.02 3.36 0.00 0.44 2.20 -1.26 -1.37 119.74 122.10 2cri s LYS 26 Ca 0.15 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2cri s LYS 26 Cb -0.12 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 2cri s LYS 26 CO 0.04 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.04 2cri n GLY 27 N 4.97 -2.92 3.77 5.54 0.00 -0.34 -4.88 105.19 111.32 2cri n GLY 27 Ca -0.14 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2cri n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cri s PRO 28 N -0.54 2.49 -0.33 1.61 0.04 -1.26 -4.61 135.00 132.39 2cri s PRO 28 Ca 0.00 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.32 2cri s PRO 28 Cb 0.00 -1.92 0.41 0.00 0.04 0.00 0.00 34.50 33.03 2cri s PRO 28 CO 0.00 -1.48 1.71 1.19 0.04 0.00 0.00 177.00 178.46 2cri n PHE 29 N -3.06 2.08 -0.03 0.56 3.72 -1.26 -4.04 117.46 115.42 2cri n PHE 29 Ca 0.10 -1.62 0.05 0.00 -0.05 0.00 0.00 57.45 55.92 2cri n PHE 29 Cb 0.53 -0.81 -0.16 0.00 -0.94 0.00 0.00 39.48 38.09 2cri n PHE 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2cri n THR 30 N -0.49 0.44 -4.47 4.37 -2.24 -1.26 -3.26 114.28 107.36 2cri n THR 30 Ca 0.40 -0.61 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 2cri n THR 30 Cb 1.13 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 69.12 2cri n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cri s ASP 31 N -4.84 2.50 0.02 3.42 2.15 -1.26 -4.79 116.67 113.87 2cri s ASP 31 Ca -0.08 -1.59 -0.33 0.00 0.43 0.00 0.00 52.55 50.98 2cri s ASP 31 Cb 0.11 0.36 -0.12 0.00 -0.30 0.00 0.00 42.92 42.97 2cri s ASP 31 CO 0.88 -0.85 1.81 0.52 -0.17 0.00 0.00 175.17 177.36 2cri n VAL 32 N -0.81 0.42 -3.69 1.11 0.31 -1.26 -4.09 118.33 110.33 2cri n VAL 32 Ca -0.04 -0.08 -0.37 0.00 -0.01 0.00 0.00 64.34 63.85 2cri n VAL 32 Cb 0.65 -1.88 -0.07 0.00 -0.91 0.00 0.00 33.84 31.64 2cri n VAL 32 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2cri s VAL 33 N 3.12 5.35 -0.23 2.52 1.01 -0.88 -4.95 120.40 126.34 2cri s VAL 33 Ca 0.87 0.42 0.00 0.00 0.00 0.00 0.00 61.98 63.27 2cri s VAL 33 Cb -0.63 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.24 2cri s VAL 33 CO 0.45 0.52 -0.12 -0.89 0.00 0.00 0.00 175.10 175.06 2cri s THR 34 N -0.38 2.49 0.06 3.92 2.01 -1.26 -1.39 115.64 121.10 2cri s THR 34 Ca 0.16 -1.08 0.09 0.00 0.31 0.00 0.00 61.69 61.17 2cri s THR 34 Cb -0.13 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2cri s THR 34 CO 0.05 0.29 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.13 2cri s THR 35 N 1.28 2.30 -0.24 -0.82 2.01 0.01 -4.96 115.64 115.21 2cri s THR 35 Ca 0.00 -1.42 -0.09 0.00 0.31 0.00 0.00 61.69 60.49 2cri s THR 35 Cb -0.16 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 2cri s THR 35 CO -0.07 0.31 0.13 0.20 -0.69 0.00 0.00 174.62 174.50 2cri s ASN 36 N -1.44 5.81 -0.41 3.53 -0.87 -1.26 -0.23 114.94 120.06 2cri s ASN 36 Ca 0.13 0.00 -0.06 0.00 -1.57 0.00 0.00 52.86 51.36 2cri s ASN 36 Cb -0.10 -2.05 0.09 0.00 -0.02 0.00 0.00 41.25 39.17 2cri s ASN 36 CO 0.04 0.03 0.22 -0.22 -2.57 0.00 0.00 177.10 174.59 2cri s LEU 37 N 1.27 5.10 0.18 0.60 0.20 -0.71 -4.83 118.68 120.50 2cri s LEU 37 Ca 0.06 -1.71 -0.30 0.00 0.69 0.00 0.00 54.13 52.87 2cri s LEU 37 Cb -0.14 -1.90 -0.08 0.00 -0.43 0.00 0.00 46.19 43.64 2cri s LEU 37 CO 0.06 -0.53 1.06 -0.54 -0.29 0.00 0.00 176.35 176.11 2cri s LYS 38 N 1.30 4.64 -0.27 1.98 1.02 -0.45 -2.75 119.74 125.21 2cri s LYS 38 Ca 0.04 1.67 -0.00 0.00 0.02 0.00 0.00 55.97 57.69 2cri s LYS 38 Cb -0.23 -3.28 0.08 0.00 -0.52 0.00 0.00 37.83 33.88 2cri s LYS 38 CO -0.01 0.15 0.03 -0.51 -0.92 0.00 0.00 175.35 174.10 2cri s LEU 39 N -0.51 2.39 0.44 3.17 1.43 -0.48 0.49 118.68 125.60 2cri s LEU 39 Ca 0.48 -1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.15 2cri s LEU 39 Cb -0.28 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2cri s LEU 39 CO 0.34 -0.33 0.72 -1.58 0.23 0.00 0.00 176.35 175.73 2cri s GLN 40 N 1.52 3.56 -0.31 1.70 0.74 0.23 -2.06 119.66 125.04 2cri s GLN 40 Ca 0.03 0.10 -0.02 0.00 0.05 0.00 0.00 55.36 55.53 2cri s GLN 40 Cb -0.18 -2.45 0.10 0.00 1.10 0.00 0.00 33.01 31.58 2cri s GLN 40 CO -0.14 -0.10 0.12 1.21 -0.55 0.00 0.00 175.29 175.84 2cri s ASN 41 N -3.96 3.79 0.35 6.67 3.84 -1.04 -1.45 114.94 123.15 2cri s ASN 41 Ca 0.46 -1.60 0.14 0.00 0.21 0.00 0.00 52.86 52.07 2cri s ASN 41 Cb -0.10 -0.68 0.65 0.00 -0.55 0.00 0.00 41.25 40.57 2cri s ASN 41 CO 0.41 -0.41 1.76 1.55 -2.79 0.00 0.00 177.10 177.62 2cri h PRO 42 N 8.07 0.00 -7.24 0.43 0.13 -1.91 -2.33 132.00 129.15 2cri h PRO 42 Ca -0.14 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.50 2cri h PRO 42 Cb 1.01 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.33 2cri h PRO 42 CO 0.45 0.43 0.16 -1.54 -0.23 0.00 0.00 178.00 177.27 2cri s SER 43 N -6.75 2.41 -0.37 1.44 1.04 -1.26 -4.79 113.70 105.42 2cri s SER 43 Ca -0.02 1.93 0.07 0.00 0.48 0.00 0.00 55.95 58.42 2cri s SER 43 Cb 0.13 -2.47 0.66 0.00 0.10 0.00 0.00 66.02 64.44 2cri s SER 43 CO 0.72 -3.38 1.78 0.47 0.98 0.00 0.00 173.24 173.81 2cri n ASP 44 N -4.40 3.85 -3.73 7.02 8.00 -1.26 -3.53 116.55 122.50 2cri n ASP 44 Ca 0.09 -3.50 -0.14 0.00 0.71 0.00 0.00 54.79 51.95 2cri n ASP 44 Cb 0.53 -0.76 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cri s ARG 45 N -3.18 0.67 0.56 -1.24 1.70 -1.26 -4.88 118.95 111.33 2cri s ARG 45 Ca 0.53 0.02 -0.19 0.00 -0.47 0.00 0.00 55.73 55.63 2cri s ARG 45 Cb 0.45 0.30 -0.08 0.00 -0.57 0.00 0.00 34.95 35.06 2cri s ARG 45 CO 0.10 -0.17 0.67 1.63 -1.08 0.00 0.00 175.30 176.44 2cri n LYS 46 N 1.57 0.66 -3.62 3.89 5.02 -1.26 -4.49 118.16 119.92 2cri n LYS 46 Ca -0.19 0.25 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 2cri n LYS 46 Cb 0.56 -1.84 -0.15 0.00 -0.02 0.00 0.00 35.03 33.59 2cri n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2cri s VAL 47 N -1.63 -0.27 0.22 -0.18 1.01 -1.25 -2.58 120.40 115.71 2cri s VAL 47 Ca 0.70 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 2cri s VAL 47 Cb -0.45 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 2cri s VAL 47 CO 0.52 0.02 1.20 0.00 0.00 0.00 0.00 175.10 176.84 2cri s PHE 49 N -0.36 1.03 -0.09 0.00 -0.12 -0.98 -1.13 117.98 116.33 2cri s PHE 49 Ca 0.51 -0.22 0.02 0.00 -0.05 0.00 0.00 56.93 57.19 2cri s PHE 49 Cb -0.34 -0.65 0.01 0.00 -0.63 0.00 0.00 43.02 41.41 2cri s PHE 49 CO 0.39 -0.01 -0.16 0.15 -0.05 0.00 0.00 175.22 175.54 2cri s LYS 50 N -0.43 2.24 -0.29 1.99 -0.14 -0.65 -3.28 119.74 119.19 2cri s LYS 50 Ca 0.04 -0.59 -0.18 0.00 -1.36 0.00 0.00 55.97 53.87 2cri s LYS 50 Cb -0.05 -1.82 -0.02 0.00 -1.68 0.00 0.00 37.83 34.26 2cri s LYS 50 CO -0.00 0.03 0.54 0.08 -0.76 0.00 0.00 175.35 175.24 2cri s VAL 51 N 0.70 5.03 -0.06 3.17 1.01 -1.16 -2.11 120.40 126.99 2cri s VAL 51 Ca -0.13 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 2cri s VAL 51 Cb -0.16 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.36 2cri s VAL 51 CO 0.03 -0.02 0.08 -0.54 0.00 0.00 0.00 175.10 174.65 2cri s LYS 52 N 2.40 -0.05 0.36 2.72 1.02 -1.16 -4.97 119.74 120.05 2cri s LYS 52 Ca 0.22 0.37 0.09 0.00 0.02 0.00 0.00 55.97 56.66 2cri s LYS 52 Cb -0.15 -0.58 -0.06 0.00 -0.52 0.00 0.00 37.83 36.51 2cri s LYS 52 CO 0.10 -0.35 -0.01 -0.08 -0.92 0.00 0.00 175.35 174.09 2cri s THR 53 N 2.18 2.38 0.38 2.17 -1.32 -1.26 -2.54 115.64 117.63 2cri s THR 53 Ca 0.05 -2.04 0.09 0.00 -1.21 0.00 0.00 61.69 58.58 2cri s THR 53 Cb -0.12 -2.79 0.16 0.00 -1.51 0.00 0.00 72.50 68.24 2cri s THR 53 CO -0.04 -0.16 1.90 0.71 -2.21 0.00 0.00 174.62 174.83 2cri h THR 54 N 1.85 1.18 -2.51 5.08 1.35 -1.88 -3.25 112.91 114.73 2cri h THR 54 Ca -0.43 -0.79 -0.68 0.00 -0.55 0.00 0.00 66.41 63.96 2cri h THR 54 Cb 1.25 1.17 -0.36 0.00 -1.73 0.00 0.00 68.15 68.48 2cri h THR 54 CO 0.70 0.25 -0.04 0.00 -0.25 0.00 0.00 175.52 176.19 2cri n ALA 55 N -2.49 4.51 -0.08 6.62 0.00 -1.26 -4.86 120.51 122.94 2cri n ALA 55 Ca -0.00 -4.79 -0.13 0.00 0.00 0.00 0.00 53.44 48.52 2cri n ALA 55 Cb 0.27 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 2cri n ALA 55 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2cri h PRO 56 N 4.71 0.62 0.00 0.00 0.13 -1.83 0.15 132.00 135.77 2cri h PRO 56 Ca 0.20 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2cri h PRO 56 Cb 0.65 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 2cri h PRO 56 CO 1.03 0.93 -0.02 -0.09 -0.23 0.00 0.00 178.00 179.62 2cri h ARG 57 N 0.33 0.00 0.00 0.86 9.65 -1.92 -1.87 114.38 121.43 2cri h ARG 57 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 2cri h ARG 57 Cb 0.81 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 2cri h ARG 57 CO 0.06 0.02 -1.46 -2.13 2.80 0.00 0.00 179.97 179.26 2cri n ARG 58 N -3.19 0.76 -4.55 0.20 0.63 -1.12 -4.94 116.66 104.46 2cri n ARG 58 Ca -0.02 -0.10 -0.34 0.00 -0.92 0.00 0.00 57.85 56.47 2cri n ARG 58 Cb 0.17 -1.40 -0.12 0.00 0.45 0.00 0.00 32.46 31.56 2cri n ARG 58 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2cri s TYR 59 N -3.05 2.97 -0.46 -0.14 1.51 0.50 -2.94 117.35 115.74 2cri s TYR 59 Ca -0.02 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 2cri s TYR 59 Cb 0.12 -1.82 0.13 0.00 -0.11 0.00 0.00 41.96 40.29 2cri s TYR 59 CO 0.76 0.15 0.22 0.00 -1.11 0.00 0.00 175.55 175.57 2cri s VAL 61 N 0.20 5.13 -0.09 0.00 -7.23 -1.26 -1.80 120.40 115.35 2cri s VAL 61 Ca 0.16 1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 61.32 2cri s VAL 61 Cb -0.24 -3.84 0.05 0.00 0.56 0.00 0.00 36.38 32.90 2cri s VAL 61 CO -0.02 0.35 0.17 -0.60 -0.31 0.00 0.00 175.10 174.69 2cri s ARG 62 N 0.43 0.05 0.72 4.82 3.52 0.57 -2.87 118.95 126.19 2cri s ARG 62 Ca 0.27 0.57 -0.12 0.00 -0.13 0.00 0.00 55.73 56.32 2cri s ARG 62 Cb -0.16 -0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.02 2cri s ARG 62 CO 0.12 -0.29 1.10 -1.25 -0.81 0.00 0.00 175.30 174.17 2cri s PRO 63 N 2.21 2.49 0.00 5.12 0.04 -1.26 -0.77 135.00 142.83 2cri s PRO 63 Ca 0.02 1.27 0.23 0.00 0.04 0.00 0.00 61.00 62.56 2cri s PRO 63 Cb -0.12 -1.92 0.16 0.00 0.04 0.00 0.00 34.50 32.66 2cri s PRO 63 CO -0.06 -1.48 1.20 0.27 0.04 0.00 0.00 177.00 176.97 2cri n ASN 64 N -3.04 1.99 -3.57 6.66 0.23 -1.14 -4.74 115.26 111.65 2cri n ASN 64 Ca 0.10 -1.48 -0.09 0.00 -0.53 0.00 0.00 54.58 52.58 2cri n ASN 64 Cb 0.53 0.36 -0.04 0.00 -2.08 0.00 0.00 39.78 38.55 2cri n ASN 64 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2cri s SER 65 N -2.41 -0.31 0.00 0.53 1.04 -1.26 -2.96 113.70 108.32 2cri s SER 65 Ca 0.21 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2cri s SER 65 Cb 0.19 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2cri s SER 65 CO 0.53 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.98 2cri n GLY 66 N 0.36 -1.26 3.31 7.32 0.00 -1.21 -5.06 105.19 108.65 2cri n GLY 66 Ca -0.08 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 2cri n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cri s ILE 67 N -3.00 1.97 -0.38 -0.61 1.01 -1.26 -2.33 121.20 116.60 2cri s ILE 67 Ca 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 60.65 59.30 2cri s ILE 67 Cb 0.00 -1.68 0.07 0.00 0.01 0.00 0.00 42.46 40.86 2cri s ILE 67 CO 0.00 0.33 0.17 -0.63 0.00 0.00 0.00 174.94 174.81 2cri s ILE 68 N -0.78 3.70 0.54 2.92 1.01 -1.20 -4.98 121.20 122.41 2cri s ILE 68 Ca 0.10 -1.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.08 2cri s ILE 68 Cb -0.10 -3.27 -0.15 0.00 0.01 0.00 0.00 42.46 38.96 2cri s ILE 68 CO 0.02 -0.41 -0.15 0.47 0.00 0.00 0.00 174.94 174.86 2cri n ASP 69 N 4.77 -3.76 -4.62 3.58 9.92 -1.26 -3.85 116.55 121.33 2cri n ASP 69 Ca -0.09 0.63 -0.43 0.00 -0.53 0.00 0.00 54.79 54.37 2cri n ASP 69 Cb 0.43 -0.85 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 2cri n ASP 69 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2cri s PRO 70 N -1.10 3.61 0.00 -0.24 0.04 -1.26 -3.04 135.00 133.02 2cri s PRO 70 Ca 0.56 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2cri s PRO 70 Cb -0.48 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 29.98 2cri s PRO 70 CO 0.67 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2cri n GLY 71 N 4.97 0.98 3.17 0.56 0.00 -0.88 -4.88 105.19 109.12 2cri n GLY 71 Ca 0.20 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 2cri n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cri n SER 72 N 0.87 -0.99 -3.93 1.61 7.64 -1.17 -4.99 113.62 112.66 2cri n SER 72 Ca 0.00 -2.98 -0.18 0.00 1.01 0.00 0.00 58.87 56.71 2cri n SER 72 Cb 0.29 2.02 -0.16 0.00 -1.01 0.00 0.00 64.21 65.35 2cri n SER 72 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2cri s ILE 73 N -3.06 0.52 -0.08 0.44 1.01 -1.26 -2.49 121.20 116.27 2cri s ILE 73 Ca 0.34 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.80 2cri s ILE 73 Cb 0.01 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 2cri s ILE 73 CO 0.24 0.19 -0.09 -0.69 0.00 0.00 0.00 174.94 174.59 2cri s VAL 74 N 0.43 3.49 -0.42 2.92 1.01 -0.87 -4.92 120.40 122.04 2cri s VAL 74 Ca -0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 2cri s VAL 74 Cb -0.09 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 33.95 2cri s VAL 74 CO -0.00 0.58 0.25 -0.89 0.00 0.00 0.00 175.10 175.04 2cri s THR 75 N -0.54 3.91 -0.06 3.92 2.01 -1.26 -1.38 115.64 122.23 2cri s THR 75 Ca 0.08 -1.66 -0.13 0.00 0.31 0.00 0.00 61.69 60.29 2cri s THR 75 Cb -0.12 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2cri s THR 75 CO 0.02 -0.60 0.34 -0.69 -0.69 0.00 0.00 174.62 173.00 2cri s VAL 76 N 1.33 5.18 -0.38 3.82 1.01 -1.11 -4.84 120.40 125.40 2cri s VAL 76 Ca 0.04 0.67 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 2cri s VAL 76 Cb -0.24 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.51 2cri s VAL 76 CO -0.00 0.53 0.75 -0.55 0.00 0.00 0.00 175.10 175.83 2cri s SER 77 N -0.65 6.49 -0.28 3.32 0.15 0.05 -1.74 113.70 121.04 2cri s SER 77 Ca 0.21 0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.94 2cri s SER 77 Cb -0.15 -2.38 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2cri s SER 77 CO 0.10 -0.75 0.18 -0.69 1.20 0.00 0.00 173.24 173.27 2cri s VAL 78 N 3.07 5.20 -0.14 4.45 1.01 0.68 -0.32 120.40 134.35 2cri s VAL 78 Ca 0.29 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 2cri s VAL 78 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2cri s VAL 78 CO 0.18 0.25 0.10 -0.04 0.00 0.00 0.00 175.10 175.59 2cri s MET 79 N 1.74 3.57 -0.18 2.72 -1.94 -0.75 -0.81 119.30 123.66 2cri s MET 79 Ca 0.07 -0.24 -0.02 0.00 -1.71 0.00 0.00 55.69 53.79 2cri s MET 79 Cb -0.16 -3.15 0.05 0.00 2.01 0.00 0.00 34.83 33.58 2cri s MET 79 CO 0.10 0.60 0.01 -1.17 -0.01 0.00 0.00 175.02 174.55 2cri s LEU 80 N -0.53 1.24 0.43 -0.03 1.98 -0.48 -1.76 118.68 119.53 2cri s LEU 80 Ca 0.11 -0.72 -0.25 0.00 -2.89 0.00 0.00 54.13 50.38 2cri s LEU 80 Cb -0.12 -0.65 -0.08 0.00 0.66 0.00 0.00 46.19 46.00 2cri s LEU 80 CO 0.02 -0.27 1.38 -1.10 -1.89 0.00 0.00 176.35 174.49 2cri s GLN 81 N 1.81 3.79 0.40 1.98 1.11 -1.15 -2.07 119.66 125.53 2cri s GLN 81 Ca -0.00 2.31 -0.25 0.00 0.01 0.00 0.00 55.36 57.43 2cri s GLN 81 Cb -0.16 -2.69 -0.08 0.00 -1.01 0.00 0.00 33.01 29.06 2cri s GLN 81 CO -0.07 -0.70 1.19 -1.25 0.01 0.00 0.00 175.29 174.47 2cri s PRO 82 N -2.38 4.04 0.36 2.91 0.04 -1.26 -4.93 135.00 133.79 2cri s PRO 82 Ca 0.60 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 63.44 2cri s PRO 82 Cb -0.41 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.47 2cri s PRO 82 CO 0.53 -0.35 0.63 1.97 0.04 0.00 0.00 177.00 179.82 2cri n PHE 83 N 0.08 -1.90 -2.11 0.56 1.16 -1.20 -4.99 117.46 109.07 2cri n PHE 83 Ca 0.04 -2.05 -0.34 0.00 -1.87 0.00 0.00 57.45 53.24 2cri n PHE 83 Cb 0.46 0.73 -0.04 0.00 -1.61 0.00 0.00 39.48 39.02 2cri n PHE 83 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2cri s ASP 84 N -3.06 5.35 -0.15 5.98 2.15 -1.26 -4.90 116.67 120.78 2cri s ASP 84 Ca 0.22 -0.26 -0.29 0.00 0.43 0.00 0.00 52.55 52.64 2cri s ASP 84 Cb -0.03 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.00 2cri s ASP 84 CO 0.16 -2.44 1.67 -0.47 -0.17 0.00 0.00 175.17 173.91 2cri s TYR 85 N 9.02 1.99 -0.44 -5.34 5.04 -1.26 -4.96 117.35 121.40 2cri s TYR 85 Ca 0.65 0.40 -0.21 0.00 -2.44 0.00 0.00 57.07 55.47 2cri s TYR 85 Cb -0.09 -3.95 0.03 0.00 0.35 0.00 0.00 41.96 38.29 2cri s TYR 85 CO 0.09 -3.38 0.66 -0.51 -1.34 0.00 0.00 175.55 171.07 2cri s ASP 86 N 4.12 6.33 0.28 4.32 1.01 -1.26 -4.93 116.67 126.55 2cri s ASP 86 Ca 0.74 -0.34 0.07 0.00 0.71 0.00 0.00 52.55 53.72 2cri s ASP 86 Cb -0.29 -2.33 0.42 0.00 1.01 0.00 0.00 42.92 41.73 2cri s ASP 86 CO 0.30 -0.80 1.67 1.55 0.21 0.00 0.00 175.17 178.10 2cri h PRO 87 N 8.90 0.21 -0.19 8.23 0.13 -1.97 -3.21 132.00 144.09 2cri h PRO 87 Ca -0.25 -0.11 0.04 0.00 -0.87 0.00 0.00 66.00 64.81 2cri h PRO 87 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 2cri h PRO 87 CO 0.90 0.64 -0.08 -0.97 -0.23 0.00 0.00 178.00 178.26 2cri h ASN 88 N 0.17 -0.27 -3.25 1.44 -1.24 -2.03 -3.40 115.58 107.00 2cri h ASN 88 Ca 0.01 0.07 -0.58 0.00 0.71 0.00 0.00 56.30 56.51 2cri h ASN 88 Cb 0.89 0.16 -0.08 0.00 0.73 0.00 0.00 38.32 40.02 2cri h ASN 88 CO 0.07 -0.11 -0.18 -1.61 -1.29 0.00 0.00 177.43 174.32 2cri s GLU 89 N -6.19 4.23 0.06 6.67 0.41 -1.21 -4.99 118.70 117.68 2cri s GLU 89 Ca -0.14 0.40 -0.24 0.00 -0.41 0.00 0.00 54.97 54.58 2cri s GLU 89 Cb 0.11 -3.38 -0.16 0.00 -1.78 0.00 0.00 34.13 28.91 2cri s GLU 89 CO 0.68 0.30 1.63 1.57 -0.49 0.00 0.00 175.26 178.95 2cri h LYS 90 N 6.20 -0.02 -1.74 1.61 2.10 -1.82 -3.45 116.57 119.45 2cri h LYS 90 Ca -0.44 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.24 2cri h LYS 90 Cb 1.19 0.01 -0.22 0.00 -0.90 0.00 0.00 32.23 32.30 2cri h LYS 90 CO 0.72 0.09 0.38 -1.54 -2.00 0.00 0.00 179.45 177.10 2cri s SER 91 N -5.28 -0.51 0.00 7.07 1.04 -1.26 -4.70 113.70 110.05 2cri s SER 91 Ca -0.14 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2cri s SER 91 Cb 0.05 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2cri s SER 91 CO 0.66 -0.36 0.00 1.17 0.98 0.00 0.00 173.24 175.69 2cri n LYS 92 N 1.36 0.00 -1.24 4.02 3.00 -1.26 -5.07 118.16 118.96 2cri n LYS 92 Ca -0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.87 2cri n LYS 92 Cb 0.57 -0.81 0.24 0.00 0.00 0.00 0.00 35.03 35.03 2cri n LYS 92 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2cri s HIS 93 N -1.98 0.37 0.06 5.64 3.76 -1.26 -5.10 115.29 116.79 2cri s HIS 93 Ca 0.00 0.36 -0.12 0.00 -0.15 0.00 0.00 55.06 55.15 2cri s HIS 93 Cb 0.00 -3.64 0.01 0.00 1.11 0.00 0.00 32.58 30.06 2cri s HIS 93 CO 0.00 -3.84 0.26 0.21 -0.85 0.00 0.00 174.74 170.53 2cri s LYS 94 N -5.59 0.82 -0.16 1.40 2.20 -1.26 -4.65 119.74 112.49 2cri s LYS 94 Ca 0.73 -0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2cri s LYS 94 Cb -0.07 0.35 0.05 0.00 -1.51 0.00 0.00 37.83 36.65 2cri s LYS 94 CO 0.55 -0.27 -0.02 0.12 -0.36 0.00 0.00 175.35 175.38 2cri s PHE 95 N -3.04 1.37 0.14 4.03 5.36 0.11 -2.33 117.98 123.62 2cri s PHE 95 Ca -0.01 -0.90 0.09 0.00 -0.96 0.00 0.00 56.93 55.14 2cri s PHE 95 Cb 0.01 -1.16 -0.04 0.00 -0.34 0.00 0.00 43.02 41.49 2cri s PHE 95 CO -0.06 -0.57 -0.13 -1.64 -1.46 0.00 0.00 175.22 171.35 2cri s MET 96 N 1.74 1.97 -0.03 10.12 -1.94 -1.05 0.40 119.30 130.51 2cri s MET 96 Ca 0.01 -1.19 0.01 0.00 -1.71 0.00 0.00 55.69 52.80 2cri s MET 96 Cb -0.15 -2.17 0.02 0.00 2.01 0.00 0.00 34.83 34.54 2cri s MET 96 CO -0.07 0.47 -0.01 0.08 -0.01 0.00 0.00 175.02 175.47 2cri s VAL 97 N -1.41 0.28 -0.02 -6.03 1.01 -0.87 -2.96 120.40 110.40 2cri s VAL 97 Ca 0.22 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 2cri s VAL 97 Cb -0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2cri s VAL 97 CO 0.13 0.16 0.19 -1.58 0.00 0.00 0.00 175.10 174.00 2cri s GLN 98 N 0.94 3.45 -0.04 2.72 2.00 -0.90 -0.63 119.66 127.21 2cri s GLN 98 Ca -0.10 -0.28 -0.04 0.00 -2.00 0.00 0.00 55.36 52.93 2cri s GLN 98 Cb -0.14 -3.10 0.01 0.00 0.80 0.00 0.00 33.01 30.58 2cri s GLN 98 CO -0.01 0.68 0.12 0.95 -0.50 0.00 0.00 175.29 176.53 2cri s THR 99 N -1.30 0.01 -0.21 -0.34 -4.23 0.77 -1.63 115.64 108.71 2cri s THR 99 Ca 0.26 -0.11 -0.26 0.00 -1.18 0.00 0.00 61.69 60.40 2cri s THR 99 Cb -0.13 -0.21 0.07 0.00 1.34 0.00 0.00 72.50 73.58 2cri s THR 99 CO 0.17 -0.06 0.70 -0.51 -0.54 0.00 0.00 174.62 174.38 2cri s ILE 100 N -0.15 0.00 0.59 2.99 2.07 -0.28 -2.16 121.20 124.24 2cri s ILE 100 Ca -0.02 -0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.01 2cri s ILE 100 Cb -0.02 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.55 2cri s ILE 100 CO 0.00 -0.00 1.32 -0.36 -1.91 0.00 0.00 174.94 174.00 2cri s PHE 101 N -0.04 2.22 -0.04 3.50 0.40 -1.26 0.04 117.98 122.79 2cri s PHE 101 Ca -0.03 1.42 -0.13 0.00 -0.60 0.00 0.00 56.93 57.60 2cri s PHE 101 Cb -0.04 -3.74 -0.05 0.00 0.51 0.00 0.00 43.02 39.70 2cri s PHE 101 CO 0.03 -2.86 0.33 0.00 0.70 0.00 0.00 175.22 173.42 2cri s ALA 102 N -1.35 3.74 0.95 5.36 0.00 -1.07 -4.69 121.76 124.70 2cri s ALA 102 Ca 0.76 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 2cri s ALA 102 Cb -0.39 -2.28 0.16 0.00 0.00 0.00 0.00 23.12 20.61 2cri s ALA 102 CO 0.44 0.49 1.09 -1.25 0.00 0.00 0.00 175.76 176.53 2cri s PRO 103 N -0.96 0.81 0.56 0.00 0.04 -1.26 -4.89 135.00 129.30 2cri s PRO 103 Ca 0.21 0.67 0.34 0.00 0.04 0.00 0.00 61.00 62.26 2cri s PRO 103 Cb -0.15 -1.77 1.42 0.00 0.04 0.00 0.00 34.50 34.04 2cri s PRO 103 CO 0.10 -2.51 2.01 -1.00 0.04 0.00 0.00 177.00 175.64 2cri h PRO 104 N -1.74 0.00 -0.21 0.56 0.13 -2.03 -2.72 132.00 126.01 2cri h PRO 104 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2cri h PRO 104 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2cri h PRO 104 CO 0.56 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.62 2cri n ASN 105 N -3.09 3.03 -3.91 1.44 2.85 -1.26 -5.03 115.26 109.29 2cri n ASN 105 Ca 0.00 -2.54 -0.55 0.00 -0.11 0.00 0.00 54.58 51.38 2cri n ASN 105 Cb 0.29 -0.34 -0.10 0.00 1.24 0.00 0.00 39.78 40.87 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cri n ILE 106 N -0.33 0.00 0.00 -1.44 0.13 -1.03 -4.77 119.36 111.92 2cri n ILE 106 Ca 0.14 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.79 2cri n ILE 106 Cb 0.60 -0.44 0.00 0.00 -0.84 0.00 0.00 39.64 38.96 2cri n ILE 106 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 2cri n SER 107 N 5.78 0.00 -4.53 9.51 7.64 -1.26 -5.01 113.62 125.74 2cri n SER 107 Ca 0.43 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.88 2cri n SER 107 Cb -0.04 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 2cri n SER 107 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cri s ASP 108 N -2.97 6.38 0.20 6.43 1.01 -1.26 -4.92 116.67 121.54 2cri s ASP 108 Ca 0.00 -0.23 -0.11 0.00 0.71 0.00 0.00 52.55 52.92 2cri s ASP 108 Cb 0.00 -2.41 0.19 0.00 1.01 0.00 0.00 42.92 41.71 2cri s ASP 108 CO 0.00 -1.08 1.82 0.24 0.21 0.00 0.00 175.17 176.36 2cri h MET 109 N 9.15 0.67 0.41 8.23 2.86 -1.99 -0.48 114.93 133.77 2cri h MET 109 Ca -0.25 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 2cri h MET 109 Cb 1.08 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 2cri h MET 109 CO 1.03 0.45 -0.29 1.05 1.06 0.00 0.00 176.91 180.20 2cri h GLU 110 N 0.69 -0.66 -0.95 1.72 4.11 -2.00 -1.78 114.58 115.71 2cri h GLU 110 Ca 0.27 0.05 0.08 0.00 0.07 0.00 0.00 59.36 59.82 2cri h GLU 110 Cb 0.11 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 2cri h GLU 110 CO -0.15 -0.44 0.61 0.00 0.07 0.00 0.00 179.01 179.11 2cri h ALA 111 N -0.17 1.49 0.50 1.06 0.00 -1.93 -2.36 119.26 117.85 2cri h ALA 111 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2cri h ALA 111 Cb 0.58 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2cri h ALA 111 CO 0.01 0.35 -0.36 0.28 0.00 0.00 0.00 179.25 179.52 2cri h VAL 112 N 1.06 0.26 -0.77 0.00 2.07 -0.69 -0.12 116.25 118.06 2cri h VAL 112 Ca 0.42 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.07 2cri h VAL 112 Cb 0.25 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 2cri h VAL 112 CO -0.17 0.00 0.34 -0.50 0.02 0.00 0.00 177.57 177.26 2cri h TRP 113 N -0.84 0.60 -0.22 1.57 4.06 -1.03 0.62 115.95 120.70 2cri h TRP 113 Ca -0.05 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 2cri h TRP 113 Cb 0.71 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 2cri h TRP 113 CO -0.14 0.12 0.13 0.87 -3.56 0.00 0.00 178.44 175.86 2cri h LYS 114 N 0.51 0.30 -0.13 0.49 6.56 -1.11 -2.41 116.57 120.79 2cri h LYS 114 Ca 0.41 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.94 2cri h LYS 114 Cb 0.58 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.17 2cri h LYS 114 CO -0.37 0.26 -0.07 0.93 -2.06 0.00 0.00 179.45 178.14 2cri h GLU 115 N 0.26 0.19 -6.73 3.15 5.08 0.06 -3.43 114.58 113.16 2cri h GLU 115 Ca 0.08 -0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.88 2cri h GLU 115 Cb 0.04 -0.03 0.07 0.00 0.50 0.00 0.00 28.75 29.33 2cri h GLU 115 CO -0.01 0.27 0.95 0.00 -1.00 0.00 0.00 179.01 179.22 2cri s ALA 116 N -4.86 3.84 0.24 3.43 0.00 0.11 -4.99 121.76 119.52 2cri s ALA 116 Ca -0.05 1.58 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 2cri s ALA 116 Cb 0.16 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2cri s ALA 116 CO 0.71 -0.95 0.50 0.15 0.00 0.00 0.00 175.76 176.18 2cri s LYS 117 N 0.34 3.64 0.00 0.00 -0.14 -1.26 -4.97 119.74 117.35 2cri s LYS 117 Ca 0.69 -0.01 0.15 0.00 -1.36 0.00 0.00 55.97 55.44 2cri s LYS 117 Cb -0.49 -2.70 0.72 0.00 -1.68 0.00 0.00 37.83 33.68 2cri s LYS 117 CO 0.40 0.30 1.42 -0.35 -0.76 0.00 0.00 175.35 176.35 2cri n PRO 118 N -0.60 0.17 0.07 -1.68 -0.04 -1.26 -0.98 135.00 130.67 2cri n PRO 118 Ca -0.02 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2cri n PRO 118 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2cri n PRO 118 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2cri h ASP 119 N 0.00 0.00 0.00 3.54 3.04 -2.02 -3.37 116.42 117.61 2cri h ASP 119 Ca 0.00 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.69 2cri h ASP 119 Cb 0.16 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.43 2cri h ASP 119 CO 0.00 0.50 -1.73 -0.62 -2.04 0.00 0.00 179.24 175.35 2cri n GLU 120 N -2.96 1.11 -2.13 4.15 -0.58 -0.94 -4.97 120.64 114.31 2cri n GLU 120 Ca -0.06 -0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.19 2cri n GLU 120 Cb 0.79 -1.32 -0.03 0.00 -0.57 0.00 0.00 31.44 30.30 2cri n GLU 120 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2cri s LEU 121 N -4.39 4.36 -0.07 -4.62 1.43 -0.16 -4.96 118.68 110.27 2cri s LEU 121 Ca -0.06 2.33 -0.04 0.00 -1.03 0.00 0.00 54.13 55.34 2cri s LEU 121 Cb 0.06 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2cri s LEU 121 CO 0.54 -0.70 0.09 -0.04 0.23 0.00 0.00 176.35 176.48 2cri s MET 122 N 1.45 3.23 0.25 1.70 -1.94 -0.92 -4.90 119.30 118.18 2cri s MET 122 Ca 0.66 -0.31 0.07 0.00 -1.71 0.00 0.00 55.69 54.39 2cri s MET 122 Cb -0.37 -2.99 -0.05 0.00 2.01 0.00 0.00 34.83 33.42 2cri s MET 122 CO 0.30 0.72 -0.08 0.16 -0.01 0.00 0.00 175.02 176.11 2cri s ASP 123 N -1.27 2.60 -0.04 3.03 -4.77 -1.26 -0.17 116.67 114.79 2cri s ASP 123 Ca 0.18 -1.15 0.01 0.00 -3.30 0.00 0.00 52.55 48.29 2cri s ASP 123 Cb -0.12 -0.14 0.02 0.00 -1.09 0.00 0.00 42.92 41.60 2cri s ASP 123 CO 0.08 -0.31 -0.03 -0.55 0.70 0.00 0.00 175.17 175.05 2cri s SER 124 N -3.39 0.76 -0.28 2.11 0.15 0.20 -4.79 113.70 108.45 2cri s SER 124 Ca 0.27 -0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.60 2cri s SER 124 Cb 0.03 -0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 2cri s SER 124 CO 0.10 -0.06 0.72 -0.75 1.20 0.00 0.00 173.24 174.45 2cri s LYS 125 N 0.91 4.03 -0.07 5.44 2.20 -1.26 -2.05 119.74 128.94 2cri s LYS 125 Ca -0.11 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 2cri s LYS 125 Cb -0.14 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.50 2cri s LYS 125 CO -0.00 -0.56 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.13 2cri s LEU 126 N 2.75 1.66 -0.24 5.43 0.20 0.16 -5.00 118.68 123.64 2cri s LEU 126 Ca 0.30 -0.32 -0.13 0.00 0.69 0.00 0.00 54.13 54.67 2cri s LEU 126 Cb -0.15 -0.87 -0.05 0.00 -0.43 0.00 0.00 46.19 44.70 2cri s LEU 126 CO 0.10 0.04 0.26 -0.60 -0.29 0.00 0.00 176.35 175.86 2cri s ARG 127 N 0.68 4.07 -0.29 1.98 3.52 -1.26 0.10 118.95 127.74 2cri s ARG 127 Ca -0.14 -0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.05 2cri s ARG 127 Cb -0.16 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.67 2cri s ARG 127 CO 0.04 -0.06 1.06 0.00 -0.81 0.00 0.00 175.30 175.53 2cri s VAL 129 N 3.51 5.29 -0.52 0.00 1.01 0.59 -4.89 120.40 125.40 2cri s VAL 129 Ca 0.45 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.32 2cri s VAL 129 Cb -0.13 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.70 2cri s VAL 129 CO 0.13 0.17 0.70 -0.36 0.00 0.00 0.00 175.10 175.73 2cri s PHE 130 N 1.78 2.99 0.25 5.22 0.40 -1.26 -0.74 117.98 126.61 2cri s PHE 130 Ca 0.07 -0.41 0.10 0.00 -0.60 0.00 0.00 56.93 56.10 2cri s PHE 130 Cb -0.16 -3.66 -0.04 0.00 0.51 0.00 0.00 43.02 39.66 2cri s PHE 130 CO 0.11 -1.11 -0.09 -1.21 0.70 0.00 0.00 175.22 173.63 2cri s GLU 131 N 2.95 2.04 0.16 0.44 0.41 -0.47 -4.95 118.70 119.27 2cri s GLU 131 Ca 0.19 -1.49 0.08 0.00 -0.41 0.00 0.00 54.97 53.34 2cri s GLU 131 Cb -0.18 -2.04 -0.04 0.00 -1.78 0.00 0.00 34.13 30.10 2cri s GLU 131 CO 0.14 0.37 -0.09 -1.64 -0.49 0.00 0.00 175.26 173.55 2cri s MET 132 N -3.41 2.09 -0.03 1.61 -1.94 -1.26 -1.20 119.30 115.16 2cri s MET 132 Ca 0.29 -1.19 -0.30 0.00 -1.71 0.00 0.00 55.69 52.78 2cri s MET 132 Cb -0.07 -2.21 -0.05 0.00 2.01 0.00 0.00 34.83 34.51 2cri s MET 132 CO 0.17 0.46 1.47 -1.25 -0.01 0.00 0.00 175.02 175.86 2cri s PRO 133 N -2.65 4.24 0.49 2.03 0.04 -1.26 -4.75 135.00 133.15 2cri s PRO 133 Ca 0.24 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.39 2cri s PRO 133 Cb -0.09 -3.70 0.04 0.00 0.04 0.00 0.00 34.50 30.79 2cri s PRO 133 CO 0.15 -0.68 0.67 -0.80 0.04 0.00 0.00 177.00 176.39 2cri s ASN 134 N 2.31 5.40 -0.12 6.66 0.01 -1.26 -5.03 114.94 122.90 2cri s ASN 134 Ca 0.66 -0.60 -0.06 0.00 -0.71 0.00 0.00 52.86 52.16 2cri s ASN 134 Cb -0.32 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.06 2cri s ASN 134 CO 0.26 -1.03 0.09 -0.70 -1.51 0.00 0.00 177.10 174.21 2cri s GLU 135 N -4.50 3.42 -0.30 -0.60 2.12 -1.26 -5.03 118.70 112.55 2cri s GLU 135 Ca 0.58 -0.25 -0.39 0.00 0.36 0.00 0.00 54.97 55.28 2cri s GLU 135 Cb -0.08 -3.09 -0.14 0.00 0.26 0.00 0.00 34.13 31.07 2cri s GLU 135 CO 0.36 0.66 1.90 -1.71 -0.54 0.00 0.00 175.26 175.93 2cri n ASN 136 N 2.33 2.29 -0.30 -1.70 5.15 -1.26 -4.82 115.26 116.95 2cri n ASN 136 Ca -0.19 0.87 0.08 0.00 -0.60 0.00 0.00 54.58 54.74 2cri n ASN 136 Cb 0.54 -1.17 0.13 0.00 -0.53 0.00 0.00 39.78 38.75 2cri n ASN 136 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2cri n ASP 137 N 6.78 1.87 -4.89 1.20 8.00 -1.26 -5.04 116.55 123.21 2cri n ASP 137 Ca 0.32 -3.09 -0.34 0.00 0.71 0.00 0.00 54.79 52.38 2cri n ASP 137 Cb 0.15 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 40.78 2cri n ASP 137 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2cri s LYS 138 N -2.49 3.51 -0.16 -1.24 -2.85 -1.26 -4.97 119.74 110.27 2cri s LYS 138 Ca 0.30 -0.17 -0.13 0.00 -1.00 0.00 0.00 55.97 54.96 2cri s LYS 138 Cb 0.27 -3.10 -0.05 0.00 -2.06 0.00 0.00 37.83 32.89 2cri s LYS 138 CO -0.00 0.67 -0.23 -0.11 0.10 0.00 0.00 175.35 175.78 2cri n LEU 139 N 1.16 1.86 -3.46 2.77 0.00 -1.26 -4.98 117.00 113.09 2cri n LEU 139 Ca -0.12 0.51 -0.32 0.00 0.00 0.00 0.00 56.01 56.07 2cri n LEU 139 Cb 0.53 -0.82 0.01 0.00 0.00 0.00 0.00 43.42 43.13 2cri n LEU 139 CO 0.41 -0.34 -0.49 -3.20 0.00 0.00 0.00 177.39 173.77 2cri n ASN 140 N -4.54 -2.85 -0.01 1.96 2.85 -1.26 -4.94 115.26 106.46 2cri n ASN 140 Ca -0.12 0.56 -0.01 0.00 -0.11 0.00 0.00 54.58 54.91 2cri n ASN 140 Cb 0.39 -0.70 -0.00 0.00 1.24 0.00 0.00 39.78 40.72 2cri n ASN 140 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2cri h ASP 141 N 0.05 0.00 -3.55 1.20 3.58 -1.99 -3.49 116.42 112.22 2cri h ASP 141 Ca -0.33 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 56.88 2cri h ASP 141 Cb 1.18 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.92 2cri h ASP 141 CO 0.35 0.10 -0.63 -0.55 -2.88 0.00 0.00 179.24 175.63 2cri s SER 142 N -3.72 -0.07 0.00 2.28 0.15 -1.26 -5.10 113.70 105.98 2cri s SER 142 Ca -0.02 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2cri s SER 142 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2cri s SER 142 CO 0.02 -0.11 0.42 0.61 1.20 0.00 0.00 173.24 175.38 2cri n GLY 143 N 3.86 -1.36 0.11 9.45 0.00 -1.26 -4.42 105.19 111.58 2cri n GLY 143 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 2cri n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cri h PRO 144 N 0.00 0.27 -6.33 1.61 0.13 -2.06 -3.43 132.00 122.19 2cri h PRO 144 Ca 0.00 -0.14 -0.58 0.00 -0.87 0.00 0.00 66.00 64.41 2cri h PRO 144 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.16 2cri h PRO 144 CO 0.00 0.68 1.14 0.45 -0.23 0.00 0.00 178.00 180.04 2cri n SER 145 N -4.63 3.73 -4.85 1.44 2.88 -1.26 -4.97 113.62 105.96 2cri n SER 145 Ca -0.07 0.95 -0.23 0.00 -1.33 0.00 0.00 58.87 58.19 2cri n SER 145 Cb 0.33 -1.44 -0.04 0.00 -0.75 0.00 0.00 64.21 62.31 2cri n SER 145 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cri s SER 146 N 4.02 5.70 0.00 -3.46 0.15 -1.26 -4.62 113.70 114.22 2cri s SER 146 Ca 0.90 -0.14 0.27 0.00 0.70 0.00 0.00 55.95 57.68 2cri s SER 146 Cb -0.59 -1.52 0.75 0.00 -1.71 0.00 0.00 66.02 62.96 2cri s SER 146 CO 0.47 -0.00 1.58 0.61 1.20 0.00 0.00 173.24 177.09