#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 -0.31 0.16 1.61 1.04 -1.26 -5.19 113.70 109.76 2cri s SER 2 Ca 0.00 -0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.15 2cri s SER 2 Cb 0.00 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.53 2cri s SER 2 CO 0.00 -0.58 0.86 -0.94 0.98 0.00 0.00 173.24 173.57 2cri s SER 3 N -2.48 -0.25 0.36 7.02 1.04 -1.26 -5.19 113.70 112.94 2cri s SER 3 Ca 0.06 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.17 2cri s SER 3 Cb -0.01 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 2cri s SER 3 CO -0.07 -0.98 0.16 -0.83 0.98 0.00 0.00 173.24 172.50 2cri s GLY 4 N -2.86 2.39 -0.18 7.32 0.00 -1.26 -5.17 107.32 107.57 2cri s GLY 4 Ca 0.10 -1.55 -0.25 0.00 0.00 0.00 0.00 44.72 43.02 2cri s GLY 4 CO 0.01 -1.71 0.66 -0.56 0.00 0.00 0.00 173.10 171.50 2cri s SER 5 N -3.50 -0.67 -0.23 1.64 0.01 -1.26 -5.07 113.70 104.62 2cri s SER 5 Ca 0.30 1.10 -0.13 0.00 1.31 0.00 0.00 55.95 58.53 2cri s SER 5 Cb 0.03 1.06 -0.17 0.00 0.21 0.00 0.00 66.02 67.15 2cri s SER 5 CO 0.17 -0.36 -0.06 -0.24 0.41 0.00 0.00 173.24 173.17 2cri n SER 6 N 2.07 1.95 0.00 2.44 2.88 -1.26 -5.12 113.62 116.59 2cri n SER 6 Ca -0.16 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2cri n SER 6 Cb 0.56 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2cri n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cri n GLY 7 N 1.57 -0.24 2.97 0.46 0.00 -1.26 -5.08 105.19 103.61 2cri n GLY 7 Ca -0.43 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 2cri n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cri s MET 8 N -4.86 0.13 0.30 1.61 0.00 -1.26 -5.16 119.30 110.06 2cri s MET 8 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 55.69 56.30 2cri s MET 8 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 34.83 34.64 2cri s MET 8 CO 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 175.02 174.88 2cri s ALA 9 N 1.83 2.12 0.06 3.16 0.00 -1.26 -5.06 121.76 122.61 2cri s ALA 9 Ca -0.03 -1.84 0.03 0.00 0.00 0.00 0.00 51.96 50.12 2cri s ALA 9 Cb -0.11 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 2cri s ALA 9 CO -0.07 -0.40 -0.10 -1.59 0.00 0.00 0.00 175.76 173.59 2cri s LYS 10 N -3.92 0.67 -0.89 0.00 0.00 -1.26 -5.06 119.74 109.28 2cri s LYS 10 Ca 0.35 -0.88 -0.03 0.00 0.00 0.00 0.00 55.97 55.42 2cri s LYS 10 Cb 0.07 -0.52 0.23 0.00 0.00 0.00 0.00 37.83 37.61 2cri s LYS 10 CO 0.15 0.10 2.22 1.58 0.00 0.00 0.00 175.35 179.40 2cri n HIS 11 N 1.30 2.52 -1.38 1.78 -0.00 -1.26 -4.66 115.22 113.52 2cri n HIS 11 Ca -0.21 -2.39 -0.31 0.00 0.46 0.00 0.00 57.72 55.27 2cri n HIS 11 Cb 0.55 -1.36 0.10 0.00 -0.12 0.00 0.00 29.99 29.16 2cri n HIS 11 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2cri n GLU 12 N 0.34 2.67 -3.78 1.57 1.02 -1.26 -4.93 120.64 116.27 2cri n GLU 12 Ca 0.53 -3.32 -0.13 0.00 -0.02 0.00 0.00 57.16 54.22 2cri n GLU 12 Cb 0.32 -2.25 -0.10 0.00 -0.02 0.00 0.00 31.44 29.39 2cri n GLU 12 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2cri s GLN 13 N -3.70 0.50 0.12 3.49 0.00 -1.26 -4.38 119.66 114.43 2cri s GLN 13 Ca 0.62 0.03 -0.08 0.00 -0.00 0.00 0.00 55.36 55.93 2cri s GLN 13 Cb 0.49 0.22 -0.11 0.00 0.00 0.00 0.00 33.01 33.62 2cri s GLN 13 CO 0.02 -0.11 1.31 0.97 0.00 0.00 0.00 175.29 177.47 2cri h ILE 14 N 4.28 1.33 -3.33 3.63 6.09 -1.92 -3.44 117.51 124.17 2cri h ILE 14 Ca -0.28 -2.19 -0.57 0.00 -1.37 0.00 0.00 64.86 60.45 2cri h ILE 14 Cb 1.18 2.20 -0.07 0.00 0.47 0.00 0.00 36.82 40.61 2cri h ILE 14 CO 0.37 0.67 -0.06 -0.76 -3.07 0.00 0.00 178.15 175.30 2cri s LEU 15 N -8.08 4.31 -0.52 2.19 1.43 -1.26 -4.29 118.68 112.46 2cri s LEU 15 Ca -0.08 0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 53.75 2cri s LEU 15 Cb 0.09 -2.84 0.04 0.00 0.03 0.00 0.00 46.19 43.51 2cri s LEU 15 CO 0.89 -0.01 0.93 -0.69 0.23 0.00 0.00 176.35 177.70 2cri s VAL 16 N 0.50 4.42 0.68 -1.59 1.01 -0.76 -4.94 120.40 119.73 2cri s VAL 16 Ca 0.30 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.57 2cri s VAL 16 Cb -0.16 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 31.72 2cri s VAL 16 CO 0.14 -1.02 1.07 -0.76 0.00 0.00 0.00 175.10 174.53 2cri s LEU 17 N 3.87 3.26 -0.17 3.92 1.02 -1.26 -1.23 118.68 128.08 2cri s LEU 17 Ca 0.32 1.79 -0.05 0.00 0.02 0.00 0.00 54.13 56.21 2cri s LEU 17 Cb -0.12 -4.52 0.08 0.00 0.02 0.00 0.00 46.19 41.65 2cri s LEU 17 CO 0.21 -1.53 0.33 -0.62 0.02 0.00 0.00 176.35 174.76 2cri s ASP 18 N -3.21 0.19 0.24 2.29 -1.08 0.31 -1.84 116.67 113.57 2cri s ASP 18 Ca 0.62 0.64 -0.30 0.00 -0.52 0.00 0.00 52.55 52.99 2cri s ASP 18 Cb -0.16 0.96 -0.09 0.00 -1.46 0.00 0.00 42.92 42.16 2cri s ASP 18 CO 0.48 -0.25 1.27 -2.16 0.52 0.00 0.00 175.17 175.03 2cri s PRO 19 N 2.50 4.42 0.46 4.34 0.04 -1.26 -1.56 135.00 143.94 2cri s PRO 19 Ca 0.02 2.05 0.25 0.00 0.04 0.00 0.00 61.00 63.36 2cri s PRO 19 Cb -0.13 -3.16 1.07 0.00 0.04 0.00 0.00 34.50 32.32 2cri s PRO 19 CO -0.11 -0.16 1.89 -1.00 0.04 0.00 0.00 177.00 177.67 2cri h PRO 20 N 4.61 0.00 0.00 0.56 0.13 -1.74 -3.36 132.00 132.19 2cri h PRO 20 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2cri h PRO 20 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cri h PRO 20 CO 0.72 0.20 0.00 0.43 -0.23 0.00 0.00 178.00 179.12 2cri n SER 21 N -3.45 0.00 -3.90 1.44 7.64 -1.26 -4.91 113.62 109.18 2cri n SER 21 Ca -0.00 0.15 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 2cri n SER 21 Cb 0.38 -0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.31 2cri n SER 21 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cri s ASP 22 N -1.75 0.12 -0.39 6.43 1.01 -1.26 -4.51 116.67 116.31 2cri s ASP 22 Ca 0.00 -0.41 -0.18 0.00 0.71 0.00 0.00 52.55 52.67 2cri s ASP 22 Cb 0.00 0.22 0.01 0.00 1.01 0.00 0.00 42.92 44.16 2cri s ASP 22 CO 0.00 -0.46 0.51 -0.22 0.21 0.00 0.00 175.17 175.22 2cri s LEU 23 N -1.84 4.53 0.01 1.23 2.96 -0.96 -4.57 118.68 120.04 2cri s LEU 23 Ca -0.09 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.37 2cri s LEU 23 Cb -0.04 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 44.05 2cri s LEU 23 CO -0.02 -0.57 0.45 -0.54 -1.32 0.00 0.00 176.35 174.35 2cri s LYS 24 N 2.40 4.01 -0.21 1.98 1.02 -1.26 -0.58 119.74 127.10 2cri s LYS 24 Ca 0.17 0.49 -0.03 0.00 0.02 0.00 0.00 55.97 56.62 2cri s LYS 24 Cb -0.16 -3.24 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2cri s LYS 24 CO 0.15 0.64 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.08 2cri s PHE 25 N -0.96 2.91 -0.24 3.18 0.40 0.31 -4.92 117.98 118.65 2cri s PHE 25 Ca 0.25 -1.07 -0.24 0.00 -0.60 0.00 0.00 56.93 55.27 2cri s PHE 25 Cb -0.17 -2.05 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 2cri s PHE 25 CO 0.14 -0.58 0.79 0.21 0.70 0.00 0.00 175.22 176.48 2cri s LYS 26 N 1.36 4.18 0.00 0.44 2.20 -1.26 -1.78 119.74 124.88 2cri s LYS 26 Ca 0.04 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 2cri s LYS 26 Cb -0.14 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2cri s LYS 26 CO -0.05 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 2cri n GLY 27 N 3.79 -2.85 3.77 5.54 0.00 -1.21 -4.86 105.19 109.37 2cri n GLY 27 Ca 0.04 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 2.40 -0.28 1.61 0.04 -1.26 -4.77 135.00 132.73 2cri s PRO 28 Ca 0.00 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2cri s PRO 28 Cb 0.00 -1.91 0.40 0.00 0.04 0.00 0.00 34.50 33.03 2cri s PRO 28 CO 0.00 -1.54 1.59 1.19 0.04 0.00 0.00 177.00 178.27 2cri n PHE 29 N -3.23 1.87 0.56 0.56 3.72 -1.26 -3.92 117.46 115.77 2cri n PHE 29 Ca 0.09 -1.38 0.07 0.00 -0.05 0.00 0.00 57.45 56.19 2cri n PHE 29 Cb 0.53 -0.70 0.07 0.00 -0.94 0.00 0.00 39.48 38.43 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 -0.47 0.05 -4.05 4.37 5.66 -1.26 -3.13 114.28 115.46 2cri n THR 30 Ca 0.37 -0.53 -0.14 0.00 -3.05 0.00 0.00 64.05 60.70 2cri n THR 30 Cb 1.18 1.26 -0.03 0.00 -1.55 0.00 0.00 70.33 71.18 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 -1.19 0.82 -0.07 1.09 2.15 -1.25 -4.91 116.67 113.30 2cri s ASP 31 Ca 0.18 -1.45 -0.29 0.00 0.43 0.00 0.00 52.55 51.41 2cri s ASP 31 Cb 0.12 0.70 -0.06 0.00 -0.30 0.00 0.00 42.92 43.38 2cri s ASP 31 CO 0.18 -1.36 1.77 -0.69 -0.17 0.00 0.00 175.17 174.90 2cri s VAL 32 N -2.92 3.42 0.07 1.11 1.01 -1.26 -3.50 120.40 118.34 2cri s VAL 32 Ca 0.28 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.71 2cri s VAL 32 Cb -0.01 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 2cri s VAL 32 CO 0.19 -0.08 0.32 -0.69 0.00 0.00 0.00 175.10 174.84 2cri s VAL 33 N 4.67 5.23 -0.21 2.92 1.01 -0.38 -4.95 120.40 128.69 2cri s VAL 33 Ca 0.79 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.87 2cri s VAL 33 Cb -0.34 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2cri s VAL 33 CO 0.33 0.21 -0.09 -0.89 0.00 0.00 0.00 175.10 174.66 2cri s THR 34 N -1.47 1.64 -0.15 3.92 2.01 -1.26 -0.50 115.64 119.82 2cri s THR 34 Ca 0.34 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2cri s THR 34 Cb -0.13 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.63 2cri s THR 34 CO 0.21 0.09 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.14 2cri s THR 35 N 1.38 2.23 -0.11 -0.82 2.01 -0.32 -4.96 115.64 115.05 2cri s THR 35 Ca -0.03 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 60.89 2cri s THR 35 Cb -0.17 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 2cri s THR 35 CO -0.07 0.54 0.43 0.20 -0.69 0.00 0.00 174.62 175.02 2cri s ASN 36 N 0.93 6.66 -0.32 3.53 -0.87 -1.26 -0.60 114.94 123.00 2cri s ASN 36 Ca -0.04 0.78 -0.05 0.00 -1.57 0.00 0.00 52.86 51.98 2cri s ASN 36 Cb -0.15 -2.26 0.04 0.00 -0.02 0.00 0.00 41.25 38.86 2cri s ASN 36 CO -0.04 0.07 0.07 -0.22 -2.57 0.00 0.00 177.10 174.41 2cri s LEU 37 N 0.34 4.11 0.08 0.60 0.20 -0.69 -4.89 118.68 118.42 2cri s LEU 37 Ca 0.24 -1.12 -0.30 0.00 0.69 0.00 0.00 54.13 53.63 2cri s LEU 37 Cb -0.15 -1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 2cri s LEU 37 CO 0.10 -0.29 0.98 -0.54 -0.29 0.00 0.00 176.35 176.31 2cri s LYS 38 N 1.37 4.65 -0.27 1.98 1.02 -0.60 -2.15 119.74 125.74 2cri s LYS 38 Ca -0.02 1.46 0.01 0.00 0.02 0.00 0.00 55.97 57.44 2cri s LYS 38 Cb -0.19 -3.39 0.08 0.00 -0.52 0.00 0.00 37.83 33.80 2cri s LYS 38 CO 0.01 0.13 -0.00 -0.51 -0.92 0.00 0.00 175.35 174.06 2cri s LEU 39 N 0.27 2.93 0.41 3.17 1.43 -0.36 -0.53 118.68 126.00 2cri s LEU 39 Ca 0.49 -1.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.03 2cri s LEU 39 Cb -0.23 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.73 2cri s LEU 39 CO 0.30 -0.30 0.76 -1.58 0.23 0.00 0.00 176.35 175.76 2cri s GLN 40 N 1.35 3.73 -0.32 1.70 0.74 -0.37 -1.98 119.66 124.51 2cri s GLN 40 Ca 0.01 0.40 -0.01 0.00 0.05 0.00 0.00 55.36 55.80 2cri s GLN 40 Cb -0.19 -2.40 0.10 0.00 1.10 0.00 0.00 33.01 31.63 2cri s GLN 40 CO -0.10 -0.06 0.12 1.21 -0.55 0.00 0.00 175.29 175.91 2cri s ASN 41 N -3.33 3.82 0.25 6.67 3.84 -1.13 -1.82 114.94 123.24 2cri s ASN 41 Ca 0.50 -1.64 0.02 0.00 0.21 0.00 0.00 52.86 51.95 2cri s ASN 41 Cb -0.10 -0.71 0.29 0.00 -0.55 0.00 0.00 41.25 40.18 2cri s ASN 41 CO 0.34 -0.41 1.62 1.55 -2.79 0.00 0.00 177.10 177.41 2cri h PRO 42 N 8.03 0.41 -7.20 0.43 0.13 -1.91 -2.52 132.00 129.36 2cri h PRO 42 Ca -0.13 -0.22 -0.53 0.00 -0.87 0.00 0.00 66.00 64.25 2cri h PRO 42 Cb 1.01 0.01 0.16 0.00 0.13 0.00 0.00 31.00 32.30 2cri h PRO 42 CO 0.45 0.78 0.35 -1.54 -0.23 0.00 0.00 178.00 177.82 2cri s SER 43 N -6.87 3.99 -0.33 1.44 1.04 -1.26 -4.75 113.70 106.96 2cri s SER 43 Ca -0.06 2.28 0.10 0.00 0.48 0.00 0.00 55.95 58.74 2cri s SER 43 Cb 0.13 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.38 2cri s SER 43 CO 0.80 -2.39 1.78 0.47 0.98 0.00 0.00 173.24 174.88 2cri n ASP 44 N -3.06 4.54 -3.93 7.02 8.00 -1.26 -3.11 116.55 124.75 2cri n ASP 44 Ca 0.13 -3.29 -0.12 0.00 0.71 0.00 0.00 54.79 52.21 2cri n ASP 44 Cb 0.51 -0.74 -0.13 0.00 -0.02 0.00 0.00 41.12 40.74 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 -3.04 0.21 0.56 -1.24 1.70 -1.26 -4.84 118.95 111.04 2cri s ARG 45 Ca 0.54 -0.26 -0.18 0.00 -0.47 0.00 0.00 55.73 55.37 2cri s ARG 45 Cb 0.44 -0.09 -0.11 0.00 -0.57 0.00 0.00 34.95 34.62 2cri s ARG 45 CO 0.12 0.02 0.25 1.63 -1.08 0.00 0.00 175.30 176.24 2cri n LYS 46 N 2.55 0.29 -3.68 3.89 5.02 -1.26 -4.49 118.16 120.49 2cri n LYS 46 Ca -0.16 0.12 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 2cri n LYS 46 Cb 0.58 -1.42 -0.14 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.84 -0.32 0.01 -0.18 1.01 -1.22 -2.49 120.40 115.36 2cri s VAL 47 Ca 0.63 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 2cri s VAL 47 Cb -0.45 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2cri s VAL 47 CO 0.60 0.11 0.82 0.00 0.00 0.00 0.00 175.10 176.63 2cri s PHE 49 N 0.48 1.44 -0.07 0.00 -0.12 -0.48 -1.31 117.98 117.92 2cri s PHE 49 Ca 0.43 -0.39 -0.00 0.00 -0.05 0.00 0.00 56.93 56.92 2cri s PHE 49 Cb -0.20 -0.84 0.02 0.00 -0.63 0.00 0.00 43.02 41.38 2cri s PHE 49 CO 0.24 0.08 -0.04 0.15 -0.05 0.00 0.00 175.22 175.59 2cri s LYS 50 N -1.36 0.98 -0.25 1.99 1.02 -0.88 -2.54 119.74 118.70 2cri s LYS 50 Ca 0.03 -0.09 -0.20 0.00 0.02 0.00 0.00 55.97 55.73 2cri s LYS 50 Cb -0.09 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.10 2cri s LYS 50 CO 0.02 -0.19 0.64 0.08 -0.92 0.00 0.00 175.35 174.97 2cri s VAL 51 N 1.46 4.98 -0.10 3.17 1.01 -1.00 -2.57 120.40 127.35 2cri s VAL 51 Ca -0.02 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 2cri s VAL 51 Cb -0.13 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.33 2cri s VAL 51 CO -0.03 0.03 -0.06 -0.54 0.00 0.00 0.00 175.10 174.49 2cri s LYS 52 N 2.45 1.36 0.02 2.72 1.02 -1.15 -4.91 119.74 121.25 2cri s LYS 52 Ca 0.27 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 56.08 2cri s LYS 52 Cb -0.16 -1.46 -0.01 0.00 -0.52 0.00 0.00 37.83 35.68 2cri s LYS 52 CO 0.09 -0.26 -0.06 -0.08 -0.92 0.00 0.00 175.35 174.11 2cri s THR 53 N 1.69 0.47 -1.31 2.17 -1.32 -1.26 -2.65 115.64 113.44 2cri s THR 53 Ca 0.04 -0.62 0.08 0.00 -1.21 0.00 0.00 61.69 59.98 2cri s THR 53 Cb -0.13 -0.47 0.12 0.00 -1.51 0.00 0.00 72.50 70.52 2cri s THR 53 CO -0.07 -0.12 1.17 0.35 -2.21 0.00 0.00 174.62 173.74 2cri n THR 54 N 2.26 1.01 -3.55 5.08 -2.24 -1.23 -3.94 114.28 111.67 2cri n THR 54 Ca -0.17 0.25 -0.39 0.00 -2.27 0.00 0.00 64.05 61.47 2cri n THR 54 Cb 0.57 -1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 67.63 2cri n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cri s ALA 55 N -2.69 4.27 0.11 6.98 0.00 -1.26 -4.89 121.76 124.29 2cri s ALA 55 Ca 0.07 -3.73 -0.13 0.00 0.00 0.00 0.00 51.96 48.16 2cri s ALA 55 Cb 0.05 -3.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 2cri s ALA 55 CO 0.13 -2.17 1.44 -1.00 0.00 0.00 0.00 175.76 174.16 2cri h PRO 56 N 6.44 0.79 0.05 0.00 0.13 -1.76 -1.74 132.00 135.90 2cri h PRO 56 Ca 0.14 -0.41 -0.37 0.00 -0.87 0.00 0.00 66.00 64.49 2cri h PRO 56 Cb 0.86 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.96 2cri h PRO 56 CO 0.87 1.04 -2.10 -2.13 -0.23 0.00 0.00 178.00 175.45 2cri n ARG 57 N -4.19 0.67 -0.08 0.86 0.63 -1.26 -4.32 116.66 108.96 2cri n ARG 57 Ca -0.03 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 2cri n ARG 57 Cb 0.50 -1.63 0.29 0.00 0.45 0.00 0.00 32.46 32.07 2cri n ARG 57 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cri h ARG 58 N -0.31 0.70 -5.22 -0.14 2.47 -1.95 -3.41 114.38 106.52 2cri h ARG 58 Ca -0.50 -0.10 -0.68 0.00 -1.26 0.00 0.00 59.98 57.44 2cri h ARG 58 Cb 1.80 -0.13 -0.34 0.00 -1.65 0.00 0.00 29.97 29.65 2cri h ARG 58 CO -0.10 0.58 -0.87 0.71 0.56 0.00 0.00 179.97 180.85 2cri s TYR 59 N -5.33 2.66 -0.27 3.04 1.51 -0.65 -1.98 117.35 116.32 2cri s TYR 59 Ca -0.09 -1.30 -0.01 0.00 -1.01 0.00 0.00 57.07 54.66 2cri s TYR 59 Cb 0.16 -1.80 0.04 0.00 -0.11 0.00 0.00 41.96 40.25 2cri s TYR 59 CO 0.77 -0.58 -0.05 0.00 -1.11 0.00 0.00 175.55 174.58 2cri s VAL 61 N 1.26 3.95 -0.14 0.00 1.01 -1.26 0.20 120.40 125.42 2cri s VAL 61 Ca -0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 2cri s VAL 61 Cb -0.18 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.52 2cri s VAL 61 CO -0.03 0.49 0.30 -0.13 0.00 0.00 0.00 175.10 175.72 2cri s ARG 62 N 0.42 0.22 0.61 2.72 3.00 -0.24 -3.10 118.95 122.58 2cri s ARG 62 Ca -0.03 0.73 -0.17 0.00 0.00 0.00 0.00 55.73 56.27 2cri s ARG 62 Cb -0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 34.95 34.78 2cri s ARG 62 CO 0.03 -0.23 1.12 -1.25 0.00 0.00 0.00 175.30 174.96 2cri s PRO 63 N 2.01 3.02 0.00 3.54 0.04 -1.26 -1.19 135.00 141.15 2cri s PRO 63 Ca -0.03 1.48 0.29 0.00 0.04 0.00 0.00 61.00 62.78 2cri s PRO 63 Cb -0.11 -1.97 1.32 0.00 0.04 0.00 0.00 34.50 33.78 2cri s PRO 63 CO -0.10 -1.09 1.95 0.27 0.04 0.00 0.00 177.00 178.07 2cri n ASN 64 N -1.97 0.07 -3.62 6.66 0.23 -1.18 -4.86 115.26 110.59 2cri n ASN 64 Ca 0.11 0.09 -0.03 0.00 -0.53 0.00 0.00 54.58 54.21 2cri n ASN 64 Cb 0.52 -0.33 -0.01 0.00 -2.08 0.00 0.00 39.78 37.87 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 -2.77 -0.17 0.00 0.53 1.04 -1.26 -2.37 113.70 108.70 2cri s SER 65 Ca 0.21 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.51 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 0.51 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2cri n GLY 66 N -0.33 -1.22 3.37 7.32 0.00 -1.05 -5.05 105.19 108.23 2cri n GLY 66 Ca -0.06 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.93 2.49 -0.36 -0.61 1.01 -1.26 -1.38 121.20 118.16 2cri s ILE 67 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 2cri s ILE 67 Cb 0.00 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2cri s ILE 67 CO 0.00 0.58 0.23 -0.63 0.00 0.00 0.00 174.94 175.12 2cri s ILE 68 N -0.51 4.98 0.44 2.92 1.01 -0.68 -4.95 121.20 124.40 2cri s ILE 68 Ca 0.07 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 60.00 2cri s ILE 68 Cb -0.11 -3.64 -0.11 0.00 0.01 0.00 0.00 42.46 38.60 2cri s ILE 68 CO 0.01 -0.10 0.79 0.47 0.00 0.00 0.00 174.94 176.10 2cri n ASP 69 N 5.07 0.22 -4.65 3.58 8.00 -1.26 -3.44 116.55 124.07 2cri n ASP 69 Ca -0.12 0.95 -0.43 0.00 0.71 0.00 0.00 54.79 55.90 2cri n ASP 69 Cb 0.48 -1.25 -0.03 0.00 -0.02 0.00 0.00 41.12 40.31 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 -1.89 4.05 0.00 -0.24 0.04 -1.26 -2.75 135.00 132.94 2cri s PRO 70 Ca 0.65 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2cri s PRO 70 Cb -0.56 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.02 2cri s PRO 70 CO 0.56 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2cri n GLY 71 N 4.21 0.83 3.23 0.56 0.00 -0.95 -4.87 105.19 108.20 2cri n GLY 71 Ca 0.17 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.66 0.60 -0.06 1.61 0.01 -1.11 -4.98 113.70 107.10 2cri s SER 72 Ca 0.00 -1.33 0.05 0.00 1.31 0.00 0.00 55.95 55.98 2cri s SER 72 Cb 0.00 0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 2cri s SER 72 CO 0.00 -0.75 -0.22 -0.63 0.41 0.00 0.00 173.24 172.05 2cri s ILE 73 N -3.96 1.80 -0.12 1.44 1.01 -1.26 -2.83 121.20 117.29 2cri s ILE 73 Ca 0.34 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2cri s ILE 73 Cb 0.07 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 2cri s ILE 73 CO 0.09 0.51 -0.12 -0.69 0.00 0.00 0.00 174.94 174.73 2cri s VAL 74 N 0.03 3.20 -0.47 2.92 1.01 -0.84 -4.92 120.40 121.33 2cri s VAL 74 Ca -0.07 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 2cri s VAL 74 Cb -0.14 -2.34 0.11 0.00 0.00 0.00 0.00 36.38 34.02 2cri s VAL 74 CO 0.04 0.54 0.36 -0.89 0.00 0.00 0.00 175.10 175.14 2cri s THR 75 N 0.09 4.42 0.25 3.92 2.01 -1.26 -1.22 115.64 123.85 2cri s THR 75 Ca -0.05 -1.64 -0.23 0.00 0.31 0.00 0.00 61.69 60.09 2cri s THR 75 Cb -0.14 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 2cri s THR 75 CO 0.04 -0.73 0.81 -0.69 -0.69 0.00 0.00 174.62 173.35 2cri s VAL 76 N 1.42 4.41 -0.45 3.82 1.01 -0.91 -4.86 120.40 124.84 2cri s VAL 76 Ca 0.05 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.36 2cri s VAL 76 Cb -0.26 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.19 2cri s VAL 76 CO 0.01 0.24 0.65 -0.44 0.00 0.00 0.00 175.10 175.56 2cri s SER 77 N -1.55 6.31 -0.57 3.32 0.01 -0.33 -1.71 113.70 119.17 2cri s SER 77 Ca 0.44 -0.41 -0.06 0.00 1.31 0.00 0.00 55.95 57.23 2cri s SER 77 Cb -0.18 -2.32 0.15 0.00 0.21 0.00 0.00 66.02 63.88 2cri s SER 77 CO 0.23 -0.81 0.42 -0.69 0.41 0.00 0.00 173.24 172.80 2cri s VAL 78 N 2.84 4.02 0.10 3.43 1.01 0.23 -1.07 120.40 130.95 2cri s VAL 78 Ca 0.22 -2.44 -0.27 0.00 0.00 0.00 0.00 61.98 59.49 2cri s VAL 78 Cb -0.15 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 2cri s VAL 78 CO 0.18 -0.84 0.86 -0.04 0.00 0.00 0.00 175.10 175.26 2cri s MET 79 N 0.54 4.61 -0.23 2.72 -1.94 0.13 -1.18 119.30 123.95 2cri s MET 79 Ca 0.13 1.26 0.02 0.00 -1.71 0.00 0.00 55.69 55.39 2cri s MET 79 Cb -0.21 -3.35 0.05 0.00 2.01 0.00 0.00 34.83 33.33 2cri s MET 79 CO -0.04 0.30 -0.12 -1.17 -0.01 0.00 0.00 175.02 173.98 2cri s LEU 80 N -0.21 2.90 0.41 -0.03 1.98 0.34 -0.33 118.68 123.74 2cri s LEU 80 Ca 0.42 -1.14 -0.25 0.00 -2.89 0.00 0.00 54.13 50.27 2cri s LEU 80 Cb -0.22 -1.45 -0.08 0.00 0.66 0.00 0.00 46.19 45.10 2cri s LEU 80 CO 0.27 -0.15 1.20 -1.10 -1.89 0.00 0.00 176.35 174.67 2cri s GLN 81 N 1.22 3.99 0.37 1.98 1.11 -0.84 -1.25 119.66 126.24 2cri s GLN 81 Ca -0.05 1.89 -0.27 0.00 0.01 0.00 0.00 55.36 56.95 2cri s GLN 81 Cb -0.18 -2.65 -0.09 0.00 -1.01 0.00 0.00 33.01 29.08 2cri s GLN 81 CO -0.07 -0.39 1.20 -1.25 0.01 0.00 0.00 175.29 174.79 2cri s PRO 82 N -2.34 4.20 0.17 2.91 0.04 -1.23 -4.92 135.00 133.83 2cri s PRO 82 Ca 0.58 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 63.41 2cri s PRO 82 Cb -0.32 -2.85 0.03 0.00 0.04 0.00 0.00 34.50 31.40 2cri s PRO 82 CO 0.40 -0.23 0.47 -0.59 0.04 0.00 0.00 177.00 177.09 2cri s PHE 83 N -1.30 -0.14 -0.35 0.56 -0.12 -1.18 -4.95 117.98 110.50 2cri s PHE 83 Ca 0.53 -0.19 -0.28 0.00 -0.05 0.00 0.00 56.93 56.95 2cri s PHE 83 Cb -0.34 0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 42.32 2cri s PHE 83 CO 0.43 -0.83 2.31 -0.25 -0.05 0.00 0.00 175.22 176.84 2cri n ASP 84 N -0.30 2.78 -4.50 1.98 8.00 -1.26 -4.84 116.55 118.42 2cri n ASP 84 Ca -0.12 -0.09 -0.50 0.00 0.71 0.00 0.00 54.79 54.78 2cri n ASP 84 Cb 0.63 -1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 40.11 2cri n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cri n TYR 85 N 13.43 1.73 -3.53 1.24 9.36 -1.26 -4.90 117.16 133.23 2cri n TYR 85 Ca 0.34 0.24 -0.41 0.00 3.32 0.00 0.00 57.90 61.38 2cri n TYR 85 Cb 0.48 -2.55 -0.06 0.00 -0.63 0.00 0.00 39.34 36.57 2cri n TYR 85 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2cri s ASP 86 N 6.82 5.92 0.04 2.98 1.47 -1.26 -4.92 116.67 127.72 2cri s ASP 86 Ca 1.07 -2.61 -0.20 0.00 1.18 0.00 0.00 52.55 51.98 2cri s ASP 86 Cb -0.82 -2.03 -0.14 0.00 -0.34 0.00 0.00 42.92 39.59 2cri s ASP 86 CO 0.49 -0.51 1.34 1.55 0.68 0.00 0.00 175.17 178.72 2cri h PRO 87 N 7.60 0.35 0.00 2.11 0.13 -2.00 -3.38 132.00 136.81 2cri h PRO 87 Ca -0.01 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2cri h PRO 87 Cb 1.01 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2cri h PRO 87 CO 0.76 0.73 0.00 0.09 -0.23 0.00 0.00 178.00 179.36 2cri n ASN 88 N -4.56 0.93 -4.41 1.44 3.02 -1.26 -4.79 115.26 105.63 2cri n ASN 88 Ca -0.06 -1.44 -0.45 0.00 -0.03 0.00 0.00 54.58 52.60 2cri n ASN 88 Cb 0.36 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.52 2cri n ASN 88 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2cri s GLU 89 N -0.44 3.97 -1.50 3.52 0.41 -1.26 -4.64 118.70 118.75 2cri s GLU 89 Ca 0.00 -2.59 -0.04 0.00 -0.41 0.00 0.00 54.97 51.94 2cri s GLU 89 Cb 0.00 -4.82 0.01 0.00 -1.78 0.00 0.00 34.13 27.53 2cri s GLU 89 CO 0.00 -1.57 0.07 1.63 -0.49 0.00 0.00 175.26 174.90 2cri n LYS 90 N 4.82 -0.86 -2.26 1.61 4.01 -1.26 -4.84 118.16 119.38 2cri n LYS 90 Ca 0.28 0.08 -0.40 0.00 -0.51 0.00 0.00 58.31 57.76 2cri n LYS 90 Cb 0.44 -3.42 -0.03 0.00 -0.51 0.00 0.00 35.03 31.50 2cri n LYS 90 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2cri s SER 91 N -4.29 6.94 -0.19 4.39 1.04 -1.26 -5.04 113.70 115.30 2cri s SER 91 Ca 0.05 2.51 -0.12 0.00 0.48 0.00 0.00 55.95 58.87 2cri s SER 91 Cb -0.03 -2.64 0.06 0.00 0.10 0.00 0.00 66.02 63.51 2cri s SER 91 CO 0.99 -0.40 0.47 -0.54 0.98 0.00 0.00 173.24 174.74 2cri s LYS 92 N -1.70 0.48 -0.29 4.02 1.02 -1.26 -5.10 119.74 116.91 2cri s LYS 92 Ca 0.48 0.84 -0.16 0.00 0.02 0.00 0.00 55.97 57.15 2cri s LYS 92 Cb -0.36 0.06 0.13 0.00 -0.52 0.00 0.00 37.83 37.14 2cri s LYS 92 CO 0.48 -0.14 0.89 -3.38 -0.92 0.00 0.00 175.35 172.27 2cri s HIS 93 N 1.23 -0.73 0.00 3.18 -3.43 -1.26 -5.10 115.29 109.17 2cri s HIS 93 Ca -0.08 1.45 -0.01 0.00 -0.80 0.00 0.00 55.06 55.62 2cri s HIS 93 Cb -0.07 0.44 -0.01 0.00 -1.43 0.00 0.00 32.58 31.51 2cri s HIS 93 CO -0.12 -0.36 0.01 0.21 -2.00 0.00 0.00 174.74 172.48 2cri s LYS 94 N 1.53 0.19 -0.25 -0.38 2.20 -1.26 -4.72 119.74 117.04 2cri s LYS 94 Ca -0.09 -0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2cri s LYS 94 Cb -0.04 0.07 0.13 0.00 -1.51 0.00 0.00 37.83 36.48 2cri s LYS 94 CO -0.17 -0.03 0.34 0.12 -0.36 0.00 0.00 175.35 175.25 2cri s PHE 95 N -0.74 -0.68 0.21 4.03 5.36 -0.88 -3.53 117.98 121.75 2cri s PHE 95 Ca -0.08 0.45 0.09 0.00 -0.96 0.00 0.00 56.93 56.43 2cri s PHE 95 Cb -0.05 -0.17 -0.04 0.00 -0.34 0.00 0.00 43.02 42.42 2cri s PHE 95 CO -0.00 -0.78 -0.08 0.00 -1.46 0.00 0.00 175.22 172.90 2cri s MET 96 N 2.47 2.08 0.00 10.12 0.23 -1.08 0.54 119.30 133.66 2cri s MET 96 Ca 0.10 -1.34 0.01 0.00 -1.03 0.00 0.00 55.69 53.43 2cri s MET 96 Cb -0.15 -2.13 -0.00 0.00 -1.53 0.00 0.00 34.83 31.02 2cri s MET 96 CO -0.21 0.41 -0.03 0.08 -2.03 0.00 0.00 175.02 173.24 2cri s VAL 97 N -1.90 0.26 0.05 5.16 1.01 -0.10 -2.95 120.40 121.93 2cri s VAL 97 Ca 0.27 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2cri s VAL 97 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2cri s VAL 97 CO 0.16 0.02 -0.15 -1.58 0.00 0.00 0.00 175.10 173.55 2cri s GLN 98 N -0.22 2.15 -0.17 2.72 0.74 -1.06 0.38 119.66 124.19 2cri s GLN 98 Ca -0.00 -0.95 -0.05 0.00 0.05 0.00 0.00 55.36 54.40 2cri s GLN 98 Cb -0.02 -2.26 0.08 0.00 1.10 0.00 0.00 33.01 31.91 2cri s GLN 98 CO -0.00 0.54 0.31 0.95 -0.55 0.00 0.00 175.29 176.54 2cri s THR 99 N -1.00 -0.48 0.00 -0.34 -4.23 -0.12 -2.07 115.64 107.40 2cri s THR 99 Ca 0.16 0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2cri s THR 99 Cb -0.11 -0.56 -0.01 0.00 1.34 0.00 0.00 72.50 73.16 2cri s THR 99 CO 0.07 0.04 -0.08 -0.51 -0.54 0.00 0.00 174.62 173.60 2cri s ILE 100 N 2.47 0.65 0.61 2.99 2.07 -0.43 -3.61 121.20 125.96 2cri s ILE 100 Ca 0.03 -0.47 -0.18 0.00 -1.41 0.00 0.00 60.65 58.61 2cri s ILE 100 Cb -0.13 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 2cri s ILE 100 CO -0.11 0.10 1.09 0.49 -1.91 0.00 0.00 174.94 174.60 2cri n PHE 101 N 2.66 1.24 -3.41 3.50 3.01 -1.26 -0.99 117.46 122.22 2cri n PHE 101 Ca -0.15 0.43 -0.38 0.00 1.01 0.00 0.00 57.45 58.36 2cri n PHE 101 Cb 0.57 -2.19 -0.06 0.00 -0.01 0.00 0.00 39.48 37.79 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 -1.46 3.64 0.80 4.37 0.00 -1.04 -4.68 121.76 123.40 2cri s ALA 102 Ca 0.78 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 2cri s ALA 102 Cb -0.41 -2.50 0.08 0.00 0.00 0.00 0.00 23.12 20.29 2cri s ALA 102 CO 0.45 0.40 1.09 -1.25 0.00 0.00 0.00 175.76 176.46 2cri s PRO 103 N -0.91 2.00 0.11 0.00 0.04 -1.26 -4.90 135.00 130.07 2cri s PRO 103 Ca 0.26 1.08 0.18 0.00 0.04 0.00 0.00 61.00 62.56 2cri s PRO 103 Cb -0.17 -1.87 0.76 0.00 0.04 0.00 0.00 34.50 33.25 2cri s PRO 103 CO 0.15 -1.80 1.56 -0.35 0.04 0.00 0.00 177.00 176.60 2cri n PRO 104 N -3.62 0.08 -0.68 0.56 -0.04 -1.26 -2.55 135.00 127.49 2cri n PRO 104 Ca 0.09 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 63.93 2cri n PRO 104 Cb 0.54 -1.65 0.13 0.00 -0.04 0.00 0.00 33.50 32.48 2cri n PRO 104 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2cri n ASN 105 N -1.80 1.53 -4.53 3.54 0.23 -1.26 -5.04 115.26 107.93 2cri n ASN 105 Ca 0.03 -3.15 -0.38 0.00 -0.53 0.00 0.00 54.58 50.56 2cri n ASN 105 Cb 0.19 -0.43 -0.09 0.00 -2.08 0.00 0.00 39.78 37.37 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 -0.73 -0.05 -0.09 1.53 3.06 -1.06 -4.75 119.36 117.28 2cri n ILE 106 Ca 0.14 -0.43 -0.13 0.00 -2.50 0.00 0.00 62.75 59.83 2cri n ILE 106 Cb 0.78 -1.70 -0.05 0.00 0.54 0.00 0.00 39.64 39.22 2cri n ILE 106 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2cri n SER 107 N 13.36 1.87 -4.07 9.51 7.64 -1.26 -4.96 113.62 135.72 2cri n SER 107 Ca 0.51 0.48 -0.26 0.00 1.01 0.00 0.00 58.87 60.60 2cri n SER 107 Cb 0.30 -0.85 -0.17 0.00 -1.01 0.00 0.00 64.21 62.49 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 -6.24 2.06 0.19 6.43 2.15 -1.26 -5.04 116.67 114.96 2cri s ASP 108 Ca -0.24 -0.36 -0.17 0.00 0.43 0.00 0.00 52.55 52.21 2cri s ASP 108 Cb 0.05 -0.94 0.17 0.00 -0.30 0.00 0.00 42.92 41.89 2cri s ASP 108 CO 0.38 0.06 1.61 0.24 -0.17 0.00 0.00 175.17 177.30 2cri h MET 109 N 6.90 -0.09 -0.94 4.34 2.86 -2.00 0.15 114.93 126.14 2cri h MET 109 Ca -0.28 0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.58 2cri h MET 109 Cb 1.20 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.76 2cri h MET 109 CO 0.47 -0.06 0.50 0.93 1.06 0.00 0.00 176.91 179.81 2cri h GLU 110 N -0.10 0.52 -0.85 1.72 5.08 -1.99 0.21 114.58 119.17 2cri h GLU 110 Ca 0.25 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2cri h GLU 110 Cb 0.50 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2cri h GLU 110 CO -0.62 0.34 0.41 0.00 -1.00 0.00 0.00 179.01 178.14 2cri h ALA 111 N 1.69 1.10 0.65 3.43 0.00 -1.13 0.12 119.26 125.12 2cri h ALA 111 Ca 0.58 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2cri h ALA 111 Cb 1.05 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.51 2cri h ALA 111 CO -0.47 0.67 -0.31 0.28 0.00 0.00 0.00 179.25 179.41 2cri h VAL 112 N 1.22 0.16 -0.51 0.00 2.07 -0.11 -0.78 116.25 118.29 2cri h VAL 112 Ca 0.29 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2cri h VAL 112 Cb 0.12 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2cri h VAL 112 CO -0.04 0.02 0.34 -0.50 0.02 0.00 0.00 177.57 177.41 2cri h TRP 113 N -1.14 0.56 0.41 1.57 4.06 -1.23 0.27 115.95 120.43 2cri h TRP 113 Ca -0.09 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 2cri h TRP 113 Cb 0.70 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 2cri h TRP 113 CO 0.00 0.33 -0.20 0.87 -3.56 0.00 0.00 178.44 175.88 2cri h LYS 114 N 0.58 -0.53 -0.17 0.49 1.57 -0.70 -3.13 116.57 114.67 2cri h LYS 114 Ca 0.20 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 2cri h LYS 114 Cb 0.10 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2cri h LYS 114 CO -0.05 -0.23 -0.18 0.93 -0.57 0.00 0.00 179.45 179.34 2cri h GLU 115 N -0.82 0.29 -6.35 3.15 5.08 -0.86 -3.44 114.58 111.63 2cri h GLU 115 Ca -0.06 -0.08 -0.65 0.00 -1.00 0.00 0.00 59.36 57.57 2cri h GLU 115 Cb 0.54 -0.03 0.06 0.00 0.50 0.00 0.00 28.75 29.82 2cri h GLU 115 CO 0.09 0.47 0.54 0.00 -1.00 0.00 0.00 179.01 179.11 2cri n ALA 116 N -2.48 -0.25 -2.49 3.43 0.00 0.91 -4.96 120.51 114.67 2cri n ALA 116 Ca -0.01 0.49 -0.29 0.00 0.00 0.00 0.00 53.44 53.63 2cri n ALA 116 Cb 0.32 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 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 0.49 3.67 0.00 0.00 -0.14 -1.26 -4.96 119.74 117.53 2cri s LYS 117 Ca 0.81 0.07 0.14 0.00 -1.36 0.00 0.00 55.97 55.64 2cri s LYS 117 Cb -0.86 -2.64 0.67 0.00 -1.68 0.00 0.00 37.83 33.32 2cri s LYS 117 CO 0.45 0.23 1.43 -0.35 -0.76 0.00 0.00 175.35 176.35 2cri n PRO 118 N -0.77 0.09 0.00 -1.68 -0.04 -1.26 -1.24 135.00 130.10 2cri n PRO 118 Ca -0.01 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2cri n PRO 118 Cb 0.54 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.40 1.85 0.00 3.54 8.00 -1.26 -4.26 116.55 123.01 2cri n ASP 119 Ca 0.05 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.15 2cri n ASP 119 Cb 0.14 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.08 1.17 -2.33 -1.24 1.02 -0.77 -5.01 120.64 113.39 2cri n GLU 120 Ca 0.10 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.82 2cri n GLU 120 Cb 0.45 -0.90 -0.02 0.00 -0.02 0.00 0.00 31.44 30.94 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 -2.56 4.23 -0.16 -4.62 1.43 -0.37 -4.95 118.68 111.67 2cri s LEU 121 Ca 0.00 1.84 -0.20 0.00 -1.03 0.00 0.00 54.13 54.74 2cri s LEU 121 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 2cri s LEU 121 CO 0.00 -0.77 0.59 -0.04 0.23 0.00 0.00 176.35 176.36 2cri s MET 122 N 3.36 4.27 0.15 1.70 -1.94 -1.24 -4.96 119.30 120.64 2cri s MET 122 Ca 0.59 0.59 0.11 0.00 -1.71 0.00 0.00 55.69 55.27 2cri s MET 122 Cb -0.25 -3.53 -0.04 0.00 2.01 0.00 0.00 34.83 33.02 2cri s MET 122 CO 0.19 -0.09 -0.26 0.16 -0.01 0.00 0.00 175.02 175.01 2cri s ASP 123 N 1.01 3.32 -0.16 3.03 1.47 -1.26 -0.94 116.67 123.13 2cri s ASP 123 Ca 0.29 -0.78 -0.02 0.00 1.18 0.00 0.00 52.55 53.21 2cri s ASP 123 Cb -0.16 -0.23 0.05 0.00 -0.34 0.00 0.00 42.92 42.25 2cri s ASP 123 CO 0.11 0.16 0.02 -0.44 0.68 0.00 0.00 175.17 175.70 2cri s SER 124 N -2.24 2.55 -0.48 2.11 0.01 0.16 -4.84 113.70 110.98 2cri s SER 124 Ca 0.16 -0.62 -0.27 0.00 1.31 0.00 0.00 55.95 56.53 2cri s SER 124 Cb -0.09 -0.56 0.03 0.00 0.21 0.00 0.00 66.02 65.61 2cri s SER 124 CO 0.07 -0.27 1.01 -0.75 0.41 0.00 0.00 173.24 173.71 2cri s LYS 125 N 1.89 3.59 -0.09 12.44 2.47 -1.26 -0.92 119.74 137.85 2cri s LYS 125 Ca 0.01 0.29 0.01 0.00 -1.56 0.00 0.00 55.97 54.72 2cri s LYS 125 Cb -0.16 -3.93 -0.02 0.00 -1.46 0.00 0.00 37.83 32.26 2cri s LYS 125 CO -0.07 -1.31 -0.13 -1.17 0.16 0.00 0.00 175.35 172.83 2cri s LEU 126 N 4.07 2.78 -0.13 5.43 0.20 0.19 -4.98 118.68 126.23 2cri s LEU 126 Ca 0.41 -0.24 -0.08 0.00 0.69 0.00 0.00 54.13 54.91 2cri s LEU 126 Cb -0.09 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 2cri s LEU 126 CO 0.28 0.25 0.15 -0.60 -0.29 0.00 0.00 176.35 176.14 2cri s ARG 127 N -0.16 3.62 -0.16 1.98 3.52 -1.26 -2.07 118.95 124.42 2cri s ARG 127 Ca -0.00 -0.13 -0.19 0.00 -0.13 0.00 0.00 55.73 55.28 2cri s ARG 127 Cb -0.13 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 2cri s ARG 127 CO 0.03 0.67 0.52 0.00 -0.81 0.00 0.00 175.30 175.72 2cri s VAL 129 N 1.20 4.13 -0.58 0.00 1.01 0.25 -4.98 120.40 121.43 2cri s VAL 129 Ca 0.26 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 2cri s VAL 129 Cb -0.15 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.04 2cri s VAL 129 CO 0.10 -0.07 0.97 -0.36 0.00 0.00 0.00 175.10 175.74 2cri s PHE 130 N 1.50 2.75 0.42 5.22 0.40 -1.26 -0.53 117.98 126.48 2cri s PHE 130 Ca 0.01 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.30 2cri s PHE 130 Cb -0.18 -4.14 0.01 0.00 0.51 0.00 0.00 43.02 39.21 2cri s PHE 130 CO 0.04 -1.44 0.60 -1.21 0.70 0.00 0.00 175.22 173.91 2cri s GLU 131 N 4.06 2.92 0.01 0.44 2.02 -0.73 -4.96 118.70 122.46 2cri s GLU 131 Ca 0.30 -0.91 0.05 0.00 0.02 0.00 0.00 54.97 54.43 2cri s GLU 131 Cb -0.13 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 2cri s GLU 131 CO 0.18 -0.25 -0.13 -1.64 0.02 0.00 0.00 175.26 173.44 2cri s MET 132 N -4.42 2.33 0.00 1.61 -1.94 -1.26 -3.31 119.30 112.31 2cri s MET 132 Ca 0.51 -0.83 0.16 0.00 -1.71 0.00 0.00 55.69 53.81 2cri s MET 132 Cb -0.10 -2.34 0.93 0.00 2.01 0.00 0.00 34.83 35.33 2cri s MET 132 CO 0.34 0.58 1.34 -0.35 -0.01 0.00 0.00 175.02 176.92 2cri n PRO 133 N 1.68 0.49 -0.30 2.03 -0.04 -1.26 -3.88 135.00 133.71 2cri n PRO 133 Ca -0.16 0.00 0.29 0.00 -0.04 0.00 0.00 63.50 63.59 2cri n PRO 133 Cb 0.52 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.02 2cri n PRO 133 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2cri n ASN 134 N -1.00 0.30 -4.36 3.54 5.15 -1.26 -3.76 115.26 113.87 2cri n ASN 134 Ca 0.12 1.53 -0.36 0.00 -0.60 0.00 0.00 54.58 55.27 2cri n ASN 134 Cb 0.05 -0.74 -0.13 0.00 -0.53 0.00 0.00 39.78 38.43 2cri n ASN 134 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2cri s GLU 135 N -5.43 3.40 -0.38 1.20 0.41 -1.25 -5.06 118.70 111.58 2cri s GLU 135 Ca -0.09 -0.63 0.04 0.00 -0.41 0.00 0.00 54.97 53.88 2cri s GLU 135 Cb 0.31 -3.19 0.11 0.00 -1.78 0.00 0.00 34.13 29.58 2cri s GLU 135 CO 0.72 -0.25 0.10 1.21 -0.49 0.00 0.00 175.26 176.55 2cri s ASN 136 N 1.53 4.65 0.91 -0.19 2.47 -1.25 -5.07 114.94 117.99 2cri s ASN 136 Ca 0.05 -2.34 -0.12 0.00 0.42 0.00 0.00 52.86 50.86 2cri s ASN 136 Cb -0.15 -1.61 0.14 0.00 -1.45 0.00 0.00 41.25 38.17 2cri s ASN 136 CO 0.00 -0.35 1.14 -0.62 -3.72 0.00 0.00 177.10 173.56 2cri s ASP 137 N 0.64 3.52 -0.32 -4.21 2.15 -1.26 -5.04 116.67 112.15 2cri s ASP 137 Ca 0.12 0.93 -0.05 0.00 0.43 0.00 0.00 52.55 53.98 2cri s ASP 137 Cb -0.21 -1.48 0.04 0.00 -0.30 0.00 0.00 42.92 40.97 2cri s ASP 137 CO -0.06 -2.54 0.07 -0.54 -0.17 0.00 0.00 175.17 171.93 2cri s LYS 138 N -5.32 2.64 0.08 4.34 3.01 -1.26 -5.08 119.74 118.15 2cri s LYS 138 Ca 0.64 -1.16 0.01 0.00 -1.01 0.00 0.00 55.97 54.46 2cri s LYS 138 Cb -0.14 -3.37 -0.04 0.00 -1.01 0.00 0.00 37.83 33.27 2cri s LYS 138 CO 0.53 -0.62 -0.06 -1.17 0.51 0.00 0.00 175.35 174.54 2cri s LEU 139 N 1.38 2.47 -0.48 3.17 0.20 -1.26 -4.82 118.68 119.34 2cri s LEU 139 Ca -0.02 -0.93 -0.06 0.00 0.69 0.00 0.00 54.13 53.81 2cri s LEU 139 Cb -0.19 -0.03 0.06 0.00 -0.43 0.00 0.00 46.19 45.60 2cri s LEU 139 CO 0.02 -0.45 0.15 -0.46 -0.29 0.00 0.00 176.35 175.32 2cri n ASN 140 N 0.23 -1.15 -4.55 3.68 0.23 -1.26 -4.74 115.26 107.70 2cri n ASN 140 Ca -0.14 0.03 -0.38 0.00 -0.53 0.00 0.00 54.58 53.56 2cri n ASN 140 Cb 0.60 -1.09 -0.03 0.00 -2.08 0.00 0.00 39.78 37.17 2cri n ASN 140 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2cri s ASP 141 N -2.22 4.94 -0.06 0.53 2.15 -1.26 -4.85 116.67 115.91 2cri s ASP 141 Ca 0.21 0.65 -0.31 0.00 0.43 0.00 0.00 52.55 53.53 2cri s ASP 141 Cb -0.12 -2.52 0.12 0.00 -0.30 0.00 0.00 42.92 40.10 2cri s ASP 141 CO 0.26 -2.57 1.22 -0.94 -0.17 0.00 0.00 175.17 172.96 2cri s SER 142 N 9.71 -0.11 0.00 -0.34 1.04 -1.26 -5.18 113.70 117.56 2cri s SER 142 Ca 0.80 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.12 2cri s SER 142 Cb -0.15 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2cri s SER 142 CO 0.23 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2cri n GLY 143 N -0.35 0.98 3.61 7.32 0.00 -1.26 -5.06 105.19 110.44 2cri n GLY 143 Ca -0.05 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.00 3.58 0.31 1.61 0.04 -1.26 -4.98 135.00 132.30 2cri s PRO 144 Ca 0.00 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 2cri s PRO 144 Cb 0.00 -4.10 -0.09 0.00 0.04 0.00 0.00 34.50 30.35 2cri s PRO 144 CO 0.00 -1.55 1.10 -1.54 0.04 0.00 0.00 177.00 175.04 2cri s SER 145 N 4.93 7.13 -0.08 6.66 1.04 -1.26 -5.05 113.70 127.07 2cri s SER 145 Ca 0.73 2.24 -0.14 0.00 0.48 0.00 0.00 55.95 59.26 2cri s SER 145 Cb -0.22 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.31 2cri s SER 145 CO 0.32 -0.24 0.34 -0.55 0.98 0.00 0.00 173.24 174.08 2cri s SER 146 N -1.02 -0.29 0.00 7.02 0.15 -1.26 -5.32 113.70 112.98 2cri s SER 146 Ca 0.48 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.56 2cri s SER 146 Cb -0.30 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2cri s SER 146 CO 0.39 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.16