#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 4.31 0.04 1.61 0.01 -1.26 -5.10 113.70 113.31 2cri s SER 2 Ca 0.00 -0.87 0.07 0.00 1.31 0.00 0.00 55.95 56.46 2cri s SER 2 Cb 0.00 -1.66 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 2cri s SER 2 CO 0.00 -0.13 -0.21 -0.55 0.41 0.00 0.00 173.24 172.76 2cri s SER 3 N 1.32 2.52 0.00 2.44 0.15 -1.26 -5.13 113.70 113.74 2cri s SER 3 Ca 0.00 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2cri s SER 3 Cb -0.17 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2cri s SER 3 CO -0.04 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2cri n GLY 4 N 1.93 5.36 1.79 9.45 0.00 -1.26 -5.01 105.19 117.44 2cri n GLY 4 Ca -0.17 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 2cri n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cri n SER 5 N 0.00 5.87 -4.79 1.61 2.88 -1.26 -4.90 113.62 113.03 2cri n SER 5 Ca 0.00 -2.74 -0.39 0.00 -1.33 0.00 0.00 58.87 54.41 2cri n SER 5 Cb 0.00 -1.14 -0.06 0.00 -0.75 0.00 0.00 64.21 62.26 2cri n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cri s SER 6 N 1.15 7.00 -0.04 -3.46 1.04 -1.26 -4.71 113.70 113.42 2cri s SER 6 Ca 0.24 1.18 -0.00 0.00 0.48 0.00 0.00 55.95 57.85 2cri s SER 6 Cb 0.16 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2cri s SER 6 CO -0.02 0.19 0.01 0.61 0.98 0.00 0.00 173.24 175.01 2cri n GLY 7 N 2.09 -3.06 3.58 7.32 0.00 -1.26 -4.90 105.19 108.96 2cri n GLY 7 Ca -0.09 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.35 3.05 -0.22 1.61 1.00 -1.26 -4.94 119.30 118.20 2cri s MET 8 Ca -0.01 1.02 -0.29 0.00 0.00 0.00 0.00 55.69 56.41 2cri s MET 8 Cb 0.00 -4.26 -0.03 0.00 0.00 0.00 0.00 34.83 30.54 2cri s MET 8 CO 0.10 -2.21 1.58 0.00 0.00 0.00 0.00 175.02 174.50 2cri s ALA 9 N 7.69 3.31 -0.23 3.03 0.00 -1.26 -4.99 121.76 129.32 2cri s ALA 9 Ca 0.72 0.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 2cri s ALA 9 Cb -0.17 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 2cri s ALA 9 CO 0.28 -1.88 0.12 0.15 0.00 0.00 0.00 175.76 174.42 2cri s LYS 10 N 4.57 3.97 -0.70 0.00 -0.14 -1.26 -5.05 119.74 121.13 2cri s LYS 10 Ca 0.70 -0.33 -0.24 0.00 -1.36 0.00 0.00 55.97 54.74 2cri s LYS 10 Cb -0.25 -3.41 0.06 0.00 -1.68 0.00 0.00 37.83 32.55 2cri s LYS 10 CO 0.28 0.07 1.08 -1.01 -0.76 0.00 0.00 175.35 175.01 2cri s HIS 11 N 0.98 2.55 -1.57 3.18 3.76 -1.26 -4.85 115.29 118.08 2cri s HIS 11 Ca 0.06 -0.40 0.10 0.00 -0.15 0.00 0.00 55.06 54.66 2cri s HIS 11 Cb -0.14 -4.41 0.34 0.00 1.11 0.00 0.00 32.58 29.49 2cri s HIS 11 CO 0.03 -1.79 1.22 0.39 -0.85 0.00 0.00 174.74 173.74 2cri n GLU 12 N 8.26 2.17 -4.35 1.40 -0.58 -1.26 -4.86 120.64 121.41 2cri n GLU 12 Ca -0.01 -1.37 -0.25 0.00 -0.42 0.00 0.00 57.16 55.11 2cri n GLU 12 Cb 0.47 -1.46 -0.12 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.62 1.29 0.17 3.49 0.00 -1.26 -4.32 119.66 117.42 2cri s GLN 13 Ca 0.25 -1.32 0.10 0.00 -0.00 0.00 0.00 55.36 54.39 2cri s GLN 13 Cb 0.15 -1.59 -0.11 0.00 0.00 0.00 0.00 33.01 31.46 2cri s GLN 13 CO 0.14 0.36 1.32 0.97 0.00 0.00 0.00 175.29 178.07 2cri h ILE 14 N 3.71 1.35 -3.38 3.63 6.09 -1.92 -3.45 117.51 123.56 2cri h ILE 14 Ca -0.47 -2.93 -0.56 0.00 -1.37 0.00 0.00 64.86 59.54 2cri h ILE 14 Cb 1.19 2.67 -0.05 0.00 0.47 0.00 0.00 36.82 41.10 2cri h ILE 14 CO 0.43 0.77 0.10 -0.76 -3.07 0.00 0.00 178.15 175.62 2cri s LEU 15 N -6.58 4.38 -0.71 2.19 1.43 -1.26 -4.54 118.68 113.59 2cri s LEU 15 Ca 0.02 1.29 -0.24 0.00 -1.03 0.00 0.00 54.13 54.17 2cri s LEU 15 Cb 0.09 -3.12 0.06 0.00 0.03 0.00 0.00 46.19 43.25 2cri s LEU 15 CO 0.79 -0.03 1.09 -0.69 0.23 0.00 0.00 176.35 177.75 2cri s VAL 16 N 0.31 4.12 0.48 -1.59 1.01 -0.76 -4.96 120.40 119.00 2cri s VAL 16 Ca 0.37 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 2cri s VAL 16 Cb -0.19 -4.78 -0.08 0.00 0.00 0.00 0.00 36.38 31.33 2cri s VAL 16 CO 0.20 -1.61 1.06 -0.76 0.00 0.00 0.00 175.10 173.98 2cri s LEU 17 N 4.62 3.88 -0.08 3.92 1.02 -1.26 -1.66 118.68 129.12 2cri s LEU 17 Ca 0.28 1.99 -0.03 0.00 0.02 0.00 0.00 54.13 56.38 2cri s LEU 17 Cb -0.13 -4.50 0.05 0.00 0.02 0.00 0.00 46.19 41.63 2cri s LEU 17 CO 0.11 -0.80 0.13 -0.62 0.02 0.00 0.00 176.35 175.19 2cri s ASP 18 N -1.87 0.97 0.25 2.29 2.15 0.23 -0.97 116.67 119.71 2cri s ASP 18 Ca 0.66 0.19 -0.30 0.00 0.43 0.00 0.00 52.55 53.54 2cri s ASP 18 Cb -0.18 0.15 -0.09 0.00 -0.30 0.00 0.00 42.92 42.49 2cri s ASP 18 CO 0.22 -0.26 1.27 -2.16 -0.17 0.00 0.00 175.17 174.07 2cri s PRO 19 N 2.26 4.43 0.31 4.34 0.04 -1.26 -1.72 135.00 143.39 2cri s PRO 19 Ca 0.04 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.22 2cri s PRO 19 Cb -0.12 -3.16 0.49 0.00 0.04 0.00 0.00 34.50 31.75 2cri s PRO 19 CO -0.06 -0.15 1.70 -1.00 0.04 0.00 0.00 177.00 177.54 2cri h PRO 20 N 4.53 0.10 0.00 0.56 0.13 -1.43 -3.37 132.00 132.51 2cri h PRO 20 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.72 0.55 0.00 0.43 -0.23 0.00 0.00 178.00 179.47 2cri n SER 21 N -3.97 0.00 -3.90 1.44 7.64 -1.26 -4.94 113.62 108.63 2cri n SER 21 Ca -0.02 0.35 -0.11 0.00 1.01 0.00 0.00 58.87 60.11 2cri n SER 21 Cb 0.51 -0.29 -0.10 0.00 -1.01 0.00 0.00 64.21 63.31 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 -2.15 0.08 -0.62 6.43 1.47 -1.26 -4.24 116.67 116.38 2cri s ASP 22 Ca 0.00 -0.31 -0.22 0.00 1.18 0.00 0.00 52.55 53.20 2cri s ASP 22 Cb 0.00 0.19 0.07 0.00 -0.34 0.00 0.00 42.92 42.84 2cri s ASP 22 CO 0.00 -0.39 0.90 -0.22 0.68 0.00 0.00 175.17 176.14 2cri s LEU 23 N -1.53 4.48 0.09 2.11 2.96 -0.81 -4.54 118.68 121.42 2cri s LEU 23 Ca -0.13 -0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 52.60 2cri s LEU 23 Cb -0.07 -2.49 -0.06 0.00 0.50 0.00 0.00 46.19 44.07 2cri s LEU 23 CO 0.00 -1.31 0.91 -0.54 -1.32 0.00 0.00 176.35 174.09 2cri s LYS 24 N 3.77 4.64 -0.21 1.98 1.02 -1.26 -0.37 119.74 129.31 2cri s LYS 24 Ca 0.22 1.35 -0.06 0.00 0.02 0.00 0.00 55.97 57.50 2cri s LYS 24 Cb -0.17 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 2cri s LYS 24 CO 0.12 0.22 0.02 -0.06 -0.92 0.00 0.00 175.35 174.72 2cri s PHE 25 N 0.05 3.06 -0.30 3.18 0.40 0.67 -4.92 117.98 120.12 2cri s PHE 25 Ca 0.45 -0.42 -0.21 0.00 -0.60 0.00 0.00 56.93 56.15 2cri s PHE 25 Cb -0.22 -2.11 -0.01 0.00 0.51 0.00 0.00 43.02 41.19 2cri s PHE 25 CO 0.28 -0.24 0.68 0.21 0.70 0.00 0.00 175.22 176.86 2cri s LYS 26 N 1.06 3.95 0.00 0.44 2.36 -1.26 -1.11 119.74 125.18 2cri s LYS 26 Ca 0.03 0.43 0.00 0.00 -2.55 0.00 0.00 55.97 53.87 2cri s LYS 26 Cb -0.14 -3.72 0.00 0.00 -1.05 0.00 0.00 37.83 32.92 2cri s LYS 26 CO 0.02 -0.59 0.00 0.41 1.55 0.00 0.00 175.35 176.74 2cri n GLY 27 N 4.31 -2.63 3.70 5.54 0.00 -0.67 -4.90 105.19 110.54 2cri n GLY 27 Ca 0.01 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.69 0.81 -0.02 1.61 0.04 -1.26 -4.52 135.00 130.97 2cri s PRO 28 Ca 0.00 0.66 0.22 0.00 0.04 0.00 0.00 61.00 61.92 2cri s PRO 28 Cb 0.00 -1.77 0.66 0.00 0.04 0.00 0.00 34.50 33.43 2cri s PRO 28 CO 0.00 -2.51 1.56 1.19 0.04 0.00 0.00 177.00 177.28 2cri n PHE 29 N -4.04 1.08 1.76 0.56 3.72 -1.26 -4.33 117.46 114.94 2cri n PHE 29 Ca 0.06 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 2cri n PHE 29 Cb 0.56 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 1.53 0.00 -3.82 4.37 5.66 -1.26 -3.96 114.28 116.80 2cri n THR 30 Ca 0.25 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.21 2cri n THR 30 Cb 0.68 -0.11 0.01 0.00 -1.55 0.00 0.00 70.33 69.35 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 -0.80 -0.07 -0.03 1.09 2.15 -1.26 -5.02 116.67 112.72 2cri s ASP 31 Ca 0.00 -0.62 -0.31 0.00 0.43 0.00 0.00 52.55 52.05 2cri s ASP 31 Cb 0.00 0.54 -0.09 0.00 -0.30 0.00 0.00 42.92 43.07 2cri s ASP 31 CO 0.00 -1.05 2.00 0.52 -0.17 0.00 0.00 175.17 176.47 2cri n VAL 32 N -0.58 0.67 -3.56 1.11 0.31 -1.26 -4.11 118.33 110.90 2cri n VAL 32 Ca -0.05 -0.18 -0.36 0.00 -0.01 0.00 0.00 64.34 63.74 2cri n VAL 32 Cb 0.60 -2.25 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 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 4.98 5.31 -0.36 2.52 1.01 -0.87 -4.97 120.40 128.02 2cri s VAL 33 Ca 0.92 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 63.34 2cri s VAL 33 Cb -0.48 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.33 2cri s VAL 33 CO 0.43 0.41 0.16 -0.89 0.00 0.00 0.00 175.10 175.22 2cri s THR 34 N 0.31 4.11 -0.16 3.92 2.01 -1.26 -0.86 115.64 123.72 2cri s THR 34 Ca 0.16 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 61.06 2cri s THR 34 Cb -0.13 -3.35 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 2cri s THR 34 CO 0.04 -0.26 -0.15 -0.89 -0.69 0.00 0.00 174.62 172.67 2cri s THR 35 N 1.45 2.72 -0.05 -0.82 2.01 0.00 -4.99 115.64 115.96 2cri s THR 35 Ca 0.00 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 2cri s THR 35 Cb -0.20 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 2cri s THR 35 CO 0.04 0.51 0.30 0.54 -0.69 0.00 0.00 174.62 175.32 2cri s ASN 36 N 0.81 6.64 -0.27 3.53 2.20 -1.26 -0.49 114.94 126.10 2cri s ASN 36 Ca -0.05 0.76 -0.02 0.00 -0.94 0.00 0.00 52.86 52.62 2cri s ASN 36 Cb -0.15 -2.18 0.04 0.00 -2.00 0.00 0.00 41.25 36.95 2cri s ASN 36 CO 0.00 0.35 -0.04 -0.22 -2.94 0.00 0.00 177.10 174.25 2cri s LEU 37 N -1.01 3.46 0.06 3.54 0.20 -0.80 -4.90 118.68 119.22 2cri s LEU 37 Ca 0.20 -1.03 -0.29 0.00 0.69 0.00 0.00 54.13 53.70 2cri s LEU 37 Cb -0.15 -1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 43.89 2cri s LEU 37 CO 0.09 -0.18 0.92 -0.54 -0.29 0.00 0.00 176.35 176.36 2cri s LYS 38 N 1.29 4.61 -0.28 1.98 1.02 -0.70 -2.34 119.74 125.33 2cri s LYS 38 Ca -0.02 1.35 0.01 0.00 0.02 0.00 0.00 55.97 57.33 2cri s LYS 38 Cb -0.18 -3.40 0.08 0.00 -0.52 0.00 0.00 37.83 33.81 2cri s LYS 38 CO -0.03 0.13 0.03 -0.51 -0.92 0.00 0.00 175.35 174.05 2cri s LEU 39 N 0.35 2.82 0.24 3.17 1.43 -0.02 -0.60 118.68 126.07 2cri s LEU 39 Ca 0.47 -1.53 -0.18 0.00 -1.03 0.00 0.00 54.13 51.86 2cri s LEU 39 Cb -0.22 -1.12 -0.08 0.00 0.03 0.00 0.00 46.19 44.80 2cri s LEU 39 CO 0.28 -0.34 0.72 -1.58 0.23 0.00 0.00 176.35 175.66 2cri s GLN 40 N 1.40 4.18 -0.36 1.70 0.74 -0.66 -1.91 119.66 124.76 2cri s GLN 40 Ca 0.04 0.81 0.04 0.00 0.05 0.00 0.00 55.36 56.29 2cri s GLN 40 Cb -0.18 -2.78 0.10 0.00 1.10 0.00 0.00 33.01 31.25 2cri s GLN 40 CO -0.13 0.35 0.08 1.21 -0.55 0.00 0.00 175.29 176.24 2cri s ASN 41 N -1.79 4.66 0.12 6.67 3.84 -0.91 -1.83 114.94 125.70 2cri s ASN 41 Ca 0.45 -2.22 -0.13 0.00 0.21 0.00 0.00 52.86 51.17 2cri s ASN 41 Cb -0.15 -1.58 -0.06 0.00 -0.55 0.00 0.00 41.25 38.91 2cri s ASN 41 CO 0.20 -0.37 1.45 1.55 -2.79 0.00 0.00 177.10 177.15 2cri h PRO 42 N 7.51 0.83 -6.76 0.43 0.13 -1.89 -2.06 132.00 130.20 2cri h PRO 42 Ca -0.05 -0.44 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 2cri h PRO 42 Cb 1.00 0.01 0.18 0.00 0.13 0.00 0.00 31.00 32.33 2cri h PRO 42 CO 0.53 1.07 -0.18 -1.13 -0.23 0.00 0.00 178.00 178.07 2cri n SER 43 N -4.16 -0.44 -1.87 1.44 3.41 -1.26 -4.65 113.62 106.09 2cri n SER 43 Ca -0.03 0.65 -0.16 0.00 -0.26 0.00 0.00 58.87 59.07 2cri n SER 43 Cb 0.51 -1.29 0.14 0.00 -0.26 0.00 0.00 64.21 63.31 2cri n SER 43 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2cri n ASP 44 N -0.76 3.60 -3.72 4.04 8.00 -1.26 -3.20 116.55 123.25 2cri n ASP 44 Ca 0.12 -3.14 -0.12 0.00 0.71 0.00 0.00 54.79 52.36 2cri n ASP 44 Cb 0.49 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.79 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 -2.39 0.87 0.96 -1.24 1.70 -1.26 -4.90 118.95 112.69 2cri s ARG 45 Ca 0.41 -0.51 -0.13 0.00 -0.47 0.00 0.00 55.73 55.03 2cri s ARG 45 Cb 0.35 0.38 0.03 0.00 -0.57 0.00 0.00 34.95 35.13 2cri s ARG 45 CO 0.08 -0.29 0.33 1.63 -1.08 0.00 0.00 175.30 175.97 2cri n LYS 46 N 0.45 -0.31 -3.66 3.89 5.02 -1.26 -4.33 118.16 117.96 2cri n LYS 46 Ca -0.18 -0.05 -0.06 0.00 -2.02 0.00 0.00 58.31 55.99 2cri n LYS 46 Cb 0.60 -1.81 -0.08 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.37 -0.69 0.39 -0.18 1.01 -1.24 -3.05 120.40 114.26 2cri s VAL 47 Ca 0.56 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.42 2cri s VAL 47 Cb -0.21 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 2cri s VAL 47 CO 0.68 0.05 0.98 0.00 0.00 0.00 0.00 175.10 176.81 2cri s PHE 49 N -1.84 -0.38 -0.13 0.00 -0.71 -0.89 -1.25 117.98 112.78 2cri s PHE 49 Ca 0.57 0.92 0.02 0.00 -1.04 0.00 0.00 56.93 57.40 2cri s PHE 49 Cb -0.16 0.13 0.01 0.00 -1.21 0.00 0.00 43.02 41.79 2cri s PHE 49 CO 0.21 -0.19 -0.19 0.15 -1.34 0.00 0.00 175.22 173.86 2cri s LYS 50 N 0.15 2.64 -0.37 1.99 1.02 -0.93 -2.84 119.74 121.39 2cri s LYS 50 Ca -0.00 -0.72 -0.21 0.00 0.02 0.00 0.00 55.97 55.06 2cri s LYS 50 Cb -0.02 -2.18 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 2cri s LYS 50 CO 0.01 -0.04 0.67 0.08 -0.92 0.00 0.00 175.35 175.14 2cri s VAL 51 N 0.90 4.85 -0.03 3.17 1.01 -0.84 -2.58 120.40 126.87 2cri s VAL 51 Ca -0.07 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 2cri s VAL 51 Cb -0.15 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.13 2cri s VAL 51 CO -0.02 -0.39 0.04 -1.59 0.00 0.00 0.00 175.10 173.15 2cri s LYS 52 N 2.81 -0.04 0.24 2.72 -2.85 -1.00 -4.90 119.74 116.72 2cri s LYS 52 Ca 0.25 0.24 0.07 0.00 -1.00 0.00 0.00 55.97 55.54 2cri s LYS 52 Cb -0.14 -0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 35.28 2cri s LYS 52 CO 0.16 -0.21 -0.10 -0.08 0.10 0.00 0.00 175.35 175.22 2cri s THR 53 N 1.33 1.68 -0.92 3.79 -1.32 -1.26 -1.90 115.64 117.03 2cri s THR 53 Ca -0.06 -2.17 0.25 0.00 -1.21 0.00 0.00 61.69 58.50 2cri s THR 53 Cb -0.13 -2.23 0.23 0.00 -1.51 0.00 0.00 72.50 68.86 2cri s THR 53 CO -0.03 -0.46 1.80 1.07 -2.21 0.00 0.00 174.62 174.79 2cri n THR 54 N -0.47 0.35 -2.85 5.08 5.66 -1.16 -3.76 114.28 117.14 2cri n THR 54 Ca -0.07 0.01 -0.28 0.00 -3.05 0.00 0.00 64.05 60.66 2cri n THR 54 Cb 0.62 -0.66 -0.03 0.00 -1.55 0.00 0.00 70.33 68.71 2cri n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cri n ALA 55 N -1.57 4.86 0.37 1.79 0.00 -1.26 -4.82 120.51 119.88 2cri n ALA 55 Ca 0.06 -4.65 0.13 0.00 0.00 0.00 0.00 53.44 48.97 2cri n ALA 55 Cb 0.32 -0.83 0.53 0.00 0.00 0.00 0.00 19.45 19.46 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 3.03 0.00 0.00 0.00 0.13 -1.84 -2.17 132.00 131.14 2cri h PRO 56 Ca 0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.28 2cri h PRO 56 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 2cri h PRO 56 CO 0.86 0.00 -0.45 0.00 -0.23 0.00 0.00 178.00 178.17 2cri h ARG 57 N 0.00 0.00 -0.00 0.86 -0.00 -1.93 -3.30 114.38 110.01 2cri h ARG 57 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2cri h ARG 57 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.35 2cri h ARG 57 CO 0.00 0.14 -0.10 0.54 0.00 0.00 0.00 179.97 180.55 2cri n ARG 58 N -3.02 1.36 -3.76 0.04 1.74 -0.96 -4.98 116.66 107.07 2cri n ARG 58 Ca 0.01 -2.73 -0.13 0.00 -0.77 0.00 0.00 57.85 54.24 2cri n ARG 58 Cb 0.61 -1.53 -0.13 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.95 -0.22 -0.40 -1.55 1.51 -0.86 -3.16 117.35 109.71 2cri s TYR 59 Ca 0.33 0.57 0.02 0.00 -1.01 0.00 0.00 57.07 56.98 2cri s TYR 59 Cb 0.30 0.00 0.12 0.00 -0.11 0.00 0.00 41.96 42.27 2cri s TYR 59 CO 0.01 -0.16 0.17 0.00 -1.11 0.00 0.00 175.55 174.46 2cri s VAL 61 N 0.66 5.26 -0.14 0.00 -7.23 -1.26 -0.67 120.40 117.02 2cri s VAL 61 Ca 0.14 0.65 -0.05 0.00 -1.81 0.00 0.00 61.98 60.91 2cri s VAL 61 Cb -0.22 -3.67 0.07 0.00 0.56 0.00 0.00 36.38 33.11 2cri s VAL 61 CO -0.07 0.40 0.30 -0.13 -0.31 0.00 0.00 175.10 175.28 2cri s ARG 62 N 0.32 0.20 0.98 4.82 0.52 -0.27 -3.60 118.95 121.91 2cri s ARG 62 Ca 0.19 0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 56.06 2cri s ARG 62 Cb -0.14 0.03 0.17 0.00 0.52 0.00 0.00 34.95 35.53 2cri s ARG 62 CO 0.06 -0.26 1.09 -1.25 0.02 0.00 0.00 175.30 174.96 2cri s PRO 63 N 2.28 0.62 0.00 3.54 0.04 -1.26 -1.23 135.00 138.98 2cri s PRO 63 Ca -0.01 0.59 0.15 0.00 0.04 0.00 0.00 61.00 61.77 2cri s PRO 63 Cb -0.12 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 32.77 2cri s PRO 63 CO -0.09 -2.62 0.94 0.27 0.04 0.00 0.00 177.00 175.54 2cri n ASN 64 N -4.11 2.14 -3.61 6.66 0.23 -1.24 -4.77 115.26 110.55 2cri n ASN 64 Ca 0.06 -1.57 -0.08 0.00 -0.53 0.00 0.00 54.58 52.46 2cri n ASN 64 Cb 0.57 0.05 -0.06 0.00 -2.08 0.00 0.00 39.78 38.26 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 -1.27 -0.29 0.00 0.53 1.04 -1.26 -2.00 113.70 110.45 2cri s SER 65 Ca 0.16 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2cri s SER 65 Cb 0.12 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2cri s SER 65 CO 0.20 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2cri n GLY 66 N 1.20 -0.74 3.15 7.32 0.00 -1.13 -5.06 105.19 109.93 2cri n GLY 66 Ca -0.09 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 1.36 -0.39 -0.61 1.01 -1.26 -2.10 121.20 116.20 2cri s ILE 67 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 2cri s ILE 67 Cb 0.00 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.35 2cri s ILE 67 CO 0.00 0.39 0.26 -0.63 0.00 0.00 0.00 174.94 174.96 2cri s ILE 68 N -0.24 5.02 0.48 2.92 1.01 -1.03 -4.95 121.20 124.41 2cri s ILE 68 Ca 0.03 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 2cri s ILE 68 Cb -0.08 -3.77 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 2cri s ILE 68 CO 0.00 -0.25 0.21 0.47 0.00 0.00 0.00 174.94 175.37 2cri n ASP 69 N 5.10 -2.30 -4.71 3.58 9.92 -1.26 -3.72 116.55 123.16 2cri n ASP 69 Ca -0.11 0.76 -0.42 0.00 -0.53 0.00 0.00 54.79 54.49 2cri n ASP 69 Cb 0.47 -0.99 -0.03 0.00 -0.64 0.00 0.00 41.12 39.93 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 -1.37 4.31 -0.50 -0.24 0.04 -1.26 -2.86 135.00 133.13 2cri s PRO 70 Ca 0.62 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2cri s PRO 70 Cb -0.54 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2cri s PRO 70 CO 0.61 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2cri n GLY 71 N 3.54 0.35 3.29 0.56 0.00 -0.77 -4.88 105.19 107.27 2cri n GLY 71 Ca 0.12 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.81 1.03 0.09 1.61 0.01 -1.13 -4.97 113.70 107.52 2cri s SER 72 Ca 0.00 -1.37 0.10 0.00 1.31 0.00 0.00 55.95 55.99 2cri s SER 72 Cb 0.00 0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 2cri s SER 72 CO 0.00 -0.73 -0.26 -0.63 0.41 0.00 0.00 173.24 172.02 2cri s ILE 73 N -3.81 2.17 0.00 1.44 1.01 -1.26 -2.15 121.20 118.61 2cri s ILE 73 Ca 0.37 -1.56 0.07 0.00 0.00 0.00 0.00 60.65 59.53 2cri s ILE 73 Cb 0.08 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 2cri s ILE 73 CO 0.13 0.23 -0.20 -0.69 0.00 0.00 0.00 174.94 174.40 2cri s VAL 74 N -0.93 1.62 -0.34 2.92 1.01 -0.80 -4.95 120.40 118.94 2cri s VAL 74 Ca 0.13 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2cri s VAL 74 Cb -0.10 -1.37 0.09 0.00 0.00 0.00 0.00 36.38 35.00 2cri s VAL 74 CO 0.04 0.37 0.06 -0.89 0.00 0.00 0.00 175.10 174.68 2cri s THR 75 N -0.58 2.64 0.19 3.92 2.01 -1.26 -0.84 115.64 121.71 2cri s THR 75 Ca 0.08 -2.01 -0.21 0.00 0.31 0.00 0.00 61.69 59.86 2cri s THR 75 Cb -0.08 -2.78 -0.08 0.00 0.01 0.00 0.00 72.50 69.57 2cri s THR 75 CO 0.00 -0.46 0.71 -0.69 -0.69 0.00 0.00 174.62 173.49 2cri s VAL 76 N 1.05 4.56 -0.61 3.82 1.01 -0.99 -4.87 120.40 124.38 2cri s VAL 76 Ca 0.05 1.34 -0.21 0.00 0.00 0.00 0.00 61.98 63.15 2cri s VAL 76 Cb -0.20 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.33 2cri s VAL 76 CO -0.05 0.32 0.85 -0.44 0.00 0.00 0.00 175.10 175.78 2cri s SER 77 N -1.48 6.20 -0.49 3.32 0.01 -0.37 -1.91 113.70 118.99 2cri s SER 77 Ca 0.39 -1.03 -0.16 0.00 1.31 0.00 0.00 55.95 56.47 2cri s SER 77 Cb -0.18 -2.37 0.09 0.00 0.21 0.00 0.00 66.02 63.76 2cri s SER 77 CO 0.22 -1.27 0.43 -0.69 0.41 0.00 0.00 173.24 172.34 2cri s VAL 78 N 3.52 5.22 -0.03 3.43 1.01 0.36 -1.12 120.40 132.79 2cri s VAL 78 Ca 0.19 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 2cri s VAL 78 Cb -0.19 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 2cri s VAL 78 CO 0.10 -0.65 0.50 -0.04 0.00 0.00 0.00 175.10 175.00 2cri s MET 79 N 1.66 4.19 -0.22 2.72 -1.94 0.15 -0.81 119.30 125.05 2cri s MET 79 Ca 0.04 0.54 0.01 0.00 -1.71 0.00 0.00 55.69 54.58 2cri s MET 79 Cb -0.25 -3.32 0.05 0.00 2.01 0.00 0.00 34.83 33.31 2cri s MET 79 CO 0.06 0.44 -0.11 -1.17 -0.01 0.00 0.00 175.02 174.23 2cri s LEU 80 N -0.34 2.59 0.44 -0.03 1.98 -0.04 -0.34 118.68 122.95 2cri s LEU 80 Ca 0.27 -1.02 -0.25 0.00 -2.89 0.00 0.00 54.13 50.23 2cri s LEU 80 Cb -0.17 -1.34 -0.08 0.00 0.66 0.00 0.00 46.19 45.26 2cri s LEU 80 CO 0.14 -0.15 1.40 -1.10 -1.89 0.00 0.00 176.35 174.75 2cri s GLN 81 N 1.31 3.74 0.02 1.98 1.11 -1.19 -2.05 119.66 124.58 2cri s GLN 81 Ca -0.03 2.36 -0.30 0.00 0.01 0.00 0.00 55.36 57.40 2cri s GLN 81 Cb -0.17 -2.68 -0.06 0.00 -1.01 0.00 0.00 33.01 29.09 2cri s GLN 81 CO -0.08 -0.75 1.44 -1.25 0.01 0.00 0.00 175.29 174.66 2cri s PRO 82 N -2.41 4.27 0.04 2.91 0.04 -1.26 -4.90 135.00 133.69 2cri s PRO 82 Ca 0.60 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.56 2cri s PRO 82 Cb -0.43 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.56 2cri s PRO 82 CO 0.55 -0.59 0.23 -0.59 0.04 0.00 0.00 177.00 176.64 2cri s PHE 83 N 2.37 0.00 -0.80 0.56 -0.71 -1.25 -4.97 117.98 113.18 2cri s PHE 83 Ca 0.65 -0.19 -0.25 0.00 -1.04 0.00 0.00 56.93 56.10 2cri s PHE 83 Cb -0.33 0.01 -0.06 0.00 -1.21 0.00 0.00 43.02 41.43 2cri s PHE 83 CO 0.27 -0.45 2.06 0.16 -1.34 0.00 0.00 175.22 175.92 2cri s ASP 84 N -2.07 4.86 -0.06 1.98 1.47 -1.26 -4.93 116.67 116.65 2cri s ASP 84 Ca -0.05 -0.22 -0.26 0.00 1.18 0.00 0.00 52.55 53.21 2cri s ASP 84 Cb -0.01 -2.55 -0.03 0.00 -0.34 0.00 0.00 42.92 39.99 2cri s ASP 84 CO -0.04 -2.92 0.80 -0.47 0.68 0.00 0.00 175.17 173.22 2cri s TYR 85 N 11.02 3.58 -0.17 2.11 5.04 -1.26 -5.05 117.35 132.62 2cri s TYR 85 Ca 0.76 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.77 2cri s TYR 85 Cb -0.10 -2.92 0.01 0.00 0.35 0.00 0.00 41.96 39.30 2cri s TYR 85 CO 0.07 0.02 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.62 2cri s ASP 86 N 0.90 3.46 0.02 4.32 1.11 -1.26 -5.02 116.67 120.19 2cri s ASP 86 Ca 0.42 -0.55 -0.22 0.00 0.18 0.00 0.00 52.55 52.38 2cri s ASP 86 Cb -0.18 -1.53 -0.17 0.00 1.07 0.00 0.00 42.92 42.10 2cri s ASP 86 CO 0.20 0.04 1.32 1.55 1.18 0.00 0.00 175.17 179.46 2cri h PRO 87 N 7.63 0.22 -0.55 8.23 0.13 -1.99 -3.26 132.00 142.41 2cri h PRO 87 Ca -0.38 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 2cri h PRO 87 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2cri h PRO 87 CO 0.59 0.64 -0.06 -0.91 -0.23 0.00 0.00 178.00 178.03 2cri h ASN 88 N -0.19 1.00 -3.50 1.44 4.21 -2.05 -3.37 115.58 113.11 2cri h ASN 88 Ca 0.01 -0.31 -0.72 0.00 1.21 0.00 0.00 56.30 56.50 2cri h ASN 88 Cb 0.60 -0.27 -0.31 0.00 -1.12 0.00 0.00 38.32 37.23 2cri h ASN 88 CO 0.02 1.08 -0.36 -1.61 -1.29 0.00 0.00 177.43 175.27 2cri s GLU 89 N -4.91 2.53 -0.25 0.81 0.41 -1.23 -5.06 118.70 111.00 2cri s GLU 89 Ca -0.11 -1.96 -0.11 0.00 -0.41 0.00 0.00 54.97 52.38 2cri s GLU 89 Cb 0.13 -3.90 -0.05 0.00 -1.78 0.00 0.00 34.13 28.54 2cri s GLU 89 CO 0.85 -1.19 0.17 -1.59 -0.49 0.00 0.00 175.26 173.01 2cri s LYS 90 N 1.00 4.01 0.00 1.61 -2.85 -1.25 -4.29 119.74 117.97 2cri s LYS 90 Ca 0.09 -0.30 0.00 0.00 -1.00 0.00 0.00 55.97 54.76 2cri s LYS 90 Cb -0.23 -3.57 0.00 0.00 -2.06 0.00 0.00 37.83 31.96 2cri s LYS 90 CO -0.02 -0.03 0.00 0.43 0.10 0.00 0.00 175.35 175.82 2cri n SER 91 N 4.59 0.00 -3.62 0.03 7.64 -1.26 -5.06 113.62 115.94 2cri n SER 91 Ca -0.15 0.21 -0.11 0.00 1.01 0.00 0.00 58.87 59.83 2cri n SER 91 Cb 0.52 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.39 2cri n SER 91 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2cri s LYS 92 N -0.52 0.65 -0.30 1.43 2.20 -1.26 -5.16 119.74 116.78 2cri s LYS 92 Ca 0.00 0.61 -0.17 0.00 -0.36 0.00 0.00 55.97 56.05 2cri s LYS 92 Cb 0.00 0.31 0.18 0.00 -1.51 0.00 0.00 37.83 36.81 2cri s LYS 92 CO 0.00 -0.11 1.15 -3.38 -0.36 0.00 0.00 175.35 172.65 2cri s HIS 93 N -0.03 -0.36 -0.05 4.03 -3.43 -1.26 -5.00 115.29 109.18 2cri s HIS 93 Ca 0.01 0.57 -0.25 0.00 -0.80 0.00 0.00 55.06 54.58 2cri s HIS 93 Cb -0.04 0.20 0.05 0.00 -1.43 0.00 0.00 32.58 31.36 2cri s HIS 93 CO -0.02 -0.18 0.56 0.21 -2.00 0.00 0.00 174.74 173.31 2cri s LYS 94 N 2.36 0.91 -0.05 -0.38 2.36 -1.26 -4.64 119.74 119.03 2cri s LYS 94 Ca -0.01 0.17 0.05 0.00 -2.55 0.00 0.00 55.97 53.63 2cri s LYS 94 Cb -0.04 0.42 -0.02 0.00 -1.05 0.00 0.00 37.83 37.14 2cri s LYS 94 CO -0.16 -0.26 -0.22 0.12 1.55 0.00 0.00 175.35 176.39 2cri s PHE 95 N -1.09 2.51 -0.12 4.03 5.36 0.29 -2.99 117.98 125.97 2cri s PHE 95 Ca -0.11 -0.50 -0.00 0.00 -0.96 0.00 0.00 56.93 55.36 2cri s PHE 95 Cb -0.02 -1.60 0.03 0.00 -0.34 0.00 0.00 43.02 41.08 2cri s PHE 95 CO 0.07 -0.07 -0.08 -1.64 -1.46 0.00 0.00 175.22 172.04 2cri s MET 96 N -0.38 1.60 -0.13 10.12 -1.94 -0.80 -0.99 119.30 126.78 2cri s MET 96 Ca 0.03 -0.30 0.03 0.00 -1.71 0.00 0.00 55.69 53.74 2cri s MET 96 Cb -0.12 -1.66 0.01 0.00 2.01 0.00 0.00 34.83 35.06 2cri s MET 96 CO 0.02 -0.27 -0.23 0.08 -0.01 0.00 0.00 175.02 174.61 2cri s VAL 97 N 1.68 2.06 0.10 -6.03 1.01 -0.86 -2.37 120.40 115.99 2cri s VAL 97 Ca 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2cri s VAL 97 Cb -0.13 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2cri s VAL 97 CO -0.08 0.55 0.13 -1.58 0.00 0.00 0.00 175.10 174.12 2cri s GLN 98 N 0.65 3.02 -0.09 2.72 0.74 -1.06 0.16 119.66 125.80 2cri s GLN 98 Ca -0.11 -0.69 -0.16 0.00 0.05 0.00 0.00 55.36 54.46 2cri s GLN 98 Cb -0.16 -2.78 0.04 0.00 1.10 0.00 0.00 33.01 31.20 2cri s GLN 98 CO 0.02 0.55 0.39 0.95 -0.55 0.00 0.00 175.29 176.65 2cri s THR 99 N -1.53 0.02 -0.15 -0.34 -4.23 0.15 -2.20 115.64 107.37 2cri s THR 99 Ca 0.31 -0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 60.40 2cri s THR 99 Cb -0.12 -0.62 0.06 0.00 1.34 0.00 0.00 72.50 73.16 2cri s THR 99 CO 0.24 -0.11 0.58 -0.51 -0.54 0.00 0.00 174.62 174.28 2cri s ILE 100 N -0.53 0.01 0.25 2.99 2.07 -0.38 -1.89 121.20 123.71 2cri s ILE 100 Ca -0.06 -0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 58.81 2cri s ILE 100 Cb -0.04 -0.85 -0.11 0.00 0.13 0.00 0.00 42.46 41.60 2cri s ILE 100 CO 0.03 -0.03 1.53 -0.36 -1.91 0.00 0.00 174.94 174.19 2cri s PHE 101 N -0.32 2.92 -0.05 3.50 0.08 -1.26 -0.92 117.98 121.92 2cri s PHE 101 Ca -0.05 0.86 -0.14 0.00 0.12 0.00 0.00 56.93 57.72 2cri s PHE 101 Cb -0.03 -3.94 -0.05 0.00 -0.57 0.00 0.00 43.02 38.42 2cri s PHE 101 CO 0.04 -3.18 0.37 0.00 -0.10 0.00 0.00 175.22 172.34 2cri s ALA 102 N 0.18 3.68 0.95 5.36 0.00 -1.17 -4.81 121.76 125.94 2cri s ALA 102 Ca 0.63 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 2cri s ALA 102 Cb -0.45 -2.37 0.16 0.00 0.00 0.00 0.00 23.12 20.46 2cri s ALA 102 CO 0.43 0.38 1.09 -1.25 0.00 0.00 0.00 175.76 176.41 2cri s PRO 103 N -0.63 0.85 0.42 0.00 0.04 -1.26 -4.73 135.00 129.69 2cri s PRO 103 Ca 0.22 0.67 0.21 0.00 0.04 0.00 0.00 61.00 62.13 2cri s PRO 103 Cb -0.15 -1.77 0.89 0.00 0.04 0.00 0.00 34.50 33.50 2cri s PRO 103 CO 0.10 -2.48 1.84 -1.00 0.04 0.00 0.00 177.00 175.50 2cri h PRO 104 N -1.72 0.00 0.00 0.56 0.13 -2.01 -3.30 132.00 125.66 2cri h PRO 104 Ca -0.52 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.24 2cri h PRO 104 Cb 1.31 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 2cri h PRO 104 CO 0.56 0.30 -2.05 0.27 -0.23 0.00 0.00 178.00 176.85 2cri n ASN 105 N -3.62 1.92 -3.79 1.44 0.23 -1.26 -4.98 115.26 105.21 2cri n ASN 105 Ca -0.01 0.37 -0.23 0.00 -0.53 0.00 0.00 54.58 54.18 2cri n ASN 105 Cb 0.42 -0.88 -0.05 0.00 -2.08 0.00 0.00 39.78 37.19 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2cri n ILE 106 N -4.32 -0.90 -0.35 1.53 3.06 -1.25 -4.77 119.36 112.36 2cri n ILE 106 Ca -0.46 -0.35 -0.10 0.00 -2.50 0.00 0.00 62.75 59.33 2cri n ILE 106 Cb 0.81 -0.84 -0.09 0.00 0.54 0.00 0.00 39.64 40.05 2cri n ILE 106 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 2cri h SER 107 N -0.89 -1.96 -3.71 9.51 0.87 -1.94 -3.39 113.55 112.04 2cri h SER 107 Ca -0.46 0.29 -0.68 0.00 -1.23 0.00 0.00 61.79 59.72 2cri h SER 107 Cb 0.96 0.86 -0.19 0.00 -0.44 0.00 0.00 62.40 63.59 2cri h SER 107 CO 0.46 -0.23 -0.73 -1.81 -0.53 0.00 0.00 176.83 173.99 2cri s ASP 108 N -5.24 4.43 -0.05 6.23 1.01 -1.26 -5.04 116.67 116.75 2cri s ASP 108 Ca -0.11 -0.19 -0.26 0.00 0.71 0.00 0.00 52.55 52.69 2cri s ASP 108 Cb 0.10 -0.98 -0.22 0.00 1.01 0.00 0.00 42.92 42.83 2cri s ASP 108 CO 0.57 0.29 1.13 -0.03 0.21 0.00 0.00 175.17 177.34 2cri h MET 109 N 4.63 0.04 0.26 8.23 4.05 -2.00 -3.16 114.93 126.98 2cri h MET 109 Ca -0.48 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 58.90 2cri h MET 109 Cb 1.16 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2cri h MET 109 CO 0.52 0.67 -0.12 1.05 0.23 0.00 0.00 176.91 179.25 2cri h GLU 110 N -0.58 -0.34 -1.11 0.39 4.11 -1.97 -2.51 114.58 112.57 2cri h GLU 110 Ca -0.00 0.02 0.34 0.00 0.07 0.00 0.00 59.36 59.79 2cri h GLU 110 Cb 0.67 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.87 2cri h GLU 110 CO 0.01 -0.22 0.69 0.00 0.07 0.00 0.00 179.01 179.56 2cri h ALA 111 N 0.38 2.28 -0.42 1.06 0.00 -2.00 0.27 119.26 120.83 2cri h ALA 111 Ca -0.04 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2cri h ALA 111 Cb 0.28 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2cri h ALA 111 CO 0.06 -0.83 0.15 0.28 0.00 0.00 0.00 179.25 178.92 2cri h VAL 112 N 0.28 0.87 -0.49 0.00 2.07 -1.41 0.22 116.25 117.81 2cri h VAL 112 Ca 0.71 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 68.02 2cri h VAL 112 Cb 1.88 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2cri h VAL 112 CO -0.44 0.06 -0.10 -0.50 0.02 0.00 0.00 177.57 176.60 2cri h TRP 113 N 0.32 0.99 0.39 1.57 4.06 -0.51 -0.99 115.95 121.78 2cri h TRP 113 Ca 0.20 -0.19 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2cri h TRP 113 Cb 0.18 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.09 2cri h TRP 113 CO -0.15 0.94 -0.19 0.87 -3.56 0.00 0.00 178.44 176.36 2cri h LYS 114 N 0.80 -0.51 -0.58 0.49 6.56 -0.72 -2.96 116.57 119.65 2cri h LYS 114 Ca 0.13 0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.73 2cri h LYS 114 Cb 0.63 0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.37 2cri h LYS 114 CO 0.04 -0.28 0.24 0.93 -2.06 0.00 0.00 179.45 178.32 2cri h GLU 115 N -0.63 0.83 -6.26 3.15 5.08 -0.97 -3.42 114.58 112.37 2cri h GLU 115 Ca -0.05 -0.12 -0.62 0.00 -1.00 0.00 0.00 59.36 57.57 2cri h GLU 115 Cb 0.46 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.58 2cri h GLU 115 CO 0.09 0.68 1.13 0.00 -1.00 0.00 0.00 179.01 179.90 2cri n ALA 116 N -2.45 0.91 -2.19 3.43 0.00 -0.38 -4.95 120.51 114.88 2cri n ALA 116 Ca 0.05 0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 2cri n ALA 116 Cb 0.16 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.06 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 4.24 3.79 0.00 0.00 -0.14 -1.26 -4.93 119.74 121.44 2cri s LYS 117 Ca 0.94 0.47 0.15 0.00 -1.36 0.00 0.00 55.97 56.17 2cri s LYS 117 Cb -0.68 -2.40 0.84 0.00 -1.68 0.00 0.00 37.83 33.91 2cri s LYS 117 CO 0.51 -0.02 1.37 -0.35 -0.76 0.00 0.00 175.35 176.11 2cri n PRO 118 N -1.22 0.36 -0.03 -1.68 -0.04 -1.26 -1.05 135.00 130.08 2cri n PRO 118 Ca 0.02 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 2cri n PRO 118 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.13 0.31 -0.01 3.54 8.00 -1.26 -4.36 116.55 121.64 2cri n ASP 119 Ca 0.09 0.14 0.07 0.00 0.71 0.00 0.00 54.79 55.81 2cri n ASP 119 Cb 0.08 0.97 -0.14 0.00 -0.02 0.00 0.00 41.12 42.02 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 -2.66 0.60 -2.20 -1.24 -0.58 -0.92 -4.97 120.64 108.67 2cri n GLU 120 Ca -0.16 -0.15 -0.41 0.00 -0.42 0.00 0.00 57.16 56.01 2cri n GLU 120 Cb 0.88 -1.42 -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 -4.31 4.41 -0.22 -4.62 1.43 -0.21 -4.98 118.68 110.17 2cri s LEU 121 Ca -0.07 2.41 -0.06 0.00 -1.03 0.00 0.00 54.13 55.38 2cri s LEU 121 Cb 0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 2cri s LEU 121 CO 0.73 -0.56 0.03 -0.04 0.23 0.00 0.00 176.35 176.75 2cri s MET 122 N 0.01 3.66 0.44 1.70 -1.94 -0.79 -4.94 119.30 117.43 2cri s MET 122 Ca 0.58 -0.49 0.07 0.00 -1.71 0.00 0.00 55.69 54.14 2cri s MET 122 Cb -0.37 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.24 2cri s MET 122 CO 0.38 -0.06 0.23 -0.51 -0.01 0.00 0.00 175.02 175.05 2cri s ASP 123 N 1.23 4.53 -0.09 3.03 1.11 -1.26 0.33 116.67 125.55 2cri s ASP 123 Ca 0.04 -1.09 -0.03 0.00 0.18 0.00 0.00 52.55 51.64 2cri s ASP 123 Cb -0.15 -0.30 0.05 0.00 1.07 0.00 0.00 42.92 43.59 2cri s ASP 123 CO 0.02 -0.66 0.17 -0.55 1.18 0.00 0.00 175.17 175.33 2cri s SER 124 N -3.99 0.41 -0.26 0.27 0.15 0.12 -4.11 113.70 106.29 2cri s SER 124 Ca 0.39 0.37 -0.23 0.00 0.70 0.00 0.00 55.95 57.17 2cri s SER 124 Cb 0.02 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2cri s SER 124 CO 0.22 -0.21 0.78 -0.75 1.20 0.00 0.00 173.24 174.48 2cri s LYS 125 N 1.94 4.13 -0.04 5.44 2.20 -1.26 -2.03 119.74 130.12 2cri s LYS 125 Ca -0.01 0.79 0.03 0.00 -0.36 0.00 0.00 55.97 56.42 2cri s LYS 125 Cb -0.12 -3.66 0.01 0.00 -1.51 0.00 0.00 37.83 32.55 2cri s LYS 125 CO -0.06 -0.53 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.13 2cri s LEU 126 N 2.79 1.75 -0.14 5.43 0.20 -0.16 -5.03 118.68 123.52 2cri s LEU 126 Ca 0.33 -0.22 -0.04 0.00 0.69 0.00 0.00 54.13 54.88 2cri s LEU 126 Cb -0.15 -0.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.93 2cri s LEU 126 CO 0.08 0.06 0.00 0.00 -0.29 0.00 0.00 176.35 176.21 2cri s ARG 127 N 0.29 3.49 0.09 1.98 1.70 -1.26 0.11 118.95 125.35 2cri s ARG 127 Ca -0.06 -0.43 -0.21 0.00 -0.47 0.00 0.00 55.73 54.57 2cri s ARG 127 Cb -0.11 -2.94 -0.07 0.00 -0.57 0.00 0.00 34.95 31.26 2cri s ARG 127 CO 0.01 0.42 0.61 0.00 -1.08 0.00 0.00 175.30 175.27 2cri s VAL 129 N -1.05 2.43 -0.30 0.00 1.01 0.50 -4.91 120.40 118.08 2cri s VAL 129 Ca 0.31 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 2cri s VAL 129 Cb -0.20 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.20 2cri s VAL 129 CO 0.20 0.27 0.02 -0.36 0.00 0.00 0.00 175.10 175.23 2cri s PHE 130 N -0.93 3.21 0.27 5.22 0.08 -1.26 -0.24 117.98 124.32 2cri s PHE 130 Ca 0.14 -1.61 0.11 0.00 0.12 0.00 0.00 56.93 55.69 2cri s PHE 130 Cb -0.10 -2.15 -0.05 0.00 -0.57 0.00 0.00 43.02 40.15 2cri s PHE 130 CO 0.05 -0.75 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.12 2cri s GLU 131 N 1.33 2.04 0.17 0.44 8.01 -0.26 -4.94 118.70 125.48 2cri s GLU 131 Ca -0.03 -1.55 0.04 0.00 0.01 0.00 0.00 54.97 53.44 2cri s GLU 131 Cb -0.19 -2.00 -0.03 0.00 -4.31 0.00 0.00 34.13 27.59 2cri s GLU 131 CO -0.00 0.35 0.26 -1.64 0.01 0.00 0.00 175.26 174.24 2cri s MET 132 N -3.57 3.31 0.24 1.61 -1.94 -1.26 -1.67 119.30 116.02 2cri s MET 132 Ca 0.30 -0.70 -0.30 0.00 -1.71 0.00 0.00 55.69 53.29 2cri s MET 132 Cb -0.06 -2.87 -0.09 0.00 2.01 0.00 0.00 34.83 33.82 2cri s MET 132 CO 0.18 0.49 1.28 -1.25 -0.01 0.00 0.00 175.02 175.71 2cri s PRO 133 N -3.36 4.42 -0.46 2.03 0.04 -1.26 -4.65 135.00 131.76 2cri s PRO 133 Ca 0.34 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 63.17 2cri s PRO 133 Cb -0.10 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2cri s PRO 133 CO 0.27 -0.17 0.92 -0.80 0.04 0.00 0.00 177.00 177.27 2cri s ASN 134 N -0.02 6.50 0.08 6.66 -0.87 -1.26 -5.02 114.94 121.01 2cri s ASN 134 Ca 0.53 0.12 -0.28 0.00 -1.57 0.00 0.00 52.86 51.66 2cri s ASN 134 Cb -0.36 -2.45 -0.05 0.00 -0.02 0.00 0.00 41.25 38.36 2cri s ASN 134 CO 0.42 -1.04 0.90 -0.70 -2.57 0.00 0.00 177.10 174.10 2cri s GLU 135 N 3.74 4.62 0.39 -0.60 2.56 -1.26 -5.03 118.70 123.12 2cri s GLU 135 Ca 0.37 1.32 -0.11 0.00 0.00 0.00 0.00 54.97 56.55 2cri s GLU 135 Cb -0.10 -3.38 0.04 0.00 2.00 0.00 0.00 34.13 32.69 2cri s GLU 135 CO 0.26 0.21 0.71 1.21 -0.56 0.00 0.00 175.26 177.09 2cri s ASN 136 N 0.07 0.35 -0.27 -1.70 2.47 -1.26 -5.04 114.94 109.55 2cri s ASN 136 Ca 0.44 -1.32 0.12 0.00 0.42 0.00 0.00 52.86 52.53 2cri s ASN 136 Cb -0.22 0.82 0.62 0.00 -1.45 0.00 0.00 41.25 41.01 2cri s ASN 136 CO 0.27 -1.62 1.60 0.47 -3.72 0.00 0.00 177.10 174.10 2cri n ASP 137 N -1.55 3.91 -4.67 -4.21 9.92 -1.26 -4.96 116.55 113.73 2cri n ASP 137 Ca -0.06 -3.31 -0.38 0.00 -0.53 0.00 0.00 54.79 50.51 2cri n ASP 137 Cb 0.60 -0.66 -0.07 0.00 -0.64 0.00 0.00 41.12 40.35 2cri n ASP 137 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2cri s LYS 138 N -3.02 4.18 0.98 -1.24 -2.85 -1.26 -5.07 119.74 111.46 2cri s LYS 138 Ca 0.48 0.20 -0.14 0.00 -1.00 0.00 0.00 55.97 55.51 2cri s LYS 138 Cb 0.40 -3.53 0.22 0.00 -2.06 0.00 0.00 37.83 32.86 2cri s LYS 138 CO 0.09 -0.03 0.50 1.47 0.10 0.00 0.00 175.35 177.48 2cri n LEU 139 N 4.44 0.00 -4.91 2.77 -0.00 -1.26 -4.99 117.00 113.04 2cri n LEU 139 Ca -0.08 -0.51 -0.31 0.00 -0.00 0.00 0.00 56.01 55.11 2cri n LEU 139 Cb 0.51 -0.70 -0.04 0.00 -0.00 0.00 0.00 43.42 43.19 2cri n LEU 139 CO 0.40 -2.38 -0.08 0.21 -0.00 0.00 0.00 177.39 175.54 2cri s ASN 140 N -2.34 6.41 -0.05 1.45 3.84 -1.26 -5.11 114.94 117.89 2cri s ASN 140 Ca 0.39 0.39 -0.02 0.00 0.21 0.00 0.00 52.86 53.84 2cri s ASN 140 Cb -0.07 -2.01 0.03 0.00 -0.55 0.00 0.00 41.25 38.66 2cri s ASN 140 CO 0.33 0.12 0.09 -1.81 -2.79 0.00 0.00 177.10 173.04 2cri s ASP 141 N -2.50 0.03 -0.20 -4.21 1.01 -1.26 -5.14 116.67 104.39 2cri s ASP 141 Ca 0.37 0.18 -0.10 0.00 0.71 0.00 0.00 52.55 53.72 2cri s ASP 141 Cb -0.13 0.07 0.08 0.00 1.01 0.00 0.00 42.92 43.95 2cri s ASP 141 CO 0.27 -0.15 0.47 -0.94 0.21 0.00 0.00 175.17 175.03 2cri s SER 142 N 1.19 -0.55 -0.42 0.27 1.04 -1.26 -5.09 113.70 108.88 2cri s SER 142 Ca -0.08 1.06 0.07 0.00 0.48 0.00 0.00 55.95 57.48 2cri s SER 142 Cb -0.12 1.13 0.23 0.00 0.10 0.00 0.00 66.02 67.36 2cri s SER 142 CO -0.05 -0.21 0.49 0.61 0.98 0.00 0.00 173.24 175.06 2cri n GLY 143 N 4.67 2.83 0.00 7.32 0.00 -1.26 -4.93 105.19 113.82 2cri n GLY 143 Ca -0.18 -1.60 0.07 0.00 0.00 0.00 0.00 46.02 44.31 2cri n GLY 143 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cri n PRO 144 N 1.71 0.11 -0.06 1.61 -0.04 -1.26 -3.66 135.00 133.42 2cri n PRO 144 Ca 0.24 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.78 2cri n PRO 144 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 2cri n PRO 144 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cri h SER 145 N 0.00 -1.31 -0.09 3.54 4.64 -2.07 -2.83 113.55 115.42 2cri h SER 145 Ca 0.00 0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2cri h SER 145 Cb 0.19 0.56 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2cri h SER 145 CO 0.00 -0.39 -0.18 0.28 -0.87 0.00 0.00 176.83 175.67 2cri h SER 146 N -0.40 -0.58 0.00 4.97 0.02 -2.02 -3.57 113.55 111.96 2cri h SER 146 Ca 0.11 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2cri h SER 146 Cb 0.60 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2cri h SER 146 CO -0.47 -0.14 0.00 0.61 -1.14 0.00 0.00 176.83 175.68