#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cri n SER 2 N 0.00 -3.71 -4.10 1.61 3.41 -1.26 -4.99 113.62 104.58 2cri n SER 2 Ca 0.00 0.20 -0.29 0.00 -0.26 0.00 0.00 58.87 58.52 2cri n SER 2 Cb 0.00 -0.95 -0.17 0.00 -0.26 0.00 0.00 64.21 62.83 2cri n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cri s SER 3 N -1.52 2.46 0.16 4.04 1.04 -1.26 -5.14 113.70 113.47 2cri s SER 3 Ca 0.49 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2cri s SER 3 Cb -0.16 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 64.84 2cri s SER 3 CO 0.73 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.63 2cri n GLY 4 N 3.87 0.69 3.31 7.32 0.00 -1.26 -5.14 105.19 113.99 2cri n GLY 4 Ca -0.20 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 2cri n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cri s SER 5 N -1.00 0.05 0.31 1.61 1.04 -1.26 -5.18 113.70 109.26 2cri s SER 5 Ca 0.00 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.63 2cri s SER 5 Cb 0.00 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2cri s SER 5 CO 0.00 -0.86 0.32 -0.44 0.98 0.00 0.00 173.24 173.23 2cri s SER 6 N -2.95 1.12 -0.29 7.02 0.01 -1.26 -5.17 113.70 112.19 2cri s SER 6 Ca 0.15 -1.58 -0.16 0.00 1.31 0.00 0.00 55.95 55.66 2cri s SER 6 Cb 0.04 0.56 0.13 0.00 0.21 0.00 0.00 66.02 66.95 2cri s SER 6 CO -0.02 -1.10 0.90 -0.83 0.41 0.00 0.00 173.24 172.60 2cri s GLY 7 N -3.28 -0.17 0.57 3.44 0.00 -1.26 -5.15 107.32 101.47 2cri s GLY 7 Ca 0.37 2.95 -0.19 0.00 0.00 0.00 0.00 44.72 47.85 2cri s GLY 7 CO 0.22 2.54 1.00 -0.13 0.00 0.00 0.00 173.10 176.73 2cri n MET 8 N 3.85 1.03 -3.70 2.90 0.00 -1.26 -4.97 117.12 114.97 2cri n MET 8 Ca -0.19 0.39 -0.38 0.00 -0.00 0.00 0.00 57.70 57.52 2cri n MET 8 Cb 0.58 -2.19 -0.12 0.00 0.00 0.00 0.00 33.22 31.49 2cri n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cri s ALA 9 N -1.47 3.21 -0.10 -5.12 0.00 -1.26 -5.06 121.76 111.96 2cri s ALA 9 Ca 0.74 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 2cri s ALA 9 Cb -0.43 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2cri s ALA 9 CO 0.49 -0.80 1.48 0.15 0.00 0.00 0.00 175.76 177.08 2cri s LYS 10 N 1.60 4.20 -0.09 0.00 1.02 -1.26 -4.95 119.74 120.25 2cri s LYS 10 Ca 0.05 1.96 -0.32 0.00 0.02 0.00 0.00 55.97 57.67 2cri s LYS 10 Cb -0.17 -3.89 0.13 0.00 -0.52 0.00 0.00 37.83 33.38 2cri s LYS 10 CO 0.05 -0.78 1.21 -3.38 -0.92 0.00 0.00 175.35 171.52 2cri s HIS 11 N 3.79 -0.11 -0.27 3.18 -3.43 -1.26 -4.89 115.29 112.30 2cri s HIS 11 Ca 0.65 0.02 -0.01 0.00 -0.80 0.00 0.00 55.06 54.92 2cri s HIS 11 Cb -0.28 0.54 0.16 0.00 -1.43 0.00 0.00 32.58 31.56 2cri s HIS 11 CO 0.23 -0.28 0.48 -2.00 -2.00 0.00 0.00 174.74 171.16 2cri s GLU 12 N -2.51 0.45 0.29 -0.38 2.12 -1.26 -5.08 118.70 112.33 2cri s GLU 12 Ca 0.11 0.71 0.08 0.00 0.36 0.00 0.00 54.97 56.23 2cri s GLU 12 Cb 0.01 -0.02 -0.06 0.00 0.26 0.00 0.00 34.13 34.33 2cri s GLU 12 CO -0.04 -0.67 -0.08 1.14 -0.54 0.00 0.00 175.26 175.07 2cri s GLN 13 N 2.69 1.59 -0.03 4.30 0.00 -1.26 -4.41 119.66 122.54 2cri s GLN 13 Ca 0.16 -1.80 0.08 0.00 -0.00 0.00 0.00 55.36 53.80 2cri s GLN 13 Cb -0.15 -1.30 -0.24 0.00 0.00 0.00 0.00 33.01 31.33 2cri s GLN 13 CO -0.19 0.09 0.71 0.97 0.00 0.00 0.00 175.29 176.87 2cri h ILE 14 N 2.25 0.94 -3.13 3.63 -0.00 -1.92 -3.46 117.51 115.82 2cri h ILE 14 Ca -0.40 -2.74 -0.59 0.00 -0.00 0.00 0.00 64.86 61.12 2cri h ILE 14 Cb 1.24 2.51 -0.05 0.00 -0.00 0.00 0.00 36.82 40.52 2cri h ILE 14 CO 0.67 0.63 -0.12 -0.76 -0.00 0.00 0.00 178.15 178.56 2cri s LEU 15 N -6.37 4.49 -0.68 2.19 1.43 -1.26 -4.42 118.68 114.06 2cri s LEU 15 Ca -0.07 1.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.89 2cri s LEU 15 Cb 0.08 -2.76 0.06 0.00 0.03 0.00 0.00 46.19 43.60 2cri s LEU 15 CO 0.82 0.29 1.04 -0.69 0.23 0.00 0.00 176.35 178.04 2cri s VAL 16 N -1.12 4.18 0.22 -1.59 1.01 0.06 -4.92 120.40 118.24 2cri s VAL 16 Ca 0.27 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2cri s VAL 16 Cb -0.18 -4.74 -0.10 0.00 0.00 0.00 0.00 36.38 31.36 2cri s VAL 16 CO 0.16 -1.56 1.41 -0.76 0.00 0.00 0.00 175.10 174.36 2cri s LEU 17 N 4.46 4.39 -0.10 3.92 2.01 -1.26 -2.30 118.68 129.80 2cri s LEU 17 Ca 0.25 2.57 -0.01 0.00 0.01 0.00 0.00 54.13 56.94 2cri s LEU 17 Cb -0.15 -3.61 0.03 0.00 0.01 0.00 0.00 46.19 42.47 2cri s LEU 17 CO 0.11 -0.66 -0.00 -0.62 1.01 0.00 0.00 176.35 176.19 2cri s ASP 18 N 0.48 1.95 0.24 2.29 2.15 -0.10 0.69 116.67 124.38 2cri s ASP 18 Ca 0.60 -0.27 -0.30 0.00 0.43 0.00 0.00 52.55 53.01 2cri s ASP 18 Cb -0.40 -0.54 -0.09 0.00 -0.30 0.00 0.00 42.92 41.59 2cri s ASP 18 CO 0.40 -0.21 1.27 -2.16 -0.17 0.00 0.00 175.17 174.31 2cri s PRO 19 N 1.91 4.42 0.51 4.34 0.04 -1.26 -1.93 135.00 143.03 2cri s PRO 19 Ca 0.04 2.05 0.30 0.00 0.04 0.00 0.00 61.00 63.43 2cri s PRO 19 Cb -0.13 -3.16 1.25 0.00 0.04 0.00 0.00 34.50 32.49 2cri s PRO 19 CO -0.06 -0.16 1.95 -1.00 0.04 0.00 0.00 177.00 177.77 2cri h PRO 20 N 4.62 0.00 0.00 0.56 0.13 -0.09 -3.37 132.00 133.85 2cri h PRO 20 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2cri h PRO 20 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cri h PRO 20 CO 0.73 0.10 0.00 0.45 -0.23 0.00 0.00 178.00 179.04 2cri n SER 21 N -3.26 0.00 -3.89 1.44 2.88 -1.26 -4.90 113.62 104.62 2cri n SER 21 Ca 0.00 0.13 -0.11 0.00 -1.33 0.00 0.00 58.87 57.56 2cri n SER 21 Cb 0.34 -0.25 -0.12 0.00 -0.75 0.00 0.00 64.21 63.43 2cri n SER 21 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2cri s ASP 22 N -2.23 0.04 -0.49 -3.46 -4.77 -1.26 -3.87 116.67 100.64 2cri s ASP 22 Ca 0.00 -0.12 -0.19 0.00 -3.30 0.00 0.00 52.55 48.95 2cri s ASP 22 Cb 0.00 0.13 0.05 0.00 -1.09 0.00 0.00 42.92 42.02 2cri s ASP 22 CO 0.00 -0.17 0.58 -0.22 0.70 0.00 0.00 175.17 176.07 2cri s LEU 23 N -0.66 5.01 0.20 2.11 2.96 -1.08 -4.57 118.68 122.65 2cri s LEU 23 Ca -0.07 -0.91 -0.27 0.00 -0.22 0.00 0.00 54.13 52.65 2cri s LEU 23 Cb -0.05 -2.42 -0.08 0.00 0.50 0.00 0.00 46.19 44.13 2cri s LEU 23 CO 0.00 -0.83 0.85 -0.54 -1.32 0.00 0.00 176.35 174.51 2cri s LYS 24 N 2.48 4.69 -0.16 1.98 1.02 -1.26 -2.49 119.74 126.00 2cri s LYS 24 Ca 0.14 1.30 -0.02 0.00 0.02 0.00 0.00 55.97 57.41 2cri s LYS 24 Cb -0.19 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2cri s LYS 24 CO 0.12 0.54 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.94 2cri s PHE 25 N -1.18 2.89 -0.37 3.18 0.40 -0.90 -4.97 117.98 117.03 2cri s PHE 25 Ca 0.38 -0.70 -0.25 0.00 -0.60 0.00 0.00 56.93 55.77 2cri s PHE 25 Cb -0.24 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.35 2cri s PHE 25 CO 0.29 -0.30 0.87 0.21 0.70 0.00 0.00 175.22 176.99 2cri s LYS 26 N 0.72 3.80 0.00 0.44 2.36 -1.26 -2.01 119.74 123.80 2cri s LYS 26 Ca -0.04 0.47 0.00 0.00 -2.55 0.00 0.00 55.97 53.85 2cri s LYS 26 Cb -0.15 -3.81 0.00 0.00 -1.05 0.00 0.00 37.83 32.82 2cri s LYS 26 CO 0.02 -0.91 0.00 0.41 1.55 0.00 0.00 175.35 176.41 2cri n GLY 27 N 4.44 -2.47 3.62 5.54 0.00 -0.93 -4.79 105.19 110.62 2cri n GLY 27 Ca 0.06 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.56 -0.66 0.00 1.61 0.04 -1.26 -4.55 135.00 129.61 2cri s PRO 28 Ca 0.00 0.14 0.20 0.00 0.04 0.00 0.00 61.00 61.38 2cri s PRO 28 Cb 0.00 -1.64 0.31 0.00 0.04 0.00 0.00 34.50 33.21 2cri s PRO 28 CO 0.00 -3.38 1.27 1.19 0.04 0.00 0.00 177.00 176.12 2cri n PHE 29 N -4.56 0.32 0.28 0.56 3.72 -1.26 -4.31 117.46 112.20 2cri n PHE 29 Ca 0.10 -0.18 0.17 0.00 -0.05 0.00 0.00 57.45 57.49 2cri n PHE 29 Cb 0.59 -0.00 0.66 0.00 -0.94 0.00 0.00 39.48 39.78 2cri n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cri h THR 30 N 3.97 0.00 -3.29 4.37 1.03 -1.95 -3.06 112.91 113.97 2cri h THR 30 Ca 0.00 -0.53 -0.52 0.00 -0.01 0.00 0.00 66.41 65.34 2cri h THR 30 Cb 0.89 1.53 -0.13 0.00 -1.07 0.00 0.00 68.15 69.37 2cri h THR 30 CO 0.00 0.00 -0.51 -0.62 -0.01 0.00 0.00 175.52 174.38 2cri s ASP 31 N -5.70 2.40 0.19 0.00 2.15 -1.26 -4.83 116.67 109.61 2cri s ASP 31 Ca 0.02 -1.68 -0.32 0.00 0.43 0.00 0.00 52.55 51.00 2cri s ASP 31 Cb 0.09 0.51 -0.11 0.00 -0.30 0.00 0.00 42.92 43.10 2cri s ASP 31 CO 0.55 -0.96 1.71 -0.69 -0.17 0.00 0.00 175.17 175.61 2cri s VAL 32 N -3.31 2.22 0.19 1.11 1.01 -1.26 -4.07 120.40 116.29 2cri s VAL 32 Ca 0.29 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.41 2cri s VAL 32 Cb 0.03 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2cri s VAL 32 CO 0.18 0.01 0.26 -0.69 0.00 0.00 0.00 175.10 174.86 2cri s VAL 33 N 1.43 5.01 -0.17 2.92 1.01 -0.40 -4.94 120.40 125.26 2cri s VAL 33 Ca 0.75 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2cri s VAL 33 Cb -0.48 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.31 2cri s VAL 33 CO 0.32 -0.20 -0.00 -0.89 0.00 0.00 0.00 175.10 174.33 2cri s THR 34 N -1.87 0.74 -0.14 3.92 2.01 -1.26 -1.67 115.64 117.36 2cri s THR 34 Ca 0.33 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2cri s THR 34 Cb -0.10 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.36 2cri s THR 34 CO 0.27 -0.01 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.13 2cri s THR 35 N 1.78 1.71 -0.09 -0.82 2.01 0.66 -4.87 115.64 116.03 2cri s THR 35 Ca 0.00 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.12 2cri s THR 35 Cb -0.16 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 2cri s THR 35 CO -0.07 0.48 0.37 0.54 -0.69 0.00 0.00 174.62 175.25 2cri s ASN 36 N 1.25 6.63 -0.23 3.53 2.20 -1.26 0.77 114.94 127.84 2cri s ASN 36 Ca 0.01 0.75 0.01 0.00 -0.94 0.00 0.00 52.86 52.68 2cri s ASN 36 Cb -0.14 -2.22 0.03 0.00 -2.00 0.00 0.00 41.25 36.92 2cri s ASN 36 CO -0.08 0.18 -0.12 -0.22 -2.94 0.00 0.00 177.10 173.92 2cri s LEU 37 N -0.18 2.89 0.21 3.54 0.20 -0.73 -4.88 118.68 119.73 2cri s LEU 37 Ca 0.21 -0.94 -0.22 0.00 0.69 0.00 0.00 54.13 53.87 2cri s LEU 37 Cb -0.15 -1.57 -0.08 0.00 -0.43 0.00 0.00 46.19 43.96 2cri s LEU 37 CO 0.09 -0.10 0.76 -0.54 -0.29 0.00 0.00 176.35 176.27 2cri s LYS 38 N 1.25 4.39 -0.23 1.98 1.02 -0.81 -1.55 119.74 125.79 2cri s LYS 38 Ca -0.01 1.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.96 2cri s LYS 38 Cb -0.16 -3.01 0.07 0.00 -0.52 0.00 0.00 37.83 34.21 2cri s LYS 38 CO -0.08 0.45 0.08 -0.51 -0.92 0.00 0.00 175.35 174.37 2cri s LEU 39 N -1.68 1.01 0.37 3.17 1.43 0.30 -0.93 118.68 122.36 2cri s LEU 39 Ca 0.41 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 2cri s LEU 39 Cb -0.19 -0.50 -0.08 0.00 0.03 0.00 0.00 46.19 45.45 2cri s LEU 39 CO 0.23 -0.36 0.78 -1.58 0.23 0.00 0.00 176.35 175.65 2cri s GLN 40 N 1.94 3.94 -0.29 1.70 0.74 -0.97 -1.91 119.66 124.81 2cri s GLN 40 Ca 0.03 0.65 -0.00 0.00 0.05 0.00 0.00 55.36 56.10 2cri s GLN 40 Cb -0.17 -2.38 0.09 0.00 1.10 0.00 0.00 33.01 31.65 2cri s GLN 40 CO -0.17 0.05 0.06 1.21 -0.55 0.00 0.00 175.29 175.89 2cri s ASN 41 N -2.62 4.01 0.27 6.67 2.47 -1.05 -0.76 114.94 123.93 2cri s ASN 41 Ca 0.54 -1.57 0.05 0.00 0.42 0.00 0.00 52.86 52.30 2cri s ASN 41 Cb -0.10 -1.00 0.38 0.00 -1.45 0.00 0.00 41.25 39.07 2cri s ASN 41 CO 0.23 -0.37 1.65 1.55 -3.72 0.00 0.00 177.10 176.44 2cri h PRO 42 N 8.01 0.28 -7.25 0.43 0.13 -1.91 -1.14 132.00 130.54 2cri h PRO 42 Ca -0.13 -0.15 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 2cri h PRO 42 Cb 1.03 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.36 2cri h PRO 42 CO 0.46 0.68 0.18 -1.54 -0.23 0.00 0.00 178.00 177.55 2cri s SER 43 N -6.88 2.58 -0.27 1.44 1.04 -1.26 -4.69 113.70 105.65 2cri s SER 43 Ca -0.05 2.01 0.12 0.00 0.48 0.00 0.00 55.95 58.51 2cri s SER 43 Cb 0.13 -2.50 0.68 0.00 0.10 0.00 0.00 66.02 64.43 2cri s SER 43 CO 0.78 -3.29 1.67 0.47 0.98 0.00 0.00 173.24 173.86 2cri n ASP 44 N -4.34 4.48 -4.02 7.02 8.00 -1.26 -2.82 116.55 123.59 2cri n ASP 44 Ca 0.10 -3.20 -0.10 0.00 0.71 0.00 0.00 54.79 52.30 2cri n ASP 44 Cb 0.53 -0.68 -0.11 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.96 0.43 0.70 -1.24 1.70 -1.26 -4.82 118.95 111.49 2cri s ARG 45 Ca 0.51 -0.74 -0.16 0.00 -0.47 0.00 0.00 55.73 54.86 2cri s ARG 45 Cb 0.41 -0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 2cri s ARG 45 CO 0.11 -0.02 1.09 1.63 -1.08 0.00 0.00 175.30 177.03 2cri n LYS 46 N 1.35 0.69 -3.78 3.89 5.02 -1.26 -4.35 118.16 119.73 2cri n LYS 46 Ca -0.22 0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 2cri n LYS 46 Cb 0.56 -2.33 -0.15 0.00 -0.02 0.00 0.00 35.03 33.08 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 -1.69 -0.05 -0.05 -0.18 1.01 -1.21 -2.97 120.40 115.26 2cri s VAL 47 Ca 0.77 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 2cri s VAL 47 Cb -0.36 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2cri s VAL 47 CO 0.47 0.07 0.64 0.00 0.00 0.00 0.00 175.10 176.28 2cri s PHE 49 N 0.47 0.98 -0.10 0.00 -0.71 -0.93 -0.44 117.98 117.25 2cri s PHE 49 Ca 0.34 -0.62 -0.03 0.00 -1.04 0.00 0.00 56.93 55.58 2cri s PHE 49 Cb -0.17 -0.55 0.04 0.00 -1.21 0.00 0.00 43.02 41.13 2cri s PHE 49 CO 0.17 -0.02 0.04 0.15 -1.34 0.00 0.00 175.22 174.22 2cri s LYS 50 N -2.47 0.27 -0.01 1.99 1.02 -0.25 -2.86 119.74 117.45 2cri s LYS 50 Ca 0.01 0.07 -0.28 0.00 0.02 0.00 0.00 55.97 55.80 2cri s LYS 50 Cb -0.05 -1.18 -0.04 0.00 -0.52 0.00 0.00 37.83 36.05 2cri s LYS 50 CO -0.00 -0.44 0.89 0.08 -0.92 0.00 0.00 175.35 174.96 2cri s VAL 51 N 2.06 4.88 -0.27 3.17 1.01 -0.97 -2.35 120.40 127.92 2cri s VAL 51 Ca 0.03 1.87 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 2cri s VAL 51 Cb -0.14 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.09 2cri s VAL 51 CO -0.06 0.21 0.68 -0.54 0.00 0.00 0.00 175.10 175.40 2cri s LYS 52 N 0.79 0.75 0.05 2.72 1.02 -1.24 -4.87 119.74 118.95 2cri s LYS 52 Ca 0.47 1.09 0.03 0.00 0.02 0.00 0.00 55.97 57.57 2cri s LYS 52 Cb -0.20 0.25 -0.02 0.00 -0.52 0.00 0.00 37.83 37.34 2cri s LYS 52 CO 0.25 -0.13 -0.09 -0.08 -0.92 0.00 0.00 175.35 174.39 2cri s THR 53 N 1.04 0.62 0.61 2.17 -1.32 -1.26 -3.01 115.64 114.49 2cri s THR 53 Ca -0.05 -1.11 0.24 0.00 -1.21 0.00 0.00 61.69 59.55 2cri s THR 53 Cb -0.05 -0.67 0.35 0.00 -1.51 0.00 0.00 72.50 70.61 2cri s THR 53 CO -0.10 -0.36 1.29 0.71 -2.21 0.00 0.00 174.62 173.95 2cri h THR 54 N 4.46 0.01 -3.63 5.08 1.35 -1.95 -2.95 112.91 115.28 2cri h THR 54 Ca -0.36 0.00 -0.74 0.00 -0.55 0.00 0.00 66.41 64.75 2cri h THR 54 Cb 1.20 0.03 -0.31 0.00 -1.73 0.00 0.00 68.15 67.34 2cri h THR 54 CO 0.41 0.00 -0.08 0.00 -0.25 0.00 0.00 175.52 175.60 2cri s ALA 55 N -4.40 3.97 0.23 6.62 0.00 -1.26 -4.90 121.76 122.03 2cri s ALA 55 Ca -0.02 -3.43 0.00 0.00 0.00 0.00 0.00 51.96 48.51 2cri s ALA 55 Cb 0.13 -3.09 0.25 0.00 0.00 0.00 0.00 23.12 20.40 2cri s ALA 55 CO 0.42 -2.19 1.60 -1.00 0.00 0.00 0.00 175.76 174.59 2cri h PRO 56 N 7.12 0.48 0.04 0.00 0.13 -1.79 -2.53 132.00 135.45 2cri h PRO 56 Ca 0.07 -0.25 -0.37 0.00 -0.87 0.00 0.00 66.00 64.59 2cri h PRO 56 Cb 0.96 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.05 2cri h PRO 56 CO 0.77 0.83 -2.10 -2.13 -0.23 0.00 0.00 178.00 175.14 2cri n ARG 57 N -4.01 0.65 0.05 0.86 0.63 -1.26 -4.26 116.66 109.33 2cri n ARG 57 Ca -0.02 0.30 0.14 0.00 -0.92 0.00 0.00 57.85 57.35 2cri n ARG 57 Cb 0.53 -1.62 0.63 0.00 0.45 0.00 0.00 32.46 32.44 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 -0.39 0.10 -6.05 -0.14 2.43 -1.96 -3.40 114.38 104.97 2cri h ARG 58 Ca -0.51 -0.01 -0.68 0.00 -0.81 0.00 0.00 59.98 57.97 2cri h ARG 58 Cb 1.76 -0.02 -0.26 0.00 -0.42 0.00 0.00 29.97 31.03 2cri h ARG 58 CO -0.13 0.07 -0.79 0.71 -1.51 0.00 0.00 179.97 178.32 2cri s TYR 59 N -5.13 2.66 -0.48 2.20 1.51 -0.95 -1.28 117.35 115.88 2cri s TYR 59 Ca -0.06 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 2cri s TYR 59 Cb 0.19 -1.67 0.13 0.00 -0.11 0.00 0.00 41.96 40.49 2cri s TYR 59 CO 0.72 0.01 0.22 0.00 -1.11 0.00 0.00 175.55 175.39 2cri s VAL 61 N 0.02 5.06 -0.18 0.00 -7.23 -1.26 -1.24 120.40 115.57 2cri s VAL 61 Ca 0.16 1.00 -0.07 0.00 -1.81 0.00 0.00 61.98 61.25 2cri s VAL 61 Cb -0.24 -3.82 0.08 0.00 0.56 0.00 0.00 36.38 32.96 2cri s VAL 61 CO -0.02 0.42 0.41 -0.60 -0.31 0.00 0.00 175.10 175.00 2cri s ARG 62 N -0.07 0.33 0.66 4.82 3.52 -0.10 -3.38 118.95 124.73 2cri s ARG 62 Ca 0.26 0.94 -0.15 0.00 -0.13 0.00 0.00 55.73 56.66 2cri s ARG 62 Cb -0.16 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 2cri s ARG 62 CO 0.13 -0.23 1.11 -1.25 -0.81 0.00 0.00 175.30 174.25 2cri s PRO 63 N 2.23 2.77 0.00 5.12 0.04 -1.26 -0.94 135.00 142.96 2cri s PRO 63 Ca -0.04 1.38 0.28 0.00 0.04 0.00 0.00 61.00 62.66 2cri s PRO 63 Cb -0.11 -1.95 0.97 0.00 0.04 0.00 0.00 34.50 33.45 2cri s PRO 63 CO -0.12 -1.27 1.70 0.27 0.04 0.00 0.00 177.00 177.61 2cri n ASN 64 N -2.48 1.52 -3.59 6.66 0.23 -1.22 -4.77 115.26 111.62 2cri n ASN 64 Ca 0.10 -1.46 -0.06 0.00 -0.53 0.00 0.00 54.58 52.64 2cri n ASN 64 Cb 0.52 0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 2cri n ASN 64 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2cri s SER 65 N -2.06 -0.21 0.00 0.53 1.04 -1.26 -2.29 113.70 109.44 2cri s SER 65 Ca 0.36 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2cri s SER 65 Cb 0.21 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2cri s SER 65 CO 0.36 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2cri n GLY 66 N 0.27 -2.33 3.59 7.32 0.00 -1.13 -5.05 105.19 107.85 2cri n GLY 66 Ca -0.04 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.15 3.94 -0.42 -0.61 1.01 -1.26 -2.19 121.20 119.51 2cri s ILE 67 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 2cri s ILE 67 Cb 0.00 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.84 2cri s ILE 67 CO 0.00 0.57 0.33 -0.63 0.00 0.00 0.00 174.94 175.21 2cri s ILE 68 N -0.50 5.23 0.61 2.92 1.01 -0.68 -4.92 121.20 124.87 2cri s ILE 68 Ca 0.08 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 2cri s ILE 68 Cb -0.12 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 2cri s ILE 68 CO 0.02 -0.34 0.38 0.47 0.00 0.00 0.00 174.94 175.46 2cri n ASP 69 N 5.24 -1.66 -4.69 3.58 8.00 -1.26 -3.35 116.55 122.40 2cri n ASP 69 Ca -0.10 0.67 -0.42 0.00 0.71 0.00 0.00 54.79 55.65 2cri n ASP 69 Cb 0.47 -1.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 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 -2.06 4.28 -0.65 -0.24 0.04 -1.26 -3.20 135.00 131.91 2cri s PRO 70 Ca 0.65 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.68 2cri s PRO 70 Cb -0.42 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.60 2cri s PRO 70 CO 0.58 -0.57 0.57 0.41 0.04 0.00 0.00 177.00 178.03 2cri n GLY 71 N 3.66 0.18 3.22 0.56 0.00 -0.43 -4.92 105.19 107.46 2cri n GLY 71 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.27 0.18 -0.14 1.61 0.01 -1.19 -4.96 113.70 105.94 2cri s SER 72 Ca 0.23 -0.84 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 2cri s SER 72 Cb -0.10 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.45 2cri s SER 72 CO 0.36 -0.76 -0.11 -0.63 0.41 0.00 0.00 173.24 172.51 2cri s ILE 73 N -3.92 3.22 -0.09 1.44 1.01 -1.26 -2.53 121.20 119.07 2cri s ILE 73 Ca 0.11 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2cri s ILE 73 Cb 0.05 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2cri s ILE 73 CO -0.06 0.51 -0.09 -0.69 0.00 0.00 0.00 174.94 174.61 2cri s VAL 74 N 0.40 3.49 -0.27 2.92 1.01 -0.80 -4.88 120.40 122.27 2cri s VAL 74 Ca -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2cri s VAL 74 Cb -0.16 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.81 2cri s VAL 74 CO 0.05 0.57 -0.00 -0.89 0.00 0.00 0.00 175.10 174.82 2cri s THR 75 N -0.44 3.31 -0.10 3.92 2.01 -1.26 -0.54 115.64 122.55 2cri s THR 75 Ca 0.06 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 2cri s THR 75 Cb -0.12 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 2cri s THR 75 CO 0.02 0.14 0.31 -0.69 -0.69 0.00 0.00 174.62 173.71 2cri s VAL 76 N 1.39 5.25 -0.83 3.82 1.01 -0.60 -4.86 120.40 125.59 2cri s VAL 76 Ca 0.01 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 2cri s VAL 76 Cb -0.17 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.63 2cri s VAL 76 CO -0.02 0.48 1.32 -0.44 0.00 0.00 0.00 175.10 176.44 2cri s SER 77 N -0.25 6.28 -0.77 3.32 0.01 -0.11 -1.77 113.70 120.41 2cri s SER 77 Ca 0.19 -0.84 -0.17 0.00 1.31 0.00 0.00 55.95 56.44 2cri s SER 77 Cb -0.14 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.70 2cri s SER 77 CO 0.07 -1.69 0.81 -0.69 0.41 0.00 0.00 173.24 172.15 2cri s VAL 78 N 5.34 5.17 0.30 3.43 1.01 0.23 -0.92 120.40 134.96 2cri s VAL 78 Ca 0.38 -1.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.41 2cri s VAL 78 Cb -0.06 -4.54 -0.09 0.00 0.00 0.00 0.00 36.38 31.70 2cri s VAL 78 CO 0.06 -1.15 0.72 -0.04 0.00 0.00 0.00 175.10 174.68 2cri s MET 79 N 1.53 4.00 -0.18 2.72 -1.94 -0.37 -0.25 119.30 124.81 2cri s MET 79 Ca 0.18 0.65 0.01 0.00 -1.71 0.00 0.00 55.69 54.82 2cri s MET 79 Cb -0.14 -2.49 0.04 0.00 2.01 0.00 0.00 34.83 34.24 2cri s MET 79 CO -0.04 0.19 -0.11 -1.17 -0.01 0.00 0.00 175.02 173.88 2cri s LEU 80 N -2.88 2.06 0.41 -0.03 0.20 -0.67 -0.74 118.68 117.02 2cri s LEU 80 Ca 0.52 -0.75 -0.26 0.00 0.69 0.00 0.00 54.13 54.33 2cri s LEU 80 Cb -0.11 -1.20 -0.09 0.00 -0.43 0.00 0.00 46.19 44.37 2cri s LEU 80 CO 0.18 -0.12 1.30 -1.10 -0.29 0.00 0.00 176.35 176.32 2cri s GLN 81 N 1.44 3.96 0.27 1.98 1.11 -0.41 -1.27 119.66 126.74 2cri s GLN 81 Ca 0.01 2.15 -0.29 0.00 0.01 0.00 0.00 55.36 57.24 2cri s GLN 81 Cb -0.15 -2.75 -0.10 0.00 -1.01 0.00 0.00 33.01 29.00 2cri s GLN 81 CO -0.09 -0.49 1.25 -1.25 0.01 0.00 0.00 175.29 174.72 2cri s PRO 82 N -2.25 4.44 0.18 2.91 0.04 -1.26 -4.91 135.00 134.16 2cri s PRO 82 Ca 0.57 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.49 2cri s PRO 82 Cb -0.38 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.04 2cri s PRO 82 CO 0.49 -0.11 0.49 -0.59 0.04 0.00 0.00 177.00 177.32 2cri s PHE 83 N -0.70 -0.09 -0.99 0.56 -0.12 -1.16 -5.00 117.98 110.48 2cri s PHE 83 Ca 0.50 -0.25 -0.25 0.00 -0.05 0.00 0.00 56.93 56.89 2cri s PHE 83 Cb -0.37 0.34 -0.12 0.00 -0.63 0.00 0.00 43.02 42.24 2cri s PHE 83 CO 0.45 -0.87 2.10 0.16 -0.05 0.00 0.00 175.22 177.01 2cri s ASP 84 N -2.87 4.37 -0.46 1.98 -4.77 -1.26 -4.80 116.67 108.86 2cri s ASP 84 Ca 0.09 -0.82 -0.33 0.00 -3.30 0.00 0.00 52.55 48.19 2cri s ASP 84 Cb -0.00 -2.57 -0.12 0.00 -1.09 0.00 0.00 42.92 39.13 2cri s ASP 84 CO -0.04 -3.62 2.29 0.00 0.70 0.00 0.00 175.17 174.50 2cri n TYR 85 N 16.69 1.43 -3.57 2.11 9.36 -1.26 -4.91 117.16 137.01 2cri n TYR 85 Ca 0.43 0.27 -0.40 0.00 3.32 0.00 0.00 57.90 61.52 2cri n TYR 85 Cb 0.46 -2.53 -0.11 0.00 -0.63 0.00 0.00 39.34 36.53 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 8.33 5.87 0.32 2.98 1.01 -1.26 -4.95 116.67 128.97 2cri s ASP 86 Ca 1.11 -0.49 0.26 0.00 0.71 0.00 0.00 52.55 54.14 2cri s ASP 86 Cb -0.81 -2.09 1.08 0.00 1.01 0.00 0.00 42.92 42.12 2cri s ASP 86 CO 0.45 -0.23 1.77 1.55 0.21 0.00 0.00 175.17 178.93 2cri h PRO 87 N 8.44 0.00 0.00 8.23 0.13 -2.03 -2.65 132.00 144.12 2cri h PRO 87 Ca -0.31 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.68 2cri h PRO 87 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2cri h PRO 87 CO 0.63 0.00 -0.90 -0.91 -0.23 0.00 0.00 178.00 176.59 2cri h ASN 88 N 0.00 0.00 -2.38 1.44 2.35 -2.00 -3.36 115.58 111.62 2cri h ASN 88 Ca 0.00 0.00 -0.81 0.00 -0.55 0.00 0.00 56.30 54.94 2cri h ASN 88 Cb 0.39 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 38.49 2cri h ASN 88 CO 0.00 0.58 1.04 1.21 -1.65 0.00 0.00 177.43 178.60 2cri n GLU 89 N -3.11 5.12 -3.37 0.81 4.07 -1.00 -5.00 120.64 118.17 2cri n GLU 89 Ca -0.03 -4.57 -0.22 0.00 -0.06 0.00 0.00 57.16 52.27 2cri n GLU 89 Cb 0.80 -2.49 -0.01 0.00 -0.06 0.00 0.00 31.44 29.68 2cri n GLU 89 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2cri s LYS 90 N -3.71 3.31 -1.50 5.31 1.02 -1.26 -4.38 119.74 118.53 2cri s LYS 90 Ca 0.37 -0.54 -0.13 0.00 0.02 0.00 0.00 55.97 55.70 2cri s LYS 90 Cb 0.15 -2.69 0.07 0.00 -0.52 0.00 0.00 37.83 34.84 2cri s LYS 90 CO -0.06 0.06 1.00 0.45 -0.92 0.00 0.00 175.35 175.88 2cri n SER 91 N -1.79 -5.16 -1.87 2.83 2.88 -1.26 -4.88 113.62 104.36 2cri n SER 91 Ca -0.03 -0.70 -0.20 0.00 -1.33 0.00 0.00 58.87 56.61 2cri n SER 91 Cb 0.57 -4.11 0.04 0.00 -0.75 0.00 0.00 64.21 59.96 2cri n SER 91 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2cri n LYS 92 N -4.70 3.31 -3.60 -1.46 3.00 -1.26 -5.03 118.16 108.41 2cri n LYS 92 Ca 0.03 -4.04 -0.03 0.00 -0.00 0.00 0.00 58.31 54.27 2cri n LYS 92 Cb 0.53 -2.17 -0.02 0.00 0.00 0.00 0.00 35.03 33.38 2cri n LYS 92 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 2cri s HIS 93 N -3.55 -0.14 0.34 5.64 -3.43 -1.26 -5.09 115.29 107.80 2cri s HIS 93 Ca 0.49 0.04 -0.18 0.00 -0.80 0.00 0.00 55.06 54.60 2cri s HIS 93 Cb 0.40 0.54 0.04 0.00 -1.43 0.00 0.00 32.58 32.13 2cri s HIS 93 CO 0.02 -0.34 0.76 0.15 -2.00 0.00 0.00 174.74 173.34 2cri s LYS 94 N -2.62 2.04 -0.09 -0.38 1.02 -1.26 -4.69 119.74 113.77 2cri s LYS 94 Ca 0.10 -1.24 -0.02 0.00 0.02 0.00 0.00 55.97 54.83 2cri s LYS 94 Cb 0.01 0.62 0.04 0.00 -0.52 0.00 0.00 37.83 37.97 2cri s LYS 94 CO -0.04 -0.95 0.05 0.12 -0.92 0.00 0.00 175.35 173.61 2cri s PHE 95 N -3.00 0.31 -0.13 3.18 2.19 0.80 -3.47 117.98 117.86 2cri s PHE 95 Ca 0.14 -0.05 0.02 0.00 0.33 0.00 0.00 56.93 57.37 2cri s PHE 95 Cb -0.05 -0.64 0.01 0.00 -1.31 0.00 0.00 43.02 41.02 2cri s PHE 95 CO 0.09 -0.32 -0.21 -1.64 1.83 0.00 0.00 175.22 174.98 2cri s MET 96 N 2.09 2.87 -0.10 10.12 -1.94 -1.16 -0.94 119.30 130.24 2cri s MET 96 Ca 0.04 -0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 53.21 2cri s MET 96 Cb -0.13 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 2cri s MET 96 CO -0.05 -0.02 -0.06 0.08 -0.01 0.00 0.00 175.02 174.96 2cri s VAL 97 N 0.83 3.72 -0.09 -6.03 1.01 -0.96 -3.66 120.40 115.22 2cri s VAL 97 Ca -0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2cri s VAL 97 Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2cri s VAL 97 CO -0.02 0.56 0.13 -1.58 0.00 0.00 0.00 175.10 174.20 2cri s GLN 98 N -0.38 3.39 -0.05 2.72 0.74 -0.99 0.55 119.66 125.63 2cri s GLN 98 Ca 0.06 -0.20 -0.05 0.00 0.05 0.00 0.00 55.36 55.21 2cri s GLN 98 Cb -0.12 -3.13 0.01 0.00 1.10 0.00 0.00 33.01 30.87 2cri s GLN 98 CO 0.02 0.75 0.15 0.95 -0.55 0.00 0.00 175.29 176.61 2cri s THR 99 N -1.08 0.00 -0.07 -0.34 -4.23 0.05 -1.09 115.64 108.89 2cri s THR 99 Ca 0.17 -0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.47 2cri s THR 99 Cb -0.12 -0.22 0.04 0.00 1.34 0.00 0.00 72.50 73.54 2cri s THR 99 CO 0.07 -0.01 0.46 -0.51 -0.54 0.00 0.00 174.62 174.09 2cri s ILE 100 N 0.04 0.03 0.37 2.99 2.07 0.42 -2.14 121.20 124.97 2cri s ILE 100 Ca -0.00 -0.21 -0.27 0.00 -1.41 0.00 0.00 60.65 58.75 2cri s ILE 100 Cb -0.01 -0.73 -0.10 0.00 0.13 0.00 0.00 42.46 41.75 2cri s ILE 100 CO 0.00 -0.11 1.33 -0.36 -1.91 0.00 0.00 174.94 173.89 2cri s PHE 101 N -0.82 2.87 0.09 3.50 0.08 -1.26 -0.34 117.98 122.10 2cri s PHE 101 Ca -0.09 1.37 -0.17 0.00 0.12 0.00 0.00 56.93 58.16 2cri s PHE 101 Cb -0.03 -3.73 -0.07 0.00 -0.57 0.00 0.00 43.02 38.62 2cri s PHE 101 CO 0.05 -2.15 0.56 0.00 -0.10 0.00 0.00 175.22 173.57 2cri s ALA 102 N -1.19 3.59 0.75 5.36 0.00 -1.16 -4.73 121.76 124.38 2cri s ALA 102 Ca 0.53 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 2cri s ALA 102 Cb -0.40 -2.59 0.05 0.00 0.00 0.00 0.00 23.12 20.18 2cri s ALA 102 CO 0.53 0.42 1.09 -1.25 0.00 0.00 0.00 175.76 176.55 2cri s PRO 103 N -1.39 2.34 0.05 0.00 0.04 -1.26 -4.90 135.00 129.88 2cri s PRO 103 Ca 0.32 1.21 0.16 0.00 0.04 0.00 0.00 61.00 62.72 2cri s PRO 103 Cb -0.18 -1.90 0.67 0.00 0.04 0.00 0.00 34.50 33.13 2cri s PRO 103 CO 0.19 -1.58 1.50 -0.35 0.04 0.00 0.00 177.00 176.79 2cri n PRO 104 N -3.34 0.03 -0.15 0.56 -0.04 -1.26 -2.37 135.00 128.44 2cri n PRO 104 Ca 0.09 0.29 0.06 0.00 -0.04 0.00 0.00 63.50 63.90 2cri n PRO 104 Cb 0.53 -1.57 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 2cri n PRO 104 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2cri n ASN 105 N -1.63 1.72 -4.46 3.54 5.15 -1.26 -5.07 115.26 113.25 2cri n ASN 105 Ca 0.03 -2.64 -0.60 0.00 -0.60 0.00 0.00 54.58 50.78 2cri n ASN 105 Cb 0.18 -0.31 -0.08 0.00 -0.53 0.00 0.00 39.78 39.03 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cri n ILE 106 N -0.96 0.00 0.04 -1.44 3.06 -1.00 -4.87 119.36 114.19 2cri n ILE 106 Ca 0.10 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.35 2cri n ILE 106 Cb 0.60 -0.10 -0.00 0.00 0.54 0.00 0.00 39.64 40.67 2cri n ILE 106 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 2cri n SER 107 N 1.98 1.02 -4.03 9.51 2.88 -1.26 -5.04 113.62 118.68 2cri n SER 107 Ca 0.22 0.13 -0.30 0.00 -1.33 0.00 0.00 58.87 57.58 2cri n SER 107 Cb 0.05 -0.32 -0.16 0.00 -0.75 0.00 0.00 64.21 63.03 2cri n SER 107 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2cri s ASP 108 N -5.89 2.79 0.19 -3.46 1.01 -1.26 -5.03 116.67 105.03 2cri s ASP 108 Ca -0.01 -0.54 -0.19 0.00 0.71 0.00 0.00 52.55 52.53 2cri s ASP 108 Cb 0.00 -1.21 0.15 0.00 1.01 0.00 0.00 42.92 42.87 2cri s ASP 108 CO 0.01 -0.06 1.60 0.24 0.21 0.00 0.00 175.17 177.17 2cri h MET 109 N 8.04 -0.13 -1.05 8.23 2.86 -2.00 0.26 114.93 131.15 2cri h MET 109 Ca -0.38 0.01 0.31 0.00 -2.06 0.00 0.00 59.70 57.58 2cri h MET 109 Cb 1.13 0.03 -0.13 0.00 0.06 0.00 0.00 31.60 32.69 2cri h MET 109 CO 0.53 -0.08 0.63 0.93 1.06 0.00 0.00 176.91 179.98 2cri h GLU 110 N -0.13 0.35 -0.29 1.72 5.08 -1.99 0.35 114.58 119.66 2cri h GLU 110 Ca 0.25 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2cri h GLU 110 Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2cri h GLU 110 CO -0.65 0.23 -0.26 0.00 -1.00 0.00 0.00 179.01 177.33 2cri h ALA 111 N 1.76 0.43 0.58 3.43 0.00 -0.93 -1.81 119.26 122.71 2cri h ALA 111 Ca 0.70 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2cri h ALA 111 Cb 1.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2cri h ALA 111 CO -0.50 0.42 -0.38 0.28 0.00 0.00 0.00 179.25 179.07 2cri h VAL 112 N 0.44 0.23 -0.81 0.00 2.07 0.36 0.11 116.25 118.65 2cri h VAL 112 Ca 0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.60 2cri h VAL 112 Cb 0.82 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2cri h VAL 112 CO 0.07 0.00 0.53 -0.50 0.02 0.00 0.00 177.57 177.69 2cri h TRP 113 N -0.91 0.98 0.02 1.57 4.06 -1.33 0.32 115.95 120.65 2cri h TRP 113 Ca -0.07 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 2cri h TRP 113 Cb 0.75 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 2cri h TRP 113 CO -0.12 0.59 -0.01 0.87 -3.56 0.00 0.00 178.44 176.21 2cri h LYS 114 N 1.03 -0.02 -0.11 0.49 1.57 -1.00 -2.96 116.57 115.58 2cri h LYS 114 Ca 0.31 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.98 2cri h LYS 114 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2cri h LYS 114 CO -0.08 0.14 -0.45 0.93 -0.57 0.00 0.00 179.45 179.41 2cri h GLU 115 N -0.17 0.26 -6.49 3.15 5.08 -0.41 -3.45 114.58 112.55 2cri h GLU 115 Ca -0.00 -0.13 -0.61 0.00 -1.00 0.00 0.00 59.36 57.61 2cri h GLU 115 Cb 0.17 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.51 2cri h GLU 115 CO 0.00 0.66 0.38 0.00 -1.00 0.00 0.00 179.01 179.06 2cri n ALA 116 N -2.47 0.17 -2.32 3.43 0.00 0.11 -4.96 120.51 114.46 2cri n ALA 116 Ca -0.02 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 2cri n ALA 116 Cb 0.51 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 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 -0.76 3.79 0.07 0.00 -0.14 -1.26 -4.96 119.74 116.47 2cri s LYS 117 Ca 0.67 0.34 0.17 0.00 -1.36 0.00 0.00 55.97 55.78 2cri s LYS 117 Cb -0.73 -2.53 0.70 0.00 -1.68 0.00 0.00 37.83 33.60 2cri s LYS 117 CO 0.54 0.15 1.52 -0.35 -0.76 0.00 0.00 175.35 176.45 2cri n PRO 118 N -0.74 0.05 0.02 -1.68 -0.04 -1.26 -0.92 135.00 130.44 2cri n PRO 118 Ca 0.01 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 2cri n PRO 118 Cb 0.53 -1.60 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.69 0.31 -0.02 3.54 8.00 -1.26 -4.27 116.55 121.15 2cri n ASP 119 Ca 0.03 0.12 0.07 0.00 0.71 0.00 0.00 54.79 55.72 2cri n ASP 119 Cb 0.18 1.38 -0.16 0.00 -0.02 0.00 0.00 41.12 42.50 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 -2.44 0.67 -2.18 -1.24 4.71 -0.94 -4.95 120.64 114.27 2cri n GLU 120 Ca -0.04 -0.16 -0.42 0.00 -0.01 0.00 0.00 57.16 56.53 2cri n GLU 120 Cb 0.60 -1.50 -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 -4.63 4.40 0.19 -4.62 1.43 -0.10 -4.97 118.68 110.38 2cri s LEU 121 Ca -0.08 2.40 0.05 0.00 -1.03 0.00 0.00 54.13 55.47 2cri s LEU 121 Cb 0.12 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2cri s LEU 121 CO 0.86 -0.59 0.24 -0.04 0.23 0.00 0.00 176.35 177.05 2cri s MET 122 N 0.33 3.19 0.28 1.70 -1.94 -0.91 -4.97 119.30 116.98 2cri s MET 122 Ca 0.60 -0.79 0.04 0.00 -1.71 0.00 0.00 55.69 53.83 2cri s MET 122 Cb -0.37 -2.78 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 2cri s MET 122 CO 0.36 0.47 0.21 -0.51 -0.01 0.00 0.00 175.02 175.54 2cri s ASP 123 N -3.44 1.14 -0.04 3.03 1.11 -1.26 -0.77 116.67 116.44 2cri s ASP 123 Ca 0.33 -1.60 -0.01 0.00 0.18 0.00 0.00 52.55 51.45 2cri s ASP 123 Cb -0.10 0.47 0.03 0.00 1.07 0.00 0.00 42.92 44.39 2cri s ASP 123 CO 0.26 -0.96 0.04 -0.55 1.18 0.00 0.00 175.17 175.14 2cri s SER 124 N -3.30 1.03 -0.42 0.27 0.15 0.19 -4.23 113.70 107.39 2cri s SER 124 Ca 0.39 0.03 -0.26 0.00 0.70 0.00 0.00 55.95 56.81 2cri s SER 124 Cb 0.04 -0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2cri s SER 124 CO 0.21 -0.21 0.96 -0.75 1.20 0.00 0.00 173.24 174.65 2cri s LYS 125 N 1.89 3.71 -0.06 5.44 2.47 -1.26 -2.25 119.74 129.67 2cri s LYS 125 Ca 0.02 0.43 0.00 0.00 -1.56 0.00 0.00 55.97 54.86 2cri s LYS 125 Cb -0.12 -3.86 0.02 0.00 -1.46 0.00 0.00 37.83 32.41 2cri s LYS 125 CO -0.03 -1.12 -0.03 -1.17 0.16 0.00 0.00 175.35 173.16 2cri s LEU 126 N 3.73 1.08 -0.18 5.43 0.20 -0.11 -4.93 118.68 123.90 2cri s LEU 126 Ca 0.39 -0.12 -0.12 0.00 0.69 0.00 0.00 54.13 54.98 2cri s LEU 126 Cb -0.10 -0.46 -0.05 0.00 -0.43 0.00 0.00 46.19 45.14 2cri s LEU 126 CO 0.24 -0.10 0.20 -0.60 -0.29 0.00 0.00 176.35 175.79 2cri s ARG 127 N 1.31 4.19 0.00 1.98 3.52 -1.25 -0.14 118.95 128.56 2cri s ARG 127 Ca -0.05 -0.08 -0.22 0.00 -0.13 0.00 0.00 55.73 55.25 2cri s ARG 127 Cb -0.14 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 2cri s ARG 127 CO -0.02 0.29 0.64 0.00 -0.81 0.00 0.00 175.30 175.40 2cri s VAL 129 N -0.07 2.42 -0.47 0.00 1.01 -1.04 -4.93 120.40 117.32 2cri s VAL 129 Ca 0.33 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 2cri s VAL 129 Cb -0.19 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2cri s VAL 129 CO 0.19 0.55 0.82 -0.36 0.00 0.00 0.00 175.10 176.29 2cri s PHE 130 N 0.37 2.96 0.30 5.22 0.08 -1.26 -2.11 117.98 123.52 2cri s PHE 130 Ca -0.16 0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.12 2cri s PHE 130 Cb -0.17 -3.76 -0.04 0.00 -0.57 0.00 0.00 43.02 38.48 2cri s PHE 130 CO 0.07 -1.06 0.09 -1.21 -0.10 0.00 0.00 175.22 173.02 2cri s GLU 131 N 3.42 2.43 0.03 0.44 0.41 -0.85 -4.96 118.70 119.62 2cri s GLU 131 Ca 0.30 -1.41 0.02 0.00 -0.41 0.00 0.00 54.97 53.48 2cri s GLU 131 Cb -0.12 -2.24 -0.02 0.00 -1.78 0.00 0.00 34.13 29.97 2cri s GLU 131 CO 0.22 0.26 -0.08 -1.64 -0.49 0.00 0.00 175.26 173.53 2cri s MET 132 N -3.78 0.55 -0.95 1.61 -1.94 -1.26 -2.18 119.30 111.36 2cri s MET 132 Ca 0.34 -0.58 -0.24 0.00 -1.71 0.00 0.00 55.69 53.50 2cri s MET 132 Cb -0.05 -0.42 -0.05 0.00 2.01 0.00 0.00 34.83 36.31 2cri s MET 132 CO 0.22 0.10 1.95 -1.25 -0.01 0.00 0.00 175.02 176.02 2cri s PRO 133 N -1.07 2.54 0.10 2.03 0.04 -1.26 -4.80 135.00 132.58 2cri s PRO 133 Ca -0.05 -0.43 0.10 0.00 0.04 0.00 0.00 61.00 60.67 2cri s PRO 133 Cb -0.07 -5.09 -0.04 0.00 0.04 0.00 0.00 34.50 29.34 2cri s PRO 133 CO 0.00 -3.47 -0.26 -0.80 0.04 0.00 0.00 177.00 172.51 2cri s ASN 134 N 7.80 3.16 0.31 6.66 -0.87 -1.26 -5.01 114.94 125.72 2cri s ASN 134 Ca 0.70 -0.69 -0.29 0.00 -1.57 0.00 0.00 52.86 51.01 2cri s ASN 134 Cb -0.06 -0.23 -0.11 0.00 -0.02 0.00 0.00 41.25 40.84 2cri s ASN 134 CO 0.01 0.19 1.48 -0.70 -2.57 0.00 0.00 177.10 175.51 2cri s GLU 135 N -1.78 4.20 0.16 -0.60 2.56 -1.26 -5.02 118.70 116.95 2cri s GLU 135 Ca 0.12 2.44 0.09 0.00 0.00 0.00 0.00 54.97 57.63 2cri s GLU 135 Cb -0.10 -3.04 -0.04 0.00 2.00 0.00 0.00 34.13 32.95 2cri s GLU 135 CO 0.05 -0.48 -0.16 0.54 -0.56 0.00 0.00 175.26 174.65 2cri s ASN 136 N 0.13 3.93 -0.04 -1.70 4.22 -1.26 -5.03 114.94 115.20 2cri s ASN 136 Ca 0.57 -0.63 0.06 0.00 -2.14 0.00 0.00 52.86 50.72 2cri s ASN 136 Cb -0.44 -0.55 0.09 0.00 1.28 0.00 0.00 41.25 41.62 2cri s ASN 136 CO 0.51 0.14 0.95 -0.67 -2.04 0.00 0.00 177.10 175.99 2cri n ASP 137 N 0.41 1.27 -4.90 3.54 -0.08 -1.26 -5.06 116.55 110.47 2cri n ASP 137 Ca -0.13 -2.15 -0.30 0.00 -1.51 0.00 0.00 54.79 50.70 2cri n ASP 137 Cb 0.54 -0.18 -0.04 0.00 2.34 0.00 0.00 41.12 43.78 2cri n ASP 137 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2cri s LYS 138 N -1.17 3.62 0.07 -0.67 -2.85 -1.26 -5.10 119.74 112.38 2cri s LYS 138 Ca 0.10 -0.07 0.06 0.00 -1.00 0.00 0.00 55.97 55.06 2cri s LYS 138 Cb 0.09 -2.77 -0.04 0.00 -2.06 0.00 0.00 37.83 33.05 2cri s LYS 138 CO 0.01 0.38 -0.11 -1.17 0.10 0.00 0.00 175.35 174.56 2cri s LEU 139 N -3.02 2.98 -0.00 2.77 2.96 -1.26 -5.13 118.68 117.98 2cri s LEU 139 Ca 0.42 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 2cri s LEU 139 Cb -0.11 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 2cri s LEU 139 CO 0.26 0.22 0.05 0.21 -1.32 0.00 0.00 176.35 175.77 2cri s ASN 140 N -1.87 0.06 -0.04 3.68 3.84 -1.26 -5.16 114.94 114.20 2cri s ASN 140 Ca 0.19 -0.18 0.06 0.00 0.21 0.00 0.00 52.86 53.15 2cri s ASN 140 Cb -0.11 0.14 -0.01 0.00 -0.55 0.00 0.00 41.25 40.72 2cri s ASN 140 CO 0.10 -0.21 -0.23 1.51 -2.79 0.00 0.00 177.10 175.49 2cri s ASP 141 N -0.85 2.78 0.35 -4.21 1.47 -1.26 -5.14 116.67 109.82 2cri s ASP 141 Ca -0.09 -0.45 0.09 0.00 1.18 0.00 0.00 52.55 53.27 2cri s ASP 141 Cb -0.06 -0.57 -0.07 0.00 -0.34 0.00 0.00 42.92 41.89 2cri s ASP 141 CO 0.00 0.25 -0.06 -0.94 0.68 0.00 0.00 175.17 175.10 2cri s SER 142 N -0.30 3.65 -0.03 2.11 1.04 -1.26 -5.16 113.70 113.76 2cri s SER 142 Ca 0.02 -1.24 -0.29 0.00 0.48 0.00 0.00 55.95 54.92 2cri s SER 142 Cb -0.11 -0.34 0.10 0.00 0.10 0.00 0.00 66.02 65.77 2cri s SER 142 CO 0.01 -0.28 0.89 -0.83 0.98 0.00 0.00 173.24 174.01 2cri s GLY 143 N -3.62 -0.45 1.22 7.32 0.00 -1.26 -5.18 107.32 105.36 2cri s GLY 143 Ca 0.33 1.16 -0.20 0.00 0.00 0.00 0.00 44.72 46.02 2cri s GLY 143 CO 0.16 0.46 1.11 2.56 0.00 0.00 0.00 173.10 177.39 2cri s PRO 144 N -2.76 -1.35 0.21 2.90 0.04 -1.26 -5.09 135.00 127.69 2cri s PRO 144 Ca 0.03 -0.10 -0.22 0.00 0.04 0.00 0.00 61.00 60.74 2cri s PRO 144 Cb -0.01 -1.58 0.06 0.00 0.04 0.00 0.00 34.50 33.01 2cri s PRO 144 CO -0.07 -3.79 0.93 0.45 0.04 0.00 0.00 177.00 174.56 2cri s SER 145 N -3.92 -0.11 -0.90 6.66 0.15 -1.26 -5.07 113.70 109.25 2cri s SER 145 Ca 0.71 -0.61 -0.25 0.00 0.70 0.00 0.00 55.95 56.50 2cri s SER 145 Cb -0.09 0.57 -0.13 0.00 -1.71 0.00 0.00 66.02 64.67 2cri s SER 145 CO 0.56 -1.09 2.20 -0.55 1.20 0.00 0.00 173.24 175.56 2cri s SER 146 N -3.09 4.22 0.00 5.45 0.15 -1.26 -5.39 113.70 113.79 2cri s SER 146 Ca 0.15 -0.46 0.32 0.00 0.70 0.00 0.00 55.95 56.66 2cri s SER 146 Cb -0.03 -2.56 1.90 0.00 -1.71 0.00 0.00 66.02 63.62 2cri s SER 146 CO 0.05 -3.68 2.22 0.61 1.20 0.00 0.00 173.24 173.64