#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cri s SER 2 N 0.00 -0.13 -0.07 1.61 0.15 -1.26 -5.12 113.70 108.88 2cri s SER 2 Ca 0.00 0.86 -0.37 0.00 0.70 0.00 0.00 55.95 57.14 2cri s SER 2 Cb 0.00 1.26 -0.15 0.00 -1.71 0.00 0.00 66.02 65.42 2cri s SER 2 CO 0.00 -0.24 1.63 -1.20 1.20 0.00 0.00 173.24 174.62 2cri n SER 3 N 5.38 2.48 -3.16 5.45 7.64 -1.26 -4.93 113.62 125.23 2cri n SER 3 Ca -0.08 1.07 0.05 0.00 1.01 0.00 0.00 58.87 60.93 2cri n SER 3 Cb 0.50 -1.24 -0.02 0.00 -1.01 0.00 0.00 64.21 62.44 2cri n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cri s GLY 4 N 2.34 -0.34 -0.13 0.23 0.00 -1.26 -5.16 107.32 103.00 2cri s GLY 4 Ca 0.90 2.78 -0.07 0.00 0.00 0.00 0.00 44.72 48.33 2cri s GLY 4 CO 0.53 3.78 0.13 -0.45 0.00 0.00 0.00 173.10 177.09 2cri s SER 5 N 2.93 6.27 -0.67 1.64 0.15 -1.26 -5.06 113.70 117.70 2cri s SER 5 Ca -0.01 0.40 -0.05 0.00 0.70 0.00 0.00 55.95 56.99 2cri s SER 5 Cb -0.10 -2.04 0.17 0.00 -1.71 0.00 0.00 66.02 62.34 2cri s SER 5 CO -0.11 0.36 0.51 -0.94 1.20 0.00 0.00 173.24 174.26 2cri s SER 6 N -0.74 5.50 0.00 5.45 1.04 -1.26 -4.99 113.70 118.70 2cri s SER 6 Ca 0.13 -2.87 0.00 0.00 0.48 0.00 0.00 55.95 53.70 2cri s SER 6 Cb -0.12 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.09 2cri s SER 6 CO 0.03 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2cri n GLY 7 N 3.51 0.55 3.37 7.32 0.00 -1.26 -5.00 105.19 113.68 2cri n GLY 7 Ca 0.09 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.83 3.46 0.36 1.61 1.00 -1.26 -5.10 119.30 115.55 2cri s MET 8 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 55.69 55.13 2cri s MET 8 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 34.83 31.81 2cri s MET 8 CO 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 175.02 175.06 2cri s ALA 9 N 1.14 2.60 -0.35 3.03 0.00 -1.26 -5.13 121.76 121.80 2cri s ALA 9 Ca 0.02 -1.59 -0.14 0.00 0.00 0.00 0.00 51.96 50.25 2cri s ALA 9 Cb -0.15 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 2cri s ALA 9 CO -0.00 -0.34 0.27 0.15 0.00 0.00 0.00 175.76 175.84 2cri s LYS 10 N -3.81 3.45 -0.22 0.00 3.01 -1.26 -5.04 119.74 115.87 2cri s LYS 10 Ca 0.30 -0.63 -0.08 0.00 -1.01 0.00 0.00 55.97 54.54 2cri s LYS 10 Cb 0.05 -3.83 0.10 0.00 -1.01 0.00 0.00 37.83 33.14 2cri s LYS 10 CO 0.15 -0.50 0.49 -3.38 0.51 0.00 0.00 175.35 172.62 2cri s HIS 11 N 1.79 -0.93 -0.53 3.18 -3.43 -1.26 -5.12 115.29 108.99 2cri s HIS 11 Ca 0.07 1.74 -0.13 0.00 -0.80 0.00 0.00 55.06 55.94 2cri s HIS 11 Cb -0.17 0.44 0.13 0.00 -1.43 0.00 0.00 32.58 31.55 2cri s HIS 11 CO 0.11 -0.52 0.45 -2.00 -2.00 0.00 0.00 174.74 170.78 2cri s GLU 12 N 2.51 2.82 0.05 -0.38 2.56 -1.26 -5.05 118.70 119.94 2cri s GLU 12 Ca -0.04 -1.78 0.07 0.00 0.00 0.00 0.00 54.97 53.22 2cri s GLU 12 Cb -0.11 -4.16 -0.02 0.00 2.00 0.00 0.00 34.13 31.84 2cri s GLU 12 CO -0.15 -1.28 -0.19 -1.14 -0.56 0.00 0.00 175.26 171.95 2cri s GLN 13 N 1.42 1.23 -0.14 4.30 0.74 -1.26 -4.60 119.66 121.35 2cri s GLN 13 Ca 0.05 -0.90 0.08 0.00 0.05 0.00 0.00 55.36 54.64 2cri s GLN 13 Cb -0.28 -1.32 -0.14 0.00 1.10 0.00 0.00 33.01 32.38 2cri s GLN 13 CO 0.01 0.33 -0.01 1.51 -0.55 0.00 0.00 175.29 176.58 2cri n ILE 14 N 1.82 0.89 -3.20 -2.34 0.13 -1.26 -4.95 119.36 110.44 2cri n ILE 14 Ca -0.18 -0.48 -0.39 0.00 -1.10 0.00 0.00 62.75 60.60 2cri n ILE 14 Cb 0.54 -0.79 -0.06 0.00 -0.84 0.00 0.00 39.64 38.48 2cri n ILE 14 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2cri s LEU 15 N -5.25 4.18 -0.57 9.51 1.43 -1.26 -4.22 118.68 122.49 2cri s LEU 15 Ca -0.11 0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 53.53 2cri s LEU 15 Cb 0.04 -2.79 0.05 0.00 0.03 0.00 0.00 46.19 43.52 2cri s LEU 15 CO 0.47 -0.18 0.96 -0.69 0.23 0.00 0.00 176.35 177.15 2cri s VAL 16 N 1.51 4.35 0.50 -1.59 1.01 0.17 -4.95 120.40 121.41 2cri s VAL 16 Ca 0.27 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 2cri s VAL 16 Cb -0.16 -4.57 -0.07 0.00 0.00 0.00 0.00 36.38 31.58 2cri s VAL 16 CO 0.10 -1.19 1.15 -0.76 0.00 0.00 0.00 175.10 174.40 2cri s LEU 17 N 4.03 3.89 -0.07 3.92 1.02 -1.26 -0.76 118.68 129.44 2cri s LEU 17 Ca 0.29 2.25 -0.03 0.00 0.02 0.00 0.00 54.13 56.66 2cri s LEU 17 Cb -0.13 -4.40 0.04 0.00 0.02 0.00 0.00 46.19 41.72 2cri s LEU 17 CO 0.18 -1.06 0.13 -1.81 0.02 0.00 0.00 176.35 173.80 2cri s ASP 18 N -1.55 0.92 0.26 2.29 1.01 0.25 -1.04 116.67 118.80 2cri s ASP 18 Ca 0.68 0.22 -0.30 0.00 0.71 0.00 0.00 52.55 53.87 2cri s ASP 18 Cb -0.26 0.14 -0.09 0.00 1.01 0.00 0.00 42.92 43.71 2cri s ASP 18 CO 0.31 -0.25 1.27 -2.16 0.21 0.00 0.00 175.17 174.55 2cri s PRO 19 N 2.25 4.43 0.31 8.23 0.04 -1.26 -0.09 135.00 148.92 2cri s PRO 19 Ca 0.04 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.23 2cri s PRO 19 Cb -0.12 -3.16 0.51 0.00 0.04 0.00 0.00 34.50 31.77 2cri s PRO 19 CO -0.05 -0.14 1.71 -1.00 0.04 0.00 0.00 177.00 177.56 2cri h PRO 20 N 4.45 0.07 0.00 0.56 0.13 -1.45 -3.37 132.00 132.39 2cri h PRO 20 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.54 0.00 0.43 -0.23 0.00 0.00 178.00 179.45 2cri n SER 21 N -3.97 0.00 -3.89 1.44 7.64 -1.26 -4.95 113.62 108.62 2cri n SER 21 Ca -0.02 0.32 -0.11 0.00 1.01 0.00 0.00 58.87 60.08 2cri n SER 21 Cb 0.51 -0.24 -0.11 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.95 0.06 -0.47 6.43 -4.77 -1.26 -4.42 116.67 110.28 2cri s ASP 22 Ca 0.00 -0.20 -0.18 0.00 -3.30 0.00 0.00 52.55 48.88 2cri s ASP 22 Cb 0.00 0.18 0.05 0.00 -1.09 0.00 0.00 42.92 42.06 2cri s ASP 22 CO 0.00 -0.28 0.50 -0.22 0.70 0.00 0.00 175.17 175.88 2cri s LEU 23 N -1.08 5.08 0.62 2.11 2.96 -1.03 -4.57 118.68 122.77 2cri s LEU 23 Ca -0.12 -0.92 -0.16 0.00 -0.22 0.00 0.00 54.13 52.72 2cri s LEU 23 Cb -0.07 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 2cri s LEU 23 CO 0.01 -0.72 1.09 -0.54 -1.32 0.00 0.00 176.35 174.87 2cri s LYS 24 N 2.22 3.07 -0.14 1.98 1.02 -1.26 -1.83 119.74 124.80 2cri s LYS 24 Ca 0.12 1.35 -0.00 0.00 0.02 0.00 0.00 55.97 57.45 2cri s LYS 24 Cb -0.20 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2cri s LYS 24 CO 0.11 -1.03 -0.06 -0.06 -0.92 0.00 0.00 175.35 173.39 2cri s PHE 25 N -2.31 1.57 -0.30 3.18 0.40 0.17 -4.85 117.98 115.85 2cri s PHE 25 Ca 0.66 -0.89 -0.27 0.00 -0.60 0.00 0.00 56.93 55.83 2cri s PHE 25 Cb -0.19 -1.27 0.01 0.00 0.51 0.00 0.00 43.02 42.08 2cri s PHE 25 CO 0.38 -0.56 0.99 0.21 0.70 0.00 0.00 175.22 176.94 2cri s LYS 26 N 1.68 4.07 0.00 0.44 2.36 -1.26 0.22 119.74 127.25 2cri s LYS 26 Ca 0.03 0.99 0.00 0.00 -2.55 0.00 0.00 55.97 54.44 2cri s LYS 26 Cb -0.14 -3.72 0.00 0.00 -1.05 0.00 0.00 37.83 32.93 2cri s LYS 26 CO -0.08 -0.79 0.00 0.41 1.55 0.00 0.00 175.35 176.44 2cri n GLY 27 N 3.86 -3.01 2.59 5.54 0.00 -0.78 -4.47 105.19 108.92 2cri n GLY 27 Ca 0.10 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 2cri n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cri n PRO 28 N -0.05 -2.60 -0.01 1.61 -0.04 -1.26 -4.64 135.00 128.01 2cri n PRO 28 Ca 0.00 -1.29 0.09 0.00 -0.04 0.00 0.00 63.50 62.25 2cri n PRO 28 Cb 0.00 -1.21 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 2cri n PRO 28 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2cri n PHE 29 N -4.25 0.00 1.64 0.54 3.72 -1.26 -4.29 117.46 113.56 2cri n PHE 29 Ca 0.11 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 2cri n PHE 29 Cb 0.44 -0.29 0.07 0.00 -0.94 0.00 0.00 39.48 38.76 2cri n PHE 29 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2cri n THR 30 N -1.91 0.15 -3.98 4.37 5.66 -1.26 -2.35 114.28 114.95 2cri n THR 30 Ca -0.01 -0.15 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 2cri n THR 30 Cb 0.41 0.07 -0.06 0.00 -1.55 0.00 0.00 70.33 69.19 2cri n THR 30 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2cri s ASP 31 N -1.03 -0.05 0.15 1.09 2.15 -1.26 -4.89 116.67 112.84 2cri s ASP 31 Ca 0.09 -0.91 -0.34 0.00 0.43 0.00 0.00 52.55 51.82 2cri s ASP 31 Cb 0.05 0.52 -0.14 0.00 -0.30 0.00 0.00 42.92 43.04 2cri s ASP 31 CO 0.06 -1.03 1.54 0.52 -0.17 0.00 0.00 175.17 176.09 2cri n VAL 32 N -0.32 0.04 -4.06 1.11 0.31 -1.26 -4.14 118.33 110.01 2cri n VAL 32 Ca -0.04 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.07 2cri n VAL 32 Cb 0.63 -1.44 -0.03 0.00 -0.91 0.00 0.00 33.84 32.09 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 0.81 4.72 -0.15 2.52 1.01 -0.46 -4.87 120.40 123.99 2cri s VAL 33 Ca 0.79 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2cri s VAL 33 Cb -0.72 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.16 2cri s VAL 33 CO 0.39 -0.34 0.08 -0.89 0.00 0.00 0.00 175.10 174.35 2cri s THR 34 N -2.08 -0.08 -0.12 3.92 2.01 -1.26 -2.42 115.64 115.61 2cri s THR 34 Ca 0.33 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2cri s THR 34 Cb -0.08 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 71.94 2cri s THR 34 CO 0.26 -0.20 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.98 2cri s THR 35 N 2.14 1.31 -0.14 -0.82 2.01 -0.82 -4.67 115.64 114.65 2cri s THR 35 Ca 0.02 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 2cri s THR 35 Cb -0.15 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2cri s THR 35 CO -0.08 0.41 0.45 0.20 -0.69 0.00 0.00 174.62 174.91 2cri s ASN 36 N 1.35 6.61 -0.31 3.53 0.01 -1.26 -0.29 114.94 124.58 2cri s ASN 36 Ca -0.00 0.72 -0.07 0.00 -0.71 0.00 0.00 52.86 52.80 2cri s ASN 36 Cb -0.14 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.27 2cri s ASN 36 CO -0.06 -0.02 0.09 -0.22 -1.51 0.00 0.00 177.10 175.38 2cri s LEU 37 N 0.81 3.97 -0.01 0.60 0.20 0.29 -4.89 118.68 119.65 2cri s LEU 37 Ca 0.24 -0.77 -0.25 0.00 0.69 0.00 0.00 54.13 54.03 2cri s LEU 37 Cb -0.15 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 2cri s LEU 37 CO 0.09 -0.22 0.76 -0.54 -0.29 0.00 0.00 176.35 176.15 2cri s LYS 38 N 1.49 4.47 -0.28 1.98 1.02 0.88 -1.33 119.74 127.97 2cri s LYS 38 Ca 0.02 1.02 0.02 0.00 0.02 0.00 0.00 55.97 57.05 2cri s LYS 38 Cb -0.18 -3.42 0.08 0.00 -0.52 0.00 0.00 37.83 33.80 2cri s LYS 38 CO 0.03 0.14 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.07 2cri s LEU 39 N 0.49 3.41 0.19 3.17 1.43 -0.24 0.86 118.68 127.99 2cri s LEU 39 Ca 0.40 -1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 51.72 2cri s LEU 39 Cb -0.19 -1.35 -0.08 0.00 0.03 0.00 0.00 46.19 44.60 2cri s LEU 39 CO 0.21 -0.30 0.65 -1.58 0.23 0.00 0.00 176.35 175.57 2cri s GLN 40 N 1.21 4.14 -0.35 1.70 0.74 0.06 -2.04 119.66 125.11 2cri s GLN 40 Ca 0.01 0.72 0.03 0.00 0.05 0.00 0.00 55.36 56.16 2cri s GLN 40 Cb -0.19 -2.89 0.10 0.00 1.10 0.00 0.00 33.01 31.13 2cri s GLN 40 CO -0.09 0.42 0.09 1.21 -0.55 0.00 0.00 175.29 176.37 2cri s ASN 41 N -1.68 4.47 0.34 6.67 2.47 -0.96 -0.65 114.94 125.60 2cri s ASN 41 Ca 0.41 -2.09 0.13 0.00 0.42 0.00 0.00 52.86 51.73 2cri s ASN 41 Cb -0.16 -1.38 0.61 0.00 -1.45 0.00 0.00 41.25 38.87 2cri s ASN 41 CO 0.20 -0.37 1.75 1.55 -3.72 0.00 0.00 177.10 176.50 2cri h PRO 42 N 7.63 0.00 -7.21 0.43 0.13 -1.90 -1.73 132.00 129.35 2cri h PRO 42 Ca -0.07 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.60 2cri h PRO 42 Cb 1.00 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.33 2cri h PRO 42 CO 0.52 0.45 0.09 -1.54 -0.23 0.00 0.00 178.00 177.29 2cri s SER 43 N -6.80 1.70 -0.25 1.44 1.04 -1.26 -4.70 113.70 104.86 2cri s SER 43 Ca -0.02 1.59 0.12 0.00 0.48 0.00 0.00 55.95 58.11 2cri s SER 43 Cb 0.13 -2.28 0.50 0.00 0.10 0.00 0.00 66.02 64.47 2cri s SER 43 CO 0.73 -3.76 1.44 0.47 0.98 0.00 0.00 173.24 173.09 2cri n ASP 44 N -4.63 2.85 -3.92 7.02 8.00 -1.26 -2.71 116.55 121.90 2cri n ASP 44 Ca 0.05 -3.53 -0.10 0.00 0.71 0.00 0.00 54.79 51.92 2cri n ASP 44 Cb 0.54 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 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 -3.11 0.32 0.51 -1.24 1.70 -1.26 -4.84 118.95 111.03 2cri s ARG 45 Ca 0.43 -0.42 -0.20 0.00 -0.47 0.00 0.00 55.73 55.06 2cri s ARG 45 Cb 0.38 0.13 -0.09 0.00 -0.57 0.00 0.00 34.95 34.80 2cri s ARG 45 CO 0.02 -0.06 0.72 1.63 -1.08 0.00 0.00 175.30 176.53 2cri n LYS 46 N 1.80 0.78 -3.75 3.89 5.02 -1.26 -4.46 118.16 120.18 2cri n LYS 46 Ca -0.22 0.29 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 2cri n LYS 46 Cb 0.56 -1.82 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.53 -0.03 -0.00 -0.18 1.01 -1.25 -1.89 120.40 116.54 2cri s VAL 47 Ca 0.67 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.61 2cri s VAL 47 Cb -0.50 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 2cri s VAL 47 CO 0.54 0.04 0.39 0.00 0.00 0.00 0.00 175.10 176.07 2cri s PHE 49 N -1.10 1.41 -0.30 0.00 -0.12 -0.76 -0.42 117.98 116.69 2cri s PHE 49 Ca 0.24 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 2cri s PHE 49 Cb -0.16 -0.97 0.06 0.00 -0.63 0.00 0.00 43.02 41.33 2cri s PHE 49 CO 0.13 -0.14 -0.01 0.15 -0.05 0.00 0.00 175.22 175.30 2cri s LYS 50 N 0.11 2.25 -0.23 1.99 -0.14 0.68 -3.37 119.74 121.03 2cri s LYS 50 Ca -0.04 -1.39 -0.29 0.00 -1.36 0.00 0.00 55.97 52.89 2cri s LYS 50 Cb -0.10 -3.13 -0.00 0.00 -1.68 0.00 0.00 37.83 32.91 2cri s LYS 50 CO 0.01 -0.67 1.24 0.08 -0.76 0.00 0.00 175.35 175.25 2cri s VAL 51 N 1.16 4.30 -0.03 3.17 1.01 -1.18 -2.02 120.40 126.81 2cri s VAL 51 Ca -0.04 1.53 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 2cri s VAL 51 Cb -0.20 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.09 2cri s VAL 51 CO -0.03 -0.28 0.02 -0.54 0.00 0.00 0.00 175.10 174.27 2cri s LYS 52 N 3.70 0.17 0.28 2.72 1.02 -1.15 -4.97 119.74 121.51 2cri s LYS 52 Ca 0.53 0.14 0.05 0.00 0.02 0.00 0.00 55.97 56.72 2cri s LYS 52 Cb -0.19 -0.43 -0.06 0.00 -0.52 0.00 0.00 37.83 36.64 2cri s LYS 52 CO 0.16 -0.17 -0.03 -0.08 -0.92 0.00 0.00 175.35 174.32 2cri s THR 53 N 1.18 1.44 -0.80 2.17 -1.32 -1.26 -2.25 115.64 114.80 2cri s THR 53 Ca -0.08 -2.08 0.26 0.00 -1.21 0.00 0.00 61.69 58.58 2cri s THR 53 Cb -0.13 -2.49 0.26 0.00 -1.51 0.00 0.00 72.50 68.63 2cri s THR 53 CO -0.02 -0.25 1.80 0.35 -2.21 0.00 0.00 174.62 174.28 2cri n THR 54 N -0.57 0.46 -3.23 5.08 -2.24 -1.11 -4.00 114.28 108.67 2cri n THR 54 Ca -0.05 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 2cri n THR 54 Cb 0.64 -0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2cri n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cri n ALA 55 N -1.69 3.62 0.59 6.98 0.00 -1.26 -4.89 120.51 123.86 2cri n ALA 55 Ca 0.06 -4.30 0.07 0.00 0.00 0.00 0.00 53.44 49.27 2cri n ALA 55 Cb 0.37 -0.84 0.34 0.00 0.00 0.00 0.00 19.45 19.32 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 0.64 0.10 -0.01 0.00 -0.04 -1.26 -2.43 135.00 132.00 2cri n PRO 56 Ca 0.28 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 2cri n PRO 56 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 2cri n PRO 56 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2cri h ARG 57 N 0.00 0.04 -0.44 0.54 2.43 -1.94 -3.35 114.38 111.65 2cri h ARG 57 Ca 0.00 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 2cri h ARG 57 Cb 0.20 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.69 2cri h ARG 57 CO 0.00 0.63 0.08 0.54 -1.51 0.00 0.00 179.97 179.70 2cri n ARG 58 N -3.13 2.70 -3.76 0.20 1.74 -1.02 -4.93 116.66 108.46 2cri n ARG 58 Ca -0.17 -3.02 -0.14 0.00 -0.77 0.00 0.00 57.85 53.75 2cri n ARG 58 Cb 1.04 -1.94 -0.14 0.00 -1.02 0.00 0.00 32.46 30.40 2cri n ARG 58 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cri s TYR 59 N -3.04 -0.14 -0.43 -1.55 1.51 -1.05 -2.88 117.35 109.77 2cri s TYR 59 Ca 0.47 0.42 0.03 0.00 -1.01 0.00 0.00 57.07 56.98 2cri s TYR 59 Cb 0.39 -0.08 0.12 0.00 -0.11 0.00 0.00 41.96 42.28 2cri s TYR 59 CO 0.07 -0.14 0.17 0.00 -1.11 0.00 0.00 175.55 174.54 2cri s VAL 61 N 0.37 5.23 -0.21 0.00 1.01 -1.26 -1.10 120.40 124.45 2cri s VAL 61 Ca 0.15 0.69 -0.08 0.00 0.00 0.00 0.00 61.98 62.73 2cri s VAL 61 Cb -0.23 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.56 2cri s VAL 61 CO -0.05 0.43 0.46 -0.60 0.00 0.00 0.00 175.10 175.34 2cri s ARG 62 N 0.09 0.39 0.48 2.72 3.52 -0.31 -3.17 118.95 122.68 2cri s ARG 62 Ca 0.20 1.03 -0.22 0.00 -0.13 0.00 0.00 55.73 56.61 2cri s ARG 62 Cb -0.14 0.28 -0.07 0.00 -1.56 0.00 0.00 34.95 33.46 2cri s ARG 62 CO 0.07 -0.22 1.15 -1.25 -0.81 0.00 0.00 175.30 174.25 2cri s PRO 63 N 2.27 3.65 0.00 5.12 0.04 -1.26 -1.69 135.00 143.13 2cri s PRO 63 Ca -0.05 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.01 2cri s PRO 63 Cb -0.11 -2.29 1.56 0.00 0.04 0.00 0.00 34.50 33.70 2cri s PRO 63 CO -0.14 -0.63 2.04 0.27 0.04 0.00 0.00 177.00 178.58 2cri n ASN 64 N -0.71 0.00 -3.64 6.66 0.23 -1.19 -4.85 115.26 111.76 2cri n ASN 64 Ca 0.08 -0.38 0.00 0.00 -0.53 0.00 0.00 54.58 53.76 2cri n ASN 64 Cb 0.49 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 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 -2.39 -0.05 0.00 0.53 1.04 -1.26 -3.10 113.70 108.46 2cri s SER 65 Ca 0.33 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2cri s SER 65 Cb 0.20 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2cri s SER 65 CO 0.41 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2cri n GLY 66 N -0.61 -0.34 3.37 7.32 0.00 -1.22 -5.02 105.19 108.69 2cri n GLY 66 Ca -0.05 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.93 2.80 -0.44 -0.61 1.01 -1.26 -1.83 121.20 118.95 2cri s ILE 67 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 2cri s ILE 67 Cb 0.00 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.39 2cri s ILE 67 CO 0.00 0.56 0.39 -0.63 0.00 0.00 0.00 174.94 175.26 2cri s ILE 68 N -0.09 5.16 0.60 2.92 1.01 -0.64 -4.92 121.20 125.24 2cri s ILE 68 Ca -0.03 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 2cri s ILE 68 Cb -0.14 -4.04 -0.14 0.00 0.01 0.00 0.00 42.46 38.15 2cri s ILE 68 CO 0.04 -0.45 -0.11 0.47 0.00 0.00 0.00 174.94 174.89 2cri n ASP 69 N 5.40 -3.57 -4.67 3.58 9.92 -1.26 -3.89 116.55 122.07 2cri n ASP 69 Ca -0.10 0.59 -0.42 0.00 -0.53 0.00 0.00 54.79 54.33 2cri n ASP 69 Cb 0.46 -0.90 -0.03 0.00 -0.64 0.00 0.00 41.12 40.02 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 -1.38 4.23 -0.24 -0.24 0.04 -1.26 -3.12 135.00 133.03 2cri s PRO 70 Ca 0.56 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 2cri s PRO 70 Cb -0.44 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2cri s PRO 70 CO 0.67 -0.70 0.20 0.41 0.04 0.00 0.00 177.00 177.62 2cri n GLY 71 N 3.83 0.68 3.29 0.56 0.00 -0.65 -4.91 105.19 107.99 2cri n GLY 71 Ca 0.15 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.05 0.11 -0.03 1.61 0.01 -1.18 -4.98 113.70 106.19 2cri s SER 72 Ca 0.10 -0.98 0.07 0.00 1.31 0.00 0.00 55.95 56.46 2cri s SER 72 Cb -0.04 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 2cri s SER 72 CO 0.12 -0.85 -0.26 -0.63 0.41 0.00 0.00 173.24 172.03 2cri s ILE 73 N -4.00 2.05 -0.04 1.44 1.01 -1.26 -2.25 121.20 118.15 2cri s ILE 73 Ca 0.20 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.79 2cri s ILE 73 Cb 0.04 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 2cri s ILE 73 CO 0.01 0.58 -0.16 -0.69 0.00 0.00 0.00 174.94 174.68 2cri s VAL 74 N -0.47 2.95 -0.44 2.92 1.01 -0.87 -4.91 120.40 120.58 2cri s VAL 74 Ca 0.06 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 2cri s VAL 74 Cb -0.11 -2.14 0.10 0.00 0.00 0.00 0.00 36.38 34.23 2cri s VAL 74 CO 0.00 0.58 0.29 -0.89 0.00 0.00 0.00 175.10 175.09 2cri s THR 75 N -0.73 4.05 0.10 3.92 2.01 -1.26 -1.08 115.64 122.66 2cri s THR 75 Ca 0.11 -1.70 -0.22 0.00 0.31 0.00 0.00 61.69 60.19 2cri s THR 75 Cb -0.11 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 2cri s THR 75 CO 0.00 -0.67 0.65 -0.69 -0.69 0.00 0.00 174.62 173.22 2cri s VAL 76 N 1.34 4.61 -0.42 3.82 1.01 -0.44 -4.85 120.40 125.47 2cri s VAL 76 Ca 0.05 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.25 2cri s VAL 76 Cb -0.25 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.17 2cri s VAL 76 CO -0.00 0.54 0.48 -0.44 0.00 0.00 0.00 175.10 175.67 2cri s SER 77 N -1.09 6.23 -0.62 3.32 0.01 -0.68 -0.55 113.70 120.32 2cri s SER 77 Ca 0.31 -0.55 -0.06 0.00 1.31 0.00 0.00 55.95 56.97 2cri s SER 77 Cb -0.21 -2.24 0.16 0.00 0.21 0.00 0.00 66.02 63.94 2cri s SER 77 CO 0.22 -0.60 0.46 -0.69 0.41 0.00 0.00 173.24 173.03 2cri s VAL 78 N 2.28 4.08 -0.03 3.43 1.01 0.60 -1.16 120.40 130.61 2cri s VAL 78 Ca 0.15 -2.62 -0.26 0.00 0.00 0.00 0.00 61.98 59.25 2cri s VAL 78 Cb -0.16 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2cri s VAL 78 CO 0.15 -0.87 0.81 -0.04 0.00 0.00 0.00 175.10 175.14 2cri s MET 79 N 0.29 4.49 -0.29 2.72 -1.94 -0.26 -1.94 119.30 122.37 2cri s MET 79 Ca 0.15 1.09 -0.10 0.00 -1.71 0.00 0.00 55.69 55.12 2cri s MET 79 Cb -0.20 -3.45 -0.02 0.00 2.01 0.00 0.00 34.83 33.17 2cri s MET 79 CO -0.04 0.04 0.14 -1.17 -0.01 0.00 0.00 175.02 173.98 2cri s LEU 80 N 0.81 3.92 0.48 -0.03 0.20 -1.02 -0.18 118.68 122.86 2cri s LEU 80 Ca 0.43 -0.30 -0.24 0.00 0.69 0.00 0.00 54.13 54.71 2cri s LEU 80 Cb -0.19 -2.02 -0.08 0.00 -0.43 0.00 0.00 46.19 43.48 2cri s LEU 80 CO 0.22 -0.11 1.41 0.00 -0.29 0.00 0.00 176.35 177.57 2cri n GLN 81 N 4.99 2.09 -2.14 1.98 3.00 -1.14 -1.35 117.38 124.81 2cri n GLN 81 Ca -0.14 0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 57.17 2cri n GLN 81 Cb 0.51 -2.61 -0.03 0.00 0.00 0.00 0.00 30.24 28.11 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 -2.55 4.18 0.13 -1.09 0.04 -1.26 -4.87 135.00 129.58 2cri s PRO 82 Ca 0.64 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.65 2cri s PRO 82 Cb -0.44 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.14 2cri s PRO 82 CO 0.55 -0.82 0.09 -0.59 0.04 0.00 0.00 177.00 176.27 2cri s PHE 83 N 3.92 0.76 -0.72 0.56 -0.71 -0.99 -4.90 117.98 115.89 2cri s PHE 83 Ca 0.67 -1.14 -0.26 0.00 -1.04 0.00 0.00 56.93 55.17 2cri s PHE 83 Cb -0.29 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.08 2cri s PHE 83 CO 0.25 -0.54 1.94 -0.51 -1.34 0.00 0.00 175.22 175.02 2cri s ASP 84 N -3.03 5.12 0.19 1.98 1.01 -1.26 -4.51 116.67 116.18 2cri s ASP 84 Ca 0.22 -0.03 -0.28 0.00 0.71 0.00 0.00 52.55 53.17 2cri s ASP 84 Cb 0.07 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 2cri s ASP 84 CO 0.01 -2.60 0.86 -0.47 0.21 0.00 0.00 175.17 173.17 2cri s TYR 85 N 9.85 3.93 -0.08 4.23 6.14 -1.26 -5.06 117.35 135.10 2cri s TYR 85 Ca 0.71 1.76 0.00 0.00 0.64 0.00 0.00 57.07 60.18 2cri s TYR 85 Cb -0.11 -2.88 -0.03 0.00 0.42 0.00 0.00 41.96 39.37 2cri s TYR 85 CO 0.12 0.46 -0.07 0.34 0.64 0.00 0.00 175.55 177.05 2cri s ASP 86 N -1.03 4.66 0.49 4.32 -1.08 -1.26 -5.01 116.67 117.76 2cri s ASP 86 Ca 0.39 -0.03 0.28 0.00 -0.52 0.00 0.00 52.55 52.66 2cri s ASP 86 Cb -0.24 -1.25 1.18 0.00 -1.46 0.00 0.00 42.92 41.15 2cri s ASP 86 CO 0.29 0.34 1.93 1.55 0.52 0.00 0.00 175.17 179.79 2cri h PRO 87 N 5.42 0.00 -0.77 4.34 0.13 -2.04 -2.95 132.00 136.14 2cri h PRO 87 Ca -0.46 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.18 2cri h PRO 87 Cb 1.18 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 2cri h PRO 87 CO 0.53 0.13 0.21 0.27 -0.23 0.00 0.00 178.00 178.91 2cri n ASN 88 N -3.33 4.95 -4.77 1.44 6.94 -1.26 -5.03 115.26 114.21 2cri n ASN 88 Ca -0.00 -3.75 -0.35 0.00 -0.02 0.00 0.00 54.58 50.46 2cri n ASN 88 Cb 0.35 -0.72 0.02 0.00 -2.36 0.00 0.00 39.78 37.07 2cri n ASN 88 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2cri s GLU 89 N -3.53 3.11 0.27 -3.83 0.41 -1.12 -5.03 118.70 108.98 2cri s GLU 89 Ca 0.55 1.57 -0.03 0.00 -0.41 0.00 0.00 54.97 56.65 2cri s GLU 89 Cb 0.46 -1.97 -0.05 0.00 -1.78 0.00 0.00 34.13 30.78 2cri s GLU 89 CO 0.02 -1.04 0.51 0.15 -0.49 0.00 0.00 175.26 174.41 2cri s LYS 90 N -3.55 3.59 -1.38 1.61 -0.14 -1.26 -4.99 119.74 113.61 2cri s LYS 90 Ca 0.72 -0.12 -0.15 0.00 -1.36 0.00 0.00 55.97 55.06 2cri s LYS 90 Cb -0.24 -2.70 0.01 0.00 -1.68 0.00 0.00 37.83 33.23 2cri s LYS 90 CO 0.32 0.26 2.22 0.43 -0.76 0.00 0.00 175.35 177.82 2cri n SER 91 N -0.95 3.91 -0.05 2.83 7.64 -1.26 -4.51 113.62 121.23 2cri n SER 91 Ca -0.03 -2.81 -0.05 0.00 1.01 0.00 0.00 58.87 56.99 2cri n SER 91 Cb 0.54 -1.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.13 2cri n SER 91 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cri n LYS 92 N 6.09 0.29 -1.15 1.43 4.76 -1.26 -5.00 118.16 123.33 2cri n LYS 92 Ca 0.53 0.12 -0.36 0.00 -2.87 0.00 0.00 58.31 55.72 2cri n LYS 92 Cb 0.38 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 2cri n LYS 92 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2cri n HIS 93 N -3.58 -2.23 -3.68 2.13 8.25 -1.26 -4.99 115.22 109.86 2cri n HIS 93 Ca -0.08 0.49 -0.14 0.00 -0.26 0.00 0.00 57.72 57.74 2cri n HIS 93 Cb 0.29 -1.56 -0.07 0.00 1.12 0.00 0.00 29.99 29.77 2cri n HIS 93 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2cri s LYS 94 N -0.90 0.85 -0.22 -0.41 2.20 -1.26 -4.77 119.74 115.23 2cri s LYS 94 Ca 0.52 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.94 2cri s LYS 94 Cb -0.51 0.38 0.05 0.00 -1.51 0.00 0.00 37.83 36.24 2cri s LYS 94 CO 0.58 -0.27 -0.10 0.12 -0.36 0.00 0.00 175.35 175.32 2cri s PHE 95 N -1.89 2.67 -0.23 4.03 5.36 0.75 -2.77 117.98 125.90 2cri s PHE 95 Ca -0.09 -1.83 -0.04 0.00 -0.96 0.00 0.00 56.93 54.00 2cri s PHE 95 Cb -0.02 -1.72 -0.01 0.00 -0.34 0.00 0.00 43.02 40.93 2cri s PHE 95 CO 0.02 -0.79 -0.02 -1.64 -1.46 0.00 0.00 175.22 171.33 2cri s MET 96 N 1.31 3.37 -0.20 10.12 -1.94 -0.96 -0.98 119.30 130.03 2cri s MET 96 Ca -0.04 -0.64 -0.07 0.00 -1.71 0.00 0.00 55.69 53.24 2cri s MET 96 Cb -0.18 -3.08 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 2cri s MET 96 CO -0.07 -0.22 0.05 0.08 -0.01 0.00 0.00 175.02 174.84 2cri s VAL 97 N 1.49 4.46 -0.09 -6.03 1.01 -1.10 -2.93 120.40 117.21 2cri s VAL 97 Ca 0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 2cri s VAL 97 Cb -0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2cri s VAL 97 CO -0.02 0.42 0.19 -1.58 0.00 0.00 0.00 175.10 174.12 2cri s GLN 98 N 0.79 3.53 -0.03 2.72 0.74 -0.86 -1.62 119.66 124.93 2cri s GLN 98 Ca 0.03 -0.04 -0.03 0.00 0.05 0.00 0.00 55.36 55.37 2cri s GLN 98 Cb -0.14 -3.19 0.01 0.00 1.10 0.00 0.00 33.01 30.79 2cri s GLN 98 CO 0.02 0.76 0.08 0.95 -0.55 0.00 0.00 175.29 176.55 2cri s THR 99 N -1.05 -0.00 -0.23 -0.34 -4.23 0.65 -0.23 115.64 110.20 2cri s THR 99 Ca 0.17 0.02 -0.19 0.00 -1.18 0.00 0.00 61.69 60.51 2cri s THR 99 Cb -0.13 -0.12 0.06 0.00 1.34 0.00 0.00 72.50 73.65 2cri s THR 99 CO 0.06 0.01 0.61 -0.51 -0.54 0.00 0.00 174.62 174.25 2cri s ILE 100 N 0.13 -0.00 0.83 2.99 2.07 0.44 -2.76 121.20 124.90 2cri s ILE 100 Ca -0.01 0.01 -0.14 0.00 -1.41 0.00 0.00 60.65 59.10 2cri s ILE 100 Cb -0.01 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.72 2cri s ILE 100 CO -0.00 0.00 0.52 0.49 -1.91 0.00 0.00 174.94 174.04 2cri n PHE 101 N 3.21 -0.94 -4.35 3.50 3.01 -1.26 0.17 117.46 120.80 2cri n PHE 101 Ca -0.16 0.30 -0.34 0.00 1.01 0.00 0.00 57.45 58.26 2cri n PHE 101 Cb 0.56 -1.87 -0.09 0.00 -0.01 0.00 0.00 39.48 38.07 2cri n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cri s ALA 102 N -2.13 3.28 0.97 4.37 0.00 -0.79 -4.53 121.76 122.92 2cri s ALA 102 Ca 0.62 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2cri s ALA 102 Cb -0.28 -1.43 0.17 0.00 0.00 0.00 0.00 23.12 21.58 2cri s ALA 102 CO 0.62 0.61 1.09 -1.25 0.00 0.00 0.00 175.76 176.83 2cri s PRO 103 N -1.11 0.67 0.45 0.00 0.04 -1.26 -4.81 135.00 128.98 2cri s PRO 103 Ca 0.15 0.61 0.24 0.00 0.04 0.00 0.00 61.00 62.04 2cri s PRO 103 Cb -0.11 -1.76 1.02 0.00 0.04 0.00 0.00 34.50 33.69 2cri s PRO 103 CO 0.05 -2.59 1.88 -1.00 0.04 0.00 0.00 177.00 175.37 2cri h PRO 104 N -1.80 0.00 -0.25 0.56 0.13 -2.01 -2.90 132.00 125.73 2cri h PRO 104 Ca -0.53 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 2cri h PRO 104 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 2cri h PRO 104 CO 0.57 0.22 -0.04 0.27 -0.23 0.00 0.00 178.00 178.79 2cri n ASN 105 N -3.49 3.09 -4.52 1.44 6.94 -1.26 -5.00 115.26 112.46 2cri n ASN 105 Ca -0.00 -3.34 -0.33 0.00 -0.02 0.00 0.00 54.58 50.88 2cri n ASN 105 Cb 0.39 -0.56 -0.12 0.00 -2.36 0.00 0.00 39.78 37.12 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2cri n ILE 106 N -0.89 -0.02 -0.02 1.53 0.13 -1.10 -4.66 119.36 114.33 2cri n ILE 106 Ca 0.25 -0.36 -0.06 0.00 -1.10 0.00 0.00 62.75 61.48 2cri n ILE 106 Cb 0.91 -1.20 -0.02 0.00 -0.84 0.00 0.00 39.64 38.49 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 11.99 1.31 -4.48 9.51 7.64 -1.26 -4.97 113.62 133.36 2cri n SER 107 Ca 0.57 0.20 -0.39 0.00 1.01 0.00 0.00 58.87 60.25 2cri n SER 107 Cb 0.23 -0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 2cri n SER 107 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cri s ASP 108 N -5.98 5.79 -0.01 6.43 2.15 -1.26 -4.98 116.67 118.81 2cri s ASP 108 Ca -0.13 -0.49 -0.26 0.00 0.43 0.00 0.00 52.55 52.11 2cri s ASP 108 Cb 0.03 -2.07 -0.20 0.00 -0.30 0.00 0.00 42.92 40.39 2cri s ASP 108 CO 0.18 -0.22 1.33 0.24 -0.17 0.00 0.00 175.17 176.54 2cri h MET 109 N 8.42 0.00 -1.00 4.34 2.86 -2.00 -2.74 114.93 124.81 2cri h MET 109 Ca -0.32 -0.00 0.29 0.00 -2.06 0.00 0.00 59.70 57.61 2cri h MET 109 Cb 1.15 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.77 2cri h MET 109 CO 0.62 0.42 0.75 1.05 1.06 0.00 0.00 176.91 180.82 2cri h GLU 110 N -0.42 0.00 0.13 1.72 4.11 -2.00 0.45 114.58 118.58 2cri h GLU 110 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 2cri h GLU 110 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2cri h GLU 110 CO 0.00 0.00 -1.23 0.00 0.07 0.00 0.00 179.01 177.85 2cri h ALA 111 N 1.43 0.09 0.63 1.06 0.00 -1.95 -3.04 119.26 117.48 2cri h ALA 111 Ca 0.47 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2cri h ALA 111 Cb 1.97 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.81 2cri h ALA 111 CO -0.00 0.88 -0.30 0.28 0.00 0.00 0.00 179.25 180.10 2cri h VAL 112 N 0.13 0.00 -0.70 0.00 2.07 0.15 -0.58 116.25 117.32 2cri h VAL 112 Ca -0.15 -0.31 0.19 0.00 0.82 0.00 0.00 66.70 67.25 2cri h VAL 112 Cb 1.94 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2cri h VAL 112 CO 0.21 0.00 0.49 -0.50 0.02 0.00 0.00 177.57 177.80 2cri h TRP 113 N -1.15 0.09 0.21 1.57 4.06 -1.43 0.21 115.95 119.50 2cri h TRP 113 Ca -0.09 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 2cri h TRP 113 Cb 0.64 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.78 2cri h TRP 113 CO 0.01 0.03 -0.10 0.87 -3.56 0.00 0.00 178.44 175.69 2cri h LYS 114 N 0.07 -0.27 -0.73 0.49 1.57 -1.45 -3.28 116.57 112.97 2cri h LYS 114 Ca 0.34 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.14 2cri h LYS 114 Cb 1.23 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 2cri h LYS 114 CO -0.03 0.10 0.48 0.93 -0.57 0.00 0.00 179.45 180.37 2cri h GLU 115 N -0.91 0.96 -6.41 3.15 5.08 -0.39 -3.43 114.58 112.62 2cri h GLU 115 Ca -0.03 -0.06 -0.62 0.00 -1.00 0.00 0.00 59.36 57.65 2cri h GLU 115 Cb 0.49 -0.22 0.06 0.00 0.50 0.00 0.00 28.75 29.59 2cri h GLU 115 CO 0.05 0.63 0.64 0.00 -1.00 0.00 0.00 179.01 179.32 2cri n ALA 116 N -2.42 0.38 -2.37 3.43 0.00 0.67 -4.96 120.51 115.24 2cri n ALA 116 Ca 0.08 0.47 -0.30 0.00 0.00 0.00 0.00 53.44 53.69 2cri n ALA 116 Cb 0.03 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.22 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 0.62 3.74 0.00 0.00 -0.14 -1.26 -4.96 119.74 117.74 2cri s LYS 117 Ca 0.80 0.25 0.15 0.00 -1.36 0.00 0.00 55.97 55.82 2cri s LYS 117 Cb -0.79 -2.55 0.82 0.00 -1.68 0.00 0.00 37.83 33.62 2cri s LYS 117 CO 0.42 0.16 1.38 -0.35 -0.76 0.00 0.00 175.35 176.20 2cri n PRO 118 N -0.83 0.32 0.00 -1.68 -0.04 -1.26 -1.49 135.00 130.02 2cri n PRO 118 Ca 0.00 0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 2cri n PRO 118 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2cri n PRO 118 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2cri n ASP 119 N -1.18 0.83 -0.02 3.54 8.00 -1.26 -4.36 116.55 122.10 2cri n ASP 119 Ca 0.09 -0.77 -0.01 0.00 0.71 0.00 0.00 54.79 54.81 2cri n ASP 119 Cb 0.09 0.94 -0.04 0.00 -0.02 0.00 0.00 41.12 42.09 2cri n ASP 119 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2cri n GLU 120 N -1.58 2.12 -1.93 -1.24 1.02 -0.78 -5.00 120.64 113.25 2cri n GLU 120 Ca 0.04 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 2cri n GLU 120 Cb 0.35 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 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 -4.05 4.37 -0.10 -4.62 1.43 -0.56 -4.98 118.68 110.16 2cri s LEU 121 Ca -0.02 2.50 -0.15 0.00 -1.03 0.00 0.00 54.13 55.43 2cri s LEU 121 Cb 0.02 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 2cri s LEU 121 CO 0.23 -0.88 0.36 -0.04 0.23 0.00 0.00 176.35 176.24 2cri s MET 122 N 2.50 4.13 0.31 1.70 -1.94 -1.11 -4.96 119.30 119.93 2cri s MET 122 Ca 0.74 0.26 0.04 0.00 -1.71 0.00 0.00 55.69 55.02 2cri s MET 122 Cb -0.40 -3.35 -0.06 0.00 2.01 0.00 0.00 34.83 33.02 2cri s MET 122 CO 0.32 0.38 0.03 -0.51 -0.01 0.00 0.00 175.02 175.24 2cri s ASP 123 N -0.04 2.46 -0.01 3.03 1.11 -1.26 -0.26 116.67 121.70 2cri s ASP 123 Ca 0.21 -1.34 0.00 0.00 0.18 0.00 0.00 52.55 51.60 2cri s ASP 123 Cb -0.14 -0.10 0.01 0.00 1.07 0.00 0.00 42.92 43.76 2cri s ASP 123 CO 0.08 -0.55 0.01 -0.55 1.18 0.00 0.00 175.17 175.34 2cri s SER 124 N -3.48 0.06 -0.41 0.27 0.15 -0.64 -4.84 113.70 104.82 2cri s SER 124 Ca 0.35 0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.79 2cri s SER 124 Cb 0.08 -0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.36 2cri s SER 124 CO 0.15 -0.06 0.71 -0.54 1.20 0.00 0.00 173.24 174.70 2cri s LYS 125 N 0.53 3.49 0.09 5.44 1.02 -1.26 -2.70 119.74 126.34 2cri s LYS 125 Ca -0.04 -0.07 0.07 0.00 0.02 0.00 0.00 55.97 55.94 2cri s LYS 125 Cb -0.07 -3.89 -0.03 0.00 -0.52 0.00 0.00 37.83 33.32 2cri s LYS 125 CO -0.01 -0.96 -0.17 -1.17 -0.92 0.00 0.00 175.35 172.11 2cri s LEU 126 N 3.01 2.28 -0.05 3.17 0.20 -0.15 -5.04 118.68 122.11 2cri s LEU 126 Ca 0.27 -0.65 0.06 0.00 0.69 0.00 0.00 54.13 54.51 2cri s LEU 126 Cb -0.13 -0.70 -0.01 0.00 -0.43 0.00 0.00 46.19 44.91 2cri s LEU 126 CO 0.19 -0.01 -0.25 0.00 -0.29 0.00 0.00 176.35 176.00 2cri s ARG 127 N -1.80 2.42 -0.28 1.98 3.03 -1.26 -0.18 118.95 122.86 2cri s ARG 127 Ca 0.02 -0.90 -0.17 0.00 2.03 0.00 0.00 55.73 56.72 2cri s ARG 127 Cb -0.10 -2.14 -0.03 0.00 -1.03 0.00 0.00 34.95 31.65 2cri s ARG 127 CO 0.03 0.45 0.46 0.00 -1.13 0.00 0.00 175.30 175.11 2cri s VAL 129 N 2.22 5.27 -0.37 0.00 1.01 -0.76 -5.00 120.40 122.78 2cri s VAL 129 Ca 0.18 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 2cri s VAL 129 Cb -0.16 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2cri s VAL 129 CO 0.10 0.32 0.69 -0.36 0.00 0.00 0.00 175.10 175.85 2cri s PHE 130 N 1.28 3.13 0.38 5.22 0.40 -1.26 0.46 117.98 127.59 2cri s PHE 130 Ca 0.07 0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.85 2cri s PHE 130 Cb -0.14 -3.25 -0.02 0.00 0.51 0.00 0.00 43.02 40.11 2cri s PHE 130 CO 0.06 -0.69 0.36 -1.21 0.70 0.00 0.00 175.22 174.44 2cri s GLU 131 N 2.86 2.67 0.04 0.44 0.41 0.13 -4.92 118.70 120.33 2cri s GLU 131 Ca 0.27 -1.38 0.03 0.00 -0.41 0.00 0.00 54.97 53.47 2cri s GLU 131 Cb -0.14 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.70 2cri s GLU 131 CO 0.16 -0.06 0.01 -1.64 -0.49 0.00 0.00 175.26 173.24 2cri s MET 132 N -4.09 2.71 0.48 1.61 -1.94 -1.26 -1.87 119.30 114.95 2cri s MET 132 Ca 0.45 -0.70 0.27 0.00 -1.71 0.00 0.00 55.69 54.00 2cri s MET 132 Cb -0.05 -2.63 1.14 0.00 2.01 0.00 0.00 34.83 35.30 2cri s MET 132 CO 0.28 0.59 1.92 -1.00 -0.01 0.00 0.00 175.02 176.79 2cri h PRO 133 N 3.89 0.00 -5.17 2.03 0.13 -1.92 -3.43 132.00 127.53 2cri h PRO 133 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2cri h PRO 133 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2cri h PRO 133 CO 0.59 0.16 0.65 0.09 -0.23 0.00 0.00 178.00 179.26 2cri n ASN 134 N -3.37 0.47 -4.83 1.44 4.13 -1.26 -4.88 115.26 106.95 2cri n ASN 134 Ca -0.00 -1.40 -0.29 0.00 1.68 0.00 0.00 54.58 54.57 2cri n ASN 134 Cb 0.36 -1.27 0.11 0.00 -1.54 0.00 0.00 39.78 37.44 2cri n ASN 134 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2cri s GLU 135 N 7.97 1.69 -0.09 3.52 1.03 -1.26 -5.03 118.70 126.53 2cri s GLU 135 Ca 0.93 0.33 -0.02 0.00 0.03 0.00 0.00 54.97 56.23 2cri s GLU 135 Cb -0.30 -1.90 -0.05 0.00 -0.80 0.00 0.00 34.13 31.08 2cri s GLU 135 CO 0.22 -1.82 -0.10 -1.71 -1.33 0.00 0.00 175.26 170.52 2cri n ASN 136 N -3.52 1.98 -3.61 0.83 5.15 -1.26 -5.02 115.26 109.81 2cri n ASN 136 Ca 0.07 0.03 -0.16 0.00 -0.60 0.00 0.00 54.58 53.92 2cri n ASN 136 Cb 0.59 -0.20 -0.14 0.00 -0.53 0.00 0.00 39.78 39.50 2cri n ASN 136 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2cri s ASP 137 N -5.34 0.79 0.24 1.20 1.11 -1.26 -5.13 116.67 108.29 2cri s ASP 137 Ca -0.12 0.26 -0.26 0.00 0.18 0.00 0.00 52.55 52.61 2cri s ASP 137 Cb 0.04 0.46 -0.16 0.00 1.07 0.00 0.00 42.92 44.32 2cri s ASP 137 CO 0.18 -0.27 0.42 1.17 1.18 0.00 0.00 175.17 177.85 2cri n LYS 138 N 5.33 0.00 -4.98 8.23 4.81 -1.26 -4.96 118.16 125.33 2cri n LYS 138 Ca -0.05 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.10 2cri n LYS 138 Cb 0.50 -0.98 -0.17 0.00 0.02 0.00 0.00 35.03 34.40 2cri n LYS 138 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2cri s LEU 139 N 3.22 1.93 0.00 3.14 0.20 -1.26 -4.99 118.68 120.92 2cri s LEU 139 Ca 0.62 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.98 2cri s LEU 139 Cb -0.85 -1.18 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 2cri s LEU 139 CO 0.56 0.13 0.00 -3.20 -0.29 0.00 0.00 176.35 173.55 2cri n ASN 140 N 3.52 3.29 -3.56 3.68 2.85 -1.26 -5.12 115.26 118.66 2cri n ASN 140 Ca -0.20 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.17 2cri n ASN 140 Cb 0.52 0.05 -0.02 0.00 1.24 0.00 0.00 39.78 41.57 2cri n ASN 140 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2cri s ASP 141 N -3.65 -0.46 -0.40 1.20 2.15 -1.26 -5.04 116.67 109.20 2cri s ASP 141 Ca 0.00 -0.20 0.01 0.00 0.43 0.00 0.00 52.55 52.79 2cri s ASP 141 Cb 0.00 0.63 0.40 0.00 -0.30 0.00 0.00 42.92 43.65 2cri s ASP 141 CO 0.00 -1.08 1.84 -1.20 -0.17 0.00 0.00 175.17 174.57 2cri n SER 142 N -0.40 5.30 0.00 -0.34 7.64 -1.26 -4.80 113.62 119.76 2cri n SER 142 Ca -0.13 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.48 2cri n SER 142 Cb 0.63 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2cri n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cri n GLY 143 N -0.45 -2.00 3.74 0.23 0.00 -1.26 -5.16 105.19 100.30 2cri n GLY 143 Ca 0.44 0.81 -0.30 0.00 0.00 0.00 0.00 46.02 46.96 2cri n GLY 143 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cri s PRO 144 N 0.57 1.75 -0.13 1.61 0.04 -1.26 -5.00 135.00 132.57 2cri s PRO 144 Ca 0.00 0.99 -0.05 0.00 0.04 0.00 0.00 61.00 61.98 2cri s PRO 144 Cb 0.00 -1.85 -0.25 0.00 0.04 0.00 0.00 34.50 32.44 2cri s PRO 144 CO 0.00 -1.95 0.31 0.43 0.04 0.00 0.00 177.00 175.83 2cri n SER 145 N -3.71 2.08 -4.25 6.66 7.64 -1.26 -4.49 113.62 116.29 2cri n SER 145 Ca 0.08 0.18 -0.35 0.00 1.01 0.00 0.00 58.87 59.78 2cri n SER 145 Cb 0.54 -0.79 0.07 0.00 -1.01 0.00 0.00 64.21 63.02 2cri n SER 145 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cri n SER 146 N -3.45 -3.58 0.00 6.43 3.41 -1.26 -4.91 113.62 110.26 2cri n SER 146 Ca -0.33 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2cri n SER 146 Cb 1.04 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2cri n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49