#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 -0.05 -0.28 1.61 1.04 -1.26 -5.18 113.70 109.59 2cri s SER 2 Ca 0.00 -0.50 -0.16 0.00 0.48 0.00 0.00 55.95 55.78 2cri s SER 2 Cb 0.00 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.63 2cri s SER 2 CO 0.00 -0.83 0.68 -0.94 0.98 0.00 0.00 173.24 173.14 2cri s SER 3 N -3.26 -0.95 0.00 7.02 1.04 -1.26 -5.07 113.70 111.22 2cri s SER 3 Ca 0.19 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2cri s SER 3 Cb -0.01 1.42 0.00 0.00 0.10 0.00 0.00 66.02 67.53 2cri s SER 3 CO 0.03 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2cri n GLY 4 N 4.37 0.26 2.95 7.32 0.00 -1.26 -5.12 105.19 113.70 2cri n GLY 4 Ca -0.20 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 2cri n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cri s SER 5 N -0.00 1.78 0.05 1.61 0.15 -1.26 -5.13 113.70 110.89 2cri s SER 5 Ca 0.00 -0.26 -0.22 0.00 0.70 0.00 0.00 55.95 56.17 2cri s SER 5 Cb 0.00 -0.75 0.05 0.00 -1.71 0.00 0.00 66.02 63.61 2cri s SER 5 CO 0.00 -0.04 0.51 -0.55 1.20 0.00 0.00 173.24 174.35 2cri s SER 6 N 1.13 -0.42 0.00 5.45 0.15 -1.26 -5.14 113.70 113.62 2cri s SER 6 Ca -0.06 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2cri s SER 6 Cb -0.14 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2cri s SER 6 CO -0.01 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2cri n GLY 7 N 0.41 2.86 3.72 9.45 0.00 -1.26 -5.12 105.19 115.26 2cri n GLY 7 Ca -0.18 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2cri n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cri s MET 8 N -1.11 4.56 0.17 1.61 -2.45 -1.26 -5.05 119.30 115.77 2cri s MET 8 Ca 0.00 1.25 -0.03 0.00 -1.25 0.00 0.00 55.69 55.67 2cri s MET 8 Cb 0.00 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.63 2cri s MET 8 CO 0.00 0.11 0.14 0.00 1.05 0.00 0.00 175.02 176.31 2cri s ALA 9 N 0.50 0.82 -0.09 4.11 0.00 -1.26 -5.16 121.76 120.67 2cri s ALA 9 Ca 0.45 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 2cri s ALA 9 Cb -0.21 1.09 0.05 0.00 0.00 0.00 0.00 23.12 24.05 2cri s ALA 9 CO 0.26 -0.57 0.18 0.15 0.00 0.00 0.00 175.76 175.78 2cri s LYS 10 N -4.08 0.07 0.33 0.00 -0.14 -1.26 -5.15 119.74 109.51 2cri s LYS 10 Ca 0.29 0.56 0.03 0.00 -1.36 0.00 0.00 55.97 55.49 2cri s LYS 10 Cb 0.06 -0.21 -0.01 0.00 -1.68 0.00 0.00 37.83 36.00 2cri s LYS 10 CO 0.06 -0.27 0.38 -2.39 -0.76 0.00 0.00 175.35 172.37 2cri n HIS 11 N 5.07 -1.12 -1.90 3.18 1.44 -1.26 -5.07 115.22 115.55 2cri n HIS 11 Ca -0.10 -2.50 -0.06 0.00 -2.01 0.00 0.00 57.72 53.05 2cri n HIS 11 Cb 0.50 0.42 0.11 0.00 0.12 0.00 0.00 29.99 31.15 2cri n HIS 11 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2cri n GLU 12 N -0.59 2.26 -2.75 -1.40 1.02 -1.26 -5.06 120.64 112.86 2cri n GLU 12 Ca 0.04 -3.55 -0.40 0.00 -0.02 0.00 0.00 57.16 53.22 2cri n GLU 12 Cb 0.58 -1.75 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 2cri n GLU 12 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2cri s GLN 13 N -3.17 4.82 -0.23 3.49 0.74 -1.26 -4.93 119.66 119.12 2cri s GLN 13 Ca 0.42 1.48 0.09 0.00 0.05 0.00 0.00 55.36 57.40 2cri s GLN 13 Cb 0.38 -3.30 -0.21 0.00 1.10 0.00 0.00 33.01 30.98 2cri s GLN 13 CO -0.03 0.45 -0.07 1.51 -0.55 0.00 0.00 175.29 176.59 2cri n ILE 14 N 1.80 1.46 -3.41 -2.34 0.13 -1.26 -4.91 119.36 110.83 2cri n ILE 14 Ca -0.01 -0.70 -0.38 0.00 -1.10 0.00 0.00 62.75 60.56 2cri n ILE 14 Cb 0.48 -1.01 -0.08 0.00 -0.84 0.00 0.00 39.64 38.19 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 -6.08 4.12 0.13 9.51 1.43 -1.26 -4.44 118.68 122.09 2cri s LEU 15 Ca -0.23 0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 2cri s LEU 15 Cb 0.08 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 2cri s LEU 15 CO 0.71 -0.09 0.59 0.68 0.23 0.00 0.00 176.35 178.47 2cri s VAL 16 N 1.46 4.77 0.32 -1.59 -7.23 -1.14 -5.01 120.40 111.96 2cri s VAL 16 Ca 0.17 1.04 0.08 0.00 -1.81 0.00 0.00 61.98 61.46 2cri s VAL 16 Cb -0.15 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.94 2cri s VAL 16 CO 0.08 0.34 0.19 -0.76 -0.31 0.00 0.00 175.10 174.65 2cri s LEU 17 N -1.67 3.47 -0.17 1.32 1.02 -1.26 -2.16 118.68 119.23 2cri s LEU 17 Ca 0.36 -0.57 -0.05 0.00 0.02 0.00 0.00 54.13 53.89 2cri s LEU 17 Cb -0.17 -2.01 0.08 0.00 0.02 0.00 0.00 46.19 44.11 2cri s LEU 17 CO 0.19 -0.25 0.31 -0.62 0.02 0.00 0.00 176.35 176.00 2cri s ASP 18 N -3.88 0.34 0.25 2.29 2.15 0.07 -1.68 116.67 116.20 2cri s ASP 18 Ca 0.37 0.52 -0.30 0.00 0.43 0.00 0.00 52.55 53.58 2cri s ASP 18 Cb -0.05 0.85 -0.09 0.00 -0.30 0.00 0.00 42.92 43.33 2cri s ASP 18 CO 0.24 -0.26 1.27 -2.16 -0.17 0.00 0.00 175.17 174.09 2cri s PRO 19 N 2.47 4.43 0.25 4.34 0.04 -1.26 -1.64 135.00 143.62 2cri s PRO 19 Ca 0.03 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.14 2cri s PRO 19 Cb -0.13 -3.16 0.31 0.00 0.04 0.00 0.00 34.50 31.56 2cri s PRO 19 CO -0.11 -0.15 1.62 -1.00 0.04 0.00 0.00 177.00 177.40 2cri h PRO 20 N 4.59 0.38 0.00 0.56 0.13 -1.71 -3.37 132.00 132.58 2cri h PRO 20 Ca -0.46 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2cri h PRO 20 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cri h PRO 20 CO 0.72 0.76 0.00 0.43 -0.23 0.00 0.00 178.00 179.68 2cri n SER 21 N -4.00 0.00 -3.91 1.44 7.64 -1.26 -4.91 113.62 108.62 2cri n SER 21 Ca -0.02 0.44 -0.10 0.00 1.01 0.00 0.00 58.87 60.20 2cri n SER 21 Cb 0.52 -0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.82 0.14 -0.42 6.43 -4.77 -1.26 -4.12 116.67 110.85 2cri s ASP 22 Ca 0.00 -0.45 -0.21 0.00 -3.30 0.00 0.00 52.55 48.58 2cri s ASP 22 Cb 0.00 0.23 0.02 0.00 -1.09 0.00 0.00 42.92 42.07 2cri s ASP 22 CO 0.00 -0.48 0.68 -0.22 0.70 0.00 0.00 175.17 175.85 2cri s LEU 23 N -1.96 4.36 0.07 2.11 2.96 0.11 -4.59 118.68 121.73 2cri s LEU 23 Ca -0.07 -0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 53.52 2cri s LEU 23 Cb -0.03 -2.81 -0.07 0.00 0.50 0.00 0.00 46.19 43.79 2cri s LEU 23 CO -0.03 -0.76 0.55 -0.54 -1.32 0.00 0.00 176.35 174.25 2cri s LYS 24 N 2.91 4.16 -0.11 1.98 -0.14 -1.26 0.05 119.74 127.33 2cri s LYS 24 Ca 0.25 0.69 0.02 0.00 -1.36 0.00 0.00 55.97 55.58 2cri s LYS 24 Cb -0.14 -3.23 -0.01 0.00 -1.68 0.00 0.00 37.83 32.78 2cri s LYS 24 CO 0.19 0.64 -0.19 -0.06 -0.76 0.00 0.00 175.35 175.16 2cri s PHE 25 N -1.12 2.67 -0.46 3.18 0.40 -0.47 -4.93 117.98 117.25 2cri s PHE 25 Ca 0.29 -0.89 -0.22 0.00 -0.60 0.00 0.00 56.93 55.50 2cri s PHE 25 Cb -0.19 -1.77 0.03 0.00 0.51 0.00 0.00 43.02 41.60 2cri s PHE 25 CO 0.18 -0.34 0.74 0.21 0.70 0.00 0.00 175.22 176.71 2cri s LYS 26 N 0.37 3.34 0.00 0.44 2.47 -1.26 -2.50 119.74 122.59 2cri s LYS 26 Ca -0.15 -0.26 0.00 0.00 -1.56 0.00 0.00 55.97 54.00 2cri s LYS 26 Cb -0.17 -3.96 0.00 0.00 -1.46 0.00 0.00 37.83 32.24 2cri s LYS 26 CO 0.07 -1.12 0.00 0.41 0.16 0.00 0.00 175.35 174.88 2cri n GLY 27 N 5.02 -3.38 3.62 5.54 0.00 -1.18 -4.87 105.19 109.94 2cri n GLY 27 Ca 0.00 -1.22 -0.30 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 -0.90 -0.73 -0.11 1.61 0.04 -1.26 -4.69 135.00 128.97 2cri s PRO 28 Ca 0.00 0.11 0.17 0.00 0.04 0.00 0.00 61.00 61.33 2cri s PRO 28 Cb 0.00 -1.64 0.65 0.00 0.04 0.00 0.00 34.50 33.56 2cri s PRO 28 CO 0.00 -3.42 1.57 1.19 0.04 0.00 0.00 177.00 176.38 2cri n PHE 29 N -4.59 1.32 1.25 0.56 3.72 -1.26 -4.27 117.46 114.19 2cri n PHE 29 Ca 0.10 -0.64 0.13 0.00 -0.05 0.00 0.00 57.45 57.00 2cri n PHE 29 Cb 0.59 -0.24 0.45 0.00 -0.94 0.00 0.00 39.48 39.34 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 0.83 0.00 -3.99 4.37 5.66 -1.26 -2.37 114.28 117.52 2cri n THR 30 Ca 0.24 -0.08 -0.09 0.00 -3.05 0.00 0.00 64.05 61.07 2cri n THR 30 Cb 0.85 0.18 -0.08 0.00 -1.55 0.00 0.00 70.33 69.72 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 -2.59 0.20 -0.17 1.09 2.15 -1.26 -4.90 116.67 111.20 2cri s ASP 31 Ca 0.23 -0.89 -0.36 0.00 0.43 0.00 0.00 52.55 51.96 2cri s ASP 31 Cb 0.19 0.33 -0.13 0.00 -0.30 0.00 0.00 42.92 43.02 2cri s ASP 31 CO 0.53 -0.75 1.85 0.52 -0.17 0.00 0.00 175.17 177.15 2cri n VAL 32 N -0.08 0.48 -3.87 1.11 0.31 -1.26 -4.26 118.33 110.76 2cri n VAL 32 Ca -0.11 -0.09 -0.34 0.00 -0.01 0.00 0.00 64.34 63.79 2cri n VAL 32 Cb 0.63 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 31.85 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 4.03 5.41 -0.13 2.52 1.01 0.53 -4.96 120.40 128.81 2cri s VAL 33 Ca 0.95 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.92 2cri s VAL 33 Cb -0.83 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2cri s VAL 33 CO 0.57 0.37 -0.22 -0.89 0.00 0.00 0.00 175.10 174.92 2cri s THR 34 N -1.28 2.05 -0.01 3.92 2.01 -1.26 -0.27 115.64 120.79 2cri s THR 34 Ca 0.26 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.32 2cri s THR 34 Cb -0.13 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 2cri s THR 34 CO 0.16 0.55 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.61 2cri s THR 35 N 0.68 1.13 -0.19 -0.82 2.01 -0.97 -4.89 115.64 112.59 2cri s THR 35 Ca -0.10 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 2cri s THR 35 Cb -0.16 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 2cri s THR 35 CO 0.01 0.32 0.06 0.54 -0.69 0.00 0.00 174.62 174.86 2cri s ASN 36 N -0.33 5.54 -0.37 3.53 4.22 -1.26 -0.42 114.94 125.85 2cri s ASN 36 Ca 0.05 0.04 -0.03 0.00 -2.14 0.00 0.00 52.86 50.78 2cri s ASN 36 Cb -0.06 -1.95 0.08 0.00 1.28 0.00 0.00 41.25 40.61 2cri s ASN 36 CO -0.01 0.15 0.14 -0.22 -2.04 0.00 0.00 177.10 175.12 2cri s LEU 37 N 0.50 4.76 0.17 3.54 0.20 -0.23 -4.84 118.68 122.78 2cri s LEU 37 Ca 0.03 -1.69 -0.30 0.00 0.69 0.00 0.00 54.13 52.86 2cri s LEU 37 Cb -0.13 -1.81 -0.07 0.00 -0.43 0.00 0.00 46.19 43.75 2cri s LEU 37 CO 0.01 -0.44 1.09 -0.54 -0.29 0.00 0.00 176.35 176.18 2cri s LYS 38 N 1.22 4.60 -0.28 1.98 1.02 -0.65 -1.77 119.74 125.84 2cri s LYS 38 Ca 0.03 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.73 2cri s LYS 38 Cb -0.22 -3.28 0.08 0.00 -0.52 0.00 0.00 37.83 33.89 2cri s LYS 38 CO -0.02 0.08 0.04 -0.51 -0.92 0.00 0.00 175.35 174.01 2cri s LEU 39 N -0.32 2.75 0.19 3.17 1.43 0.11 -0.75 118.68 125.27 2cri s LEU 39 Ca 0.49 -1.53 -0.16 0.00 -1.03 0.00 0.00 54.13 51.90 2cri s LEU 39 Cb -0.29 -1.09 -0.08 0.00 0.03 0.00 0.00 46.19 44.77 2cri s LEU 39 CO 0.34 -0.35 0.64 -1.58 0.23 0.00 0.00 176.35 175.63 2cri s GLN 40 N 1.43 4.09 -0.41 1.70 0.74 -0.92 -0.94 119.66 125.36 2cri s GLN 40 Ca 0.05 0.65 -0.00 0.00 0.05 0.00 0.00 55.36 56.11 2cri s GLN 40 Cb -0.18 -2.86 0.11 0.00 1.10 0.00 0.00 33.01 31.18 2cri s GLN 40 CO -0.15 0.41 0.17 1.21 -0.55 0.00 0.00 175.29 176.39 2cri s ASN 41 N -1.75 5.05 0.30 6.67 2.47 0.01 -2.90 114.94 124.78 2cri s ASN 41 Ca 0.41 -2.18 0.09 0.00 0.42 0.00 0.00 52.86 51.61 2cri s ASN 41 Cb -0.15 -1.75 0.48 0.00 -1.45 0.00 0.00 41.25 38.38 2cri s ASN 41 CO 0.20 -0.46 1.70 1.55 -3.72 0.00 0.00 177.10 176.37 2cri h PRO 42 N 7.76 0.11 -7.19 0.43 0.13 -1.88 -1.17 132.00 130.17 2cri h PRO 42 Ca -0.09 -0.06 -0.46 0.00 -0.87 0.00 0.00 66.00 64.52 2cri h PRO 42 Cb 1.02 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.36 2cri h PRO 42 CO 0.64 0.56 0.09 -1.54 -0.23 0.00 0.00 178.00 177.52 2cri s SER 43 N -6.89 1.66 -0.23 1.44 1.04 -1.26 -4.73 113.70 104.73 2cri s SER 43 Ca -0.03 1.72 0.15 0.00 0.48 0.00 0.00 55.95 58.26 2cri s SER 43 Cb 0.13 -2.38 0.77 0.00 0.10 0.00 0.00 66.02 64.64 2cri s SER 43 CO 0.76 -3.81 1.69 0.47 0.98 0.00 0.00 173.24 173.33 2cri n ASP 44 N -4.67 5.38 -3.97 7.02 8.00 -1.26 -2.97 116.55 124.08 2cri n ASP 44 Ca 0.06 -2.96 -0.09 0.00 0.71 0.00 0.00 54.79 52.51 2cri n ASP 44 Cb 0.54 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.79 0.99 0.58 -1.24 1.70 -1.26 -4.87 118.95 112.06 2cri s ARG 45 Ca 0.52 -1.16 -0.20 0.00 -0.47 0.00 0.00 55.73 54.42 2cri s ARG 45 Cb 0.40 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 35.08 2cri s ARG 45 CO 0.15 -0.33 1.28 0.15 -1.08 0.00 0.00 175.30 175.46 2cri s LYS 46 N -3.95 3.00 -0.04 3.89 1.02 -1.26 -4.23 119.74 118.16 2cri s LYS 46 Ca 0.14 2.02 -0.02 0.00 0.02 0.00 0.00 55.97 58.13 2cri s LYS 46 Cb 0.05 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 35.33 2cri s LYS 46 CO -0.03 -1.24 0.07 0.08 -0.92 0.00 0.00 175.35 173.31 2cri s VAL 47 N -1.44 -0.12 -0.04 3.17 1.01 -1.18 -1.62 120.40 120.18 2cri s VAL 47 Ca 0.75 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.83 2cri s VAL 47 Cb -0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2cri s VAL 47 CO 0.40 0.17 1.21 0.00 0.00 0.00 0.00 175.10 176.87 2cri s PHE 49 N 2.10 2.57 -0.16 0.00 -0.71 -0.36 -0.85 117.98 120.56 2cri s PHE 49 Ca 0.57 -0.53 0.02 0.00 -1.04 0.00 0.00 56.93 55.94 2cri s PHE 49 Cb -0.25 -1.64 0.02 0.00 -1.21 0.00 0.00 43.02 39.93 2cri s PHE 49 CO 0.23 -0.09 -0.21 0.15 -1.34 0.00 0.00 175.22 173.96 2cri s LYS 50 N -0.26 2.98 -0.38 1.99 -0.14 0.31 -2.37 119.74 121.86 2cri s LYS 50 Ca 0.00 -0.83 -0.16 0.00 -1.36 0.00 0.00 55.97 53.63 2cri s LYS 50 Cb -0.13 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.52 2cri s LYS 50 CO 0.03 -0.14 0.37 0.08 -0.76 0.00 0.00 175.35 174.93 2cri s VAL 51 N 1.11 5.16 -0.14 3.17 1.01 -0.63 -1.83 120.40 128.25 2cri s VAL 51 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 2cri s VAL 51 Cb -0.14 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.40 2cri s VAL 51 CO -0.09 -0.23 0.32 -1.59 0.00 0.00 0.00 175.10 173.52 2cri s LYS 52 N 1.99 0.27 0.39 2.72 -2.85 -1.20 -4.85 119.74 116.22 2cri s LYS 52 Ca 0.11 0.71 0.08 0.00 -1.00 0.00 0.00 55.97 55.86 2cri s LYS 52 Cb -0.17 -0.02 -0.08 0.00 -2.06 0.00 0.00 37.83 35.50 2cri s LYS 52 CO 0.12 -0.19 -0.02 -0.08 0.10 0.00 0.00 175.35 175.28 2cri s THR 53 N 1.66 2.07 -0.58 3.79 -1.32 -1.26 -3.36 115.64 116.64 2cri s THR 53 Ca -0.07 -2.06 0.26 0.00 -1.21 0.00 0.00 61.69 58.61 2cri s THR 53 Cb -0.10 -2.89 0.29 0.00 -1.51 0.00 0.00 72.50 68.29 2cri s THR 53 CO -0.10 -0.06 1.75 0.00 -2.21 0.00 0.00 174.62 174.00 2cri h THR 54 N 1.85 0.00 -2.27 5.08 1.03 -1.97 -3.32 112.91 113.30 2cri h THR 54 Ca -0.43 -0.49 -0.60 0.00 -0.01 0.00 0.00 66.41 64.87 2cri h THR 54 Cb 1.24 1.43 -0.41 0.00 -1.07 0.00 0.00 68.15 69.34 2cri h THR 54 CO 0.78 0.00 -0.54 0.00 -0.01 0.00 0.00 175.52 175.74 2cri n ALA 55 N -1.85 4.63 0.19 0.00 0.00 -1.26 -4.84 120.51 117.38 2cri n ALA 55 Ca 0.04 -4.72 0.05 0.00 0.00 0.00 0.00 53.44 48.81 2cri n ALA 55 Cb 0.39 -0.84 0.39 0.00 0.00 0.00 0.00 19.45 19.38 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 3.30 0.00 0.00 0.00 0.13 -1.84 -2.72 132.00 130.87 2cri h PRO 56 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2cri h PRO 56 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2cri h PRO 56 CO 0.85 0.36 0.00 -0.09 -0.23 0.00 0.00 178.00 178.88 2cri h ARG 57 N 0.00 0.00 0.00 0.86 9.65 -1.93 -2.12 114.38 120.84 2cri h ARG 57 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2cri h ARG 57 Cb 0.76 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.31 2cri h ARG 57 CO 0.05 0.00 -0.30 0.54 2.80 0.00 0.00 179.97 183.06 2cri n ARG 58 N -2.91 1.09 -3.69 0.20 1.74 -1.04 -5.00 116.66 107.05 2cri n ARG 58 Ca -0.01 -2.52 -0.13 0.00 -0.77 0.00 0.00 57.85 54.41 2cri n ARG 58 Cb 0.15 -1.27 -0.13 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.35 -0.36 -0.46 -1.55 2.02 -0.80 -4.07 117.35 109.79 2cri s TYR 59 Ca 0.29 0.86 0.03 0.00 -0.37 0.00 0.00 57.07 57.89 2cri s TYR 59 Cb 0.28 -0.02 0.12 0.00 -0.40 0.00 0.00 41.96 41.94 2cri s TYR 59 CO -0.02 -0.30 0.21 0.00 -1.57 0.00 0.00 175.55 173.87 2cri s VAL 61 N 0.20 4.92 -0.15 0.00 1.01 -1.26 -0.64 120.40 124.48 2cri s VAL 61 Ca 0.16 1.12 -0.05 0.00 0.00 0.00 0.00 61.98 63.21 2cri s VAL 61 Cb -0.24 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.34 2cri s VAL 61 CO -0.03 0.47 0.30 -0.60 0.00 0.00 0.00 175.10 175.25 2cri s ARG 62 N -0.50 0.20 0.66 2.72 3.52 0.43 -3.09 118.95 122.90 2cri s ARG 62 Ca 0.28 0.80 -0.15 0.00 -0.13 0.00 0.00 55.73 56.54 2cri s ARG 62 Cb -0.18 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 2cri s ARG 62 CO 0.16 -0.26 1.11 -1.25 -0.81 0.00 0.00 175.30 174.24 2cri s PRO 63 N 2.35 2.78 0.41 5.12 0.04 -1.26 -1.06 135.00 143.38 2cri s PRO 63 Ca -0.01 1.38 0.23 0.00 0.04 0.00 0.00 61.00 62.64 2cri s PRO 63 Cb -0.12 -1.95 0.32 0.00 0.04 0.00 0.00 34.50 32.79 2cri s PRO 63 CO -0.10 -1.26 1.56 -2.95 0.04 0.00 0.00 177.00 174.29 2cri h ASN 64 N -0.03 0.00 -4.73 6.66 -1.07 -1.91 -3.45 115.58 111.06 2cri h ASN 64 Ca -0.47 -0.00 0.15 0.00 0.07 0.00 0.00 56.30 56.05 2cri h ASN 64 Cb 1.25 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 37.35 2cri h ASN 64 CO 0.54 0.00 0.55 -0.44 0.07 0.00 0.00 177.43 178.15 2cri s SER 65 N -6.10 -0.29 0.00 6.14 0.01 -1.26 -1.61 113.70 110.58 2cri s SER 65 Ca 0.06 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2cri s SER 65 Cb 0.06 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2cri s SER 65 CO 0.68 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2cri n GLY 66 N -0.26 -0.71 3.47 3.44 0.00 -1.00 -5.04 105.19 105.09 2cri n GLY 66 Ca -0.07 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 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 2.89 -0.28 -0.61 1.01 -1.26 -1.23 121.20 118.72 2cri s ILE 67 Ca 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 59.51 2cri s ILE 67 Cb 0.00 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.28 2cri s ILE 67 CO 0.00 0.37 0.01 -0.63 0.00 0.00 0.00 174.94 174.69 2cri s ILE 68 N -0.91 3.36 0.61 2.92 1.01 -0.95 -4.96 121.20 122.27 2cri s ILE 68 Ca 0.15 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.68 2cri s ILE 68 Cb -0.11 -2.75 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 2cri s ILE 68 CO 0.05 0.10 0.45 0.47 0.00 0.00 0.00 174.94 176.01 2cri n ASP 69 N 4.75 -1.37 -4.72 3.58 8.00 -1.26 -3.12 116.55 122.40 2cri n ASP 69 Ca -0.15 0.69 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 2cri n ASP 69 Cb 0.47 -1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.39 2cri n ASP 69 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cri s PRO 70 N -2.15 4.36 -1.11 -0.24 0.04 -1.26 -3.15 135.00 131.48 2cri s PRO 70 Ca 0.67 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.69 2cri s PRO 70 Cb -0.42 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 30.89 2cri s PRO 70 CO 0.56 -0.35 0.76 0.41 0.04 0.00 0.00 177.00 178.43 2cri n GLY 71 N 3.04 -0.23 3.23 0.56 0.00 -0.44 -4.93 105.19 106.43 2cri n GLY 71 Ca 0.09 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.08 0.49 -0.05 1.61 0.01 -1.19 -4.93 113.70 106.55 2cri s SER 72 Ca 0.38 -1.43 0.04 0.00 1.31 0.00 0.00 55.95 56.26 2cri s SER 72 Cb -0.17 0.36 -0.00 0.00 0.21 0.00 0.00 66.02 66.42 2cri s SER 72 CO 0.47 -0.85 -0.19 -0.63 0.41 0.00 0.00 173.24 172.45 2cri s ILE 73 N -4.02 1.59 -0.09 1.44 1.01 -1.26 -0.81 121.20 119.06 2cri s ILE 73 Ca 0.39 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2cri s ILE 73 Cb 0.07 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 2cri s ILE 73 CO 0.14 0.45 -0.11 -0.69 0.00 0.00 0.00 174.94 174.73 2cri s VAL 74 N 0.10 3.30 -0.48 2.92 1.01 -0.11 -4.88 120.40 122.25 2cri s VAL 74 Ca -0.07 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2cri s VAL 74 Cb -0.13 -2.35 0.12 0.00 0.00 0.00 0.00 36.38 34.02 2cri s VAL 74 CO 0.03 0.57 0.37 -0.89 0.00 0.00 0.00 175.10 175.18 2cri s THR 75 N -0.35 4.37 0.08 3.92 2.01 -1.26 0.07 115.64 124.49 2cri s THR 75 Ca 0.04 -1.75 -0.23 0.00 0.31 0.00 0.00 61.69 60.06 2cri s THR 75 Cb -0.12 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.45 2cri s THR 75 CO 0.02 -0.79 0.70 -0.69 -0.69 0.00 0.00 174.62 173.17 2cri s VAL 76 N 1.39 4.65 -0.49 3.82 1.01 -0.73 -4.86 120.40 125.18 2cri s VAL 76 Ca 0.05 1.51 -0.20 0.00 0.00 0.00 0.00 61.98 63.34 2cri s VAL 76 Cb -0.27 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.11 2cri s VAL 76 CO -0.00 0.46 0.68 -0.44 0.00 0.00 0.00 175.10 175.79 2cri s SER 77 N -0.62 6.27 -0.70 3.32 0.01 -0.23 -1.06 113.70 120.68 2cri s SER 77 Ca 0.35 -0.66 -0.15 0.00 1.31 0.00 0.00 55.95 56.79 2cri s SER 77 Cb -0.21 -2.32 0.18 0.00 0.21 0.00 0.00 66.02 63.88 2cri s SER 77 CO 0.22 -0.91 0.66 -0.69 0.41 0.00 0.00 173.24 172.94 2cri s VAL 78 N 2.88 5.40 -0.04 3.43 1.01 0.44 -0.43 120.40 133.08 2cri s VAL 78 Ca 0.20 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.88 2cri s VAL 78 Cb -0.17 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2cri s VAL 78 CO 0.15 -0.98 1.09 -0.04 0.00 0.00 0.00 175.10 175.32 2cri s MET 79 N 0.91 4.43 -0.26 2.72 -1.94 0.19 -2.29 119.30 123.05 2cri s MET 79 Ca 0.12 1.54 -0.01 0.00 -1.71 0.00 0.00 55.69 55.63 2cri s MET 79 Cb -0.19 -3.50 0.04 0.00 2.01 0.00 0.00 34.83 33.19 2cri s MET 79 CO -0.03 -0.30 -0.05 -1.17 -0.01 0.00 0.00 175.02 173.46 2cri s LEU 80 N 1.74 3.41 0.74 -0.03 1.98 0.63 -0.88 118.68 126.26 2cri s LEU 80 Ca 0.53 -1.06 -0.13 0.00 -2.89 0.00 0.00 54.13 50.58 2cri s LEU 80 Cb -0.22 -1.66 0.04 0.00 0.66 0.00 0.00 46.19 45.01 2cri s LEU 80 CO 0.23 -0.17 1.14 -1.10 -1.89 0.00 0.00 176.35 174.55 2cri s GLN 81 N 1.27 2.23 0.35 1.98 -1.52 -1.26 -0.35 119.66 122.37 2cri s GLN 81 Ca -0.03 1.46 -0.27 0.00 -1.95 0.00 0.00 55.36 54.57 2cri s GLN 81 Cb -0.18 -1.87 -0.09 0.00 -0.22 0.00 0.00 33.01 30.64 2cri s GLN 81 CO -0.04 -1.70 1.21 -1.25 -0.25 0.00 0.00 175.29 173.26 2cri s PRO 82 N -4.31 4.28 0.02 2.91 0.04 -1.26 -4.79 135.00 131.89 2cri s PRO 82 Ca 0.68 1.98 -0.28 0.00 0.04 0.00 0.00 61.00 63.42 2cri s PRO 82 Cb -0.22 -2.93 0.10 0.00 0.04 0.00 0.00 34.50 31.48 2cri s PRO 82 CO 0.48 -0.17 0.89 -0.59 0.04 0.00 0.00 177.00 177.66 2cri s PHE 83 N -1.25 -0.32 -0.44 0.56 -0.71 -1.00 -5.00 117.98 109.81 2cri s PHE 83 Ca 0.51 0.17 -0.29 0.00 -1.04 0.00 0.00 56.93 56.28 2cri s PHE 83 Cb -0.35 0.55 0.02 0.00 -1.21 0.00 0.00 43.02 42.03 2cri s PHE 83 CO 0.45 -0.58 1.28 0.34 -1.34 0.00 0.00 175.22 175.36 2cri s ASP 84 N -2.54 6.49 -0.28 1.98 -1.08 -1.26 -4.80 116.67 115.18 2cri s ASP 84 Ca 0.06 0.66 -0.08 0.00 -0.52 0.00 0.00 52.55 52.66 2cri s ASP 84 Cb -0.01 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.89 2cri s ASP 84 CO -0.08 -1.34 0.11 -0.47 0.52 0.00 0.00 175.17 173.91 2cri s TYR 85 N 4.94 3.13 -0.21 -5.34 5.04 -1.26 -5.07 117.35 118.57 2cri s TYR 85 Ca 0.55 -0.49 0.01 0.00 -2.44 0.00 0.00 57.07 54.69 2cri s TYR 85 Cb -0.10 -2.29 0.03 0.00 0.35 0.00 0.00 41.96 39.94 2cri s TYR 85 CO 0.32 -0.40 -0.15 0.34 -1.34 0.00 0.00 175.55 174.32 2cri s ASP 86 N 1.61 3.64 0.47 4.32 2.15 -1.26 -4.99 116.67 122.61 2cri s ASP 86 Ca 0.05 -0.79 0.26 0.00 0.43 0.00 0.00 52.55 52.51 2cri s ASP 86 Cb -0.16 -1.54 1.11 0.00 -0.30 0.00 0.00 42.92 42.02 2cri s ASP 86 CO 0.05 -0.05 1.90 1.55 -0.17 0.00 0.00 175.17 178.45 2cri h PRO 87 N 7.94 0.00 -0.65 4.34 0.13 -1.97 -3.16 132.00 138.62 2cri h PRO 87 Ca -0.39 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.86 2cri h PRO 87 Cb 1.12 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 2cri h PRO 87 CO 0.60 0.18 0.21 -0.91 -0.23 0.00 0.00 178.00 177.84 2cri h ASN 88 N 0.00 0.15 -3.88 1.44 2.35 -2.05 -3.41 115.58 110.17 2cri h ASN 88 Ca -0.00 0.10 -0.50 0.00 -0.55 0.00 0.00 56.30 55.35 2cri h ASN 88 Cb 0.62 0.11 0.02 0.00 0.05 0.00 0.00 38.32 39.12 2cri h ASN 88 CO 0.02 0.07 0.46 -1.83 -1.65 0.00 0.00 177.43 174.51 2cri s GLU 89 N -6.08 4.37 0.51 0.81 -1.05 -1.20 -4.97 118.70 111.09 2cri s GLU 89 Ca -0.13 1.72 -0.20 0.00 -0.15 0.00 0.00 54.97 56.21 2cri s GLU 89 Cb 0.18 -2.88 -0.09 0.00 -0.44 0.00 0.00 34.13 30.90 2cri s GLU 89 CO 0.75 -0.01 0.68 1.17 0.95 0.00 0.00 175.26 178.80 2cri n LYS 90 N 0.56 0.73 -1.67 -4.83 4.81 -1.26 -4.74 118.16 111.75 2cri n LYS 90 Ca 0.02 0.28 -0.55 0.00 -0.87 0.00 0.00 58.31 57.18 2cri n LYS 90 Cb 0.47 -1.79 -0.07 0.00 0.02 0.00 0.00 35.03 33.66 2cri n LYS 90 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2cri n SER 91 N 0.49 2.51 -2.46 3.14 3.41 -1.26 -4.86 113.62 114.59 2cri n SER 91 Ca 0.11 0.98 -0.20 0.00 -0.26 0.00 0.00 58.87 59.51 2cri n SER 91 Cb 0.44 -1.18 0.01 0.00 -0.26 0.00 0.00 64.21 63.22 2cri n SER 91 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2cri n LYS 92 N 5.94 2.83 -3.75 4.33 4.81 -1.26 -5.03 118.16 126.03 2cri n LYS 92 Ca 0.28 -4.08 -0.12 0.00 -0.87 0.00 0.00 58.31 53.51 2cri n LYS 92 Cb 0.16 -1.98 -0.12 0.00 0.02 0.00 0.00 35.03 33.11 2cri n LYS 92 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2cri s HIS 93 N -3.49 -0.37 0.03 5.64 3.76 -1.26 -5.06 115.29 114.55 2cri s HIS 93 Ca 0.42 0.86 -0.16 0.00 -0.15 0.00 0.00 55.06 56.04 2cri s HIS 93 Cb 0.41 0.12 0.03 0.00 1.11 0.00 0.00 32.58 34.24 2cri s HIS 93 CO -0.08 -0.20 0.35 0.15 -0.85 0.00 0.00 174.74 174.10 2cri s LYS 94 N 0.62 0.82 -0.13 1.40 -0.14 -1.26 -4.52 119.74 116.53 2cri s LYS 94 Ca -0.04 -0.38 -0.02 0.00 -1.36 0.00 0.00 55.97 54.17 2cri s LYS 94 Cb -0.05 0.36 0.04 0.00 -1.68 0.00 0.00 37.83 36.50 2cri s LYS 94 CO -0.04 -0.26 -0.01 0.12 -0.76 0.00 0.00 175.35 174.40 2cri s PHE 95 N -2.26 1.06 -0.17 3.18 5.36 0.15 -4.14 117.98 121.17 2cri s PHE 95 Ca -0.07 -0.62 -0.07 0.00 -0.96 0.00 0.00 56.93 55.21 2cri s PHE 95 Cb -0.02 -1.01 -0.04 0.00 -0.34 0.00 0.00 43.02 41.61 2cri s PHE 95 CO -0.01 -0.49 0.08 -1.64 -1.46 0.00 0.00 175.22 171.69 2cri s MET 96 N 1.85 3.83 -0.11 10.12 -1.94 -1.21 -0.83 119.30 130.99 2cri s MET 96 Ca 0.02 -0.30 0.02 0.00 -1.71 0.00 0.00 55.69 53.73 2cri s MET 96 Cb -0.14 -3.20 0.01 0.00 2.01 0.00 0.00 34.83 33.51 2cri s MET 96 CO -0.07 0.40 -0.19 0.08 -0.01 0.00 0.00 175.02 175.23 2cri s VAL 97 N 0.03 1.76 -0.11 -6.03 1.01 -0.85 -3.22 120.40 112.98 2cri s VAL 97 Ca 0.07 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2cri s VAL 97 Cb -0.12 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2cri s VAL 97 CO 0.01 0.49 0.08 -1.58 0.00 0.00 0.00 175.10 174.10 2cri s GLN 98 N 0.79 3.32 -0.01 2.72 0.74 -0.76 -0.92 119.66 125.54 2cri s GLN 98 Ca -0.10 -0.26 -0.00 0.00 0.05 0.00 0.00 55.36 55.05 2cri s GLN 98 Cb -0.16 -3.04 0.01 0.00 1.10 0.00 0.00 33.01 30.92 2cri s GLN 98 CO 0.01 0.70 0.02 0.95 -0.55 0.00 0.00 175.29 176.42 2cri s THR 99 N -0.83 -0.02 -0.24 -0.34 -4.23 0.23 -0.53 115.64 109.69 2cri s THR 99 Ca 0.13 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.51 2cri s THR 99 Cb -0.12 -0.05 0.07 0.00 1.34 0.00 0.00 72.50 73.74 2cri s THR 99 CO 0.03 0.03 0.62 -0.51 -0.54 0.00 0.00 174.62 174.25 2cri s ILE 100 N 0.32 -0.00 0.78 2.99 2.07 -0.03 -2.63 121.20 124.70 2cri s ILE 100 Ca -0.03 0.01 -0.15 0.00 -1.41 0.00 0.00 60.65 59.07 2cri s ILE 100 Cb -0.04 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.65 2cri s ILE 100 CO -0.01 0.00 0.48 0.49 -1.91 0.00 0.00 174.94 174.00 2cri n PHE 101 N 3.28 -1.00 -4.58 3.50 3.01 -1.26 0.95 117.46 121.35 2cri n PHE 101 Ca -0.16 0.32 -0.34 0.00 1.01 0.00 0.00 57.45 58.28 2cri n PHE 101 Cb 0.56 -1.88 -0.11 0.00 -0.01 0.00 0.00 39.48 38.04 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 -2.02 2.98 0.76 4.37 0.00 -0.64 -4.48 121.76 122.74 2cri s ALA 102 Ca 0.63 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 2cri s ALA 102 Cb -0.32 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.56 2cri s ALA 102 CO 0.60 0.50 1.09 -1.25 0.00 0.00 0.00 175.76 176.70 2cri s PRO 103 N -0.55 2.30 0.07 0.00 0.04 -1.26 -4.78 135.00 130.81 2cri s PRO 103 Ca 0.08 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 2cri s PRO 103 Cb -0.12 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 2cri s PRO 103 CO 0.02 -1.61 1.38 -1.00 0.04 0.00 0.00 177.00 175.82 2cri h PRO 104 N -1.02 0.51 -1.00 0.56 0.13 -2.01 -3.08 132.00 126.09 2cri h PRO 104 Ca -0.44 -0.27 -0.23 0.00 -0.87 0.00 0.00 66.00 64.20 2cri h PRO 104 Cb 1.23 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 2cri h PRO 104 CO 0.51 0.85 0.29 0.09 -0.23 0.00 0.00 178.00 179.51 2cri n ASN 105 N -4.43 3.33 -4.54 1.44 3.02 -1.26 -4.93 115.26 107.89 2cri n ASN 105 Ca -0.05 -2.71 -0.48 0.00 -0.03 0.00 0.00 54.58 51.31 2cri n ASN 105 Cb 0.41 -0.65 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cri n ILE 106 N -0.23 0.31 -0.01 2.41 3.06 -1.17 -4.81 119.36 118.93 2cri n ILE 106 Ca 0.26 -0.29 -0.03 0.00 -2.50 0.00 0.00 62.75 60.20 2cri n ILE 106 Cb 1.02 -1.95 -0.01 0.00 0.54 0.00 0.00 39.64 39.24 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 9.75 1.03 -4.37 9.51 7.64 -1.26 -4.89 113.62 131.03 2cri n SER 107 Ca 0.34 0.16 -0.46 0.00 1.01 0.00 0.00 58.87 59.92 2cri n SER 107 Cb 0.30 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 2cri n SER 107 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cri s ASP 108 N -5.54 6.79 0.22 6.43 1.01 -1.26 -4.92 116.67 119.40 2cri s ASP 108 Ca -0.09 -2.61 -0.13 0.00 0.71 0.00 0.00 52.55 50.43 2cri s ASP 108 Cb 0.01 -2.27 0.26 0.00 1.01 0.00 0.00 42.92 41.94 2cri s ASP 108 CO 0.13 -0.69 1.38 0.80 0.21 0.00 0.00 175.17 177.00 2cri n MET 109 N 4.65 -0.17 -0.01 8.23 1.56 -1.26 0.35 117.12 130.46 2cri n MET 109 Ca 0.19 1.37 -0.09 0.00 -0.27 0.00 0.00 57.70 58.90 2cri n MET 109 Cb 0.47 -2.04 -0.03 0.00 2.15 0.00 0.00 33.22 33.78 2cri n MET 109 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 2cri h GLU 110 N 0.00 -0.21 -0.74 2.12 -0.00 -2.02 -2.23 114.58 111.49 2cri h GLU 110 Ca 0.34 0.01 0.15 0.00 -0.00 0.00 0.00 59.36 59.86 2cri h GLU 110 Cb 0.56 0.05 -0.14 0.00 -0.00 0.00 0.00 28.75 29.22 2cri h GLU 110 CO -0.89 -0.14 -0.19 0.00 -0.00 0.00 0.00 179.01 177.78 2cri h ALA 111 N 0.82 0.47 -0.68 1.06 0.00 -0.52 -0.40 119.26 120.02 2cri h ALA 111 Ca 0.11 0.29 0.11 0.00 0.00 0.00 0.00 54.91 55.42 2cri h ALA 111 Cb 0.38 0.58 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 2cri h ALA 111 CO -0.29 -0.42 -0.35 0.28 0.00 0.00 0.00 179.25 178.47 2cri h VAL 112 N -0.01 0.13 -0.90 0.00 2.07 -0.86 0.28 116.25 116.97 2cri h VAL 112 Ca 0.35 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.93 2cri h VAL 112 Cb 0.55 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 2cri h VAL 112 CO -0.77 0.00 0.57 -0.50 0.02 0.00 0.00 177.57 176.89 2cri h TRP 113 N -0.13 1.05 0.93 1.57 4.06 -1.07 0.25 115.95 122.62 2cri h TRP 113 Ca 0.26 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.19 2cri h TRP 113 Cb 0.56 -0.34 0.01 0.00 -1.00 0.00 0.00 29.16 28.39 2cri h TRP 113 CO -0.69 0.55 -0.45 0.87 -3.56 0.00 0.00 178.44 175.16 2cri h LYS 114 N 1.04 -1.20 -0.81 0.49 1.57 -0.02 -2.88 116.57 114.77 2cri h LYS 114 Ca 0.39 0.08 0.09 0.00 -1.87 0.00 0.00 60.65 59.34 2cri h LYS 114 Cb 0.14 0.27 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 2cri h LYS 114 CO -0.16 -0.80 0.53 0.93 -0.57 0.00 0.00 179.45 179.38 2cri h GLU 115 N -1.26 0.75 -6.18 3.15 5.08 -0.73 -3.43 114.58 111.96 2cri h GLU 115 Ca -0.13 -0.05 -0.69 0.00 -1.00 0.00 0.00 59.36 57.49 2cri h GLU 115 Cb 0.96 -0.17 0.07 0.00 0.50 0.00 0.00 28.75 30.11 2cri h GLU 115 CO 0.21 0.50 0.11 0.00 -1.00 0.00 0.00 179.01 178.82 2cri n ALA 116 N -2.44 -1.90 -2.45 3.43 0.00 0.06 -4.94 120.51 112.27 2cri n ALA 116 Ca 0.13 0.50 -0.31 0.00 0.00 0.00 0.00 53.44 53.77 2cri n ALA 116 Cb 0.31 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.29 3.75 0.04 0.00 -0.14 -1.26 -4.97 119.74 116.87 2cri s LYS 117 Ca 0.78 0.20 0.16 0.00 -1.36 0.00 0.00 55.97 55.74 2cri s LYS 117 Cb -0.99 -2.65 0.66 0.00 -1.68 0.00 0.00 37.83 33.18 2cri s LYS 117 CO 0.54 0.29 1.49 -0.35 -0.76 0.00 0.00 175.35 176.56 2cri n PRO 118 N -0.34 0.03 0.01 -1.68 -0.04 -1.26 -1.03 135.00 130.68 2cri n PRO 118 Ca -0.00 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 2cri n PRO 118 Cb 0.53 -1.56 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.62 0.28 -0.01 3.54 8.00 -1.26 -4.28 116.55 121.20 2cri n ASP 119 Ca 0.03 -0.13 0.09 0.00 0.71 0.00 0.00 54.79 55.49 2cri n ASP 119 Cb 0.18 1.60 -0.14 0.00 -0.02 0.00 0.00 41.12 42.74 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 -2.16 0.65 -2.38 -1.24 4.71 -0.91 -4.94 120.64 114.36 2cri n GLU 120 Ca -0.02 -0.14 -0.42 0.00 -0.01 0.00 0.00 57.16 56.57 2cri n GLU 120 Cb 0.52 -1.42 -0.03 0.00 -1.01 0.00 0.00 31.44 29.50 2cri n GLU 120 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2cri s LEU 121 N -4.04 4.30 -0.13 -4.62 1.43 -0.20 -4.96 118.68 110.46 2cri s LEU 121 Ca -0.04 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 54.81 2cri s LEU 121 Cb 0.12 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2cri s LEU 121 CO 0.76 -0.61 0.48 -0.04 0.23 0.00 0.00 176.35 177.17 2cri s MET 122 N 2.09 4.32 0.25 1.70 -1.94 -1.08 -4.97 119.30 119.67 2cri s MET 122 Ca 0.59 0.43 0.12 0.00 -1.71 0.00 0.00 55.69 55.12 2cri s MET 122 Cb -0.27 -3.45 -0.05 0.00 2.01 0.00 0.00 34.83 33.07 2cri s MET 122 CO 0.24 0.13 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.67 2cri s ASP 123 N 0.68 3.61 -0.03 3.03 1.11 -1.26 -0.60 116.67 123.20 2cri s ASP 123 Ca 0.25 -0.94 -0.00 0.00 0.18 0.00 0.00 52.55 52.04 2cri s ASP 123 Cb -0.15 -0.33 0.03 0.00 1.07 0.00 0.00 42.92 43.54 2cri s ASP 123 CO 0.10 0.07 0.02 -0.55 1.18 0.00 0.00 175.17 175.99 2cri s SER 124 N -3.21 0.49 -0.33 0.27 0.15 -0.10 -4.77 113.70 106.20 2cri s SER 124 Ca 0.27 0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.71 2cri s SER 124 Cb -0.06 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2cri s SER 124 CO 0.14 -0.14 0.73 -0.54 1.20 0.00 0.00 173.24 174.62 2cri s LYS 125 N 1.30 3.86 -0.08 5.44 3.01 -1.26 -2.01 119.74 130.00 2cri s LYS 125 Ca -0.06 0.39 0.02 0.00 -1.01 0.00 0.00 55.97 55.31 2cri s LYS 125 Cb -0.13 -3.76 0.01 0.00 -1.01 0.00 0.00 37.83 32.94 2cri s LYS 125 CO -0.03 -0.70 -0.14 -1.17 0.51 0.00 0.00 175.35 173.82 2cri s LEU 126 N 2.88 1.70 -0.14 3.17 0.20 -0.01 -5.03 118.68 121.45 2cri s LEU 126 Ca 0.29 -0.35 -0.07 0.00 0.69 0.00 0.00 54.13 54.69 2cri s LEU 126 Cb -0.14 -0.95 -0.04 0.00 -0.43 0.00 0.00 46.19 44.63 2cri s LEU 126 CO 0.14 0.04 0.12 -0.60 -0.29 0.00 0.00 176.35 175.75 2cri s ARG 127 N 0.70 3.57 -0.25 1.98 3.52 -1.26 0.31 118.95 127.52 2cri s ARG 127 Ca -0.13 -0.20 -0.10 0.00 -0.13 0.00 0.00 55.73 55.17 2cri s ARG 127 Cb -0.16 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 2cri s ARG 127 CO 0.03 0.64 0.16 0.00 -0.81 0.00 0.00 175.30 175.33 2cri s VAL 129 N 1.26 5.27 -0.43 0.00 1.01 0.11 -4.91 120.40 122.71 2cri s VAL 129 Ca 0.07 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 62.53 2cri s VAL 129 Cb -0.14 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2cri s VAL 129 CO 0.06 0.35 0.41 -0.36 0.00 0.00 0.00 175.10 175.56 2cri s PHE 130 N 0.67 3.19 0.37 5.22 0.08 -1.26 -1.37 117.98 124.88 2cri s PHE 130 Ca 0.18 -0.52 0.07 0.00 0.12 0.00 0.00 56.93 56.79 2cri s PHE 130 Cb -0.14 -2.91 -0.02 0.00 -0.57 0.00 0.00 43.02 39.39 2cri s PHE 130 CO 0.06 -0.71 0.37 -1.21 -0.10 0.00 0.00 175.22 173.62 2cri s GLU 131 N 1.99 2.72 -0.02 0.44 2.02 -1.04 -4.99 118.70 119.82 2cri s GLU 131 Ca 0.09 -1.33 0.01 0.00 0.02 0.00 0.00 54.97 53.76 2cri s GLU 131 Cb -0.19 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 31.53 2cri s GLU 131 CO 0.12 -0.04 -0.04 -1.64 0.02 0.00 0.00 175.26 173.68 2cri s MET 132 N -4.10 0.51 0.56 1.61 -1.94 -1.26 -3.10 119.30 111.59 2cri s MET 132 Ca 0.45 -0.12 -0.19 0.00 -1.71 0.00 0.00 55.69 54.13 2cri s MET 132 Cb -0.06 -0.54 -0.05 0.00 2.01 0.00 0.00 34.83 36.19 2cri s MET 132 CO 0.28 0.01 1.13 -1.25 -0.01 0.00 0.00 175.02 175.18 2cri s PRO 133 N 0.37 3.27 -0.18 2.03 0.04 -1.26 -4.90 135.00 134.36 2cri s PRO 133 Ca -0.04 1.57 -0.06 0.00 0.04 0.00 0.00 61.00 62.51 2cri s PRO 133 Cb -0.08 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2cri s PRO 133 CO -0.00 -0.91 0.03 -0.80 0.04 0.00 0.00 177.00 175.36 2cri s ASN 134 N -1.91 5.34 -1.03 6.66 0.01 -1.26 -4.98 114.94 117.77 2cri s ASN 134 Ca 0.72 -0.01 -0.23 0.00 -0.71 0.00 0.00 52.86 52.63 2cri s ASN 134 Cb -0.23 -1.91 0.05 0.00 0.41 0.00 0.00 41.25 39.57 2cri s ASN 134 CO 0.29 0.15 1.46 -0.70 -1.51 0.00 0.00 177.10 176.80 2cri s GLU 135 N 0.50 3.59 0.44 -0.60 2.12 -1.26 -4.97 118.70 118.52 2cri s GLU 135 Ca 0.01 -1.13 0.08 0.00 0.36 0.00 0.00 54.97 54.29 2cri s GLU 135 Cb -0.13 -5.36 -0.01 0.00 0.26 0.00 0.00 34.13 28.89 2cri s GLU 135 CO 0.01 -2.23 0.41 -0.80 -0.54 0.00 0.00 175.26 172.12 2cri s ASN 136 N 5.00 5.05 -0.15 -1.70 -0.87 -1.26 -5.12 114.94 115.90 2cri s ASN 136 Ca 0.47 -0.78 0.00 0.00 -1.57 0.00 0.00 52.86 50.98 2cri s ASN 136 Cb 0.00 -0.44 0.02 0.00 -0.02 0.00 0.00 41.25 40.81 2cri s ASN 136 CO -0.09 -0.74 -0.12 -1.81 -2.57 0.00 0.00 177.10 171.76 2cri s ASP 137 N -4.19 2.64 -0.14 -1.22 1.11 -1.26 -5.12 116.67 108.49 2cri s ASP 137 Ca 0.48 -0.48 -0.08 0.00 0.18 0.00 0.00 52.55 52.64 2cri s ASP 137 Cb -0.04 -1.11 -0.04 0.00 1.07 0.00 0.00 42.92 42.80 2cri s ASP 137 CO 0.28 -0.08 0.16 -1.59 1.18 0.00 0.00 175.17 175.12 2cri s LYS 138 N 1.53 3.70 -0.47 8.23 0.00 -1.26 -5.06 119.74 126.41 2cri s LYS 138 Ca 0.04 -0.12 -0.26 0.00 0.00 0.00 0.00 55.97 55.64 2cri s LYS 138 Cb -0.13 -3.26 0.03 0.00 0.00 0.00 0.00 37.83 34.47 2cri s LYS 138 CO -0.10 0.62 0.94 -1.17 0.00 0.00 0.00 175.35 175.65 2cri s LEU 139 N -0.60 3.99 -0.34 2.77 2.96 -1.26 -5.01 118.68 121.20 2cri s LEU 139 Ca 0.14 0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.07 2cri s LEU 139 Cb -0.12 -3.17 0.04 0.00 0.50 0.00 0.00 46.19 43.44 2cri s LEU 139 CO 0.03 -1.09 0.10 0.54 -1.32 0.00 0.00 176.35 174.61 2cri s ASN 140 N 2.35 5.26 -0.42 3.68 4.22 -1.26 -5.06 114.94 123.71 2cri s ASN 140 Ca 0.37 -1.20 -0.28 0.00 -2.14 0.00 0.00 52.86 49.61 2cri s ASN 140 Cb -0.10 -1.85 0.00 0.00 1.28 0.00 0.00 41.25 40.58 2cri s ASN 140 CO 0.26 -0.33 1.52 -0.62 -2.04 0.00 0.00 177.10 175.89 2cri s ASP 141 N 1.42 6.17 0.27 3.54 2.15 -1.26 -4.93 116.67 124.04 2cri s ASP 141 Ca -0.02 0.86 -0.20 0.00 0.43 0.00 0.00 52.55 53.63 2cri s ASP 141 Cb -0.20 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 39.95 2cri s ASP 141 CO 0.02 -1.56 0.89 -0.44 -0.17 0.00 0.00 175.17 173.91 2cri s SER 142 N 4.64 -0.04 0.00 -0.34 0.01 -1.26 -5.17 113.70 111.53 2cri s SER 142 Ca 0.65 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2cri s SER 142 Cb -0.15 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2cri s SER 142 CO 0.32 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 173.27 2cri n GLY 143 N -0.58 -2.86 1.08 3.44 0.00 -1.26 -5.00 105.19 100.02 2cri n GLY 143 Ca -0.06 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 -1.68 -0.05 1.61 -0.04 -1.26 -5.04 135.00 128.54 2cri n PRO 144 Ca 0.00 -0.54 -0.03 0.00 -0.04 0.00 0.00 63.50 62.89 2cri n PRO 144 Cb 0.00 -0.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.94 2cri n PRO 144 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2cri h SER 145 N -1.55 0.00 -5.90 3.54 0.02 -2.04 -3.48 113.55 104.14 2cri h SER 145 Ca -0.13 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.40 2cri h SER 145 Cb 0.39 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.02 2cri h SER 145 CO 0.08 0.56 -0.69 -0.24 -1.14 0.00 0.00 176.83 175.40 2cri n SER 146 N -4.12 -6.02 0.00 3.07 2.88 -1.26 -5.28 113.62 102.88 2cri n SER 146 Ca -0.05 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 2cri n SER 146 Cb 0.18 -4.75 0.00 0.00 -0.75 0.00 0.00 64.21 58.88 2cri n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42