#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrt s ILE 2 N 0.00 2.96 0.76 2.46 2.07 -1.26 -4.84 121.20 123.34 2qrt s ILE 2 Ca 0.00 0.55 -0.11 0.00 -1.41 0.00 0.00 60.65 59.69 2qrt s ILE 2 Cb 0.00 -3.17 0.04 0.00 0.13 0.00 0.00 42.46 39.47 2qrt s ILE 2 CO 0.00 -0.17 1.08 -0.51 -1.91 0.00 0.00 174.94 173.43 2qrt s ILE 3 N -1.85 3.53 -0.16 2.00 2.07 -1.26 -5.01 121.20 120.52 2qrt s ILE 3 Ca 0.73 0.50 -0.21 0.00 -1.41 0.00 0.00 60.65 60.26 2qrt s ILE 3 Cb -0.25 -3.12 -0.03 0.00 0.13 0.00 0.00 42.46 39.19 2qrt s ILE 3 CO 0.33 -0.65 0.60 0.54 -1.91 0.00 0.00 174.94 173.85 2qrt s ASN 4 N -3.62 6.73 0.39 4.50 4.22 -1.26 -5.04 114.94 120.86 2qrt s ASN 4 Ca 0.60 0.88 -0.19 0.00 -2.14 0.00 0.00 52.86 52.01 2qrt s ASN 4 Cb -0.16 -2.34 -0.10 0.00 1.28 0.00 0.00 41.25 39.93 2qrt s ASN 4 CO 0.55 -0.18 0.88 -0.36 -2.04 0.00 0.00 177.10 175.95 2qrt s PHE 5 N 1.43 3.34 -0.11 1.54 0.08 -1.26 -5.07 117.98 117.92 2qrt s PHE 5 Ca 0.29 1.48 -0.03 0.00 0.12 0.00 0.00 56.93 58.80 2qrt s PHE 5 Cb -0.16 -2.75 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 2qrt s PHE 5 CO 0.12 -0.04 0.00 -2.00 -0.10 0.00 0.00 175.22 173.20 2qrt s GLU 6 N -3.09 3.22 0.51 0.44 2.56 -1.26 -4.97 118.70 116.11 2qrt s GLU 6 Ca 0.59 -0.42 -0.22 0.00 0.00 0.00 0.00 54.97 54.92 2qrt s GLU 6 Cb -0.10 -2.86 -0.07 0.00 2.00 0.00 0.00 34.13 33.10 2qrt s GLU 6 CO 0.15 0.57 1.15 1.63 -0.56 0.00 0.00 175.26 178.20 2qrt n LYS 7 N 2.56 1.43 -0.06 4.30 5.02 -1.26 -4.94 118.16 125.20 2qrt n LYS 7 Ca -0.18 0.52 -0.12 0.00 -2.02 0.00 0.00 58.31 56.52 2qrt n LYS 7 Cb 0.53 -2.31 0.02 0.00 -0.02 0.00 0.00 35.03 33.25 2qrt n LYS 7 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qrt h LEU 8 N 1.29 0.84 -3.25 -0.35 3.38 -1.97 -3.49 115.31 111.77 2qrt h LEU 8 Ca -0.48 -0.41 -0.39 0.00 0.09 0.00 0.00 57.88 56.69 2qrt h LEU 8 Cb 1.33 -0.24 0.05 0.00 0.09 0.00 0.00 40.66 41.89 2qrt h LEU 8 CO 0.56 1.16 -0.83 0.61 0.09 0.00 0.00 178.44 180.03 2qrt n GLY 9 N 0.17 -1.09 3.56 0.83 0.00 -1.26 -4.38 105.19 103.01 2qrt n GLY 9 Ca -0.03 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 2qrt n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrt s GLY 11 N -3.05 2.32 0.11 0.00 0.00 -1.11 -4.88 107.32 100.71 2qrt s GLY 11 Ca 0.67 -1.81 -0.36 0.00 0.00 0.00 0.00 44.72 43.23 2qrt s GLY 11 CO 0.61 -1.90 1.30 0.00 0.00 0.00 0.00 173.10 173.11 2qrt n ALA 12 N -0.82 -0.87 0.07 3.20 0.00 -1.26 -4.23 120.51 116.59 2qrt n ALA 12 Ca -0.05 0.50 -0.14 0.00 0.00 0.00 0.00 53.44 53.75 2qrt n ALA 12 Cb 0.66 -2.07 -0.14 0.00 0.00 0.00 0.00 19.45 17.91 2qrt n ALA 12 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qrt h SER 13 N 4.25 0.30 -5.83 0.00 4.64 -1.28 -3.29 113.55 112.34 2qrt h SER 13 Ca -0.46 -0.38 -0.39 0.00 -0.47 0.00 0.00 61.79 60.08 2qrt h SER 13 Cb 1.34 -0.10 0.14 0.00 -0.31 0.00 0.00 62.40 63.46 2qrt h SER 13 CO 0.76 1.31 -0.70 0.61 -0.87 0.00 0.00 176.83 177.94 2qrt n GLY 14 N 1.57 -0.51 3.68 -0.77 0.00 -1.26 -4.15 105.19 103.75 2qrt n GLY 14 Ca -0.11 0.22 -0.52 0.00 0.00 0.00 0.00 46.02 45.61 2qrt n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrt n GLY 15 N -1.82 1.06 2.45 -0.02 0.00 -1.26 -4.82 105.19 100.78 2qrt n GLY 15 Ca -0.05 0.85 -0.00 0.00 0.00 0.00 0.00 46.02 46.81 2qrt n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrt n GLY 16 N 3.98 1.63 0.00 -0.02 0.00 -1.26 -5.10 105.19 104.42 2qrt n GLY 16 Ca 0.23 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2qrt n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrt n GLY 17 N -0.62 0.41 3.68 -0.02 0.00 -1.26 -5.10 105.19 102.28 2qrt n GLY 17 Ca -0.02 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2qrt n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qrt s SER 18 N -4.00 6.66 0.14 1.61 1.04 -1.26 -4.94 113.70 112.94 2qrt s SER 18 Ca 0.00 2.38 -0.03 0.00 0.48 0.00 0.00 55.95 58.78 2qrt s SER 18 Cb 0.00 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.58 2qrt s SER 18 CO 0.00 -0.87 0.24 0.61 0.98 0.00 0.00 173.24 174.20 2qrt n GLY 19 N 3.96 2.21 0.11 7.32 0.00 -1.26 -4.86 105.19 112.67 2qrt n GLY 19 Ca 0.16 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 45.01 2qrt n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrt n GLY 20 N -0.21 -0.99 0.00 -0.02 0.00 -1.26 -4.67 105.19 98.05 2qrt n GLY 20 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2qrt n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrt n GLY 21 N 1.42 -3.34 2.99 -0.02 0.00 -1.26 -2.10 105.19 102.88 2qrt n GLY 21 Ca 0.09 0.46 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 2qrt n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qrt s GLY 22 N -0.11 2.73 0.38 -0.02 0.00 -1.26 -4.70 107.32 104.34 2qrt s GLY 22 Ca 0.00 -3.56 -0.25 0.00 0.00 0.00 0.00 44.72 40.90 2qrt s GLY 22 CO 0.00 1.08 0.99 -1.14 0.00 0.00 0.00 173.10 174.03 2qrt n SER 23 N 2.67 1.20 -4.73 1.64 3.41 -1.26 -4.98 113.62 111.56 2qrt n SER 23 Ca 0.13 1.08 -0.40 0.00 -0.26 0.00 0.00 58.87 59.42 2qrt n SER 23 Cb 0.35 -1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 62.93 2qrt n SER 23 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2qrt s ILE 1 N -1.21 4.93 0.61 -1.33 2.07 -1.26 -5.03 121.20 119.98 2qrt s ILE 1 Ca 0.61 1.45 -0.12 0.00 -1.41 0.00 0.00 60.65 61.18 2qrt s ILE 1 Cb -0.60 -4.04 -0.04 0.00 0.13 0.00 0.00 42.46 37.91 2qrt s ILE 1 CO 0.58 0.32 1.03 -1.10 -1.91 0.00 0.00 174.94 173.86 2qrt s GLN 2 N 0.36 3.54 -0.14 3.50 -0.21 -1.26 -4.96 119.66 120.49 2qrt s GLN 2 Ca 0.36 0.86 -0.02 0.00 0.02 0.00 0.00 55.36 56.58 2qrt s GLN 2 Cb -0.19 -2.07 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 2qrt s GLN 2 CO 0.19 -0.61 -0.07 0.15 -2.12 0.00 0.00 175.29 172.83 2qrt s LYS 3 N -4.86 3.48 0.10 2.91 3.01 -0.02 -4.96 119.74 119.41 2qrt s LYS 3 Ca 0.57 -0.58 -0.30 0.00 -1.01 0.00 0.00 55.97 54.65 2qrt s LYS 3 Cb -0.12 -2.78 -0.06 0.00 -1.01 0.00 0.00 37.83 33.87 2qrt s LYS 3 CO 0.48 0.28 1.04 0.99 0.51 0.00 0.00 175.35 178.66 2qrt s THR 4 N 0.23 4.30 0.41 2.17 2.01 -1.26 -2.46 115.64 121.04 2qrt s THR 4 Ca -0.05 1.84 -0.26 0.00 0.31 0.00 0.00 61.69 63.53 2qrt s THR 4 Cb -0.14 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 2qrt s THR 4 CO 0.04 0.25 1.26 -2.16 -0.69 0.00 0.00 174.62 173.32 2qrt s PRO 5 N 0.23 3.97 -0.04 4.92 0.04 -1.26 -4.48 135.00 138.38 2qrt s PRO 5 Ca 0.50 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 2qrt s PRO 5 Cb -0.26 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2qrt s PRO 5 CO 0.31 -0.46 0.07 -0.65 0.04 0.00 0.00 177.00 176.31 2qrt s GLN 6 N -2.27 3.10 -0.02 4.56 -1.52 0.22 -4.94 119.66 118.79 2qrt s GLN 6 Ca 0.57 -0.41 0.02 0.00 -1.95 0.00 0.00 55.36 53.60 2qrt s GLN 6 Cb -0.36 -2.89 0.01 0.00 -0.22 0.00 0.00 33.01 29.54 2qrt s GLN 6 CO 0.46 0.68 -0.07 0.42 -0.25 0.00 0.00 175.29 176.53 2qrt s ILE 7 N -1.08 0.64 -0.04 1.08 1.01 -1.26 -1.25 121.20 120.30 2qrt s ILE 7 Ca 0.19 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2qrt s ILE 7 Cb -0.12 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.77 2qrt s ILE 7 CO 0.09 0.21 -0.14 -1.10 0.00 0.00 0.00 174.94 174.01 2qrt s GLN 8 N 0.25 1.51 -0.16 2.79 -0.21 -0.63 -4.99 119.66 118.23 2qrt s GLN 8 Ca -0.03 -0.47 0.01 0.00 0.02 0.00 0.00 55.36 54.89 2qrt s GLN 8 Cb -0.08 -1.32 0.02 0.00 1.00 0.00 0.00 33.01 32.63 2qrt s GLN 8 CO 0.00 0.16 -0.19 0.08 -2.12 0.00 0.00 175.29 173.22 2qrt s VAL 9 N 0.22 1.91 0.10 1.09 1.01 -1.26 -0.87 120.40 122.61 2qrt s VAL 9 Ca -0.06 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 2qrt s VAL 9 Cb -0.12 -1.73 0.08 0.00 0.00 0.00 0.00 36.38 34.61 2qrt s VAL 9 CO 0.02 0.52 0.66 -0.72 0.00 0.00 0.00 175.10 175.58 2qrt s TYR 10 N 1.16 -0.53 0.36 5.22 1.13 -0.79 -4.57 117.35 119.34 2qrt s TYR 10 Ca 0.00 0.44 -0.08 0.00 -1.41 0.00 0.00 57.07 56.02 2qrt s TYR 10 Cb -0.14 0.53 -0.06 0.00 -1.10 0.00 0.00 41.96 41.19 2qrt s TYR 10 CO -0.08 -0.76 0.69 -1.54 -2.51 0.00 0.00 175.55 171.35 2qrt s SER 11 N -2.44 6.49 0.09 -0.18 1.04 -1.26 -0.18 113.70 117.26 2qrt s SER 11 Ca -0.00 0.98 -0.15 0.00 0.48 0.00 0.00 55.95 57.26 2qrt s SER 11 Cb -0.01 -2.26 -0.10 0.00 0.10 0.00 0.00 66.02 63.75 2qrt s SER 11 CO -0.09 -0.33 1.40 -0.09 0.98 0.00 0.00 173.24 175.11 2qrt h ARG 12 N 1.40 0.66 -6.13 4.02 2.43 -1.27 -3.46 114.38 112.03 2qrt h ARG 12 Ca -0.47 -0.37 -0.56 0.00 -0.81 0.00 0.00 59.98 57.77 2qrt h ARG 12 Cb 1.19 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.67 2qrt h ARG 12 CO 0.65 0.98 -0.61 -1.01 -1.51 0.00 0.00 179.97 178.47 2qrt s HIS 13 N -4.28 2.66 0.18 2.20 3.76 -1.26 -4.99 115.29 113.56 2qrt s HIS 13 Ca -0.12 -0.32 -0.33 0.00 -0.15 0.00 0.00 55.06 54.13 2qrt s HIS 13 Cb 0.08 -1.39 -0.14 0.00 1.11 0.00 0.00 32.58 32.24 2qrt s HIS 13 CO 0.82 0.50 1.50 -2.30 -0.85 0.00 0.00 174.74 174.42 2qrt n PRO 14 N -0.98 2.01 -2.36 8.40 -0.02 -1.26 -4.87 135.00 135.91 2qrt n PRO 14 Ca -0.05 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 2qrt n PRO 14 Cb 0.60 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 2qrt n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2qrt s PRO 15 N 0.48 4.43 -0.10 0.52 0.04 -1.26 -5.01 135.00 134.10 2qrt s PRO 15 Ca 0.76 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.64 2qrt s PRO 15 Cb -0.70 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 30.57 2qrt s PRO 15 CO 0.42 -0.25 0.00 -1.21 0.04 0.00 0.00 177.00 176.01 2qrt s GLU 16 N 0.74 0.66 0.13 4.56 2.02 -1.26 -5.11 118.70 120.44 2qrt s GLU 16 Ca 0.58 -0.01 -0.35 0.00 0.02 0.00 0.00 54.97 55.21 2qrt s GLU 16 Cb -0.32 -1.22 -0.15 0.00 0.10 0.00 0.00 34.13 32.54 2qrt s GLU 16 CO 0.31 -0.37 1.41 0.09 0.02 0.00 0.00 175.26 176.73 2qrt n ASN 17 N 5.12 2.20 0.00 -0.19 3.02 -1.26 -1.11 115.26 123.04 2qrt n ASN 17 Ca -0.08 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 2qrt n ASN 17 Cb 0.49 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 2qrt n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrt n GLY 18 N 2.77 1.17 3.44 7.41 0.00 0.02 -4.99 105.19 115.02 2qrt n GLY 18 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2qrt n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qrt s LYS 19 N -0.42 3.58 0.30 1.61 1.02 -0.27 -4.99 119.74 120.57 2qrt s LYS 19 Ca 0.00 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.15 2qrt s LYS 19 Cb 0.00 -2.94 -0.13 0.00 -0.52 0.00 0.00 37.83 34.24 2qrt s LYS 19 CO 0.00 0.11 1.17 -2.30 -0.92 0.00 0.00 175.35 173.41 2qrt n PRO 20 N 3.92 1.74 -1.40 -1.68 -0.02 -1.26 -4.22 135.00 132.07 2qrt n PRO 20 Ca -0.17 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2qrt n PRO 20 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2qrt n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2qrt n ASN 21 N 1.13 0.00 -3.93 2.55 2.85 0.27 -4.96 115.26 113.16 2qrt n ASN 21 Ca 0.08 -0.91 -0.22 0.00 -0.11 0.00 0.00 54.58 53.42 2qrt n ASN 21 Cb 0.33 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.19 2qrt n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2qrt s ILE 22 N -2.41 0.74 -0.19 -1.44 1.01 -1.26 -1.66 121.20 115.99 2qrt s ILE 22 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 2qrt s ILE 22 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 2qrt s ILE 22 CO 0.00 0.27 0.08 -0.22 0.00 0.00 0.00 174.94 175.07 2qrt s LEU 23 N 0.89 3.90 0.05 2.97 2.96 0.63 -0.89 118.68 129.20 2qrt s LEU 23 Ca -0.11 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2qrt s LEU 23 Cb -0.15 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2qrt s LEU 23 CO 0.01 0.17 0.00 0.20 -1.32 0.00 0.00 176.35 175.41 2qrt s ASN 24 N 0.41 5.09 -0.29 3.68 0.01 0.74 -1.12 114.94 123.46 2qrt s ASN 24 Ca 0.04 -0.09 -0.00 0.00 -0.71 0.00 0.00 52.86 52.10 2qrt s ASN 24 Cb -0.12 -1.28 0.09 0.00 0.41 0.00 0.00 41.25 40.35 2qrt s ASN 24 CO -0.00 0.22 0.06 0.00 -1.51 0.00 0.00 177.10 175.87 2qrt s TYR 26 N 1.54 3.23 -0.15 0.00 5.04 -0.05 -1.00 117.35 125.96 2qrt s TYR 26 Ca 0.06 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.95 2qrt s TYR 26 Cb -0.18 -2.54 -0.00 0.00 0.35 0.00 0.00 41.96 39.59 2qrt s TYR 26 CO -0.18 -0.25 -0.17 0.08 -1.34 0.00 0.00 175.55 173.70 2qrt s VAL 27 N 1.98 2.56 0.30 3.14 1.01 -0.36 -1.60 120.40 127.43 2qrt s VAL 27 Ca 0.12 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2qrt s VAL 27 Cb -0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2qrt s VAL 27 CO 0.11 0.52 0.19 0.42 0.00 0.00 0.00 175.10 176.34 2qrt s THR 28 N 0.77 0.18 -1.86 3.92 -4.23 -0.38 -0.88 115.64 113.17 2qrt s THR 28 Ca -0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2qrt s THR 28 Cb -0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2qrt s THR 28 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 2qrt n GLN 29 N -0.55 -1.64 -4.17 3.99 1.13 -0.91 -0.61 117.38 114.61 2qrt n GLN 29 Ca 0.03 1.05 -0.22 0.00 -1.94 0.00 0.00 57.00 55.91 2qrt n GLN 29 Cb 0.64 -5.63 -0.05 0.00 0.11 0.00 0.00 30.24 25.31 2qrt n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2qrt s PHE 30 N -2.93 2.98 -0.29 1.08 -0.71 -1.15 -4.13 117.98 112.83 2qrt s PHE 30 Ca 0.00 -0.14 -0.18 0.00 -1.04 0.00 0.00 56.93 55.56 2qrt s PHE 30 Cb 0.00 -1.34 0.14 0.00 -1.21 0.00 0.00 43.02 40.61 2qrt s PHE 30 CO 0.00 0.55 1.00 -1.58 -1.34 0.00 0.00 175.22 173.85 2qrt s HIS 31 N -2.17 -0.54 1.14 3.49 2.46 -1.03 -0.91 115.29 117.73 2qrt s HIS 31 Ca 0.32 1.12 -0.12 0.00 0.47 0.00 0.00 55.06 56.85 2qrt s HIS 31 Cb -0.07 0.35 0.27 0.00 -0.13 0.00 0.00 32.58 33.00 2qrt s HIS 31 CO 0.23 -0.26 1.04 -1.25 -2.47 0.00 0.00 174.74 172.03 2qrt s PRO 32 N 1.05 -0.73 0.43 2.88 0.04 -1.26 -0.84 135.00 136.57 2qrt s PRO 32 Ca -0.06 0.99 0.19 0.00 0.04 0.00 0.00 61.00 62.16 2qrt s PRO 32 Cb -0.04 -1.56 0.96 0.00 0.04 0.00 0.00 34.50 33.90 2qrt s PRO 32 CO -0.13 -3.64 1.90 -1.00 0.04 0.00 0.00 177.00 174.16 2qrt h PRO 33 N -2.57 0.00 -6.60 0.56 0.13 -1.99 -3.44 132.00 118.09 2qrt h PRO 33 Ca -0.59 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.02 2qrt h PRO 33 Cb 1.32 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.50 2qrt h PRO 33 CO 0.48 0.28 0.92 -1.58 -0.23 0.00 0.00 178.00 177.87 2qrt s HIS 34 N -4.10 2.95 -0.04 1.56 2.46 -1.26 -4.98 115.29 111.88 2qrt s HIS 34 Ca -0.02 0.52 -0.27 0.00 0.47 0.00 0.00 55.06 55.76 2qrt s HIS 34 Cb 0.13 -3.98 0.06 0.00 -0.13 0.00 0.00 32.58 28.66 2qrt s HIS 34 CO 0.67 -3.69 0.58 -1.50 -2.47 0.00 0.00 174.74 168.33 2qrt s ILE 35 N 1.31 0.01 -0.13 0.89 2.07 -1.26 -4.65 121.20 119.44 2qrt s ILE 35 Ca 0.72 -0.12 0.02 0.00 -1.41 0.00 0.00 60.65 59.86 2qrt s ILE 35 Cb -0.45 -0.90 0.01 0.00 0.13 0.00 0.00 42.46 41.25 2qrt s ILE 35 CO 0.32 -0.07 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.46 2qrt s GLU 36 N -1.20 2.89 -0.08 3.50 2.02 -0.70 -5.01 118.70 120.13 2qrt s GLU 36 Ca -0.11 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.10 2qrt s GLU 36 Cb -0.01 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.88 2qrt s GLU 36 CO 0.08 -0.02 -0.17 0.42 0.02 0.00 0.00 175.26 175.59 2qrt s ILE 37 N 0.84 1.51 0.03 -1.63 1.01 -1.26 -0.92 121.20 120.77 2qrt s ILE 37 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.92 2qrt s ILE 37 Cb -0.15 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2qrt s ILE 37 CO -0.02 0.44 -0.12 -1.10 0.00 0.00 0.00 174.94 174.14 2qrt s GLN 38 N 0.51 0.82 -0.06 2.79 -0.21 -0.38 -4.99 119.66 118.14 2qrt s GLN 38 Ca -0.16 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 54.58 2qrt s GLN 38 Cb -0.16 -0.79 -0.03 0.00 1.00 0.00 0.00 33.01 33.02 2qrt s GLN 38 CO 0.06 0.20 -0.04 -1.64 -2.12 0.00 0.00 175.29 171.75 2qrt s MET 39 N -0.96 2.81 0.02 2.91 -1.94 -1.26 -0.08 119.30 120.80 2qrt s MET 39 Ca 0.00 -0.52 0.07 0.00 -1.71 0.00 0.00 55.69 53.53 2qrt s MET 39 Cb -0.07 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 2qrt s MET 39 CO 0.01 0.67 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.98 2qrt s LEU 40 N -0.97 2.13 -0.21 -0.03 1.43 0.45 -0.20 118.68 121.28 2qrt s LEU 40 Ca 0.14 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2qrt s LEU 40 Cb -0.11 -0.94 0.04 0.00 0.03 0.00 0.00 46.19 45.21 2qrt s LEU 40 CO 0.03 0.17 -0.14 -0.75 0.23 0.00 0.00 176.35 175.90 2qrt s LYS 41 N -0.94 2.41 -1.55 1.70 2.20 -0.28 -1.16 119.74 122.13 2qrt s LYS 41 Ca 0.07 -0.98 -0.14 0.00 -0.36 0.00 0.00 55.97 54.56 2qrt s LYS 41 Cb -0.08 -2.60 0.09 0.00 -1.51 0.00 0.00 37.83 33.73 2qrt s LYS 41 CO 0.01 -0.39 0.91 0.09 -0.36 0.00 0.00 175.35 175.61 2qrt n ASN 42 N 4.59 -4.16 0.00 1.43 3.02 0.73 -1.44 115.26 119.43 2qrt n ASN 42 Ca -0.17 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2qrt n ASN 42 Cb 0.46 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 2qrt n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrt n GLY 43 N -1.64 1.46 3.52 7.41 0.00 -1.26 -5.03 105.19 109.64 2qrt n GLY 43 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2qrt n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qrt s LYS 44 N -0.17 3.27 0.18 1.61 1.02 -0.52 -5.03 119.74 120.10 2qrt s LYS 44 Ca 0.00 -0.55 -0.33 0.00 0.02 0.00 0.00 55.97 55.11 2qrt s LYS 44 Cb 0.00 -2.75 -0.15 0.00 -0.52 0.00 0.00 37.83 34.41 2qrt s LYS 44 CO 0.00 0.41 1.30 1.17 -0.92 0.00 0.00 175.35 177.31 2qrt n LYS 45 N 3.00 1.53 -3.14 1.68 4.81 -1.26 -1.12 118.16 123.67 2qrt n LYS 45 Ca -0.18 0.55 -0.41 0.00 -0.87 0.00 0.00 58.31 57.40 2qrt n LYS 45 Cb 0.53 -2.14 -0.07 0.00 0.02 0.00 0.00 35.03 33.37 2qrt n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2qrt s ILE 46 N 0.03 4.99 0.07 3.15 1.01 0.73 -4.83 121.20 126.34 2qrt s ILE 46 Ca 0.73 1.02 -0.29 0.00 0.00 0.00 0.00 60.65 62.11 2qrt s ILE 46 Cb -0.78 -3.93 -0.14 0.00 0.01 0.00 0.00 42.46 37.62 2qrt s ILE 46 CO 0.49 0.00 1.45 -0.65 0.00 0.00 0.00 174.94 176.24 2qrt h PRO 47 N 7.99 -0.78 -4.44 2.79 0.11 -1.92 -3.40 132.00 132.36 2qrt h PRO 47 Ca -0.27 0.05 -0.73 0.00 0.11 0.00 0.00 66.00 65.16 2qrt h PRO 47 Cb 1.13 0.18 -0.22 0.00 0.11 0.00 0.00 31.00 32.20 2qrt h PRO 47 CO 0.77 -0.52 -0.12 -1.59 -0.21 0.00 0.00 178.00 176.33 2qrt s LYS 48 N -5.31 3.02 -0.13 1.05 -2.85 -1.26 -4.99 119.74 109.27 2qrt s LYS 48 Ca -0.14 -1.39 0.00 0.00 -1.00 0.00 0.00 55.97 53.43 2qrt s LYS 48 Cb 0.04 -4.22 0.02 0.00 -2.06 0.00 0.00 37.83 31.61 2qrt s LYS 48 CO 0.49 -1.30 -0.12 0.08 0.10 0.00 0.00 175.35 174.60 2qrt s VAL 49 N 2.06 1.35 0.27 1.79 1.01 -1.26 -4.66 120.40 120.96 2qrt s VAL 49 Ca 0.07 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 2qrt s VAL 49 Cb -0.25 -1.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.75 2qrt s VAL 49 CO 0.06 0.42 0.66 -1.61 0.00 0.00 0.00 175.10 174.64 2qrt s GLU 50 N 1.52 3.97 -0.07 2.72 2.02 -0.20 -4.88 118.70 123.78 2qrt s GLU 50 Ca 0.04 0.56 0.05 0.00 0.02 0.00 0.00 54.97 55.64 2qrt s GLU 50 Cb -0.13 -2.59 -0.00 0.00 0.10 0.00 0.00 34.13 31.51 2qrt s GLU 50 CO -0.09 0.26 -0.22 -1.64 0.02 0.00 0.00 175.26 173.59 2qrt s MET 51 N -2.73 2.46 0.88 1.61 -1.94 -1.26 -1.02 119.30 117.30 2qrt s MET 51 Ca 0.50 -0.80 -0.12 0.00 -1.71 0.00 0.00 55.69 53.56 2qrt s MET 51 Cb -0.12 -2.01 0.12 0.00 2.01 0.00 0.00 34.83 34.83 2qrt s MET 51 CO 0.19 0.27 1.13 -1.54 -0.01 0.00 0.00 175.02 175.05 2qrt s SER 52 N 0.09 3.74 0.63 3.03 1.04 -0.21 -5.00 113.70 117.03 2qrt s SER 52 Ca -0.09 1.06 -0.16 0.00 0.48 0.00 0.00 55.95 57.24 2qrt s SER 52 Cb -0.15 -1.67 -0.01 0.00 0.10 0.00 0.00 66.02 64.29 2qrt s SER 52 CO 0.05 -2.42 1.11 -1.81 0.98 0.00 0.00 173.24 171.15 2qrt s ASP 53 N -3.98 5.28 0.30 7.02 1.01 -1.26 -4.71 116.67 120.32 2qrt s ASP 53 Ca 0.63 2.00 -0.16 0.00 0.71 0.00 0.00 52.55 55.74 2qrt s ASP 53 Cb -0.15 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.14 2qrt s ASP 53 CO 0.54 -1.52 0.73 -0.32 0.21 0.00 0.00 175.17 174.81 2qrt s MET 54 N -3.97 4.05 0.28 8.23 1.75 -1.26 -4.75 119.30 123.63 2qrt s MET 54 Ca 0.67 0.70 0.03 0.00 -1.25 0.00 0.00 55.69 55.85 2qrt s MET 54 Cb -0.20 -2.54 -0.04 0.00 2.84 0.00 0.00 34.83 34.89 2qrt s MET 54 CO 0.39 0.22 0.20 -1.12 -0.65 0.00 0.00 175.02 174.05 2qrt s SER 55 N -2.13 1.11 0.05 1.11 0.01 -0.98 -5.01 113.70 107.86 2qrt s SER 55 Ca 0.51 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2qrt s SER 55 Cb -0.12 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 2qrt s SER 55 CO 0.18 -0.95 -0.04 0.72 0.41 0.00 0.00 173.24 173.56 2qrt s PHE 56 N -3.73 0.56 0.48 2.43 -0.12 -1.26 -1.09 117.98 115.24 2qrt s PHE 56 Ca 0.39 -0.87 0.09 0.00 -0.05 0.00 0.00 56.93 56.49 2qrt s PHE 56 Cb 0.05 -0.38 0.04 0.00 -0.63 0.00 0.00 43.02 42.10 2qrt s PHE 56 CO 0.20 -0.26 0.65 -1.54 -0.05 0.00 0.00 175.22 174.21 2qrt s SER 57 N -2.51 5.42 0.67 1.98 1.04 0.37 -4.96 113.70 115.71 2qrt s SER 57 Ca 0.02 -0.60 0.42 0.00 0.48 0.00 0.00 55.95 56.26 2qrt s SER 57 Cb 0.02 -0.28 2.26 0.00 0.10 0.00 0.00 66.02 68.12 2qrt s SER 57 CO -0.06 -0.98 2.28 0.07 0.98 0.00 0.00 173.24 175.52 2qrt h LYS 58 N 0.47 0.00 -0.60 4.02 2.10 -2.03 0.29 116.57 120.83 2qrt h LYS 58 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2qrt h LYS 58 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2qrt h LYS 58 CO 0.44 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.49 2qrt n ASP 59 N -3.05 2.96 0.00 7.07 5.68 -1.26 -4.90 116.55 123.05 2qrt n ASP 59 Ca -0.03 -2.27 0.00 0.00 -0.50 0.00 0.00 54.79 51.99 2qrt n ASP 59 Cb 0.14 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 2qrt n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2qrt n TRP 60 N 0.53 0.00 -2.71 2.11 5.03 0.10 -5.01 117.44 117.48 2qrt n TRP 60 Ca 0.15 0.00 -0.35 0.00 3.03 0.00 0.00 57.50 60.32 2qrt n TRP 60 Cb 0.57 -0.15 -0.06 0.00 -1.03 0.00 0.00 31.31 30.65 2qrt n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2qrt s SER 61 N -3.63 6.99 0.42 -0.99 1.04 -1.26 -4.65 113.70 111.63 2qrt s SER 61 Ca 0.00 1.85 -0.05 0.00 0.48 0.00 0.00 55.95 58.23 2qrt s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2qrt s SER 61 CO 0.00 -0.32 0.71 -0.36 0.98 0.00 0.00 173.24 174.25 2qrt s PHE 62 N -1.83 3.53 0.03 5.02 0.40 -0.09 -0.48 117.98 124.56 2qrt s PHE 62 Ca 0.57 0.73 -0.14 0.00 -0.60 0.00 0.00 56.93 57.50 2qrt s PHE 62 Cb -0.16 -2.22 0.02 0.00 0.51 0.00 0.00 43.02 41.17 2qrt s PHE 62 CO 0.21 -0.13 0.30 1.52 0.70 0.00 0.00 175.22 177.83 2qrt s TYR 63 N -2.54 -0.12 0.09 0.36 1.13 -0.25 -2.15 117.35 113.87 2qrt s TYR 63 Ca 0.46 0.04 -0.26 0.00 -1.41 0.00 0.00 57.07 55.90 2qrt s TYR 63 Cb -0.10 0.10 0.07 0.00 -1.10 0.00 0.00 41.96 40.92 2qrt s TYR 63 CO 0.40 -0.48 0.62 -1.50 -2.51 0.00 0.00 175.55 172.08 2qrt s ILE 64 N -2.27 0.00 -0.15 -3.49 2.07 -0.06 -2.31 121.20 114.99 2qrt s ILE 64 Ca -0.07 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 2qrt s ILE 64 Cb -0.02 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.59 2qrt s ILE 64 CO -0.02 -0.01 -0.17 -0.22 -1.91 0.00 0.00 174.94 172.62 2qrt s LEU 65 N -2.21 1.85 0.04 8.50 2.96 -1.26 -1.22 118.68 127.34 2qrt s LEU 65 Ca -0.03 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2qrt s LEU 65 Cb -0.01 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 2qrt s LEU 65 CO -0.05 -0.02 0.10 0.00 -1.32 0.00 0.00 176.35 175.06 2qrt s ALA 66 N 1.33 3.64 0.05 5.97 0.00 -0.17 -1.04 121.76 131.54 2qrt s ALA 66 Ca 0.03 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 2qrt s ALA 66 Cb -0.13 -1.56 0.06 0.00 0.00 0.00 0.00 23.12 21.49 2qrt s ALA 66 CO -0.10 0.74 0.56 -3.38 0.00 0.00 0.00 175.76 173.57 2qrt s HIS 67 N -1.32 -0.48 -0.03 0.00 -3.43 -0.19 -0.15 115.29 109.69 2qrt s HIS 67 Ca 0.27 0.55 -0.11 0.00 -0.80 0.00 0.00 55.06 54.97 2qrt s HIS 67 Cb -0.12 0.38 0.02 0.00 -1.43 0.00 0.00 32.58 31.43 2qrt s HIS 67 CO 0.19 -0.67 0.25 -0.08 -2.00 0.00 0.00 174.74 172.43 2qrt s THR 68 N -2.45 0.05 0.38 -5.38 -1.32 -0.28 -1.04 115.64 105.61 2qrt s THR 68 Ca -0.05 -0.43 -0.26 0.00 -1.21 0.00 0.00 61.69 59.75 2qrt s THR 68 Cb -0.01 -0.51 -0.09 0.00 -1.51 0.00 0.00 72.50 70.39 2qrt s THR 68 CO -0.02 -0.23 1.12 -1.61 -2.21 0.00 0.00 174.62 171.67 2qrt s GLU 69 N -0.99 4.20 0.18 7.08 2.02 -1.26 -0.27 118.70 129.66 2qrt s GLU 69 Ca -0.11 1.74 -0.23 0.00 0.02 0.00 0.00 54.97 56.40 2qrt s GLU 69 Cb -0.05 -2.74 0.06 0.00 0.10 0.00 0.00 34.13 31.50 2qrt s GLU 69 CO 0.03 -0.17 0.65 -0.59 0.02 0.00 0.00 175.26 175.20 2qrt s PHE 70 N -1.43 -0.43 -0.30 1.61 -0.71 -0.66 -4.85 117.98 111.21 2qrt s PHE 70 Ca 0.55 0.15 0.01 0.00 -1.04 0.00 0.00 56.93 56.60 2qrt s PHE 70 Cb -0.29 0.60 0.09 0.00 -1.21 0.00 0.00 43.02 42.22 2qrt s PHE 70 CO 0.36 -0.94 0.06 0.99 -1.34 0.00 0.00 175.22 174.35 2qrt s THR 71 N -3.76 1.32 0.61 -4.49 2.01 -1.26 0.93 115.64 111.01 2qrt s THR 71 Ca 0.04 -1.57 -0.18 0.00 0.31 0.00 0.00 61.69 60.29 2qrt s THR 71 Cb -0.02 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 2qrt s THR 71 CO -0.07 -0.54 1.19 -2.16 -0.69 0.00 0.00 174.62 172.35 2qrt s PRO 72 N 1.41 2.87 0.27 4.92 0.04 -1.26 -4.76 135.00 138.49 2qrt s PRO 72 Ca 0.07 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2qrt s PRO 72 Cb -0.18 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2qrt s PRO 72 CO -0.17 -1.27 0.08 0.95 0.04 0.00 0.00 177.00 176.63 2qrt s THR 73 N -1.73 0.76 0.35 1.26 -4.23 -1.26 -0.80 115.64 109.99 2qrt s THR 73 Ca 0.76 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 2qrt s THR 73 Cb -0.29 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.18 2qrt s THR 73 CO 0.35 -0.04 2.01 -0.08 -0.54 0.00 0.00 174.62 176.31 2qrt h GLU 74 N 2.33 0.84 -0.01 3.99 4.81 -1.97 -3.30 114.58 121.28 2qrt h GLU 74 Ca -0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2qrt h GLU 74 Cb 1.24 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2qrt h GLU 74 CO 0.63 0.56 -0.26 0.25 -0.73 0.00 0.00 179.01 179.46 2qrt n THR 75 N -4.44 0.00 -2.48 0.32 -2.24 -1.26 -5.00 114.28 99.19 2qrt n THR 75 Ca 0.06 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 2qrt n THR 75 Cb 0.04 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 2qrt n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qrt s ASP 76 N -1.47 7.25 -0.11 3.42 1.01 -1.24 -5.03 116.67 120.50 2qrt s ASP 76 Ca 0.07 2.18 -0.04 0.00 0.71 0.00 0.00 52.55 55.47 2qrt s ASP 76 Cb 0.08 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2qrt s ASP 76 CO 0.28 -0.21 0.05 0.42 0.21 0.00 0.00 175.17 175.92 2qrt s THR 77 N -0.60 4.69 0.06 -1.27 -4.23 -1.26 -4.77 115.64 108.26 2qrt s THR 77 Ca 0.48 -0.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.96 2qrt s THR 77 Cb -0.31 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 2qrt s THR 77 CO 0.38 0.59 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.54 2qrt s TYR 78 N -0.77 1.71 0.18 3.99 2.02 -1.26 -0.19 117.35 123.03 2qrt s TYR 78 Ca 0.12 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.31 2qrt s TYR 78 Cb -0.12 -0.99 0.01 0.00 -0.40 0.00 0.00 41.96 40.46 2qrt s TYR 78 CO 0.03 0.12 0.40 0.00 -1.57 0.00 0.00 175.55 174.52 2qrt s ALA 79 N -0.94 -0.40 -0.07 3.71 0.00 -0.31 -0.81 121.76 122.94 2qrt s ALA 79 Ca 0.06 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2qrt s ALA 79 Cb -0.09 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.91 2qrt s ALA 79 CO 0.02 -0.73 -0.17 0.00 0.00 0.00 0.00 175.76 174.88 2qrt s ARG 81 N 0.45 3.22 -0.10 0.00 3.52 0.89 -0.17 118.95 126.76 2qrt s ARG 81 Ca -0.14 -0.77 0.03 0.00 -0.13 0.00 0.00 55.73 54.72 2qrt s ARG 81 Cb -0.16 -2.52 0.01 0.00 -1.56 0.00 0.00 34.95 30.72 2qrt s ARG 81 CO 0.05 0.15 -0.20 0.08 -0.81 0.00 0.00 175.30 174.58 2qrt s VAL 82 N 0.47 1.76 -0.18 7.11 1.01 0.51 -1.25 120.40 129.83 2qrt s VAL 82 Ca -0.12 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2qrt s VAL 82 Cb -0.16 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2qrt s VAL 82 CO 0.05 0.49 -0.05 -0.75 0.00 0.00 0.00 175.10 174.84 2qrt s LYS 83 N 0.60 3.49 -0.05 2.72 2.20 -0.10 -0.69 119.74 127.93 2qrt s LYS 83 Ca -0.14 -0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 54.76 2qrt s LYS 83 Cb -0.17 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2qrt s LYS 83 CO 0.04 0.03 0.27 -1.58 -0.36 0.00 0.00 175.35 173.75 2qrt s HIS 84 N 0.90 -0.19 0.64 4.03 2.46 -1.26 -1.72 115.29 120.15 2qrt s HIS 84 Ca -0.01 0.37 0.32 0.00 0.47 0.00 0.00 55.06 56.21 2qrt s HIS 84 Cb -0.15 0.07 1.74 0.00 -0.13 0.00 0.00 32.58 34.12 2qrt s HIS 84 CO 0.01 -0.28 2.03 0.00 -2.47 0.00 0.00 174.74 174.03 2qrt h ALA 85 N 4.63 1.53 0.00 1.58 0.00 -1.94 -1.44 119.26 123.62 2qrt h ALA 85 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qrt h ALA 85 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qrt h ALA 85 CO 0.37 -0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 2qrt n SER 86 N -3.27 0.53 -4.32 0.00 3.41 -1.26 -4.76 113.62 103.96 2qrt n SER 86 Ca 0.00 0.60 -0.30 0.00 -0.26 0.00 0.00 58.87 58.92 2qrt n SER 86 Cb 0.36 -0.73 -0.15 0.00 -0.26 0.00 0.00 64.21 63.43 2qrt n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qrt s MET 87 N -3.19 1.86 0.24 4.33 -1.94 -0.54 -4.89 119.30 115.17 2qrt s MET 87 Ca 0.07 -1.01 -0.07 0.00 -1.71 0.00 0.00 55.69 52.96 2qrt s MET 87 Cb 0.11 -1.94 0.24 0.00 2.01 0.00 0.00 34.83 35.25 2qrt s MET 87 CO 0.43 0.51 1.91 0.00 -0.01 0.00 0.00 175.02 177.86 2qrt h ALA 88 N 5.08 1.18 -2.36 3.03 0.00 -1.85 -3.44 119.26 120.90 2qrt h ALA 88 Ca -0.44 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 2qrt h ALA 88 Cb 1.14 -0.36 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 2qrt h ALA 88 CO 0.45 0.55 -0.66 -1.21 0.00 0.00 0.00 179.25 178.38 2qrt s GLU 89 N -6.12 0.92 0.39 0.00 2.02 -1.26 -5.10 118.70 109.55 2qrt s GLU 89 Ca -0.13 -1.43 -0.27 0.00 0.02 0.00 0.00 54.97 53.17 2qrt s GLU 89 Cb 0.17 0.10 -0.11 0.00 0.10 0.00 0.00 34.13 34.39 2qrt s GLU 89 CO 0.81 -0.20 1.32 -2.30 0.02 0.00 0.00 175.26 174.90 2qrt n PRO 90 N -0.10 2.12 -3.83 0.39 -0.02 -1.26 -4.87 135.00 127.42 2qrt n PRO 90 Ca -0.07 0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 2qrt n PRO 90 Cb 0.63 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 2qrt n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qrt s LYS 91 N -2.09 4.00 -0.20 -0.52 2.47 0.14 -4.89 119.74 118.65 2qrt s LYS 91 Ca 0.58 -0.32 -0.05 0.00 -1.56 0.00 0.00 55.97 54.62 2qrt s LYS 91 Cb -0.52 -3.36 -0.02 0.00 -1.46 0.00 0.00 37.83 32.47 2qrt s LYS 91 CO 0.60 0.16 -0.01 0.99 0.16 0.00 0.00 175.35 177.26 2qrt s THR 92 N 0.71 3.86 -0.17 3.43 2.01 -1.26 -0.36 115.64 123.86 2qrt s THR 92 Ca 0.05 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 2qrt s THR 92 Cb -0.13 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.64 2qrt s THR 92 CO 0.02 0.43 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.54 2qrt s VAL 93 N 1.03 2.65 0.16 3.82 1.01 0.77 -4.95 120.40 124.89 2qrt s VAL 93 Ca 0.02 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 2qrt s VAL 93 Cb -0.14 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 34.03 2qrt s VAL 93 CO 0.01 0.51 0.66 -0.31 0.00 0.00 0.00 175.10 175.97 2qrt s TYR 94 N 0.99 3.73 -0.14 5.22 1.51 -1.26 -0.57 117.35 126.82 2qrt s TYR 94 Ca -0.02 1.35 -0.29 0.00 -1.01 0.00 0.00 57.07 57.10 2qrt s TYR 94 Cb -0.15 -2.57 -0.02 0.00 -0.11 0.00 0.00 41.96 39.11 2qrt s TYR 94 CO -0.03 0.45 1.28 -0.46 -1.11 0.00 0.00 175.55 175.69 2qrt s TRP 95 N -1.33 2.84 -0.16 2.71 -0.00 0.01 -4.87 118.94 118.13 2qrt s TRP 95 Ca 0.37 0.98 -0.00 0.00 -0.00 0.00 0.00 56.10 57.45 2qrt s TRP 95 Cb -0.18 -3.52 -0.00 0.00 -0.00 0.00 0.00 33.47 29.76 2qrt s TRP 95 CO 0.21 -1.80 -0.14 0.16 -0.00 0.00 0.00 176.95 175.38 2qrt s ASP 96 N 1.99 3.75 -0.28 5.86 -4.77 -1.26 -4.73 116.67 117.23 2qrt s ASP 96 Ca 0.56 -0.46 0.11 0.00 -3.30 0.00 0.00 52.55 49.46 2qrt s ASP 96 Cb -0.23 -1.59 0.58 0.00 -1.09 0.00 0.00 42.92 40.59 2qrt s ASP 96 CO 0.17 0.07 1.57 -2.11 0.70 0.00 0.00 175.17 175.56 2qrt n ARG 97 N 4.17 2.57 0.00 2.11 1.85 -1.26 -4.93 116.66 121.17 2qrt n ARG 97 Ca -0.19 -3.04 0.00 0.00 -1.00 0.00 0.00 57.85 53.62 2qrt n ARG 97 Cb 0.52 -1.94 0.00 0.00 -1.05 0.00 0.00 32.46 29.98 2qrt n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2qrt n ASP 98 N -0.76 0.00 0.00 2.89 8.00 -1.26 -5.03 116.55 120.39 2qrt n ASP 98 Ca 0.34 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.84 2qrt n ASP 98 Cb 1.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 2qrt n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2qrt n MET 99 N -2.44 0.00 0.00 -1.24 2.81 -1.26 -5.11 117.12 109.88 2qrt n MET 99 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2qrt n MET 99 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2qrt n MET 99 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qrt n GLY 1 N -0.05 2.07 3.75 3.03 0.00 -1.26 -4.71 105.19 108.03 2qrt n GLY 1 Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2qrt n GLY 1 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qrt s PRO 2 N 0.00 2.85 0.05 1.61 0.04 -1.26 -1.26 135.00 137.03 2qrt s PRO 2 Ca 0.00 -0.67 -0.00 0.00 0.04 0.00 0.00 61.00 60.37 2qrt s PRO 2 Cb 0.00 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 2qrt s PRO 2 CO 0.00 0.58 -0.04 -1.01 0.04 0.00 0.00 177.00 176.58 2qrt s HIS 3 N -1.31 0.56 0.02 0.56 3.76 0.10 -4.99 115.29 113.99 2qrt s HIS 3 Ca 0.26 -1.00 -0.04 0.00 -0.15 0.00 0.00 55.06 54.14 2qrt s HIS 3 Cb -0.12 -0.39 -0.01 0.00 1.11 0.00 0.00 32.58 33.16 2qrt s HIS 3 CO 0.19 -0.33 0.06 -1.54 -0.85 0.00 0.00 174.74 172.27 2qrt s SER 4 N -2.81 0.17 -0.19 1.40 1.04 -1.26 -0.03 113.70 112.02 2qrt s SER 4 Ca 0.06 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.04 2qrt s SER 4 Cb 0.06 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.39 2qrt s SER 4 CO -0.08 -0.40 -0.12 -0.22 0.98 0.00 0.00 173.24 173.40 2qrt s LEU 5 N -1.72 2.23 -0.01 2.42 2.96 -0.23 -0.91 118.68 123.43 2qrt s LEU 5 Ca -0.11 -0.83 0.02 0.00 -0.22 0.00 0.00 54.13 53.00 2qrt s LEU 5 Cb -0.06 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.36 2qrt s LEU 5 CO -0.02 -0.12 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.69 2qrt s ARG 6 N 1.38 0.57 -0.11 1.98 0.52 -0.48 -0.80 118.95 122.02 2qrt s ARG 6 Ca -0.00 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 2qrt s ARG 6 Cb -0.16 -0.56 -0.02 0.00 0.52 0.00 0.00 34.95 34.74 2qrt s ARG 6 CO -0.09 0.15 -0.13 0.71 0.02 0.00 0.00 175.30 175.96 2qrt s TYR 7 N -0.16 2.79 -0.26 -0.53 2.02 0.18 -0.78 117.35 120.61 2qrt s TYR 7 Ca 0.03 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.21 2qrt s TYR 7 Cb -0.03 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 2qrt s TYR 7 CO -0.00 -0.08 0.00 -0.06 -1.57 0.00 0.00 175.55 173.84 2qrt s PHE 8 N 0.02 3.07 -0.08 2.71 0.40 -0.04 -1.09 117.98 122.97 2qrt s PHE 8 Ca -0.04 -1.15 0.01 0.00 -0.60 0.00 0.00 56.93 55.15 2qrt s PHE 8 Cb -0.14 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 2qrt s PHE 8 CO 0.04 -0.62 -0.09 0.08 0.70 0.00 0.00 175.22 175.34 2qrt s VAL 9 N 1.44 3.54 -0.05 -0.44 1.01 -0.02 -1.25 120.40 124.62 2qrt s VAL 9 Ca 0.03 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2qrt s VAL 9 Cb -0.16 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2qrt s VAL 9 CO -0.01 0.58 -0.05 -0.89 0.00 0.00 0.00 175.10 174.73 2qrt s THR 10 N -0.60 0.63 -0.13 3.92 2.01 -0.40 -1.59 115.64 119.47 2qrt s THR 10 Ca 0.09 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2qrt s THR 10 Cb -0.12 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.76 2qrt s THR 10 CO 0.02 0.25 -0.16 0.00 -0.69 0.00 0.00 174.62 174.04 2qrt s ALA 11 N 1.02 1.86 -0.13 7.40 0.00 -0.09 -1.20 121.76 130.63 2qrt s ALA 11 Ca -0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 2qrt s ALA 11 Cb -0.14 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.05 2qrt s ALA 11 CO -0.00 -0.20 -0.07 0.08 0.00 0.00 0.00 175.76 175.57 2qrt s VAL 12 N 1.16 1.03 0.51 0.00 1.01 -0.33 -0.45 120.40 123.34 2qrt s VAL 12 Ca -0.02 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 2qrt s VAL 12 Cb -0.14 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 35.07 2qrt s VAL 12 CO -0.06 0.30 1.01 -0.94 0.00 0.00 0.00 175.10 175.42 2qrt s SER 13 N 1.70 6.38 -0.40 3.32 1.04 -0.36 -1.10 113.70 124.28 2qrt s SER 13 Ca 0.04 1.76 0.08 0.00 0.48 0.00 0.00 55.95 58.30 2qrt s SER 13 Cb -0.13 -2.54 0.25 0.00 0.10 0.00 0.00 66.02 63.70 2qrt s SER 13 CO -0.08 -0.75 0.57 0.54 0.98 0.00 0.00 173.24 174.49 2qrt n ARG 14 N -1.36 0.72 -1.67 4.02 1.74 -1.26 -3.95 116.66 114.90 2qrt n ARG 14 Ca 0.08 -3.03 -0.50 0.00 -0.77 0.00 0.00 57.85 53.63 2qrt n ARG 14 Cb 0.53 -1.24 -0.05 0.00 -1.02 0.00 0.00 32.46 30.68 2qrt n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2qrt n PRO 15 N 1.43 1.85 -0.81 5.56 -0.02 -1.26 -0.83 135.00 140.92 2qrt n PRO 15 Ca 0.20 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2qrt n PRO 15 Cb 0.54 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2qrt n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qrt n GLY 16 N 3.73 0.77 0.31 -1.23 0.00 -1.26 -4.84 105.19 102.66 2qrt n GLY 16 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 2qrt n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qrt n LEU 17 N 0.00 0.84 0.00 0.99 4.77 -0.01 -5.14 117.00 118.45 2qrt n LEU 17 Ca 0.00 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 2qrt n LEU 17 Cb 0.00 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2qrt n LEU 17 CO 0.00 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2qrt n GLY 18 N -0.49 -1.34 3.77 -0.72 0.00 -1.20 -4.98 105.19 100.24 2qrt n GLY 18 Ca 0.05 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 2qrt n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qrt s GLU 19 N 0.00 2.34 0.50 1.61 0.41 -1.26 -4.44 118.70 117.85 2qrt s GLU 19 Ca 0.00 1.14 -0.23 0.00 -0.41 0.00 0.00 54.97 55.47 2qrt s GLU 19 Cb 0.00 -1.91 -0.07 0.00 -1.78 0.00 0.00 34.13 30.37 2qrt s GLU 19 CO 0.00 -1.58 1.37 -2.30 -0.49 0.00 0.00 175.26 172.26 2qrt n PRO 20 N -3.48 1.92 -3.23 0.39 -0.02 -1.26 -4.65 135.00 124.68 2qrt n PRO 20 Ca 0.09 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.88 2qrt n PRO 20 Cb 0.53 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 2qrt n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2qrt s ARG 21 N -2.63 4.34 -0.05 -0.52 3.52 -0.26 -4.89 118.95 118.46 2qrt s ARG 21 Ca 0.66 0.63 0.04 0.00 -0.13 0.00 0.00 55.73 56.94 2qrt s ARG 21 Cb -0.44 -3.41 -0.00 0.00 -1.56 0.00 0.00 34.95 29.54 2qrt s ARG 21 CO 0.53 0.21 -0.19 -0.47 -0.81 0.00 0.00 175.30 174.57 2qrt s TYR 22 N 0.40 1.93 -0.02 5.12 5.04 -1.26 -1.18 117.35 127.37 2qrt s TYR 22 Ca 0.30 -0.61 -0.03 0.00 -2.44 0.00 0.00 57.07 54.29 2qrt s TYR 22 Cb -0.17 -1.30 0.00 0.00 0.35 0.00 0.00 41.96 40.85 2qrt s TYR 22 CO 0.14 -0.22 0.08 -1.64 -1.34 0.00 0.00 175.55 172.57 2qrt s MET 23 N 0.10 0.16 -0.10 4.97 -1.94 -0.34 -0.52 119.30 121.63 2qrt s MET 23 Ca -0.07 -0.01 0.02 0.00 -1.71 0.00 0.00 55.69 53.92 2qrt s MET 23 Cb -0.13 0.07 0.02 0.00 2.01 0.00 0.00 34.83 36.79 2qrt s MET 23 CO 0.03 -0.03 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.67 2qrt s GLU 24 N -0.26 2.07 -0.11 2.03 2.02 -0.56 -1.28 118.70 122.62 2qrt s GLU 24 Ca -0.03 -0.51 0.01 0.00 0.02 0.00 0.00 54.97 54.46 2qrt s GLU 24 Cb -0.02 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.44 2qrt s GLU 24 CO 0.00 -0.07 -0.12 0.08 0.02 0.00 0.00 175.26 175.18 2qrt s VAL 25 N 1.00 1.28 -0.07 2.63 1.01 -0.38 -0.62 120.40 125.25 2qrt s VAL 25 Ca -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2qrt s VAL 25 Cb -0.15 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2qrt s VAL 25 CO -0.01 0.40 0.12 -0.83 0.00 0.00 0.00 175.10 174.78 2qrt s GLY 26 N 1.33 2.09 -0.03 4.51 0.00 -0.20 -0.86 107.32 114.17 2qrt s GLY 26 Ca -0.01 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.02 2qrt s GLY 26 CO -0.06 -0.53 -0.13 -0.19 0.00 0.00 0.00 173.10 172.20 2qrt s TYR 27 N -1.09 1.28 -0.24 1.90 2.02 0.04 -0.35 117.35 120.91 2qrt s TYR 27 Ca 0.19 -0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2qrt s TYR 27 Cb -0.12 -0.88 0.01 0.00 -0.40 0.00 0.00 41.96 40.58 2qrt s TYR 27 CO 0.08 -0.11 -0.06 0.08 -1.57 0.00 0.00 175.55 173.98 2qrt s VAL 28 N 0.05 3.03 -1.49 0.71 1.01 -0.67 -1.39 120.40 121.66 2qrt s VAL 28 Ca -0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2qrt s VAL 28 Cb -0.09 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2qrt s VAL 28 CO 0.01 0.28 0.31 0.47 0.00 0.00 0.00 175.10 176.17 2qrt n ASP 29 N 4.72 -0.14 0.00 3.32 8.00 -0.09 -1.16 116.55 131.20 2qrt n ASP 29 Ca -0.17 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.23 2qrt n ASP 29 Cb 0.48 -2.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.06 2qrt n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qrt n ASP 30 N -2.92 -2.52 -4.50 -2.24 9.92 -1.26 -5.00 116.55 108.04 2qrt n ASP 30 Ca -0.28 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.61 2qrt n ASP 30 Cb 0.67 -1.41 -0.12 0.00 -0.64 0.00 0.00 41.12 39.62 2qrt n ASP 30 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2qrt s THR 31 N -2.09 4.57 0.15 -3.53 -4.23 -0.31 -5.05 115.64 105.15 2qrt s THR 31 Ca 0.00 -0.09 -0.31 0.00 -1.18 0.00 0.00 61.69 60.11 2qrt s THR 31 Cb 0.00 -3.14 -0.10 0.00 1.34 0.00 0.00 72.50 70.60 2qrt s THR 31 CO 0.00 0.33 1.67 -0.70 -0.54 0.00 0.00 174.62 175.38 2qrt s GLU 32 N 1.50 4.18 0.00 3.99 2.12 -1.26 -1.68 118.70 127.55 2qrt s GLU 32 Ca 0.06 2.46 0.00 0.00 0.36 0.00 0.00 54.97 57.85 2qrt s GLU 32 Cb -0.15 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.93 2qrt s GLU 32 CO 0.05 -0.71 0.00 1.97 -0.54 0.00 0.00 175.26 176.03 2qrt n PHE 33 N 4.62 0.00 -3.78 5.30 -1.74 0.53 -4.29 117.46 118.09 2qrt n PHE 33 Ca 0.15 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.93 2qrt n PHE 33 Cb 0.38 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.30 2qrt n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2qrt s VAL 34 N -1.30 0.09 -0.24 1.97 -7.23 -1.21 -0.68 120.40 111.81 2qrt s VAL 34 Ca 0.00 -0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 59.22 2qrt s VAL 34 Cb 0.00 -0.96 0.07 0.00 0.56 0.00 0.00 36.38 36.04 2qrt s VAL 34 CO 0.00 -0.42 0.61 -0.60 -0.31 0.00 0.00 175.10 174.38 2qrt s ARG 35 N -2.67 0.67 -0.11 4.82 3.52 -0.78 -1.03 118.95 123.38 2qrt s ARG 35 Ca -0.04 0.95 0.03 0.00 -0.13 0.00 0.00 55.73 56.54 2qrt s ARG 35 Cb -0.00 0.25 0.01 0.00 -1.56 0.00 0.00 34.95 33.64 2qrt s ARG 35 CO -0.04 -0.11 -0.21 0.12 -0.81 0.00 0.00 175.30 174.25 2qrt s PHE 36 N 0.81 2.37 -0.17 5.12 5.36 0.21 -1.23 117.98 130.46 2qrt s PHE 36 Ca -0.04 -1.05 -0.02 0.00 -0.96 0.00 0.00 56.93 54.87 2qrt s PHE 36 Cb -0.05 -1.62 0.05 0.00 -0.34 0.00 0.00 43.02 41.06 2qrt s PHE 36 CO -0.06 -0.46 0.01 0.34 -1.46 0.00 0.00 175.22 173.58 2qrt s ASP 37 N 0.59 2.70 0.42 6.13 -1.08 -1.26 -1.50 116.67 122.67 2qrt s ASP 37 Ca -0.14 -0.67 0.27 0.00 -0.52 0.00 0.00 52.55 51.49 2qrt s ASP 37 Cb -0.17 -0.66 1.49 0.00 -1.46 0.00 0.00 42.92 42.12 2qrt s ASP 37 CO 0.04 -0.26 1.83 0.77 0.52 0.00 0.00 175.17 178.08 2qrt h SER 38 N 8.22 0.00 0.00 -0.34 4.64 -1.19 -3.36 113.55 121.52 2qrt h SER 38 Ca -0.18 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.88 2qrt h SER 38 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2qrt h SER 38 CO 0.34 0.00 1.52 0.47 -0.87 0.00 0.00 176.83 178.29 2qrt n ASP 39 N -2.47 3.93 -3.87 4.97 9.92 -1.26 -4.76 116.55 123.01 2qrt n ASP 39 Ca -0.02 -2.19 -0.09 0.00 -0.53 0.00 0.00 54.79 51.96 2qrt n ASP 39 Cb 0.06 -0.94 -0.05 0.00 -0.64 0.00 0.00 41.12 39.55 2qrt n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qrt s ALA 40 N 2.87 -0.46 0.21 2.24 0.00 -1.26 -5.03 121.76 120.33 2qrt s ALA 40 Ca 0.37 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.78 2qrt s ALA 40 Cb 0.13 0.89 0.15 0.00 0.00 0.00 0.00 23.12 24.29 2qrt s ALA 40 CO -0.02 -0.75 1.49 0.93 0.00 0.00 0.00 175.76 177.41 2qrt h GLU 41 N 2.35 0.17 -1.73 0.00 4.39 -1.96 -3.32 114.58 114.47 2qrt h GLU 41 Ca -0.29 -0.15 -0.47 0.00 0.34 0.00 0.00 59.36 58.78 2qrt h GLU 41 Cb 1.25 0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 29.52 2qrt h GLU 41 CO 0.41 0.82 -1.08 -1.71 -1.16 0.00 0.00 179.01 176.30 2qrt n ASN 42 N -3.76 1.87 -4.56 1.42 5.15 -1.26 -5.11 115.26 109.01 2qrt n ASN 42 Ca -0.02 -3.09 -0.53 0.00 -0.60 0.00 0.00 54.58 50.33 2qrt n ASN 42 Cb 0.70 -0.57 -0.06 0.00 -0.53 0.00 0.00 39.78 39.31 2qrt n ASN 42 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2qrt n PRO 43 N 0.05 0.82 -3.99 1.20 -0.04 -1.25 -4.98 135.00 126.80 2qrt n PRO 43 Ca 0.23 0.29 -0.08 0.00 -0.04 0.00 0.00 63.50 63.90 2qrt n PRO 43 Cb 0.66 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 2qrt n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2qrt s ARG 44 N 0.22 0.55 0.28 0.54 1.81 -1.26 -5.02 118.95 116.08 2qrt s ARG 44 Ca 0.84 -0.90 -0.29 0.00 -1.72 0.00 0.00 55.73 53.66 2qrt s ARG 44 Cb -1.03 0.20 -0.10 0.00 -0.45 0.00 0.00 34.95 33.58 2qrt s ARG 44 CO 0.50 -0.12 1.32 0.71 -0.68 0.00 0.00 175.30 177.04 2qrt s TYR 45 N -2.89 3.11 0.05 -0.53 1.51 -1.26 -4.51 117.35 112.84 2qrt s TYR 45 Ca -0.03 1.31 0.03 0.00 -1.01 0.00 0.00 57.07 57.38 2qrt s TYR 45 Cb 0.00 -3.67 -0.02 0.00 -0.11 0.00 0.00 41.96 38.16 2qrt s TYR 45 CO -0.06 -1.96 -0.10 -1.21 -1.11 0.00 0.00 175.55 171.11 2qrt s GLU 46 N -1.14 0.66 0.35 -0.62 2.02 -0.37 -4.96 118.70 114.64 2qrt s GLU 46 Ca 0.52 -0.77 -0.27 0.00 0.02 0.00 0.00 54.97 54.47 2qrt s GLU 46 Cb -0.39 -0.55 -0.09 0.00 0.10 0.00 0.00 34.13 33.20 2qrt s GLU 46 CO 0.47 0.12 1.15 -1.25 0.02 0.00 0.00 175.26 175.77 2qrt s PRO 47 N -1.46 4.29 0.00 0.39 0.04 -1.26 -1.87 135.00 135.12 2qrt s PRO 47 Ca -0.05 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2qrt s PRO 47 Cb -0.09 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2qrt s PRO 47 CO 0.01 -0.12 0.34 0.54 0.04 0.00 0.00 177.00 177.81 2qrt n ARG 48 N 0.49 0.96 -4.37 4.56 5.12 0.14 -4.87 116.66 118.69 2qrt n ARG 48 Ca 0.02 -0.34 -0.21 0.00 -1.93 0.00 0.00 57.85 55.40 2qrt n ARG 48 Cb 0.46 -0.82 -0.16 0.00 -1.16 0.00 0.00 32.46 30.77 2qrt n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qrt s ALA 49 N -0.23 0.86 0.60 7.54 0.00 -1.21 -4.76 121.76 124.56 2qrt s ALA 49 Ca 0.00 -0.29 0.30 0.00 0.00 0.00 0.00 51.96 51.97 2qrt s ALA 49 Cb 0.00 -0.36 1.79 0.00 0.00 0.00 0.00 23.12 24.55 2qrt s ALA 49 CO 0.00 0.11 2.20 0.00 0.00 0.00 0.00 175.76 178.07 2qrt h ARG 50 N 6.58 0.00 0.00 0.00 3.08 -1.93 -1.34 114.38 120.77 2qrt h ARG 50 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2qrt h ARG 50 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2qrt h ARG 50 CO 0.48 0.00 0.00 -2.67 -1.07 0.00 0.00 179.97 176.71 2qrt n TRP 51 N -3.78 0.00 1.24 3.04 4.27 -1.26 -2.43 117.44 118.52 2qrt n TRP 51 Ca -0.01 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.73 2qrt n TRP 51 Cb 0.18 -0.27 0.56 0.00 -1.36 0.00 0.00 31.31 30.41 2qrt n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 2qrt n MET 52 N -1.27 0.40 0.00 -2.67 2.81 -0.50 -3.48 117.12 112.41 2qrt n MET 52 Ca 0.10 -0.13 0.07 0.00 -1.81 0.00 0.00 57.70 55.93 2qrt n MET 52 Cb 0.16 -1.50 0.39 0.00 -0.71 0.00 0.00 33.22 31.56 2qrt n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qrt n GLU 53 N -1.19 0.31 0.00 0.03 1.02 -1.02 -1.68 120.64 118.11 2qrt n GLU 53 Ca 0.11 0.09 0.14 0.00 -0.02 0.00 0.00 57.16 57.48 2qrt n GLU 53 Cb 0.30 -1.50 0.65 0.00 -0.02 0.00 0.00 31.44 30.87 2qrt n GLU 53 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2qrt n GLN 54 N -1.16 0.09 -3.34 3.49 6.02 -1.23 -4.74 117.38 116.51 2qrt n GLN 54 Ca 0.09 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.70 2qrt n GLN 54 Cb 0.09 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.79 2qrt n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2qrt s GLU 55 N -2.91 4.23 1.00 -1.09 0.41 -0.68 -5.07 118.70 114.60 2qrt s GLU 55 Ca 0.17 0.49 -0.16 0.00 -0.41 0.00 0.00 54.97 55.06 2qrt s GLU 55 Cb 0.19 -3.36 0.21 0.00 -1.78 0.00 0.00 34.13 29.39 2qrt s GLU 55 CO 0.51 0.34 1.25 0.20 -0.49 0.00 0.00 175.26 177.08 2qrt s GLY 56 N -0.00 1.71 0.44 -1.39 0.00 -1.26 -4.90 107.32 101.91 2qrt s GLY 56 Ca 0.26 -1.06 0.19 0.00 0.00 0.00 0.00 44.72 44.10 2qrt s GLY 56 CO 0.12 -0.30 1.90 -0.56 0.00 0.00 0.00 173.10 174.26 2qrt h PRO 57 N -1.81 0.33 -0.89 2.90 0.13 -1.98 -2.28 132.00 128.40 2qrt h PRO 57 Ca -0.45 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2qrt h PRO 57 Cb 1.26 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2qrt h PRO 57 CO 0.41 0.22 0.50 0.93 -0.23 0.00 0.00 178.00 179.83 2qrt h GLU 58 N 0.34 1.23 0.63 0.86 5.08 -1.99 -1.43 114.58 119.30 2qrt h GLU 58 Ca 0.40 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2qrt h GLU 58 Cb 1.05 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 30.06 2qrt h GLU 58 CO -0.12 0.89 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.56 2qrt h TYR 59 N 1.24 -0.78 -0.68 4.33 3.20 -1.77 -1.07 116.97 121.44 2qrt h TYR 59 Ca 0.31 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.21 2qrt h TYR 59 Cb 0.00 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 2qrt h TYR 59 CO 0.01 -0.48 0.41 -1.49 -1.64 0.00 0.00 178.16 174.97 2qrt h TRP 60 N -0.88 0.76 -0.33 -3.82 4.06 -1.55 0.39 115.95 114.57 2qrt h TRP 60 Ca -0.09 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 2qrt h TRP 60 Cb 0.66 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 2qrt h TRP 60 CO -0.02 0.41 0.21 1.49 -3.56 0.00 0.00 178.44 176.96 2qrt h GLU 61 N 0.78 0.45 -0.45 0.49 4.57 -1.21 0.43 114.58 119.64 2qrt h GLU 61 Ca 0.28 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.34 2qrt h GLU 61 Cb 0.08 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2qrt h GLU 61 CO -0.13 0.33 -0.07 -0.09 -1.18 0.00 0.00 179.01 177.88 2qrt h ARG 62 N 0.44 0.84 -0.38 1.92 2.43 -0.68 -1.70 114.38 117.25 2qrt h ARG 62 Ca 0.12 -0.30 -0.10 0.00 -0.81 0.00 0.00 59.98 58.89 2qrt h ARG 62 Cb -0.00 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2qrt h ARG 62 CO -0.02 0.93 -0.18 0.93 -1.51 0.00 0.00 179.97 180.11 2qrt h GLU 63 N 0.68 0.72 -0.30 0.20 4.39 -0.82 -1.99 114.58 117.46 2qrt h GLU 63 Ca 0.12 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2qrt h GLU 63 Cb 0.59 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2qrt h GLU 63 CO 0.04 0.86 0.06 1.15 -1.16 0.00 0.00 179.01 179.95 2qrt h THR 64 N 0.64 1.23 -0.35 1.13 2.02 -0.75 -1.35 112.91 115.48 2qrt h THR 64 Ca 0.10 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 2qrt h THR 64 Cb 0.67 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2qrt h THR 64 CO 0.05 0.26 -0.18 1.56 0.37 0.00 0.00 175.52 177.57 2qrt h GLN 65 N 0.32 0.64 -0.54 6.66 1.08 -1.21 -1.46 115.11 120.60 2qrt h GLN 65 Ca 0.09 -0.23 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 2qrt h GLN 65 Cb 0.33 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2qrt h GLN 65 CO 0.00 0.79 0.00 -0.22 -0.95 0.00 0.00 178.83 178.46 2qrt h LYS 66 N 0.58 0.93 -0.51 1.46 3.64 -1.26 -1.41 116.57 120.00 2qrt h LYS 66 Ca 0.09 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 2qrt h LYS 66 Cb 0.63 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2qrt h LYS 66 CO 0.04 0.92 0.12 0.00 -2.27 0.00 0.00 179.45 178.26 2qrt h ALA 67 N 1.14 0.67 -0.11 5.00 0.00 -0.78 0.29 119.26 125.47 2qrt h ALA 67 Ca 0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2qrt h ALA 67 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qrt h ALA 67 CO 0.02 0.37 -0.20 0.87 0.00 0.00 0.00 179.25 180.32 2qrt h LYS 68 N 0.70 0.19 -0.14 0.00 1.57 -1.00 0.13 116.57 118.02 2qrt h LYS 68 Ca 0.16 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 2qrt h LYS 68 Cb 0.34 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.63 2qrt h LYS 68 CO 0.00 0.38 -0.49 0.78 -0.57 0.00 0.00 179.45 179.55 2qrt h GLY 69 N 0.82 0.64 1.01 3.86 0.00 -0.83 -3.08 103.07 105.49 2qrt h GLY 69 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2qrt h GLY 69 CO 0.03 0.76 0.55 3.43 0.00 0.00 0.00 176.54 181.30 2qrt h ASN 70 N 0.21 0.99 -1.00 0.19 2.35 -0.49 -2.28 115.58 115.56 2qrt h ASN 70 Ca -0.02 -0.04 0.15 0.00 -0.55 0.00 0.00 56.30 55.84 2qrt h ASN 70 Cb 1.12 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 39.15 2qrt h ASN 70 CO 0.10 0.73 0.62 -0.08 -1.65 0.00 0.00 177.43 177.15 2qrt h GLU 71 N 1.16 0.84 -0.63 0.81 4.81 -0.72 -1.54 114.58 119.30 2qrt h GLU 71 Ca 0.31 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 2qrt h GLU 71 Cb -0.11 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.05 2qrt h GLU 71 CO -0.06 0.56 0.23 0.37 -0.73 0.00 0.00 179.01 179.38 2qrt h GLN 72 N 0.87 0.96 -0.76 1.92 5.75 -1.32 -0.82 115.11 121.71 2qrt h GLN 72 Ca 0.53 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.82 2qrt h GLN 72 Cb 0.70 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 2qrt h GLN 72 CO -0.31 0.83 0.38 1.03 -2.65 0.00 0.00 178.83 178.10 2qrt h SER 73 N 0.90 0.98 0.20 -0.69 0.87 -1.21 -1.92 113.55 112.68 2qrt h SER 73 Ca 0.21 -0.13 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 2qrt h SER 73 Cb 0.24 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2qrt h SER 73 CO -0.01 0.83 -0.47 -0.26 -0.53 0.00 0.00 176.83 176.39 2qrt h PHE 74 N 1.06 0.39 -0.47 2.24 -1.00 -1.15 -0.52 116.94 117.51 2qrt h PHE 74 Ca 0.26 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.92 2qrt h PHE 74 Cb 0.10 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 2qrt h PHE 74 CO 0.01 0.74 0.28 -0.09 -1.61 0.00 0.00 178.31 177.64 2qrt h ARG 75 N 0.26 0.63 -0.24 1.51 2.43 -0.82 0.48 114.38 118.64 2qrt h ARG 75 Ca 0.02 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2qrt h ARG 75 Cb 0.93 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2qrt h ARG 75 CO 0.08 0.47 -0.02 0.28 -1.51 0.00 0.00 179.97 179.27 2qrt h VAL 76 N 0.62 1.27 -0.81 0.20 2.07 -1.14 -2.82 116.25 115.64 2qrt h VAL 76 Ca 0.17 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.75 2qrt h VAL 76 Cb -0.00 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2qrt h VAL 76 CO -0.03 0.30 0.53 0.44 0.02 0.00 0.00 177.57 178.83 2qrt h ASP 77 N 0.19 0.89 -0.88 0.57 3.32 -0.80 -1.09 116.42 118.64 2qrt h ASP 77 Ca 0.07 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.12 2qrt h ASP 77 Cb 0.45 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 2qrt h ASP 77 CO 0.02 0.63 0.58 -0.07 -1.72 0.00 0.00 179.24 178.67 2qrt h LEU 78 N 1.05 0.99 -0.22 1.55 3.38 -0.78 -0.34 115.31 120.94 2qrt h LEU 78 Ca 0.31 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2qrt h LEU 78 Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2qrt h LEU 78 CO -0.08 0.70 0.06 0.03 0.09 0.00 0.00 178.44 179.24 2qrt h ARG 79 N 1.16 0.35 -0.02 1.13 3.08 -0.99 -2.94 114.38 116.15 2qrt h ARG 79 Ca 0.33 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2qrt h ARG 79 Cb -0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2qrt h ARG 79 CO -0.09 0.47 -0.60 1.79 -1.07 0.00 0.00 179.97 180.46 2qrt h THR 80 N 0.18 1.42 -0.34 2.04 1.35 -1.03 -2.93 112.91 113.59 2qrt h THR 80 Ca 0.07 -2.04 -0.06 0.00 -0.55 0.00 0.00 66.41 63.83 2qrt h THR 80 Cb 0.27 2.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 2qrt h THR 80 CO 0.00 0.59 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.74 2qrt h LEU 81 N 0.06 0.53 -0.49 3.87 3.38 -1.05 -1.42 115.31 120.19 2qrt h LEU 81 Ca -0.01 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2qrt h LEU 81 Cb 1.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 2qrt h LEU 81 CO 0.08 0.63 0.21 -0.07 0.09 0.00 0.00 178.44 179.39 2qrt h LEU 82 N 0.52 0.27 -0.39 1.67 3.38 -1.33 -0.21 115.31 119.23 2qrt h LEU 82 Ca 0.10 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2qrt h LEU 82 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2qrt h LEU 82 CO 0.02 0.19 0.06 1.23 0.09 0.00 0.00 178.44 180.02 2qrt h GLY 83 N 0.41 0.69 1.45 0.83 0.00 -1.43 0.70 103.07 105.73 2qrt h GLY 83 Ca 0.22 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2qrt h GLY 83 CO -0.19 0.43 0.25 0.00 0.00 0.00 0.00 176.54 177.02 2qrt n TYR 85 N -4.38 0.71 -3.74 0.00 4.02 -0.14 -0.81 117.16 112.83 2qrt n TYR 85 Ca 0.04 -0.35 -0.25 0.00 -0.01 0.00 0.00 57.90 57.33 2qrt n TYR 85 Cb 0.13 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.47 2qrt n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qrt n ASN 86 N 1.46 -2.43 -4.70 7.72 5.15 -0.24 -4.93 115.26 117.29 2qrt n ASN 86 Ca 0.21 -0.92 -0.29 0.00 -0.60 0.00 0.00 54.58 52.98 2qrt n ASN 86 Cb 0.58 -3.65 -0.08 0.00 -0.53 0.00 0.00 39.78 36.11 2qrt n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2qrt s GLN 87 N -6.05 2.58 0.45 1.20 -0.21 0.07 -5.04 119.66 112.68 2qrt s GLN 87 Ca 0.16 -0.87 -0.25 0.00 0.02 0.00 0.00 55.36 54.43 2qrt s GLN 87 Cb -0.05 -2.54 -0.08 0.00 1.00 0.00 0.00 33.01 31.34 2qrt s GLN 87 CO 0.84 0.52 1.36 0.45 -2.12 0.00 0.00 175.29 176.34 2qrt s SER 88 N -2.49 5.92 0.00 5.90 0.15 -1.26 -4.72 113.70 117.20 2qrt s SER 88 Ca 0.27 2.76 0.19 0.00 0.70 0.00 0.00 55.95 59.87 2qrt s SER 88 Cb -0.11 -2.64 0.83 0.00 -1.71 0.00 0.00 66.02 62.39 2qrt s SER 88 CO 0.19 -1.13 1.59 0.29 1.20 0.00 0.00 173.24 175.38 2qrt n LYS 89 N -0.27 0.07 0.00 5.44 5.02 -1.26 -2.88 118.16 124.28 2qrt n LYS 89 Ca 0.06 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.64 2qrt n LYS 89 Cb 0.43 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.26 2qrt n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qrt n GLY 90 N 0.39 -0.91 3.93 0.72 0.00 -1.26 -4.83 105.19 103.23 2qrt n GLY 90 Ca 0.06 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 2qrt n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qrt s GLY 91 N -2.73 1.51 -0.04 -0.02 0.00 -1.14 -4.68 107.32 100.23 2qrt s GLY 91 Ca 0.18 -0.81 -0.14 0.00 0.00 0.00 0.00 44.72 43.95 2qrt s GLY 91 CO 0.60 -0.74 0.38 -0.45 0.00 0.00 0.00 173.10 172.90 2qrt s SER 92 N -3.74 6.73 0.07 1.64 0.15 -1.26 -4.62 113.70 112.67 2qrt s SER 92 Ca 0.41 0.87 0.01 0.00 0.70 0.00 0.00 55.95 57.93 2qrt s SER 92 Cb -0.10 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2qrt s SER 92 CO 0.34 0.28 -0.05 -1.00 1.20 0.00 0.00 173.24 174.02 2qrt s HIS 93 N -0.79 0.69 -0.01 3.44 3.76 -1.25 -4.95 115.29 116.17 2qrt s HIS 93 Ca 0.22 -0.93 0.05 0.00 -0.15 0.00 0.00 55.06 54.26 2qrt s HIS 93 Cb -0.16 -0.44 -0.01 0.00 1.11 0.00 0.00 32.58 33.08 2qrt s HIS 93 CO 0.11 -0.24 -0.16 0.99 -0.85 0.00 0.00 174.74 174.59 2qrt s THR 94 N -3.46 1.25 -0.07 1.30 2.01 -1.26 -1.22 115.64 114.19 2qrt s THR 94 Ca 0.07 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.43 2qrt s THR 94 Cb 0.04 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 2qrt s THR 94 CO -0.06 0.35 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.38 2qrt s ILE 95 N -0.38 2.44 0.06 1.82 1.01 0.40 -0.19 121.20 126.36 2qrt s ILE 95 Ca 0.06 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.84 2qrt s ILE 95 Cb -0.06 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 2qrt s ILE 95 CO -0.01 0.57 -0.15 -1.10 0.00 0.00 0.00 174.94 174.26 2qrt s GLN 96 N -0.20 0.89 0.01 2.79 -0.21 -0.45 -0.91 119.66 121.57 2qrt s GLN 96 Ca -0.01 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.48 2qrt s GLN 96 Cb -0.13 -0.91 -0.01 0.00 1.00 0.00 0.00 33.01 32.96 2qrt s GLN 96 CO 0.03 0.21 -0.01 0.08 -2.12 0.00 0.00 175.29 173.48 2qrt s VAL 97 N -1.09 0.07 -0.14 1.09 1.01 -0.62 -1.24 120.40 119.47 2qrt s VAL 97 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2qrt s VAL 97 Cb -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.18 2qrt s VAL 97 CO 0.02 -0.18 -0.15 -0.63 0.00 0.00 0.00 175.10 174.16 2qrt s ILE 98 N -0.56 1.58 -0.03 2.22 1.01 -0.38 -0.84 121.20 124.21 2qrt s ILE 98 Ca -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2qrt s ILE 98 Cb -0.04 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.97 2qrt s ILE 98 CO -0.00 0.46 -0.05 -0.55 0.00 0.00 0.00 174.94 174.80 2qrt s SER 99 N 1.38 0.80 0.00 3.58 0.15 -0.25 -1.03 113.70 118.34 2qrt s SER 99 Ca 0.03 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2qrt s SER 99 Cb -0.13 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 2qrt s SER 99 CO -0.09 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2qrt n GLY 100 N 3.65 -1.77 3.10 9.45 0.00 -0.26 0.49 105.19 119.85 2qrt n GLY 100 Ca -0.21 -1.19 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 2qrt n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrt s GLU 102 N -1.67 3.13 0.01 0.00 2.12 0.05 -1.06 118.70 121.28 2qrt s GLU 102 Ca -0.07 -0.82 0.06 0.00 0.36 0.00 0.00 54.97 54.50 2qrt s GLU 102 Cb -0.10 -2.41 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 2qrt s GLU 102 CO 0.01 0.15 -0.20 0.08 -0.54 0.00 0.00 175.26 174.76 2qrt s VAL 103 N 0.44 1.60 0.93 3.70 1.01 0.96 0.34 120.40 129.36 2qrt s VAL 103 Ca -0.15 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 2qrt s VAL 103 Cb -0.17 -1.35 0.16 0.00 0.00 0.00 0.00 36.38 35.02 2qrt s VAL 103 CO 0.06 0.36 1.24 -0.83 0.00 0.00 0.00 175.10 175.93 2qrt s GLY 104 N -0.72 1.68 0.62 4.51 0.00 -0.18 -0.72 107.32 112.50 2qrt s GLY 104 Ca 0.07 -0.92 0.38 0.00 0.00 0.00 0.00 44.72 44.26 2qrt s GLY 104 CO 0.00 -0.25 2.26 1.48 0.00 0.00 0.00 173.10 176.59 2qrt h SER 105 N -1.51 0.00 -0.09 1.64 4.64 -1.52 0.26 113.55 116.97 2qrt h SER 105 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2qrt h SER 105 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2qrt h SER 105 CO 0.50 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.57 2qrt n ASP 106 N -3.28 1.60 0.00 4.97 5.68 -1.26 -4.93 116.55 119.34 2qrt n ASP 106 Ca -0.02 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 2qrt n ASP 106 Cb 0.13 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2qrt n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qrt n GLY 107 N 1.16 0.77 3.84 6.12 0.00 0.08 -5.05 105.19 112.12 2qrt n GLY 107 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2qrt n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qrt s ARG 108 N -0.25 3.99 0.09 1.61 0.52 -1.26 -4.78 118.95 118.86 2qrt s ARG 108 Ca 0.00 0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 55.43 2qrt s ARG 108 Cb 0.00 -2.85 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 2qrt s ARG 108 CO 0.00 0.42 1.60 -1.17 0.02 0.00 0.00 175.30 176.17 2qrt s LEU 109 N -2.16 4.36 -0.20 2.53 2.96 -1.26 -1.01 118.68 123.90 2qrt s LEU 109 Ca 0.41 2.47 -0.06 0.00 -0.22 0.00 0.00 54.13 56.73 2qrt s LEU 109 Cb -0.14 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.77 2qrt s LEU 109 CO 0.20 -0.84 0.04 0.18 -1.32 0.00 0.00 176.35 174.61 2qrt n LEU 110 N 5.14 2.61 -3.58 -0.68 4.77 0.15 -4.89 117.00 120.53 2qrt n LEU 110 Ca 0.15 0.11 -0.17 0.00 -0.03 0.00 0.00 56.01 56.07 2qrt n LEU 110 Cb 0.40 -0.99 -0.07 0.00 -2.33 0.00 0.00 43.42 40.44 2qrt n LEU 110 CO 0.62 0.80 0.34 -0.60 -1.33 0.00 0.00 177.39 177.22 2qrt s ARG 111 N -2.52 0.97 0.04 3.23 3.52 -1.04 -5.00 118.95 118.16 2qrt s ARG 111 Ca -0.30 0.17 0.09 0.00 -0.13 0.00 0.00 55.73 55.57 2qrt s ARG 111 Cb 0.08 0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 33.90 2qrt s ARG 111 CO 0.66 -0.29 -0.25 0.20 -0.81 0.00 0.00 175.30 174.80 2qrt s GLY 112 N -1.18 1.43 -0.02 8.12 0.00 -1.26 -0.77 107.32 113.63 2qrt s GLY 112 Ca -0.11 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.38 2qrt s GLY 112 CO 0.09 -1.15 -0.10 -0.19 0.00 0.00 0.00 173.10 171.74 2qrt s TYR 113 N -0.82 1.03 -0.39 1.90 2.02 0.83 -4.84 117.35 117.08 2qrt s TYR 113 Ca 0.12 -0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.64 2qrt s TYR 113 Cb -0.10 -0.70 0.17 0.00 -0.40 0.00 0.00 41.96 40.92 2qrt s TYR 113 CO 0.02 -0.07 0.50 -1.14 -1.57 0.00 0.00 175.55 173.29 2qrt s GLN 114 N 0.01 0.72 -0.03 -0.62 2.00 -1.24 -1.10 119.66 119.40 2qrt s GLN 114 Ca -0.00 -0.52 0.05 0.00 -2.00 0.00 0.00 55.36 52.89 2qrt s GLN 114 Cb -0.07 -0.30 -0.01 0.00 0.80 0.00 0.00 33.01 33.43 2qrt s GLN 114 CO 0.00 -1.19 -0.18 1.14 -0.50 0.00 0.00 175.29 174.57 2qrt s GLN 115 N 1.69 1.64 0.18 1.67 -2.07 -0.20 -1.46 119.66 121.11 2qrt s GLN 115 Ca 0.16 -0.62 0.10 0.00 -1.82 0.00 0.00 55.36 53.18 2qrt s GLN 115 Cb -0.10 -1.49 -0.04 0.00 -1.09 0.00 0.00 33.01 30.29 2qrt s GLN 115 CO -0.06 0.31 -0.17 0.71 -1.32 0.00 0.00 175.29 174.76 2qrt s TYR 116 N -0.16 2.49 0.01 9.60 1.51 0.48 -1.25 117.35 130.03 2qrt s TYR 116 Ca 0.01 -0.28 -0.00 0.00 -1.01 0.00 0.00 57.07 55.79 2qrt s TYR 116 Cb -0.09 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 2qrt s TYR 116 CO 0.01 0.49 -0.01 0.00 -1.11 0.00 0.00 175.55 174.92 2qrt s ALA 117 N -1.60 0.05 -0.12 3.71 0.00 -0.37 -0.67 121.76 122.75 2qrt s ALA 117 Ca 0.22 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.98 2qrt s ALA 117 Cb -0.09 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2qrt s ALA 117 CO 0.12 -0.06 -0.23 -0.47 0.00 0.00 0.00 175.76 175.12 2qrt s TYR 118 N -0.57 2.62 -1.61 0.00 5.04 -0.14 -1.34 117.35 121.35 2qrt s TYR 118 Ca -0.06 -1.20 -0.15 0.00 -2.44 0.00 0.00 57.07 53.22 2qrt s TYR 118 Cb -0.04 -1.77 0.12 0.00 0.35 0.00 0.00 41.96 40.62 2qrt s TYR 118 CO -0.00 -0.52 0.85 -0.25 -1.34 0.00 0.00 175.55 174.29 2qrt n ASP 119 N 3.81 -3.71 0.00 4.32 8.00 0.74 -1.88 116.55 127.82 2qrt n ASP 119 Ca -0.20 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.39 2qrt n ASP 119 Cb 0.52 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 2qrt n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qrt n GLY 120 N -1.56 0.71 3.27 0.44 0.00 -1.26 -4.30 105.19 102.48 2qrt n GLY 120 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2qrt n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrt n ASP 122 N 2.57 0.62 0.02 0.00 8.00 -1.26 -0.97 116.55 125.53 2qrt n ASP 122 Ca -0.16 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.48 2qrt n ASP 122 Cb 0.52 -1.15 -0.00 0.00 -0.02 0.00 0.00 41.12 40.46 2qrt n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qrt n TYR 123 N 0.76 0.00 -3.72 1.24 9.36 0.15 -4.17 117.16 120.77 2qrt n TYR 123 Ca 0.14 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.23 2qrt n TYR 123 Cb 0.26 -0.06 -0.09 0.00 -0.63 0.00 0.00 39.34 38.81 2qrt n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2qrt s ILE 124 N -1.82 0.03 -0.03 2.97 2.07 -1.18 -0.73 121.20 122.51 2qrt s ILE 124 Ca -0.04 -0.26 -0.08 0.00 -1.41 0.00 0.00 60.65 58.86 2qrt s ILE 124 Cb 0.01 -0.65 0.01 0.00 0.13 0.00 0.00 42.46 41.96 2qrt s ILE 124 CO 0.06 -0.14 0.19 0.00 -1.91 0.00 0.00 174.94 173.13 2qrt s ALA 125 N -0.81 -0.47 -0.04 1.50 0.00 -0.73 -0.39 121.76 120.83 2qrt s ALA 125 Ca -0.09 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.80 2qrt s ALA 125 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 2qrt s ALA 125 CO 0.04 -0.17 0.92 -1.17 0.00 0.00 0.00 175.76 175.38 2qrt s LEU 126 N -0.80 4.33 0.84 0.00 2.96 -0.54 -0.95 118.68 124.53 2qrt s LEU 126 Ca -0.09 1.52 -0.11 0.00 -0.22 0.00 0.00 54.13 55.23 2qrt s LEU 126 Cb -0.05 -3.46 0.09 0.00 0.50 0.00 0.00 46.19 43.28 2qrt s LEU 126 CO 0.01 -0.27 1.09 0.20 -1.32 0.00 0.00 176.35 176.06 2qrt s ASN 127 N 0.99 4.00 0.63 3.68 0.01 0.40 -4.67 114.94 119.99 2qrt s ASN 127 Ca 0.48 1.54 0.34 0.00 -0.71 0.00 0.00 52.86 54.51 2qrt s ASN 127 Cb -0.20 -2.24 1.90 0.00 0.41 0.00 0.00 41.25 41.12 2qrt s ASN 127 CO 0.24 -2.31 2.15 -0.33 -1.51 0.00 0.00 177.10 175.34 2qrt h GLU 128 N -1.32 0.00 0.00 -0.60 5.08 -1.88 -0.13 114.58 115.73 2qrt h GLU 128 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2qrt h GLU 128 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2qrt h GLU 128 CO 0.55 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.16 2qrt n ASP 129 N -3.38 0.00 -1.82 1.42 5.68 -1.26 -4.85 116.55 112.34 2qrt n ASP 129 Ca -0.01 0.25 -0.18 0.00 -0.50 0.00 0.00 54.79 54.35 2qrt n ASP 129 Cb 0.25 -0.39 -0.05 0.00 -1.14 0.00 0.00 41.12 39.78 2qrt n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qrt n LEU 130 N -1.39 -1.44 0.00 -2.12 4.77 -0.06 -4.75 117.00 112.01 2qrt n LEU 130 Ca 0.07 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2qrt n LEU 130 Cb 0.18 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 38.69 2qrt n LEU 130 CO 0.16 -0.69 -0.29 0.29 -1.33 0.00 0.00 177.39 175.52 2qrt n LYS 131 N -2.44 2.34 -4.45 3.23 5.02 -1.26 -4.58 118.16 116.01 2qrt n LYS 131 Ca -0.19 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.85 2qrt n LYS 131 Cb 0.62 -0.79 -0.10 0.00 -0.02 0.00 0.00 35.03 34.74 2qrt n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qrt s THR 132 N -1.55 2.56 0.13 -0.18 -4.23 -1.26 -4.81 115.64 106.30 2qrt s THR 132 Ca 0.00 -2.25 0.09 0.00 -1.18 0.00 0.00 61.69 58.35 2qrt s THR 132 Cb 0.00 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 2qrt s THR 132 CO 0.00 -0.33 -0.16 0.26 -0.54 0.00 0.00 174.62 173.86 2qrt s TRP 133 N -2.51 2.57 -0.24 3.99 0.52 -1.26 -0.45 118.94 121.55 2qrt s TRP 133 Ca 0.31 -0.25 0.00 0.00 0.02 0.00 0.00 56.10 56.19 2qrt s TRP 133 Cb -0.03 -1.33 0.03 0.00 -1.15 0.00 0.00 33.47 30.99 2qrt s TRP 133 CO 0.16 0.42 -0.10 0.99 0.02 0.00 0.00 176.95 178.44 2qrt s THR 134 N -1.30 2.50 -0.06 2.01 2.01 -0.12 -4.89 115.64 115.79 2qrt s THR 134 Ca 0.20 -1.18 -0.13 0.00 0.31 0.00 0.00 61.69 60.88 2qrt s THR 134 Cb -0.10 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 2qrt s THR 134 CO 0.12 0.20 0.34 0.00 -0.69 0.00 0.00 174.62 174.59 2qrt s ALA 135 N 1.25 3.69 -0.15 7.40 0.00 -1.26 -1.77 121.76 130.92 2qrt s ALA 135 Ca -0.01 -0.34 0.18 0.00 0.00 0.00 0.00 51.96 51.78 2qrt s ALA 135 Cb -0.17 -2.33 -0.08 0.00 0.00 0.00 0.00 23.12 20.54 2qrt s ALA 135 CO -0.06 0.39 0.95 0.00 0.00 0.00 0.00 175.76 177.04 2qrt h ALA 136 N 5.31 0.63 -3.94 0.00 0.00 -1.20 -3.47 119.26 116.60 2qrt h ALA 136 Ca -0.49 -0.64 -0.26 0.00 0.00 0.00 0.00 54.91 53.51 2qrt h ALA 136 Cb 1.21 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 2qrt h ALA 136 CO 0.65 0.71 -0.18 -0.40 0.00 0.00 0.00 179.25 180.02 2qrt n ASP 137 N -2.90 -0.96 0.13 0.00 5.68 -1.26 -4.92 116.55 112.33 2qrt n ASP 137 Ca -0.06 -2.58 0.02 0.00 -0.50 0.00 0.00 54.79 51.67 2qrt n ASP 137 Cb 0.77 1.86 0.38 0.00 -1.14 0.00 0.00 41.12 42.99 2qrt n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2qrt h MET 138 N 0.00 0.19 -0.42 0.11 2.86 -1.87 -2.38 114.93 113.42 2qrt h MET 138 Ca -0.21 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 2qrt h MET 138 Cb 0.95 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2qrt h MET 138 CO 0.29 0.38 0.13 0.00 1.06 0.00 0.00 176.91 178.77 2qrt h ALA 139 N 1.63 0.56 0.00 6.32 0.00 -1.73 -2.56 119.26 123.47 2qrt h ALA 139 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2qrt h ALA 139 Cb 0.45 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qrt h ALA 139 CO 0.03 0.21 -0.11 0.00 0.00 0.00 0.00 179.25 179.38 2qrt h ALA 140 N 0.98 1.18 -0.46 0.00 0.00 -1.75 -2.51 119.26 116.69 2qrt h ALA 140 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2qrt h ALA 140 Cb 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2qrt h ALA 140 CO -0.00 0.14 0.14 -0.07 0.00 0.00 0.00 179.25 179.46 2qrt h LEU 141 N 0.00 0.61 -0.35 0.00 3.38 -1.00 -0.46 115.31 117.49 2qrt h LEU 141 Ca -0.00 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 2qrt h LEU 141 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qrt h LEU 141 CO 0.01 0.59 -0.35 0.40 0.09 0.00 0.00 178.44 179.18 2qrt h ILE 142 N 0.66 1.28 -0.32 1.22 1.08 -1.50 -2.01 117.51 117.92 2qrt h ILE 142 Ca 0.15 -1.52 0.01 0.00 -0.39 0.00 0.00 64.86 63.12 2qrt h ILE 142 Cb 0.20 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 2qrt h ILE 142 CO -0.01 0.50 0.19 0.74 -0.69 0.00 0.00 178.15 178.88 2qrt h THR 143 N 0.64 1.04 -0.22 -0.27 2.02 -1.44 -1.30 112.91 113.38 2qrt h THR 143 Ca 0.06 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.16 2qrt h THR 143 Cb 0.93 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 2qrt h THR 143 CO 0.09 0.07 -0.13 0.50 0.37 0.00 0.00 175.52 176.42 2qrt h LYS 144 N 0.38 -0.10 -0.57 6.66 3.64 -0.98 0.59 116.57 126.19 2qrt h LYS 144 Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2qrt h LYS 144 Cb -0.00 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2qrt h LYS 144 CO -0.06 -0.07 0.36 0.45 -2.27 0.00 0.00 179.45 177.87 2qrt h HIS 145 N -0.11 0.73 -0.47 1.91 3.86 -1.08 0.23 115.15 120.22 2qrt h HIS 145 Ca 0.12 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2qrt h HIS 145 Cb 0.29 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2qrt h HIS 145 CO -0.29 0.47 0.21 0.87 0.86 0.00 0.00 177.93 180.06 2qrt h LYS 146 N 0.77 0.68 -0.14 2.45 1.57 -0.81 -0.85 116.57 120.23 2qrt h LYS 146 Ca 0.21 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2qrt h LYS 146 Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2qrt h LYS 146 CO -0.04 0.59 -0.40 -1.49 -0.57 0.00 0.00 179.45 177.54 2qrt h TRP 147 N 0.61 0.36 0.05 -1.35 4.06 -0.58 -0.87 115.95 118.24 2qrt h TRP 147 Ca 0.16 -0.10 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 2qrt h TRP 147 Cb 0.14 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 2qrt h TRP 147 CO -0.01 0.66 -0.02 0.93 -3.56 0.00 0.00 178.44 176.45 2qrt h GLU 148 N 0.26 -0.06 0.00 0.49 5.08 -0.21 -0.30 114.58 119.84 2qrt h GLU 148 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2qrt h GLU 148 Cb 0.82 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2qrt h GLU 148 CO 0.06 0.09 -0.20 1.96 -1.00 0.00 0.00 179.01 179.92 2qrt h GLN 149 N -0.21 0.00 -0.01 2.33 1.08 -1.00 -2.83 115.11 114.47 2qrt h GLN 149 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2qrt h GLN 149 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2qrt h GLN 149 CO 0.01 0.20 -0.24 0.00 -0.95 0.00 0.00 178.83 177.85 2qrt n ALA 150 N -2.48 3.05 -2.27 3.87 0.00 -0.34 -4.96 120.51 117.38 2qrt n ALA 150 Ca -0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 2qrt n ALA 150 Cb 0.27 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 2qrt n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qrt n GLY 151 N 1.33 -0.01 0.32 0.00 0.00 -0.27 -4.94 105.19 101.62 2qrt n GLY 151 Ca 0.13 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.71 2qrt n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qrt h GLU 152 N -0.12 0.77 -0.75 1.61 4.57 -1.43 -2.53 114.58 116.70 2qrt h GLU 152 Ca -0.24 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 57.82 2qrt h GLU 152 Cb 1.17 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 2qrt h GLU 152 CO 0.27 0.56 0.28 0.00 -1.18 0.00 0.00 179.01 178.95 2qrt h ALA 153 N 1.56 1.08 -0.34 2.92 0.00 -1.88 -1.19 119.26 121.41 2qrt h ALA 153 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qrt h ALA 153 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2qrt h ALA 153 CO -0.03 0.64 0.22 1.49 0.00 0.00 0.00 179.25 181.57 2qrt h GLU 154 N 1.09 0.46 -0.92 0.00 4.81 -1.72 0.14 114.58 118.45 2qrt h GLU 154 Ca 0.25 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2qrt h GLU 154 Cb 0.24 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2qrt h GLU 154 CO -0.02 0.33 0.58 -0.09 -0.73 0.00 0.00 179.01 179.09 2qrt h ARG 155 N 0.45 1.23 -0.23 1.92 2.43 -1.07 -2.20 114.38 116.90 2qrt h ARG 155 Ca 0.12 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 2qrt h ARG 155 Cb -0.02 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 2qrt h ARG 155 CO -0.02 0.84 -0.54 -0.07 -1.51 0.00 0.00 179.97 178.67 2qrt h LEU 156 N 1.26 0.77 -0.59 3.80 3.38 -0.79 -2.66 115.31 120.48 2qrt h LEU 156 Ca 0.33 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2qrt h LEU 156 Cb -0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2qrt h LEU 156 CO -0.07 1.15 0.36 -0.09 0.09 0.00 0.00 178.44 179.88 2qrt h ARG 157 N 0.53 0.69 -0.58 1.13 2.43 -0.34 0.21 114.38 118.46 2qrt h ARG 157 Ca 0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2qrt h ARG 157 Cb 1.10 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 2qrt h ARG 157 CO 0.11 0.46 0.33 0.00 -1.51 0.00 0.00 179.97 179.35 2qrt h ALA 158 N 1.25 0.74 -0.11 2.80 0.00 -1.36 0.18 119.26 122.76 2qrt h ALA 158 Ca 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2qrt h ALA 158 Cb 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qrt h ALA 158 CO -0.10 0.24 0.02 -0.92 0.00 0.00 0.00 179.25 178.50 2qrt h TYR 159 N 0.78 0.19 -0.72 0.00 3.20 -1.07 -1.94 116.97 117.39 2qrt h TYR 159 Ca 0.20 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2qrt h TYR 159 Cb 0.02 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2qrt h TYR 159 CO -0.02 0.36 0.30 -0.07 -1.64 0.00 0.00 178.16 177.09 2qrt h LEU 160 N -0.04 0.99 0.00 2.82 3.38 -0.38 0.31 115.31 122.39 2qrt h LEU 160 Ca 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2qrt h LEU 160 Cb 0.27 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qrt h LEU 160 CO 0.00 0.89 -0.28 -0.33 0.09 0.00 0.00 178.44 178.82 2qrt h GLU 161 N 1.04 0.00 0.00 1.13 5.08 -1.00 -3.34 114.58 117.48 2qrt h GLU 161 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2qrt h GLU 161 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qrt h GLU 161 CO -0.02 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 2qrt n GLY 162 N 1.13 0.29 0.32 -3.84 0.00 -0.73 -4.66 105.19 97.70 2qrt n GLY 162 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 2qrt n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qrt h THR 163 N 0.00 0.16 -0.21 2.61 2.02 -1.57 0.55 112.91 116.46 2qrt h THR 163 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qrt h THR 163 Cb 0.00 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2qrt h THR 163 CO 0.00 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.02 2qrt h VAL 165 N 0.26 1.25 -0.60 0.00 2.07 -1.46 -0.66 116.25 117.12 2qrt h VAL 165 Ca 0.07 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2qrt h VAL 165 Cb 0.00 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2qrt h VAL 165 CO -0.01 0.34 0.31 -0.33 0.02 0.00 0.00 177.57 177.90 2qrt h GLU 166 N 0.73 0.85 -0.33 1.57 5.08 -0.78 -1.34 114.58 120.37 2qrt h GLU 166 Ca 0.15 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 2qrt h GLU 166 Cb 0.42 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2qrt h GLU 166 CO 0.01 0.67 -0.43 -1.49 -1.00 0.00 0.00 179.01 176.77 2qrt h TRP 167 N 0.82 1.02 -0.87 4.33 4.06 -1.06 -2.51 115.95 121.73 2qrt h TRP 167 Ca 0.21 -0.32 0.04 0.00 2.06 0.00 0.00 58.89 60.88 2qrt h TRP 167 Cb 0.08 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 27.98 2qrt h TRP 167 CO -0.01 1.12 0.56 1.25 -3.56 0.00 0.00 178.44 177.80 2qrt h LEU 168 N 0.68 0.92 -0.32 -4.49 5.85 -0.78 0.21 115.31 117.38 2qrt h LEU 168 Ca 0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2qrt h LEU 168 Cb 1.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2qrt h LEU 168 CO 0.10 0.63 0.21 0.03 -0.34 0.00 0.00 178.44 179.06 2qrt h ARG 169 N 1.07 0.42 -0.40 1.25 3.08 -1.11 0.90 114.38 119.60 2qrt h ARG 169 Ca 0.35 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.40 2qrt h ARG 169 Cb 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2qrt h ARG 169 CO -0.13 0.28 0.22 -0.09 -1.07 0.00 0.00 179.97 179.18 2qrt h ARG 170 N 0.43 0.43 -0.56 0.04 2.43 -0.94 -0.92 114.38 115.29 2qrt h ARG 170 Ca 0.12 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2qrt h ARG 170 Cb -0.05 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2qrt h ARG 170 CO -0.02 0.28 0.10 1.88 -1.51 0.00 0.00 179.97 180.70 2qrt h TYR 171 N 0.44 0.97 -0.59 2.20 0.05 -0.69 -1.21 116.97 118.15 2qrt h TYR 171 Ca 0.16 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2qrt h TYR 171 Cb 0.04 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 2qrt h TYR 171 CO -0.09 0.85 0.34 -0.07 -1.05 0.00 0.00 178.16 178.14 2qrt h LEU 172 N 0.81 0.70 0.02 3.88 3.38 -0.44 -1.43 115.31 122.24 2qrt h LEU 172 Ca 0.17 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qrt h LEU 172 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qrt h LEU 172 CO 0.01 0.55 -0.01 0.11 0.09 0.00 0.00 178.44 179.19 2qrt h LYS 173 N 0.81 -0.03 -0.57 1.13 1.57 -0.74 0.58 116.57 119.31 2qrt h LYS 173 Ca 0.21 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.11 2qrt h LYS 173 Cb -0.01 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 2qrt h LYS 173 CO -0.04 0.25 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.13 2qrt h ASN 174 N -0.31 -0.36 -0.03 0.86 2.35 -0.62 -2.88 115.58 114.59 2qrt h ASN 174 Ca -0.00 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2qrt h ASN 174 Cb 0.30 0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2qrt h ASN 174 CO 0.01 -0.14 -0.05 0.61 -1.65 0.00 0.00 177.43 176.20 2qrt n GLY 175 N -1.37 0.75 0.00 2.83 0.00 -0.59 -4.87 105.19 101.93 2qrt n GLY 175 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2qrt n GLY 175 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qrt n ASN 176 N 1.11 0.00 -0.35 1.61 6.94 0.19 0.02 115.26 124.78 2qrt n ASN 176 Ca 0.13 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.73 2qrt n ASN 176 Cb 0.55 0.00 0.20 0.00 -2.36 0.00 0.00 39.78 38.17 2qrt n ASN 176 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qrt h ALA 177 N 0.00 1.39 -0.78 -2.53 0.00 -1.89 -1.57 119.26 113.89 2qrt h ALA 177 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2qrt h ALA 177 Cb 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.49 2qrt h ALA 177 CO 0.00 0.25 0.36 1.15 0.00 0.00 0.00 179.25 181.01 2qrt h THR 178 N 0.99 0.72 0.00 0.00 2.02 -0.81 -1.46 112.91 114.38 2qrt h THR 178 Ca 0.45 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.45 2qrt h THR 178 Cb 0.37 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2qrt h THR 178 CO -0.24 0.10 0.00 0.18 0.37 0.00 0.00 175.52 175.93 2qrt n LEU 179 N -4.93 0.26 -0.32 2.58 4.77 -0.60 -2.93 117.00 115.83 2qrt n LEU 179 Ca 0.15 0.56 0.03 0.00 -0.03 0.00 0.00 56.01 56.71 2qrt n LEU 179 Cb 0.39 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2qrt n LEU 179 CO 0.21 -0.32 0.52 0.18 -1.33 0.00 0.00 177.39 176.64 2qrt n LEU 180 N -1.78 2.26 -4.76 2.23 4.32 -0.58 -5.05 117.00 113.64 2qrt n LEU 180 Ca 0.04 -1.76 -0.35 0.00 -0.02 0.00 0.00 56.01 53.91 2qrt n LEU 180 Cb 0.22 -0.10 0.02 0.00 -1.62 0.00 0.00 43.42 41.94 2qrt n LEU 180 CO 0.18 0.55 0.81 0.00 -1.22 0.00 0.00 177.39 177.71 2qrt s ARG 181 N -0.88 3.15 0.03 3.23 1.70 -0.99 -5.06 118.95 120.14 2qrt s ARG 181 Ca 0.11 1.72 0.00 0.00 -0.47 0.00 0.00 55.73 57.09 2qrt s ARG 181 Cb 0.06 -1.97 -0.03 0.00 -0.57 0.00 0.00 34.95 32.45 2qrt s ARG 181 CO 0.08 -1.03 -0.04 0.95 -1.08 0.00 0.00 175.30 174.18 2qrt s THR 182 N -1.69 0.24 -0.13 4.99 -4.23 -1.26 -4.54 115.64 109.02 2qrt s THR 182 Ca 0.75 -1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.11 2qrt s THR 182 Cb -0.27 -0.60 0.04 0.00 1.34 0.00 0.00 72.50 73.01 2qrt s THR 182 CO 0.30 -0.57 -0.02 -1.81 -0.54 0.00 0.00 174.62 171.98 2qrt s ASP 183 N -1.79 2.28 0.52 3.99 1.01 0.33 -4.95 116.67 118.07 2qrt s ASP 183 Ca -0.10 -0.42 -0.20 0.00 0.71 0.00 0.00 52.55 52.54 2qrt s ASP 183 Cb -0.06 -0.67 -0.06 0.00 1.01 0.00 0.00 42.92 43.13 2qrt s ASP 183 CO -0.02 -0.20 1.12 -0.44 0.21 0.00 0.00 175.17 175.84 2qrt s SER 184 N 1.81 5.86 0.45 0.27 0.01 -1.26 -1.26 113.70 119.59 2qrt s SER 184 Ca 0.03 2.16 -0.22 0.00 1.31 0.00 0.00 55.95 59.23 2qrt s SER 184 Cb -0.14 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 2qrt s SER 184 CO -0.07 -1.12 1.05 -2.16 0.41 0.00 0.00 173.24 171.35 2qrt s PRO 185 N -3.19 3.92 -0.22 12.44 0.04 -1.26 -4.39 135.00 142.33 2qrt s PRO 185 Ca 0.71 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 63.12 2qrt s PRO 185 Cb -0.24 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 2qrt s PRO 185 CO 0.27 -0.34 0.06 0.15 0.04 0.00 0.00 177.00 177.18 2qrt s LYS 186 N -2.94 3.74 0.20 4.56 1.02 -0.14 -4.89 119.74 121.29 2qrt s LYS 186 Ca 0.64 -0.44 0.11 0.00 0.02 0.00 0.00 55.97 56.30 2qrt s LYS 186 Cb -0.19 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 2qrt s LYS 186 CO 0.23 -0.03 -0.24 0.00 -0.92 0.00 0.00 175.35 174.40 2qrt s ALA 187 N 1.19 2.53 0.07 5.17 0.00 -1.26 -0.98 121.76 128.48 2qrt s ALA 187 Ca 0.04 -1.65 -0.26 0.00 0.00 0.00 0.00 51.96 50.09 2qrt s ALA 187 Cb -0.14 -0.32 0.09 0.00 0.00 0.00 0.00 23.12 22.74 2qrt s ALA 187 CO 0.03 0.41 0.75 -3.38 0.00 0.00 0.00 175.76 173.57 2qrt s HIS 188 N -1.75 -0.45 -0.10 0.00 -3.43 -0.93 -4.99 115.29 103.64 2qrt s HIS 188 Ca 0.21 0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 2qrt s HIS 188 Cb -0.08 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.59 2qrt s HIS 188 CO 0.10 -0.68 -0.10 0.08 -2.00 0.00 0.00 174.74 172.13 2qrt s VAL 189 N -3.30 3.36 0.19 -5.38 1.01 -1.26 -0.10 120.40 114.92 2qrt s VAL 189 Ca 0.02 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2qrt s VAL 189 Cb -0.01 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2qrt s VAL 189 CO -0.10 0.55 -0.01 0.42 0.00 0.00 0.00 175.10 175.96 2qrt s THR 190 N -0.18 3.61 -0.13 3.92 -4.23 0.09 -4.76 115.64 113.96 2qrt s THR 190 Ca 0.01 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2qrt s THR 190 Cb -0.13 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 2qrt s THR 190 CO 0.03 -0.14 -0.16 -2.28 -0.54 0.00 0.00 174.62 171.52 2qrt s HIS 191 N -1.80 2.75 -0.01 3.99 2.46 -1.26 -1.14 115.29 120.28 2qrt s HIS 191 Ca 0.27 -0.80 0.02 0.00 0.47 0.00 0.00 55.06 55.03 2qrt s HIS 191 Cb -0.09 -1.82 -0.00 0.00 -0.13 0.00 0.00 32.58 30.54 2qrt s HIS 191 CO 0.18 -0.30 -0.06 -1.01 -2.47 0.00 0.00 174.74 171.08 2qrt s HIS 192 N 0.41 0.55 0.78 3.88 3.76 -0.14 -4.99 115.29 119.55 2qrt s HIS 192 Ca -0.12 -0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.57 2qrt s HIS 192 Cb -0.16 -0.36 0.06 0.00 1.11 0.00 0.00 32.58 33.23 2qrt s HIS 192 CO 0.06 -0.02 1.09 -1.54 -0.85 0.00 0.00 174.74 173.48 2qrt s SER 193 N -0.09 4.48 0.16 1.40 1.04 -1.26 0.32 113.70 119.74 2qrt s SER 193 Ca 0.02 1.66 -0.06 0.00 0.48 0.00 0.00 55.95 58.05 2qrt s SER 193 Cb -0.03 -2.39 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 2qrt s SER 193 CO -0.00 -2.03 0.20 -0.13 0.98 0.00 0.00 173.24 172.26 2qrt s ARG 194 N -4.97 1.08 0.55 4.02 0.52 -1.12 -4.61 118.95 114.43 2qrt s ARG 194 Ca 0.61 -1.30 -0.22 0.00 -0.52 0.00 0.00 55.73 54.31 2qrt s ARG 194 Cb -0.16 0.32 -0.05 0.00 0.52 0.00 0.00 34.95 35.58 2qrt s ARG 194 CO 0.56 -0.37 1.34 -2.14 0.02 0.00 0.00 175.30 174.72 2qrt s PRO 195 N -4.01 3.13 5.32 3.54 0.02 -1.26 -4.46 135.00 137.29 2qrt s PRO 195 Ca 0.21 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2qrt s PRO 195 Cb 0.05 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.33 2qrt s PRO 195 CO 0.01 -1.18 0.00 0.39 -0.33 0.00 0.00 177.00 175.89 2qrt n GLU 196 N -1.06 0.00 -0.41 5.54 1.02 -1.26 -3.46 120.64 121.01 2qrt n GLU 196 Ca 0.11 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 2qrt n GLU 196 Cb 0.45 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.91 2qrt n GLU 196 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2qrt n ASP 197 N 0.01 3.83 -4.53 1.62 5.75 -1.26 -4.91 116.55 117.06 2qrt n ASP 197 Ca 0.00 -2.50 -0.24 0.00 -0.01 0.00 0.00 54.79 52.03 2qrt n ASP 197 Cb 0.00 -0.70 -0.10 0.00 -1.03 0.00 0.00 41.12 39.29 2qrt n ASP 197 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2qrt s LYS 198 N -0.90 1.84 0.04 0.11 -0.14 -1.22 -1.18 119.74 118.28 2qrt s LYS 198 Ca 0.15 -1.75 -0.09 0.00 -1.36 0.00 0.00 55.97 52.93 2qrt s LYS 198 Cb 0.13 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.45 2qrt s LYS 198 CO 0.02 0.28 0.19 0.14 -0.76 0.00 0.00 175.35 175.22 2qrt s VAL 199 N -2.50 0.11 -0.17 3.17 -7.23 -0.20 -2.78 120.40 110.80 2qrt s VAL 199 Ca 0.31 -0.90 -0.05 0.00 -1.81 0.00 0.00 61.98 59.53 2qrt s VAL 199 Cb -0.03 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 2qrt s VAL 199 CO 0.16 -0.50 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.56 2qrt s THR 200 N -2.55 4.10 -0.19 5.32 2.01 0.15 -0.81 115.64 123.67 2qrt s THR 200 Ca -0.05 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.62 2qrt s THR 200 Cb -0.01 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 2qrt s THR 200 CO -0.04 0.47 0.01 -0.76 -0.69 0.00 0.00 174.62 173.61 2qrt s LEU 201 N 0.56 3.43 -0.17 4.42 1.43 -0.43 -0.96 118.68 126.96 2qrt s LEU 201 Ca -0.01 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2qrt s LEU 201 Cb -0.14 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.24 2qrt s LEU 201 CO 0.02 0.12 -0.19 -0.60 0.23 0.00 0.00 176.35 175.93 2qrt s ARG 202 N 0.67 2.84 -0.26 1.70 3.52 -0.29 -1.44 118.95 125.69 2qrt s ARG 202 Ca 0.00 -0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 54.66 2qrt s ARG 202 Cb -0.14 -2.45 -0.03 0.00 -1.56 0.00 0.00 34.95 30.77 2qrt s ARG 202 CO 0.02 -0.19 0.47 0.00 -0.81 0.00 0.00 175.30 174.79 2qrt s TRP 204 N 2.22 3.39 -0.15 0.00 0.52 0.86 -1.36 118.94 124.43 2qrt s TRP 204 Ca 0.19 0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.67 2qrt s TRP 204 Cb -0.16 -1.89 0.03 0.00 -1.15 0.00 0.00 33.47 30.30 2qrt s TRP 204 CO 0.09 0.58 -0.11 0.00 0.02 0.00 0.00 176.95 177.53 2qrt s ALA 205 N -0.84 1.69 0.14 0.98 0.00 -0.10 -2.20 121.76 121.43 2qrt s ALA 205 Ca 0.13 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2qrt s ALA 205 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2qrt s ALA 205 CO 0.03 -0.50 -0.14 -0.51 0.00 0.00 0.00 175.76 174.64 2qrt s LEU 206 N 1.55 2.45 -1.56 0.00 1.43 -0.15 -1.64 118.68 120.77 2qrt s LEU 206 Ca 0.04 -0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 52.25 2qrt s LEU 206 Cb -0.13 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.52 2qrt s LEU 206 CO -0.09 -0.17 0.07 0.61 0.23 0.00 0.00 176.35 177.00 2qrt n GLY 207 N 0.25 -0.39 3.88 -3.19 0.00 -1.08 -0.97 105.19 103.69 2qrt n GLY 207 Ca -0.13 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 2qrt n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qrt s PHE 208 N -2.95 3.28 -0.25 1.61 -0.71 -1.16 -4.59 117.98 113.22 2qrt s PHE 208 Ca 0.03 -0.03 -0.18 0.00 -1.04 0.00 0.00 56.93 55.71 2qrt s PHE 208 Cb -0.01 -1.51 0.07 0.00 -1.21 0.00 0.00 43.02 40.35 2qrt s PHE 208 CO 0.04 0.50 0.63 -0.47 -1.34 0.00 0.00 175.22 174.58 2qrt s TYR 209 N -1.95 -0.83 0.83 3.49 5.04 -0.39 -0.66 117.35 122.88 2qrt s TYR 209 Ca 0.33 1.82 -0.14 0.00 -2.44 0.00 0.00 57.07 56.64 2qrt s TYR 209 Cb -0.09 0.39 0.20 0.00 0.35 0.00 0.00 41.96 42.81 2qrt s TYR 209 CO 0.26 -0.41 0.88 -0.35 -1.34 0.00 0.00 175.55 174.60 2qrt n PRO 210 N 3.52 -1.89 0.19 4.97 -0.04 -1.26 -0.51 135.00 139.97 2qrt n PRO 210 Ca -0.17 -1.39 0.03 0.00 -0.04 0.00 0.00 63.50 61.93 2qrt n PRO 210 Cb 0.57 -1.12 0.41 0.00 -0.04 0.00 0.00 33.50 33.31 2qrt n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qrt h ALA 211 N -2.25 1.50 -2.35 0.55 0.00 -1.96 -3.45 119.26 111.31 2qrt h ALA 211 Ca -0.31 -0.26 -0.56 0.00 0.00 0.00 0.00 54.91 53.77 2qrt h ALA 211 Cb 0.90 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.69 2qrt h ALA 211 CO 0.21 0.37 1.00 -0.25 0.00 0.00 0.00 179.25 180.58 2qrt n ASP 212 N -4.20 3.61 -3.44 0.00 8.00 -1.26 -4.96 116.55 114.31 2qrt n ASP 212 Ca -0.02 1.02 -0.12 0.00 0.71 0.00 0.00 54.79 56.38 2qrt n ASP 212 Cb 0.33 -1.48 -0.02 0.00 -0.02 0.00 0.00 41.12 39.93 2qrt n ASP 212 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2qrt s ILE 213 N 2.23 0.00 -0.04 0.53 2.07 -1.26 -4.68 121.20 120.05 2qrt s ILE 213 Ca 0.82 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.07 2qrt s ILE 213 Cb -0.59 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.02 2qrt s ILE 213 CO 0.40 0.00 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.51 2qrt s THR 214 N -3.40 0.41 -0.07 4.00 2.01 -0.69 -5.00 115.64 112.90 2qrt s THR 214 Ca -0.00 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.00 2qrt s THR 214 Cb -0.01 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 2qrt s THR 214 CO -0.10 0.19 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.03 2qrt s LEU 215 N 0.93 2.13 0.05 4.42 1.43 -1.26 -0.74 118.68 125.64 2qrt s LEU 215 Ca -0.11 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2qrt s LEU 215 Cb -0.14 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2qrt s LEU 215 CO -0.00 0.23 -0.04 0.42 0.23 0.00 0.00 176.35 177.19 2qrt s THR 216 N -0.07 0.30 -0.06 5.49 -4.23 -0.37 -4.98 115.64 111.72 2qrt s THR 216 Ca -0.06 -1.66 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 2qrt s THR 216 Cb -0.15 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.37 2qrt s THR 216 CO 0.05 -0.87 -0.24 0.26 -0.54 0.00 0.00 174.62 173.27 2qrt s TRP 217 N -3.38 2.46 0.04 3.99 0.52 -1.26 -0.49 118.94 120.81 2qrt s TRP 217 Ca 0.04 -0.70 0.08 0.00 0.02 0.00 0.00 56.10 55.53 2qrt s TRP 217 Cb 0.04 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.73 2qrt s TRP 217 CO -0.07 -0.20 -0.22 -0.65 0.02 0.00 0.00 176.95 175.83 2qrt s GLN 218 N -0.17 1.53 -0.29 4.98 -0.21 -0.04 -0.51 119.66 124.94 2qrt s GLN 218 Ca -0.03 -0.96 -0.01 0.00 0.02 0.00 0.00 55.36 54.38 2qrt s GLN 218 Cb -0.14 -1.64 0.05 0.00 1.00 0.00 0.00 33.01 32.29 2qrt s GLN 218 CO 0.04 0.42 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.44 2qrt s LEU 219 N -1.11 3.81 -0.70 2.90 2.96 -0.45 -1.45 118.68 124.65 2qrt s LEU 219 Ca 0.09 -1.28 -0.00 0.00 -0.22 0.00 0.00 54.13 52.71 2qrt s LEU 219 Cb -0.09 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.91 2qrt s LEU 219 CO 0.02 -0.25 0.51 0.59 -1.32 0.00 0.00 176.35 175.90 2qrt n ASN 220 N 4.60 -4.04 0.00 3.68 3.02 -1.20 -2.47 115.26 118.85 2qrt n ASN 220 Ca -0.13 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 2qrt n ASN 220 Cb 0.43 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 2qrt n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrt n GLY 221 N -1.46 2.68 3.47 7.41 0.00 -1.26 -5.03 105.19 111.00 2qrt n GLY 221 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2qrt n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qrt s GLU 222 N -0.11 2.46 0.03 1.61 2.12 -1.03 -5.08 118.70 118.70 2qrt s GLU 222 Ca 0.00 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 2qrt s GLU 222 Cb 0.00 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 2qrt s GLU 222 CO 0.00 0.62 0.98 -1.21 -0.54 0.00 0.00 175.26 175.11 2qrt s GLU 223 N -0.77 4.59 -0.07 4.30 2.02 -1.26 -1.34 118.70 126.17 2qrt s GLU 223 Ca 0.12 1.44 -0.22 0.00 0.02 0.00 0.00 54.97 56.33 2qrt s GLU 223 Cb -0.11 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 2qrt s GLU 223 CO 0.01 0.01 0.64 -0.51 0.02 0.00 0.00 175.26 175.42 2qrt s LEU 224 N 0.77 4.32 -0.08 1.80 1.43 0.34 -4.94 118.68 122.31 2qrt s LEU 224 Ca 0.51 1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 54.65 2qrt s LEU 224 Cb -0.22 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2qrt s LEU 224 CO 0.29 -0.07 -0.15 -0.38 0.23 0.00 0.00 176.35 176.27 2qrt n ILE 225 N 3.66 0.88 -0.11 -0.59 5.41 -1.26 -4.52 119.36 122.82 2qrt n ILE 225 Ca -0.03 -0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.69 2qrt n ILE 225 Cb 0.51 -1.74 -0.03 0.00 -0.71 0.00 0.00 39.64 37.68 2qrt n ILE 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qrt n GLN 226 N -3.64 -0.12 0.14 0.38 6.02 -1.26 -2.72 117.38 116.17 2qrt n GLN 226 Ca -0.17 0.94 0.12 0.00 -0.01 0.00 0.00 57.00 57.88 2qrt n GLN 226 Cb 0.51 -1.39 0.12 0.00 1.02 0.00 0.00 30.24 30.49 2qrt n GLN 226 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2qrt h ASP 227 N 0.00 0.00 -2.85 1.08 1.82 -1.94 -3.48 116.42 111.05 2qrt h ASP 227 Ca 0.04 -0.03 -0.52 0.00 -0.39 0.00 0.00 57.03 56.12 2qrt h ASP 227 Cb 0.11 0.00 0.05 0.00 0.68 0.00 0.00 39.33 40.17 2qrt h ASP 227 CO -0.25 0.02 0.89 -0.32 -1.61 0.00 0.00 179.24 177.97 2qrt s MET 228 N -3.26 4.20 -0.02 0.28 1.75 -1.10 -4.39 119.30 116.77 2qrt s MET 228 Ca 0.04 2.40 0.04 0.00 -1.25 0.00 0.00 55.69 56.91 2qrt s MET 228 Cb 0.09 -3.14 -0.03 0.00 2.84 0.00 0.00 34.83 34.59 2qrt s MET 228 CO 0.72 -0.62 -0.12 -2.00 -0.65 0.00 0.00 175.02 172.36 2qrt s GLU 229 N 1.02 2.46 0.06 4.11 2.12 0.11 -4.95 118.70 123.64 2qrt s GLU 229 Ca 0.70 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 55.29 2qrt s GLU 229 Cb -0.45 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 2qrt s GLU 229 CO 0.32 0.61 -0.05 -0.51 -0.54 0.00 0.00 175.26 175.09 2qrt s LEU 230 N -1.09 2.45 0.14 2.70 1.43 -1.26 -0.20 118.68 122.83 2qrt s LEU 230 Ca 0.14 -0.91 0.09 0.00 -1.03 0.00 0.00 54.13 52.42 2qrt s LEU 230 Cb -0.11 0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.12 2qrt s LEU 230 CO 0.04 -0.48 -0.15 0.68 0.23 0.00 0.00 176.35 176.67 2qrt s VAL 231 N -3.31 2.99 0.48 -1.59 -7.23 -1.12 -5.03 120.40 105.58 2qrt s VAL 231 Ca 0.05 -1.54 -0.23 0.00 -1.81 0.00 0.00 61.98 58.45 2qrt s VAL 231 Cb 0.03 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 2qrt s VAL 231 CO -0.06 0.04 1.29 -1.61 -0.31 0.00 0.00 175.10 174.45 2qrt s GLU 232 N -2.36 3.56 0.32 4.82 0.41 -1.26 -4.59 118.70 119.60 2qrt s GLU 232 Ca 0.20 2.10 -0.29 0.00 -0.41 0.00 0.00 54.97 56.57 2qrt s GLU 232 Cb -0.10 -2.45 -0.12 0.00 -1.78 0.00 0.00 34.13 29.68 2qrt s GLU 232 CO 0.12 -0.81 1.49 2.41 -0.49 0.00 0.00 175.26 177.98 2qrt n THR 233 N -0.52 1.48 -4.10 3.63 -1.04 -1.26 -4.88 114.28 107.59 2qrt n THR 233 Ca 0.07 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.05 61.59 2qrt n THR 233 Cb 0.45 -1.83 -0.11 0.00 -1.82 0.00 0.00 70.33 67.02 2qrt n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qrt s ARG 234 N -1.22 0.63 0.15 -2.82 1.70 -0.50 -4.96 118.95 111.93 2qrt s ARG 234 Ca 0.60 -0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 54.62 2qrt s ARG 234 Cb -0.52 -0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 33.52 2qrt s ARG 234 CO 0.56 0.03 1.08 -1.25 -1.08 0.00 0.00 175.30 174.63 2qrt s PRO 235 N -2.28 4.60 0.46 3.89 0.04 -1.26 -0.40 135.00 140.05 2qrt s PRO 235 Ca -0.03 1.66 0.27 0.00 0.04 0.00 0.00 61.00 62.94 2qrt s PRO 235 Cb -0.05 -3.31 0.79 0.00 0.04 0.00 0.00 34.50 31.97 2qrt s PRO 235 CO -0.01 0.08 1.77 0.00 0.04 0.00 0.00 177.00 178.87 2qrt h ALA 236 N 5.38 1.00 0.00 8.56 0.00 -1.23 -3.47 119.26 129.50 2qrt h ALA 236 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qrt h ALA 236 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qrt h ALA 236 CO 0.73 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2qrt n GLY 237 N 0.66 0.27 0.40 0.00 0.00 -1.26 -4.64 105.19 100.63 2qrt n GLY 237 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2qrt n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qrt n ASP 238 N 0.00 2.79 0.00 1.61 5.68 -1.26 -4.95 116.55 120.43 2qrt n ASP 238 Ca 0.00 -2.51 0.00 0.00 -0.50 0.00 0.00 54.79 51.78 2qrt n ASP 238 Cb 0.00 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 2qrt n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qrt n GLY 239 N -0.46 2.98 3.98 6.12 0.00 -1.26 -5.07 105.19 111.48 2qrt n GLY 239 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2qrt n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qrt s THR 240 N -2.74 2.49 0.32 2.61 -4.23 -1.26 -4.86 115.64 107.96 2qrt s THR 240 Ca 0.00 -1.13 0.07 0.00 -1.18 0.00 0.00 61.69 59.45 2qrt s THR 240 Cb 0.00 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 71.16 2qrt s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 2qrt s PHE 241 N -2.53 2.15 0.06 3.99 0.40 0.16 -0.71 117.98 121.50 2qrt s PHE 241 Ca 0.53 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2qrt s PHE 241 Cb -0.06 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 2qrt s PHE 241 CO 0.33 0.34 -0.06 -0.65 0.70 0.00 0.00 175.22 175.88 2qrt s GLN 242 N -3.72 0.64 -0.13 0.44 -0.21 0.46 -2.63 119.66 114.51 2qrt s GLN 242 Ca 0.32 -1.06 -0.30 0.00 0.02 0.00 0.00 55.36 54.34 2qrt s GLN 242 Cb 0.05 -0.13 0.11 0.00 1.00 0.00 0.00 33.01 34.04 2qrt s GLN 242 CO 0.14 -0.02 0.89 0.21 -2.12 0.00 0.00 175.29 174.39 2qrt s LYS 243 N -2.89 0.75 0.05 2.91 2.20 -0.65 -1.41 119.74 120.70 2qrt s LYS 243 Ca 0.01 0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.82 2qrt s LYS 243 Cb -0.01 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 2qrt s LYS 243 CO -0.04 -0.23 0.02 1.67 -0.36 0.00 0.00 175.35 176.42 2qrt s TRP 244 N -1.05 0.38 -0.01 4.03 1.48 -1.26 -0.93 118.94 121.58 2qrt s TRP 244 Ca -0.05 -0.82 0.00 0.00 -1.06 0.00 0.00 56.10 54.17 2qrt s TRP 244 Cb -0.01 -0.27 0.01 0.00 -1.16 0.00 0.00 33.47 32.04 2qrt s TRP 244 CO 0.04 -0.37 0.01 0.00 -4.06 0.00 0.00 176.95 172.58 2qrt s ALA 245 N -3.27 0.04 0.15 2.67 0.00 -0.46 -2.81 121.76 118.07 2qrt s ALA 245 Ca 0.01 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.14 2qrt s ALA 245 Cb 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2qrt s ALA 245 CO -0.08 -0.04 -0.11 -1.54 0.00 0.00 0.00 175.76 173.99 2qrt s SER 246 N 0.43 1.85 0.02 0.00 1.04 0.71 0.26 113.70 118.01 2qrt s SER 246 Ca -0.04 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.41 2qrt s SER 246 Cb -0.05 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 2qrt s SER 246 CO -0.01 -0.31 -0.04 0.68 0.98 0.00 0.00 173.24 174.54 2qrt s VAL 247 N -3.20 0.22 -0.19 5.02 -7.23 -0.52 -0.71 120.40 113.79 2qrt s VAL 247 Ca 0.16 -0.66 -0.13 0.00 -1.81 0.00 0.00 61.98 59.54 2qrt s VAL 247 Cb 0.02 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.61 2qrt s VAL 247 CO 0.01 -0.28 0.26 -0.69 -0.31 0.00 0.00 175.10 174.09 2qrt s VAL 248 N -0.95 5.31 0.20 1.32 1.01 -1.26 -1.31 120.40 124.72 2qrt s VAL 248 Ca -0.09 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2qrt s VAL 248 Cb -0.07 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2qrt s VAL 248 CO -0.00 0.36 0.03 0.68 0.00 0.00 0.00 175.10 176.17 2qrt s VAL 249 N 0.74 0.66 0.29 2.92 -7.23 0.01 -4.95 120.40 112.84 2qrt s VAL 249 Ca 0.14 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 2qrt s VAL 249 Cb -0.13 -2.28 -0.10 0.00 0.56 0.00 0.00 36.38 34.43 2qrt s VAL 249 CO 0.04 -0.33 1.22 -2.84 -0.31 0.00 0.00 175.10 172.88 2qrt s PRO 250 N -3.95 4.47 0.22 4.82 0.02 -1.26 -1.03 135.00 138.29 2qrt s PRO 250 Ca 0.28 2.03 -0.32 0.00 0.02 0.00 0.00 61.00 63.01 2qrt s PRO 250 Cb 0.06 -3.13 -0.12 0.00 0.02 0.00 0.00 34.50 31.33 2qrt s PRO 250 CO 0.07 -0.03 1.68 -0.11 -0.33 0.00 0.00 177.00 178.28 2qrt n LEU 251 N 1.18 3.95 0.00 -5.54 7.94 -0.32 -1.17 117.00 123.04 2qrt n LEU 251 Ca 0.00 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 2qrt n LEU 251 Cb 0.43 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.82 2qrt n LEU 251 CO 0.57 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.57 2qrt n GLY 252 N 3.54 1.37 0.83 -3.96 0.00 -1.26 -4.90 105.19 100.81 2qrt n GLY 252 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 2qrt n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qrt n LYS 253 N -2.00 2.95 -0.14 1.61 4.76 -0.32 -4.69 118.16 120.34 2qrt n LYS 253 Ca 0.00 -2.59 0.14 0.00 -2.87 0.00 0.00 58.31 52.99 2qrt n LYS 253 Cb 0.00 -1.66 0.50 0.00 -1.84 0.00 0.00 35.03 32.03 2qrt n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2qrt h GLU 254 N 1.93 0.41 0.00 1.97 3.07 -1.91 -1.09 114.58 118.96 2qrt h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2qrt h GLU 254 Cb 1.22 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2qrt h GLU 254 CO 0.15 0.27 0.00 1.04 -1.40 0.00 0.00 179.01 179.08 2qrt n GLN 255 N -4.47 0.57 0.00 2.33 1.13 -1.26 -2.65 117.38 113.03 2qrt n GLN 255 Ca 0.13 0.03 0.13 0.00 -1.94 0.00 0.00 57.00 55.34 2qrt n GLN 255 Cb 0.47 -1.50 0.38 0.00 0.11 0.00 0.00 30.24 29.70 2qrt n GLN 255 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qrt n TYR 256 N -1.09 0.00 -4.59 1.08 4.02 -0.41 -4.91 117.16 111.26 2qrt n TYR 256 Ca 0.15 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.73 2qrt n TYR 256 Cb 0.11 -0.08 -0.12 0.00 -0.02 0.00 0.00 39.34 39.23 2qrt n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2qrt s TYR 257 N -2.35 2.57 0.00 -0.72 1.51 -1.08 -3.21 117.35 114.07 2qrt s TYR 257 Ca 0.28 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 2qrt s TYR 257 Cb 0.20 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.59 2qrt s TYR 257 CO 0.47 0.28 -0.09 0.95 -1.11 0.00 0.00 175.55 176.05 2qrt s THR 258 N -0.97 0.67 -0.11 -0.71 -4.23 -0.53 -4.65 115.64 105.11 2qrt s THR 258 Ca 0.15 -0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 60.14 2qrt s THR 258 Cb -0.11 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 2qrt s THR 258 CO 0.06 0.13 0.17 0.00 -0.54 0.00 0.00 174.62 174.44 2qrt s HIS 260 N -1.04 2.26 -0.16 0.00 3.76 0.36 -0.68 115.29 119.80 2qrt s HIS 260 Ca 0.16 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.25 2qrt s HIS 260 Cb -0.13 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.06 2qrt s HIS 260 CO 0.05 -0.33 -0.20 0.08 -0.85 0.00 0.00 174.74 173.49 2qrt s VAL 261 N 0.26 2.20 -0.18 -0.90 1.01 -0.28 -1.23 120.40 121.29 2qrt s VAL 261 Ca -0.14 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2qrt s VAL 261 Cb -0.16 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2qrt s VAL 261 CO 0.06 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.22 2qrt s TYR 262 N 0.96 2.79 -0.16 5.22 1.51 0.08 -1.50 117.35 126.25 2qrt s TYR 262 Ca -0.03 -1.41 -0.18 0.00 -1.01 0.00 0.00 57.07 54.45 2qrt s TYR 262 Cb -0.15 -1.93 0.05 0.00 -0.11 0.00 0.00 41.96 39.82 2qrt s TYR 262 CO -0.05 -0.69 0.48 -1.58 -1.11 0.00 0.00 175.55 172.61 2qrt s HIS 263 N 1.17 -0.51 0.43 2.71 2.46 -1.26 -1.70 115.29 118.59 2qrt s HIS 263 Ca 0.02 1.20 0.38 0.00 0.47 0.00 0.00 55.06 57.13 2qrt s HIS 263 Cb -0.14 0.19 2.08 0.00 -0.13 0.00 0.00 32.58 34.58 2qrt s HIS 263 CO -0.08 -0.29 2.17 -0.56 -2.47 0.00 0.00 174.74 173.51 2qrt h GLN 264 N 5.08 0.00 0.00 2.88 3.07 -1.95 -1.53 115.11 122.66 2qrt h GLN 264 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.46 2qrt h GLN 264 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 2qrt h GLN 264 CO 0.23 0.00 -0.23 0.41 0.09 0.00 0.00 178.83 179.33 2qrt n GLY 265 N -1.14 -1.54 3.75 0.06 0.00 -1.26 -4.88 105.19 100.18 2qrt n GLY 265 Ca -0.03 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2qrt n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qrt s LEU 266 N -4.03 4.52 0.51 0.99 1.43 -0.58 -4.64 118.68 116.88 2qrt s LEU 266 Ca 0.10 1.60 0.18 0.00 -1.03 0.00 0.00 54.13 54.98 2qrt s LEU 266 Cb 0.14 -3.33 1.26 0.00 0.03 0.00 0.00 46.19 44.29 2qrt s LEU 266 CO 0.63 0.08 2.11 1.55 0.23 0.00 0.00 176.35 180.95 2qrt h PRO 267 N 5.09 0.00 -2.48 1.29 0.13 -1.89 -3.44 132.00 130.70 2qrt h PRO 267 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2qrt h PRO 267 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2qrt h PRO 267 CO 0.69 0.06 0.30 -1.83 -0.23 0.00 0.00 178.00 176.98 2qrt s GLU 268 N -4.86 1.07 0.45 0.86 -1.05 -1.26 -5.15 118.70 108.76 2qrt s GLU 268 Ca -0.05 -0.20 -0.23 0.00 -0.15 0.00 0.00 54.97 54.34 2qrt s GLU 268 Cb 0.16 0.50 -0.10 0.00 -0.44 0.00 0.00 34.13 34.25 2qrt s GLU 268 CO 0.66 -0.43 0.96 -2.30 0.95 0.00 0.00 175.26 175.11 2qrt n PRO 269 N 0.06 1.23 -3.32 -4.83 -0.02 -1.26 -4.97 135.00 121.88 2qrt n PRO 269 Ca -0.15 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.40 2qrt n PRO 269 Cb 0.62 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 2qrt n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qrt s LEU 270 N -0.58 4.46 -0.08 2.45 1.43 -0.56 -4.91 118.68 120.88 2qrt s LEU 270 Ca 0.65 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.95 2qrt s LEU 270 Cb -0.53 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 42.69 2qrt s LEU 270 CO 0.55 0.22 -0.15 0.42 0.23 0.00 0.00 176.35 177.62 2qrt s THR 271 N -1.23 1.35 0.12 5.49 -4.23 -1.26 -1.12 115.64 114.76 2qrt s THR 271 Ca 0.32 -0.60 -0.07 0.00 -1.18 0.00 0.00 61.69 60.16 2qrt s THR 271 Cb -0.18 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 2qrt s THR 271 CO 0.19 0.41 0.19 -1.48 -0.54 0.00 0.00 174.62 173.38 2qrt s LEU 272 N 0.67 1.38 0.16 4.79 2.34 0.15 -4.96 118.68 123.20 2qrt s LEU 272 Ca -0.14 -0.84 -0.01 0.00 0.06 0.00 0.00 54.13 53.21 2qrt s LEU 272 Cb -0.16 0.93 -0.04 0.00 -0.56 0.00 0.00 46.19 46.36 2qrt s LEU 272 CO 0.04 -0.78 0.08 -0.13 -1.06 0.00 0.00 176.35 174.49 2qrt s ARG 273 N -3.93 1.05 0.10 1.48 0.52 -1.26 0.27 118.95 117.17 2qrt s ARG 273 Ca 0.12 -1.52 -0.31 0.00 -0.52 0.00 0.00 55.73 53.50 2qrt s ARG 273 Cb 0.05 0.19 -0.09 0.00 0.52 0.00 0.00 34.95 35.62 2qrt s ARG 273 CO -0.05 -0.29 1.55 -0.46 0.02 0.00 0.00 175.30 176.07 2qrt s TRP 274 N -4.04 2.83 -0.33 -0.53 -0.00 -1.26 -4.72 118.94 110.90 2qrt s TRP 274 Ca 0.29 0.58 0.04 0.00 -0.00 0.00 0.00 56.10 57.01 2qrt s TRP 274 Cb 0.07 -3.88 0.09 0.00 -0.00 0.00 0.00 33.47 29.76 2qrt s TRP 274 CO 0.06 -3.32 0.03 -1.21 -0.00 0.00 0.00 176.95 172.51 2qrt s GLU 275 N 1.82 1.51 0.00 5.86 2.02 -1.26 -4.89 118.70 123.76 2qrt s GLU 275 Ca 0.70 -1.75 0.11 0.00 0.02 0.00 0.00 54.97 54.05 2qrt s GLU 275 Cb -0.40 -3.08 0.63 0.00 0.10 0.00 0.00 34.13 31.38 2qrt s GLU 275 CO 0.31 -0.90 1.07 -0.35 0.02 0.00 0.00 175.26 175.41