#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 -0.56 0.13 1.61 1.04 -1.26 -5.05 113.70 109.61 2cri s SER 2 Ca 0.00 0.32 -0.21 0.00 0.48 0.00 0.00 55.95 56.54 2cri s SER 2 Cb 0.00 1.46 -0.03 0.00 0.10 0.00 0.00 66.02 67.54 2cri s SER 2 CO 0.00 -0.10 1.70 0.77 0.98 0.00 0.00 173.24 176.58 2cri h SER 3 N 7.94 -0.25 -2.30 7.02 4.64 -2.07 -3.43 113.55 125.11 2cri h SER 3 Ca -0.14 0.06 -0.50 0.00 -0.47 0.00 0.00 61.79 60.74 2cri h SER 3 Cb 1.17 0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.37 2cri h SER 3 CO -0.06 -0.10 -0.50 -0.83 -0.87 0.00 0.00 176.83 174.47 2cri s GLY 4 N -2.59 1.42 -0.45 -0.77 0.00 -1.26 -5.09 107.32 98.58 2cri s GLY 4 Ca -0.14 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.31 2cri s GLY 4 CO 0.68 -1.33 0.23 -0.45 0.00 0.00 0.00 173.10 172.23 2cri s SER 5 N -3.73 3.89 0.49 1.64 0.15 -1.26 -5.10 113.70 109.77 2cri s SER 5 Ca 0.33 -2.64 0.04 0.00 0.70 0.00 0.00 55.95 54.37 2cri s SER 5 Cb -0.09 -1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.00 2cri s SER 5 CO 0.26 -0.27 0.11 -0.44 1.20 0.00 0.00 173.24 174.10 2cri s SER 6 N 0.29 4.23 0.00 5.45 0.01 -1.26 -5.00 113.70 117.42 2cri s SER 6 Ca 0.17 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.97 2cri s SER 6 Cb -0.24 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2cri s SER 6 CO -0.01 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.45 2cri n GLY 7 N -1.31 -1.49 3.22 3.44 0.00 -1.26 -5.15 105.19 102.65 2cri n GLY 7 Ca -0.11 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.46 3.08 -0.29 1.61 0.00 -1.26 -5.10 119.30 115.88 2cri s MET 8 Ca 0.00 -0.85 -0.16 0.00 0.00 0.00 0.00 55.69 54.68 2cri s MET 8 Cb 0.00 -2.38 0.17 0.00 0.00 0.00 0.00 34.83 32.62 2cri s MET 8 CO 0.00 0.13 1.08 0.00 0.00 0.00 0.00 175.02 176.23 2cri s ALA 9 N 0.48 -2.42 -0.56 3.16 0.00 -1.26 -5.11 121.76 116.04 2cri s ALA 9 Ca -0.15 2.12 -0.28 0.00 0.00 0.00 0.00 51.96 53.65 2cri s ALA 9 Cb -0.17 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.15 2cri s ALA 9 CO 0.06 -0.33 1.40 0.15 0.00 0.00 0.00 175.76 177.04 2cri s LYS 10 N 1.21 3.32 -0.27 0.00 3.01 -1.26 -4.98 119.74 120.77 2cri s LYS 10 Ca -0.08 0.45 -0.20 0.00 -1.01 0.00 0.00 55.97 55.12 2cri s LYS 10 Cb -0.03 -4.12 -0.02 0.00 -1.01 0.00 0.00 37.83 32.65 2cri s LYS 10 CO -0.13 -1.92 0.62 -3.38 0.51 0.00 0.00 175.35 171.05 2cri s HIS 11 N 5.99 3.26 -1.07 3.18 -3.43 -1.26 -5.00 115.29 116.96 2cri s HIS 11 Ca 0.52 0.75 -0.07 0.00 -0.80 0.00 0.00 55.06 55.46 2cri s HIS 11 Cb -0.11 -2.87 0.27 0.00 -1.43 0.00 0.00 32.58 28.44 2cri s HIS 11 CO 0.25 -0.36 1.08 0.39 -2.00 0.00 0.00 174.74 174.10 2cri n GLU 12 N 5.74 3.43 -3.91 -0.38 1.02 -1.26 -5.00 120.64 120.28 2cri n GLU 12 Ca -0.01 -4.47 -0.10 0.00 -0.02 0.00 0.00 57.16 52.56 2cri n GLU 12 Cb 0.49 -2.52 -0.09 0.00 -0.02 0.00 0.00 31.44 29.30 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 -1.45 0.56 -0.10 3.49 -2.07 -1.26 -4.67 119.66 114.15 2cri s GLN 13 Ca 0.30 -0.65 0.16 0.00 -1.82 0.00 0.00 55.36 53.36 2cri s GLN 13 Cb -0.08 0.22 0.59 0.00 -1.09 0.00 0.00 33.01 32.65 2cri s GLN 13 CO -0.07 -0.14 1.50 1.51 -1.32 0.00 0.00 175.29 176.77 2cri n ILE 14 N 0.97 1.77 -4.35 3.63 0.13 -1.26 -4.92 119.36 115.33 2cri n ILE 14 Ca -0.20 -1.31 -0.21 0.00 -1.10 0.00 0.00 62.75 59.92 2cri n ILE 14 Cb 0.58 0.12 -0.16 0.00 -0.84 0.00 0.00 39.64 39.33 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 -1.89 1.53 -0.66 9.51 1.43 -1.26 -4.29 118.68 123.06 2cri s LEU 15 Ca 0.43 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 2cri s LEU 15 Cb 0.29 -0.59 0.10 0.00 0.03 0.00 0.00 46.19 46.02 2cri s LEU 15 CO 0.19 0.00 0.82 -0.69 0.23 0.00 0.00 176.35 176.90 2cri s VAL 16 N 0.67 4.70 0.55 -1.59 1.01 -0.76 -4.96 120.40 120.02 2cri s VAL 16 Ca -0.11 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 2cri s VAL 16 Cb -0.14 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 2cri s VAL 16 CO 0.01 -1.26 1.11 -0.76 0.00 0.00 0.00 175.10 174.20 2cri s LEU 17 N 2.97 3.70 -0.11 3.92 1.02 -1.26 -1.71 118.68 127.22 2cri s LEU 17 Ca 0.17 2.09 -0.04 0.00 0.02 0.00 0.00 54.13 56.37 2cri s LEU 17 Cb -0.20 -4.57 0.06 0.00 0.02 0.00 0.00 46.19 41.50 2cri s LEU 17 CO 0.05 -1.20 0.19 -0.62 0.02 0.00 0.00 176.35 174.79 2cri s ASP 18 N -1.98 0.73 0.26 2.29 -1.08 0.28 -1.30 116.67 115.87 2cri s ASP 18 Ca 0.70 0.34 -0.30 0.00 -0.52 0.00 0.00 52.55 52.78 2cri s ASP 18 Cb -0.22 0.39 -0.09 0.00 -1.46 0.00 0.00 42.92 41.54 2cri s ASP 18 CO 0.28 -0.25 1.27 -2.16 0.52 0.00 0.00 175.17 174.83 2cri s PRO 19 N 2.33 4.43 0.24 4.34 0.04 -1.26 -1.61 135.00 143.50 2cri s PRO 19 Ca 0.03 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.14 2cri s PRO 19 Cb -0.12 -3.15 0.28 0.00 0.04 0.00 0.00 34.50 31.54 2cri s PRO 19 CO -0.07 -0.14 1.61 -1.00 0.04 0.00 0.00 177.00 177.44 2cri h PRO 20 N 4.43 0.44 0.00 0.56 0.13 -1.57 -3.37 132.00 132.63 2cri h PRO 20 Ca -0.46 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 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 0.71 0.80 0.00 0.43 -0.23 0.00 0.00 178.00 179.71 2cri n SER 21 N -4.00 0.00 -3.91 1.44 7.64 -1.26 -4.95 113.62 108.58 2cri n SER 21 Ca -0.02 0.45 -0.10 0.00 1.01 0.00 0.00 58.87 60.21 2cri n SER 21 Cb 0.52 -0.20 -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 1.51 -3.01 0.00 0.00 175.04 173.54 2cri s ASP 22 N -1.91 0.09 -0.66 6.43 -4.77 -1.26 -4.48 116.67 110.12 2cri s ASP 22 Ca 0.00 -0.30 -0.22 0.00 -3.30 0.00 0.00 52.55 48.73 2cri s ASP 22 Cb 0.00 0.17 0.08 0.00 -1.09 0.00 0.00 42.92 42.08 2cri s ASP 22 CO 0.00 -0.35 0.91 -0.22 0.70 0.00 0.00 175.17 176.21 2cri s LEU 23 N -1.43 4.65 0.39 2.11 2.96 -1.22 -4.58 118.68 121.56 2cri s LEU 23 Ca -0.15 -1.15 -0.21 0.00 -0.22 0.00 0.00 54.13 52.40 2cri s LEU 23 Cb -0.08 -2.39 -0.11 0.00 0.50 0.00 0.00 46.19 44.11 2cri s LEU 23 CO 0.01 -1.35 0.92 -0.54 -1.32 0.00 0.00 176.35 174.07 2cri s LYS 24 N 3.69 4.28 -0.13 1.98 3.01 -1.26 -1.52 119.74 129.78 2cri s LYS 24 Ca 0.20 1.11 0.03 0.00 -1.01 0.00 0.00 55.97 56.30 2cri s LYS 24 Cb -0.18 -2.35 0.01 0.00 -1.01 0.00 0.00 37.83 34.30 2cri s LYS 24 CO 0.08 0.06 -0.22 -0.06 0.51 0.00 0.00 175.35 175.73 2cri s PHE 25 N -2.03 2.59 -0.31 3.18 0.40 0.19 -4.91 117.98 117.09 2cri s PHE 25 Ca 0.58 -1.26 -0.24 0.00 -0.60 0.00 0.00 56.93 55.41 2cri s PHE 25 Cb -0.11 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2cri s PHE 25 CO 0.16 -0.57 0.84 0.21 0.70 0.00 0.00 175.22 176.55 2cri s LYS 26 N 0.74 3.96 0.00 0.44 2.47 -1.26 -1.25 119.74 124.84 2cri s LYS 26 Ca -0.09 0.64 0.00 0.00 -1.56 0.00 0.00 55.97 54.96 2cri s LYS 26 Cb -0.16 -3.74 0.00 0.00 -1.46 0.00 0.00 37.83 32.47 2cri s LYS 26 CO -0.00 -0.73 0.00 0.41 0.16 0.00 0.00 175.35 175.19 2cri n GLY 27 N 4.17 -2.12 3.14 5.54 0.00 -1.04 -4.78 105.19 110.10 2cri n GLY 27 Ca 0.05 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.39 -2.93 -0.26 1.61 -0.04 -1.26 -4.61 135.00 127.12 2cri n PRO 28 Ca 0.00 -1.57 0.08 0.00 -0.04 0.00 0.00 63.50 61.97 2cri n PRO 28 Cb 0.00 -1.47 0.22 0.00 -0.04 0.00 0.00 33.50 32.21 2cri n PRO 28 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2cri n PHE 29 N -4.62 0.68 0.25 0.54 3.72 -1.26 -4.45 117.46 112.32 2cri n PHE 29 Ca 0.14 -0.52 0.14 0.00 -0.05 0.00 0.00 57.45 57.16 2cri n PHE 29 Cb 0.53 -0.04 0.57 0.00 -0.94 0.00 0.00 39.48 39.60 2cri n PHE 29 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2cri h THR 30 N 2.76 0.22 -4.85 4.37 1.35 -1.96 -3.24 112.91 111.56 2cri h THR 30 Ca 0.00 -0.77 -0.50 0.00 -0.55 0.00 0.00 66.41 64.59 2cri h THR 30 Cb 0.87 1.63 -0.12 0.00 -1.73 0.00 0.00 68.15 68.79 2cri h THR 30 CO 0.02 0.09 -0.46 -0.67 -0.25 0.00 0.00 175.52 174.24 2cri n ASP 31 N -3.22 -0.14 -4.72 5.36 2.03 -1.26 -4.86 116.55 109.74 2cri n ASP 31 Ca 0.01 -3.17 -0.42 0.00 0.52 0.00 0.00 54.79 51.73 2cri n ASP 31 Cb 0.36 1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 42.21 2cri n ASP 31 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2cri s VAL 32 N -3.27 2.43 0.18 5.18 1.01 -1.26 -4.16 120.40 120.51 2cri s VAL 32 Ca 0.34 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.64 2cri s VAL 32 Cb 0.02 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2cri s VAL 32 CO 0.24 0.02 0.34 -0.69 0.00 0.00 0.00 175.10 175.01 2cri s VAL 33 N 1.19 5.27 -0.21 2.92 1.01 -0.56 -4.91 120.40 125.11 2cri s VAL 33 Ca 0.72 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2cri s VAL 33 Cb -0.46 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.21 2cri s VAL 33 CO 0.31 -0.17 -0.09 -0.89 0.00 0.00 0.00 175.10 174.27 2cri s THR 34 N -1.83 1.60 -0.17 3.92 2.01 -1.26 -1.54 115.64 118.36 2cri s THR 34 Ca 0.36 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2cri s THR 34 Cb -0.11 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.69 2cri s THR 34 CO 0.29 0.08 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.24 2cri s THR 35 N 1.40 1.83 -0.20 -0.82 2.01 -0.44 -4.87 115.64 114.56 2cri s THR 35 Ca -0.03 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 60.96 2cri s THR 35 Cb -0.17 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 2cri s THR 35 CO -0.07 0.48 0.52 0.20 -0.69 0.00 0.00 174.62 175.05 2cri s ASN 36 N 1.38 6.57 -0.44 3.53 -0.87 -1.26 -0.69 114.94 123.15 2cri s ASN 36 Ca 0.04 0.68 -0.13 0.00 -1.57 0.00 0.00 52.86 51.89 2cri s ASN 36 Cb -0.13 -2.29 0.07 0.00 -0.02 0.00 0.00 41.25 38.88 2cri s ASN 36 CO -0.12 -0.18 0.33 -0.22 -2.57 0.00 0.00 177.10 174.35 2cri s LEU 37 N 1.61 5.38 0.15 0.60 0.20 -0.10 -4.84 118.68 121.69 2cri s LEU 37 Ca 0.24 -1.37 -0.30 0.00 0.69 0.00 0.00 54.13 53.39 2cri s LEU 37 Cb -0.15 -2.10 -0.07 0.00 -0.43 0.00 0.00 46.19 43.44 2cri s LEU 37 CO 0.10 -0.59 0.96 -0.54 -0.29 0.00 0.00 176.35 175.99 2cri s LYS 38 N 1.55 4.74 -0.27 1.98 1.02 -0.64 -1.77 119.74 126.35 2cri s LYS 38 Ca 0.04 1.48 -0.01 0.00 0.02 0.00 0.00 55.97 57.50 2cri s LYS 38 Cb -0.23 -3.34 0.09 0.00 -0.52 0.00 0.00 37.83 33.82 2cri s LYS 38 CO 0.05 0.29 0.06 -0.51 -0.92 0.00 0.00 175.35 174.32 2cri s LEU 39 N -0.36 2.17 0.41 3.17 1.43 -0.08 -0.55 118.68 124.86 2cri s LEU 39 Ca 0.45 -1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.05 2cri s LEU 39 Cb -0.24 -0.88 -0.06 0.00 0.03 0.00 0.00 46.19 45.03 2cri s LEU 39 CO 0.31 -0.36 0.76 -1.58 0.23 0.00 0.00 176.35 175.70 2cri s GLN 40 N 1.61 3.72 -0.33 1.70 0.74 -0.69 -1.66 119.66 124.74 2cri s GLN 40 Ca 0.05 0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.85 2cri s GLN 40 Cb -0.18 -2.40 0.10 0.00 1.10 0.00 0.00 33.01 31.64 2cri s GLN 40 CO -0.18 -0.06 0.11 1.21 -0.55 0.00 0.00 175.29 175.82 2cri s ASN 41 N -3.36 4.11 0.45 6.67 3.84 -0.95 -1.83 114.94 123.87 2cri s ASN 41 Ca 0.50 -1.85 0.24 0.00 0.21 0.00 0.00 52.86 51.96 2cri s ASN 41 Cb -0.10 -1.01 1.02 0.00 -0.55 0.00 0.00 41.25 40.60 2cri s ASN 41 CO 0.34 -0.39 1.88 1.55 -2.79 0.00 0.00 177.10 177.69 2cri h PRO 42 N 7.84 0.00 -7.36 0.43 0.13 -1.90 -2.82 132.00 128.32 2cri h PRO 42 Ca -0.10 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.58 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 0.23 0.17 -1.54 -0.23 0.00 0.00 178.00 177.11 2cri s SER 43 N -6.24 2.30 -0.27 1.44 1.04 -1.26 -4.84 113.70 105.87 2cri s SER 43 Ca -0.01 1.12 0.12 0.00 0.48 0.00 0.00 55.95 57.66 2cri s SER 43 Cb 0.11 -1.75 0.58 0.00 0.10 0.00 0.00 66.02 65.07 2cri s SER 43 CO 0.63 -3.33 1.56 0.47 0.98 0.00 0.00 173.24 173.56 2cri n ASP 44 N -4.29 3.63 -3.98 7.02 9.92 -1.26 -3.13 116.55 124.46 2cri n ASP 44 Ca 0.06 -3.36 -0.08 0.00 -0.53 0.00 0.00 54.79 50.88 2cri n ASP 44 Cb 0.58 -0.64 -0.09 0.00 -0.64 0.00 0.00 41.12 40.32 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cri s ARG 45 N -3.04 0.63 0.33 -1.24 3.03 -1.26 -4.84 118.95 112.55 2cri s ARG 45 Ca 0.47 -0.96 -0.29 0.00 2.03 0.00 0.00 55.73 56.98 2cri s ARG 45 Cb 0.40 0.24 -0.10 0.00 -1.03 0.00 0.00 34.95 34.45 2cri s ARG 45 CO 0.07 -0.15 1.39 0.15 -1.13 0.00 0.00 175.30 175.63 2cri s LYS 46 N -3.28 4.26 -0.09 3.89 1.02 -1.26 -4.30 119.74 119.99 2cri s LYS 46 Ca 0.01 2.35 0.01 0.00 0.02 0.00 0.00 55.97 58.35 2cri s LYS 46 Cb 0.03 -3.04 0.02 0.00 -0.52 0.00 0.00 37.83 34.32 2cri s LYS 46 CO -0.08 -0.34 -0.08 0.08 -0.92 0.00 0.00 175.35 174.01 2cri s VAL 47 N -0.94 0.96 0.48 3.17 1.01 -1.23 -1.80 120.40 122.06 2cri s VAL 47 Ca 0.52 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 2cri s VAL 47 Cb -0.42 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 2cri s VAL 47 CO 0.55 0.34 0.98 0.00 0.00 0.00 0.00 175.10 176.96 2cri s PHE 49 N -2.40 -0.29 -0.08 0.00 -0.71 -1.13 -1.60 117.98 111.78 2cri s PHE 49 Ca 0.61 0.44 -0.01 0.00 -1.04 0.00 0.00 56.93 56.93 2cri s PHE 49 Cb -0.10 0.17 0.03 0.00 -1.21 0.00 0.00 43.02 41.91 2cri s PHE 49 CO 0.24 -0.46 -0.01 0.15 -1.34 0.00 0.00 175.22 173.80 2cri s LYS 50 N -1.42 0.77 -0.05 1.99 1.02 -0.89 -3.24 119.74 117.93 2cri s LYS 50 Ca -0.12 0.04 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 2cri s LYS 50 Cb -0.04 -1.09 -0.02 0.00 -0.52 0.00 0.00 37.83 36.16 2cri s LYS 50 CO 0.05 -0.30 0.94 0.08 -0.92 0.00 0.00 175.35 175.19 2cri s VAL 51 N 1.93 4.87 -0.17 3.17 1.01 -0.82 -2.42 120.40 127.96 2cri s VAL 51 Ca 0.05 1.94 -0.06 0.00 0.00 0.00 0.00 61.98 63.91 2cri s VAL 51 Cb -0.12 -4.26 0.08 0.00 0.00 0.00 0.00 36.38 32.07 2cri s VAL 51 CO -0.06 0.12 0.35 -0.54 0.00 0.00 0.00 175.10 174.97 2cri s LYS 52 N 1.34 0.25 0.31 2.72 1.02 -1.18 -4.91 119.74 119.29 2cri s LYS 52 Ca 0.48 0.90 0.11 0.00 0.02 0.00 0.00 55.97 57.48 2cri s LYS 52 Cb -0.19 0.15 -0.06 0.00 -0.52 0.00 0.00 37.83 37.21 2cri s LYS 52 CO 0.23 -0.28 -0.15 -0.08 -0.92 0.00 0.00 175.35 174.15 2cri s THR 53 N 2.53 2.41 0.12 2.17 -1.32 -1.26 -2.48 115.64 117.81 2cri s THR 53 Ca -0.00 -2.30 -0.28 0.00 -1.21 0.00 0.00 61.69 57.90 2cri s THR 53 Cb -0.12 -2.47 -0.06 0.00 -1.51 0.00 0.00 72.50 68.34 2cri s THR 53 CO -0.11 -0.31 1.61 0.71 -2.21 0.00 0.00 174.62 174.31 2cri h THR 54 N 2.14 0.27 -3.10 5.08 1.35 -1.83 -3.38 112.91 113.44 2cri h THR 54 Ca -0.41 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 64.88 2cri h THR 54 Cb 1.26 0.27 -0.05 0.00 -1.73 0.00 0.00 68.15 67.90 2cri h THR 54 CO 0.64 0.00 1.02 0.00 -0.25 0.00 0.00 175.52 176.94 2cri s ALA 55 N -5.99 3.27 -0.01 6.62 0.00 -1.26 -4.92 121.76 119.48 2cri s ALA 55 Ca -0.16 0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 2cri s ALA 55 Cb 0.09 -3.83 -0.19 0.00 0.00 0.00 0.00 23.12 19.19 2cri s ALA 55 CO 0.65 -1.94 1.28 -1.00 0.00 0.00 0.00 175.76 174.75 2cri h PRO 56 N 9.88 0.08 0.00 0.00 0.13 -1.84 -3.24 132.00 137.01 2cri h PRO 56 Ca -0.28 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.61 2cri h PRO 56 Cb 1.11 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2cri h PRO 56 CO 1.04 0.54 -1.43 0.54 -0.23 0.00 0.00 178.00 178.46 2cri n ARG 57 N -4.79 0.54 -0.36 0.86 5.12 -1.26 -4.26 116.66 112.51 2cri n ARG 57 Ca -0.08 0.40 0.36 0.00 -1.93 0.00 0.00 57.85 56.60 2cri n ARG 57 Cb 0.27 -1.60 0.57 0.00 -1.16 0.00 0.00 32.46 30.55 2cri n ARG 57 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2cri h ARG 58 N -1.00 0.00 -4.92 5.56 9.65 -1.97 -3.33 114.38 118.37 2cri h ARG 58 Ca -0.31 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 57.96 2cri h ARG 58 Cb 1.17 0.00 -0.34 0.00 -1.39 0.00 0.00 29.97 29.41 2cri h ARG 58 CO -0.19 0.00 -0.85 0.71 2.80 0.00 0.00 179.97 182.44 2cri s TYR 59 N -4.59 2.17 -0.25 2.20 1.51 -1.22 -2.14 117.35 115.02 2cri s TYR 59 Ca -0.03 -1.00 0.02 0.00 -1.01 0.00 0.00 57.07 55.05 2cri s TYR 59 Cb 0.18 -1.52 0.06 0.00 -0.11 0.00 0.00 41.96 40.57 2cri s TYR 59 CO 0.61 -0.48 -0.09 0.00 -1.11 0.00 0.00 175.55 174.48 2cri s VAL 61 N 1.18 4.69 -0.14 0.00 1.01 -1.26 -0.95 120.40 124.92 2cri s VAL 61 Ca -0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 2cri s VAL 61 Cb -0.20 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2cri s VAL 61 CO -0.05 0.44 0.30 -0.13 0.00 0.00 0.00 175.10 175.66 2cri s ARG 62 N 0.59 0.23 0.46 2.72 0.52 0.16 -2.79 118.95 120.84 2cri s ARG 62 Ca 0.03 0.74 -0.23 0.00 -0.52 0.00 0.00 55.73 55.75 2cri s ARG 62 Cb -0.13 0.00 -0.07 0.00 0.52 0.00 0.00 34.95 35.27 2cri s ARG 62 CO 0.01 -0.23 1.17 -1.25 0.02 0.00 0.00 175.30 175.02 2cri s PRO 63 N 1.99 3.77 0.00 3.54 0.04 -1.26 -0.81 135.00 142.26 2cri s PRO 63 Ca -0.04 1.78 0.30 0.00 0.04 0.00 0.00 61.00 63.08 2cri s PRO 63 Cb -0.11 -2.42 1.49 0.00 0.04 0.00 0.00 34.50 33.50 2cri s PRO 63 CO -0.10 -0.54 2.03 0.27 0.04 0.00 0.00 177.00 178.70 2cri n ASN 64 N -0.46 0.00 -3.58 6.66 6.94 -1.12 -4.79 115.26 118.90 2cri n ASN 64 Ca 0.07 -0.11 -0.07 0.00 -0.02 0.00 0.00 54.58 54.46 2cri n ASN 64 Cb 0.48 -0.30 -0.02 0.00 -2.36 0.00 0.00 39.78 37.59 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 -2.59 -0.29 0.00 0.53 1.04 -1.26 -1.95 113.70 109.18 2cri s SER 65 Ca 0.27 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2cri s SER 65 Cb 0.20 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2cri s SER 65 CO 0.46 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2cri n GLY 66 N -0.31 -2.70 3.45 7.32 0.00 -1.20 -5.06 105.19 106.68 2cri n GLY 66 Ca -0.08 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.11 2.85 -0.34 -0.61 1.01 -1.26 -2.81 121.20 117.92 2cri s ILE 67 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 2cri s ILE 67 Cb 0.00 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.37 2cri s ILE 67 CO 0.00 0.54 0.18 -0.63 0.00 0.00 0.00 174.94 175.03 2cri s ILE 68 N -0.75 4.56 0.61 2.92 1.01 -1.12 -4.98 121.20 123.44 2cri s ILE 68 Ca 0.12 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 2cri s ILE 68 Cb -0.10 -3.43 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 2cri s ILE 68 CO 0.01 -0.08 0.26 0.47 0.00 0.00 0.00 174.94 175.60 2cri n ASP 69 N 4.98 -2.12 -4.64 3.58 8.00 -1.26 -3.49 116.55 121.60 2cri n ASP 69 Ca -0.13 0.65 -0.43 0.00 0.71 0.00 0.00 54.79 55.60 2cri n ASP 69 Cb 0.48 -1.07 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 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 -1.91 3.96 0.00 -0.24 0.04 -1.26 -2.57 135.00 133.02 2cri s PRO 70 Ca 0.63 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2cri s PRO 70 Cb -0.42 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2cri s PRO 70 CO 0.60 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2cri n GLY 71 N 4.37 0.57 3.26 0.56 0.00 -1.06 -4.87 105.19 108.01 2cri n GLY 71 Ca 0.18 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2cri n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cri n SER 72 N 1.58 1.66 -4.03 1.61 7.64 -1.06 -4.95 113.62 116.07 2cri n SER 72 Ca 0.00 -3.09 -0.21 0.00 1.01 0.00 0.00 58.87 56.58 2cri n SER 72 Cb 0.12 0.85 -0.15 0.00 -1.01 0.00 0.00 64.21 64.02 2cri n SER 72 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2cri s ILE 73 N -2.96 0.87 -0.08 0.44 1.01 -1.26 -2.24 121.20 116.98 2cri s ILE 73 Ca 0.16 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.39 2cri s ILE 73 Cb 0.01 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 2cri s ILE 73 CO 0.11 0.26 -0.10 -0.69 0.00 0.00 0.00 174.94 174.53 2cri s VAL 74 N 0.08 3.41 -0.29 2.92 1.01 -0.67 -4.92 120.40 121.94 2cri s VAL 74 Ca -0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 2cri s VAL 74 Cb -0.08 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.92 2cri s VAL 74 CO 0.00 0.57 0.06 -0.89 0.00 0.00 0.00 175.10 174.85 2cri s THR 75 N -0.43 3.82 -0.11 3.92 2.01 -1.26 -0.91 115.64 122.67 2cri s THR 75 Ca 0.06 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.20 2cri s THR 75 Cb -0.12 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 2cri s THR 75 CO 0.02 0.08 0.21 -0.69 -0.69 0.00 0.00 174.62 173.55 2cri s VAL 76 N 1.47 5.38 -0.50 3.82 1.01 -0.73 -4.83 120.40 126.01 2cri s VAL 76 Ca 0.02 0.37 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 2cri s VAL 76 Cb -0.17 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.76 2cri s VAL 76 CO 0.02 0.56 0.67 -0.44 0.00 0.00 0.00 175.10 175.90 2cri s SER 77 N -0.66 6.25 -0.45 3.32 0.01 0.01 -0.92 113.70 121.26 2cri s SER 77 Ca 0.16 -0.77 -0.08 0.00 1.31 0.00 0.00 55.95 56.57 2cri s SER 77 Cb -0.13 -2.31 0.11 0.00 0.21 0.00 0.00 66.02 63.90 2cri s SER 77 CO 0.05 -0.93 0.30 -0.69 0.41 0.00 0.00 173.24 172.38 2cri s VAL 78 N 2.84 3.97 0.19 3.43 1.01 0.14 -0.67 120.40 131.30 2cri s VAL 78 Ca 0.18 -1.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.18 2cri s VAL 78 Cb -0.18 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 2cri s VAL 78 CO 0.14 -0.73 0.62 -0.04 0.00 0.00 0.00 175.10 175.10 2cri s MET 79 N 1.31 4.07 -0.24 2.72 -1.94 -0.12 -1.32 119.30 123.78 2cri s MET 79 Ca 0.06 0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 2cri s MET 79 Cb -0.25 -2.87 0.04 0.00 2.01 0.00 0.00 34.83 33.75 2cri s MET 79 CO -0.01 0.42 -0.10 -1.17 -0.01 0.00 0.00 175.02 174.15 2cri s LEU 80 N -2.05 3.11 0.44 -0.03 0.20 -0.59 -1.85 118.68 117.91 2cri s LEU 80 Ca 0.41 -1.02 -0.25 0.00 0.69 0.00 0.00 54.13 53.96 2cri s LEU 80 Cb -0.15 -1.60 -0.09 0.00 -0.43 0.00 0.00 46.19 43.92 2cri s LEU 80 CO 0.20 -0.13 1.36 0.00 -0.29 0.00 0.00 176.35 177.48 2cri n GLN 81 N 4.58 2.08 -2.12 1.98 3.00 -0.91 -1.50 117.38 124.49 2cri n GLN 81 Ca -0.16 0.74 -0.43 0.00 -0.01 0.00 0.00 57.00 57.14 2cri n GLN 81 Cb 0.46 -2.52 -0.03 0.00 0.00 0.00 0.00 30.24 28.16 2cri n GLN 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2cri s PRO 82 N -2.36 3.84 0.04 -1.09 0.04 -1.26 -4.88 135.00 129.32 2cri s PRO 82 Ca 0.62 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 63.30 2cri s PRO 82 Cb -0.47 -4.02 -0.01 0.00 0.04 0.00 0.00 34.50 30.03 2cri s PRO 82 CO 0.57 -1.24 0.09 -0.59 0.04 0.00 0.00 177.00 175.87 2cri s PHE 83 N 5.05 0.21 -0.71 0.56 -0.71 -1.22 -4.97 117.98 116.18 2cri s PHE 83 Ca 0.71 -0.51 -0.25 0.00 -1.04 0.00 0.00 56.93 55.83 2cri s PHE 83 Cb -0.25 -0.15 -0.13 0.00 -1.21 0.00 0.00 43.02 41.28 2cri s PHE 83 CO 0.29 -0.36 2.41 -0.25 -1.34 0.00 0.00 175.22 175.97 2cri n ASP 84 N 0.80 1.82 -4.53 1.98 8.00 -1.26 -4.82 116.55 118.53 2cri n ASP 84 Ca -0.19 -1.12 -0.36 0.00 0.71 0.00 0.00 54.79 53.82 2cri n ASP 84 Cb 0.58 -1.59 -0.07 0.00 -0.02 0.00 0.00 41.12 40.03 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 17.26 1.13 -3.92 1.24 9.36 -1.26 -4.87 117.16 136.10 2cri n TYR 85 Ca 0.45 0.19 -0.31 0.00 3.32 0.00 0.00 57.90 61.55 2cri n TYR 85 Cb 0.45 -2.52 -0.13 0.00 -0.63 0.00 0.00 39.34 36.50 2cri n TYR 85 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2cri s ASP 86 N 11.03 4.57 0.47 2.98 1.11 -1.26 -4.93 116.67 130.63 2cri s ASP 86 Ca 1.10 -2.81 0.31 0.00 0.18 0.00 0.00 52.55 51.32 2cri s ASP 86 Cb -0.50 -1.68 1.29 0.00 1.07 0.00 0.00 42.92 43.10 2cri s ASP 86 CO 0.33 -0.29 1.92 1.55 1.18 0.00 0.00 175.17 179.86 2cri h PRO 87 N 6.82 0.00 0.23 8.23 0.13 -1.94 -3.04 132.00 142.43 2cri h PRO 87 Ca -0.06 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.74 2cri h PRO 87 Cb 0.93 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.09 2cri h PRO 87 CO 0.67 0.00 -1.46 -2.95 -0.23 0.00 0.00 178.00 174.03 2cri h ASN 88 N 0.00 0.75 -2.16 1.44 7.08 -2.00 -3.43 115.58 117.27 2cri h ASN 88 Ca 0.00 -0.93 -0.47 0.00 -3.08 0.00 0.00 56.30 51.83 2cri h ASN 88 Cb 0.45 -0.24 -0.02 0.00 -2.08 0.00 0.00 38.32 36.43 2cri h ASN 88 CO 0.00 1.69 -0.44 -0.70 -2.08 0.00 0.00 177.43 175.90 2cri s GLU 89 N -2.57 3.32 -1.48 4.14 -6.30 -1.15 -4.53 118.70 110.13 2cri s GLU 89 Ca -0.11 -0.84 -0.01 0.00 -2.50 0.00 0.00 54.97 51.51 2cri s GLU 89 Cb 0.04 -2.83 0.00 0.00 0.00 0.00 0.00 34.13 31.34 2cri s GLU 89 CO 0.91 0.39 0.18 1.17 0.02 0.00 0.00 175.26 177.93 2cri n LYS 90 N -1.39 -1.84 -1.21 4.30 4.81 -1.26 -4.78 118.16 116.79 2cri n LYS 90 Ca -0.08 0.21 -0.22 0.00 -0.87 0.00 0.00 58.31 57.36 2cri n LYS 90 Cb 0.57 -3.93 -0.11 0.00 0.02 0.00 0.00 35.03 31.58 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 -2.91 6.32 -3.13 3.14 3.41 -1.26 -4.46 113.62 114.73 2cri n SER 91 Ca -0.32 -2.67 -0.21 0.00 -0.26 0.00 0.00 58.87 55.41 2cri n SER 91 Cb 0.69 -1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.19 2cri n SER 91 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cri n LYS 92 N 2.36 1.63 -4.01 4.33 4.01 -1.26 -5.05 118.16 120.16 2cri n LYS 92 Ca 0.52 -3.82 -0.33 0.00 -0.51 0.00 0.00 58.31 54.17 2cri n LYS 92 Cb 0.68 -1.83 -0.15 0.00 -0.51 0.00 0.00 35.03 33.22 2cri n LYS 92 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 2cri s HIS 93 N -2.62 3.22 0.40 2.13 2.46 -1.26 -4.95 115.29 114.67 2cri s HIS 93 Ca 0.42 -2.07 0.05 0.00 0.47 0.00 0.00 55.06 53.93 2cri s HIS 93 Cb 0.31 -2.00 -0.06 0.00 -0.13 0.00 0.00 32.58 30.70 2cri s HIS 93 CO -0.10 -0.84 0.03 0.15 -2.47 0.00 0.00 174.74 171.52 2cri s LYS 94 N 1.18 1.90 -0.11 2.88 1.02 -1.26 -4.60 119.74 120.75 2cri s LYS 94 Ca -0.06 -2.09 -0.05 0.00 0.02 0.00 0.00 55.97 53.79 2cri s LYS 94 Cb -0.19 -1.32 0.05 0.00 -0.52 0.00 0.00 37.83 35.85 2cri s LYS 94 CO -0.04 -0.16 0.24 0.12 -0.92 0.00 0.00 175.35 174.58 2cri s PHE 95 N -2.95 -0.33 0.08 3.18 2.19 -0.70 -2.19 117.98 117.27 2cri s PHE 95 Ca 0.31 0.79 0.05 0.00 0.33 0.00 0.00 56.93 58.40 2cri s PHE 95 Cb 0.08 -0.00 -0.03 0.00 -1.31 0.00 0.00 43.02 41.76 2cri s PHE 95 CO 0.15 -0.26 -0.12 -1.64 1.83 0.00 0.00 175.22 175.18 2cri s MET 96 N 1.57 0.84 0.04 10.12 -1.94 -1.04 -1.09 119.30 127.81 2cri s MET 96 Ca -0.06 -1.04 0.04 0.00 -1.71 0.00 0.00 55.69 52.91 2cri s MET 96 Cb -0.11 -0.72 -0.02 0.00 2.01 0.00 0.00 34.83 35.99 2cri s MET 96 CO -0.08 0.14 -0.11 0.08 -0.01 0.00 0.00 175.02 175.04 2cri s VAL 97 N -1.75 0.83 0.04 -6.03 1.01 -1.00 -3.07 120.40 110.42 2cri s VAL 97 Ca 0.01 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.99 2cri s VAL 97 Cb -0.07 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2cri s VAL 97 CO 0.02 -0.19 -0.05 -1.58 0.00 0.00 0.00 175.10 173.30 2cri s GLN 98 N -1.37 2.52 -0.07 2.72 0.74 -1.02 -0.24 119.66 122.94 2cri s GLN 98 Ca -0.04 -0.78 -0.07 0.00 0.05 0.00 0.00 55.36 54.52 2cri s GLN 98 Cb -0.09 -2.51 0.02 0.00 1.10 0.00 0.00 33.01 31.53 2cri s GLN 98 CO 0.01 0.58 0.21 0.95 -0.55 0.00 0.00 175.29 176.48 2cri s THR 99 N -1.12 0.01 -0.24 -0.34 -4.23 -0.28 -2.09 115.64 107.35 2cri s THR 99 Ca 0.20 -0.07 -0.24 0.00 -1.18 0.00 0.00 61.69 60.40 2cri s THR 99 Cb -0.11 -0.32 0.07 0.00 1.34 0.00 0.00 72.50 73.48 2cri s THR 99 CO 0.11 -0.04 0.69 -0.51 -0.54 0.00 0.00 174.62 174.33 2cri s ILE 100 N -0.04 0.00 0.31 2.99 2.07 -0.63 -1.92 121.20 123.98 2cri s ILE 100 Ca -0.01 -0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.93 2cri s ILE 100 Cb -0.02 -0.96 -0.12 0.00 0.13 0.00 0.00 42.46 41.50 2cri s ILE 100 CO 0.00 -0.00 1.58 0.49 -1.91 0.00 0.00 174.94 175.10 2cri n PHE 101 N 2.58 2.86 -3.68 3.50 3.01 -1.26 -0.64 117.46 123.84 2cri n PHE 101 Ca -0.14 0.29 -0.37 0.00 1.01 0.00 0.00 57.45 58.23 2cri n PHE 101 Cb 0.55 -2.59 -0.06 0.00 -0.01 0.00 0.00 39.48 37.37 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 -0.17 3.74 1.00 4.37 0.00 -0.74 -4.76 121.76 125.20 2cri s ALA 102 Ca 0.62 -0.49 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 2cri s ALA 102 Cb -0.50 -2.20 0.19 0.00 0.00 0.00 0.00 23.12 20.61 2cri s ALA 102 CO 0.51 0.40 1.09 -1.25 0.00 0.00 0.00 175.76 176.52 2cri s PRO 103 N -0.52 0.38 0.00 0.00 0.04 -1.26 -4.69 135.00 128.94 2cri s PRO 103 Ca 0.17 0.51 0.14 0.00 0.04 0.00 0.00 61.00 61.86 2cri s PRO 103 Cb -0.13 -1.73 0.62 0.00 0.04 0.00 0.00 34.50 33.30 2cri s PRO 103 CO 0.06 -2.76 1.45 -0.35 0.04 0.00 0.00 177.00 175.43 2cri n PRO 104 N -4.20 0.03 -0.01 0.56 -0.04 -1.26 -4.00 135.00 126.08 2cri n PRO 104 Ca 0.05 0.24 -0.01 0.00 -0.04 0.00 0.00 63.50 63.74 2cri n PRO 104 Cb 0.57 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2cri n PRO 104 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cri n ASN 105 N -1.47 0.39 -4.15 3.54 3.02 -1.26 -4.98 115.26 110.35 2cri n ASN 105 Ca 0.04 0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.32 2cri n ASN 105 Cb 0.16 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 38.92 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 -2.88 -0.39 -0.16 2.41 3.06 -1.26 -4.74 119.36 115.39 2cri n ILE 106 Ca -0.02 -0.20 0.14 0.00 -2.50 0.00 0.00 62.75 60.18 2cri n ILE 106 Cb 0.07 -0.64 0.48 0.00 0.54 0.00 0.00 39.64 40.09 2cri n ILE 106 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2cri h SER 107 N -1.07 0.43 -3.87 9.51 0.02 -1.94 -3.30 113.55 113.32 2cri h SER 107 Ca -0.55 0.02 -0.63 0.00 -0.84 0.00 0.00 61.79 59.79 2cri h SER 107 Cb 1.23 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 63.30 2cri h SER 107 CO 0.72 0.23 -0.69 -0.62 -1.14 0.00 0.00 176.83 175.33 2cri s ASP 108 N -5.99 4.21 0.32 3.07 -1.08 -1.26 -4.98 116.67 110.96 2cri s ASP 108 Ca -0.08 -2.59 0.09 0.00 -0.52 0.00 0.00 52.55 49.45 2cri s ASP 108 Cb 0.21 -1.40 0.93 0.00 -1.46 0.00 0.00 42.92 41.20 2cri s ASP 108 CO 0.77 -0.29 1.64 0.24 0.52 0.00 0.00 175.17 178.04 2cri h MET 109 N 6.96 0.20 0.50 4.34 2.86 -1.97 0.65 114.93 128.47 2cri h MET 109 Ca -0.06 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2cri h MET 109 Cb 0.94 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.56 2cri h MET 109 CO 0.58 0.13 -0.24 0.93 1.06 0.00 0.00 176.91 179.36 2cri h GLU 110 N 0.20 -0.65 -0.61 1.72 4.39 -1.93 -2.91 114.58 114.79 2cri h GLU 110 Ca 0.66 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.53 2cri h GLU 110 Cb 1.47 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 30.16 2cri h GLU 110 CO -0.68 -0.42 -0.08 0.00 -1.16 0.00 0.00 179.01 176.66 2cri h ALA 111 N -0.19 0.50 -0.40 3.43 0.00 -1.32 -1.40 119.26 119.87 2cri h ALA 111 Ca -0.07 0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2cri h ALA 111 Cb 0.53 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 2cri h ALA 111 CO 0.11 -0.42 -0.32 0.28 0.00 0.00 0.00 179.25 178.90 2cri h VAL 112 N 0.05 0.23 -0.86 0.00 2.07 -1.21 0.11 116.25 116.64 2cri h VAL 112 Ca 0.31 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.95 2cri h VAL 112 Cb 0.49 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 2cri h VAL 112 CO -0.59 0.00 0.48 -0.50 0.02 0.00 0.00 177.57 176.99 2cri h TRP 113 N -0.25 0.87 0.27 1.57 4.06 -1.09 0.43 115.95 121.81 2cri h TRP 113 Ca 0.17 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.14 2cri h TRP 113 Cb 0.54 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 2cri h TRP 113 CO -0.54 0.30 -0.13 0.87 -3.56 0.00 0.00 178.44 175.39 2cri h LYS 114 N 0.76 -0.35 -0.22 0.49 6.56 -0.43 -2.90 116.57 120.48 2cri h LYS 114 Ca 0.44 0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 60.01 2cri h LYS 114 Cb 0.49 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.22 2cri h LYS 114 CO -0.29 -0.13 -0.03 0.93 -2.06 0.00 0.00 179.45 177.86 2cri h GLU 115 N -0.50 0.33 -6.49 3.15 5.08 -0.32 -3.43 114.58 112.40 2cri h GLU 115 Ca -0.04 -0.06 -0.57 0.00 -1.00 0.00 0.00 59.36 57.69 2cri h GLU 115 Cb 0.38 -0.05 0.05 0.00 0.50 0.00 0.00 28.75 29.62 2cri h GLU 115 CO 0.06 0.39 0.93 0.00 -1.00 0.00 0.00 179.01 179.39 2cri n ALA 116 N -2.49 1.62 -2.31 3.43 0.00 0.15 -4.97 120.51 115.93 2cri n ALA 116 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 2cri n ALA 116 Cb 0.22 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 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 1.78 3.72 0.00 0.00 -0.14 -1.26 -4.95 119.74 118.88 2cri s LYS 117 Ca 0.81 0.29 0.15 0.00 -1.36 0.00 0.00 55.97 55.86 2cri s LYS 117 Cb -0.62 -2.48 0.76 0.00 -1.68 0.00 0.00 37.83 33.80 2cri s LYS 117 CO 0.39 0.05 1.40 -0.35 -0.76 0.00 0.00 175.35 176.08 2cri n PRO 118 N -1.20 0.23 0.07 -1.68 -0.04 -1.26 -1.43 135.00 129.68 2cri n PRO 118 Ca 0.01 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 2cri n PRO 118 Cb 0.54 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.27 0.68 -0.01 3.54 8.00 -1.26 -4.20 116.55 122.03 2cri n ASP 119 Ca 0.07 0.13 0.04 0.00 0.71 0.00 0.00 54.79 55.74 2cri n ASP 119 Cb 0.11 0.65 -0.07 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.37 0.55 -2.28 -1.24 -0.58 -0.86 -4.96 120.64 108.89 2cri n GLU 120 Ca 0.01 -0.08 -0.43 0.00 -0.42 0.00 0.00 57.16 56.24 2cri n GLU 120 Cb 0.51 -1.22 -0.02 0.00 -0.57 0.00 0.00 31.44 30.13 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 -3.77 4.03 0.44 -4.62 1.43 -0.52 -4.93 118.68 110.75 2cri s LEU 121 Ca -0.04 1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 54.64 2cri s LEU 121 Cb 0.06 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 2cri s LEU 121 CO 0.39 -1.01 0.69 -0.04 0.23 0.00 0.00 176.35 176.61 2cri s MET 122 N 4.09 3.37 0.27 1.70 -1.94 -0.81 -4.92 119.30 121.05 2cri s MET 122 Ca 0.62 -0.14 -0.01 0.00 -1.71 0.00 0.00 55.69 54.46 2cri s MET 122 Cb -0.23 -2.50 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 2cri s MET 122 CO 0.23 -0.15 0.29 0.16 -0.01 0.00 0.00 175.02 175.54 2cri s ASP 123 N -4.12 0.68 -0.05 3.03 -4.77 -1.26 -1.13 116.67 109.05 2cri s ASP 123 Ca 0.46 -1.45 -0.02 0.00 -3.30 0.00 0.00 52.55 48.24 2cri s ASP 123 Cb -0.10 0.51 0.03 0.00 -1.09 0.00 0.00 42.92 42.28 2cri s ASP 123 CO 0.41 -1.03 0.08 -0.44 0.70 0.00 0.00 175.17 174.89 2cri s SER 124 N -3.21 0.89 -0.35 2.11 0.01 0.67 -4.85 113.70 108.97 2cri s SER 124 Ca 0.36 0.14 -0.26 0.00 1.31 0.00 0.00 55.95 57.49 2cri s SER 124 Cb 0.03 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.25 2cri s SER 124 CO 0.17 -0.23 0.95 -0.75 0.41 0.00 0.00 173.24 173.80 2cri s LYS 125 N 2.05 3.92 0.09 12.44 2.20 -1.26 -2.39 119.74 136.79 2cri s LYS 125 Ca 0.03 0.72 0.03 0.00 -0.36 0.00 0.00 55.97 56.39 2cri s LYS 125 Cb -0.12 -3.78 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 2cri s LYS 125 CO -0.04 -0.91 -0.09 -1.17 -0.36 0.00 0.00 175.35 172.79 2cri s LEU 126 N 3.47 2.40 -0.17 5.43 0.20 -0.25 -5.04 118.68 124.72 2cri s LEU 126 Ca 0.40 -0.80 0.00 0.00 0.69 0.00 0.00 54.13 54.42 2cri s LEU 126 Cb -0.12 -0.25 0.04 0.00 -0.43 0.00 0.00 46.19 45.43 2cri s LEU 126 CO 0.17 -0.28 -0.09 -0.60 -0.29 0.00 0.00 176.35 175.26 2cri s ARG 127 N -2.75 1.76 -0.09 1.98 3.52 -1.26 -1.72 118.95 120.39 2cri s ARG 127 Ca 0.04 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 54.76 2cri s ARG 127 Cb -0.03 -2.08 -0.02 0.00 -1.56 0.00 0.00 34.95 31.26 2cri s ARG 127 CO -0.01 -0.38 1.14 0.00 -0.81 0.00 0.00 175.30 175.25 2cri s VAL 129 N 2.37 4.57 -0.47 0.00 1.01 -0.58 -4.96 120.40 122.34 2cri s VAL 129 Ca 0.53 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 2cri s VAL 129 Cb -0.22 -2.96 0.07 0.00 0.00 0.00 0.00 36.38 33.27 2cri s VAL 129 CO 0.19 0.58 0.41 -0.36 0.00 0.00 0.00 175.10 175.91 2cri s PHE 130 N -0.62 3.23 0.33 5.22 0.40 -1.26 -0.64 117.98 124.64 2cri s PHE 130 Ca 0.11 -0.88 0.04 0.00 -0.60 0.00 0.00 56.93 55.59 2cri s PHE 130 Cb -0.12 -3.17 -0.02 0.00 0.51 0.00 0.00 43.02 40.22 2cri s PHE 130 CO 0.02 -0.80 0.49 -1.21 0.70 0.00 0.00 175.22 174.42 2cri s GLU 131 N 1.71 3.29 0.13 0.44 2.02 -0.38 -4.94 118.70 120.97 2cri s GLU 131 Ca 0.05 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.43 2cri s GLU 131 Cb -0.24 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 2cri s GLU 131 CO 0.07 0.14 -0.12 -1.64 0.02 0.00 0.00 175.26 173.73 2cri s MET 132 N -4.21 2.02 -0.13 1.61 -1.94 -1.26 -2.48 119.30 112.90 2cri s MET 132 Ca 0.41 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 52.96 2cri s MET 132 Cb -0.09 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 2cri s MET 132 CO 0.33 0.48 1.55 -1.25 -0.01 0.00 0.00 175.02 176.12 2cri s PRO 133 N -2.37 4.08 -0.70 2.03 0.04 -1.26 -3.23 135.00 133.58 2cri s PRO 133 Ca 0.22 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 2cri s PRO 133 Cb -0.10 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.49 2cri s PRO 133 CO 0.13 -0.95 0.59 0.09 0.04 0.00 0.00 177.00 176.91 2cri n ASN 134 N 7.40 -2.28 -0.07 6.66 4.13 -1.26 -4.98 115.26 124.86 2cri n ASN 134 Ca 0.17 -0.37 -0.14 0.00 1.68 0.00 0.00 54.58 55.91 2cri n ASN 134 Cb 0.44 -3.25 -0.05 0.00 -1.54 0.00 0.00 39.78 35.38 2cri n ASN 134 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2cri n GLU 135 N -2.83 0.31 -4.09 3.52 4.07 -1.20 -5.01 120.64 115.42 2cri n GLU 135 Ca -0.16 0.12 -0.35 0.00 -0.06 0.00 0.00 57.16 56.71 2cri n GLU 135 Cb 0.60 -1.05 -0.09 0.00 -0.06 0.00 0.00 31.44 30.84 2cri n GLU 135 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2cri s ASN 136 N -6.10 5.73 1.03 4.31 4.22 -1.26 -5.09 114.94 117.78 2cri s ASN 136 Ca -0.19 0.22 -0.17 0.00 -2.14 0.00 0.00 52.86 50.58 2cri s ASN 136 Cb 0.07 -1.83 0.03 0.00 1.28 0.00 0.00 41.25 40.80 2cri s ASN 136 CO 0.26 0.31 -0.00 -0.67 -2.04 0.00 0.00 177.10 174.96 2cri n ASP 137 N 2.61 -2.63 -4.75 3.54 -0.08 -1.26 -4.88 116.55 109.09 2cri n ASP 137 Ca -0.18 0.11 -0.38 0.00 -1.51 0.00 0.00 54.79 52.83 2cri n ASP 137 Cb 0.53 -1.02 0.03 0.00 2.34 0.00 0.00 41.12 43.01 2cri n ASP 137 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2cri s LYS 138 N -3.30 3.29 -1.08 -0.67 -0.14 -1.26 -4.94 119.74 111.64 2cri s LYS 138 Ca 0.53 2.12 -0.04 0.00 -1.36 0.00 0.00 55.97 57.22 2cri s LYS 138 Cb -0.15 -2.29 0.31 0.00 -1.68 0.00 0.00 37.83 34.02 2cri s LYS 138 CO 0.68 -1.03 1.46 -0.11 -0.76 0.00 0.00 175.35 175.59 2cri n LEU 139 N -0.90 6.37 -4.30 3.17 7.94 -1.26 -4.97 117.00 123.05 2cri n LEU 139 Ca 0.10 -5.20 -0.44 0.00 -1.11 0.00 0.00 56.01 49.35 2cri n LEU 139 Cb 0.46 -1.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.06 2cri n LEU 139 CO 0.51 1.67 0.08 0.21 -1.11 0.00 0.00 177.39 178.76 2cri s ASN 140 N -1.55 6.06 0.77 1.96 3.84 -1.26 -5.07 114.94 119.69 2cri s ASN 140 Ca 0.31 -1.74 -0.12 0.00 0.21 0.00 0.00 52.86 51.53 2cri s ASN 140 Cb 0.04 -2.16 0.06 0.00 -0.55 0.00 0.00 41.25 38.64 2cri s ASN 140 CO 0.09 -0.78 1.12 1.51 -2.79 0.00 0.00 177.10 176.25 2cri s ASP 141 N 3.21 4.79 -0.30 -4.21 -4.77 -1.26 -5.09 116.67 109.04 2cri s ASP 141 Ca 0.04 1.10 -0.07 0.00 -3.30 0.00 0.00 52.55 50.31 2cri s ASP 141 Cb -0.28 -1.80 0.15 0.00 -1.09 0.00 0.00 42.92 39.91 2cri s ASP 141 CO 0.03 -1.75 0.65 -0.94 0.70 0.00 0.00 175.17 173.85 2cri s SER 142 N -4.24 -1.21 0.14 2.11 1.04 -1.26 -5.17 113.70 105.12 2cri s SER 142 Ca 0.60 1.29 0.04 0.00 0.48 0.00 0.00 55.95 58.36 2cri s SER 142 Cb -0.12 2.23 -0.04 0.00 0.10 0.00 0.00 66.02 68.18 2cri s SER 142 CO 0.52 -0.23 -0.09 -0.83 0.98 0.00 0.00 173.24 173.60 2cri s GLY 143 N 2.87 1.05 0.68 7.32 0.00 -1.26 -5.16 107.32 112.82 2cri s GLY 143 Ca 0.04 -1.49 -0.11 0.00 0.00 0.00 0.00 44.72 43.16 2cri s GLY 143 CO -0.20 -1.57 0.60 -1.55 0.00 0.00 0.00 173.10 170.38 2cri n PRO 144 N -0.19 -2.20 -3.97 2.90 -0.04 -1.26 -5.10 135.00 125.15 2cri n PRO 144 Ca -0.10 -0.96 -0.08 0.00 -0.04 0.00 0.00 63.50 62.32 2cri n PRO 144 Cb 0.61 -0.90 -0.09 0.00 -0.04 0.00 0.00 33.50 33.08 2cri n PRO 144 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cri s SER 145 N -3.12 0.29 -0.15 3.54 0.15 -1.26 -5.15 113.70 107.99 2cri s SER 145 Ca 0.39 -0.78 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 2cri s SER 145 Cb -0.04 0.26 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 2cri s SER 145 CO 0.30 -0.64 -0.03 -0.55 1.20 0.00 0.00 173.24 173.52 2cri s SER 146 N -2.77 2.53 0.00 5.45 0.15 -1.26 -5.38 113.70 112.42 2cri s SER 146 Ca 0.04 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2cri s SER 146 Cb 0.05 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2cri s SER 146 CO -0.10 -0.20 0.41 0.61 1.20 0.00 0.00 173.24 175.17