#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 5.53 -0.22 1.61 0.15 -1.26 -5.07 113.70 114.44 2cri s SER 2 Ca 0.00 -0.04 -0.22 0.00 0.70 0.00 0.00 55.95 56.39 2cri s SER 2 Cb 0.00 -1.98 -0.02 0.00 -1.71 0.00 0.00 66.02 62.31 2cri s SER 2 CO 0.00 0.05 0.68 -0.94 1.20 0.00 0.00 173.24 174.23 2cri s SER 3 N 1.13 6.70 0.72 5.45 1.04 -1.26 -5.05 113.70 122.43 2cri s SER 3 Ca 0.05 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2cri s SER 3 Cb -0.14 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2cri s SER 3 CO 0.04 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2cri n GLY 4 N 3.87 -2.85 3.94 7.32 0.00 -1.26 -5.00 105.19 111.21 2cri n GLY 4 Ca 0.00 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.79 6.36 -0.03 1.61 0.15 -1.26 -5.11 113.70 113.62 2cri s SER 5 Ca 0.00 0.25 -0.29 0.00 0.70 0.00 0.00 55.95 56.62 2cri s SER 5 Cb 0.00 -1.95 0.10 0.00 -1.71 0.00 0.00 66.02 62.46 2cri s SER 5 CO 0.00 0.03 0.82 -0.44 1.20 0.00 0.00 173.24 174.85 2cri s SER 6 N -3.14 -0.47 0.00 5.45 0.01 -1.26 -5.13 113.70 109.16 2cri s SER 6 Ca 0.36 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2cri s SER 6 Cb -0.11 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2cri s SER 6 CO 0.29 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2cri n GLY 7 N 0.31 -0.28 3.15 3.44 0.00 -1.26 -5.17 105.19 105.37 2cri n GLY 7 Ca -0.13 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.77 -0.13 1.61 0.00 -1.26 -5.16 119.30 115.14 2cri s MET 8 Ca 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 55.69 54.36 2cri s MET 8 Cb 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 34.83 34.77 2cri s MET 8 CO 0.00 -0.03 0.27 0.00 0.00 0.00 0.00 175.02 175.26 2cri s ALA 9 N -3.58 -0.60 0.74 3.16 0.00 -1.26 -5.15 121.76 115.07 2cri s ALA 9 Ca 0.10 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.90 2cri s ALA 9 Cb 0.05 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.27 2cri s ALA 9 CO -0.06 -0.53 1.20 0.36 0.00 0.00 0.00 175.76 176.74 2cri n LYS 10 N 5.04 0.56 -3.87 0.00 0.00 -1.26 -5.04 118.16 113.59 2cri n LYS 10 Ca -0.11 0.26 -0.11 0.00 -0.00 0.00 0.00 58.31 58.34 2cri n LYS 10 Cb 0.51 -2.44 -0.10 0.00 -0.00 0.00 0.00 35.03 33.00 2cri n LYS 10 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2cri s HIS 11 N -1.82 0.06 -1.00 5.58 3.76 -1.26 -5.04 115.29 115.58 2cri s HIS 11 Ca 0.77 -0.20 0.08 0.00 -0.15 0.00 0.00 55.06 55.56 2cri s HIS 11 Cb -0.33 -0.06 0.08 0.00 1.11 0.00 0.00 32.58 33.38 2cri s HIS 11 CO 0.47 -0.32 0.79 0.39 -0.85 0.00 0.00 174.74 175.22 2cri n GLU 12 N 1.24 0.36 -2.83 1.40 4.71 -1.26 -5.00 120.64 119.25 2cri n GLU 12 Ca -0.22 -1.06 -0.41 0.00 -0.01 0.00 0.00 57.16 55.47 2cri n GLU 12 Cb 0.56 -1.16 -0.05 0.00 -1.01 0.00 0.00 31.44 29.79 2cri n GLU 12 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 2cri s GLN 13 N -0.71 4.62 -0.06 3.49 2.00 -1.26 -4.95 119.66 122.78 2cri s GLN 13 Ca 0.10 1.30 0.19 0.00 -2.00 0.00 0.00 55.36 54.95 2cri s GLN 13 Cb 0.07 -3.37 -0.24 0.00 0.80 0.00 0.00 33.01 30.28 2cri s GLN 13 CO 0.10 0.26 0.44 1.51 -0.50 0.00 0.00 175.29 177.10 2cri n ILE 14 N 2.73 0.93 -3.60 -2.34 0.13 -1.26 -4.89 119.36 111.05 2cri n ILE 14 Ca 0.00 -0.70 -0.36 0.00 -1.10 0.00 0.00 62.75 60.59 2cri n ILE 14 Cb 0.49 -0.42 -0.08 0.00 -0.84 0.00 0.00 39.64 38.79 2cri n ILE 14 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2cri s LEU 15 N -5.31 4.21 -0.52 9.51 1.43 -1.26 -4.21 118.68 122.54 2cri s LEU 15 Ca -0.07 0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 53.22 2cri s LEU 15 Cb 0.09 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 44.11 2cri s LEU 15 CO 0.85 0.11 0.62 -0.69 0.23 0.00 0.00 176.35 177.46 2cri s VAL 16 N 0.56 4.90 0.55 -1.59 1.01 -0.69 -4.98 120.40 120.15 2cri s VAL 16 Ca 0.13 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 2cri s VAL 16 Cb -0.12 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 2cri s VAL 16 CO 0.02 -0.83 1.04 -0.76 0.00 0.00 0.00 175.10 174.57 2cri s LEU 17 N 2.54 3.64 -0.10 3.92 1.02 -1.26 -1.65 118.68 126.79 2cri s LEU 17 Ca 0.13 1.84 -0.04 0.00 0.02 0.00 0.00 54.13 56.09 2cri s LEU 17 Cb -0.20 -4.54 0.05 0.00 0.02 0.00 0.00 46.19 41.52 2cri s LEU 17 CO 0.10 -0.98 0.16 -1.81 0.02 0.00 0.00 176.35 173.85 2cri s ASP 18 N -2.50 0.97 0.27 2.29 1.01 0.19 -1.07 116.67 117.82 2cri s ASP 18 Ca 0.65 0.18 -0.29 0.00 0.71 0.00 0.00 52.55 53.79 2cri s ASP 18 Cb -0.16 0.23 -0.09 0.00 1.01 0.00 0.00 42.92 43.91 2cri s ASP 18 CO 0.30 -0.26 1.25 -2.16 0.21 0.00 0.00 175.17 174.51 2cri s PRO 19 N 2.28 4.44 0.22 8.23 0.04 -1.26 -1.70 135.00 147.25 2cri s PRO 19 Ca 0.04 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.11 2cri s PRO 19 Cb -0.13 -3.15 0.22 0.00 0.04 0.00 0.00 34.50 31.48 2cri s PRO 19 CO -0.07 -0.11 1.59 -1.00 0.04 0.00 0.00 177.00 177.45 2cri h PRO 20 N 4.26 0.53 0.00 0.56 0.13 -1.48 -3.37 132.00 132.63 2cri h PRO 20 Ca -0.47 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 2cri h PRO 20 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2cri h PRO 20 CO 0.70 0.86 0.00 0.43 -0.23 0.00 0.00 178.00 179.77 2cri n SER 21 N -4.01 0.00 -3.90 1.44 7.64 -1.26 -4.93 113.62 108.60 2cri n SER 21 Ca -0.02 0.46 -0.10 0.00 1.01 0.00 0.00 58.87 60.22 2cri n SER 21 Cb 0.53 -0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.93 0.10 -0.30 6.43 1.01 -1.26 -4.58 116.67 116.15 2cri s ASP 22 Ca 0.00 -0.36 -0.21 0.00 0.71 0.00 0.00 52.55 52.70 2cri s ASP 22 Cb 0.00 0.20 -0.01 0.00 1.01 0.00 0.00 42.92 44.12 2cri s ASP 22 CO 0.00 -0.42 0.65 -0.22 0.21 0.00 0.00 175.17 175.40 2cri s LEU 23 N -1.67 4.12 -0.05 1.23 2.96 -1.24 -4.57 118.68 119.47 2cri s LEU 23 Ca -0.11 0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 54.17 2cri s LEU 23 Cb -0.05 -2.86 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 2cri s LEU 23 CO -0.01 -0.48 0.37 -0.54 -1.32 0.00 0.00 176.35 174.38 2cri s LYS 24 N 2.64 3.96 -0.17 1.98 1.02 -1.26 -1.20 119.74 126.71 2cri s LYS 24 Ca 0.26 0.32 -0.01 0.00 0.02 0.00 0.00 55.97 56.56 2cri s LYS 24 Cb -0.15 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 2cri s LYS 24 CO 0.11 0.58 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.95 2cri s PHE 25 N -0.67 2.85 -0.19 3.18 0.40 -0.44 -4.97 117.98 118.14 2cri s PHE 25 Ca 0.22 -0.92 -0.25 0.00 -0.60 0.00 0.00 56.93 55.37 2cri s PHE 25 Cb -0.16 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 2cri s PHE 25 CO 0.11 -0.44 0.85 0.21 0.70 0.00 0.00 175.22 176.65 2cri s LYS 26 N 0.91 4.27 0.00 0.44 2.47 -1.26 -1.85 119.74 124.72 2cri s LYS 26 Ca -0.03 1.03 0.00 0.00 -1.56 0.00 0.00 55.97 55.41 2cri s LYS 26 Cb -0.15 -3.59 0.00 0.00 -1.46 0.00 0.00 37.83 32.63 2cri s LYS 26 CO -0.00 -0.39 0.00 0.41 0.16 0.00 0.00 175.35 175.53 2cri n GLY 27 N 3.51 -1.42 1.61 5.54 0.00 -1.04 -4.76 105.19 108.64 2cri n GLY 27 Ca 0.05 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 2cri n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cri n PRO 28 N -0.25 -2.01 -0.04 1.61 -0.04 -1.26 -4.71 135.00 128.30 2cri n PRO 28 Ca 0.00 -0.80 0.06 0.00 -0.04 0.00 0.00 63.50 62.71 2cri n PRO 28 Cb 0.00 -0.75 0.07 0.00 -0.04 0.00 0.00 33.50 32.78 2cri n PRO 28 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2cri n PHE 29 N -3.60 0.12 1.09 0.54 3.72 -1.26 -4.46 117.46 113.61 2cri n PHE 29 Ca 0.07 -0.13 0.11 0.00 -0.05 0.00 0.00 57.45 57.45 2cri n PHE 29 Cb 0.27 -0.01 0.57 0.00 -0.94 0.00 0.00 39.48 39.37 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 0.61 0.28 -3.95 4.37 5.66 -1.26 -3.32 114.28 116.66 2cri n THR 30 Ca 0.08 0.07 -0.10 0.00 -3.05 0.00 0.00 64.05 61.05 2cri n THR 30 Cb 0.32 -0.71 -0.07 0.00 -1.55 0.00 0.00 70.33 68.32 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 -2.49 -0.01 0.15 1.09 2.15 -1.26 -4.93 116.67 111.38 2cri s ASP 31 Ca 0.23 -0.86 -0.34 0.00 0.43 0.00 0.00 52.55 52.00 2cri s ASP 31 Cb 0.15 0.47 -0.15 0.00 -0.30 0.00 0.00 42.92 43.09 2cri s ASP 31 CO 0.32 -0.94 1.37 0.52 -0.17 0.00 0.00 175.17 176.27 2cri n VAL 32 N -0.25 0.37 -4.13 1.11 0.31 -1.26 -4.30 118.33 110.17 2cri n VAL 32 Ca -0.06 -0.09 -0.23 0.00 -0.01 0.00 0.00 64.34 63.94 2cri n VAL 32 Cb 0.63 -1.12 -0.05 0.00 -0.91 0.00 0.00 33.84 32.39 2cri n VAL 32 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2cri s VAL 33 N 0.34 4.35 -0.08 2.52 1.01 0.66 -4.95 120.40 124.25 2cri s VAL 33 Ca 0.78 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2cri s VAL 33 Cb -0.81 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2cri s VAL 33 CO 0.46 -0.29 -0.02 -0.89 0.00 0.00 0.00 175.10 174.35 2cri s THR 34 N -2.06 0.58 -0.11 3.92 2.01 -1.26 -1.12 115.64 117.61 2cri s THR 34 Ca 0.32 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.31 2cri s THR 34 Cb -0.08 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.76 2cri s THR 34 CO 0.24 0.29 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.50 2cri s THR 35 N 1.89 1.02 -0.11 -0.82 2.01 0.14 -4.82 115.64 114.95 2cri s THR 35 Ca 0.05 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 2cri s THR 35 Cb -0.12 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 2cri s THR 35 CO -0.06 0.36 0.47 0.54 -0.69 0.00 0.00 174.62 175.24 2cri s ASN 36 N 1.65 6.69 -0.31 3.53 2.20 -1.26 0.52 114.94 127.96 2cri s ASN 36 Ca 0.04 0.82 -0.06 0.00 -0.94 0.00 0.00 52.86 52.72 2cri s ASN 36 Cb -0.13 -2.28 0.03 0.00 -2.00 0.00 0.00 41.25 36.87 2cri s ASN 36 CO -0.07 0.03 0.07 -0.22 -2.94 0.00 0.00 177.10 173.97 2cri s LEU 37 N 0.47 4.03 0.13 3.54 0.20 -0.37 -4.89 118.68 121.80 2cri s LEU 37 Ca 0.26 -0.98 -0.28 0.00 0.69 0.00 0.00 54.13 53.82 2cri s LEU 37 Cb -0.15 -1.84 -0.07 0.00 -0.43 0.00 0.00 46.19 43.70 2cri s LEU 37 CO 0.10 -0.26 0.86 -0.54 -0.29 0.00 0.00 176.35 176.23 2cri s LYS 38 N 1.42 4.65 -0.28 1.98 1.02 -0.69 -0.88 119.74 126.96 2cri s LYS 38 Ca -0.00 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.28 2cri s LYS 38 Cb -0.18 -3.33 0.08 0.00 -0.52 0.00 0.00 37.83 33.88 2cri s LYS 38 CO 0.02 0.37 0.04 -0.51 -0.92 0.00 0.00 175.35 174.35 2cri s LEU 39 N -0.50 2.57 0.30 3.17 1.43 0.46 -0.63 118.68 125.46 2cri s LEU 39 Ca 0.41 -1.49 -0.10 0.00 -1.03 0.00 0.00 54.13 51.93 2cri s LEU 39 Cb -0.23 -1.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.90 2cri s LEU 39 CO 0.28 -0.35 0.63 -1.58 0.23 0.00 0.00 176.35 175.56 2cri s GLN 40 N 1.48 3.79 -0.33 1.70 0.74 -0.66 -1.58 119.66 124.80 2cri s GLN 40 Ca 0.04 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.77 2cri s GLN 40 Cb -0.18 -2.55 0.10 0.00 1.10 0.00 0.00 33.01 31.48 2cri s GLN 40 CO -0.15 0.19 0.11 1.21 -0.55 0.00 0.00 175.29 176.09 2cri s ASN 41 N -2.72 4.06 0.49 6.67 2.47 -0.96 -1.71 114.94 123.24 2cri s ASN 41 Ca 0.49 -1.80 0.27 0.00 0.42 0.00 0.00 52.86 52.24 2cri s ASN 41 Cb -0.11 -0.96 1.16 0.00 -1.45 0.00 0.00 41.25 39.89 2cri s ASN 41 CO 0.25 -0.40 1.92 1.55 -3.72 0.00 0.00 177.10 176.70 2cri h PRO 42 N 7.88 0.00 0.00 0.43 0.13 -1.90 -2.20 132.00 136.35 2cri h PRO 42 Ca -0.11 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.73 2cri h PRO 42 Cb 1.00 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.30 2cri h PRO 42 CO 0.48 0.15 -0.10 -1.13 -0.23 0.00 0.00 178.00 177.17 2cri n SER 43 N -3.36 -3.39 -0.06 1.44 3.41 -1.26 -4.77 113.62 105.63 2cri n SER 43 Ca -0.00 -0.76 0.03 0.00 -0.26 0.00 0.00 58.87 57.89 2cri n SER 43 Cb 0.36 -0.79 0.05 0.00 -0.26 0.00 0.00 64.21 63.57 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 -5.11 1.74 -4.10 4.04 8.00 -1.26 -3.28 116.55 116.59 2cri n ASP 44 Ca 0.11 -2.26 -0.12 0.00 0.71 0.00 0.00 54.79 53.23 2cri n ASP 44 Cb 0.47 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.45 0.62 0.62 -1.24 1.70 -1.26 -4.78 118.95 113.15 2cri s ARG 45 Ca 0.11 -0.93 -0.18 0.00 -0.47 0.00 0.00 55.73 54.26 2cri s ARG 45 Cb 0.09 -0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.15 2cri s ARG 45 CO 0.01 0.03 0.95 1.63 -1.08 0.00 0.00 175.30 176.84 2cri n LYS 46 N 1.02 0.84 -3.74 3.89 5.02 -1.26 -4.37 118.16 119.55 2cri n LYS 46 Ca -0.20 0.33 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 2cri n LYS 46 Cb 0.56 -2.16 -0.12 0.00 -0.02 0.00 0.00 35.03 33.29 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 -1.54 -0.03 0.26 -0.18 1.01 -1.21 -1.09 120.40 117.63 2cri s VAL 47 Ca 0.77 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.71 2cri s VAL 47 Cb -0.41 -0.40 -0.08 0.00 0.00 0.00 0.00 36.38 35.49 2cri s VAL 47 CO 0.46 0.04 0.64 0.00 0.00 0.00 0.00 175.10 176.25 2cri s PHE 49 N -1.83 -0.17 -0.11 0.00 -0.12 -0.78 -1.46 117.98 113.51 2cri s PHE 49 Ca 0.49 0.40 -0.01 0.00 -0.05 0.00 0.00 56.93 57.77 2cri s PHE 49 Cb -0.12 0.05 0.03 0.00 -0.63 0.00 0.00 43.02 42.36 2cri s PHE 49 CO 0.19 -0.14 -0.06 0.15 -0.05 0.00 0.00 175.22 175.32 2cri s LYS 50 N -0.18 1.33 -0.53 1.99 1.02 -0.55 -2.46 119.74 120.35 2cri s LYS 50 Ca -0.03 -0.22 -0.27 0.00 0.02 0.00 0.00 55.97 55.47 2cri s LYS 50 Cb -0.02 -1.54 0.03 0.00 -0.52 0.00 0.00 37.83 35.78 2cri s LYS 50 CO 0.01 -0.30 1.06 0.08 -0.92 0.00 0.00 175.35 175.27 2cri s VAL 51 N 1.75 4.25 -0.14 3.17 1.01 -0.78 -2.46 120.40 127.21 2cri s VAL 51 Ca 0.04 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2cri s VAL 51 Cb -0.13 -4.59 -0.01 0.00 0.00 0.00 0.00 36.38 31.65 2cri s VAL 51 CO -0.08 -1.12 -0.15 -0.54 0.00 0.00 0.00 175.10 173.22 2cri s LYS 52 N 4.33 3.28 0.06 2.72 1.02 -1.02 -4.94 119.74 125.20 2cri s LYS 52 Ca 0.39 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 2cri s LYS 52 Cb -0.09 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 2cri s LYS 52 CO 0.25 0.13 -0.03 -0.08 -0.92 0.00 0.00 175.35 174.70 2cri s THR 53 N 0.54 0.29 -1.74 2.17 -1.32 -1.26 -2.12 115.64 112.19 2cri s THR 53 Ca -0.10 -1.84 0.21 0.00 -1.21 0.00 0.00 61.69 58.75 2cri s THR 53 Cb -0.16 -1.58 0.49 0.00 -1.51 0.00 0.00 72.50 69.74 2cri s THR 53 CO 0.04 -0.94 1.63 0.35 -2.21 0.00 0.00 174.62 173.49 2cri n THR 54 N 0.07 0.17 -3.87 5.08 -2.24 -1.22 -4.18 114.28 108.09 2cri n THR 54 Ca -0.13 0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.38 2cri n THR 54 Cb 0.61 -0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.26 3.62 0.06 6.98 0.00 -1.26 -4.94 121.76 123.96 2cri s ALA 55 Ca 0.26 -3.53 -0.19 0.00 0.00 0.00 0.00 51.96 48.50 2cri s ALA 55 Cb 0.14 -2.30 -0.13 0.00 0.00 0.00 0.00 23.12 20.83 2cri s ALA 55 CO 0.27 -2.07 1.37 -1.00 0.00 0.00 0.00 175.76 174.33 2cri h PRO 56 N 6.14 0.46 0.01 0.00 0.13 -1.84 -3.02 132.00 133.88 2cri h PRO 56 Ca 0.03 -0.24 -0.35 0.00 -0.87 0.00 0.00 66.00 64.57 2cri h PRO 56 Cb 0.84 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.93 2cri h PRO 56 CO 0.72 0.81 -1.94 -2.13 -0.23 0.00 0.00 178.00 175.23 2cri n ARG 57 N -4.47 0.60 -0.34 0.86 0.63 -1.26 -4.33 116.66 108.34 2cri n ARG 57 Ca -0.05 0.39 0.20 0.00 -0.92 0.00 0.00 57.85 57.46 2cri n ARG 57 Cb 0.39 -1.63 0.42 0.00 0.45 0.00 0.00 32.46 32.10 2cri n ARG 57 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2cri h ARG 58 N -0.80 0.47 -6.16 -0.14 2.43 -1.96 -3.39 114.38 104.83 2cri h ARG 58 Ca -0.52 -0.03 -0.66 0.00 -0.81 0.00 0.00 59.98 57.97 2cri h ARG 58 Cb 1.55 -0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.87 2cri h ARG 58 CO -0.25 0.31 -0.64 0.71 -1.51 0.00 0.00 179.97 178.60 2cri s TYR 59 N -5.72 3.10 -0.44 2.20 1.51 -1.14 -2.95 117.35 113.90 2cri s TYR 59 Ca -0.10 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 2cri s TYR 59 Cb 0.28 -1.66 0.13 0.00 -0.11 0.00 0.00 41.96 40.60 2cri s TYR 59 CO 0.80 0.48 0.22 0.00 -1.11 0.00 0.00 175.55 175.93 2cri s VAL 61 N 0.34 5.39 -0.22 0.00 -7.23 -1.26 -0.84 120.40 116.58 2cri s VAL 61 Ca 0.16 0.31 -0.09 0.00 -1.81 0.00 0.00 61.98 60.56 2cri s VAL 61 Cb -0.24 -3.50 0.09 0.00 0.56 0.00 0.00 36.38 33.29 2cri s VAL 61 CO -0.03 0.49 0.49 -0.13 -0.31 0.00 0.00 175.10 175.61 2cri s ARG 62 N -0.08 0.42 0.87 4.82 0.52 -0.39 -3.79 118.95 121.31 2cri s ARG 62 Ca 0.13 1.11 -0.11 0.00 -0.52 0.00 0.00 55.73 56.33 2cri s ARG 62 Cb -0.12 0.39 0.12 0.00 0.52 0.00 0.00 34.95 35.85 2cri s ARG 62 CO 0.02 -0.22 1.09 -1.25 0.02 0.00 0.00 175.30 174.96 2cri s PRO 63 N 2.42 1.43 0.00 3.54 0.04 -1.26 -1.76 135.00 139.41 2cri s PRO 63 Ca -0.04 0.88 0.15 0.00 0.04 0.00 0.00 61.00 62.03 2cri s PRO 63 Cb -0.11 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2cri s PRO 63 CO -0.15 -2.14 0.74 0.27 0.04 0.00 0.00 177.00 175.76 2cri n ASN 64 N -3.82 1.18 -3.60 6.66 6.94 -1.25 -4.67 115.26 116.70 2cri n ASN 64 Ca 0.07 -1.09 -0.09 0.00 -0.02 0.00 0.00 54.58 53.45 2cri n ASN 64 Cb 0.55 0.71 -0.06 0.00 -2.36 0.00 0.00 39.78 38.63 2cri n ASN 64 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2cri s SER 65 N -2.10 -0.35 0.00 0.53 1.04 -1.26 -1.86 113.70 109.70 2cri s SER 65 Ca 0.09 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2cri s SER 65 Cb 0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2cri s SER 65 CO 0.49 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.06 2cri n GLY 66 N 1.13 -0.65 3.08 7.32 0.00 -1.03 -5.04 105.19 110.01 2cri n GLY 66 Ca -0.10 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.66 0.89 -0.26 -0.61 1.01 -1.26 -1.86 121.20 115.45 2cri s ILE 67 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 2cri s ILE 67 Cb 0.00 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2cri s ILE 67 CO 0.00 0.09 0.01 -0.63 0.00 0.00 0.00 174.94 174.41 2cri s ILE 68 N -0.56 3.58 0.70 2.92 1.01 -0.64 -4.96 121.20 123.25 2cri s ILE 68 Ca 0.02 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 2cri s ILE 68 Cb -0.06 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 2cri s ILE 68 CO 0.00 0.24 0.83 0.47 0.00 0.00 0.00 174.94 176.48 2cri n ASP 69 N 4.81 -0.03 -4.69 3.58 9.92 -1.26 -3.32 116.55 125.55 2cri n ASP 69 Ca -0.16 0.66 -0.42 0.00 -0.53 0.00 0.00 54.79 54.34 2cri n ASP 69 Cb 0.49 -1.34 -0.03 0.00 -0.64 0.00 0.00 41.12 39.60 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 -3.06 4.28 -0.23 -0.24 0.04 -1.26 -2.71 135.00 131.82 2cri s PRO 70 Ca 0.71 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2cri s PRO 70 Cb -0.36 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2cri s PRO 70 CO 0.52 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.41 2cri n GLY 71 N 3.65 0.49 3.49 0.56 0.00 -0.82 -4.92 105.19 107.63 2cri n GLY 71 Ca 0.13 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.96 2.65 -0.03 1.61 0.01 -1.10 -4.96 113.70 108.92 2cri s SER 72 Ca 0.00 -1.48 0.02 0.00 1.31 0.00 0.00 55.95 55.81 2cri s SER 72 Cb 0.00 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2cri s SER 72 CO 0.00 -0.71 -0.09 -0.63 0.41 0.00 0.00 173.24 172.22 2cri s ILE 73 N -3.23 0.83 -0.08 1.44 1.01 -1.26 -2.28 121.20 117.64 2cri s ILE 73 Ca 0.31 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.59 2cri s ILE 73 Cb 0.07 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 2cri s ILE 73 CO 0.14 0.26 -0.09 -0.69 0.00 0.00 0.00 174.94 174.57 2cri s VAL 74 N 0.26 3.51 -0.38 2.92 1.01 -0.62 -4.91 120.40 122.20 2cri s VAL 74 Ca -0.04 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 2cri s VAL 74 Cb -0.10 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.90 2cri s VAL 74 CO 0.01 0.58 0.19 -0.89 0.00 0.00 0.00 175.10 174.98 2cri s THR 75 N -0.55 4.03 0.37 3.92 2.01 -1.26 -0.41 115.64 123.75 2cri s THR 75 Ca 0.08 -1.26 -0.17 0.00 0.31 0.00 0.00 61.69 60.65 2cri s THR 75 Cb -0.12 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 2cri s THR 75 CO 0.02 -0.35 0.81 -0.69 -0.69 0.00 0.00 174.62 173.72 2cri s VAL 76 N 1.41 4.59 -0.62 3.82 1.01 -0.06 -4.85 120.40 125.71 2cri s VAL 76 Ca 0.01 1.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.97 2cri s VAL 76 Cb -0.21 -3.62 0.16 0.00 0.00 0.00 0.00 36.38 32.71 2cri s VAL 76 CO 0.03 -0.27 0.54 -0.44 0.00 0.00 0.00 175.10 174.95 2cri s SER 77 N -2.34 6.16 -0.68 3.32 0.01 -0.72 -1.23 113.70 118.22 2cri s SER 77 Ca 0.57 -2.19 -0.17 0.00 1.31 0.00 0.00 55.95 55.47 2cri s SER 77 Cb -0.10 -2.13 0.13 0.00 0.21 0.00 0.00 66.02 64.14 2cri s SER 77 CO 0.18 -0.69 0.74 -0.69 0.41 0.00 0.00 173.24 173.19 2cri s VAL 78 N 0.96 5.03 -0.06 3.43 1.01 0.18 -1.27 120.40 129.69 2cri s VAL 78 Ca 0.09 -1.45 -0.16 0.00 0.00 0.00 0.00 61.98 60.47 2cri s VAL 78 Cb -0.22 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 2cri s VAL 78 CO -0.02 -1.12 0.42 -0.04 0.00 0.00 0.00 175.10 174.34 2cri s MET 79 N 2.01 4.11 -0.30 2.72 -1.94 -0.02 0.26 119.30 126.14 2cri s MET 79 Ca 0.14 0.40 -0.02 0.00 -1.71 0.00 0.00 55.69 54.50 2cri s MET 79 Cb -0.20 -3.32 0.05 0.00 2.01 0.00 0.00 34.83 33.37 2cri s MET 79 CO 0.01 0.45 -0.00 -1.17 -0.01 0.00 0.00 175.02 174.29 2cri s LEU 80 N -0.30 3.89 0.83 -0.03 0.20 -0.27 -0.32 118.68 122.67 2cri s LEU 80 Ca 0.24 -1.28 -0.13 0.00 0.69 0.00 0.00 54.13 53.65 2cri s LEU 80 Cb -0.16 -1.71 0.08 0.00 -0.43 0.00 0.00 46.19 43.97 2cri s LEU 80 CO 0.11 -0.26 1.05 0.00 -0.29 0.00 0.00 176.35 176.96 2cri n GLN 81 N 4.62 0.05 -2.14 1.98 1.13 -1.15 -0.24 117.38 121.62 2cri n GLN 81 Ca -0.13 0.09 -0.43 0.00 -1.94 0.00 0.00 57.00 54.59 2cri n GLN 81 Cb 0.43 -2.31 -0.03 0.00 0.11 0.00 0.00 30.24 28.44 2cri n GLN 81 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2cri s PRO 82 N -4.01 4.09 0.03 -1.09 0.04 -1.26 -4.76 135.00 128.05 2cri s PRO 82 Ca 0.70 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.66 2cri s PRO 82 Cb -0.28 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.29 2cri s PRO 82 CO 0.54 -0.93 -0.04 -0.59 0.04 0.00 0.00 177.00 176.03 2cri s PHE 83 N 4.20 0.39 -0.45 0.56 -0.12 -1.21 -4.98 117.98 116.38 2cri s PHE 83 Ca 0.68 -0.67 -0.28 0.00 -0.05 0.00 0.00 56.93 56.61 2cri s PHE 83 Cb -0.28 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 41.81 2cri s PHE 83 CO 0.26 -0.22 1.84 -0.51 -0.05 0.00 0.00 175.22 176.54 2cri s ASP 84 N -1.89 5.60 -0.49 1.98 1.11 -1.26 -4.78 116.67 116.93 2cri s ASP 84 Ca -0.09 0.92 -0.29 0.00 0.18 0.00 0.00 52.55 53.28 2cri s ASP 84 Cb -0.05 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.43 2cri s ASP 84 CO -0.03 -2.01 1.29 -0.47 1.18 0.00 0.00 175.17 175.12 2cri s TYR 85 N 7.95 2.55 -0.69 4.23 5.04 -1.26 -4.97 117.35 130.19 2cri s TYR 85 Ca 0.75 0.61 -0.10 0.00 -2.44 0.00 0.00 57.07 55.90 2cri s TYR 85 Cb -0.18 -4.41 0.18 0.00 0.35 0.00 0.00 41.96 37.90 2cri s TYR 85 CO 0.28 -1.68 0.58 0.34 -1.34 0.00 0.00 175.55 173.73 2cri s ASP 86 N 3.39 6.06 0.12 4.32 -1.08 -1.26 -4.91 116.67 123.30 2cri s ASP 86 Ca 0.52 -2.59 -0.13 0.00 -0.52 0.00 0.00 52.55 49.83 2cri s ASP 86 Cb -0.10 -2.06 -0.07 0.00 -1.46 0.00 0.00 42.92 39.23 2cri s ASP 86 CO 0.30 -0.53 1.44 1.55 0.52 0.00 0.00 175.17 178.45 2cri h PRO 87 N 7.67 0.80 -0.76 4.34 0.13 -1.95 -3.20 132.00 139.03 2cri h PRO 87 Ca -0.00 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2cri h PRO 87 Cb 1.02 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.13 2cri h PRO 87 CO 0.77 1.05 0.48 -2.95 -0.23 0.00 0.00 178.00 177.12 2cri h ASN 88 N 0.57 0.89 -2.49 1.44 -1.07 -2.04 -3.44 115.58 109.45 2cri h ASN 88 Ca 0.05 -0.05 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 2cri h ASN 88 Cb 0.91 -0.22 0.10 0.00 -2.07 0.00 0.00 38.32 37.03 2cri h ASN 88 CO 0.08 0.67 0.07 -0.62 0.07 0.00 0.00 177.43 177.71 2cri n GLU 89 N -4.52 -1.96 -2.95 4.14 -0.58 -1.21 -5.03 120.64 108.53 2cri n GLU 89 Ca 0.07 -0.90 -0.30 0.00 -0.42 0.00 0.00 57.16 55.61 2cri n GLU 89 Cb 0.04 -0.82 -0.03 0.00 -0.57 0.00 0.00 31.44 30.06 2cri n GLU 89 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2cri s LYS 90 N -4.28 3.77 -0.14 3.49 -2.85 -1.26 -5.02 119.74 113.44 2cri s LYS 90 Ca 0.36 0.42 0.00 0.00 -1.00 0.00 0.00 55.97 55.75 2cri s LYS 90 Cb -0.03 -2.43 0.03 0.00 -2.06 0.00 0.00 37.83 33.33 2cri s LYS 90 CO 0.28 0.02 -0.11 -1.54 0.10 0.00 0.00 175.35 174.09 2cri s SER 91 N -3.09 2.57 -0.41 0.03 1.04 -1.26 -5.02 113.70 107.57 2cri s SER 91 Ca 0.50 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.51 2cri s SER 91 Cb -0.10 -1.06 0.11 0.00 0.10 0.00 0.00 66.02 65.07 2cri s SER 91 CO 0.30 -0.09 0.14 -0.75 0.98 0.00 0.00 173.24 173.82 2cri s LYS 92 N 1.56 1.67 0.19 4.02 2.20 -1.26 -5.07 119.74 123.05 2cri s LYS 92 Ca 0.04 -2.17 -0.23 0.00 -0.36 0.00 0.00 55.97 53.26 2cri s LYS 92 Cb -0.13 -3.22 0.05 0.00 -1.51 0.00 0.00 37.83 33.02 2cri s LYS 92 CO -0.10 -1.01 0.67 -1.58 -0.36 0.00 0.00 175.35 172.97 2cri s HIS 93 N 0.43 -0.40 0.11 4.03 2.46 -1.26 -5.09 115.29 115.57 2cri s HIS 93 Ca 0.13 0.11 -0.25 0.00 0.47 0.00 0.00 55.06 55.52 2cri s HIS 93 Cb -0.22 0.61 0.08 0.00 -0.13 0.00 0.00 32.58 32.92 2cri s HIS 93 CO -0.05 -0.96 0.73 0.21 -2.47 0.00 0.00 174.74 172.20 2cri s LYS 94 N -3.76 1.16 -0.13 2.88 2.20 -1.26 -4.89 119.74 115.95 2cri s LYS 94 Ca 0.05 -0.47 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 2cri s LYS 94 Cb -0.03 0.51 0.04 0.00 -1.51 0.00 0.00 37.83 36.84 2cri s LYS 94 CO -0.06 -0.51 -0.02 0.12 -0.36 0.00 0.00 175.35 174.52 2cri s PHE 95 N -3.52 1.14 0.04 4.03 5.36 0.19 -3.46 117.98 121.76 2cri s PHE 95 Ca 0.04 -0.63 0.08 0.00 -0.96 0.00 0.00 56.93 55.46 2cri s PHE 95 Cb -0.01 -1.05 -0.03 0.00 -0.34 0.00 0.00 43.02 41.58 2cri s PHE 95 CO -0.09 -0.49 -0.21 -1.64 -1.46 0.00 0.00 175.22 171.34 2cri s MET 96 N 1.82 1.99 -0.09 10.12 -1.94 -0.90 0.74 119.30 131.03 2cri s MET 96 Ca 0.03 -1.02 0.01 0.00 -1.71 0.00 0.00 55.69 52.99 2cri s MET 96 Cb -0.14 -2.12 0.02 0.00 2.01 0.00 0.00 34.83 34.60 2cri s MET 96 CO -0.07 0.53 -0.09 0.08 -0.01 0.00 0.00 175.02 175.47 2cri s VAL 97 N -0.89 0.99 -0.13 -6.03 1.01 -0.85 -2.43 120.40 112.07 2cri s VAL 97 Ca 0.14 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 2cri s VAL 97 Cb -0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2cri s VAL 97 CO 0.04 0.35 0.13 -1.58 0.00 0.00 0.00 175.10 174.04 2cri s GLN 98 N 1.32 3.58 -0.03 2.72 0.74 -1.03 -1.14 119.66 125.82 2cri s GLN 98 Ca -0.03 -0.15 -0.03 0.00 0.05 0.00 0.00 55.36 55.20 2cri s GLN 98 Cb -0.14 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.76 2cri s GLN 98 CO -0.04 0.68 0.08 0.95 -0.55 0.00 0.00 175.29 176.42 2cri s THR 99 N -0.75 0.00 -0.12 -0.34 -4.23 -0.00 -1.48 115.64 108.71 2cri s THR 99 Ca 0.14 -0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.41 2cri s THR 99 Cb -0.12 -0.13 0.05 0.00 1.34 0.00 0.00 72.50 73.64 2cri s THR 99 CO 0.03 -0.02 0.50 -0.51 -0.54 0.00 0.00 174.62 174.08 2cri s ILE 100 N -0.02 0.01 0.63 2.99 2.07 -0.54 -2.73 121.20 123.62 2cri s ILE 100 Ca -0.01 -0.11 -0.18 0.00 -1.41 0.00 0.00 60.65 58.94 2cri s ILE 100 Cb -0.01 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 2cri s ILE 100 CO 0.00 -0.06 1.15 0.49 -1.91 0.00 0.00 174.94 174.61 2cri n PHE 101 N 2.06 1.44 -5.11 3.50 3.01 -1.26 -0.62 117.46 120.48 2cri n PHE 101 Ca -0.16 0.42 -0.32 0.00 1.01 0.00 0.00 57.45 58.40 2cri n PHE 101 Cb 0.56 -2.21 -0.15 0.00 -0.01 0.00 0.00 39.48 37.67 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 -1.44 2.35 1.01 4.37 0.00 -0.25 -4.62 121.76 123.18 2cri s ALA 102 Ca 0.80 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 2cri s ALA 102 Cb -0.39 -0.81 0.19 0.00 0.00 0.00 0.00 23.12 22.11 2cri s ALA 102 CO 0.43 0.44 1.09 -1.25 0.00 0.00 0.00 175.76 176.47 2cri s PRO 103 N -0.27 0.34 0.49 0.00 0.04 -1.26 -4.47 135.00 129.87 2cri s PRO 103 Ca 0.00 0.50 0.28 0.00 0.04 0.00 0.00 61.00 61.81 2cri s PRO 103 Cb -0.13 -1.73 1.16 0.00 0.04 0.00 0.00 34.50 33.84 2cri s PRO 103 CO 0.03 -2.78 1.92 -1.00 0.04 0.00 0.00 177.00 175.20 2cri h PRO 104 N -1.93 0.00 0.00 0.56 0.13 -2.00 -3.33 132.00 125.43 2cri h PRO 104 Ca -0.55 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.50 2cri h PRO 104 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2cri h PRO 104 CO 0.58 0.14 -1.12 -1.71 -0.23 0.00 0.00 178.00 175.66 2cri n ASN 105 N -3.35 1.90 -3.85 1.44 2.85 -1.26 -4.97 115.26 108.02 2cri n ASN 105 Ca -0.00 0.42 -0.25 0.00 -0.11 0.00 0.00 54.58 54.64 2cri n ASN 105 Cb 0.36 -0.80 -0.05 0.00 1.24 0.00 0.00 39.78 40.52 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cri n ILE 106 N -4.47 -0.97 -0.27 -1.44 3.06 -1.25 -4.77 119.36 109.25 2cri n ILE 106 Ca -0.19 -0.37 -0.08 0.00 -2.50 0.00 0.00 62.75 59.60 2cri n ILE 106 Cb 0.52 -0.91 -0.04 0.00 0.54 0.00 0.00 39.64 39.75 2cri n ILE 106 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 2cri h SER 107 N -1.03 -1.65 -3.32 9.51 4.64 -1.94 -3.38 113.55 116.39 2cri h SER 107 Ca -0.49 0.27 -0.65 0.00 -0.47 0.00 0.00 61.79 60.45 2cri h SER 107 Cb 1.01 0.75 -0.26 0.00 -0.31 0.00 0.00 62.40 63.59 2cri h SER 107 CO 0.48 -0.32 -0.74 -1.81 -0.87 0.00 0.00 176.83 173.57 2cri s ASP 108 N -5.24 4.17 -0.02 4.97 1.01 -1.26 -5.03 116.67 115.27 2cri s ASP 108 Ca -0.14 -0.30 -0.24 0.00 0.71 0.00 0.00 52.55 52.58 2cri s ASP 108 Cb 0.13 -1.65 -0.18 0.00 1.01 0.00 0.00 42.92 42.24 2cri s ASP 108 CO 0.66 0.15 1.16 0.24 0.21 0.00 0.00 175.17 177.58 2cri h MET 109 N 6.83 -0.20 -0.03 8.23 2.86 -1.99 -2.99 114.93 127.63 2cri h MET 109 Ca -0.28 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2cri h MET 109 Cb 1.20 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.86 2cri h MET 109 CO 0.57 0.20 -0.23 1.05 1.06 0.00 0.00 176.91 179.57 2cri h GLU 110 N -0.68 -0.33 -0.84 1.72 -0.00 -1.97 -2.00 114.58 110.48 2cri h GLU 110 Ca -0.02 0.02 0.21 0.00 -0.00 0.00 0.00 59.36 59.57 2cri h GLU 110 Cb 0.49 0.08 -0.13 0.00 -0.00 0.00 0.00 28.75 29.19 2cri h GLU 110 CO 0.03 -0.22 0.23 0.00 -0.00 0.00 0.00 179.01 179.05 2cri h ALA 111 N 0.54 1.20 -0.25 1.06 0.00 -2.00 -0.52 119.26 119.28 2cri h ALA 111 Ca 0.07 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2cri h ALA 111 Cb 0.44 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2cri h ALA 111 CO -0.23 -0.42 -0.29 0.28 0.00 0.00 0.00 179.25 178.60 2cri h VAL 112 N 0.24 0.32 -0.85 0.00 2.07 -1.21 0.34 116.25 117.16 2cri h VAL 112 Ca 0.51 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.10 2cri h VAL 112 Cb 0.99 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2cri h VAL 112 CO -0.61 0.00 0.52 -0.50 0.02 0.00 0.00 177.57 177.00 2cri h TRP 113 N -0.29 0.97 0.43 1.57 4.06 -1.02 0.17 115.95 121.84 2cri h TRP 113 Ca 0.14 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.09 2cri h TRP 113 Cb 0.51 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 2cri h TRP 113 CO -0.44 0.47 -0.21 0.87 -3.56 0.00 0.00 178.44 175.57 2cri h LYS 114 N 0.94 -0.56 -0.33 0.49 6.56 -0.60 -2.71 116.57 120.36 2cri h LYS 114 Ca 0.38 0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.97 2cri h LYS 114 Cb 0.21 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.98 2cri h LYS 114 CO -0.19 -0.38 0.06 0.93 -2.06 0.00 0.00 179.45 177.82 2cri h GLU 115 N -0.59 0.49 -6.61 3.15 5.08 -0.64 -3.43 114.58 112.03 2cri h GLU 115 Ca -0.06 -0.08 -0.54 0.00 -1.00 0.00 0.00 59.36 57.68 2cri h GLU 115 Cb 0.45 -0.08 0.06 0.00 0.50 0.00 0.00 28.75 29.68 2cri h GLU 115 CO 0.09 0.47 0.93 0.00 -1.00 0.00 0.00 179.01 179.49 2cri n ALA 116 N -2.48 2.30 -2.36 3.43 0.00 0.58 -4.98 120.51 117.00 2cri n ALA 116 Ca 0.02 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.57 2cri n ALA 116 Cb 0.19 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 17.15 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 1.00 3.73 0.00 0.00 -0.14 -1.26 -4.94 119.74 118.12 2cri s LYS 117 Ca 0.76 0.25 0.15 0.00 -1.36 0.00 0.00 55.97 55.77 2cri s LYS 117 Cb -0.57 -2.53 0.86 0.00 -1.68 0.00 0.00 37.83 33.91 2cri s LYS 117 CO 0.35 0.12 1.37 -0.35 -0.76 0.00 0.00 175.35 176.08 2cri n PRO 118 N -0.96 0.39 0.03 -1.68 -0.04 -1.26 -1.70 135.00 129.77 2cri n PRO 118 Ca 0.00 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 2cri n PRO 118 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2cri n PRO 118 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2cri n ASP 119 N -1.11 0.34 -0.01 3.54 2.03 -1.26 -4.28 116.55 115.81 2cri n ASP 119 Ca 0.10 0.14 0.07 0.00 0.52 0.00 0.00 54.79 55.62 2cri n ASP 119 Cb 0.08 1.31 -0.11 0.00 -0.72 0.00 0.00 41.12 41.67 2cri n ASP 119 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2cri n GLU 120 N -2.47 0.77 -2.44 -0.67 -0.58 -0.87 -4.98 120.64 109.41 2cri n GLU 120 Ca -0.04 -0.11 -0.41 0.00 -0.42 0.00 0.00 57.16 56.17 2cri n GLU 120 Cb 0.61 -1.32 -0.04 0.00 -0.57 0.00 0.00 31.44 30.12 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 -3.79 4.47 -0.17 -4.62 1.43 -0.69 -4.99 118.68 110.32 2cri s LEU 121 Ca -0.04 2.17 -0.07 0.00 -1.03 0.00 0.00 54.13 55.16 2cri s LEU 121 Cb 0.10 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2cri s LEU 121 CO 0.61 -0.30 0.08 -0.04 0.23 0.00 0.00 176.35 176.92 2cri s MET 122 N -0.32 3.86 0.25 1.70 -1.94 -1.11 -4.95 119.30 116.79 2cri s MET 122 Ca 0.51 -0.29 0.11 0.00 -1.71 0.00 0.00 55.69 54.30 2cri s MET 122 Cb -0.31 -3.22 -0.05 0.00 2.01 0.00 0.00 34.83 33.26 2cri s MET 122 CO 0.36 0.39 -0.19 0.16 -0.01 0.00 0.00 175.02 175.73 2cri s ASP 123 N 0.06 3.28 -0.07 3.03 1.47 -1.26 -0.82 116.67 122.36 2cri s ASP 123 Ca 0.07 -1.01 -0.00 0.00 1.18 0.00 0.00 52.55 52.78 2cri s ASP 123 Cb -0.12 -0.25 0.03 0.00 -0.34 0.00 0.00 42.92 42.24 2cri s ASP 123 CO 0.00 -0.01 -0.02 -0.94 0.68 0.00 0.00 175.17 174.88 2cri s SER 124 N -3.36 1.41 -0.39 2.11 1.04 -0.29 -4.95 113.70 109.26 2cri s SER 124 Ca 0.27 -0.12 -0.25 0.00 0.48 0.00 0.00 55.95 56.33 2cri s SER 124 Cb -0.04 -0.47 0.02 0.00 0.10 0.00 0.00 66.02 65.62 2cri s SER 124 CO 0.12 -0.14 0.89 -0.54 0.98 0.00 0.00 173.24 174.55 2cri s LYS 125 N 1.59 3.74 0.00 4.02 1.02 -1.26 -2.01 119.74 126.84 2cri s LYS 125 Ca -0.00 0.41 0.05 0.00 0.02 0.00 0.00 55.97 56.44 2cri s LYS 125 Cb -0.13 -3.84 -0.01 0.00 -0.52 0.00 0.00 37.83 33.33 2cri s LYS 125 CO -0.04 -1.00 -0.16 -1.17 -0.92 0.00 0.00 175.35 172.06 2cri s LEU 126 N 3.46 2.07 -0.17 3.17 0.20 0.23 -5.02 118.68 122.61 2cri s LEU 126 Ca 0.36 -0.34 -0.03 0.00 0.69 0.00 0.00 54.13 54.82 2cri s LEU 126 Cb -0.12 -0.80 -0.02 0.00 -0.43 0.00 0.00 46.19 44.83 2cri s LEU 126 CO 0.20 0.17 -0.07 -0.60 -0.29 0.00 0.00 176.35 175.76 2cri s ARG 127 N -0.57 3.47 -0.12 1.98 3.52 -1.26 0.56 118.95 126.52 2cri s ARG 127 Ca 0.06 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.75 2cri s ARG 127 Cb -0.07 -2.86 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 2cri s ARG 127 CO -0.00 0.06 1.20 0.00 -0.81 0.00 0.00 175.30 175.75 2cri s VAL 129 N 2.84 4.87 -0.50 0.00 1.01 -0.34 -5.00 120.40 123.27 2cri s VAL 129 Ca 0.54 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 2cri s VAL 129 Cb -0.22 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2cri s VAL 129 CO 0.17 0.06 0.78 -0.36 0.00 0.00 0.00 175.10 175.76 2cri s PHE 130 N 1.66 2.94 0.31 5.22 0.40 -1.26 -1.33 117.98 125.91 2cri s PHE 130 Ca 0.05 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.32 2cri s PHE 130 Cb -0.17 -3.75 -0.02 0.00 0.51 0.00 0.00 43.02 39.58 2cri s PHE 130 CO 0.08 -1.13 0.34 -1.21 0.70 0.00 0.00 175.22 174.00 2cri s GLU 131 N 3.31 2.97 -0.02 0.44 0.41 -0.77 -4.97 118.70 120.06 2cri s GLU 131 Ca 0.25 -1.10 0.01 0.00 -0.41 0.00 0.00 54.97 53.72 2cri s GLU 131 Cb -0.15 -2.65 0.02 0.00 -1.78 0.00 0.00 34.13 29.57 2cri s GLU 131 CO 0.18 0.19 -0.03 -1.64 -0.49 0.00 0.00 175.26 173.47 2cri s MET 132 N -4.02 0.48 -0.51 1.61 -1.94 -1.26 -2.49 119.30 111.17 2cri s MET 132 Ca 0.40 -0.06 -0.27 0.00 -1.71 0.00 0.00 55.69 54.04 2cri s MET 132 Cb -0.08 -0.54 -0.02 0.00 2.01 0.00 0.00 34.83 36.21 2cri s MET 132 CO 0.28 -0.04 1.81 -1.25 -0.01 0.00 0.00 175.02 175.81 2cri s PRO 133 N 0.59 2.91 -1.29 2.03 0.04 -1.26 -4.90 135.00 133.11 2cri s PRO 133 Ca -0.07 0.88 -0.08 0.00 0.04 0.00 0.00 61.00 61.77 2cri s PRO 133 Cb -0.10 -4.30 0.15 0.00 0.04 0.00 0.00 34.50 30.29 2cri s PRO 133 CO -0.01 -2.39 2.07 -1.71 0.04 0.00 0.00 177.00 175.01 2cri n ASN 134 N 11.73 6.31 -4.42 6.66 5.15 -1.26 -4.94 115.26 134.48 2cri n ASN 134 Ca 0.21 -3.13 -0.33 0.00 -0.60 0.00 0.00 54.58 50.73 2cri n ASN 134 Cb 0.50 -1.43 -0.14 0.00 -0.53 0.00 0.00 39.78 38.19 2cri n ASN 134 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2cri s GLU 135 N -0.31 3.46 0.00 1.20 2.56 -1.26 -4.97 118.70 119.38 2cri s GLU 135 Ca 0.45 -0.63 0.00 0.00 0.00 0.00 0.00 54.97 54.79 2cri s GLU 135 Cb 0.13 -2.72 0.00 0.00 2.00 0.00 0.00 34.13 33.54 2cri s GLU 135 CO -0.03 0.24 0.00 0.09 -0.56 0.00 0.00 175.26 175.00 2cri n ASN 136 N 3.48 3.58 -4.25 -1.70 3.02 -1.26 -5.00 115.26 113.12 2cri n ASN 136 Ca -0.18 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.02 2cri n ASN 136 Cb 0.53 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.56 2cri n ASN 136 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2cri s ASP 137 N -3.89 4.52 -0.75 6.41 -4.77 -1.26 -5.03 116.67 111.90 2cri s ASP 137 Ca 0.00 -0.76 -0.34 0.00 -3.30 0.00 0.00 52.55 48.15 2cri s ASP 137 Cb 0.00 -1.73 -0.20 0.00 -1.09 0.00 0.00 42.92 39.90 2cri s ASP 137 CO 0.00 -0.13 2.33 1.17 0.70 0.00 0.00 175.17 179.25 2cri n LYS 138 N 4.74 0.00 -3.39 2.11 4.81 -1.26 -4.83 118.16 120.34 2cri n LYS 138 Ca -0.16 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.84 2cri n LYS 138 Cb 0.48 -1.42 -0.02 0.00 0.02 0.00 0.00 35.03 34.09 2cri n LYS 138 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2cri s LEU 139 N 7.34 6.33 -1.70 3.14 1.43 -1.26 -4.68 118.68 129.27 2cri s LEU 139 Ca 1.22 -3.26 -0.16 0.00 -1.03 0.00 0.00 54.13 50.90 2cri s LEU 139 Cb -1.29 -2.15 0.15 0.00 0.03 0.00 0.00 46.19 42.93 2cri s LEU 139 CO 0.53 -0.38 0.65 0.59 0.23 0.00 0.00 176.35 177.97 2cri n ASN 140 N 3.14 -2.33 -0.10 2.29 3.02 -1.26 -4.85 115.26 115.17 2cri n ASN 140 Ca 0.19 -1.09 -0.13 0.00 -0.03 0.00 0.00 54.58 53.52 2cri n ASN 140 Cb 0.42 -2.44 -0.05 0.00 -0.61 0.00 0.00 39.78 37.10 2cri n ASN 140 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2cri n ASP 141 N -2.66 1.91 -4.28 6.41 8.00 -1.26 -4.98 116.55 119.68 2cri n ASP 141 Ca 0.01 0.40 -0.36 0.00 0.71 0.00 0.00 54.79 55.55 2cri n ASP 141 Cb 0.52 -0.80 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 2cri n ASP 141 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2cri n SER 142 N -4.45 -1.80 0.00 -2.24 3.41 -1.26 -4.47 113.62 102.81 2cri n SER 142 Ca -0.22 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 2cri n SER 142 Cb 0.56 -2.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.19 2cri n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cri n GLY 143 N -1.58 -1.59 3.62 5.00 0.00 -1.26 -4.88 105.19 104.51 2cri n GLY 143 Ca -0.03 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 2cri n GLY 143 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cri s PRO 144 N 0.00 3.73 -0.07 1.61 0.04 -1.26 -4.98 135.00 134.07 2cri s PRO 144 Ca 0.00 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.37 2cri s PRO 144 Cb 0.00 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 2cri s PRO 144 CO 0.00 -1.37 0.88 0.45 0.04 0.00 0.00 177.00 176.99 2cri s SER 145 N 4.43 7.17 -0.13 6.66 0.15 -1.26 -4.93 113.70 125.79 2cri s SER 145 Ca 0.72 1.42 0.15 0.00 0.70 0.00 0.00 55.95 58.94 2cri s SER 145 Cb -0.24 -2.50 0.30 0.00 -1.71 0.00 0.00 66.02 61.87 2cri s SER 145 CO 0.30 -0.27 1.15 -1.54 1.20 0.00 0.00 173.24 174.08 2cri n SER 146 N 4.29 1.84 0.00 5.45 3.41 -1.26 -5.24 113.62 122.11 2cri n SER 146 Ca 0.04 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 2cri n SER 146 Cb 0.50 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2cri n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49