#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 0.12 -0.16 1.61 2.88 -1.26 -4.88 113.62 111.94 2cri n SER 2 Ca 0.00 0.20 -0.04 0.00 -1.33 0.00 0.00 58.87 57.71 2cri n SER 2 Cb 0.00 0.09 0.03 0.00 -0.75 0.00 0.00 64.21 63.58 2cri n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2cri h SER 3 N 0.00 -0.65 -3.33 -3.46 0.87 -2.12 -3.39 113.55 101.46 2cri h SER 3 Ca 0.00 0.17 -0.57 0.00 -1.23 0.00 0.00 61.79 60.16 2cri h SER 3 Cb 0.16 0.38 -0.06 0.00 -0.44 0.00 0.00 62.40 62.44 2cri h SER 3 CO 0.00 -0.22 0.00 -0.83 -0.53 0.00 0.00 176.83 175.25 2cri s GLY 4 N -3.20 2.59 0.06 5.77 0.00 -1.26 -5.07 107.32 106.21 2cri s GLY 4 Ca -0.14 0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 2cri s GLY 4 CO 0.71 0.88 0.04 -0.45 0.00 0.00 0.00 173.10 174.28 2cri s SER 5 N 0.18 0.36 -0.27 1.64 0.15 -1.26 -4.46 113.70 110.03 2cri s SER 5 Ca 0.32 -0.85 -0.26 0.00 0.70 0.00 0.00 55.95 55.87 2cri s SER 5 Cb -0.18 0.24 0.14 0.00 -1.71 0.00 0.00 66.02 64.51 2cri s SER 5 CO 0.17 -0.61 1.13 -0.94 1.20 0.00 0.00 173.24 174.18 2cri s SER 6 N -2.78 -0.33 0.00 5.45 1.04 -1.26 -5.17 113.70 110.65 2cri s SER 6 Ca 0.05 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2cri s SER 6 Cb 0.06 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2cri s SER 6 CO -0.09 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2cri n GLY 7 N 1.76 0.86 4.38 7.32 0.00 -1.26 -4.84 105.19 113.41 2cri n GLY 7 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 2cri n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cri n MET 8 N 0.00 -1.60 -3.79 1.61 0.00 -1.26 -4.91 117.12 107.16 2cri n MET 8 Ca 0.00 0.21 -0.26 0.00 0.00 0.00 0.00 57.70 57.65 2cri n MET 8 Cb 0.00 -4.60 -0.17 0.00 0.00 0.00 0.00 33.22 28.45 2cri n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cri s ALA 9 N -3.52 1.05 -1.77 3.04 0.00 -1.26 -4.84 121.76 114.45 2cri s ALA 9 Ca 0.60 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 2cri s ALA 9 Cb -0.34 -1.03 0.18 0.00 0.00 0.00 0.00 23.12 21.94 2cri s ALA 9 CO 0.99 -0.83 0.46 1.63 0.00 0.00 0.00 175.76 178.01 2cri n LYS 10 N 5.03 -0.76 -1.76 0.00 4.01 -1.26 -4.80 118.16 118.62 2cri n LYS 10 Ca -0.09 0.13 -0.31 0.00 -0.51 0.00 0.00 58.31 57.53 2cri n LYS 10 Cb 0.48 -4.36 0.05 0.00 -0.51 0.00 0.00 35.03 30.69 2cri n LYS 10 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2cri n HIS 11 N -4.08 3.04 1.88 2.13 8.25 -1.26 -4.66 115.22 120.52 2cri n HIS 11 Ca 0.02 -2.66 0.01 0.00 -0.26 0.00 0.00 57.72 54.83 2cri n HIS 11 Cb 0.49 -0.88 0.04 0.00 1.12 0.00 0.00 29.99 30.76 2cri n HIS 11 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2cri n GLU 12 N -0.76 1.09 -2.41 -0.41 -0.58 -1.26 -4.85 120.64 111.45 2cri n GLU 12 Ca 0.53 -0.13 -0.31 0.00 -0.42 0.00 0.00 57.16 56.82 2cri n GLU 12 Cb 0.74 -1.04 -0.02 0.00 -0.57 0.00 0.00 31.44 30.54 2cri n GLU 12 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2cri s GLN 13 N -1.95 3.83 -0.07 3.49 0.00 -1.26 -5.01 119.66 118.68 2cri s GLN 13 Ca 0.04 0.78 -0.16 0.00 -0.00 0.00 0.00 55.36 56.01 2cri s GLN 13 Cb 0.02 -2.19 -0.29 0.00 0.00 0.00 0.00 33.01 30.54 2cri s GLN 13 CO 0.03 -0.27 0.67 0.97 0.00 0.00 0.00 175.29 176.68 2cri h ILE 14 N 0.69 1.12 -3.31 3.63 6.09 -1.93 -3.45 117.51 120.36 2cri h ILE 14 Ca -0.46 -2.47 -0.57 0.00 -1.37 0.00 0.00 64.86 59.99 2cri h ILE 14 Cb 1.19 2.84 -0.06 0.00 0.47 0.00 0.00 36.82 41.26 2cri h ILE 14 CO 0.62 0.74 0.38 -0.76 -3.07 0.00 0.00 178.15 176.05 2cri s LEU 15 N -7.58 4.22 -0.64 2.19 1.43 -1.26 -4.32 118.68 112.72 2cri s LEU 15 Ca -0.17 1.26 -0.24 0.00 -1.03 0.00 0.00 54.13 53.95 2cri s LEU 15 Cb 0.04 -3.28 0.06 0.00 0.03 0.00 0.00 46.19 43.03 2cri s LEU 15 CO 0.81 -0.36 1.00 -0.69 0.23 0.00 0.00 176.35 177.34 2cri s VAL 16 N 1.87 4.26 0.93 -1.59 1.01 -0.69 -4.94 120.40 121.26 2cri s VAL 16 Ca 0.41 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 2cri s VAL 16 Cb -0.17 -4.67 0.15 0.00 0.00 0.00 0.00 36.38 31.69 2cri s VAL 16 CO 0.15 -1.40 1.09 -0.76 0.00 0.00 0.00 175.10 174.17 2cri s LEU 17 N 4.26 2.09 -0.23 3.92 1.02 -1.26 -0.82 118.68 127.65 2cri s LEU 17 Ca 0.26 1.48 -0.06 0.00 0.02 0.00 0.00 54.13 55.83 2cri s LEU 17 Cb -0.14 -3.83 0.11 0.00 0.02 0.00 0.00 46.19 42.35 2cri s LEU 17 CO 0.14 -2.85 0.46 -1.81 0.02 0.00 0.00 176.35 172.32 2cri s ASP 18 N -3.32 -0.40 0.24 2.29 1.01 0.70 -2.36 116.67 114.82 2cri s ASP 18 Ca 0.64 0.96 -0.30 0.00 0.71 0.00 0.00 52.55 54.57 2cri s ASP 18 Cb -0.19 1.53 -0.09 0.00 1.01 0.00 0.00 42.92 45.18 2cri s ASP 18 CO 0.58 -0.24 1.27 -2.16 0.21 0.00 0.00 175.17 174.83 2cri s PRO 19 N 2.67 4.42 0.29 8.23 0.04 -1.26 -0.43 135.00 148.96 2cri s PRO 19 Ca 0.01 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.18 2cri s PRO 19 Cb -0.13 -3.16 0.43 0.00 0.04 0.00 0.00 34.50 31.68 2cri s PRO 19 CO -0.15 -0.16 1.68 -1.00 0.04 0.00 0.00 177.00 177.41 2cri h PRO 20 N 4.63 0.19 0.00 0.56 0.13 -1.84 -3.37 132.00 132.30 2cri h PRO 20 Ca -0.46 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.73 0.62 0.00 -1.13 -0.23 0.00 0.00 178.00 177.99 2cri n SER 21 N -3.98 0.00 -3.90 1.44 3.41 -1.26 -4.92 113.62 104.41 2cri n SER 21 Ca -0.02 0.39 -0.10 0.00 -0.26 0.00 0.00 58.87 58.87 2cri n SER 21 Cb 0.51 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.14 2cri n SER 21 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2cri s ASP 22 N -1.95 0.09 -0.44 4.04 -4.77 -1.26 -4.09 116.67 108.30 2cri s ASP 22 Ca 0.00 -0.34 -0.16 0.00 -3.30 0.00 0.00 52.55 48.76 2cri s ASP 22 Cb 0.00 0.21 0.04 0.00 -1.09 0.00 0.00 42.92 42.07 2cri s ASP 22 CO 0.00 -0.41 0.37 -0.22 0.70 0.00 0.00 175.17 175.60 2cri s LEU 23 N -1.64 5.21 0.14 2.11 2.96 -0.89 -4.57 118.68 122.01 2cri s LEU 23 Ca -0.12 -0.99 -0.21 0.00 -0.22 0.00 0.00 54.13 52.60 2cri s LEU 23 Cb -0.06 -2.22 -0.07 0.00 0.50 0.00 0.00 46.19 44.34 2cri s LEU 23 CO -0.01 -0.55 0.67 -0.54 -1.32 0.00 0.00 176.35 174.60 2cri s LYS 24 N 1.79 4.31 -0.20 1.98 1.02 -1.26 -1.49 119.74 125.90 2cri s LYS 24 Ca 0.06 0.88 -0.03 0.00 0.02 0.00 0.00 55.97 56.90 2cri s LYS 24 Cb -0.20 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 2cri s LYS 24 CO 0.10 0.55 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.97 2cri s PHE 25 N -1.25 2.95 -0.40 3.18 0.40 -0.12 -4.94 117.98 117.80 2cri s PHE 25 Ca 0.35 -0.78 -0.25 0.00 -0.60 0.00 0.00 56.93 55.65 2cri s PHE 25 Cb -0.20 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.30 2cri s PHE 25 CO 0.22 -0.42 0.88 0.21 0.70 0.00 0.00 175.22 176.81 2cri s LYS 26 N 1.18 3.69 0.00 0.44 2.47 -1.26 -2.14 119.74 124.12 2cri s LYS 26 Ca 0.02 0.33 0.00 0.00 -1.56 0.00 0.00 55.97 54.77 2cri s LYS 26 Cb -0.14 -3.85 0.00 0.00 -1.46 0.00 0.00 37.83 32.37 2cri s LYS 26 CO -0.01 -1.03 0.00 0.41 0.16 0.00 0.00 175.35 174.88 2cri n GLY 27 N 4.64 -3.49 3.77 5.54 0.00 -1.12 -4.85 105.19 109.68 2cri n GLY 27 Ca 0.06 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.38 2.66 -0.21 1.61 0.04 -1.26 -4.74 135.00 132.72 2cri s PRO 28 Ca 0.00 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.40 2cri s PRO 28 Cb 0.00 -1.94 0.34 0.00 0.04 0.00 0.00 34.50 32.95 2cri s PRO 28 CO 0.00 -1.35 1.43 1.19 0.04 0.00 0.00 177.00 178.30 2cri n PHE 29 N -2.70 1.49 -0.08 0.56 3.72 -1.26 -3.99 117.46 115.20 2cri n PHE 29 Ca 0.10 -1.09 -0.16 0.00 -0.05 0.00 0.00 57.45 56.25 2cri n PHE 29 Cb 0.52 -0.57 -0.14 0.00 -0.94 0.00 0.00 39.48 38.36 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 -0.26 1.56 -4.45 4.37 -2.24 -1.26 -2.74 114.28 109.26 2cri n THR 30 Ca 0.28 -0.68 -0.29 0.00 -2.27 0.00 0.00 64.05 61.09 2cri n THR 30 Cb 1.05 -1.24 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 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 -6.37 4.22 -0.04 3.42 2.15 -1.26 -4.70 116.67 114.09 2cri s ASP 31 Ca -0.23 -1.40 -0.34 0.00 0.43 0.00 0.00 52.55 51.02 2cri s ASP 31 Cb 0.08 0.07 -0.12 0.00 -0.30 0.00 0.00 42.92 42.65 2cri s ASP 31 CO 0.72 -0.73 1.85 0.52 -0.17 0.00 0.00 175.17 177.36 2cri n VAL 32 N -1.27 0.52 -3.73 1.11 0.31 -1.26 -4.15 118.33 109.86 2cri n VAL 32 Ca -0.09 -0.09 -0.32 0.00 -0.01 0.00 0.00 64.34 63.83 2cri n VAL 32 Cb 0.66 -1.89 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 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 3.67 5.22 -0.25 2.52 1.01 -1.12 -4.99 120.40 126.47 2cri s VAL 33 Ca 0.90 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.89 2cri s VAL 33 Cb -0.66 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.16 2cri s VAL 33 CO 0.48 0.11 -0.09 -0.89 0.00 0.00 0.00 175.10 174.71 2cri s THR 34 N -1.58 1.89 -0.18 3.92 2.01 -1.26 -2.20 115.64 118.23 2cri s THR 34 Ca 0.38 -1.45 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 2cri s THR 34 Cb -0.12 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.33 2cri s THR 34 CO 0.24 -0.06 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.09 2cri s THR 35 N 1.23 2.67 -0.24 -0.82 2.01 -0.46 -4.94 115.64 115.10 2cri s THR 35 Ca -0.08 -0.74 -0.18 0.00 0.31 0.00 0.00 61.69 61.00 2cri s THR 35 Cb -0.19 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2cri s THR 35 CO -0.06 0.50 0.52 0.20 -0.69 0.00 0.00 174.62 175.09 2cri s ASN 36 N 1.19 6.49 -0.33 3.53 -0.87 -1.26 -0.58 114.94 123.11 2cri s ASN 36 Ca 0.02 0.58 -0.11 0.00 -1.57 0.00 0.00 52.86 51.78 2cri s ASN 36 Cb -0.14 -2.29 -0.00 0.00 -0.02 0.00 0.00 41.25 38.80 2cri s ASN 36 CO -0.06 -0.26 0.19 -0.22 -2.57 0.00 0.00 177.10 174.19 2cri s LEU 37 N 2.10 4.37 0.34 0.60 0.20 -0.27 -4.88 118.68 121.14 2cri s LEU 37 Ca 0.22 -0.60 -0.22 0.00 0.69 0.00 0.00 54.13 54.23 2cri s LEU 37 Cb -0.16 -2.05 -0.10 0.00 -0.43 0.00 0.00 46.19 43.46 2cri s LEU 37 CO 0.09 -0.25 0.88 -0.54 -0.29 0.00 0.00 176.35 176.24 2cri s LYS 38 N 1.63 4.33 -0.22 1.98 1.02 0.43 -1.65 119.74 127.26 2cri s LYS 38 Ca 0.05 1.09 -0.04 0.00 0.02 0.00 0.00 55.97 57.09 2cri s LYS 38 Cb -0.18 -2.56 0.08 0.00 -0.52 0.00 0.00 37.83 34.66 2cri s LYS 38 CO 0.08 0.18 0.13 -0.51 -0.92 0.00 0.00 175.35 174.31 2cri s LEU 39 N -2.54 0.32 0.32 3.17 1.43 -0.63 -0.22 118.68 120.54 2cri s LEU 39 Ca 0.53 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 2cri s LEU 39 Cb -0.14 -0.16 -0.06 0.00 0.03 0.00 0.00 46.19 45.86 2cri s LEU 39 CO 0.19 -0.38 0.64 -1.58 0.23 0.00 0.00 176.35 175.45 2cri s GLN 40 N 2.16 3.72 -0.35 1.70 0.74 -0.00 -2.18 119.66 125.45 2cri s GLN 40 Ca 0.05 0.23 0.02 0.00 0.05 0.00 0.00 55.36 55.72 2cri s GLN 40 Cb -0.16 -2.55 0.10 0.00 1.10 0.00 0.00 33.01 31.51 2cri s GLN 40 CO -0.21 0.13 0.09 1.21 -0.55 0.00 0.00 175.29 175.97 2cri s ASN 41 N -3.02 4.43 0.52 6.67 3.84 -1.13 -1.70 114.94 124.55 2cri s ASN 41 Ca 0.47 -2.08 0.31 0.00 0.21 0.00 0.00 52.86 51.78 2cri s ASN 41 Cb -0.11 -1.35 1.28 0.00 -0.55 0.00 0.00 41.25 40.53 2cri s ASN 41 CO 0.29 -0.37 1.96 1.55 -2.79 0.00 0.00 177.10 177.73 2cri h PRO 42 N 7.64 0.00 -7.20 0.43 0.13 -1.92 -3.18 132.00 127.90 2cri h PRO 42 Ca -0.07 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.57 2cri h PRO 42 Cb 1.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.17 2cri h PRO 42 CO 0.51 0.08 0.34 -1.54 -0.23 0.00 0.00 178.00 177.16 2cri s SER 43 N -5.86 6.44 -0.57 1.44 1.04 -1.26 -4.91 113.70 110.02 2cri s SER 43 Ca 0.00 1.42 0.01 0.00 0.48 0.00 0.00 55.95 57.86 2cri s SER 43 Cb 0.10 -2.45 0.55 0.00 0.10 0.00 0.00 66.02 64.31 2cri s SER 43 CO 0.57 -0.67 1.98 0.47 0.98 0.00 0.00 173.24 176.57 2cri n ASP 44 N -2.03 5.94 -3.69 7.02 9.92 -1.26 -3.46 116.55 128.99 2cri n ASP 44 Ca 0.05 -3.71 -0.10 0.00 -0.53 0.00 0.00 54.79 50.50 2cri n ASP 44 Cb 0.54 -0.92 -0.10 0.00 -0.64 0.00 0.00 41.12 40.00 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cri s ARG 45 N -3.59 0.44 0.35 -1.24 1.70 -1.26 -4.87 118.95 110.48 2cri s ARG 45 Ca 0.61 0.84 -0.17 0.00 -0.47 0.00 0.00 55.73 56.54 2cri s ARG 45 Cb 0.50 0.01 -0.13 0.00 -0.57 0.00 0.00 34.95 34.76 2cri s ARG 45 CO 0.04 -0.15 0.03 1.63 -1.08 0.00 0.00 175.30 175.77 2cri n LYS 46 N 4.21 0.00 -3.69 3.89 5.02 -1.26 -4.69 118.16 121.63 2cri n LYS 46 Ca -0.22 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.91 2cri n LYS 46 Cb 0.56 -0.83 -0.15 0.00 -0.02 0.00 0.00 35.03 34.58 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 -1.46 -0.21 0.17 -0.18 1.01 -1.23 -2.13 120.40 116.38 2cri s VAL 47 Ca 0.49 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 2cri s VAL 47 Cb -0.51 -0.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 2cri s VAL 47 CO 0.53 0.13 1.08 0.00 0.00 0.00 0.00 175.10 176.84 2cri s PHE 49 N -0.26 0.89 -0.14 0.00 -0.71 -0.89 -0.18 117.98 116.68 2cri s PHE 49 Ca 0.49 -0.26 -0.01 0.00 -1.04 0.00 0.00 56.93 56.11 2cri s PHE 49 Cb -0.29 -0.72 -0.01 0.00 -1.21 0.00 0.00 43.02 40.79 2cri s PHE 49 CO 0.34 -0.18 -0.12 0.15 -1.34 0.00 0.00 175.22 174.07 2cri s LYS 50 N 0.69 3.37 -0.18 1.99 -0.14 0.27 -3.02 119.74 122.72 2cri s LYS 50 Ca -0.10 -0.68 -0.23 0.00 -1.36 0.00 0.00 55.97 53.60 2cri s LYS 50 Cb -0.13 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.32 2cri s LYS 50 CO 0.01 0.15 0.71 0.08 -0.76 0.00 0.00 175.35 175.53 2cri s VAL 51 N 0.53 4.97 -0.05 3.17 1.01 -1.16 -0.44 120.40 128.43 2cri s VAL 51 Ca -0.08 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.24 2cri s VAL 51 Cb -0.16 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2cri s VAL 51 CO 0.04 0.09 0.12 -0.54 0.00 0.00 0.00 175.10 174.80 2cri s LYS 52 N 1.94 0.08 0.04 2.72 -0.14 -1.07 -4.98 119.74 118.34 2cri s LYS 52 Ca 0.33 0.28 0.02 0.00 -1.36 0.00 0.00 55.97 55.23 2cri s LYS 52 Cb -0.16 -0.12 -0.02 0.00 -1.68 0.00 0.00 37.83 35.85 2cri s LYS 52 CO 0.11 -0.12 -0.07 -0.08 -0.76 0.00 0.00 175.35 174.43 2cri s THR 53 N 0.82 0.50 0.55 2.17 -1.32 -1.26 -0.85 115.64 116.25 2cri s THR 53 Ca -0.06 -1.05 0.28 0.00 -1.21 0.00 0.00 61.69 59.65 2cri s THR 53 Cb -0.08 -0.58 0.41 0.00 -1.51 0.00 0.00 72.50 70.74 2cri s THR 53 CO -0.04 -0.38 1.95 0.71 -2.21 0.00 0.00 174.62 174.65 2cri h THR 54 N 4.52 0.56 -2.76 5.08 1.35 -1.89 -2.95 112.91 116.82 2cri h THR 54 Ca -0.35 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 64.82 2cri h THR 54 Cb 1.20 0.66 -0.36 0.00 -1.73 0.00 0.00 68.15 67.92 2cri h THR 54 CO 0.41 0.00 -0.06 0.00 -0.25 0.00 0.00 175.52 175.62 2cri n ALA 55 N -2.55 4.28 0.43 6.62 0.00 -1.26 -4.85 120.51 123.17 2cri n ALA 55 Ca 0.11 -4.72 0.10 0.00 0.00 0.00 0.00 53.44 48.93 2cri n ALA 55 Cb 0.69 -1.54 0.42 0.00 0.00 0.00 0.00 19.45 19.02 2cri n ALA 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2cri n PRO 56 N 1.45 0.12 -0.03 0.00 -0.04 -1.12 -2.46 135.00 132.93 2cri n PRO 56 Ca 0.26 0.36 -0.02 0.00 -0.04 0.00 0.00 63.50 64.06 2cri n PRO 56 Cb 0.37 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 2cri n PRO 56 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2cri n ARG 57 N -1.97 0.65 -1.35 0.54 0.63 -1.26 -4.26 116.66 109.64 2cri n ARG 57 Ca 0.03 0.06 -0.24 0.00 -0.92 0.00 0.00 57.85 56.77 2cri n ARG 57 Cb 0.20 -1.64 0.11 0.00 0.45 0.00 0.00 32.46 31.58 2cri n ARG 57 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2cri n ARG 58 N -2.72 2.63 -3.71 -0.14 0.63 -1.03 -4.94 116.66 107.38 2cri n ARG 58 Ca -0.18 -3.42 -0.13 0.00 -0.92 0.00 0.00 57.85 53.20 2cri n ARG 58 Cb 0.92 -2.17 -0.09 0.00 0.45 0.00 0.00 32.46 31.57 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 -3.56 -0.53 -0.32 -0.14 2.02 -1.14 -4.10 117.35 109.58 2cri s TYR 59 Ca 0.56 1.28 0.02 0.00 -0.37 0.00 0.00 57.07 58.57 2cri s TYR 59 Cb 0.46 0.19 0.09 0.00 -0.40 0.00 0.00 41.96 42.30 2cri s TYR 59 CO 0.02 -0.26 0.05 0.00 -1.57 0.00 0.00 175.55 173.79 2cri s VAL 61 N 1.16 4.72 -0.20 0.00 1.01 -1.26 -0.30 120.40 125.54 2cri s VAL 61 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2cri s VAL 61 Cb -0.19 -3.10 0.08 0.00 0.00 0.00 0.00 36.38 33.18 2cri s VAL 61 CO -0.13 0.50 0.43 -0.60 0.00 0.00 0.00 175.10 175.30 2cri s ARG 62 N 0.05 0.35 0.56 2.72 3.52 -0.22 -3.21 118.95 122.72 2cri s ARG 62 Ca 0.05 1.00 -0.19 0.00 -0.13 0.00 0.00 55.73 56.46 2cri s ARG 62 Cb -0.12 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.48 2cri s ARG 62 CO 0.01 -0.23 1.13 -1.25 -0.81 0.00 0.00 175.30 174.15 2cri s PRO 63 N 2.35 3.28 0.48 5.12 0.04 -1.26 -1.53 135.00 143.47 2cri s PRO 63 Ca -0.04 1.58 0.18 0.00 0.04 0.00 0.00 61.00 62.76 2cri s PRO 63 Cb -0.11 -2.00 1.20 0.00 0.04 0.00 0.00 34.50 33.63 2cri s PRO 63 CO -0.13 -0.90 2.05 -2.95 0.04 0.00 0.00 177.00 175.11 2cri h ASN 64 N 1.03 0.00 -4.14 6.66 -1.07 -1.94 -3.46 115.58 112.65 2cri h ASN 64 Ca -0.50 0.00 0.18 0.00 0.07 0.00 0.00 56.30 56.06 2cri h ASN 64 Cb 1.26 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 37.31 2cri h ASN 64 CO 0.56 0.13 0.70 -0.94 0.07 0.00 0.00 177.43 177.96 2cri s SER 65 N -6.78 -0.22 0.00 6.14 1.04 -1.26 -3.00 113.70 109.62 2cri s SER 65 Ca -0.04 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2cri s SER 65 Cb 0.15 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2cri s SER 65 CO 0.66 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2cri n GLY 66 N 0.15 1.05 3.25 7.32 0.00 -1.17 -5.05 105.19 110.74 2cri n GLY 66 Ca -0.04 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.84 1.70 -0.32 -0.61 1.01 -1.26 -2.10 121.20 117.78 2cri s ILE 67 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 60.65 59.44 2cri s ILE 67 Cb 0.00 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 41.03 2cri s ILE 67 CO 0.00 0.28 0.09 -0.63 0.00 0.00 0.00 174.94 174.69 2cri s ILE 68 N -0.72 3.87 0.65 2.92 1.01 -1.12 -4.96 121.20 122.85 2cri s ILE 68 Ca 0.08 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 2cri s ILE 68 Cb -0.09 -3.10 -0.08 0.00 0.01 0.00 0.00 42.46 39.21 2cri s ILE 68 CO 0.01 -0.05 0.35 0.47 0.00 0.00 0.00 174.94 175.72 2cri n ASP 69 N 4.84 -1.78 -4.67 3.58 8.00 -1.26 -3.48 116.55 121.77 2cri n ASP 69 Ca -0.13 0.63 -0.42 0.00 0.71 0.00 0.00 54.79 55.57 2cri n ASP 69 Cb 0.46 -1.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 2cri n ASP 69 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cri s PRO 70 N -2.21 4.23 -0.13 -0.24 0.04 -1.26 -3.13 135.00 132.31 2cri s PRO 70 Ca 0.64 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.69 2cri s PRO 70 Cb -0.40 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2cri s PRO 70 CO 0.59 -0.70 0.10 0.41 0.04 0.00 0.00 177.00 177.44 2cri n GLY 71 N 3.83 0.77 3.40 0.56 0.00 -1.20 -4.91 105.19 107.64 2cri n GLY 71 Ca 0.15 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 2cri n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cri s SER 72 N -3.02 0.02 -0.06 1.61 0.01 -1.18 -5.02 113.70 106.07 2cri s SER 72 Ca 0.05 -1.08 0.04 0.00 1.31 0.00 0.00 55.95 56.26 2cri s SER 72 Cb -0.02 0.48 -0.00 0.00 0.21 0.00 0.00 66.02 66.69 2cri s SER 72 CO 0.06 -0.98 -0.18 -0.63 0.41 0.00 0.00 173.24 171.92 2cri s ILE 73 N -4.06 1.52 -0.09 1.44 1.01 -1.26 -2.81 121.20 116.94 2cri s ILE 73 Ca 0.27 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2cri s ILE 73 Cb 0.03 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 2cri s ILE 73 CO 0.08 0.44 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 2cri s VAL 74 N 0.18 3.19 -0.44 2.92 1.01 -0.93 -4.93 120.40 121.40 2cri s VAL 74 Ca -0.08 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2cri s VAL 74 Cb -0.13 -2.30 0.09 0.00 0.00 0.00 0.00 36.38 34.03 2cri s VAL 74 CO 0.04 0.56 0.31 -0.89 0.00 0.00 0.00 175.10 175.11 2cri s THR 75 N -0.21 4.41 0.04 3.92 2.01 -1.26 -1.61 115.64 122.94 2cri s THR 75 Ca 0.01 -1.44 -0.21 0.00 0.31 0.00 0.00 61.69 60.36 2cri s THR 75 Cb -0.13 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 2cri s THR 75 CO 0.03 -0.59 0.62 -0.69 -0.69 0.00 0.00 174.62 173.30 2cri s VAL 76 N 1.45 4.78 -0.23 3.82 1.01 -0.66 -4.88 120.40 125.69 2cri s VAL 76 Ca 0.04 1.31 -0.23 0.00 0.00 0.00 0.00 61.98 63.10 2cri s VAL 76 Cb -0.24 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2cri s VAL 76 CO 0.02 0.47 0.76 -0.44 0.00 0.00 0.00 175.10 175.91 2cri s SER 77 N -0.59 6.77 -0.36 3.32 0.01 -0.58 -1.12 113.70 121.14 2cri s SER 77 Ca 0.31 0.95 0.04 0.00 1.31 0.00 0.00 55.95 58.56 2cri s SER 77 Cb -0.19 -2.40 0.10 0.00 0.21 0.00 0.00 66.02 63.74 2cri s SER 77 CO 0.19 -0.44 0.08 -0.69 0.41 0.00 0.00 173.24 172.79 2cri s VAL 78 N 2.55 2.21 -0.21 3.43 1.01 0.26 -1.05 120.40 128.60 2cri s VAL 78 Ca 0.32 -2.39 -0.20 0.00 0.00 0.00 0.00 61.98 59.72 2cri s VAL 78 Cb -0.16 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2cri s VAL 78 CO 0.09 -0.63 0.59 -0.04 0.00 0.00 0.00 175.10 175.10 2cri s MET 79 N 0.82 4.18 -0.31 2.72 -1.94 0.59 -1.35 119.30 124.01 2cri s MET 79 Ca 0.12 0.52 -0.07 0.00 -1.71 0.00 0.00 55.69 54.55 2cri s MET 79 Cb -0.20 -3.59 0.02 0.00 2.01 0.00 0.00 34.83 33.07 2cri s MET 79 CO -0.08 -0.24 0.09 -1.17 -0.01 0.00 0.00 175.02 173.61 2cri s LEU 80 N 1.93 3.98 0.40 -0.03 1.98 -0.93 -0.57 118.68 125.44 2cri s LEU 80 Ca 0.26 -0.80 -0.27 0.00 -2.89 0.00 0.00 54.13 50.43 2cri s LEU 80 Cb -0.16 -1.89 -0.10 0.00 0.66 0.00 0.00 46.19 44.71 2cri s LEU 80 CO 0.10 -0.23 1.45 0.00 -1.89 0.00 0.00 176.35 175.78 2cri n GLN 81 N 4.86 2.46 -2.26 1.98 3.00 -1.26 -2.80 117.38 123.37 2cri n GLN 81 Ca -0.14 0.87 -0.36 0.00 -0.01 0.00 0.00 57.00 57.36 2cri n GLN 81 Cb 0.47 -2.62 -0.00 0.00 0.00 0.00 0.00 30.24 28.09 2cri n GLN 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2cri s PRO 82 N -2.21 3.56 0.29 -1.09 0.04 -1.26 -4.94 135.00 129.38 2cri s PRO 82 Ca 0.56 1.69 -0.20 0.00 0.04 0.00 0.00 61.00 63.09 2cri s PRO 82 Cb -0.47 -2.21 0.03 0.00 0.04 0.00 0.00 34.50 31.89 2cri s PRO 82 CO 0.61 -0.70 0.75 -0.59 0.04 0.00 0.00 177.00 177.11 2cri s PHE 83 N -1.66 -0.14 -0.96 0.56 -0.12 -1.11 -4.98 117.98 109.58 2cri s PHE 83 Ca 0.68 -0.34 -0.25 0.00 -0.05 0.00 0.00 56.93 56.97 2cri s PHE 83 Cb -0.26 0.72 -0.09 0.00 -0.63 0.00 0.00 43.02 42.76 2cri s PHE 83 CO 0.31 -1.26 2.06 0.34 -0.05 0.00 0.00 175.22 176.61 2cri s ASP 84 N -2.95 4.68 -0.58 1.98 2.15 -1.26 -4.87 116.67 115.82 2cri s ASP 84 Ca 0.12 -0.77 -0.27 0.00 0.43 0.00 0.00 52.55 52.06 2cri s ASP 84 Cb -0.06 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.99 2cri s ASP 84 CO 0.07 -3.27 1.73 -0.47 -0.17 0.00 0.00 175.17 173.06 2cri s TYR 85 N 12.00 1.84 -0.27 -5.34 5.04 -1.26 -4.96 117.35 124.39 2cri s TYR 85 Ca 0.76 0.64 -0.02 0.00 -2.44 0.00 0.00 57.07 56.01 2cri s TYR 85 Cb -0.07 -4.19 0.03 0.00 0.35 0.00 0.00 41.96 38.09 2cri s TYR 85 CO 0.06 -2.31 -0.03 -0.51 -1.34 0.00 0.00 175.55 171.42 2cri s ASP 86 N 6.86 4.59 0.06 4.32 1.11 -1.26 -5.00 116.67 127.35 2cri s ASP 86 Ca 0.63 -1.01 -0.18 0.00 0.18 0.00 0.00 52.55 52.17 2cri s ASP 86 Cb -0.13 -1.70 -0.12 0.00 1.07 0.00 0.00 42.92 42.04 2cri s ASP 86 CO 0.22 -0.18 1.38 1.55 1.18 0.00 0.00 175.17 179.32 2cri h PRO 87 N 8.02 0.49 -0.68 8.23 0.13 -2.00 -3.23 132.00 142.96 2cri h PRO 87 Ca -0.28 -0.26 0.15 0.00 -0.87 0.00 0.00 66.00 64.74 2cri h PRO 87 Cb 1.09 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 2cri h PRO 87 CO 0.56 0.83 0.05 -0.91 -0.23 0.00 0.00 178.00 178.30 2cri h ASN 88 N 0.16 -0.21 -3.02 1.44 -0.26 -2.03 -3.39 115.58 108.26 2cri h ASN 88 Ca 0.03 0.16 -0.54 0.00 -0.56 0.00 0.00 56.30 55.39 2cri h ASN 88 Cb 0.74 0.27 0.00 0.00 -1.06 0.00 0.00 38.32 38.26 2cri h ASN 88 CO 0.05 -0.11 0.72 -0.70 -1.06 0.00 0.00 177.43 176.34 2cri s GLU 89 N -6.11 4.34 -0.34 0.81 -6.30 -1.22 -4.90 118.70 104.97 2cri s GLU 89 Ca -0.13 1.89 -0.43 0.00 -2.50 0.00 0.00 54.97 53.79 2cri s GLU 89 Cb 0.20 -3.46 -0.18 0.00 0.00 0.00 0.00 34.13 30.70 2cri s GLU 89 CO 0.75 -0.45 1.61 0.36 0.02 0.00 0.00 175.26 177.55 2cri n LYS 90 N 4.74 0.56 -2.99 4.30 2.85 -1.26 -4.88 118.16 121.47 2cri n LYS 90 Ca 0.11 0.21 -0.41 0.00 -1.05 0.00 0.00 58.31 57.17 2cri n LYS 90 Cb 0.44 -1.79 -0.05 0.00 -0.65 0.00 0.00 35.03 32.98 2cri n LYS 90 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2cri s SER 91 N 2.89 6.76 -0.38 -5.58 1.04 -1.26 -5.02 113.70 112.14 2cri s SER 91 Ca 1.00 0.93 -0.00 0.00 0.48 0.00 0.00 55.95 58.36 2cri s SER 91 Cb -1.27 -2.40 0.10 0.00 0.10 0.00 0.00 66.02 62.56 2cri s SER 91 CO 0.71 -0.41 0.13 -0.75 0.98 0.00 0.00 173.24 173.91 2cri s LYS 92 N 2.46 1.80 -0.19 4.02 2.20 -1.26 -5.05 119.74 123.72 2cri s LYS 92 Ca 0.32 -1.83 -0.30 0.00 -0.36 0.00 0.00 55.97 53.80 2cri s LYS 92 Cb -0.16 -3.42 0.14 0.00 -1.51 0.00 0.00 37.83 32.89 2cri s LYS 92 CO 0.09 -1.01 1.09 -3.38 -0.36 0.00 0.00 175.35 171.78 2cri s HIS 93 N 1.05 -0.28 0.07 4.03 -3.43 -1.26 -5.00 115.29 110.46 2cri s HIS 93 Ca 0.09 0.48 -0.26 0.00 -0.80 0.00 0.00 55.06 54.57 2cri s HIS 93 Cb -0.21 0.46 0.08 0.00 -1.43 0.00 0.00 32.58 31.48 2cri s HIS 93 CO -0.06 -0.26 0.70 0.21 -2.00 0.00 0.00 174.74 173.33 2cri s LYS 94 N -1.10 1.11 -0.21 -0.38 2.20 -1.26 -4.73 119.74 115.37 2cri s LYS 94 Ca 0.01 -0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.33 2cri s LYS 94 Cb -0.01 0.51 -0.01 0.00 -1.51 0.00 0.00 37.83 36.82 2cri s LYS 94 CO -0.01 -0.45 -0.05 0.12 -0.36 0.00 0.00 175.35 174.60 2cri s PHE 95 N -2.95 2.95 -0.32 4.03 5.36 -0.38 -2.49 117.98 124.18 2cri s PHE 95 Ca -0.01 -0.90 0.02 0.00 -0.96 0.00 0.00 56.93 55.08 2cri s PHE 95 Cb -0.01 -2.08 0.09 0.00 -0.34 0.00 0.00 43.02 40.68 2cri s PHE 95 CO -0.07 -0.51 0.02 -1.64 -1.46 0.00 0.00 175.22 171.57 2cri s MET 96 N 1.35 1.84 -0.15 10.12 -1.94 -0.03 -1.91 119.30 128.58 2cri s MET 96 Ca 0.04 -1.68 -0.12 0.00 -1.71 0.00 0.00 55.69 52.23 2cri s MET 96 Cb -0.14 -3.17 -0.05 0.00 2.01 0.00 0.00 34.83 33.48 2cri s MET 96 CO -0.03 -0.83 0.24 0.08 -0.01 0.00 0.00 175.02 174.48 2cri s VAL 97 N 1.02 5.34 0.02 -6.03 1.01 -1.17 -2.58 120.40 118.00 2cri s VAL 97 Ca 0.04 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 2cri s VAL 97 Cb -0.20 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2cri s VAL 97 CO -0.06 0.46 0.23 -1.58 0.00 0.00 0.00 175.10 174.15 2cri s GLN 98 N 0.06 3.50 -0.13 2.72 0.74 0.42 -0.86 119.66 126.11 2cri s GLN 98 Ca 0.15 -0.24 -0.07 0.00 0.05 0.00 0.00 55.36 55.25 2cri s GLN 98 Cb -0.13 -3.06 0.05 0.00 1.10 0.00 0.00 33.01 30.98 2cri s GLN 98 CO 0.03 0.64 0.31 0.95 -0.55 0.00 0.00 175.29 176.67 2cri s THR 99 N -1.38 -0.07 -0.03 -0.34 -4.23 0.53 -0.57 115.64 109.56 2cri s THR 99 Ca 0.30 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.92 2cri s THR 99 Cb -0.13 -0.48 0.01 0.00 1.34 0.00 0.00 72.50 73.24 2cri s THR 99 CO 0.20 0.06 0.07 -0.51 -0.54 0.00 0.00 174.62 173.89 2cri s ILE 100 N 1.41 0.00 0.35 2.99 2.07 0.74 -2.59 121.20 126.17 2cri s ILE 100 Ca -0.09 -0.02 -0.28 0.00 -1.41 0.00 0.00 60.65 58.84 2cri s ILE 100 Cb -0.10 -0.11 -0.12 0.00 0.13 0.00 0.00 42.46 42.26 2cri s ILE 100 CO -0.10 -0.01 1.43 0.49 -1.91 0.00 0.00 174.94 174.84 2cri n PHE 101 N 3.00 2.70 -3.85 3.50 3.72 -1.26 -0.48 117.46 124.79 2cri n PHE 101 Ca -0.13 0.46 -0.37 0.00 -0.05 0.00 0.00 57.45 57.36 2cri n PHE 101 Cb 0.59 -2.50 -0.06 0.00 -0.94 0.00 0.00 39.48 36.57 2cri n PHE 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cri s ALA 102 N -0.92 3.86 0.73 4.37 0.00 -0.91 -4.72 121.76 124.17 2cri s ALA 102 Ca 0.56 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 2cri s ALA 102 Cb -0.52 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 20.62 2cri s ALA 102 CO 0.61 0.58 1.10 -1.25 0.00 0.00 0.00 175.76 176.80 2cri s PRO 103 N -0.94 2.48 0.39 0.00 0.04 -1.26 -4.72 135.00 130.99 2cri s PRO 103 Ca 0.15 1.26 0.18 0.00 0.04 0.00 0.00 61.00 62.64 2cri s PRO 103 Cb -0.12 -1.92 0.80 0.00 0.04 0.00 0.00 34.50 33.29 2cri s PRO 103 CO 0.04 -1.48 1.80 -1.00 0.04 0.00 0.00 177.00 176.40 2cri h PRO 104 N -0.64 0.00 -0.45 0.56 0.13 -1.98 -2.80 132.00 126.82 2cri h PRO 104 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2cri h PRO 104 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2cri h PRO 104 CO 0.52 0.35 0.00 -1.71 -0.23 0.00 0.00 178.00 176.93 2cri n ASN 105 N -3.71 4.83 -4.66 1.44 5.15 -1.26 -5.02 115.26 112.04 2cri n ASN 105 Ca -0.01 -2.91 -0.63 0.00 -0.60 0.00 0.00 54.58 50.44 2cri n ASN 105 Cb 0.45 -0.61 -0.09 0.00 -0.53 0.00 0.00 39.78 39.00 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cri n ILE 106 N 0.19 0.04 0.00 -1.44 3.06 -1.06 -4.85 119.36 115.31 2cri n ILE 106 Ca 0.25 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.49 2cri n ILE 106 Cb 1.03 -0.48 0.00 0.00 0.54 0.00 0.00 39.64 40.73 2cri n ILE 106 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 2cri n SER 107 N 3.34 0.03 -4.47 9.51 2.88 -1.26 -4.96 113.62 118.69 2cri n SER 107 Ca 0.26 0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 57.38 2cri n SER 107 Cb 0.03 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 2cri n SER 107 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2cri s ASP 108 N -4.89 6.49 0.23 -3.46 1.01 -1.26 -4.89 116.67 109.89 2cri s ASP 108 Ca 0.00 -1.68 -0.10 0.00 0.71 0.00 0.00 52.55 51.48 2cri s ASP 108 Cb 0.00 -2.43 0.34 0.00 1.01 0.00 0.00 42.92 41.85 2cri s ASP 108 CO 0.00 -1.22 1.64 -0.03 0.21 0.00 0.00 175.17 175.77 2cri h MET 109 N 9.16 0.09 -0.19 8.23 4.05 -2.00 -0.17 114.93 134.08 2cri h MET 109 Ca 0.04 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2cri h MET 109 Cb 1.03 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 2cri h MET 109 CO 1.17 0.06 0.13 1.05 0.23 0.00 0.00 176.91 179.54 2cri h GLU 110 N 0.09 0.26 -0.70 0.39 4.11 -2.01 -2.65 114.58 114.07 2cri h GLU 110 Ca 0.36 -0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.87 2cri h GLU 110 Cb 0.59 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 2cri h GLU 110 CO -0.61 0.17 0.33 0.00 0.07 0.00 0.00 179.01 178.97 2cri h ALA 111 N 1.07 0.96 -0.01 1.06 0.00 -1.50 -2.07 119.26 118.77 2cri h ALA 111 Ca 0.07 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2cri h ALA 111 Cb -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2cri h ALA 111 CO -0.02 -0.08 -0.22 0.28 0.00 0.00 0.00 179.25 179.22 2cri h VAL 112 N 0.56 0.49 -0.87 0.00 2.07 -0.81 0.66 116.25 118.36 2cri h VAL 112 Ca 0.35 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.98 2cri h VAL 112 Cb 0.40 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 2cri h VAL 112 CO -0.29 0.00 0.50 -0.50 0.02 0.00 0.00 177.57 177.31 2cri h TRP 113 N -0.34 0.90 0.49 1.57 -0.00 -1.16 0.21 115.95 117.62 2cri h TRP 113 Ca 0.06 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.96 2cri h TRP 113 Cb 0.42 -0.28 0.00 0.00 -0.00 0.00 0.00 29.16 29.31 2cri h TRP 113 CO -0.27 0.34 -0.23 0.87 -0.00 0.00 0.00 178.44 179.16 2cri h LYS 114 N 0.81 -0.63 -0.94 0.49 1.57 -0.71 -3.07 116.57 114.09 2cri h LYS 114 Ca 0.43 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.33 2cri h LYS 114 Cb 0.44 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.83 2cri h LYS 114 CO -0.27 -0.34 0.61 0.93 -0.57 0.00 0.00 179.45 179.81 2cri h GLU 115 N -0.85 1.00 -6.09 3.15 5.08 -0.52 -3.43 114.58 112.92 2cri h GLU 115 Ca -0.07 -0.06 -0.79 0.00 -1.00 0.00 0.00 59.36 57.44 2cri h GLU 115 Cb 0.58 -0.23 0.03 0.00 0.50 0.00 0.00 28.75 29.63 2cri h GLU 115 CO 0.11 0.66 0.61 0.00 -1.00 0.00 0.00 179.01 179.39 2cri n ALA 116 N -2.38 -1.35 -2.22 3.43 0.00 0.69 -4.92 120.51 113.75 2cri n ALA 116 Ca 0.15 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.78 2cri n ALA 116 Cb 0.24 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 2cri n ALA 116 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cri s LYS 117 N 2.27 3.74 0.46 0.00 -0.14 -1.26 -4.93 119.74 119.88 2cri s LYS 117 Ca 0.97 0.40 0.25 0.00 -1.36 0.00 0.00 55.97 56.23 2cri s LYS 117 Cb -1.24 -2.41 1.05 0.00 -1.68 0.00 0.00 37.83 33.54 2cri s LYS 117 CO 0.67 -0.03 1.89 -1.00 -0.76 0.00 0.00 175.35 176.11 2cri h PRO 118 N 1.19 0.00 0.00 -1.68 0.13 -1.91 0.28 132.00 130.01 2cri h PRO 118 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2cri h PRO 118 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2cri h PRO 118 CO 0.64 0.21 -0.30 -0.44 -0.23 0.00 0.00 178.00 177.87 2cri h ASP 119 N 0.00 0.00 0.00 1.44 3.32 -2.01 -3.28 116.42 115.89 2cri h ASP 119 Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 2cri h ASP 119 Cb 0.65 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 2cri h ASP 119 CO 0.03 0.30 -2.04 -0.62 -1.72 0.00 0.00 179.24 175.18 2cri n GLU 120 N -3.24 1.04 -1.91 3.56 1.02 -1.02 -4.95 120.64 115.14 2cri n GLU 120 Ca 0.02 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 2cri n GLU 120 Cb 0.59 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 2cri n GLU 120 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cri s LEU 121 N -4.92 4.36 0.07 -4.62 1.43 0.96 -4.97 118.68 111.00 2cri s LEU 121 Ca -0.08 2.45 -0.02 0.00 -1.03 0.00 0.00 54.13 55.45 2cri s LEU 121 Cb 0.07 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 2cri s LEU 121 CO 0.71 -0.92 0.26 -0.04 0.23 0.00 0.00 176.35 176.59 2cri s MET 122 N 3.27 3.51 0.35 1.70 -1.94 -1.07 -4.91 119.30 120.22 2cri s MET 122 Ca 0.76 -0.28 0.04 0.00 -1.71 0.00 0.00 55.69 54.49 2cri s MET 122 Cb -0.39 -2.99 -0.03 0.00 2.01 0.00 0.00 34.83 33.43 2cri s MET 122 CO 0.33 0.58 0.14 -0.51 -0.01 0.00 0.00 175.02 175.55 2cri s ASP 123 N -2.34 2.16 -0.01 3.03 1.11 -1.26 -0.35 116.67 119.01 2cri s ASP 123 Ca 0.35 -1.60 0.00 0.00 0.18 0.00 0.00 52.55 51.49 2cri s ASP 123 Cb -0.13 0.39 0.02 0.00 1.07 0.00 0.00 42.92 44.27 2cri s ASP 123 CO 0.25 -0.89 0.00 -0.94 1.18 0.00 0.00 175.17 174.78 2cri s SER 124 N -3.48 0.19 -0.48 0.27 1.04 -0.04 -4.69 113.70 106.51 2cri s SER 124 Ca 0.31 -0.00 -0.19 0.00 0.48 0.00 0.00 55.95 56.54 2cri s SER 124 Cb 0.04 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.12 2cri s SER 124 CO 0.17 -0.06 0.61 -0.54 0.98 0.00 0.00 173.24 174.40 2cri s LYS 125 N 0.60 3.15 -0.05 4.02 1.02 -1.26 -3.07 119.74 124.16 2cri s LYS 125 Ca -0.05 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.22 2cri s LYS 125 Cb -0.08 -4.05 -0.01 0.00 -0.52 0.00 0.00 37.83 33.17 2cri s LYS 125 CO -0.01 -1.14 -0.21 -1.17 -0.92 0.00 0.00 175.35 171.89 2cri s LEU 126 N 2.63 2.00 -0.16 3.17 0.20 -0.80 -5.03 118.68 120.69 2cri s LEU 126 Ca 0.16 -0.43 -0.07 0.00 0.69 0.00 0.00 54.13 54.48 2cri s LEU 126 Cb -0.18 -1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 44.36 2cri s LEU 126 CO 0.14 0.21 0.07 0.00 -0.29 0.00 0.00 176.35 176.48 2cri s ARG 127 N -0.11 3.82 -0.10 1.98 1.70 -1.26 -1.25 118.95 123.73 2cri s ARG 127 Ca -0.03 -0.31 -0.18 0.00 -0.47 0.00 0.00 55.73 54.75 2cri s ARG 127 Cb -0.12 -3.19 -0.04 0.00 -0.57 0.00 0.00 34.95 31.03 2cri s ARG 127 CO 0.03 0.39 0.47 0.00 -1.08 0.00 0.00 175.30 175.11 2cri s VAL 129 N 0.41 3.02 -0.50 0.00 1.01 -0.55 -4.96 120.40 118.83 2cri s VAL 129 Ca 0.26 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 2cri s VAL 129 Cb -0.15 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.69 2cri s VAL 129 CO 0.11 0.13 0.86 -0.36 0.00 0.00 0.00 175.10 175.84 2cri s PHE 130 N 1.33 2.90 0.33 5.22 0.08 -1.26 -0.94 117.98 125.63 2cri s PHE 130 Ca -0.01 0.05 0.08 0.00 0.12 0.00 0.00 56.93 57.17 2cri s PHE 130 Cb -0.17 -3.88 -0.03 0.00 -0.57 0.00 0.00 43.02 38.36 2cri s PHE 130 CO -0.03 -1.18 0.23 -1.21 -0.10 0.00 0.00 175.22 172.94 2cri s GLU 131 N 3.60 2.64 0.19 0.44 0.41 -0.91 -4.96 118.70 120.11 2cri s GLU 131 Ca 0.30 -1.34 0.11 0.00 -0.41 0.00 0.00 54.97 53.63 2cri s GLU 131 Cb -0.13 -2.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.79 2cri s GLU 131 CO 0.21 0.14 -0.24 -1.64 -0.49 0.00 0.00 175.26 173.24 2cri s MET 132 N -3.93 1.50 -0.11 1.61 -1.94 -1.26 -2.78 119.30 112.39 2cri s MET 132 Ca 0.39 -1.52 -0.29 0.00 -1.71 0.00 0.00 55.69 52.55 2cri s MET 132 Cb -0.05 -1.80 -0.04 0.00 2.01 0.00 0.00 34.83 34.95 2cri s MET 132 CO 0.25 0.39 1.53 -1.25 -0.01 0.00 0.00 175.02 175.93 2cri s PRO 133 N -2.69 4.15 -0.23 2.03 0.04 -1.26 -4.79 135.00 132.25 2cri s PRO 133 Ca 0.20 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.17 2cri s PRO 133 Cb -0.08 -3.92 0.08 0.00 0.04 0.00 0.00 34.50 30.62 2cri s PRO 133 CO 0.10 -0.85 0.10 -0.80 0.04 0.00 0.00 177.00 175.59 2cri s ASN 134 N 3.03 2.95 -1.05 6.66 0.02 -1.26 -4.88 114.94 120.40 2cri s ASN 134 Ca 0.67 -0.95 -0.01 0.00 -1.02 0.00 0.00 52.86 51.55 2cri s ASN 134 Cb -0.29 -0.33 -0.01 0.00 0.02 0.00 0.00 41.25 40.64 2cri s ASN 134 CO 0.25 -0.39 0.88 -0.62 0.02 0.00 0.00 177.10 177.24 2cri n GLU 135 N 5.24 -5.15 -1.23 -0.60 -0.58 -1.26 -4.88 120.64 112.17 2cri n GLU 135 Ca -0.07 0.76 -0.19 0.00 -0.42 0.00 0.00 57.16 57.25 2cri n GLU 135 Cb 0.46 -5.49 -0.12 0.00 -0.57 0.00 0.00 31.44 25.72 2cri n GLU 135 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2cri n ASN 136 N -2.93 5.87 -3.65 1.62 0.23 -1.26 -4.77 115.26 110.38 2cri n ASN 136 Ca -0.22 -2.81 -0.06 0.00 -0.53 0.00 0.00 54.58 50.96 2cri n ASN 136 Cb 0.64 -1.34 -0.07 0.00 -2.08 0.00 0.00 39.78 36.94 2cri n ASN 136 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 2cri s ASP 137 N 1.26 -0.95 -0.57 0.53 -4.77 -1.26 -5.11 116.67 105.80 2cri s ASP 137 Ca 0.63 1.49 0.04 0.00 -3.30 0.00 0.00 52.55 51.41 2cri s ASP 137 Cb 0.34 1.53 0.15 0.00 -1.09 0.00 0.00 42.92 43.85 2cri s ASP 137 CO -0.10 -0.23 0.35 -1.59 0.70 0.00 0.00 175.17 174.29 2cri s LYS 138 N 1.87 1.97 -0.50 2.11 0.00 -1.26 -4.85 119.74 119.09 2cri s LYS 138 Ca -0.09 -2.75 -0.06 0.00 0.00 0.00 0.00 55.97 53.07 2cri s LYS 138 Cb -0.07 -3.07 0.06 0.00 0.00 0.00 0.00 37.83 34.75 2cri s LYS 138 CO -0.19 -1.20 0.16 -0.11 0.00 0.00 0.00 175.35 174.01 2cri n LEU 139 N 2.75 -0.22 -4.28 2.77 0.00 -1.26 -4.84 117.00 111.93 2cri n LEU 139 Ca 0.12 -0.11 -0.32 0.00 0.00 0.00 0.00 56.01 55.70 2cri n LEU 139 Cb 0.34 -0.86 -0.16 0.00 0.00 0.00 0.00 43.42 42.74 2cri n LEU 139 CO 0.28 0.03 -0.51 0.54 0.00 0.00 0.00 177.39 177.73 2cri s ASN 140 N -1.85 3.50 -0.04 1.96 4.22 -1.26 -5.11 114.94 116.35 2cri s ASN 140 Ca 0.22 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 2cri s ASN 140 Cb -0.13 -1.50 0.02 0.00 1.28 0.00 0.00 41.25 40.92 2cri s ASN 140 CO 0.27 0.16 -0.02 -0.62 -2.04 0.00 0.00 177.10 174.85 2cri s ASP 141 N 0.38 0.82 -0.20 3.54 2.15 -1.26 -5.04 116.67 117.06 2cri s ASP 141 Ca -0.15 -0.08 -0.15 0.00 0.43 0.00 0.00 52.55 52.60 2cri s ASP 141 Cb -0.17 -0.35 -0.04 0.00 -0.30 0.00 0.00 42.92 42.06 2cri s ASP 141 CO 0.07 -0.09 0.37 -0.44 -0.17 0.00 0.00 175.17 174.91 2cri s SER 142 N 1.11 6.41 0.66 -0.34 0.01 -1.26 -5.06 113.70 115.22 2cri s SER 142 Ca -0.08 0.48 -0.17 0.00 1.31 0.00 0.00 55.95 57.48 2cri s SER 142 Cb -0.14 -2.22 -0.00 0.00 0.21 0.00 0.00 66.02 63.87 2cri s SER 142 CO -0.01 -0.06 1.25 -0.83 0.41 0.00 0.00 173.24 174.00 2cri s GLY 143 N 1.02 2.68 0.23 3.44 0.00 -1.26 -4.95 107.32 108.48 2cri s GLY 143 Ca 0.18 1.06 -0.30 0.00 0.00 0.00 0.00 44.72 45.66 2cri s GLY 143 CO 0.07 1.48 1.28 2.56 0.00 0.00 0.00 173.10 178.49 2cri s PRO 144 N -3.52 4.42 0.21 2.90 0.04 -1.26 -5.02 135.00 132.75 2cri s PRO 144 Ca 0.79 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.66 2cri s PRO 144 Cb -0.33 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.08 2cri s PRO 144 CO 0.40 -0.18 0.64 -1.54 0.04 0.00 0.00 177.00 176.35 2cri s SER 145 N 0.04 -0.44 0.36 6.66 1.04 -1.26 -5.18 113.70 114.92 2cri s SER 145 Ca 0.54 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.79 2cri s SER 145 Cb -0.36 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2cri s SER 145 CO 0.41 -1.11 0.22 -0.55 0.98 0.00 0.00 173.24 173.18 2cri s SER 146 N -2.82 4.86 0.00 7.02 0.15 -1.26 -5.30 113.70 116.35 2cri s SER 146 Ca 0.05 -0.73 0.05 0.00 0.70 0.00 0.00 55.95 56.03 2cri s SER 146 Cb -0.03 -0.75 0.04 0.00 -1.71 0.00 0.00 66.02 63.58 2cri s SER 146 CO -0.05 -0.38 0.67 0.61 1.20 0.00 0.00 173.24 175.28