#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 5.06 0.10 1.61 0.01 -1.26 -4.89 113.70 114.33 2cri s SER 2 Ca 0.00 0.47 -0.23 0.00 1.31 0.00 0.00 55.95 57.50 2cri s SER 2 Cb 0.00 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.77 2cri s SER 2 CO 0.00 -2.52 0.58 -0.44 0.41 0.00 0.00 173.24 171.27 2cri s SER 3 N 9.06 -0.52 0.00 2.44 0.01 -1.26 -5.16 113.70 118.26 2cri s SER 3 Ca 0.74 0.12 0.00 0.00 1.31 0.00 0.00 55.95 58.13 2cri s SER 3 Cb -0.13 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2cri s SER 3 CO 0.21 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2cri n GLY 4 N 0.01 4.46 3.83 3.44 0.00 -1.26 -5.19 105.19 110.48 2cri n GLY 4 Ca -0.17 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.88 2cri n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cri s SER 5 N 0.00 -0.07 0.42 1.61 0.01 -1.26 -5.19 113.70 109.22 2cri s SER 5 Ca 0.00 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.48 2cri s SER 5 Cb 0.00 0.68 -0.03 0.00 0.21 0.00 0.00 66.02 66.88 2cri s SER 5 CO 0.00 -1.33 0.10 -0.94 0.41 0.00 0.00 173.24 171.48 2cri s SER 6 N -3.11 3.01 -0.04 2.44 1.04 -1.26 -5.16 113.70 110.63 2cri s SER 6 Ca 0.16 -1.63 -0.02 0.00 0.48 0.00 0.00 55.95 54.94 2cri s SER 6 Cb -0.04 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.54 2cri s SER 6 CO 0.08 -0.87 0.05 -0.83 0.98 0.00 0.00 173.24 172.65 2cri s GLY 7 N -3.65 0.19 -0.05 7.32 0.00 -1.26 -5.13 107.32 104.74 2cri s GLY 7 Ca 0.22 0.22 -0.02 0.00 0.00 0.00 0.00 44.72 45.13 2cri s GLY 7 CO 0.13 1.25 0.11 -3.16 0.00 0.00 0.00 173.10 171.43 2cri s MET 8 N 1.94 0.07 -0.30 2.90 0.00 -1.26 -5.14 119.30 117.52 2cri s MET 8 Ca 0.02 0.28 -0.16 0.00 0.00 0.00 0.00 55.69 55.84 2cri s MET 8 Cb -0.12 -0.14 0.17 0.00 0.00 0.00 0.00 34.83 34.73 2cri s MET 8 CO -0.03 -0.13 1.06 0.00 0.00 0.00 0.00 175.02 175.92 2cri s ALA 9 N 0.92 -2.56 -0.24 3.16 0.00 -1.26 -5.02 121.76 116.75 2cri s ALA 9 Ca -0.07 2.08 0.02 0.00 0.00 0.00 0.00 51.96 53.99 2cri s ALA 9 Cb -0.10 -1.91 0.34 0.00 0.00 0.00 0.00 23.12 21.45 2cri s ALA 9 CO -0.04 -0.57 1.44 1.63 0.00 0.00 0.00 175.76 178.23 2cri n LYS 10 N 4.01 1.68 -2.56 0.00 5.02 -1.26 -4.93 118.16 120.13 2cri n LYS 10 Ca -0.15 -1.50 -0.41 0.00 -2.02 0.00 0.00 58.31 54.23 2cri n LYS 10 Cb 0.56 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 2cri n LYS 10 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2cri s HIS 11 N -1.65 3.66 -0.04 2.13 -3.43 -1.26 -5.05 115.29 109.65 2cri s HIS 11 Ca 0.28 1.67 0.03 0.00 -0.80 0.00 0.00 55.06 56.25 2cri s HIS 11 Cb 0.24 -3.22 0.00 0.00 -1.43 0.00 0.00 32.58 28.17 2cri s HIS 11 CO 0.06 -0.39 -0.11 -1.83 -2.00 0.00 0.00 174.74 170.46 2cri s GLU 12 N -0.62 1.27 -0.01 -0.38 -1.05 -1.26 -5.00 118.70 111.65 2cri s GLU 12 Ca 0.47 -0.39 -0.21 0.00 -0.15 0.00 0.00 54.97 54.69 2cri s GLU 12 Cb -0.29 -1.14 0.04 0.00 -0.44 0.00 0.00 34.13 32.30 2cri s GLU 12 CO 0.35 0.13 0.45 1.14 0.95 0.00 0.00 175.26 178.28 2cri s GLN 13 N 0.25 0.85 0.06 -4.83 0.00 -1.26 -4.19 119.66 110.54 2cri s GLN 13 Ca -0.05 -0.08 -0.08 0.00 -0.00 0.00 0.00 55.36 55.14 2cri s GLN 13 Cb -0.11 0.39 -0.30 0.00 0.00 0.00 0.00 33.01 32.99 2cri s GLN 13 CO 0.01 -0.26 1.11 0.97 0.00 0.00 0.00 175.29 177.12 2cri h ILE 14 N 3.40 1.42 -3.31 3.63 6.09 -1.93 -3.44 117.51 123.37 2cri h ILE 14 Ca -0.29 -2.91 -0.60 0.00 -1.37 0.00 0.00 64.86 59.69 2cri h ILE 14 Cb 1.17 2.95 -0.09 0.00 0.47 0.00 0.00 36.82 41.32 2cri h ILE 14 CO 0.40 0.86 0.42 -0.76 -3.07 0.00 0.00 178.15 176.00 2cri s LEU 15 N -7.34 4.08 -0.62 2.19 1.43 -1.26 -4.33 118.68 112.83 2cri s LEU 15 Ca -0.06 0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 53.75 2cri s LEU 15 Cb 0.06 -3.14 0.03 0.00 0.03 0.00 0.00 46.19 43.17 2cri s LEU 15 CO 0.90 -0.49 1.26 -0.69 0.23 0.00 0.00 176.35 177.57 2cri s VAL 16 N 2.75 3.89 0.84 -1.59 1.01 0.67 -4.90 120.40 123.08 2cri s VAL 16 Ca 0.34 0.72 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 2cri s VAL 16 Cb -0.15 -4.73 0.10 0.00 0.00 0.00 0.00 36.38 31.59 2cri s VAL 16 CO 0.08 -1.46 1.09 -0.76 0.00 0.00 0.00 175.10 174.05 2cri s LEU 17 N 5.39 2.57 -0.16 3.92 1.02 -1.26 0.37 118.68 130.54 2cri s LEU 17 Ca 0.42 1.60 -0.04 0.00 0.02 0.00 0.00 54.13 56.13 2cri s LEU 17 Cb -0.08 -4.14 0.08 0.00 0.02 0.00 0.00 46.19 42.06 2cri s LEU 17 CO 0.22 -2.37 0.27 -0.62 0.02 0.00 0.00 176.35 173.87 2cri s ASP 18 N -3.44 0.54 0.25 2.29 -1.08 0.35 -1.49 116.67 114.09 2cri s ASP 18 Ca 0.62 0.41 -0.30 0.00 -0.52 0.00 0.00 52.55 52.76 2cri s ASP 18 Cb -0.17 0.69 -0.09 0.00 -1.46 0.00 0.00 42.92 41.88 2cri s ASP 18 CO 0.56 -0.26 1.27 -2.16 0.52 0.00 0.00 175.17 175.10 2cri s PRO 19 N 2.42 4.43 0.46 4.34 0.04 -1.26 -0.63 135.00 144.79 2cri s PRO 19 Ca 0.03 2.05 0.25 0.00 0.04 0.00 0.00 61.00 63.37 2cri s PRO 19 Cb -0.13 -3.16 1.05 0.00 0.04 0.00 0.00 34.50 32.30 2cri s PRO 19 CO -0.10 -0.15 1.88 -1.00 0.04 0.00 0.00 177.00 177.68 2cri h PRO 20 N 4.53 0.00 0.00 0.56 0.13 -1.63 -3.36 132.00 132.23 2cri h PRO 20 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2cri h PRO 20 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cri h PRO 20 CO 0.72 0.21 0.00 0.43 -0.23 0.00 0.00 178.00 179.13 2cri n SER 21 N -3.46 0.00 -3.90 1.44 7.64 -1.26 -4.91 113.62 109.17 2cri n SER 21 Ca -0.00 0.16 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 2cri n SER 21 Cb 0.38 -0.19 -0.09 0.00 -1.01 0.00 0.00 64.21 63.31 2cri n SER 21 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cri s ASP 22 N -1.82 0.13 -0.35 6.43 1.11 -1.26 -4.48 116.67 116.42 2cri s ASP 22 Ca 0.00 -0.47 -0.16 0.00 0.18 0.00 0.00 52.55 52.10 2cri s ASP 22 Cb 0.00 0.24 -0.01 0.00 1.07 0.00 0.00 42.92 44.23 2cri s ASP 22 CO 0.00 -0.51 0.41 -0.22 1.18 0.00 0.00 175.17 176.03 2cri s LEU 23 N -2.07 4.47 -0.06 1.23 2.96 -1.24 -4.56 118.68 119.41 2cri s LEU 23 Ca -0.06 -0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 53.51 2cri s LEU 23 Cb -0.02 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 2cri s LEU 23 CO -0.04 -0.41 0.28 -0.54 -1.32 0.00 0.00 176.35 174.32 2cri s LYS 24 N 2.14 3.69 -0.31 1.98 1.02 -1.26 -0.28 119.74 126.72 2cri s LYS 24 Ca 0.14 0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.28 2cri s LYS 24 Cb -0.16 -3.21 0.07 0.00 -0.52 0.00 0.00 37.83 34.01 2cri s LYS 24 CO 0.12 0.73 0.00 -0.06 -0.92 0.00 0.00 175.35 175.23 2cri s PHE 25 N -1.03 3.45 -0.15 3.18 0.40 -0.54 -4.94 117.98 118.35 2cri s PHE 25 Ca 0.19 -2.40 -0.29 0.00 -0.60 0.00 0.00 56.93 53.83 2cri s PHE 25 Cb -0.14 -2.42 -0.02 0.00 0.51 0.00 0.00 43.02 40.94 2cri s PHE 25 CO 0.09 -0.89 1.37 0.21 0.70 0.00 0.00 175.22 176.70 2cri s LYS 26 N 1.09 4.18 0.00 0.44 2.47 -1.26 -0.67 119.74 125.99 2cri s LYS 26 Ca -0.00 1.76 0.00 0.00 -1.56 0.00 0.00 55.97 56.17 2cri s LYS 26 Cb -0.20 -3.84 0.00 0.00 -1.46 0.00 0.00 37.83 32.33 2cri s LYS 26 CO -0.05 -0.79 0.00 0.41 0.16 0.00 0.00 175.35 175.08 2cri n GLY 27 N 3.83 -2.35 3.76 5.54 0.00 -1.10 -4.89 105.19 109.97 2cri n GLY 27 Ca 0.15 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.12 2.01 0.00 1.61 0.04 -1.26 -4.81 135.00 132.47 2cri s PRO 28 Ca 0.00 1.09 0.24 0.00 0.04 0.00 0.00 61.00 62.37 2cri s PRO 28 Cb 0.00 -1.87 0.81 0.00 0.04 0.00 0.00 34.50 33.48 2cri s PRO 28 CO 0.00 -1.79 1.60 1.19 0.04 0.00 0.00 177.00 178.04 2cri n PHE 29 N -3.61 0.14 0.30 0.56 3.72 -1.26 -4.10 117.46 113.20 2cri n PHE 29 Ca 0.09 -0.07 0.18 0.00 -0.05 0.00 0.00 57.45 57.60 2cri n PHE 29 Cb 0.54 0.00 1.00 0.00 -0.94 0.00 0.00 39.48 40.08 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 2.56 0.29 -3.60 4.37 1.03 -1.97 -3.27 112.91 112.31 2cri h THR 30 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 66.15 2cri h THR 30 Cb 0.55 0.94 -0.06 0.00 -1.07 0.00 0.00 68.15 68.51 2cri h THR 30 CO 0.00 0.00 -0.23 -0.67 -0.01 0.00 0.00 175.52 174.61 2cri n ASP 31 N -3.49 0.23 -4.70 0.00 2.03 -1.26 -4.86 116.55 104.50 2cri n ASP 31 Ca -0.02 -2.07 -0.42 0.00 0.52 0.00 0.00 54.79 52.80 2cri n ASP 31 Cb 0.15 0.69 -0.03 0.00 -0.72 0.00 0.00 41.12 41.21 2cri n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2cri s VAL 32 N -2.51 4.44 0.19 5.18 0.11 -1.26 -3.55 120.40 122.99 2cri s VAL 32 Ca 0.16 1.75 0.04 0.00 -2.93 0.00 0.00 61.98 60.99 2cri s VAL 32 Cb 0.01 -4.12 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 2cri s VAL 32 CO 0.11 0.09 0.31 -0.69 -3.33 0.00 0.00 175.10 171.59 2cri s VAL 33 N 1.43 5.27 -0.32 2.04 1.01 0.12 -4.93 120.40 125.02 2cri s VAL 33 Ca 0.55 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2cri s VAL 33 Cb -0.24 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.44 2cri s VAL 33 CO 0.26 -0.19 0.02 -0.89 0.00 0.00 0.00 175.10 174.30 2cri s THR 34 N -1.84 2.65 -0.15 3.92 2.01 -1.26 -0.70 115.64 120.27 2cri s THR 34 Ca 0.34 -1.80 -0.02 0.00 0.31 0.00 0.00 61.69 60.51 2cri s THR 34 Cb -0.10 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 2cri s THR 34 CO 0.29 -0.31 -0.07 -0.89 -0.69 0.00 0.00 174.62 172.95 2cri s THR 35 N 1.11 3.58 -0.26 -0.82 2.01 -0.56 -5.00 115.64 115.70 2cri s THR 35 Ca 0.00 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.44 2cri s THR 35 Cb -0.20 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2cri s THR 35 CO -0.04 0.50 0.13 0.54 -0.69 0.00 0.00 174.62 175.05 2cri s ASN 36 N 0.42 5.57 -0.46 3.53 4.22 -1.26 0.13 114.94 127.10 2cri s ASN 36 Ca -0.06 -0.10 -0.12 0.00 -2.14 0.00 0.00 52.86 50.43 2cri s ASN 36 Cb -0.15 -2.02 0.08 0.00 1.28 0.00 0.00 41.25 40.45 2cri s ASN 36 CO 0.04 -0.03 0.34 -0.22 -2.04 0.00 0.00 177.10 175.18 2cri s LEU 37 N 1.64 5.48 0.35 3.54 0.20 -0.20 -4.81 118.68 124.88 2cri s LEU 37 Ca 0.07 -1.50 -0.25 0.00 0.69 0.00 0.00 54.13 53.14 2cri s LEU 37 Cb -0.15 -2.09 -0.10 0.00 -0.43 0.00 0.00 46.19 43.42 2cri s LEU 37 CO 0.07 -0.62 0.96 -0.54 -0.29 0.00 0.00 176.35 175.93 2cri s LYS 38 N 1.52 4.46 -0.25 1.98 1.02 0.20 -0.96 119.74 127.72 2cri s LYS 38 Ca 0.04 1.32 -0.01 0.00 0.02 0.00 0.00 55.97 57.34 2cri s LYS 38 Cb -0.24 -2.66 0.08 0.00 -0.52 0.00 0.00 37.83 34.48 2cri s LYS 38 CO 0.04 0.17 0.04 -0.51 -0.92 0.00 0.00 175.35 174.16 2cri s LEU 39 N -2.33 2.01 0.28 3.17 1.43 0.33 0.13 118.68 123.70 2cri s LEU 39 Ca 0.53 -1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 2cri s LEU 39 Cb -0.17 -0.87 -0.08 0.00 0.03 0.00 0.00 46.19 45.10 2cri s LEU 39 CO 0.23 -0.33 0.68 -1.58 0.23 0.00 0.00 176.35 175.57 2cri s GLN 40 N 1.63 3.99 -0.34 1.70 0.74 0.16 -1.84 119.66 125.69 2cri s GLN 40 Ca 0.02 0.59 0.01 0.00 0.05 0.00 0.00 55.36 56.04 2cri s GLN 40 Cb -0.18 -2.57 0.10 0.00 1.10 0.00 0.00 33.01 31.46 2cri s GLN 40 CO -0.14 0.25 0.10 1.21 -0.55 0.00 0.00 175.29 176.16 2cri s ASN 41 N -2.17 4.29 0.54 6.67 2.47 -0.85 -0.24 114.94 125.65 2cri s ASN 41 Ca 0.50 -1.97 0.32 0.00 0.42 0.00 0.00 52.86 52.14 2cri s ASN 41 Cb -0.12 -1.19 1.35 0.00 -1.45 0.00 0.00 41.25 39.84 2cri s ASN 41 CO 0.19 -0.38 1.98 1.55 -3.72 0.00 0.00 177.10 176.72 2cri h PRO 42 N 7.74 0.00 -7.33 0.43 0.13 -1.90 -1.78 132.00 129.29 2cri h PRO 42 Ca -0.09 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.54 2cri h PRO 42 Cb 1.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.27 2cri h PRO 42 CO 0.50 0.04 0.30 -1.54 -0.23 0.00 0.00 178.00 177.06 2cri s SER 43 N -5.76 4.15 -0.34 1.44 1.04 -1.26 -4.77 113.70 108.19 2cri s SER 43 Ca 0.01 1.67 0.09 0.00 0.48 0.00 0.00 55.95 58.19 2cri s SER 43 Cb 0.09 -2.37 0.70 0.00 0.10 0.00 0.00 66.02 64.55 2cri s SER 43 CO 0.55 -2.24 1.79 0.47 0.98 0.00 0.00 173.24 174.80 2cri n ASP 44 N -3.64 4.38 -3.88 7.02 8.00 -1.26 -2.04 116.55 125.13 2cri n ASP 44 Ca 0.08 -3.35 -0.09 0.00 0.71 0.00 0.00 54.79 52.14 2cri n ASP 44 Cb 0.54 -0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cri s ARG 45 N -3.08 0.75 0.79 -1.24 1.70 -1.26 -4.84 118.95 111.76 2cri s ARG 45 Ca 0.54 -0.85 -0.14 0.00 -0.47 0.00 0.00 55.73 54.82 2cri s ARG 45 Cb 0.44 0.30 0.07 0.00 -0.57 0.00 0.00 34.95 35.20 2cri s ARG 45 CO 0.12 -0.22 1.20 0.15 -1.08 0.00 0.00 175.30 175.47 2cri s LYS 46 N -3.31 1.77 -0.16 3.89 1.02 -1.26 -4.18 119.74 117.51 2cri s LYS 46 Ca 0.01 1.74 -0.07 0.00 0.02 0.00 0.00 55.97 57.67 2cri s LYS 46 Cb 0.03 -1.79 0.07 0.00 -0.52 0.00 0.00 37.83 35.61 2cri s LYS 46 CO -0.08 -2.11 0.36 0.08 -0.92 0.00 0.00 175.35 172.68 2cri s VAL 47 N -2.13 -0.27 0.23 3.17 1.01 -1.17 -2.34 120.40 118.89 2cri s VAL 47 Ca 0.73 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 2cri s VAL 47 Cb -0.28 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 2cri s VAL 47 CO 0.49 0.07 0.94 0.00 0.00 0.00 0.00 175.10 176.60 2cri s PHE 49 N -1.08 0.23 -0.12 0.00 -0.12 -0.29 -0.95 117.98 115.65 2cri s PHE 49 Ca 0.41 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.27 2cri s PHE 49 Cb -0.26 -0.20 0.02 0.00 -0.63 0.00 0.00 43.02 41.96 2cri s PHE 49 CO 0.32 -0.03 -0.11 0.15 -0.05 0.00 0.00 175.22 175.50 2cri s LYS 50 N 0.18 1.86 -0.04 1.99 1.02 -0.24 -2.25 119.74 122.25 2cri s LYS 50 Ca -0.01 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 2cri s LYS 50 Cb -0.04 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.49 2cri s LYS 50 CO -0.00 -0.20 1.08 0.08 -0.92 0.00 0.00 175.35 175.39 2cri s VAL 51 N 1.42 4.57 -0.14 3.17 1.01 -1.10 -2.52 120.40 126.82 2cri s VAL 51 Ca 0.01 1.85 -0.05 0.00 0.00 0.00 0.00 61.98 63.79 2cri s VAL 51 Cb -0.13 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.12 2cri s VAL 51 CO -0.07 0.06 0.27 -0.54 0.00 0.00 0.00 175.10 174.82 2cri s LYS 52 N 1.68 0.16 0.19 2.72 1.02 -1.14 -4.95 119.74 119.42 2cri s LYS 52 Ca 0.53 0.74 0.00 0.00 0.02 0.00 0.00 55.97 57.27 2cri s LYS 52 Cb -0.22 -0.06 -0.05 0.00 -0.52 0.00 0.00 37.83 36.99 2cri s LYS 52 CO 0.23 -0.30 0.07 -0.08 -0.92 0.00 0.00 175.35 174.35 2cri s THR 53 N 2.43 0.39 -0.38 2.17 -1.32 -1.26 -2.68 115.64 114.99 2cri s THR 53 Ca 0.01 -1.97 0.21 0.00 -1.21 0.00 0.00 61.69 58.73 2cri s THR 53 Cb -0.12 -2.33 0.21 0.00 -1.51 0.00 0.00 72.50 68.75 2cri s THR 53 CO -0.09 -0.24 1.63 0.35 -2.21 0.00 0.00 174.62 174.06 2cri n THR 54 N -0.28 1.02 -3.77 5.08 -2.24 -1.25 -3.69 114.28 109.15 2cri n THR 54 Ca -0.03 0.52 -0.32 0.00 -2.27 0.00 0.00 64.05 61.96 2cri n THR 54 Cb 0.65 -1.49 -0.09 0.00 -2.10 0.00 0.00 70.33 67.30 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 -3.41 4.05 0.08 6.98 0.00 -1.26 -4.91 121.76 123.28 2cri s ALA 55 Ca 0.00 -3.86 -0.17 0.00 0.00 0.00 0.00 51.96 47.94 2cri s ALA 55 Cb 0.07 -2.49 -0.11 0.00 0.00 0.00 0.00 23.12 20.59 2cri s ALA 55 CO 0.26 -2.12 1.39 -1.00 0.00 0.00 0.00 175.76 174.29 2cri h PRO 56 N 5.67 0.57 0.00 0.00 0.13 -1.86 -3.09 132.00 133.41 2cri h PRO 56 Ca 0.16 -0.30 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 2cri h PRO 56 Cb 0.78 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 2cri h PRO 56 CO 0.79 0.89 -0.52 0.00 -0.23 0.00 0.00 178.00 178.93 2cri h ARG 57 N 0.27 0.00 -1.14 0.86 3.08 -1.94 -3.37 114.38 112.14 2cri h ARG 57 Ca 0.04 0.00 0.43 0.00 0.07 0.00 0.00 59.98 60.51 2cri h ARG 57 Cb 0.79 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.69 2cri h ARG 57 CO 0.06 0.16 0.69 -2.13 -1.07 0.00 0.00 179.97 177.67 2cri n ARG 58 N -4.62 -0.04 -4.06 0.04 0.63 -1.26 -4.28 116.66 103.07 2cri n ARG 58 Ca -0.09 1.24 -0.28 0.00 -0.92 0.00 0.00 57.85 57.79 2cri n ARG 58 Cb 0.29 -2.33 -0.06 0.00 0.45 0.00 0.00 32.46 30.81 2cri n ARG 58 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2cri s TYR 59 N -5.28 3.18 -0.43 -0.14 1.51 -1.17 -3.41 117.35 111.61 2cri s TYR 59 Ca -0.08 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 2cri s TYR 59 Cb 0.30 -1.56 0.13 0.00 -0.11 0.00 0.00 41.96 40.72 2cri s TYR 59 CO 0.75 0.52 0.21 0.00 -1.11 0.00 0.00 175.55 175.93 2cri s VAL 61 N 0.42 5.16 -0.12 0.00 1.01 -1.26 -1.26 120.40 124.35 2cri s VAL 61 Ca 0.16 1.00 -0.05 0.00 0.00 0.00 0.00 61.98 63.09 2cri s VAL 61 Cb -0.24 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.36 2cri s VAL 61 CO -0.03 0.29 0.26 -0.13 0.00 0.00 0.00 175.10 175.49 2cri s ARG 62 N 0.87 0.17 0.69 2.72 0.52 0.14 -3.13 118.95 120.93 2cri s ARG 62 Ca 0.27 0.69 -0.14 0.00 -0.52 0.00 0.00 55.73 56.03 2cri s ARG 62 Cb -0.15 -0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.28 2cri s ARG 62 CO 0.11 -0.25 1.11 -1.25 0.02 0.00 0.00 175.30 175.03 2cri s PRO 63 N 2.08 2.66 0.26 3.54 0.04 -1.26 -0.74 135.00 141.58 2cri s PRO 63 Ca -0.02 1.34 0.26 0.00 0.04 0.00 0.00 61.00 62.61 2cri s PRO 63 Cb -0.11 -1.94 0.79 0.00 0.04 0.00 0.00 34.50 33.28 2cri s PRO 63 CO -0.09 -1.35 1.75 -2.95 0.04 0.00 0.00 177.00 174.41 2cri h ASN 64 N -0.26 0.00 -4.85 6.66 -1.07 -1.95 -3.46 115.58 110.65 2cri h ASN 64 Ca -0.46 0.00 0.22 0.00 0.07 0.00 0.00 56.30 56.13 2cri h ASN 64 Cb 1.24 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 37.34 2cri h ASN 64 CO 0.53 0.00 0.69 -0.94 0.07 0.00 0.00 177.43 177.78 2cri s SER 65 N -4.78 -0.18 0.00 6.14 1.04 -1.26 -2.72 113.70 111.94 2cri s SER 65 Ca 0.09 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2cri s SER 65 Cb 0.11 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2cri s SER 65 CO 0.58 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2cri n GLY 66 N -0.28 -0.50 3.15 7.32 0.00 -0.95 -5.05 105.19 108.88 2cri n GLY 66 Ca -0.05 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.01 1.18 -0.22 -0.61 1.01 -1.26 -1.14 121.20 117.16 2cri s ILE 67 Ca 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 2cri s ILE 67 Cb 0.00 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 2cri s ILE 67 CO 0.00 0.07 0.02 -0.63 0.00 0.00 0.00 174.94 174.39 2cri s ILE 68 N -0.78 4.02 0.85 2.92 1.01 -0.84 -4.95 121.20 123.43 2cri s ILE 68 Ca 0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 2cri s ILE 68 Cb -0.08 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.57 2cri s ILE 68 CO 0.01 0.40 0.53 0.47 0.00 0.00 0.00 174.94 176.36 2cri n ASP 69 N 4.47 -1.44 -4.67 3.58 8.00 -1.26 -3.06 116.55 122.16 2cri n ASP 69 Ca -0.17 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.36 2cri n ASP 69 Cb 0.52 -1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 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 -3.35 4.22 -0.64 -0.24 0.04 -1.26 -3.05 135.00 130.71 2cri s PRO 70 Ca 0.62 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.63 2cri s PRO 70 Cb -0.27 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2cri s PRO 70 CO 0.62 -0.74 0.54 0.41 0.04 0.00 0.00 177.00 177.88 2cri n GLY 71 N 3.87 0.24 3.17 0.56 0.00 -0.67 -4.86 105.19 107.51 2cri n GLY 71 Ca 0.15 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.13 0.51 -0.08 1.61 0.01 -1.17 -4.94 113.70 106.51 2cri s SER 72 Ca 0.27 -1.19 0.05 0.00 1.31 0.00 0.00 55.95 56.38 2cri s SER 72 Cb -0.12 0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 2cri s SER 72 CO 0.33 -0.69 -0.24 -0.63 0.41 0.00 0.00 173.24 172.43 2cri s ILE 73 N -3.96 2.15 -0.15 1.44 1.01 -1.26 -2.00 121.20 118.43 2cri s ILE 73 Ca 0.23 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 2cri s ILE 73 Cb 0.07 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 2cri s ILE 73 CO 0.02 0.56 -0.12 -0.69 0.00 0.00 0.00 174.94 174.71 2cri s VAL 74 N 0.07 3.06 -0.43 2.92 1.01 -0.77 -4.90 120.40 121.36 2cri s VAL 74 Ca -0.10 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 2cri s VAL 74 Cb -0.16 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2cri s VAL 74 CO 0.06 0.51 0.56 -0.89 0.00 0.00 0.00 175.10 175.33 2cri s THR 75 N 0.59 4.94 0.20 3.92 2.01 -1.26 -0.52 115.64 125.52 2cri s THR 75 Ca -0.07 -0.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.66 2cri s THR 75 Cb -0.15 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 2cri s THR 75 CO 0.03 -0.53 0.66 -0.69 -0.69 0.00 0.00 174.62 173.40 2cri s VAL 76 N 2.53 4.68 -0.50 3.82 1.01 -0.14 -4.89 120.40 126.91 2cri s VAL 76 Ca 0.18 1.09 -0.16 0.00 0.00 0.00 0.00 61.98 63.09 2cri s VAL 76 Cb -0.15 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.53 2cri s VAL 76 CO 0.17 0.19 0.45 -0.44 0.00 0.00 0.00 175.10 175.46 2cri s SER 77 N -1.73 6.17 -0.69 3.32 0.01 0.08 -1.03 113.70 119.83 2cri s SER 77 Ca 0.42 -1.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.05 2cri s SER 77 Cb -0.16 -2.20 0.18 0.00 0.21 0.00 0.00 66.02 64.06 2cri s SER 77 CO 0.20 -0.75 0.58 -0.69 0.41 0.00 0.00 173.24 172.99 2cri s VAL 78 N 1.63 4.66 -0.44 3.43 1.01 0.12 -0.68 120.40 130.13 2cri s VAL 78 Ca 0.04 -2.57 -0.27 0.00 0.00 0.00 0.00 61.98 59.18 2cri s VAL 78 Cb -0.27 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2cri s VAL 78 CO 0.05 -0.93 1.04 -0.04 0.00 0.00 0.00 175.10 175.21 2cri s MET 79 N 0.25 3.72 -0.40 2.72 -1.94 -0.39 -1.49 119.30 121.76 2cri s MET 79 Ca 0.16 0.49 -0.19 0.00 -1.71 0.00 0.00 55.69 54.44 2cri s MET 79 Cb -0.17 -3.88 0.01 0.00 2.01 0.00 0.00 34.83 32.81 2cri s MET 79 CO -0.05 -1.22 0.53 -1.17 -0.01 0.00 0.00 175.02 173.09 2cri s LEU 80 N 4.02 4.57 0.72 -0.03 1.98 0.12 -1.59 118.68 128.47 2cri s LEU 80 Ca 0.43 -0.35 -0.14 0.00 -2.89 0.00 0.00 54.13 51.18 2cri s LEU 80 Cb -0.09 -2.56 0.04 0.00 0.66 0.00 0.00 46.19 44.23 2cri s LEU 80 CO 0.27 -0.61 1.14 -1.10 -1.89 0.00 0.00 176.35 174.16 2cri s GLN 81 N 2.45 2.32 0.20 1.98 -1.52 -1.22 0.14 119.66 124.00 2cri s GLN 81 Ca 0.18 1.50 -0.30 0.00 -1.95 0.00 0.00 55.36 54.79 2cri s GLN 81 Cb -0.16 -1.88 -0.09 0.00 -0.22 0.00 0.00 33.01 30.67 2cri s GLN 81 CO 0.15 -1.64 1.30 -1.25 -0.25 0.00 0.00 175.29 173.60 2cri s PRO 82 N -4.20 4.39 -0.30 2.91 0.04 -1.23 -4.78 135.00 131.83 2cri s PRO 82 Ca 0.69 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.67 2cri s PRO 82 Cb -0.23 -3.20 0.14 0.00 0.04 0.00 0.00 34.50 31.25 2cri s PRO 82 CO 0.46 -0.24 0.70 -0.59 0.04 0.00 0.00 177.00 177.37 2cri s PHE 83 N 0.09 -1.25 -0.91 0.56 -0.71 -1.23 -4.97 117.98 109.55 2cri s PHE 83 Ca 0.56 2.09 -0.23 0.00 -1.04 0.00 0.00 56.93 58.31 2cri s PHE 83 Cb -0.36 0.72 -0.20 0.00 -1.21 0.00 0.00 43.02 41.97 2cri s PHE 83 CO 0.38 -0.63 2.01 -0.40 -1.34 0.00 0.00 175.22 175.24 2cri n ASP 84 N 5.37 0.89 -4.70 1.98 5.75 -1.26 -4.86 116.55 119.71 2cri n ASP 84 Ca -0.11 -2.21 -0.42 0.00 -0.01 0.00 0.00 54.79 52.04 2cri n ASP 84 Cb 0.50 -1.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.00 2cri n ASP 84 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2cri s TYR 85 N 14.69 2.99 -0.35 2.11 -0.85 -1.26 -4.99 117.35 129.69 2cri s TYR 85 Ca 0.73 0.80 -0.01 0.00 -0.52 0.00 0.00 57.07 58.08 2cri s TYR 85 Cb -0.07 -3.73 0.09 0.00 0.38 0.00 0.00 41.96 38.63 2cri s TYR 85 CO 0.16 -2.66 0.09 -0.51 -1.52 0.00 0.00 175.55 171.11 2cri s ASP 86 N 1.55 4.99 0.43 -0.18 1.01 -1.26 -4.96 116.67 118.25 2cri s ASP 86 Ca 0.66 -1.77 0.22 0.00 0.71 0.00 0.00 52.55 52.37 2cri s ASP 86 Cb -0.36 -1.73 0.94 0.00 1.01 0.00 0.00 42.92 42.78 2cri s ASP 86 CO 0.29 -0.40 1.85 1.55 0.21 0.00 0.00 175.17 178.68 2cri h PRO 87 N 7.93 0.00 0.00 8.23 0.13 -1.95 0.17 132.00 146.50 2cri h PRO 87 Ca -0.14 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.72 2cri h PRO 87 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 2cri h PRO 87 CO 0.59 0.27 -1.67 0.09 -0.23 0.00 0.00 178.00 177.05 2cri n ASN 88 N -3.57 0.84 0.12 1.44 3.02 -1.26 -4.05 115.26 111.81 2cri n ASN 88 Ca -0.01 0.40 0.05 0.00 -0.03 0.00 0.00 54.58 54.99 2cri n ASN 88 Cb 0.41 0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.61 2cri n ASN 88 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2cri h GLU 89 N 0.00 0.00 -1.39 3.52 4.57 -1.95 -3.47 114.58 115.86 2cri h GLU 89 Ca -0.27 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.02 2cri h GLU 89 Cb 1.94 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 30.24 2cri h GLU 89 CO 0.07 0.26 0.61 -1.59 -1.18 0.00 0.00 179.01 177.18 2cri s LYS 90 N -3.07 0.33 -0.61 1.92 -2.85 0.04 -5.06 119.74 110.43 2cri s LYS 90 Ca 0.02 0.40 0.05 0.00 -1.00 0.00 0.00 55.97 55.44 2cri s LYS 90 Cb 0.08 0.15 0.17 0.00 -2.06 0.00 0.00 37.83 36.17 2cri s LYS 90 CO 0.76 -0.04 0.45 0.43 0.10 0.00 0.00 175.35 177.05 2cri n SER 91 N 2.07 1.89 -3.69 0.03 7.64 -1.26 -3.78 113.62 116.52 2cri n SER 91 Ca -0.12 -2.94 -0.28 0.00 1.01 0.00 0.00 58.87 56.53 2cri n SER 91 Cb 0.56 -0.69 -0.16 0.00 -1.01 0.00 0.00 64.21 62.91 2cri n SER 91 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cri s LYS 92 N -0.99 0.53 -0.28 1.43 -0.14 -1.26 -5.10 119.74 113.92 2cri s LYS 92 Ca 0.28 -0.59 -0.16 0.00 -1.36 0.00 0.00 55.97 54.15 2cri s LYS 92 Cb -0.01 -1.88 0.10 0.00 -1.68 0.00 0.00 37.83 34.36 2cri s LYS 92 CO -0.18 -0.81 0.76 -3.38 -0.76 0.00 0.00 175.35 170.99 2cri s HIS 93 N 1.86 -0.96 0.16 3.18 -3.43 -1.26 -5.11 115.29 109.73 2cri s HIS 93 Ca 0.04 1.90 -0.22 0.00 -0.80 0.00 0.00 55.06 55.98 2cri s HIS 93 Cb -0.17 0.58 0.06 0.00 -1.43 0.00 0.00 32.58 31.62 2cri s HIS 93 CO -0.18 -0.48 0.57 0.21 -2.00 0.00 0.00 174.74 172.86 2cri s LYS 94 N 1.67 1.27 -0.08 -0.38 2.20 -1.26 -4.60 119.74 118.56 2cri s LYS 94 Ca -0.09 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 54.94 2cri s LYS 94 Cb -0.05 0.57 0.05 0.00 -1.51 0.00 0.00 37.83 36.88 2cri s LYS 94 CO -0.19 -0.55 0.16 0.12 -0.36 0.00 0.00 175.35 174.53 2cri s PHE 95 N -3.77 -0.17 0.10 4.03 2.19 0.62 -3.97 117.98 117.00 2cri s PHE 95 Ca 0.02 0.59 0.10 0.00 0.33 0.00 0.00 56.93 57.97 2cri s PHE 95 Cb -0.01 -0.25 -0.04 0.00 -1.31 0.00 0.00 43.02 41.42 2cri s PHE 95 CO -0.12 -0.26 -0.24 -1.64 1.83 0.00 0.00 175.22 174.79 2cri s MET 96 N 2.18 1.65 -0.04 10.12 -1.94 -1.09 -0.02 119.30 130.16 2cri s MET 96 Ca 0.02 -1.22 0.02 0.00 -1.71 0.00 0.00 55.69 52.80 2cri s MET 96 Cb -0.12 -1.99 0.02 0.00 2.01 0.00 0.00 34.83 34.74 2cri s MET 96 CO -0.06 0.48 -0.07 0.08 -0.01 0.00 0.00 175.02 175.45 2cri s VAL 97 N -1.00 0.67 -0.22 -6.03 1.01 -0.91 -2.88 120.40 111.05 2cri s VAL 97 Ca 0.14 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 2cri s VAL 97 Cb -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2cri s VAL 97 CO 0.06 0.24 0.09 -1.58 0.00 0.00 0.00 175.10 173.91 2cri s GLN 98 N 0.68 3.89 0.03 2.72 0.74 -1.05 -0.60 119.66 126.07 2cri s GLN 98 Ca -0.10 -0.37 0.05 0.00 0.05 0.00 0.00 55.36 54.99 2cri s GLN 98 Cb -0.13 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.63 2cri s GLN 98 CO 0.01 0.07 -0.16 0.95 -0.55 0.00 0.00 175.29 175.61 2cri s THR 99 N 0.96 1.25 -0.27 -0.34 -4.23 0.83 -1.08 115.64 112.76 2cri s THR 99 Ca 0.05 -0.96 -0.24 0.00 -1.18 0.00 0.00 61.69 59.35 2cri s THR 99 Cb -0.14 -1.10 0.07 0.00 1.34 0.00 0.00 72.50 72.67 2cri s THR 99 CO 0.03 0.12 0.71 -0.51 -0.54 0.00 0.00 174.62 174.43 2cri s ILE 100 N -0.73 -0.00 0.48 2.99 2.07 -0.13 -1.68 121.20 124.20 2cri s ILE 100 Ca 0.04 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.05 2cri s ILE 100 Cb -0.08 -0.98 -0.09 0.00 0.13 0.00 0.00 42.46 41.44 2cri s ILE 100 CO 0.01 0.00 0.95 0.49 -1.91 0.00 0.00 174.94 174.48 2cri n PHE 101 N 2.74 0.90 -4.29 3.50 3.72 -1.26 -0.13 117.46 122.64 2cri n PHE 101 Ca -0.14 0.52 -0.34 0.00 -0.05 0.00 0.00 57.45 57.43 2cri n PHE 101 Cb 0.55 -2.18 -0.11 0.00 -0.94 0.00 0.00 39.48 36.81 2cri n PHE 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cri s ALA 102 N -1.38 3.20 0.74 4.37 0.00 -0.99 -4.58 121.76 123.13 2cri s ALA 102 Ca 0.66 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 2cri s ALA 102 Cb -0.51 -1.62 0.04 0.00 0.00 0.00 0.00 23.12 21.02 2cri s ALA 102 CO 0.54 0.34 1.10 -1.25 0.00 0.00 0.00 175.76 176.49 2cri s PRO 103 N -0.08 2.43 0.23 0.00 0.04 -1.26 -4.70 135.00 131.66 2cri s PRO 103 Ca 0.04 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.32 2cri s PRO 103 Cb -0.13 -1.91 0.23 0.00 0.04 0.00 0.00 34.50 32.73 2cri s PRO 103 CO 0.02 -1.52 1.59 -1.00 0.04 0.00 0.00 177.00 176.13 2cri h PRO 104 N -0.74 0.51 -0.83 0.56 0.13 -1.99 -2.94 132.00 126.69 2cri h PRO 104 Ca -0.45 -0.27 -0.21 0.00 -0.87 0.00 0.00 66.00 64.21 2cri h PRO 104 Cb 1.24 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 2cri h PRO 104 CO 0.52 0.85 0.26 0.09 -0.23 0.00 0.00 178.00 179.49 2cri n ASN 105 N -4.01 4.19 -4.52 1.44 4.13 -1.26 -4.94 115.26 110.29 2cri n ASN 105 Ca -0.02 -3.01 -0.40 0.00 1.68 0.00 0.00 54.58 52.83 2cri n ASN 105 Cb 0.53 -0.71 -0.08 0.00 -1.54 0.00 0.00 39.78 37.98 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cri n ILE 106 N -0.16 -0.02 -0.05 2.41 3.06 -1.11 -4.78 119.36 118.72 2cri n ILE 106 Ca 0.35 -0.43 -0.04 0.00 -2.50 0.00 0.00 62.75 60.13 2cri n ILE 106 Cb 1.23 -1.79 -0.01 0.00 0.54 0.00 0.00 39.64 39.61 2cri n ILE 106 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2cri n SER 107 N 13.07 1.07 -4.66 9.51 7.64 -1.26 -4.93 113.62 134.05 2cri n SER 107 Ca 0.48 0.32 -0.36 0.00 1.01 0.00 0.00 58.87 60.32 2cri n SER 107 Cb 0.31 -0.67 -0.09 0.00 -1.01 0.00 0.00 64.21 62.74 2cri n SER 107 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cri s ASP 108 N -4.94 6.02 0.18 6.43 1.01 -1.26 -4.98 116.67 119.12 2cri s ASP 108 Ca -0.13 0.11 -0.08 0.00 0.71 0.00 0.00 52.55 53.16 2cri s ASP 108 Cb 0.02 -2.08 0.07 0.00 1.01 0.00 0.00 42.92 41.94 2cri s ASP 108 CO 0.19 0.09 1.56 -0.03 0.21 0.00 0.00 175.17 177.19 2cri h MET 109 N 7.34 0.89 -0.13 8.23 4.05 -2.01 -2.75 114.93 130.56 2cri h MET 109 Ca -0.38 -0.40 -0.12 0.00 -0.28 0.00 0.00 59.70 58.52 2cri h MET 109 Cb 1.17 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 2cri h MET 109 CO 0.67 1.05 -0.45 1.05 0.23 0.00 0.00 176.91 179.46 2cri h GLU 110 N 0.76 0.32 -0.54 0.39 4.11 -1.99 -2.87 114.58 114.75 2cri h GLU 110 Ca 0.09 -0.17 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 2cri h GLU 110 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2cri h GLU 110 CO 0.07 0.71 0.11 0.00 0.07 0.00 0.00 179.01 179.97 2cri h ALA 111 N 1.27 0.72 0.17 1.06 0.00 -1.94 -1.76 119.26 118.78 2cri h ALA 111 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2cri h ALA 111 Cb 0.89 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2cri h ALA 111 CO 0.07 0.44 -0.08 0.28 0.00 0.00 0.00 179.25 179.96 2cri h VAL 112 N 0.78 0.89 0.00 0.00 2.07 -1.40 -0.21 116.25 118.38 2cri h VAL 112 Ca 0.17 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2cri h VAL 112 Cb 0.37 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2cri h VAL 112 CO 0.01 0.07 -0.01 -0.50 0.02 0.00 0.00 177.57 177.15 2cri h TRP 113 N -0.37 0.00 0.11 1.57 4.06 -1.48 0.18 115.95 120.03 2cri h TRP 113 Ca -0.02 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 2cri h TRP 113 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 2cri h TRP 113 CO -0.03 0.01 -0.05 0.87 -3.56 0.00 0.00 178.44 175.69 2cri h LYS 114 N 0.00 -0.14 -0.60 0.49 1.57 -0.89 -3.33 116.57 113.67 2cri h LYS 114 Ca -0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2cri h LYS 114 Cb 0.03 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2cri h LYS 114 CO 0.00 0.23 0.25 0.93 -0.57 0.00 0.00 179.45 180.29 2cri h GLU 115 N -0.97 0.86 -6.22 3.15 5.08 -0.84 -3.42 114.58 112.22 2cri h GLU 115 Ca -0.01 -0.13 -0.65 0.00 -1.00 0.00 0.00 59.36 57.57 2cri h GLU 115 Cb 0.43 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2cri h GLU 115 CO 0.02 0.69 1.07 0.00 -1.00 0.00 0.00 179.01 179.80 2cri n ALA 116 N -2.45 0.61 -2.18 3.43 0.00 0.63 -4.95 120.51 115.61 2cri n ALA 116 Ca 0.05 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 2cri n ALA 116 Cb 0.15 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.14 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 4.09 3.74 0.00 0.00 -0.14 -1.26 -4.94 119.74 121.23 2cri s LYS 117 Ca 0.95 0.45 0.15 0.00 -1.36 0.00 0.00 55.97 56.16 2cri s LYS 117 Cb -0.80 -2.37 0.71 0.00 -1.68 0.00 0.00 37.83 33.69 2cri s LYS 117 CO 0.55 -0.09 1.42 -0.35 -0.76 0.00 0.00 175.35 176.12 2cri n PRO 118 N -1.50 0.16 0.07 -1.68 -0.04 -1.26 -1.98 135.00 128.76 2cri n PRO 118 Ca 0.02 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2cri n PRO 118 Cb 0.54 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.61 2cri n PRO 118 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2cri h ASP 119 N 0.00 0.00 -0.00 3.54 3.32 -2.01 -3.34 116.42 117.93 2cri h ASP 119 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2cri h ASP 119 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2cri h ASP 119 CO 0.00 0.09 -0.29 -0.62 -1.72 0.00 0.00 179.24 176.70 2cri n GLU 120 N -2.23 4.89 -2.87 3.56 -0.58 -0.86 -5.00 120.64 117.55 2cri n GLU 120 Ca 0.02 -0.01 -0.40 0.00 -0.42 0.00 0.00 57.16 56.36 2cri n GLU 120 Cb 0.46 -0.80 -0.05 0.00 -0.57 0.00 0.00 31.44 30.48 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 -2.28 4.56 -0.22 -4.62 1.43 -0.84 -4.92 118.68 111.79 2cri s LEU 121 Ca 0.02 1.71 -0.04 0.00 -1.03 0.00 0.00 54.13 54.80 2cri s LEU 121 Cb 0.05 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 2cri s LEU 121 CO 0.26 0.09 -0.02 -0.04 0.23 0.00 0.00 176.35 176.87 2cri s MET 122 N -0.67 3.43 0.43 1.70 -1.94 -0.68 -4.95 119.30 116.63 2cri s MET 122 Ca 0.40 -0.60 0.08 0.00 -1.71 0.00 0.00 55.69 53.86 2cri s MET 122 Cb -0.23 -3.06 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 2cri s MET 122 CO 0.28 -0.18 0.43 0.34 -0.01 0.00 0.00 175.02 175.88 2cri s ASP 123 N 1.46 5.11 -0.04 3.03 -1.08 -1.26 -0.12 116.67 123.76 2cri s ASP 123 Ca 0.05 -0.74 -0.02 0.00 -0.52 0.00 0.00 52.55 51.32 2cri s ASP 123 Cb -0.14 -0.47 0.03 0.00 -1.46 0.00 0.00 42.92 40.88 2cri s ASP 123 CO -0.02 -0.73 0.06 -0.44 0.52 0.00 0.00 175.17 174.56 2cri s SER 124 N -4.20 1.10 -0.41 -0.34 0.01 0.23 -4.21 113.70 105.90 2cri s SER 124 Ca 0.49 0.09 -0.25 0.00 1.31 0.00 0.00 55.95 57.59 2cri s SER 124 Cb -0.04 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.09 2cri s SER 124 CO 0.29 -0.25 0.88 -0.75 0.41 0.00 0.00 173.24 173.82 2cri s LYS 125 N 2.15 3.67 0.03 12.44 2.20 -1.26 -2.13 119.74 136.84 2cri s LYS 125 Ca 0.05 0.30 0.08 0.00 -0.36 0.00 0.00 55.97 56.04 2cri s LYS 125 Cb -0.12 -3.86 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 2cri s LYS 125 CO -0.03 -1.04 -0.24 -1.17 -0.36 0.00 0.00 175.35 172.50 2cri s LEU 126 N 3.48 2.14 -0.36 5.43 0.20 0.98 -5.01 118.68 125.54 2cri s LEU 126 Ca 0.35 -0.53 -0.05 0.00 0.69 0.00 0.00 54.13 54.59 2cri s LEU 126 Cb -0.12 -1.19 0.07 0.00 -0.43 0.00 0.00 46.19 44.52 2cri s LEU 126 CO 0.21 0.24 0.13 -0.60 -0.29 0.00 0.00 176.35 176.04 2cri s ARG 127 N -1.06 2.42 -0.19 1.98 3.52 -1.26 -0.28 118.95 124.09 2cri s ARG 127 Ca 0.10 -1.40 -0.29 0.00 -0.13 0.00 0.00 55.73 54.00 2cri s ARG 127 Cb -0.09 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 2cri s ARG 127 CO 0.01 -0.80 1.59 0.00 -0.81 0.00 0.00 175.30 175.29 2cri s VAL 129 N 4.84 5.32 -0.42 0.00 1.01 0.62 -4.79 120.40 126.97 2cri s VAL 129 Ca 0.70 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 2cri s VAL 129 Cb -0.26 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2cri s VAL 129 CO 0.28 0.44 0.58 -0.36 0.00 0.00 0.00 175.10 176.04 2cri s PHE 130 N 0.38 3.10 0.35 5.22 0.08 -1.26 -1.46 117.98 124.39 2cri s PHE 130 Ca 0.07 -0.07 -0.03 0.00 0.12 0.00 0.00 56.93 57.02 2cri s PHE 130 Cb -0.11 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.10 2cri s PHE 130 CO -0.02 -0.78 0.61 -1.21 -0.10 0.00 0.00 175.22 173.72 2cri s GLU 131 N 2.62 3.57 0.02 0.44 0.41 0.16 -4.90 118.70 121.01 2cri s GLU 131 Ca 0.20 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 2cri s GLU 131 Cb -0.15 -2.58 -0.02 0.00 -1.78 0.00 0.00 34.13 29.60 2cri s GLU 131 CO 0.17 0.09 -0.03 -1.64 -0.49 0.00 0.00 175.26 173.36 2cri s MET 132 N -4.08 0.29 0.00 1.61 -1.94 -1.26 -2.73 119.30 111.18 2cri s MET 132 Ca 0.44 -0.55 0.14 0.00 -1.71 0.00 0.00 55.69 54.01 2cri s MET 132 Cb -0.10 0.08 0.83 0.00 2.01 0.00 0.00 34.83 37.65 2cri s MET 132 CO 0.35 -0.04 1.25 -0.35 -0.01 0.00 0.00 175.02 176.23 2cri n PRO 133 N 1.76 0.49 -1.92 2.03 -0.04 -1.26 -4.75 135.00 131.31 2cri n PRO 133 Ca -0.23 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.80 2cri n PRO 133 Cb 0.56 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 2cri n PRO 133 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2cri s ASN 134 N -1.95 5.95 -0.17 3.54 -0.87 -1.26 -4.95 114.94 115.24 2cri s ASN 134 Ca 0.21 1.60 -0.12 0.00 -1.57 0.00 0.00 52.86 52.98 2cri s ASN 134 Cb 0.10 -2.52 0.05 0.00 -0.02 0.00 0.00 41.25 38.85 2cri s ASN 134 CO 0.16 -1.61 0.42 -0.70 -2.57 0.00 0.00 177.10 172.80 2cri s GLU 135 N 5.49 0.44 0.47 -0.60 2.12 -1.26 -5.17 118.70 120.18 2cri s GLU 135 Ca 0.83 0.72 0.07 0.00 0.36 0.00 0.00 54.97 56.94 2cri s GLU 135 Cb -0.27 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.21 2cri s GLU 135 CO 0.33 -0.12 0.36 -0.80 -0.54 0.00 0.00 175.26 174.50 2cri s ASN 136 N 0.93 4.76 -0.79 -1.70 -0.87 -1.26 -4.56 114.94 111.45 2cri s ASN 136 Ca -0.06 -1.02 0.00 0.00 -1.57 0.00 0.00 52.86 50.21 2cri s ASN 136 Cb -0.06 -0.12 0.00 0.00 -0.02 0.00 0.00 41.25 41.05 2cri s ASN 136 CO -0.08 -0.84 0.00 0.47 -2.57 0.00 0.00 177.10 174.09 2cri n ASP 137 N -1.60 -2.63 -4.71 -1.22 8.00 -1.26 -4.83 116.55 108.31 2cri n ASP 137 Ca 0.01 0.25 -0.43 0.00 0.71 0.00 0.00 54.79 55.33 2cri n ASP 137 Cb 0.63 -2.43 -0.03 0.00 -0.02 0.00 0.00 41.12 39.28 2cri n ASP 137 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2cri n LYS 138 N -2.19 2.57 -2.49 -1.24 5.02 -1.26 -4.92 118.16 113.66 2cri n LYS 138 Ca -0.09 0.93 -0.43 0.00 -2.02 0.00 0.00 58.31 56.69 2cri n LYS 138 Cb 0.44 -2.74 -0.02 0.00 -0.02 0.00 0.00 35.03 32.69 2cri n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2cri s LEU 139 N 0.88 4.02 0.17 -0.35 1.43 -1.26 -4.97 118.68 118.61 2cri s LEU 139 Ca 0.75 1.38 -0.33 0.00 -1.03 0.00 0.00 54.13 54.89 2cri s LEU 139 Cb -0.56 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.99 2cri s LEU 139 CO 0.36 -0.88 1.63 -0.46 0.23 0.00 0.00 176.35 177.22 2cri n ASN 140 N 6.98 3.38 -4.54 2.29 0.23 -1.26 -4.90 115.26 117.44 2cri n ASN 140 Ca 0.14 1.07 -0.38 0.00 -0.53 0.00 0.00 54.58 54.88 2cri n ASN 140 Cb 0.46 -1.47 0.04 0.00 -2.08 0.00 0.00 39.78 36.73 2cri n ASN 140 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2cri n ASP 141 N 3.64 -0.09 -4.07 0.53 -0.08 -1.26 -5.01 116.55 110.20 2cri n ASP 141 Ca 0.17 0.80 -0.10 0.00 -1.51 0.00 0.00 54.79 54.15 2cri n ASP 141 Cb 0.31 -1.27 -0.09 0.00 2.34 0.00 0.00 41.12 42.41 2cri n ASP 141 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2cri s SER 142 N -1.15 0.19 1.00 1.67 0.15 -1.26 -5.16 113.70 109.13 2cri s SER 142 Ca 0.71 -1.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.17 2cri s SER 142 Cb -0.45 0.36 0.19 0.00 -1.71 0.00 0.00 66.02 64.40 2cri s SER 142 CO 0.52 -0.80 1.08 -0.83 1.20 0.00 0.00 173.24 174.41 2cri s GLY 143 N -3.02 1.60 0.00 9.45 0.00 -1.26 -4.88 107.32 109.21 2cri s GLY 143 Ca 0.22 -0.02 0.16 0.00 0.00 0.00 0.00 44.72 45.07 2cri s GLY 143 CO 0.01 0.54 1.37 -1.55 0.00 0.00 0.00 173.10 173.47 2cri n PRO 144 N -4.30 0.42 -4.10 2.90 -0.04 -1.26 -4.74 135.00 123.88 2cri n PRO 144 Ca 0.06 0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 2cri n PRO 144 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 2cri n PRO 144 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cri s SER 145 N -2.15 0.43 -0.30 3.54 0.01 -1.26 -5.15 113.70 108.82 2cri s SER 145 Ca 0.21 -1.06 -0.11 0.00 1.31 0.00 0.00 55.95 56.31 2cri s SER 145 Cb 0.11 0.23 0.18 0.00 0.21 0.00 0.00 66.02 66.75 2cri s SER 145 CO 0.19 -0.64 0.96 -0.94 0.41 0.00 0.00 173.24 173.22 2cri s SER 146 N -2.96 -0.65 0.00 2.44 1.04 -1.26 -5.11 113.70 107.20 2cri s SER 146 Ca 0.12 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2cri s SER 146 Cb 0.08 1.54 0.00 0.00 0.10 0.00 0.00 66.02 67.73 2cri s SER 146 CO -0.06 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.65