#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 3.04 0.72 2.46 2.07 -1.26 -4.82 121.20 123.41 2qrt s ILE 2 Ca 0.00 0.58 -0.11 0.00 -1.41 0.00 0.00 60.65 59.71 2qrt s ILE 2 Cb 0.00 -3.16 0.02 0.00 0.13 0.00 0.00 42.46 39.45 2qrt s ILE 2 CO 0.00 -0.20 1.07 -0.51 -1.91 0.00 0.00 174.94 173.39 2qrt s ILE 3 N -1.94 3.76 -0.17 2.00 2.07 -1.26 -5.00 121.20 120.66 2qrt s ILE 3 Ca 0.72 0.58 -0.22 0.00 -1.41 0.00 0.00 60.65 60.32 2qrt s ILE 3 Cb -0.24 -3.22 -0.03 0.00 0.13 0.00 0.00 42.46 39.10 2qrt s ILE 3 CO 0.34 -0.74 0.66 0.54 -1.91 0.00 0.00 174.94 173.83 2qrt s ASN 4 N -3.61 6.78 0.49 4.50 4.22 -1.26 -5.03 114.94 121.02 2qrt s ASN 4 Ca 0.59 0.94 -0.18 0.00 -2.14 0.00 0.00 52.86 52.07 2qrt s ASN 4 Cb -0.15 -2.37 -0.09 0.00 1.28 0.00 0.00 41.25 39.92 2qrt s ASN 4 CO 0.55 -0.25 0.98 -0.36 -2.04 0.00 0.00 177.10 175.98 2qrt s PHE 5 N 1.67 3.38 -0.06 1.54 0.08 -1.26 -5.07 117.98 118.24 2qrt s PHE 5 Ca 0.31 1.52 -0.02 0.00 0.12 0.00 0.00 56.93 58.87 2qrt s PHE 5 Cb -0.16 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 2qrt s PHE 5 CO 0.12 -0.31 0.02 -2.00 -0.10 0.00 0.00 175.22 172.95 2qrt s GLU 6 N -3.73 3.00 0.51 0.44 2.56 -1.26 -4.98 118.70 115.24 2qrt s GLU 6 Ca 0.60 -0.43 -0.23 0.00 0.00 0.00 0.00 54.97 54.92 2qrt s GLU 6 Cb -0.10 -2.81 -0.06 0.00 2.00 0.00 0.00 34.13 33.16 2qrt s GLU 6 CO 0.25 0.69 1.38 0.15 -0.56 0.00 0.00 175.26 177.16 2qrt s LYS 7 N -1.11 3.36 0.28 4.30 1.02 -1.26 -4.90 119.74 121.43 2qrt s LYS 7 Ca 0.16 2.28 0.03 0.00 0.02 0.00 0.00 55.97 58.46 2qrt s LYS 7 Cb -0.11 -2.41 0.42 0.00 -0.52 0.00 0.00 37.83 35.21 2qrt s LYS 7 CO 0.05 -1.03 1.71 -0.07 -0.92 0.00 0.00 175.35 175.09 2qrt h LEU 8 N 1.79 0.43 -3.57 3.17 3.38 -1.98 -3.48 115.31 115.05 2qrt h LEU 8 Ca -0.51 -0.16 -0.51 0.00 0.09 0.00 0.00 57.88 56.80 2qrt h LEU 8 Cb 1.29 -0.12 0.04 0.00 0.09 0.00 0.00 40.66 41.95 2qrt h LEU 8 CO 0.59 0.72 -0.97 0.61 0.09 0.00 0.00 178.44 179.47 2qrt n GLY 9 N -0.32 -0.94 0.28 0.83 0.00 -1.26 -4.40 105.19 99.38 2qrt n GLY 9 Ca -0.01 0.41 0.15 0.00 0.00 0.00 0.00 46.02 46.56 2qrt n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrt n GLY 11 N -0.74 3.04 3.53 0.00 0.00 -1.26 -4.76 105.19 105.00 2qrt n GLY 11 Ca -0.02 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 2qrt n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrt n ALA 12 N -1.13 -1.86 -1.68 4.61 0.00 -1.26 -4.66 120.51 114.52 2qrt n ALA 12 Ca 0.00 -0.65 -0.45 0.00 0.00 0.00 0.00 53.44 52.34 2qrt n ALA 12 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 2qrt n ALA 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qrt n SER 13 N -2.91 3.51 0.00 0.00 7.64 -1.26 -0.45 113.62 120.15 2qrt n SER 13 Ca 0.09 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2qrt n SER 13 Cb 0.53 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2qrt n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qrt n GLY 14 N 3.97 0.71 2.92 0.23 0.00 -1.26 -4.99 105.19 106.76 2qrt n GLY 14 Ca 0.19 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.12 5.03 3.78 -0.02 0.00 0.40 -4.96 105.19 108.31 2qrt n GLY 15 Ca 0.00 -2.40 -0.39 0.00 0.00 0.00 0.00 46.02 43.23 2qrt n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qrt s GLY 16 N -0.59 2.73 0.00 -0.02 0.00 -0.84 -1.95 107.32 106.66 2qrt s GLY 16 Ca 0.35 0.14 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2qrt s GLY 16 CO 0.05 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.46 2qrt n GLY 17 N 1.92 0.00 3.75 0.20 0.00 -0.90 -4.96 105.19 105.20 2qrt n GLY 17 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2qrt n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qrt s SER 18 N -4.91 7.05 0.30 1.61 0.15 -1.20 -4.99 113.70 111.71 2qrt s SER 18 Ca 0.00 1.26 -0.26 0.00 0.70 0.00 0.00 55.95 57.64 2qrt s SER 18 Cb 0.00 -2.41 -0.10 0.00 -1.71 0.00 0.00 66.02 61.81 2qrt s SER 18 CO 0.00 0.02 0.93 -0.83 1.20 0.00 0.00 173.24 174.56 2qrt s GLY 19 N 0.10 2.85 -0.73 9.45 0.00 -1.26 -3.02 107.32 114.70 2qrt s GLY 19 Ca 0.35 0.52 -0.09 0.00 0.00 0.00 0.00 44.72 45.50 2qrt s GLY 19 CO 0.19 0.98 0.62 0.61 0.00 0.00 0.00 173.10 175.51 2qrt n GLY 20 N 0.75 -1.00 2.20 0.20 0.00 -1.26 -4.77 105.19 101.32 2qrt n GLY 20 Ca 0.01 0.73 -0.09 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.32 2.37 3.67 -0.02 0.00 -0.92 -4.81 105.19 104.17 2qrt n GLY 21 Ca -0.24 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 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 2.41 1.84 0.55 -0.02 0.00 -1.26 -4.83 107.32 106.02 2qrt s GLY 22 Ca 0.44 0.37 -0.07 0.00 0.00 0.00 0.00 44.72 45.46 2qrt s GLY 22 CO -0.00 2.26 0.90 -1.35 0.00 0.00 0.00 173.10 174.90 2qrt s SER 23 N 1.49 6.08 0.55 1.64 1.04 -1.26 -5.03 113.70 118.21 2qrt s SER 23 Ca 0.50 1.04 -0.19 0.00 0.48 0.00 0.00 55.95 57.78 2qrt s SER 23 Cb -0.19 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 2qrt s SER 23 CO 0.13 -0.80 1.14 -0.63 0.98 0.00 0.00 173.24 174.06 2qrt s ILE 1 N -2.95 3.12 0.06 -1.02 1.01 -1.26 -5.04 121.20 115.13 2qrt s ILE 1 Ca 0.51 0.70 0.08 0.00 0.00 0.00 0.00 60.65 61.94 2qrt s ILE 1 Cb -0.11 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 2qrt s ILE 1 CO 0.48 -0.15 -0.20 -1.10 0.00 0.00 0.00 174.94 173.96 2qrt s GLN 2 N -3.30 1.92 -0.05 2.79 -0.21 -1.26 -4.73 119.66 114.81 2qrt s GLN 2 Ca 0.73 -1.07 0.05 0.00 0.02 0.00 0.00 55.36 55.09 2qrt s GLN 2 Cb -0.24 -2.12 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 2qrt s GLN 2 CO 0.28 0.52 -0.20 0.15 -2.12 0.00 0.00 175.29 173.91 2qrt s LYS 3 N -1.59 2.53 0.12 2.91 1.02 0.67 -4.94 119.74 120.45 2qrt s LYS 3 Ca 0.15 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 2qrt s LYS 3 Cb -0.10 -2.27 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 2qrt s LYS 3 CO 0.06 0.50 0.97 0.99 -0.92 0.00 0.00 175.35 176.94 2qrt s THR 4 N -0.43 4.46 0.40 2.17 2.01 -1.26 -2.59 115.64 120.41 2qrt s THR 4 Ca 0.04 2.05 -0.25 0.00 0.31 0.00 0.00 61.69 63.84 2qrt s THR 4 Cb -0.12 -4.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.00 2qrt s THR 4 CO 0.02 0.32 1.20 -2.16 -0.69 0.00 0.00 174.62 173.31 2qrt s PRO 5 N -0.04 4.03 -0.03 4.92 0.04 -1.26 -4.37 135.00 138.29 2qrt s PRO 5 Ca 0.47 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 2qrt s PRO 5 Cb -0.24 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2qrt s PRO 5 CO 0.30 -0.36 0.07 -0.65 0.04 0.00 0.00 177.00 176.40 2qrt s GLN 6 N -2.28 3.07 -0.02 4.56 -0.21 -0.13 -4.95 119.66 119.70 2qrt s GLN 6 Ca 0.57 -0.44 0.02 0.00 0.02 0.00 0.00 55.36 55.53 2qrt s GLN 6 Cb -0.32 -2.87 0.01 0.00 1.00 0.00 0.00 33.01 30.82 2qrt s GLN 6 CO 0.41 0.67 -0.06 0.42 -2.12 0.00 0.00 175.29 174.61 2qrt s ILE 7 N -1.11 0.52 -0.02 1.08 1.01 -1.26 -1.38 121.20 120.04 2qrt s ILE 7 Ca 0.20 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.67 2qrt s ILE 7 Cb -0.12 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 2qrt s ILE 7 CO 0.10 0.18 -0.15 -1.10 0.00 0.00 0.00 174.94 173.97 2qrt s GLN 8 N 0.25 1.37 -0.13 2.79 -0.21 -0.56 -4.99 119.66 118.17 2qrt s GLN 8 Ca -0.03 -0.54 0.01 0.00 0.02 0.00 0.00 55.36 54.83 2qrt s GLN 8 Cb -0.07 -1.27 0.02 0.00 1.00 0.00 0.00 33.01 32.68 2qrt s GLN 8 CO -0.00 0.28 -0.15 0.08 -2.12 0.00 0.00 175.29 173.38 2qrt s VAL 9 N -0.17 1.57 0.08 1.09 1.01 -1.26 -0.80 120.40 121.92 2qrt s VAL 9 Ca 0.02 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 2qrt s VAL 9 Cb -0.08 -1.45 0.08 0.00 0.00 0.00 0.00 36.38 34.93 2qrt s VAL 9 CO 0.00 0.46 0.67 -0.72 0.00 0.00 0.00 175.10 175.51 2qrt s TYR 10 N 1.24 -0.53 0.41 5.22 1.13 -0.83 -4.51 117.35 119.47 2qrt s TYR 10 Ca -0.01 0.50 -0.07 0.00 -1.41 0.00 0.00 57.07 56.09 2qrt s TYR 10 Cb -0.14 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.19 2qrt s TYR 10 CO -0.06 -0.74 0.72 -1.54 -2.51 0.00 0.00 175.55 171.42 2qrt s SER 11 N -2.30 6.39 0.08 -0.18 1.04 -1.26 -0.27 113.70 117.20 2qrt s SER 11 Ca -0.01 0.93 -0.17 0.00 0.48 0.00 0.00 55.95 57.17 2qrt s SER 11 Cb -0.01 -2.24 -0.09 0.00 0.10 0.00 0.00 66.02 63.78 2qrt s SER 11 CO -0.07 -0.42 1.43 -0.09 0.98 0.00 0.00 173.24 175.07 2qrt h ARG 12 N 0.91 0.55 -6.26 4.02 2.43 -1.23 -3.45 114.38 111.34 2qrt h ARG 12 Ca -0.47 -0.25 -0.58 0.00 -0.81 0.00 0.00 59.98 57.86 2qrt h ARG 12 Cb 1.20 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 2qrt h ARG 12 CO 0.63 0.82 -0.69 -1.01 -1.51 0.00 0.00 179.97 178.21 2qrt s HIS 13 N -4.52 2.57 0.21 2.20 3.76 -1.26 -4.98 115.29 113.28 2qrt s HIS 13 Ca -0.13 -0.25 -0.32 0.00 -0.15 0.00 0.00 55.06 54.20 2qrt s HIS 13 Cb 0.08 -1.16 -0.13 0.00 1.11 0.00 0.00 32.58 32.47 2qrt s HIS 13 CO 0.79 0.62 1.49 -0.35 -0.85 0.00 0.00 174.74 176.44 2qrt n PRO 14 N -0.63 2.12 -2.29 8.40 -0.04 -1.26 -4.88 135.00 136.41 2qrt n PRO 14 Ca -0.07 0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 63.74 2qrt n PRO 14 Cb 0.59 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 2qrt n PRO 14 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2qrt s PRO 15 N 0.12 4.41 -0.06 0.54 0.04 -1.26 -5.03 135.00 133.76 2qrt s PRO 15 Ca 0.72 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.70 2qrt s PRO 15 Cb -0.65 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 30.67 2qrt s PRO 15 CO 0.45 -0.24 0.02 -1.21 0.04 0.00 0.00 177.00 176.05 2qrt s GLU 16 N 0.32 0.41 0.16 4.56 2.02 -1.26 -5.11 118.70 119.80 2qrt s GLU 16 Ca 0.58 0.18 -0.34 0.00 0.02 0.00 0.00 54.97 55.41 2qrt s GLU 16 Cb -0.34 -0.84 -0.14 0.00 0.10 0.00 0.00 34.13 32.91 2qrt s GLU 16 CO 0.34 -0.31 1.49 0.09 0.02 0.00 0.00 175.26 176.89 2qrt n ASN 17 N 5.18 2.71 0.00 -0.19 3.02 -1.26 -1.45 115.26 123.28 2qrt n ASN 17 Ca -0.06 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 2qrt n ASN 17 Cb 0.50 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 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 2.97 1.35 3.55 7.41 0.00 0.01 -4.99 105.19 115.48 2qrt n GLY 18 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.54 3.80 0.31 1.61 -0.14 -0.53 -4.99 119.74 119.26 2qrt s LYS 19 Ca 0.00 -0.44 -0.28 0.00 -1.36 0.00 0.00 55.97 53.88 2qrt s LYS 19 Cb 0.00 -3.08 -0.13 0.00 -1.68 0.00 0.00 37.83 32.94 2qrt s LYS 19 CO 0.00 0.21 1.18 -2.30 -0.76 0.00 0.00 175.35 173.68 2qrt n PRO 20 N 3.67 1.78 -1.28 -1.68 -0.02 -1.26 -4.29 135.00 131.92 2qrt n PRO 20 Ca -0.17 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2qrt n PRO 20 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.11 0.00 -3.89 2.55 2.85 0.15 -4.98 115.26 113.06 2qrt n ASN 21 Ca 0.08 -0.88 -0.21 0.00 -0.11 0.00 0.00 54.58 53.46 2qrt n ASN 21 Cb 0.34 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 -2.49 0.57 -0.17 -1.44 1.01 -1.26 -1.47 121.20 115.95 2qrt s ILE 22 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.44 2qrt s ILE 22 Cb 0.00 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 2qrt s ILE 22 CO 0.00 0.24 0.09 -0.22 0.00 0.00 0.00 174.94 175.05 2qrt s LEU 23 N 1.00 4.03 0.09 2.97 2.96 0.51 -0.81 118.68 129.44 2qrt s LEU 23 Ca -0.10 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 2qrt s LEU 23 Cb -0.14 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2qrt s LEU 23 CO -0.00 0.23 -0.03 0.20 -1.32 0.00 0.00 176.35 175.43 2qrt s ASN 24 N 0.02 4.84 -0.28 3.68 0.01 0.63 -1.31 114.94 122.53 2qrt s ASN 24 Ca 0.08 -0.23 -0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2qrt s ASN 24 Cb -0.12 -1.10 0.09 0.00 0.41 0.00 0.00 41.25 40.54 2qrt s ASN 24 CO 0.00 0.18 0.08 0.00 -1.51 0.00 0.00 177.10 175.85 2qrt s TYR 26 N 1.68 3.21 -0.16 0.00 5.04 0.02 -0.73 117.35 126.40 2qrt s TYR 26 Ca 0.07 0.02 -0.00 0.00 -2.44 0.00 0.00 57.07 54.72 2qrt s TYR 26 Cb -0.17 -2.65 -0.00 0.00 0.35 0.00 0.00 41.96 39.49 2qrt s TYR 26 CO -0.22 -0.40 -0.14 0.08 -1.34 0.00 0.00 175.55 173.53 2qrt s VAL 27 N 2.01 2.76 0.33 3.14 1.01 -0.38 -1.50 120.40 127.76 2qrt s VAL 27 Ca 0.12 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.41 2qrt s VAL 27 Cb -0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2qrt s VAL 27 CO 0.11 0.50 0.17 0.42 0.00 0.00 0.00 175.10 176.31 2qrt s THR 28 N 0.91 0.34 -2.08 3.92 -4.23 -0.48 -0.71 115.64 113.30 2qrt s THR 28 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2qrt s THR 28 Cb -0.15 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2qrt s THR 28 CO -0.01 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.07 2qrt n GLN 29 N -0.65 -1.53 -4.13 3.99 1.13 -0.93 -0.96 117.38 114.29 2qrt n GLN 29 Ca 0.01 1.17 -0.22 0.00 -1.94 0.00 0.00 57.00 56.01 2qrt n GLN 29 Cb 0.64 -5.65 -0.05 0.00 0.11 0.00 0.00 30.24 25.30 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 -2.87 3.06 -0.28 1.08 -0.71 -1.18 -4.16 117.98 112.92 2qrt s PHE 30 Ca 0.00 -0.12 -0.19 0.00 -1.04 0.00 0.00 56.93 55.59 2qrt s PHE 30 Cb 0.00 -1.39 0.12 0.00 -1.21 0.00 0.00 43.02 40.54 2qrt s PHE 30 CO 0.00 0.53 0.91 -1.58 -1.34 0.00 0.00 175.22 173.75 2qrt s HIS 31 N -2.11 -0.67 1.09 3.49 2.46 -1.07 -1.21 115.29 117.27 2qrt s HIS 31 Ca 0.32 1.40 -0.12 0.00 0.47 0.00 0.00 55.06 57.13 2qrt s HIS 31 Cb -0.08 0.41 0.24 0.00 -0.13 0.00 0.00 32.58 33.02 2qrt s HIS 31 CO 0.24 -0.33 1.06 -1.25 -2.47 0.00 0.00 174.74 171.99 2qrt s PRO 32 N 1.08 -0.34 0.45 2.88 0.04 -1.26 -0.24 135.00 137.61 2qrt s PRO 32 Ca -0.06 0.79 0.23 0.00 0.04 0.00 0.00 61.00 62.01 2qrt s PRO 32 Cb -0.04 -1.63 1.04 0.00 0.04 0.00 0.00 34.50 33.91 2qrt s PRO 32 CO -0.13 -3.32 1.89 -1.00 0.04 0.00 0.00 177.00 174.48 2qrt h PRO 33 N -2.33 0.00 -6.48 0.56 0.13 -1.99 -3.44 132.00 118.45 2qrt h PRO 33 Ca -0.58 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.02 2qrt h PRO 33 Cb 1.33 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.48 2qrt h PRO 33 CO 0.52 0.23 0.94 -1.58 -0.23 0.00 0.00 178.00 177.88 2qrt s HIS 34 N -3.86 2.65 -0.00 1.56 2.46 -1.26 -4.97 115.29 111.88 2qrt s HIS 34 Ca -0.01 0.47 -0.21 0.00 0.47 0.00 0.00 55.06 55.79 2qrt s HIS 34 Cb 0.12 -3.91 0.04 0.00 -0.13 0.00 0.00 32.58 28.70 2qrt s HIS 34 CO 0.63 -3.54 0.46 -1.50 -2.47 0.00 0.00 174.74 168.32 2qrt s ILE 35 N 2.20 0.04 -0.13 0.89 2.07 -1.26 -4.66 121.20 120.35 2qrt s ILE 35 Ca 0.71 -0.32 0.01 0.00 -1.41 0.00 0.00 60.65 59.64 2qrt s ILE 35 Cb -0.40 -0.85 0.02 0.00 0.13 0.00 0.00 42.46 41.37 2qrt s ILE 35 CO 0.31 -0.18 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.41 2qrt s GLU 36 N -1.74 2.23 -0.10 3.50 2.02 -0.65 -5.01 118.70 118.95 2qrt s GLU 36 Ca -0.10 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.39 2qrt s GLU 36 Cb -0.02 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.20 2qrt s GLU 36 CO 0.03 -0.19 -0.22 0.42 0.02 0.00 0.00 175.26 175.33 2qrt s ILE 37 N 1.35 1.90 0.04 -1.63 1.01 -1.26 -0.79 121.20 121.82 2qrt s ILE 37 Ca 0.02 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.80 2qrt s ILE 37 Cb -0.13 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 2qrt s ILE 37 CO -0.08 0.52 -0.16 -1.10 0.00 0.00 0.00 174.94 174.13 2qrt s GLN 38 N 0.50 1.03 -0.08 2.79 -0.21 -0.21 -4.99 119.66 118.48 2qrt s GLN 38 Ca -0.16 -0.80 0.01 0.00 0.02 0.00 0.00 55.36 54.43 2qrt s GLN 38 Cb -0.17 -1.06 -0.03 0.00 1.00 0.00 0.00 33.01 32.75 2qrt s GLN 38 CO 0.06 0.26 -0.10 -1.64 -2.12 0.00 0.00 175.29 171.75 2qrt s MET 39 N -1.16 2.84 0.01 2.91 -1.94 -1.26 0.07 119.30 120.77 2qrt s MET 39 Ca 0.03 -0.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.47 2qrt s MET 39 Cb -0.08 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.19 2qrt s MET 39 CO 0.01 0.54 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.83 2qrt s LEU 40 N -0.50 2.11 -0.24 -0.03 1.43 0.50 -0.27 118.68 121.68 2qrt s LEU 40 Ca 0.07 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2qrt s LEU 40 Cb -0.12 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 44.99 2qrt s LEU 40 CO 0.02 0.24 -0.13 -0.75 0.23 0.00 0.00 176.35 175.96 2qrt s LYS 41 N -0.89 2.51 -1.48 1.70 2.20 0.04 -1.10 119.74 122.72 2qrt s LYS 41 Ca 0.09 -1.17 -0.12 0.00 -0.36 0.00 0.00 55.97 54.42 2qrt s LYS 41 Cb -0.09 -2.81 0.06 0.00 -1.51 0.00 0.00 37.83 33.48 2qrt s LYS 41 CO 0.01 -0.45 0.98 0.09 -0.36 0.00 0.00 175.35 175.61 2qrt n ASN 42 N 4.51 -5.22 0.00 1.43 3.02 0.51 -1.55 115.26 117.96 2qrt n ASN 42 Ca -0.16 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 2qrt n ASN 42 Cb 0.45 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 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 -1.72 2.12 3.73 7.41 0.00 -1.26 -5.02 105.19 110.44 2qrt n GLY 43 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2qrt n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qrt s LYS 44 N -0.20 3.76 0.31 1.61 2.47 -0.60 -5.02 119.74 122.08 2qrt s LYS 44 Ca 0.00 -0.27 -0.29 0.00 -1.56 0.00 0.00 55.97 53.86 2qrt s LYS 44 Cb 0.00 -3.20 -0.13 0.00 -1.46 0.00 0.00 37.83 33.04 2qrt s LYS 44 CO 0.00 0.47 1.29 1.63 0.16 0.00 0.00 175.35 178.90 2qrt n LYS 45 N 2.94 2.03 -3.31 4.03 5.02 -1.26 -0.78 118.16 126.84 2qrt n LYS 45 Ca -0.18 0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 56.43 2qrt n LYS 45 Cb 0.53 -2.29 -0.08 0.00 -0.02 0.00 0.00 35.03 33.17 2qrt n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qrt s ILE 46 N -0.84 5.12 0.11 -0.18 1.01 0.63 -4.80 121.20 122.25 2qrt s ILE 46 Ca 0.59 0.73 -0.21 0.00 0.00 0.00 0.00 60.65 61.76 2qrt s ILE 46 Cb -0.60 -3.77 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 2qrt s ILE 46 CO 0.59 0.11 1.75 1.55 0.00 0.00 0.00 174.94 178.95 2qrt h PRO 47 N 8.10 0.13 -4.45 2.79 0.13 -1.92 -3.39 132.00 133.38 2qrt h PRO 47 Ca -0.30 -0.01 -0.74 0.00 -0.87 0.00 0.00 66.00 64.08 2qrt h PRO 47 Cb 1.15 -0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.04 2qrt h PRO 47 CO 0.68 0.08 0.52 0.15 -0.23 0.00 0.00 178.00 179.21 2qrt s LYS 48 N -6.18 3.64 -0.11 0.86 1.02 -1.26 -4.99 119.74 112.71 2qrt s LYS 48 Ca -0.13 -2.14 0.03 0.00 0.02 0.00 0.00 55.97 53.75 2qrt s LYS 48 Cb 0.08 -4.70 0.01 0.00 -0.52 0.00 0.00 37.83 32.70 2qrt s LYS 48 CO 0.68 -1.55 -0.19 0.08 -0.92 0.00 0.00 175.35 173.45 2qrt s VAL 49 N 1.43 1.79 0.11 3.17 1.01 -1.26 -4.63 120.40 122.03 2qrt s VAL 49 Ca 0.27 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 2qrt s VAL 49 Cb -0.07 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 2qrt s VAL 49 CO -0.09 0.50 0.39 -1.61 0.00 0.00 0.00 175.10 174.29 2qrt s GLU 50 N 0.73 3.69 -0.08 2.72 2.02 0.23 -4.91 118.70 123.09 2qrt s GLU 50 Ca -0.11 0.05 0.03 0.00 0.02 0.00 0.00 54.97 54.97 2qrt s GLU 50 Cb -0.16 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2qrt s GLU 50 CO 0.02 0.51 -0.19 -1.64 0.02 0.00 0.00 175.26 173.97 2qrt s MET 51 N -2.30 2.41 0.86 1.61 -1.94 -1.26 -0.84 119.30 117.84 2qrt s MET 51 Ca 0.37 -0.68 -0.12 0.00 -1.71 0.00 0.00 55.69 53.55 2qrt s MET 51 Cb -0.13 -1.89 0.11 0.00 2.01 0.00 0.00 34.83 34.92 2qrt s MET 51 CO 0.21 0.14 1.10 -1.54 -0.01 0.00 0.00 175.02 174.92 2qrt s SER 52 N 0.42 3.90 0.72 3.03 1.04 -0.25 -4.99 113.70 117.57 2qrt s SER 52 Ca -0.15 1.28 -0.13 0.00 0.48 0.00 0.00 55.95 57.43 2qrt s SER 52 Cb -0.16 -1.97 0.03 0.00 0.10 0.00 0.00 66.02 64.02 2qrt s SER 52 CO 0.06 -2.34 1.10 -1.81 0.98 0.00 0.00 173.24 171.24 2qrt s ASP 53 N -3.77 4.77 0.31 7.02 1.01 -1.26 -4.67 116.67 120.09 2qrt s ASP 53 Ca 0.62 1.93 -0.14 0.00 0.71 0.00 0.00 52.55 55.67 2qrt s ASP 53 Cb -0.16 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.15 2qrt s ASP 53 CO 0.55 -1.86 0.72 -0.32 0.21 0.00 0.00 175.17 174.47 2qrt s MET 54 N -4.46 3.99 0.32 8.23 1.75 -1.26 -4.72 119.30 123.14 2qrt s MET 54 Ca 0.65 0.64 0.06 0.00 -1.25 0.00 0.00 55.69 55.78 2qrt s MET 54 Cb -0.19 -2.45 -0.03 0.00 2.84 0.00 0.00 34.83 35.00 2qrt s MET 54 CO 0.48 0.17 0.25 -1.12 -0.65 0.00 0.00 175.02 174.16 2qrt s SER 55 N -2.28 1.54 0.04 1.11 0.01 -0.98 -5.01 113.70 108.13 2qrt s SER 55 Ca 0.54 -1.71 -0.05 0.00 1.31 0.00 0.00 55.95 56.04 2qrt s SER 55 Cb -0.10 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 2qrt s SER 55 CO 0.18 -1.03 0.07 0.72 0.41 0.00 0.00 173.24 173.59 2qrt s PHE 56 N -3.52 0.24 0.52 2.43 -0.12 -1.26 -1.37 117.98 114.90 2qrt s PHE 56 Ca 0.40 -0.58 0.09 0.00 -0.05 0.00 0.00 56.93 56.79 2qrt s PHE 56 Cb 0.03 -0.17 0.06 0.00 -0.63 0.00 0.00 43.02 42.30 2qrt s PHE 56 CO 0.25 -0.36 0.70 -1.54 -0.05 0.00 0.00 175.22 174.23 2qrt s SER 57 N -2.20 5.26 0.48 1.98 1.04 0.19 -4.95 113.70 115.49 2qrt s SER 57 Ca -0.04 -0.72 0.27 0.00 0.48 0.00 0.00 55.95 55.93 2qrt s SER 57 Cb -0.00 -0.01 1.32 0.00 0.10 0.00 0.00 66.02 67.42 2qrt s SER 57 CO -0.05 -1.14 1.83 0.11 0.98 0.00 0.00 173.24 174.97 2qrt h LYS 58 N 0.36 0.18 -0.31 4.02 1.57 -2.03 0.37 116.57 120.73 2qrt h LYS 58 Ca -0.33 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2qrt h LYS 58 Cb 1.29 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2qrt h LYS 58 CO 0.43 0.12 0.00 -0.40 -0.57 0.00 0.00 179.45 179.03 2qrt n ASP 59 N -4.39 1.38 0.00 0.86 5.75 -1.26 -4.90 116.55 113.99 2qrt n ASP 59 Ca 0.22 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 2qrt n ASP 59 Cb 0.96 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 2qrt n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2qrt n TRP 60 N 0.17 0.00 -2.81 2.11 5.03 0.13 -5.00 117.44 117.07 2qrt n TRP 60 Ca 0.08 0.00 -0.34 0.00 3.03 0.00 0.00 57.50 60.27 2qrt n TRP 60 Cb 0.24 0.00 -0.07 0.00 -1.03 0.00 0.00 31.31 30.45 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 -3.79 7.05 0.40 -0.99 1.04 -1.26 -4.65 113.70 111.50 2qrt s SER 61 Ca 0.00 1.73 -0.06 0.00 0.48 0.00 0.00 55.95 58.10 2qrt s SER 61 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 2qrt s SER 61 CO 0.00 -0.28 0.70 -0.36 0.98 0.00 0.00 173.24 174.28 2qrt s PHE 62 N -2.03 3.51 0.03 5.02 0.08 -0.35 -0.64 117.98 123.61 2qrt s PHE 62 Ca 0.59 0.77 -0.10 0.00 0.12 0.00 0.00 56.93 58.30 2qrt s PHE 62 Cb -0.12 -2.24 0.01 0.00 -0.57 0.00 0.00 43.02 40.11 2qrt s PHE 62 CO 0.16 -0.08 0.22 1.52 -0.10 0.00 0.00 175.22 176.94 2qrt s TYR 63 N -2.44 0.01 0.01 0.36 1.13 -0.47 -2.19 117.35 113.76 2qrt s TYR 63 Ca 0.47 -0.19 -0.27 0.00 -1.41 0.00 0.00 57.07 55.66 2qrt s TYR 63 Cb -0.10 -0.00 0.06 0.00 -1.10 0.00 0.00 41.96 40.82 2qrt s TYR 63 CO 0.37 -0.43 0.62 -1.50 -2.51 0.00 0.00 175.55 172.10 2qrt s ILE 64 N -2.40 0.01 -0.20 -3.49 2.07 0.11 -2.31 121.20 114.99 2qrt s ILE 64 Ca -0.06 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 2qrt s ILE 64 Cb -0.02 -0.98 0.02 0.00 0.13 0.00 0.00 42.46 41.61 2qrt s ILE 64 CO -0.03 -0.03 -0.16 -0.22 -1.91 0.00 0.00 174.94 172.58 2qrt s LEU 65 N -1.60 2.39 -0.05 8.50 2.96 -1.26 -1.25 118.68 128.37 2qrt s LEU 65 Ca -0.08 -0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 53.11 2qrt s LEU 65 Cb -0.01 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 2qrt s LEU 65 CO 0.04 -0.02 0.14 0.00 -1.32 0.00 0.00 176.35 175.19 2qrt s ALA 66 N 1.31 3.83 0.08 5.97 0.00 0.09 -1.09 121.76 131.95 2qrt s ALA 66 Ca 0.04 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 2qrt s ALA 66 Cb -0.14 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.19 2qrt s ALA 66 CO -0.11 0.69 0.43 -3.38 0.00 0.00 0.00 175.76 173.40 2qrt s HIS 67 N -1.19 -0.28 -0.03 0.00 -3.43 -0.02 -0.02 115.29 110.32 2qrt s HIS 67 Ca 0.22 0.16 -0.18 0.00 -0.80 0.00 0.00 55.06 54.46 2qrt s HIS 67 Cb -0.12 0.27 0.03 0.00 -1.43 0.00 0.00 32.58 31.33 2qrt s HIS 67 CO 0.13 -0.64 0.38 -0.08 -2.00 0.00 0.00 174.74 172.53 2qrt s THR 68 N -2.97 0.04 0.40 -5.38 -1.32 -0.43 -0.61 115.64 105.38 2qrt s THR 68 Ca -0.02 -0.37 -0.24 0.00 -1.21 0.00 0.00 61.69 59.85 2qrt s THR 68 Cb 0.00 -0.69 -0.09 0.00 -1.51 0.00 0.00 72.50 70.22 2qrt s THR 68 CO -0.06 -0.20 1.06 -1.61 -2.21 0.00 0.00 174.62 171.60 2qrt s GLU 69 N -1.24 4.16 0.04 7.08 2.02 -1.26 -0.36 118.70 129.14 2qrt s GLU 69 Ca -0.13 1.55 -0.27 0.00 0.02 0.00 0.00 54.97 56.15 2qrt s GLU 69 Cb -0.04 -2.57 0.09 0.00 0.10 0.00 0.00 34.13 31.70 2qrt s GLU 69 CO 0.05 -0.15 0.75 -0.59 0.02 0.00 0.00 175.26 175.34 2qrt s PHE 70 N -1.62 -0.47 -0.31 1.61 -0.71 -0.55 -4.84 117.98 111.09 2qrt s PHE 70 Ca 0.57 0.44 0.01 0.00 -1.04 0.00 0.00 56.93 56.92 2qrt s PHE 70 Cb -0.23 0.52 0.09 0.00 -1.21 0.00 0.00 43.02 42.19 2qrt s PHE 70 CO 0.29 -0.66 0.05 0.99 -1.34 0.00 0.00 175.22 174.55 2qrt s THR 71 N -2.88 1.54 0.49 -4.49 2.01 -1.26 0.31 115.64 111.36 2qrt s THR 71 Ca 0.00 -1.72 -0.23 0.00 0.31 0.00 0.00 61.69 60.05 2qrt s THR 71 Cb -0.01 -2.08 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 2qrt s THR 71 CO -0.07 -0.53 1.34 -2.16 -0.69 0.00 0.00 174.62 172.51 2qrt s PRO 72 N 1.30 3.45 0.32 4.92 0.04 -1.26 -4.74 135.00 139.03 2qrt s PRO 72 Ca 0.07 2.21 0.05 0.00 0.04 0.00 0.00 61.00 63.37 2qrt s PRO 72 Cb -0.18 -2.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 2qrt s PRO 72 CO -0.15 -0.93 0.02 0.99 0.04 0.00 0.00 177.00 176.97 2qrt s THR 73 N -1.31 1.42 0.35 1.26 2.01 -1.26 -0.81 115.64 117.30 2qrt s THR 73 Ca 0.66 -2.04 0.14 0.00 0.31 0.00 0.00 61.69 60.77 2qrt s THR 73 Cb -0.39 -2.70 0.10 0.00 0.01 0.00 0.00 72.50 69.51 2qrt s THR 73 CO 0.48 -0.10 1.81 -0.08 -0.69 0.00 0.00 174.62 176.05 2qrt h GLU 74 N 2.13 0.00 -0.00 4.92 4.57 -1.97 -3.29 114.58 120.94 2qrt h GLU 74 Ca -0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2qrt h GLU 74 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2qrt h GLU 74 CO 0.70 0.38 -0.67 0.25 -1.18 0.00 0.00 179.01 178.50 2qrt n THR 75 N -3.98 0.00 -2.30 0.32 -2.24 -1.26 -4.98 114.28 99.83 2qrt n THR 75 Ca -0.02 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 2qrt n THR 75 Cb 0.42 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.35 7.00 -0.11 3.42 1.01 -1.24 -5.02 116.67 119.38 2qrt s ASP 76 Ca 0.06 2.32 -0.05 0.00 0.71 0.00 0.00 52.55 55.60 2qrt s ASP 76 Cb 0.11 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2qrt s ASP 76 CO 0.59 -0.43 0.06 0.42 0.21 0.00 0.00 175.17 176.01 2qrt s THR 77 N -0.07 4.83 0.12 -1.27 -4.23 -1.26 -4.79 115.64 108.97 2qrt s THR 77 Ca 0.54 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 61.10 2qrt s THR 77 Cb -0.34 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 2qrt s THR 77 CO 0.38 0.59 -0.23 -0.31 -0.54 0.00 0.00 174.62 174.51 2qrt s TYR 78 N -0.72 1.98 0.21 3.99 1.51 -1.26 -0.36 117.35 122.71 2qrt s TYR 78 Ca 0.12 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.61 2qrt s TYR 78 Cb -0.12 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.69 2qrt s TYR 78 CO 0.03 0.28 0.53 0.00 -1.11 0.00 0.00 175.55 175.27 2qrt s ALA 79 N -1.26 -0.80 -0.06 3.71 0.00 -0.25 -1.03 121.76 122.06 2qrt s ALA 79 Ca 0.11 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2qrt s ALA 79 Cb -0.09 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.93 2qrt s ALA 79 CO 0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 175.76 174.86 2qrt s ARG 81 N 0.60 3.18 -0.11 0.00 3.52 0.11 -0.35 118.95 125.90 2qrt s ARG 81 Ca -0.13 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 54.69 2qrt s ARG 81 Cb -0.15 -2.45 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 2qrt s ARG 81 CO 0.03 0.18 -0.19 0.08 -0.81 0.00 0.00 175.30 174.59 2qrt s VAL 82 N 0.39 1.73 -0.22 7.11 1.01 0.63 -1.05 120.40 130.00 2qrt s VAL 82 Ca -0.15 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 2qrt s VAL 82 Cb -0.17 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 2qrt s VAL 82 CO 0.07 0.49 0.02 -0.75 0.00 0.00 0.00 175.10 174.93 2qrt s LYS 83 N 0.78 3.61 -0.06 2.72 2.20 0.03 -0.78 119.74 128.24 2qrt s LYS 83 Ca -0.10 -0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 54.87 2qrt s LYS 83 Cb -0.16 -3.17 0.02 0.00 -1.51 0.00 0.00 37.83 33.02 2qrt s LYS 83 CO 0.01 -0.09 0.30 -1.58 -0.36 0.00 0.00 175.35 173.63 2qrt s HIS 84 N 1.29 -0.23 0.59 4.03 2.46 -1.26 -1.64 115.29 120.53 2qrt s HIS 84 Ca 0.04 0.47 0.29 0.00 0.47 0.00 0.00 55.06 56.33 2qrt s HIS 84 Cb -0.15 0.09 1.53 0.00 -0.13 0.00 0.00 32.58 33.93 2qrt s HIS 84 CO 0.02 -0.29 1.95 0.00 -2.47 0.00 0.00 174.74 173.95 2qrt h ALA 85 N 4.62 2.01 0.00 1.58 0.00 -1.94 -1.11 119.26 124.42 2qrt h ALA 85 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qrt h ALA 85 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qrt h ALA 85 CO 0.36 -0.57 0.00 -1.13 0.00 0.00 0.00 179.25 177.91 2qrt n SER 86 N -3.67 0.07 -4.34 0.00 3.41 -1.26 -4.74 113.62 103.08 2qrt n SER 86 Ca 0.06 0.51 -0.30 0.00 -0.26 0.00 0.00 58.87 58.88 2qrt n SER 86 Cb 0.56 -0.53 -0.15 0.00 -0.26 0.00 0.00 64.21 63.83 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 -3.03 1.78 0.16 4.33 -1.94 -0.42 -4.90 119.30 115.29 2qrt s MET 87 Ca 0.08 -1.10 -0.12 0.00 -1.71 0.00 0.00 55.69 52.84 2qrt s MET 87 Cb 0.11 -1.95 0.05 0.00 2.01 0.00 0.00 34.83 35.06 2qrt s MET 87 CO 0.33 0.50 1.68 0.00 -0.01 0.00 0.00 175.02 177.53 2qrt h ALA 88 N 4.80 0.74 -2.26 3.03 0.00 -1.85 -3.44 119.26 120.28 2qrt h ALA 88 Ca -0.46 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 53.94 2qrt h ALA 88 Cb 1.14 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 2qrt h ALA 88 CO 0.44 0.44 -0.67 -1.83 0.00 0.00 0.00 179.25 177.62 2qrt s GLU 89 N -5.33 1.10 0.59 0.00 -1.05 -1.26 -5.10 118.70 107.65 2qrt s GLU 89 Ca -0.13 -1.51 -0.20 0.00 -0.15 0.00 0.00 54.97 52.98 2qrt s GLU 89 Cb 0.12 -0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 33.43 2qrt s GLU 89 CO 0.81 -0.08 1.31 -2.14 0.95 0.00 0.00 175.26 176.11 2qrt s PRO 90 N -3.87 2.88 -0.21 -4.83 0.02 -1.26 -4.87 135.00 122.85 2qrt s PRO 90 Ca 0.22 2.11 -0.08 0.00 0.02 0.00 0.00 61.00 63.27 2qrt s PRO 90 Cb 0.05 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2qrt s PRO 90 CO 0.03 -1.36 0.08 0.21 -0.33 0.00 0.00 177.00 175.64 2qrt s LYS 91 N -3.15 3.90 -0.21 5.54 2.47 0.04 -4.89 119.74 123.44 2qrt s LYS 91 Ca 0.77 -0.37 -0.05 0.00 -1.56 0.00 0.00 55.97 54.76 2qrt s LYS 91 Cb -0.38 -3.31 -0.02 0.00 -1.46 0.00 0.00 37.83 32.66 2qrt s LYS 91 CO 0.42 0.10 0.01 0.99 0.16 0.00 0.00 175.35 177.03 2qrt s THR 92 N 0.87 3.97 -0.20 3.43 2.01 -1.26 -0.27 115.64 124.19 2qrt s THR 92 Ca 0.04 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 2qrt s THR 92 Cb -0.14 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.57 2qrt s THR 92 CO 0.03 0.42 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.56 2qrt s VAL 93 N 1.11 2.78 0.26 3.82 1.01 0.53 -4.95 120.40 124.96 2qrt s VAL 93 Ca 0.03 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 2qrt s VAL 93 Cb -0.14 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 2qrt s VAL 93 CO 0.02 0.48 0.84 -0.31 0.00 0.00 0.00 175.10 176.12 2qrt s TYR 94 N 1.31 3.72 -0.24 5.22 1.51 -1.26 -1.16 117.35 126.45 2qrt s TYR 94 Ca 0.04 1.62 -0.29 0.00 -1.01 0.00 0.00 57.07 57.43 2qrt s TYR 94 Cb -0.14 -2.79 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 2qrt s TYR 94 CO -0.07 0.31 1.46 -0.46 -1.11 0.00 0.00 175.55 175.68 2qrt s TRP 95 N -1.50 2.40 -1.07 2.71 -0.00 -0.20 -4.87 118.94 116.42 2qrt s TRP 95 Ca 0.45 0.70 -0.11 0.00 -0.00 0.00 0.00 56.10 57.14 2qrt s TRP 95 Cb -0.19 -3.91 0.25 0.00 -0.00 0.00 0.00 33.47 29.62 2qrt s TRP 95 CO 0.23 -2.36 1.09 0.34 -0.00 0.00 0.00 176.95 176.26 2qrt s ASP 96 N 3.42 7.18 0.00 5.86 -1.08 -1.26 -4.77 116.67 126.02 2qrt s ASP 96 Ca 0.64 -3.32 0.10 0.00 -0.52 0.00 0.00 52.55 49.45 2qrt s ASP 96 Cb -0.21 -2.24 0.47 0.00 -1.46 0.00 0.00 42.92 39.47 2qrt s ASP 96 CO 0.26 -0.42 1.30 -2.11 0.52 0.00 0.00 175.17 174.72 2qrt n ARG 97 N 3.41 0.04 0.08 4.34 1.85 -1.26 -2.19 116.66 122.93 2qrt n ARG 97 Ca 0.24 0.28 -0.10 0.00 -1.00 0.00 0.00 57.85 57.27 2qrt n ARG 97 Cb 0.41 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.24 2qrt n ARG 97 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2qrt h ASP 98 N 0.00 0.23 -0.17 2.89 3.32 -2.02 -3.50 116.42 117.17 2qrt h ASP 98 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2qrt h ASP 98 Cb 0.15 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2qrt h ASP 98 CO 0.00 1.11 0.00 0.23 -1.72 0.00 0.00 179.24 178.86 2qrt n MET 99 N -3.53 1.83 -3.31 3.56 2.81 -0.93 -5.03 117.12 112.51 2qrt n MET 99 Ca -0.04 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.58 2qrt n MET 99 Cb 0.91 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.35 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 5.00 4.74 3.87 3.03 0.00 -1.26 -5.10 105.19 115.47 2qrt n GLY 1 Ca 0.00 -2.64 -0.31 0.00 0.00 0.00 0.00 46.02 43.07 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 -2.52 3.79 0.26 1.61 0.04 -1.26 -4.10 135.00 132.82 2qrt s PRO 2 Ca 0.41 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.11 2qrt s PRO 2 Cb 0.18 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 2qrt s PRO 2 CO -0.04 -0.18 0.04 -1.01 0.04 0.00 0.00 177.00 175.85 2qrt s HIS 3 N -2.57 1.65 0.02 0.56 3.76 -0.26 -4.96 115.29 113.49 2qrt s HIS 3 Ca 0.54 -1.01 -0.07 0.00 -0.15 0.00 0.00 55.06 54.36 2qrt s HIS 3 Cb -0.10 -1.00 -0.00 0.00 1.11 0.00 0.00 32.58 32.59 2qrt s HIS 3 CO 0.35 -0.12 0.13 -1.54 -0.85 0.00 0.00 174.74 172.71 2qrt s SER 4 N -3.35 0.07 -0.16 1.40 1.04 -1.26 -0.06 113.70 111.38 2qrt s SER 4 Ca 0.33 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2qrt s SER 4 Cb 0.07 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.44 2qrt s SER 4 CO 0.12 -0.44 -0.12 -0.22 0.98 0.00 0.00 173.24 173.56 2qrt s LEU 5 N -1.70 1.78 -0.01 2.42 2.96 -0.14 -1.65 118.68 122.34 2qrt s LEU 5 Ca -0.11 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2qrt s LEU 5 Cb -0.05 -1.15 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 2qrt s LEU 5 CO -0.01 -0.09 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.76 2qrt s ARG 6 N 1.49 0.35 -0.13 1.98 0.52 -0.61 -0.61 118.95 121.94 2qrt s ARG 6 Ca 0.03 -0.13 -0.02 0.00 -0.52 0.00 0.00 55.73 55.09 2qrt s ARG 6 Cb -0.14 -0.35 -0.02 0.00 0.52 0.00 0.00 34.95 34.96 2qrt s ARG 6 CO -0.10 0.07 -0.07 0.71 0.02 0.00 0.00 175.30 175.93 2qrt s TYR 7 N 0.01 2.94 -0.26 -0.53 2.02 0.70 -0.28 117.35 121.95 2qrt s TYR 7 Ca 0.00 -0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 56.29 2qrt s TYR 7 Cb -0.03 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2qrt s TYR 7 CO -0.00 -0.03 0.04 -0.06 -1.57 0.00 0.00 175.55 173.92 2qrt s PHE 8 N 0.18 3.08 -0.06 2.71 0.40 0.37 -1.57 117.98 123.09 2qrt s PHE 8 Ca -0.04 -0.87 0.04 0.00 -0.60 0.00 0.00 56.93 55.46 2qrt s PHE 8 Cb -0.14 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.16 2qrt s PHE 8 CO 0.04 -0.52 -0.16 0.08 0.70 0.00 0.00 175.22 175.35 2qrt s VAL 9 N 1.51 2.91 -0.04 -0.44 1.01 -0.02 -1.14 120.40 124.19 2qrt s VAL 9 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2qrt s VAL 9 Cb -0.16 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.10 2qrt s VAL 9 CO 0.01 0.58 -0.04 -0.89 0.00 0.00 0.00 175.10 174.76 2qrt s THR 10 N -0.51 0.47 -0.11 3.92 2.01 -0.59 -1.30 115.64 119.53 2qrt s THR 10 Ca 0.07 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.98 2qrt s THR 10 Cb -0.12 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 71.91 2qrt s THR 10 CO 0.01 0.20 -0.14 0.00 -0.69 0.00 0.00 174.62 174.01 2qrt s ALA 11 N 0.83 1.63 -0.12 7.40 0.00 -0.21 -1.09 121.76 130.20 2qrt s ALA 11 Ca -0.11 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 2qrt s ALA 11 Cb -0.14 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.16 2qrt s ALA 11 CO -0.00 -0.15 -0.10 0.08 0.00 0.00 0.00 175.76 175.59 2qrt s VAL 12 N 1.13 1.19 0.48 0.00 1.01 0.13 -1.04 120.40 123.30 2qrt s VAL 12 Ca -0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 2qrt s VAL 12 Cb -0.14 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 2qrt s VAL 12 CO -0.03 0.39 0.90 -0.94 0.00 0.00 0.00 175.10 175.42 2qrt s SER 13 N 1.58 6.51 -0.47 3.32 1.04 -0.57 -0.51 113.70 124.60 2qrt s SER 13 Ca 0.04 1.34 0.06 0.00 0.48 0.00 0.00 55.95 57.87 2qrt s SER 13 Cb -0.13 -2.42 0.23 0.00 0.10 0.00 0.00 66.02 63.81 2qrt s SER 13 CO -0.08 -0.55 0.77 -2.11 0.98 0.00 0.00 173.24 172.25 2qrt n ARG 14 N -1.67 0.70 -1.67 4.02 1.85 -1.26 -3.85 116.66 114.78 2qrt n ARG 14 Ca 0.04 -2.10 -0.65 0.00 -1.00 0.00 0.00 57.85 54.14 2qrt n ARG 14 Cb 0.54 -1.43 -0.10 0.00 -1.05 0.00 0.00 32.46 30.42 2qrt n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2qrt n PRO 15 N 1.87 0.00 0.00 2.89 -0.02 -1.26 -1.51 135.00 136.97 2qrt n PRO 15 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2qrt n PRO 15 Cb 0.59 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 3.61 1.91 0.17 -1.23 0.00 -1.26 -4.80 105.19 103.59 2qrt n GLY 16 Ca 0.29 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.00 0.99 4.77 -0.57 -4.85 117.00 117.34 2qrt n LEU 17 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qrt n LEU 17 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qrt n LEU 17 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2qrt n GLY 18 N -0.10 -0.34 3.84 -0.72 0.00 -1.22 -5.00 105.19 101.65 2qrt n GLY 18 Ca 0.00 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 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 2.75 0.44 1.61 0.41 -1.26 -4.54 118.70 118.11 2qrt s GLU 19 Ca 0.00 0.66 -0.25 0.00 -0.41 0.00 0.00 54.97 54.97 2qrt s GLU 19 Cb 0.00 -1.99 -0.09 0.00 -1.78 0.00 0.00 34.13 30.27 2qrt s GLU 19 CO 0.00 -1.16 1.30 -2.30 -0.49 0.00 0.00 175.26 172.62 2qrt n PRO 20 N -3.12 1.95 -3.10 0.39 -0.02 -1.26 -4.71 135.00 125.12 2qrt n PRO 20 Ca 0.07 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 2qrt n PRO 20 Cb 0.56 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 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 -2.34 4.42 -0.06 -0.52 3.52 0.34 -4.87 118.95 119.44 2qrt s ARG 21 Ca 0.62 0.81 0.04 0.00 -0.13 0.00 0.00 55.73 57.07 2qrt s ARG 21 Cb -0.48 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.47 2qrt s ARG 21 CO 0.57 0.11 -0.19 -0.47 -0.81 0.00 0.00 175.30 174.51 2qrt s TYR 22 N 0.66 1.92 -0.01 5.12 5.04 -1.26 -0.70 117.35 128.12 2qrt s TYR 22 Ca 0.35 -0.63 -0.01 0.00 -2.44 0.00 0.00 57.07 54.34 2qrt s TYR 22 Cb -0.17 -1.30 0.00 0.00 0.35 0.00 0.00 41.96 40.84 2qrt s TYR 22 CO 0.17 -0.24 0.03 -1.64 -1.34 0.00 0.00 175.55 172.53 2qrt s MET 23 N 0.17 0.08 -0.10 4.97 -1.94 -0.25 -0.44 119.30 121.79 2qrt s MET 23 Ca -0.08 -0.04 0.02 0.00 -1.71 0.00 0.00 55.69 53.87 2qrt s MET 23 Cb -0.14 0.03 0.01 0.00 2.01 0.00 0.00 34.83 36.75 2qrt s MET 23 CO 0.04 -0.01 -0.15 -1.21 -0.01 0.00 0.00 175.02 173.67 2qrt s GLU 24 N -0.19 2.19 -0.10 2.03 2.02 -0.21 -1.54 118.70 122.90 2qrt s GLU 24 Ca -0.02 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.42 2qrt s GLU 24 Cb -0.02 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.39 2qrt s GLU 24 CO -0.00 -0.04 -0.13 0.08 0.02 0.00 0.00 175.26 175.19 2qrt s VAL 25 N 0.91 1.35 -0.06 2.63 1.01 -0.30 -0.51 120.40 125.43 2qrt s VAL 25 Ca -0.08 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2qrt s VAL 25 Cb -0.15 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2qrt s VAL 25 CO -0.00 0.41 0.06 -0.83 0.00 0.00 0.00 175.10 174.74 2qrt s GLY 26 N 1.11 1.97 -0.01 4.51 0.00 -0.10 -0.48 107.32 114.32 2qrt s GLY 26 Ca -0.05 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.90 2qrt s GLY 26 CO -0.03 -0.62 -0.12 -0.19 0.00 0.00 0.00 173.10 172.15 2qrt s TYR 27 N -1.04 1.04 -0.25 1.90 1.51 0.62 -0.75 117.35 120.38 2qrt s TYR 27 Ca 0.18 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 56.00 2qrt s TYR 27 Cb -0.12 -0.66 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 2qrt s TYR 27 CO 0.07 -0.01 -0.04 0.08 -1.11 0.00 0.00 175.55 174.54 2qrt s VAL 28 N -0.32 3.10 -0.72 0.71 1.01 -0.36 -1.58 120.40 122.24 2qrt s VAL 28 Ca 0.04 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 2qrt s VAL 28 Cb -0.05 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2qrt s VAL 28 CO -0.00 0.21 0.62 0.47 0.00 0.00 0.00 175.10 176.40 2qrt n ASP 29 N 4.71 -5.18 0.00 3.32 8.00 -0.66 -0.79 116.55 125.95 2qrt n ASP 29 Ca -0.16 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.63 2qrt n ASP 29 Cb 0.48 -1.87 0.00 0.00 -0.02 0.00 0.00 41.12 39.70 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 -1.95 0.00 -4.52 -2.24 8.00 -1.26 -4.91 116.55 109.67 2qrt n ASP 30 Ca -0.24 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.84 2qrt n ASP 30 Cb 0.68 -1.95 -0.09 0.00 -0.02 0.00 0.00 41.12 39.74 2qrt n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qrt s THR 31 N -0.89 5.18 0.12 -3.53 2.01 0.03 -5.04 115.64 113.52 2qrt s THR 31 Ca 0.00 -0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.53 2qrt s THR 31 Cb 0.00 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.55 2qrt s THR 31 CO 0.00 -0.18 1.57 -0.70 -0.69 0.00 0.00 174.62 174.62 2qrt s GLU 32 N 1.96 4.22 0.00 4.92 2.12 -1.26 -1.22 118.70 129.44 2qrt s GLU 32 Ca 0.10 2.31 0.00 0.00 0.36 0.00 0.00 54.97 57.74 2qrt s GLU 32 Cb -0.17 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.90 2qrt s GLU 32 CO 0.12 -0.63 0.00 1.97 -0.54 0.00 0.00 175.26 176.18 2qrt n PHE 33 N 4.54 0.00 -3.80 5.30 -1.74 0.07 -4.38 117.46 117.45 2qrt n PHE 33 Ca 0.14 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.92 2qrt n PHE 33 Cb 0.40 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.31 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 -1.15 0.09 -0.21 1.97 -7.23 -1.21 -0.82 120.40 111.84 2qrt s VAL 34 Ca 0.00 -0.72 -0.15 0.00 -1.81 0.00 0.00 61.98 59.29 2qrt s VAL 34 Cb 0.00 -0.81 0.06 0.00 0.56 0.00 0.00 36.38 36.19 2qrt s VAL 34 CO 0.00 -0.40 0.54 -0.60 -0.31 0.00 0.00 175.10 174.33 2qrt s ARG 35 N -2.20 0.58 -0.11 4.82 3.52 -0.74 -0.93 118.95 123.89 2qrt s ARG 35 Ca -0.08 0.88 0.03 0.00 -0.13 0.00 0.00 55.73 56.43 2qrt s ARG 35 Cb -0.02 0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.54 2qrt s ARG 35 CO -0.02 -0.12 -0.19 0.12 -0.81 0.00 0.00 175.30 174.28 2qrt s PHE 36 N 0.94 2.27 -0.17 5.12 2.19 0.34 -1.18 117.98 127.48 2qrt s PHE 36 Ca -0.05 -1.02 -0.02 0.00 0.33 0.00 0.00 56.93 56.17 2qrt s PHE 36 Cb -0.05 -1.57 0.05 0.00 -1.31 0.00 0.00 43.02 40.14 2qrt s PHE 36 CO -0.08 -0.46 0.02 0.34 1.83 0.00 0.00 175.22 176.86 2qrt s ASP 37 N 0.68 2.76 0.63 6.13 -1.08 -1.26 -1.05 116.67 123.47 2qrt s ASP 37 Ca -0.12 -0.71 0.38 0.00 -0.52 0.00 0.00 52.55 51.58 2qrt s ASP 37 Cb -0.16 -0.64 2.08 0.00 -1.46 0.00 0.00 42.92 42.74 2qrt s ASP 37 CO 0.03 -0.27 2.17 0.77 0.52 0.00 0.00 175.17 178.38 2qrt h SER 38 N 8.23 0.00 0.64 -0.34 4.64 -1.15 -1.89 113.55 123.69 2qrt h SER 38 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2qrt h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2qrt h SER 38 CO 0.34 0.00 -0.08 0.47 -0.87 0.00 0.00 176.83 176.68 2qrt n ASP 39 N -2.92 0.18 -4.78 4.97 9.92 -1.26 -4.72 116.55 117.93 2qrt n ASP 39 Ca -0.03 -0.06 -0.31 0.00 -0.53 0.00 0.00 54.79 53.86 2qrt n ASP 39 Cb 0.15 -0.24 0.08 0.00 -0.64 0.00 0.00 41.12 40.47 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 -2.73 2.38 0.04 2.24 0.00 -0.71 -4.95 121.76 118.03 2qrt s ALA 40 Ca 0.22 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 2qrt s ALA 40 Cb 0.19 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 2qrt s ALA 40 CO 0.51 -1.61 1.12 0.39 0.00 0.00 0.00 175.76 176.18 2qrt n GLU 41 N -3.39 -0.12 -3.84 0.00 -0.58 -1.26 -3.70 120.64 107.75 2qrt n GLU 41 Ca 0.09 1.11 -0.30 0.00 -0.42 0.00 0.00 57.16 57.64 2qrt n GLU 41 Cb 0.53 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.61 2qrt n GLU 41 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2qrt s ASN 42 N -3.69 4.01 -0.42 1.62 3.04 -1.26 -5.09 114.94 113.15 2qrt s ASN 42 Ca -0.03 -2.80 -0.37 0.00 0.04 0.00 0.00 52.86 49.70 2qrt s ASN 42 Cb 0.03 -1.35 -0.16 0.00 -1.54 0.00 0.00 41.25 38.23 2qrt s ASN 42 CO 0.17 -0.25 1.74 -0.81 -3.04 0.00 0.00 177.10 174.91 2qrt n PRO 43 N 3.36 0.00 -3.68 0.43 -0.04 -1.24 -4.97 135.00 128.85 2qrt n PRO 43 Ca 0.06 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2qrt n PRO 43 Cb 0.33 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 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 4.73 0.90 0.29 0.54 0.52 -1.26 -5.04 118.95 119.62 2qrt s ARG 44 Ca 0.99 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 55.53 2qrt s ARG 44 Cb -1.26 0.40 -0.10 0.00 0.52 0.00 0.00 34.95 34.51 2qrt s ARG 44 CO 0.57 -0.30 1.31 0.71 0.02 0.00 0.00 175.30 177.61 2qrt s TYR 45 N -2.46 3.12 0.02 -0.53 1.51 -1.26 -4.51 117.35 113.24 2qrt s TYR 45 Ca -0.05 1.33 0.03 0.00 -1.01 0.00 0.00 57.07 57.37 2qrt s TYR 45 Cb -0.01 -3.66 -0.01 0.00 -0.11 0.00 0.00 41.96 38.17 2qrt s TYR 45 CO -0.02 -1.90 -0.08 -1.83 -1.11 0.00 0.00 175.55 170.61 2qrt s GLU 46 N -1.20 0.59 0.44 -0.62 -1.05 -0.33 -4.97 118.70 111.56 2qrt s GLU 46 Ca 0.52 -0.48 -0.24 0.00 -0.15 0.00 0.00 54.97 54.62 2qrt s GLU 46 Cb -0.39 -0.52 -0.08 0.00 -0.44 0.00 0.00 34.13 32.71 2qrt s GLU 46 CO 0.48 0.13 1.17 -1.25 0.95 0.00 0.00 175.26 176.73 2qrt s PRO 47 N -0.76 3.85 0.00 -4.83 0.04 -1.26 -1.79 135.00 130.25 2qrt s PRO 47 Ca -0.01 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2qrt s PRO 47 Cb -0.06 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2qrt s PRO 47 CO 0.00 -0.48 0.53 0.54 0.04 0.00 0.00 177.00 177.63 2qrt n ARG 48 N -0.30 0.07 -4.04 4.56 5.12 0.00 -4.88 116.66 117.20 2qrt n ARG 48 Ca 0.06 -0.64 -0.17 0.00 -1.93 0.00 0.00 57.85 55.18 2qrt n ARG 48 Cb 0.47 -0.89 -0.15 0.00 -1.16 0.00 0.00 32.46 30.73 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 -0.21 0.39 0.45 7.54 0.00 -1.24 -4.74 121.76 123.94 2qrt s ALA 49 Ca 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 51.96 52.14 2qrt s ALA 49 Cb 0.00 -0.23 1.16 0.00 0.00 0.00 0.00 23.12 24.05 2qrt s ALA 49 CO 0.00 0.01 1.90 -0.09 0.00 0.00 0.00 175.76 177.58 2qrt h ARG 50 N 6.71 0.30 0.00 0.00 9.65 -1.94 -1.30 114.38 127.80 2qrt h ARG 50 Ca -0.35 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 2qrt h ARG 50 Cb 1.16 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2qrt h ARG 50 CO 0.49 0.20 0.00 -2.67 2.80 0.00 0.00 179.97 180.79 2qrt n TRP 51 N -4.45 0.00 1.13 2.20 4.27 -1.26 -1.95 117.44 117.38 2qrt n TRP 51 Ca 0.16 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.90 2qrt n TRP 51 Cb 0.67 -0.32 0.35 0.00 -1.36 0.00 0.00 31.31 30.65 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 -1.32 0.39 0.00 -2.67 2.81 -0.49 -3.74 117.12 112.10 2qrt n MET 52 Ca 0.06 -0.21 0.05 0.00 -1.81 0.00 0.00 57.70 55.79 2qrt n MET 52 Cb 0.12 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.12 0.02 0.07 0.03 1.02 -0.82 -2.12 120.64 117.72 2qrt n GLU 53 Ca 0.09 0.29 -0.06 0.00 -0.02 0.00 0.00 57.16 57.47 2qrt n GLU 53 Cb 0.34 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.37 2qrt n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2qrt h GLN 54 N 0.00 0.30 -6.69 3.49 4.20 -1.79 -3.44 115.11 111.18 2qrt h GLN 54 Ca 0.00 -0.20 -0.53 0.00 0.06 0.00 0.00 58.65 57.99 2qrt h GLN 54 Cb 0.18 0.03 0.05 0.00 0.30 0.00 0.00 27.48 28.04 2qrt h GLN 54 CO 0.00 0.79 0.84 -1.21 -0.67 0.00 0.00 178.83 178.59 2qrt s GLU 55 N -3.84 4.21 1.00 1.46 0.41 -0.90 -5.00 118.70 116.04 2qrt s GLU 55 Ca -0.05 2.38 -0.17 0.00 -0.41 0.00 0.00 54.97 56.73 2qrt s GLU 55 Cb 0.12 -3.11 0.24 0.00 -1.78 0.00 0.00 34.13 29.59 2qrt s GLU 55 CO 0.80 -0.55 1.20 0.41 -0.49 0.00 0.00 175.26 176.63 2qrt n GLY 56 N 2.97 -1.86 0.37 -1.39 0.00 -1.26 -4.88 105.19 99.13 2qrt n GLY 56 Ca 0.11 -1.64 0.09 0.00 0.00 0.00 0.00 46.02 44.57 2qrt n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qrt h PRO 57 N 0.00 0.77 -0.29 1.61 0.13 -1.98 -2.46 132.00 129.78 2qrt h PRO 57 Ca -0.40 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 2qrt h PRO 57 Cb 1.15 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2qrt h PRO 57 CO 0.28 0.51 -0.03 0.93 -0.23 0.00 0.00 178.00 179.46 2qrt h GLU 58 N 0.80 0.45 0.56 0.86 5.08 -1.99 -0.26 114.58 120.09 2qrt h GLU 58 Ca 0.41 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2qrt h GLU 58 Cb 0.50 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2qrt h GLU 58 CO -0.18 0.51 -0.27 -0.92 -1.00 0.00 0.00 179.01 177.15 2qrt h TYR 59 N 0.44 -0.70 -0.79 4.33 3.20 -1.80 -1.41 116.97 120.23 2qrt h TYR 59 Ca 0.09 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.01 2qrt h TYR 59 Cb 0.34 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 2qrt h TYR 59 CO 0.01 -0.38 0.48 -1.49 -1.64 0.00 0.00 178.16 175.14 2qrt h TRP 60 N -0.92 0.88 -0.03 -3.82 4.06 -1.47 -1.05 115.95 113.59 2qrt h TRP 60 Ca -0.08 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 2qrt h TRP 60 Cb 0.64 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 2qrt h TRP 60 CO -0.01 0.44 0.02 1.49 -3.56 0.00 0.00 178.44 176.82 2qrt h GLU 61 N 0.87 0.05 -0.56 0.49 4.57 -1.01 -0.54 114.58 118.46 2qrt h GLU 61 Ca 0.35 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.54 2qrt h GLU 61 Cb 0.18 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 2qrt h GLU 61 CO -0.18 0.13 0.35 -0.09 -1.18 0.00 0.00 179.01 178.04 2qrt h ARG 62 N -0.05 0.67 -0.49 1.92 2.43 -0.80 -1.24 114.38 116.83 2qrt h ARG 62 Ca 0.01 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2qrt h ARG 62 Cb 0.10 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2qrt h ARG 62 CO -0.00 0.45 -0.12 0.93 -1.51 0.00 0.00 179.97 179.72 2qrt h GLU 63 N 0.69 0.94 -0.41 0.20 4.39 -1.12 -1.78 114.58 117.50 2qrt h GLU 63 Ca 0.22 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 2qrt h GLU 63 Cb -0.01 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2qrt h GLU 63 CO -0.08 1.02 0.17 1.15 -1.16 0.00 0.00 179.01 180.11 2qrt h THR 64 N 0.80 1.19 -0.20 1.13 2.02 -0.82 -0.99 112.91 116.04 2qrt h THR 64 Ca 0.12 -0.58 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 2qrt h THR 64 Cb 0.67 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2qrt h THR 64 CO 0.05 0.21 -0.32 1.56 0.37 0.00 0.00 175.52 177.39 2qrt h GLN 65 N 0.52 0.40 -0.41 6.66 1.08 -1.16 -2.18 115.11 120.02 2qrt h GLN 65 Ca 0.14 -0.17 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 2qrt h GLN 65 Cb 0.17 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2qrt h GLN 65 CO -0.01 0.68 -0.20 -0.22 -0.95 0.00 0.00 178.83 178.12 2qrt h LYS 66 N 0.35 0.81 -0.63 1.46 3.64 -1.13 -1.94 116.57 119.12 2qrt h LYS 66 Ca 0.04 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 2qrt h LYS 66 Cb 0.74 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 2qrt h LYS 66 CO 0.06 0.94 0.21 0.00 -2.27 0.00 0.00 179.45 178.38 2qrt h ALA 67 N 1.06 0.82 -0.09 5.00 0.00 -0.84 0.47 119.26 125.69 2qrt h ALA 67 Ca 0.10 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2qrt h ALA 67 Cb 0.72 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2qrt h ALA 67 CO 0.06 0.49 -0.34 0.87 0.00 0.00 0.00 179.25 180.32 2qrt h LYS 68 N 0.90 0.18 -0.19 0.00 1.57 -1.22 0.18 116.57 117.98 2qrt h LYS 68 Ca 0.20 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 2qrt h LYS 68 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2qrt h LYS 68 CO -0.01 0.51 -0.42 0.78 -0.57 0.00 0.00 179.45 179.74 2qrt h GLY 69 N 1.11 0.69 1.01 3.86 0.00 -0.92 -3.04 103.07 105.77 2qrt h GLY 69 Ca 0.02 -0.83 0.01 0.00 0.00 0.00 0.00 47.33 46.53 2qrt h GLY 69 CO 0.05 0.74 0.45 3.43 0.00 0.00 0.00 176.54 181.21 2qrt h ASN 70 N 0.31 0.78 -0.99 0.19 2.35 -0.45 -2.24 115.58 115.53 2qrt h ASN 70 Ca 0.00 -0.02 0.20 0.00 -0.55 0.00 0.00 56.30 55.93 2qrt h ASN 70 Cb 1.02 -0.20 -0.11 0.00 0.05 0.00 0.00 38.32 39.09 2qrt h ASN 70 CO 0.09 0.57 0.59 -0.08 -1.65 0.00 0.00 177.43 176.96 2qrt h GLU 71 N 0.92 0.69 -0.66 0.81 4.81 -0.60 -0.64 114.58 119.91 2qrt h GLU 71 Ca 0.25 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2qrt h GLU 71 Cb -0.10 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 2qrt h GLU 71 CO -0.05 0.46 0.28 1.96 -0.73 0.00 0.00 179.01 180.92 2qrt h GLN 72 N 0.71 0.99 -0.67 1.92 1.08 -1.29 -0.40 115.11 117.45 2qrt h GLN 72 Ca 0.59 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.61 2qrt h GLN 72 Cb 0.96 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 2qrt h GLN 72 CO -0.40 0.81 0.40 0.77 -0.95 0.00 0.00 178.83 179.46 2qrt h SER 73 N 0.94 0.80 0.36 1.46 0.02 -1.06 -1.49 113.55 114.58 2qrt h SER 73 Ca 0.22 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 2qrt h SER 73 Cb 0.19 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2qrt h SER 73 CO -0.02 0.63 -0.51 -0.26 -1.14 0.00 0.00 176.83 175.52 2qrt h PHE 74 N 0.90 0.22 -0.53 3.45 -1.00 -1.15 -0.27 116.94 118.57 2qrt h PHE 74 Ca 0.24 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 2qrt h PHE 74 Cb -0.02 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 2qrt h PHE 74 CO -0.02 0.65 0.24 -0.09 -1.61 0.00 0.00 178.31 177.49 2qrt h ARG 75 N 0.14 0.77 -0.37 1.51 2.43 -0.62 0.62 114.38 118.86 2qrt h ARG 75 Ca 0.00 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 2qrt h ARG 75 Cb 0.96 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2qrt h ARG 75 CO 0.08 0.64 -0.13 0.28 -1.51 0.00 0.00 179.97 179.33 2qrt h VAL 76 N 0.71 1.28 -0.68 0.20 2.07 -1.00 -2.84 116.25 115.99 2qrt h VAL 76 Ca 0.18 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 2qrt h VAL 76 Cb 0.14 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2qrt h VAL 76 CO -0.02 0.41 0.25 0.44 0.02 0.00 0.00 177.57 178.67 2qrt h ASP 77 N 0.54 0.94 -0.77 0.57 3.32 -0.78 -1.56 116.42 118.68 2qrt h ASP 77 Ca 0.09 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.00 2qrt h ASP 77 Cb 0.67 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 2qrt h ASP 77 CO 0.05 0.86 0.51 -0.07 -1.72 0.00 0.00 179.24 178.87 2qrt h LEU 78 N 1.00 0.88 -0.23 1.55 3.38 -0.76 0.32 115.31 121.45 2qrt h LEU 78 Ca 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2qrt h LEU 78 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2qrt h LEU 78 CO -0.02 0.64 0.15 0.03 0.09 0.00 0.00 178.44 179.33 2qrt h ARG 79 N 1.04 0.30 -0.09 1.13 3.08 -1.16 -3.06 114.38 115.64 2qrt h ARG 79 Ca 0.28 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 60.13 2qrt h ARG 79 Cb -0.12 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 2qrt h ARG 79 CO -0.06 0.21 -0.72 1.79 -1.07 0.00 0.00 179.97 180.12 2qrt h THR 80 N 0.30 1.37 0.00 2.04 1.35 -1.04 -3.16 112.91 113.77 2qrt h THR 80 Ca 0.08 -2.11 -0.01 0.00 -0.55 0.00 0.00 66.41 63.83 2qrt h THR 80 Cb -0.02 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2qrt h THR 80 CO -0.02 0.64 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.79 2qrt h LEU 81 N 0.30 0.00 0.01 3.87 3.38 -0.88 -2.19 115.31 119.80 2qrt h LEU 81 Ca -0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2qrt h LEU 81 Cb 1.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 2qrt h LEU 81 CO 0.13 0.03 -0.13 -0.07 0.09 0.00 0.00 178.44 178.49 2qrt h LEU 82 N 0.00 -0.38 -0.52 1.67 3.38 -1.49 -2.12 115.31 115.86 2qrt h LEU 82 Ca -0.00 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2qrt h LEU 82 Cb 0.07 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2qrt h LEU 82 CO 0.00 -0.19 0.06 1.23 0.09 0.00 0.00 178.44 179.64 2qrt h GLY 83 N -0.23 0.94 2.00 0.83 0.00 -1.56 -1.25 103.07 103.80 2qrt h GLY 83 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2qrt h GLY 83 CO -0.12 0.60 0.00 0.00 0.00 0.00 0.00 176.54 177.02 2qrt n TYR 85 N -3.30 0.28 -3.84 0.00 4.01 -0.82 -2.12 117.16 111.37 2qrt n TYR 85 Ca -0.03 -0.47 -0.26 0.00 -0.16 0.00 0.00 57.90 56.97 2qrt n TYR 85 Cb 0.07 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.09 2qrt n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2qrt n ASN 86 N 0.17 -2.83 -4.93 7.72 5.15 -0.57 -2.15 115.26 117.82 2qrt n ASN 86 Ca 0.07 -0.83 -0.30 0.00 -0.60 0.00 0.00 54.58 52.93 2qrt n ASN 86 Cb 0.35 -3.84 -0.04 0.00 -0.53 0.00 0.00 39.78 35.73 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 -6.36 3.44 0.78 1.20 -0.21 -0.53 -3.80 119.66 114.17 2qrt s GLN 87 Ca 0.33 -0.49 -0.13 0.00 0.02 0.00 0.00 55.36 55.09 2qrt s GLN 87 Cb -0.17 -3.02 0.07 0.00 1.00 0.00 0.00 33.01 30.89 2qrt s GLN 87 CO 0.83 0.58 1.18 -1.12 -2.12 0.00 0.00 175.29 174.65 2qrt s SER 88 N -2.73 3.90 0.05 5.90 0.01 -1.26 -4.71 113.70 114.86 2qrt s SER 88 Ca 0.35 2.27 0.28 0.00 1.31 0.00 0.00 55.95 60.16 2qrt s SER 88 Cb -0.12 -2.58 1.10 0.00 0.21 0.00 0.00 66.02 64.63 2qrt s SER 88 CO 0.28 -2.45 1.86 1.17 0.41 0.00 0.00 173.24 174.51 2qrt n LYS 89 N -3.17 0.06 -0.49 12.44 4.81 -1.26 -3.92 118.16 126.63 2qrt n LYS 89 Ca 0.13 0.05 0.10 0.00 -0.87 0.00 0.00 58.31 57.71 2qrt n LYS 89 Cb 0.51 -1.57 0.32 0.00 0.02 0.00 0.00 35.03 34.32 2qrt n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qrt n GLY 90 N 1.46 2.73 3.95 3.14 0.00 -1.26 -4.92 105.19 110.29 2qrt n GLY 90 Ca 0.07 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.99 1.49 0.01 -0.02 0.00 -1.25 -4.63 107.32 101.92 2qrt s GLY 91 Ca 0.48 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 44.01 2qrt s GLY 91 CO 0.26 -0.96 0.58 -0.45 0.00 0.00 0.00 173.10 172.53 2qrt s SER 92 N -3.65 6.97 0.14 1.64 0.15 -1.26 -4.60 113.70 113.09 2qrt s SER 92 Ca 0.37 1.16 0.02 0.00 0.70 0.00 0.00 55.95 58.20 2qrt s SER 92 Cb -0.10 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2qrt s SER 92 CO 0.31 0.14 -0.03 -1.00 1.20 0.00 0.00 173.24 173.86 2qrt s HIS 93 N -0.37 1.10 0.01 3.44 3.76 -1.25 -4.95 115.29 117.02 2qrt s HIS 93 Ca 0.30 -0.97 0.04 0.00 -0.15 0.00 0.00 55.06 54.28 2qrt s HIS 93 Cb -0.18 -0.62 -0.01 0.00 1.11 0.00 0.00 32.58 32.87 2qrt s HIS 93 CO 0.17 -0.18 -0.12 0.99 -0.85 0.00 0.00 174.74 174.75 2qrt s THR 94 N -3.63 0.97 -0.07 1.30 2.01 -1.26 -1.52 115.64 113.44 2qrt s THR 94 Ca 0.19 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.57 2qrt s THR 94 Cb 0.06 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 2qrt s THR 94 CO 0.01 0.17 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.26 2qrt s ILE 95 N -0.48 2.36 0.07 1.82 1.01 -0.20 -0.14 121.20 125.64 2qrt s ILE 95 Ca 0.03 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.79 2qrt s ILE 95 Cb -0.06 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 2qrt s ILE 95 CO 0.00 0.56 -0.14 -1.10 0.00 0.00 0.00 174.94 174.26 2qrt s GLN 96 N -0.11 0.84 -0.01 2.79 -0.21 -0.20 -1.05 119.66 121.71 2qrt s GLN 96 Ca -0.04 -0.98 -0.04 0.00 0.02 0.00 0.00 55.36 54.32 2qrt s GLN 96 Cb -0.14 -0.85 0.00 0.00 1.00 0.00 0.00 33.01 33.02 2qrt s GLN 96 CO 0.04 0.19 0.09 0.08 -2.12 0.00 0.00 175.29 173.57 2qrt s VAL 97 N -1.32 0.06 -0.14 1.09 1.01 -0.42 -1.38 120.40 119.29 2qrt s VAL 97 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2qrt s VAL 97 Cb -0.10 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.02 2qrt s VAL 97 CO 0.02 -0.25 -0.12 -0.63 0.00 0.00 0.00 175.10 174.12 2qrt s ILE 98 N -0.83 1.38 -0.03 2.22 1.01 -0.28 -0.84 121.20 123.83 2qrt s ILE 98 Ca -0.09 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2qrt s ILE 98 Cb -0.05 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.10 2qrt s ILE 98 CO 0.00 0.43 -0.07 -0.55 0.00 0.00 0.00 174.94 174.76 2qrt s SER 99 N 1.56 1.03 0.00 3.58 0.15 -0.61 -1.11 113.70 118.31 2qrt s SER 99 Ca 0.05 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2qrt s SER 99 Cb -0.13 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2qrt s SER 99 CO -0.10 0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2qrt n GLY 100 N 3.64 -1.59 3.10 9.45 0.00 -0.31 -0.22 105.19 119.26 2qrt n GLY 100 Ca -0.22 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.25 3.09 -0.03 0.00 2.12 0.59 -0.96 118.70 122.26 2qrt s GLU 102 Ca -0.03 -0.82 0.07 0.00 0.36 0.00 0.00 54.97 54.55 2qrt s GLU 102 Cb -0.08 -2.48 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 2qrt s GLU 102 CO 0.01 0.03 -0.24 0.08 -0.54 0.00 0.00 175.26 174.59 2qrt s VAL 103 N 0.74 1.94 0.94 3.70 1.01 0.91 0.54 120.40 130.17 2qrt s VAL 103 Ca -0.08 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 2qrt s VAL 103 Cb -0.16 -1.62 0.16 0.00 0.00 0.00 0.00 36.38 34.77 2qrt s VAL 103 CO 0.00 0.55 1.20 -0.83 0.00 0.00 0.00 175.10 176.02 2qrt s GLY 104 N -0.50 1.64 0.40 4.51 0.00 -0.19 -1.11 107.32 112.08 2qrt s GLY 104 Ca 0.07 -0.80 0.28 0.00 0.00 0.00 0.00 44.72 44.28 2qrt s GLY 104 CO -0.00 -0.15 1.86 1.48 0.00 0.00 0.00 173.10 176.28 2qrt h SER 105 N -1.59 0.00 -0.13 1.64 4.64 -1.90 0.42 113.55 116.63 2qrt h SER 105 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2qrt h SER 105 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2qrt h SER 105 CO 0.52 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.58 2qrt n ASP 106 N -2.54 1.76 0.00 4.97 5.75 -1.26 -4.92 116.55 120.32 2qrt n ASP 106 Ca -0.00 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 2qrt n ASP 106 Cb 0.15 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2qrt n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qrt n GLY 107 N 1.17 0.67 3.83 6.12 0.00 0.14 -5.03 105.19 112.09 2qrt n GLY 107 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.07 4.03 0.05 1.61 1.81 -1.26 -4.82 118.95 120.30 2qrt s ARG 108 Ca 0.00 0.54 -0.31 0.00 -1.72 0.00 0.00 55.73 54.25 2qrt s ARG 108 Cb 0.00 -3.04 -0.07 0.00 -0.45 0.00 0.00 34.95 31.39 2qrt s ARG 108 CO 0.00 0.54 1.56 -1.17 -0.68 0.00 0.00 175.30 175.55 2qrt s LEU 109 N -1.66 4.35 -0.16 2.53 2.96 -1.26 -1.02 118.68 124.41 2qrt s LEU 109 Ca 0.34 2.36 -0.02 0.00 -0.22 0.00 0.00 54.13 56.59 2qrt s LEU 109 Cb -0.16 -3.56 -0.23 0.00 0.50 0.00 0.00 46.19 42.73 2qrt s LEU 109 CO 0.19 -0.83 0.18 0.18 -1.32 0.00 0.00 176.35 174.74 2qrt n LEU 110 N 5.49 2.60 -3.67 -0.68 4.77 0.19 -4.88 117.00 120.81 2qrt n LEU 110 Ca 0.15 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 2qrt n LEU 110 Cb 0.42 -0.95 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 2qrt n LEU 110 CO 0.61 0.85 0.27 -0.60 -1.33 0.00 0.00 177.39 177.20 2qrt s ARG 111 N -2.55 0.68 -0.04 3.23 6.06 -0.96 -4.99 118.95 120.39 2qrt s ARG 111 Ca -0.25 0.80 0.06 0.00 -2.50 0.00 0.00 55.73 53.83 2qrt s ARG 111 Cb 0.07 0.33 -0.02 0.00 0.06 0.00 0.00 34.95 35.40 2qrt s ARG 111 CO 0.72 -0.08 -0.21 0.20 -2.50 0.00 0.00 175.30 173.42 2qrt s GLY 112 N 0.28 1.38 -0.03 8.12 0.00 -1.26 -0.30 107.32 115.52 2qrt s GLY 112 Ca -0.00 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.74 2qrt s GLY 112 CO 0.01 -0.80 -0.23 -0.19 0.00 0.00 0.00 173.10 171.88 2qrt s TYR 113 N -0.56 2.17 -0.44 1.90 2.02 0.16 -4.87 117.35 117.72 2qrt s TYR 113 Ca 0.08 -0.49 0.06 0.00 -0.37 0.00 0.00 57.07 56.35 2qrt s TYR 113 Cb -0.11 -1.41 0.18 0.00 -0.40 0.00 0.00 41.96 40.22 2qrt s TYR 113 CO 0.00 -0.09 0.58 -1.14 -1.57 0.00 0.00 175.55 173.33 2qrt s GLN 114 N -0.41 0.89 -0.01 -0.62 2.00 -1.23 -1.16 119.66 119.12 2qrt s GLN 114 Ca 0.05 -0.92 0.06 0.00 -2.00 0.00 0.00 55.36 52.54 2qrt s GLN 114 Cb -0.10 -0.32 -0.02 0.00 0.80 0.00 0.00 33.01 33.37 2qrt s GLN 114 CO 0.00 -1.27 -0.18 1.14 -0.50 0.00 0.00 175.29 174.49 2qrt s GLN 115 N 1.17 1.42 0.21 1.67 -2.07 -0.27 -0.96 119.66 120.83 2qrt s GLN 115 Ca 0.24 -0.67 0.11 0.00 -1.82 0.00 0.00 55.36 53.22 2qrt s GLN 115 Cb -0.04 -1.39 -0.05 0.00 -1.09 0.00 0.00 33.01 30.45 2qrt s GLN 115 CO -0.07 0.38 -0.23 0.71 -1.32 0.00 0.00 175.29 174.76 2qrt s TYR 116 N -0.47 2.25 -0.01 9.60 1.51 0.42 -1.12 117.35 129.52 2qrt s TYR 116 Ca 0.07 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2qrt s TYR 116 Cb -0.07 -1.09 -0.00 0.00 -0.11 0.00 0.00 41.96 40.69 2qrt s TYR 116 CO -0.00 0.52 0.04 0.00 -1.11 0.00 0.00 175.55 175.00 2qrt s ALA 117 N -1.87 -0.09 -0.12 3.71 0.00 -0.48 -1.12 121.76 121.79 2qrt s ALA 117 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.15 2qrt s ALA 117 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2qrt s ALA 117 CO 0.10 -0.08 -0.23 -0.47 0.00 0.00 0.00 175.76 175.09 2qrt s TYR 118 N -0.47 2.59 -1.63 0.00 5.04 -0.31 -1.03 117.35 121.53 2qrt s TYR 118 Ca -0.05 -1.17 -0.16 0.00 -2.44 0.00 0.00 57.07 53.24 2qrt s TYR 118 Cb -0.03 -1.74 0.13 0.00 0.35 0.00 0.00 41.96 40.66 2qrt s TYR 118 CO -0.00 -0.51 0.85 -0.25 -1.34 0.00 0.00 175.55 174.31 2qrt n ASP 119 N 3.78 -3.79 0.00 4.32 8.00 0.80 -1.66 116.55 128.01 2qrt n ASP 119 Ca -0.19 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.38 2qrt n ASP 119 Cb 0.52 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 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 -1.53 0.76 3.34 0.44 0.00 -1.26 -4.57 105.19 102.37 2qrt n GLY 120 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 2.50 0.43 0.02 0.00 8.00 -1.26 -1.16 116.55 125.09 2qrt n ASP 122 Ca -0.16 1.16 -0.01 0.00 0.71 0.00 0.00 54.79 56.49 2qrt n ASP 122 Cb 0.51 -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 0.40 0.00 -3.71 1.24 9.36 -0.28 -4.64 117.16 119.53 2qrt n TYR 123 Ca 0.14 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.22 2qrt n TYR 123 Cb 0.28 -0.04 -0.09 0.00 -0.63 0.00 0.00 39.34 38.87 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 -1.66 0.03 -0.02 2.97 2.07 -1.20 -0.41 121.20 122.99 2qrt s ILE 124 Ca -0.02 -0.27 -0.07 0.00 -1.41 0.00 0.00 60.65 58.87 2qrt s ILE 124 Cb 0.00 -0.67 0.01 0.00 0.13 0.00 0.00 42.46 41.93 2qrt s ILE 124 CO 0.03 -0.15 0.16 0.00 -1.91 0.00 0.00 174.94 173.07 2qrt s ALA 125 N -0.89 -0.38 0.04 1.50 0.00 -0.61 -0.44 121.76 120.98 2qrt s ALA 125 Ca -0.10 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 2qrt s ALA 125 Cb -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2qrt s ALA 125 CO 0.04 -0.17 1.03 -1.17 0.00 0.00 0.00 175.76 175.49 2qrt s LEU 126 N -0.95 4.40 0.76 0.00 2.96 -0.13 -0.92 118.68 124.79 2qrt s LEU 126 Ca -0.10 1.78 -0.11 0.00 -0.22 0.00 0.00 54.13 55.48 2qrt s LEU 126 Cb -0.06 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.10 2qrt s LEU 126 CO 0.01 -0.27 1.08 0.20 -1.32 0.00 0.00 176.35 176.05 2qrt s ASN 127 N 0.80 4.88 0.56 3.68 0.01 0.10 -4.66 114.94 120.32 2qrt s ASN 127 Ca 0.53 1.38 0.28 0.00 -0.71 0.00 0.00 52.86 54.33 2qrt s ASN 127 Cb -0.24 -2.16 1.48 0.00 0.41 0.00 0.00 41.25 40.74 2qrt s ASN 127 CO 0.29 -1.73 1.97 -0.33 -1.51 0.00 0.00 177.10 175.78 2qrt h GLU 128 N -0.92 0.00 0.00 -0.60 5.08 -1.89 0.34 114.58 116.59 2qrt h GLU 128 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2qrt h GLU 128 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2qrt h GLU 128 CO 0.59 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.20 2qrt n ASP 129 N -4.02 0.30 -2.08 1.42 5.68 -1.26 -4.85 116.55 111.74 2qrt n ASP 129 Ca 0.09 0.57 -0.21 0.00 -0.50 0.00 0.00 54.79 54.74 2qrt n ASP 129 Cb 0.62 -0.64 -0.04 0.00 -1.14 0.00 0.00 41.12 39.92 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 -1.83 -1.77 0.00 -2.12 4.77 0.12 -4.78 117.00 111.38 2qrt n LEU 130 Ca 0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2qrt n LEU 130 Cb 0.22 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.40 2qrt n LEU 130 CO 0.18 -0.57 -0.29 0.29 -1.33 0.00 0.00 177.39 175.67 2qrt n LYS 131 N -2.76 1.84 -4.54 3.23 5.02 -1.26 -4.63 118.16 115.06 2qrt n LYS 131 Ca -0.23 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.80 2qrt n LYS 131 Cb 0.69 -0.79 -0.10 0.00 -0.02 0.00 0.00 35.03 34.80 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 -1.58 2.22 0.18 -0.18 -4.23 -1.26 -4.83 115.64 105.95 2qrt s THR 132 Ca 0.00 -2.20 0.10 0.00 -1.18 0.00 0.00 61.69 58.40 2qrt s THR 132 Cb 0.00 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2qrt s THR 132 CO 0.00 -0.21 -0.16 0.26 -0.54 0.00 0.00 174.62 173.97 2qrt s TRP 133 N -2.63 2.50 -0.29 3.99 0.52 -1.26 -0.72 118.94 121.05 2qrt s TRP 133 Ca 0.32 -0.28 -0.00 0.00 0.02 0.00 0.00 56.10 56.16 2qrt s TRP 133 Cb 0.02 -1.24 0.05 0.00 -1.15 0.00 0.00 33.47 31.16 2qrt s TRP 133 CO 0.16 0.49 -0.04 0.99 0.02 0.00 0.00 176.95 178.57 2qrt s THR 134 N -1.61 2.72 -0.16 2.01 2.01 -0.10 -4.89 115.64 115.61 2qrt s THR 134 Ca 0.22 -1.47 -0.17 0.00 0.31 0.00 0.00 61.69 60.58 2qrt s THR 134 Cb -0.09 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 2qrt s THR 134 CO 0.12 -0.08 0.45 0.00 -0.69 0.00 0.00 174.62 174.43 2qrt s ALA 135 N 1.20 3.52 -0.60 7.40 0.00 -1.26 -1.58 121.76 130.45 2qrt s ALA 135 Ca -0.07 -0.34 0.25 0.00 0.00 0.00 0.00 51.96 51.80 2qrt s ALA 135 Cb -0.20 -2.66 0.57 0.00 0.00 0.00 0.00 23.12 20.83 2qrt s ALA 135 CO -0.02 -0.17 1.66 0.00 0.00 0.00 0.00 175.76 177.23 2qrt h ALA 136 N 7.05 0.96 -3.72 0.00 0.00 -0.99 -3.48 119.26 119.08 2qrt h ALA 136 Ca -0.38 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 2qrt h ALA 136 Cb 1.17 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2qrt h ALA 136 CO 0.74 0.00 -0.07 -0.40 0.00 0.00 0.00 179.25 179.52 2qrt n ASP 137 N -2.60 -1.35 0.07 0.00 5.68 -1.26 -5.00 116.55 112.08 2qrt n ASP 137 Ca 0.05 -2.65 -0.12 0.00 -0.50 0.00 0.00 54.79 51.57 2qrt n ASP 137 Cb 0.47 2.46 -0.06 0.00 -1.14 0.00 0.00 41.12 42.86 2qrt n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2qrt h MET 138 N 0.00 -0.19 -1.01 0.11 1.85 -1.97 -2.82 114.93 110.91 2qrt h MET 138 Ca -0.25 0.01 0.11 0.00 -0.61 0.00 0.00 59.70 58.97 2qrt h MET 138 Cb 1.07 0.04 -0.08 0.00 0.43 0.00 0.00 31.60 33.06 2qrt h MET 138 CO 0.34 -0.12 0.64 0.00 -0.40 0.00 0.00 176.91 177.36 2qrt h ALA 139 N 0.75 1.51 0.00 0.39 0.00 -1.97 -0.50 119.26 119.44 2qrt h ALA 139 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qrt h ALA 139 Cb 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qrt h ALA 139 CO -0.08 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2qrt h ALA 140 N 1.53 1.00 0.00 0.00 0.00 -1.79 -2.42 119.26 117.58 2qrt h ALA 140 Ca 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 2qrt h ALA 140 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2qrt h ALA 140 CO -0.25 0.00 -0.24 -0.07 0.00 0.00 0.00 179.25 178.69 2qrt h LEU 141 N 0.00 0.00 -0.15 0.00 3.38 -0.98 -0.24 115.31 117.32 2qrt h LEU 141 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2qrt h LEU 141 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2qrt h LEU 141 CO 0.00 0.24 -0.18 0.40 0.09 0.00 0.00 178.44 178.99 2qrt h ILE 142 N 0.00 1.35 -0.35 1.22 1.08 -1.55 -2.20 117.51 117.06 2qrt h ILE 142 Ca -0.00 -1.38 0.01 0.00 -0.39 0.00 0.00 64.86 63.10 2qrt h ILE 142 Cb 0.52 1.91 -0.02 0.00 -3.07 0.00 0.00 36.82 36.16 2qrt h ILE 142 CO 0.03 0.41 0.21 0.74 -0.69 0.00 0.00 178.15 178.85 2qrt h THR 143 N 0.00 1.05 -0.32 -0.27 2.02 -1.55 -1.76 112.91 112.09 2qrt h THR 143 Ca 0.02 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.11 2qrt h THR 143 Cb 0.73 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 2qrt h THR 143 CO 0.04 0.08 -0.06 0.50 0.37 0.00 0.00 175.52 176.45 2qrt h LYS 144 N 0.44 0.02 -0.23 6.66 3.64 -0.98 0.15 116.57 126.26 2qrt h LYS 144 Ca 0.14 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2qrt h LYS 144 Cb -0.02 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2qrt h LYS 144 CO -0.05 0.01 0.15 1.25 -2.27 0.00 0.00 179.45 178.54 2qrt h HIS 145 N 0.02 0.29 -0.92 1.91 2.76 -1.21 -0.63 115.15 117.37 2qrt h HIS 145 Ca 0.15 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2qrt h HIS 145 Cb 0.23 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.05 2qrt h HIS 145 CO -0.28 0.18 0.56 0.87 -1.30 0.00 0.00 177.93 177.95 2qrt h LYS 146 N 0.31 1.26 0.00 5.26 1.57 -0.62 -1.84 116.57 122.50 2qrt h LYS 146 Ca 0.09 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 2qrt h LYS 146 Cb -0.03 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 2qrt h LYS 146 CO -0.02 0.88 -0.57 -1.49 -0.57 0.00 0.00 179.45 177.68 2qrt h TRP 147 N 1.28 0.00 -0.23 -1.35 4.06 -0.38 -1.90 115.95 117.42 2qrt h TRP 147 Ca 0.33 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.22 2qrt h TRP 147 Cb -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.10 2qrt h TRP 147 CO 0.00 0.57 -0.11 0.93 -3.56 0.00 0.00 178.44 176.27 2qrt h GLU 148 N 0.00 0.48 -0.27 0.49 5.08 -0.65 -0.41 114.58 119.30 2qrt h GLU 148 Ca -0.01 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2qrt h GLU 148 Cb 1.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2qrt h GLU 148 CO 0.07 0.75 -0.06 1.96 -1.00 0.00 0.00 179.01 180.73 2qrt h GLN 149 N 0.20 0.42 0.00 2.33 1.08 -1.25 -2.75 115.11 115.15 2qrt h GLN 149 Ca 0.05 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2qrt h GLN 149 Cb 0.61 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2qrt h GLN 149 CO 0.03 0.50 -0.30 0.00 -0.95 0.00 0.00 178.83 178.12 2qrt n ALA 150 N -2.48 3.01 -2.19 3.87 0.00 -0.72 -4.95 120.51 117.05 2qrt n ALA 150 Ca 0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 2qrt n ALA 150 Cb 0.26 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.49 0.21 0.33 0.00 0.00 -0.47 -4.95 105.19 101.79 2qrt n GLY 151 Ca 0.06 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.09 0.90 -0.83 1.61 4.57 -1.40 -2.51 114.58 116.83 2qrt h GLU 152 Ca -0.13 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 2qrt h GLU 152 Cb 1.09 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.47 2qrt h GLU 152 CO 0.14 0.69 0.47 0.00 -1.18 0.00 0.00 179.01 179.14 2qrt h ALA 153 N 1.45 1.06 -0.68 2.92 0.00 -1.88 0.05 119.26 122.17 2qrt h ALA 153 Ca 0.22 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2qrt h ALA 153 Cb 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2qrt h ALA 153 CO -0.03 0.54 0.18 0.93 0.00 0.00 0.00 179.25 180.87 2qrt h GLU 154 N 1.14 1.08 -0.64 0.00 3.07 -1.73 0.20 114.58 117.71 2qrt h GLU 154 Ca 0.29 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2qrt h GLU 154 Cb -0.00 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.73 2qrt h GLU 154 CO -0.05 0.95 0.31 -0.09 -1.40 0.00 0.00 179.01 178.73 2qrt h ARG 155 N 1.01 0.91 -0.50 2.33 2.43 -0.99 -2.03 114.38 117.54 2qrt h ARG 155 Ca 0.22 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 2qrt h ARG 155 Cb 0.35 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2qrt h ARG 155 CO -0.00 0.73 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.98 2qrt h LEU 156 N 0.87 0.98 -0.76 3.80 3.38 -0.55 -2.33 115.31 120.70 2qrt h LEU 156 Ca 0.22 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2qrt h LEU 156 Cb 0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2qrt h LEU 156 CO -0.03 1.12 0.49 -0.09 0.09 0.00 0.00 178.44 180.02 2qrt h ARG 157 N 0.83 0.94 -0.35 1.13 2.43 -0.36 0.32 114.38 119.31 2qrt h ARG 157 Ca 0.12 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2qrt h ARG 157 Cb 0.70 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2qrt h ARG 157 CO 0.05 0.62 0.19 0.00 -1.51 0.00 0.00 179.97 179.32 2qrt h ALA 158 N 1.31 0.46 -0.33 2.80 0.00 -1.26 0.12 119.26 122.36 2qrt h ALA 158 Ca 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2qrt h ALA 158 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qrt h ALA 158 CO -0.10 -0.01 0.11 -0.92 0.00 0.00 0.00 179.25 178.33 2qrt h TYR 159 N 0.44 0.53 -0.44 0.00 3.20 -0.89 -1.19 116.97 118.63 2qrt h TYR 159 Ca 0.12 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 2qrt h TYR 159 Cb 0.07 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2qrt h TYR 159 CO -0.02 0.52 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.74 2qrt h LEU 160 N 0.38 0.91 0.00 2.82 3.38 -0.14 0.87 115.31 123.53 2qrt h LEU 160 Ca 0.11 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2qrt h LEU 160 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qrt h LEU 160 CO -0.00 1.09 -0.46 -0.33 0.09 0.00 0.00 178.44 178.83 2qrt h GLU 161 N 0.77 0.00 0.00 1.13 5.08 -0.78 -3.34 114.58 117.44 2qrt h GLU 161 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2qrt h GLU 161 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2qrt h GLU 161 CO 0.06 0.12 0.00 0.41 -1.00 0.00 0.00 179.01 178.60 2qrt n GLY 162 N 1.17 0.18 0.32 -3.84 0.00 -0.45 -4.63 105.19 97.94 2qrt n GLY 162 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 0.10 2.61 2.02 -1.59 -0.14 112.91 116.07 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 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2qrt h THR 163 CO 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.84 2qrt h VAL 165 N -0.15 1.22 -0.49 0.00 2.07 -1.52 -0.70 116.25 116.68 2qrt h VAL 165 Ca -0.01 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2qrt h VAL 165 Cb 0.12 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2qrt h VAL 165 CO 0.02 0.24 0.31 -0.33 0.02 0.00 0.00 177.57 177.83 2qrt h GLU 166 N 1.05 0.66 -0.27 1.57 5.08 -0.83 -1.83 114.58 120.01 2qrt h GLU 166 Ca 0.27 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 2qrt h GLU 166 Cb -0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2qrt h GLU 166 CO -0.05 0.46 -0.41 -1.49 -1.00 0.00 0.00 179.01 176.52 2qrt h TRP 167 N 0.66 0.80 -0.68 4.33 4.06 -0.96 -2.55 115.95 121.61 2qrt h TRP 167 Ca 0.18 -0.24 0.02 0.00 2.06 0.00 0.00 58.89 60.91 2qrt h TRP 167 Cb -0.04 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 27.91 2qrt h TRP 167 CO -0.03 0.97 0.44 1.25 -3.56 0.00 0.00 178.44 177.50 2qrt h LEU 168 N 0.54 0.74 -0.44 -4.49 5.85 -0.87 0.96 115.31 117.59 2qrt h LEU 168 Ca 0.04 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2qrt h LEU 168 Cb 0.95 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2qrt h LEU 168 CO 0.09 0.52 0.26 -0.09 -0.34 0.00 0.00 178.44 178.88 2qrt h ARG 169 N 0.87 0.51 -0.14 1.25 2.43 -1.21 0.05 114.38 118.15 2qrt h ARG 169 Ca 0.26 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2qrt h ARG 169 Cb -0.04 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2qrt h ARG 169 CO -0.08 0.34 0.09 -0.09 -1.51 0.00 0.00 179.97 178.72 2qrt h ARG 170 N 0.53 0.19 -0.75 0.20 2.43 -0.96 -0.88 114.38 115.14 2qrt h ARG 170 Ca 0.18 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2qrt h ARG 170 Cb 0.01 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2qrt h ARG 170 CO -0.08 0.15 0.33 1.88 -1.51 0.00 0.00 179.97 180.75 2qrt h TYR 171 N 0.17 1.09 -0.68 2.20 0.05 -0.53 -1.80 116.97 117.47 2qrt h TYR 171 Ca 0.05 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 2qrt h TYR 171 Cb 0.01 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 2qrt h TYR 171 CO -0.06 0.81 0.12 -0.07 -1.05 0.00 0.00 178.16 177.91 2qrt h LEU 172 N 1.07 1.06 0.09 3.88 3.38 -0.73 -1.03 115.31 123.02 2qrt h LEU 172 Ca 0.25 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qrt h LEU 172 Cb 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2qrt h LEU 172 CO -0.03 1.04 -0.04 0.50 0.09 0.00 0.00 178.44 180.00 2qrt h LYS 173 N 1.04 -0.11 0.00 1.13 3.64 -0.65 0.14 116.57 121.75 2qrt h LYS 173 Ca 0.21 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2qrt h LYS 173 Cb 0.42 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2qrt h LYS 173 CO 0.01 -0.03 -0.29 -0.91 -2.27 0.00 0.00 179.45 175.96 2qrt h ASN 174 N -0.16 0.00 -0.36 4.20 -0.26 -1.19 -3.20 115.58 114.60 2qrt h ASN 174 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2qrt h ASN 174 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 2qrt h ASN 174 CO 0.02 0.29 0.00 0.61 -1.06 0.00 0.00 177.43 177.29 2qrt n GLY 175 N -0.62 3.25 0.34 2.83 0.00 -0.41 -4.67 105.19 105.91 2qrt n GLY 175 Ca -0.02 -0.70 0.17 0.00 0.00 0.00 0.00 46.02 45.47 2qrt n GLY 175 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2qrt h ASN 176 N 2.27 0.00 -0.35 1.61 -1.07 -0.97 0.10 115.58 117.17 2qrt h ASN 176 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 2qrt h ASN 176 Cb 1.12 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.35 2qrt h ASN 176 CO 0.12 0.00 0.21 0.00 0.07 0.00 0.00 177.43 177.83 2qrt h ALA 177 N 1.77 0.44 0.05 4.14 0.00 -1.86 -3.33 119.26 120.46 2qrt h ALA 177 Ca 0.12 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.62 2qrt h ALA 177 Cb 0.60 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2qrt h ALA 177 CO -0.00 -0.07 -2.25 0.25 0.00 0.00 0.00 179.25 177.18 2qrt n THR 178 N -4.82 1.60 -1.02 0.00 -2.24 -0.93 -4.77 114.28 102.09 2qrt n THR 178 Ca -0.01 -0.64 -0.29 0.00 -2.27 0.00 0.00 64.05 60.84 2qrt n THR 178 Cb 0.05 -1.43 0.19 0.00 -2.10 0.00 0.00 70.33 67.04 2qrt n THR 178 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qrt s LEU 179 N -6.59 1.52 0.00 3.22 1.43 -0.02 -2.60 118.68 115.64 2qrt s LEU 179 Ca -0.26 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 2qrt s LEU 179 Cb 0.08 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.83 2qrt s LEU 179 CO 0.70 -3.33 0.00 0.18 0.23 0.00 0.00 176.35 174.13 2qrt n LEU 180 N -4.32 0.17 -4.86 1.79 4.77 -1.26 -4.77 117.00 108.52 2qrt n LEU 180 Ca 0.05 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 2qrt n LEU 180 Cb 0.56 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2qrt n LEU 180 CO 0.57 -0.09 0.42 -0.60 -1.33 0.00 0.00 177.39 176.37 2qrt s ARG 181 N -0.17 3.93 0.03 3.23 6.06 -1.07 -5.09 118.95 125.88 2qrt s ARG 181 Ca 0.00 0.61 -0.01 0.00 -2.50 0.00 0.00 55.73 53.82 2qrt s ARG 181 Cb 0.00 -2.42 -0.03 0.00 0.06 0.00 0.00 34.95 32.56 2qrt s ARG 181 CO 0.00 0.10 -0.01 0.95 -2.50 0.00 0.00 175.30 173.84 2qrt s THR 182 N -2.09 0.15 -0.12 4.11 -4.23 -1.26 -4.70 115.64 107.50 2qrt s THR 182 Ca 0.53 -1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 2qrt s THR 182 Cb -0.10 -0.83 0.03 0.00 1.34 0.00 0.00 72.50 72.93 2qrt s THR 182 CO 0.21 -0.70 -0.05 -1.81 -0.54 0.00 0.00 174.62 171.73 2qrt s ASP 183 N -2.11 2.20 0.53 3.99 1.01 0.28 -4.96 116.67 117.62 2qrt s ASP 183 Ca -0.06 -0.34 -0.19 0.00 0.71 0.00 0.00 52.55 52.67 2qrt s ASP 183 Cb -0.02 -0.76 -0.06 0.00 1.01 0.00 0.00 42.92 43.09 2qrt s ASP 183 CO -0.05 -0.15 1.09 -0.44 0.21 0.00 0.00 175.17 175.82 2qrt s SER 184 N 1.76 5.94 0.45 0.27 0.01 -1.26 -1.15 113.70 119.71 2qrt s SER 184 Ca 0.04 2.03 -0.22 0.00 1.31 0.00 0.00 55.95 59.11 2qrt s SER 184 Cb -0.13 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.45 2qrt s SER 184 CO -0.07 -1.06 1.07 -2.16 0.41 0.00 0.00 173.24 171.42 2qrt s PRO 185 N -3.38 3.90 -0.23 12.44 0.04 -1.26 -4.41 135.00 142.10 2qrt s PRO 185 Ca 0.69 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 2qrt s PRO 185 Cb -0.20 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 2qrt s PRO 185 CO 0.26 -0.37 0.09 0.15 0.04 0.00 0.00 177.00 177.17 2qrt s LYS 186 N -2.85 3.82 0.18 4.56 1.02 -0.14 -4.88 119.74 121.44 2qrt s LYS 186 Ca 0.63 -0.40 0.11 0.00 0.02 0.00 0.00 55.97 56.33 2qrt s LYS 186 Cb -0.21 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 2qrt s LYS 186 CO 0.26 -0.02 -0.23 0.00 -0.92 0.00 0.00 175.35 174.43 2qrt s ALA 187 N 1.19 2.42 0.09 5.17 0.00 -1.26 -0.74 121.76 128.63 2qrt s ALA 187 Ca 0.05 -1.59 -0.25 0.00 0.00 0.00 0.00 51.96 50.17 2qrt s ALA 187 Cb -0.14 -0.31 0.08 0.00 0.00 0.00 0.00 23.12 22.75 2qrt s ALA 187 CO 0.04 0.41 0.70 -3.38 0.00 0.00 0.00 175.76 173.53 2qrt s HIS 188 N -1.63 -0.49 -0.10 0.00 -3.43 -0.94 -5.00 115.29 103.71 2qrt s HIS 188 Ca 0.19 0.35 0.01 0.00 -0.80 0.00 0.00 55.06 54.80 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 0.09 -0.74 -0.11 0.08 -2.00 0.00 0.00 174.74 172.06 2qrt s VAL 189 N -3.36 3.29 0.29 -5.38 1.01 -1.26 -0.63 120.40 114.36 2qrt s VAL 189 Ca 0.01 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.48 2qrt s VAL 189 Cb -0.01 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2qrt s VAL 189 CO -0.10 0.56 0.06 0.42 0.00 0.00 0.00 175.10 176.03 2qrt s THR 190 N -0.21 3.41 -0.09 3.92 -4.23 0.00 -4.70 115.64 113.75 2qrt s THR 190 Ca 0.01 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2qrt s THR 190 Cb -0.13 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.78 2qrt s THR 190 CO 0.03 -0.31 -0.17 -2.28 -0.54 0.00 0.00 174.62 171.35 2qrt s HIS 191 N -2.34 1.94 0.01 3.99 2.46 -1.26 -1.36 115.29 118.73 2qrt s HIS 191 Ca 0.33 -0.81 0.03 0.00 0.47 0.00 0.00 55.06 55.08 2qrt s HIS 191 Cb -0.05 -1.37 -0.01 0.00 -0.13 0.00 0.00 32.58 31.02 2qrt s HIS 191 CO 0.21 -0.38 -0.09 -1.01 -2.47 0.00 0.00 174.74 171.00 2qrt s HIS 192 N 0.67 0.79 0.59 3.88 3.76 -0.18 -5.00 115.29 119.81 2qrt s HIS 192 Ca -0.13 -0.21 -0.16 0.00 -0.15 0.00 0.00 55.06 54.41 2qrt s HIS 192 Cb -0.16 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 2qrt s HIS 192 CO 0.04 -0.01 1.06 -1.12 -0.85 0.00 0.00 174.74 173.85 2qrt s SER 193 N -0.48 5.74 0.30 1.40 0.01 -1.26 -0.29 113.70 119.12 2qrt s SER 193 Ca 0.01 1.84 0.03 0.00 1.31 0.00 0.00 55.95 59.14 2qrt s SER 193 Cb -0.05 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2qrt s SER 193 CO -0.00 -1.19 0.10 -0.13 0.41 0.00 0.00 173.24 172.43 2qrt s ARG 194 N -4.03 1.57 0.45 12.44 1.81 -0.94 -4.66 118.95 125.58 2qrt s ARG 194 Ca 0.64 -1.88 -0.24 0.00 -1.72 0.00 0.00 55.73 52.53 2qrt s ARG 194 Cb -0.17 -0.42 -0.08 0.00 -0.45 0.00 0.00 34.95 33.84 2qrt s ARG 194 CO 0.37 -0.32 1.28 -2.14 -0.68 0.00 0.00 175.30 173.80 2qrt s PRO 195 N -3.92 3.75 4.13 3.54 0.02 -1.26 -4.54 135.00 136.72 2qrt s PRO 195 Ca 0.35 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2qrt s PRO 195 Cb 0.07 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 32.02 2qrt s PRO 195 CO 0.15 -0.64 0.00 0.39 -0.33 0.00 0.00 177.00 176.57 2qrt n GLU 196 N -0.25 0.00 0.00 5.54 4.71 -1.26 -3.04 120.64 126.34 2qrt n GLU 196 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 2qrt n GLU 196 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.88 2qrt n GLU 196 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2qrt n ASP 197 N -0.39 0.49 -4.53 1.62 5.68 -1.26 -4.88 116.55 113.28 2qrt n ASP 197 Ca 0.00 -0.98 -0.24 0.00 -0.50 0.00 0.00 54.79 53.07 2qrt n ASP 197 Cb 0.00 -0.24 -0.09 0.00 -1.14 0.00 0.00 41.12 39.64 2qrt n ASP 197 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2qrt s LYS 198 N -1.00 1.90 0.06 0.11 -0.14 -1.17 0.15 119.74 119.64 2qrt s LYS 198 Ca 0.00 -1.60 -0.07 0.00 -1.36 0.00 0.00 55.97 52.93 2qrt s LYS 198 Cb 0.00 -1.93 -0.01 0.00 -1.68 0.00 0.00 37.83 34.21 2qrt s LYS 198 CO 0.00 0.35 0.15 0.14 -0.76 0.00 0.00 175.35 175.23 2qrt s VAL 199 N -2.34 0.14 -0.18 3.17 -7.23 0.18 -2.21 120.40 111.94 2qrt s VAL 199 Ca 0.29 -1.12 -0.04 0.00 -1.81 0.00 0.00 61.98 59.30 2qrt s VAL 199 Cb -0.06 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 2qrt s VAL 199 CO 0.16 -0.62 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.43 2qrt s THR 200 N -3.10 3.94 -0.19 5.32 2.01 0.60 -0.35 115.64 123.87 2qrt s THR 200 Ca -0.01 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 2qrt s THR 200 Cb 0.02 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 2qrt s THR 200 CO -0.07 0.47 0.04 -0.76 -0.69 0.00 0.00 174.62 173.60 2qrt s LEU 201 N 0.63 3.57 -0.18 4.42 1.43 -0.59 -1.01 118.68 126.95 2qrt s LEU 201 Ca -0.01 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2qrt s LEU 201 Cb -0.14 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.19 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 0.68 3.01 -0.29 1.70 3.52 -0.46 -1.36 118.95 125.75 2qrt s ARG 202 Ca 0.02 -0.82 -0.17 0.00 -0.13 0.00 0.00 55.73 54.63 2qrt s ARG 202 Cb -0.14 -2.60 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 2qrt s ARG 202 CO 0.02 -0.21 0.47 0.00 -0.81 0.00 0.00 175.30 174.76 2qrt s TRP 204 N 2.25 3.30 -0.13 0.00 0.52 0.20 -1.47 118.94 123.61 2qrt s TRP 204 Ca 0.18 0.29 0.00 0.00 0.02 0.00 0.00 56.10 56.59 2qrt s TRP 204 Cb -0.16 -1.82 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 2qrt s TRP 204 CO 0.11 0.56 -0.12 0.00 0.02 0.00 0.00 176.95 177.51 2qrt s ALA 205 N -0.98 1.67 0.17 0.98 0.00 -0.07 -2.21 121.76 121.32 2qrt s ALA 205 Ca 0.15 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.42 2qrt s ALA 205 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 2qrt s ALA 205 CO 0.05 -0.35 -0.14 -0.51 0.00 0.00 0.00 175.76 174.81 2qrt s LEU 206 N 1.48 2.50 -1.83 0.00 1.43 0.08 -1.57 118.68 120.76 2qrt s LEU 206 Ca 0.03 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2qrt s LEU 206 Cb -0.13 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2qrt s LEU 206 CO -0.09 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 176.94 2qrt n GLY 207 N -0.04 -0.23 3.94 -3.19 0.00 -1.01 -0.97 105.19 103.70 2qrt n GLY 207 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.01 3.39 -0.28 1.61 -0.71 -1.14 -4.63 117.98 113.22 2qrt s PHE 208 Ca 0.00 -0.02 -0.21 0.00 -1.04 0.00 0.00 56.93 55.66 2qrt s PHE 208 Cb 0.00 -1.55 0.08 0.00 -1.21 0.00 0.00 43.02 40.34 2qrt s PHE 208 CO 0.00 0.46 0.73 -0.47 -1.34 0.00 0.00 175.22 174.60 2qrt s TYR 209 N -1.97 -0.89 1.12 3.49 6.14 -0.30 -0.54 117.35 124.39 2qrt s TYR 209 Ca 0.34 1.96 -0.19 0.00 0.64 0.00 0.00 57.07 59.82 2qrt s TYR 209 Cb -0.09 0.44 0.27 0.00 0.42 0.00 0.00 41.96 43.00 2qrt s TYR 209 CO 0.28 -0.44 1.12 -0.35 0.64 0.00 0.00 175.55 176.81 2qrt n PRO 210 N 3.44 -2.55 0.23 4.97 -0.04 -1.26 -0.55 135.00 139.24 2qrt n PRO 210 Ca -0.17 -1.77 0.06 0.00 -0.04 0.00 0.00 63.50 61.58 2qrt n PRO 210 Cb 0.57 -1.51 0.54 0.00 -0.04 0.00 0.00 33.50 33.06 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 -2.45 1.78 -2.59 0.55 0.00 -1.96 -3.44 119.26 111.15 2qrt h ALA 211 Ca -0.40 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 53.86 2qrt h ALA 211 Cb 1.19 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.01 2qrt h ALA 211 CO 0.27 0.17 1.07 -0.51 0.00 0.00 0.00 179.25 180.24 2qrt s ASP 212 N -7.02 6.39 0.06 0.00 1.01 -1.26 -4.97 116.67 110.88 2qrt s ASP 212 Ca -0.04 2.83 -0.26 0.00 0.71 0.00 0.00 52.55 55.78 2qrt s ASP 212 Cb 0.16 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.59 2qrt s ASP 212 CO 0.69 -0.99 0.73 -0.51 0.21 0.00 0.00 175.17 175.30 2qrt s ILE 213 N 1.93 0.00 -0.03 0.77 2.07 -1.26 -4.65 121.20 120.02 2qrt s ILE 213 Ca 0.78 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.03 2qrt s ILE 213 Cb -0.48 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.13 2qrt s ILE 213 CO 0.34 0.00 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.46 2qrt s THR 214 N -3.09 0.33 -0.07 4.00 2.01 -0.45 -5.00 115.64 113.37 2qrt s THR 214 Ca 0.01 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.04 2qrt s THR 214 Cb -0.01 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 2qrt s THR 214 CO -0.08 0.17 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.01 2qrt s LEU 215 N 0.84 2.10 0.06 4.42 1.43 -1.26 -0.67 118.68 125.61 2qrt s LEU 215 Ca -0.10 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2qrt s LEU 215 Cb -0.13 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2qrt s LEU 215 CO -0.01 0.22 -0.04 0.42 0.23 0.00 0.00 176.35 177.17 2qrt s THR 216 N -0.02 0.38 -0.01 5.49 -4.23 -0.49 -4.97 115.64 111.79 2qrt s THR 216 Ca -0.08 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.73 2qrt s THR 216 Cb -0.15 -1.48 -0.02 0.00 1.34 0.00 0.00 72.50 72.19 2qrt s THR 216 CO 0.05 -0.91 -0.25 0.26 -0.54 0.00 0.00 174.62 173.23 2qrt s TRP 217 N -3.62 2.36 0.06 3.99 0.52 -1.26 -0.41 118.94 120.58 2qrt s TRP 217 Ca 0.07 -0.41 0.06 0.00 0.02 0.00 0.00 56.10 55.84 2qrt s TRP 217 Cb 0.06 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 2qrt s TRP 217 CO -0.07 0.02 -0.17 -0.65 0.02 0.00 0.00 176.95 176.09 2qrt s GLN 218 N -0.76 1.04 -0.34 4.98 -0.21 -0.23 -0.29 119.66 123.85 2qrt s GLN 218 Ca 0.11 -0.91 0.04 0.00 0.02 0.00 0.00 55.36 54.61 2qrt s GLN 218 Cb -0.10 -1.12 0.10 0.00 1.00 0.00 0.00 33.01 32.88 2qrt s GLN 218 CO -0.00 0.27 0.05 -1.17 -2.12 0.00 0.00 175.29 172.32 2qrt s LEU 219 N -1.41 4.74 -0.75 2.90 2.96 -0.19 -2.12 118.68 124.82 2qrt s LEU 219 Ca 0.03 -2.14 -0.03 0.00 -0.22 0.00 0.00 54.13 51.77 2qrt s LEU 219 Cb -0.09 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.98 2qrt s LEU 219 CO 0.02 -0.38 0.64 -3.20 -1.32 0.00 0.00 176.35 172.12 2qrt n ASN 220 N 4.26 -6.08 0.00 3.68 2.85 -1.25 -2.62 115.26 116.10 2qrt n ASN 220 Ca 0.04 -0.53 0.00 0.00 -0.11 0.00 0.00 54.58 53.98 2qrt n ASN 220 Cb 0.42 -3.13 0.00 0.00 1.24 0.00 0.00 39.78 38.31 2qrt n ASN 220 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qrt n GLY 221 N -1.54 2.24 3.68 8.20 0.00 -1.26 -4.98 105.19 111.53 2qrt n GLY 221 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 4.13 0.17 1.61 2.12 -1.08 -5.05 118.70 120.61 2qrt s GLU 222 Ca 0.00 -0.13 -0.30 0.00 0.36 0.00 0.00 54.97 54.90 2qrt s GLU 222 Cb 0.00 -3.51 -0.08 0.00 0.26 0.00 0.00 34.13 30.81 2qrt s GLU 222 CO 0.00 0.10 1.16 -1.21 -0.54 0.00 0.00 175.26 174.77 2qrt s GLU 223 N 0.92 4.52 -0.54 4.30 2.02 -1.26 -1.02 118.70 127.65 2qrt s GLU 223 Ca 0.11 1.81 0.01 0.00 0.02 0.00 0.00 54.97 56.92 2qrt s GLU 223 Cb -0.13 -3.26 0.47 0.00 0.10 0.00 0.00 34.13 31.30 2qrt s GLU 223 CO 0.04 -0.04 1.78 1.28 0.02 0.00 0.00 175.26 178.34 2qrt n LEU 224 N 2.58 6.75 -0.36 1.80 4.77 0.60 -4.80 117.00 128.34 2qrt n LEU 224 Ca 0.04 -4.34 0.37 0.00 -0.03 0.00 0.00 56.01 52.05 2qrt n LEU 224 Cb 0.45 -0.79 0.75 0.00 -2.33 0.00 0.00 43.42 41.51 2qrt n LEU 224 CO 0.55 1.60 1.34 0.40 -1.33 0.00 0.00 177.39 179.95 2qrt h ILE 225 N 1.31 0.37 0.07 -0.08 2.04 -1.93 -2.10 117.51 117.18 2qrt h ILE 225 Ca 0.53 -0.00 -0.29 0.00 1.00 0.00 0.00 64.86 66.10 2qrt h ILE 225 Cb 1.17 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2qrt h ILE 225 CO 1.29 0.00 -1.50 1.56 0.00 0.00 0.00 178.15 179.50 2qrt h GLN 226 N 0.01 0.15 -3.75 2.37 4.20 -1.98 -3.38 115.11 112.73 2qrt h GLN 226 Ca 0.61 -0.25 -0.79 0.00 0.06 0.00 0.00 58.65 58.27 2qrt h GLN 226 Cb 2.41 0.09 -0.26 0.00 0.30 0.00 0.00 27.48 30.02 2qrt h GLN 226 CO -0.02 0.95 0.59 -0.51 -0.67 0.00 0.00 178.83 179.18 2qrt s ASP 227 N -6.73 7.29 -0.06 1.46 1.01 -0.79 -4.93 116.67 113.92 2qrt s ASP 227 Ca -0.07 -3.51 -0.30 0.00 0.71 0.00 0.00 52.55 49.38 2qrt s ASP 227 Cb 0.08 -2.24 0.11 0.00 1.01 0.00 0.00 42.92 41.88 2qrt s ASP 227 CO 0.84 -0.36 0.96 -0.32 0.21 0.00 0.00 175.17 176.50 2qrt s MET 228 N -0.84 0.70 0.02 8.23 1.75 -1.25 -4.73 119.30 123.17 2qrt s MET 228 Ca 0.33 -0.18 0.06 0.00 -1.25 0.00 0.00 55.69 54.64 2qrt s MET 228 Cb -0.09 0.32 -0.02 0.00 2.84 0.00 0.00 34.83 37.89 2qrt s MET 228 CO -0.07 -0.29 -0.17 -2.00 -0.65 0.00 0.00 175.02 171.85 2qrt s GLU 229 N -2.60 1.21 0.17 4.11 2.12 -0.25 -4.96 118.70 118.50 2qrt s GLU 229 Ca 0.04 -0.72 -0.11 0.00 0.36 0.00 0.00 54.97 54.54 2qrt s GLU 229 Cb -0.01 -1.23 0.00 0.00 0.26 0.00 0.00 34.13 33.16 2qrt s GLU 229 CO -0.06 0.32 0.36 -0.48 -0.54 0.00 0.00 175.26 174.86 2qrt s LEU 230 N -0.81 0.70 0.22 2.70 2.34 -1.26 0.51 118.68 123.08 2qrt s LEU 230 Ca 0.05 -0.76 0.10 0.00 0.06 0.00 0.00 54.13 53.58 2qrt s LEU 230 Cb -0.07 1.48 -0.04 0.00 -0.56 0.00 0.00 46.19 46.99 2qrt s LEU 230 CO 0.01 -0.94 -0.09 0.68 -1.06 0.00 0.00 176.35 174.94 2qrt s VAL 231 N -3.94 3.13 0.47 1.48 -7.23 -1.08 -5.02 120.40 108.20 2qrt s VAL 231 Ca 0.15 -1.86 -0.23 0.00 -1.81 0.00 0.00 61.98 58.22 2qrt s VAL 231 Cb 0.02 -2.60 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 2qrt s VAL 231 CO -0.01 -0.23 1.26 -1.61 -0.31 0.00 0.00 175.10 174.20 2qrt s GLU 232 N -3.17 3.64 0.28 4.82 0.41 -1.26 -4.59 118.70 118.83 2qrt s GLU 232 Ca 0.27 2.02 -0.30 0.00 -0.41 0.00 0.00 54.97 56.55 2qrt s GLU 232 Cb -0.07 -2.47 -0.12 0.00 -1.78 0.00 0.00 34.13 29.69 2qrt s GLU 232 CO 0.16 -0.72 1.48 2.41 -0.49 0.00 0.00 175.26 178.10 2qrt n THR 233 N -0.46 1.18 -4.10 3.63 -1.04 -1.26 -4.87 114.28 107.36 2qrt n THR 233 Ca 0.07 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.05 61.65 2qrt n THR 233 Cb 0.46 -1.72 -0.11 0.00 -1.82 0.00 0.00 70.33 67.13 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 -0.75 0.63 0.19 -2.82 1.70 -0.50 -4.96 118.95 112.43 2qrt s ARG 234 Ca 0.64 -0.87 -0.30 0.00 -0.47 0.00 0.00 55.73 54.73 2qrt s ARG 234 Cb -0.56 -0.40 -0.08 0.00 -0.57 0.00 0.00 34.95 33.34 2qrt s ARG 234 CO 0.52 0.07 1.07 -1.25 -1.08 0.00 0.00 175.30 174.63 2qrt s PRO 235 N -1.88 4.63 0.44 3.89 0.04 -1.26 -0.43 135.00 140.44 2qrt s PRO 235 Ca -0.06 1.68 0.24 0.00 0.04 0.00 0.00 61.00 62.90 2qrt s PRO 235 Cb -0.08 -3.28 0.54 0.00 0.04 0.00 0.00 34.50 31.72 2qrt s PRO 235 CO 0.00 0.14 1.67 0.00 0.04 0.00 0.00 177.00 178.86 2qrt h ALA 236 N 4.95 0.96 0.00 8.56 0.00 -1.19 -3.47 119.26 129.08 2qrt h ALA 236 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2qrt h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2qrt h ALA 236 CO 0.71 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.47 2qrt n GLY 237 N 0.85 0.36 0.60 0.00 0.00 -1.26 -4.63 105.19 101.11 2qrt n GLY 237 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 3.21 0.00 1.61 5.68 -1.26 -4.94 116.55 120.85 2qrt n ASP 238 Ca 0.00 -2.74 0.00 0.00 -0.50 0.00 0.00 54.79 51.55 2qrt n ASP 238 Cb 0.00 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 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 -0.49 3.13 4.00 6.12 0.00 -1.26 -5.07 105.19 111.63 2qrt n GLY 239 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.83 2.76 0.34 2.61 -4.23 -1.26 -4.88 115.64 108.15 2qrt s THR 240 Ca 0.00 -0.88 0.09 0.00 -1.18 0.00 0.00 61.69 59.72 2qrt s THR 240 Cb 0.00 -2.89 -0.06 0.00 1.34 0.00 0.00 72.50 70.89 2qrt s THR 240 CO 0.00 0.00 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.65 2qrt s PHE 241 N -2.55 2.31 0.07 3.99 0.40 0.30 -0.63 117.98 121.87 2qrt s PHE 241 Ca 0.57 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 2qrt s PHE 241 Cb -0.09 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 2qrt s PHE 241 CO 0.36 0.50 -0.07 -0.65 0.70 0.00 0.00 175.22 176.06 2qrt s GLN 242 N -3.65 0.67 -0.07 0.44 -0.21 0.43 -2.40 119.66 114.87 2qrt s GLN 242 Ca 0.32 -1.04 -0.30 0.00 0.02 0.00 0.00 55.36 54.37 2qrt s GLN 242 Cb 0.04 -0.24 0.10 0.00 1.00 0.00 0.00 33.01 33.91 2qrt s GLN 242 CO 0.16 0.01 0.83 0.21 -2.12 0.00 0.00 175.29 174.38 2qrt s LYS 243 N -2.70 0.86 0.05 2.91 2.20 -0.61 -1.41 119.74 121.03 2qrt s LYS 243 Ca 0.01 0.06 -0.07 0.00 -0.36 0.00 0.00 55.97 55.60 2qrt s LYS 243 Cb -0.02 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.69 2qrt s LYS 243 CO -0.02 -0.30 0.14 1.67 -0.36 0.00 0.00 175.35 176.48 2qrt s TRP 244 N -1.70 0.16 -0.01 4.03 1.48 -1.26 -0.90 118.94 120.74 2qrt s TRP 244 Ca -0.04 -0.47 0.00 0.00 -1.06 0.00 0.00 56.10 54.54 2qrt s TRP 244 Cb -0.00 -0.10 0.01 0.00 -1.16 0.00 0.00 33.47 32.22 2qrt s TRP 244 CO 0.01 -0.42 0.01 0.00 -4.06 0.00 0.00 176.95 172.49 2qrt s ALA 245 N -2.91 0.03 0.18 2.67 0.00 -0.54 -2.65 121.76 118.54 2qrt s ALA 245 Ca -0.02 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.09 2qrt s ALA 245 Cb 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2qrt s ALA 245 CO -0.06 -0.04 -0.08 -1.54 0.00 0.00 0.00 175.76 174.04 2qrt s SER 246 N 0.38 1.97 -0.01 0.00 1.04 0.18 -0.12 113.70 117.14 2qrt s SER 246 Ca -0.03 -1.07 -0.05 0.00 0.48 0.00 0.00 55.95 55.27 2qrt s SER 246 Cb -0.05 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2qrt s SER 246 CO -0.01 -0.35 0.10 0.54 0.98 0.00 0.00 173.24 174.50 2qrt s VAL 247 N -3.28 0.06 -0.17 5.02 0.11 -0.46 -1.09 120.40 120.58 2qrt s VAL 247 Ca 0.21 -0.52 -0.14 0.00 -2.93 0.00 0.00 61.98 58.60 2qrt s VAL 247 Cb 0.03 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 2qrt s VAL 247 CO 0.04 -0.29 0.30 -0.69 -3.33 0.00 0.00 175.10 171.13 2qrt s VAL 248 N -0.95 5.29 0.22 2.04 1.01 -1.26 -1.54 120.40 125.21 2qrt s VAL 248 Ca -0.10 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2qrt s VAL 248 Cb -0.06 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 2qrt s VAL 248 CO 0.01 0.36 0.02 0.68 0.00 0.00 0.00 175.10 176.17 2qrt s VAL 249 N 0.65 0.78 0.33 2.92 -7.23 0.53 -4.95 120.40 113.44 2qrt s VAL 249 Ca 0.16 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.04 2qrt s VAL 249 Cb -0.13 -2.34 -0.10 0.00 0.56 0.00 0.00 36.38 34.36 2qrt s VAL 249 CO 0.04 -0.29 1.28 -2.84 -0.31 0.00 0.00 175.10 172.98 2qrt s PRO 250 N -3.93 4.36 0.26 4.82 0.02 -1.26 -0.65 135.00 138.62 2qrt s PRO 250 Ca 0.29 2.16 -0.31 0.00 0.02 0.00 0.00 61.00 63.17 2qrt s PRO 250 Cb 0.06 -3.06 -0.11 0.00 0.02 0.00 0.00 34.50 31.41 2qrt s PRO 250 CO 0.08 -0.16 1.60 -1.17 -0.33 0.00 0.00 177.00 177.03 2qrt s LEU 251 N -1.80 4.36 0.00 -5.54 2.96 0.12 -1.39 118.68 117.39 2qrt s LEU 251 Ca 0.49 2.88 0.00 0.00 -0.22 0.00 0.00 54.13 57.28 2qrt s LEU 251 Cb -0.39 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.68 2qrt s LEU 251 CO 0.51 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 2qrt n GLY 252 N 2.69 1.15 0.78 7.98 0.00 -1.26 -4.89 105.19 111.64 2qrt n GLY 252 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 2.88 -0.23 1.61 4.76 -0.48 -4.71 118.16 119.99 2qrt n LYS 253 Ca 0.00 -2.56 0.10 0.00 -2.87 0.00 0.00 58.31 52.98 2qrt n LYS 253 Cb 0.00 -1.64 0.37 0.00 -1.84 0.00 0.00 35.03 31.93 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 1.81 0.68 0.00 1.97 3.07 -1.91 -1.87 114.58 118.33 2qrt h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2qrt h GLU 254 Cb 1.19 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 2qrt h GLU 254 CO 0.14 0.45 0.00 1.04 -1.40 0.00 0.00 179.01 179.24 2qrt n GLN 255 N -4.52 0.44 0.00 2.33 1.13 -1.26 -2.38 117.38 113.12 2qrt n GLN 255 Ca 0.14 0.05 0.13 0.00 -1.94 0.00 0.00 57.00 55.39 2qrt n GLN 255 Cb 0.37 -1.50 0.37 0.00 0.11 0.00 0.00 30.24 29.59 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 -1.14 0.00 -4.54 1.08 4.02 -0.70 -4.90 117.16 110.97 2qrt n TYR 256 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.69 2qrt n TYR 256 Cb 0.11 -0.14 -0.11 0.00 -0.02 0.00 0.00 39.34 39.18 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 -2.56 2.80 -0.02 -0.72 1.51 -1.00 -3.78 117.35 113.57 2qrt s TYR 257 Ca 0.23 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.21 2qrt s TYR 257 Cb 0.19 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 2qrt s TYR 257 CO 0.54 0.33 -0.06 0.95 -1.11 0.00 0.00 175.55 176.20 2qrt s THR 258 N -0.96 0.56 -0.02 -0.71 -4.23 -0.90 -4.60 115.64 104.79 2qrt s THR 258 Ca 0.16 -0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 60.30 2qrt s THR 258 Cb -0.11 -0.51 -0.05 0.00 1.34 0.00 0.00 72.50 73.17 2qrt s THR 258 CO 0.06 0.18 0.35 0.00 -0.54 0.00 0.00 174.62 174.68 2qrt s HIS 260 N -1.11 2.47 -0.18 0.00 3.76 0.45 -1.03 115.29 119.65 2qrt s HIS 260 Ca 0.23 -0.87 -0.00 0.00 -0.15 0.00 0.00 55.06 54.27 2qrt s HIS 260 Cb -0.15 -1.64 0.01 0.00 1.11 0.00 0.00 32.58 31.91 2qrt s HIS 260 CO 0.12 -0.31 -0.16 0.08 -0.85 0.00 0.00 174.74 173.62 2qrt s VAL 261 N 0.07 2.42 -0.24 -0.90 1.01 -0.27 -1.40 120.40 121.10 2qrt s VAL 261 Ca -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2qrt s VAL 261 Cb -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2qrt s VAL 261 CO 0.06 0.51 -0.02 -0.31 0.00 0.00 0.00 175.10 175.34 2qrt s TYR 262 N 1.23 3.02 -0.12 5.22 1.51 0.16 -1.58 117.35 126.79 2qrt s TYR 262 Ca 0.03 -1.07 -0.10 0.00 -1.01 0.00 0.00 57.07 54.92 2qrt s TYR 262 Cb -0.14 -2.12 0.03 0.00 -0.11 0.00 0.00 41.96 39.62 2qrt s TYR 262 CO -0.08 -0.59 0.31 -1.58 -1.11 0.00 0.00 175.55 172.50 2qrt s HIS 263 N 1.45 -0.35 0.60 2.71 2.46 -1.26 -1.34 115.29 119.56 2qrt s HIS 263 Ca 0.04 0.85 0.37 0.00 0.47 0.00 0.00 55.06 56.79 2qrt s HIS 263 Cb -0.15 0.12 1.99 0.00 -0.13 0.00 0.00 32.58 34.41 2qrt s HIS 263 CO -0.02 -0.18 2.12 -0.56 -2.47 0.00 0.00 174.74 173.63 2qrt h GLN 264 N 5.86 0.00 0.00 2.88 3.07 -1.96 -1.52 115.11 123.44 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 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 2qrt h GLN 264 CO 0.32 0.00 -0.18 0.41 0.09 0.00 0.00 178.83 179.47 2qrt n GLY 265 N -1.16 -1.44 3.80 0.06 0.00 -1.26 -4.87 105.19 100.32 2qrt n GLY 265 Ca -0.02 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.19 4.54 0.40 0.99 1.43 -0.57 -4.59 118.68 117.68 2qrt s LEU 266 Ca 0.12 1.38 0.07 0.00 -1.03 0.00 0.00 54.13 54.68 2qrt s LEU 266 Cb 0.18 -3.04 0.85 0.00 0.03 0.00 0.00 46.19 44.21 2qrt s LEU 266 CO 0.59 0.25 2.03 1.55 0.23 0.00 0.00 176.35 181.00 2qrt h PRO 267 N 4.43 0.57 -2.95 1.29 0.13 -1.89 -3.44 132.00 130.14 2qrt h PRO 267 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2qrt h PRO 267 Cb 1.21 -0.13 -0.11 0.00 0.13 0.00 0.00 31.00 32.10 2qrt h PRO 267 CO 0.64 0.38 0.23 -1.83 -0.23 0.00 0.00 178.00 177.19 2qrt s GLU 268 N -5.53 1.32 0.42 0.86 -1.05 -1.26 -5.15 118.70 108.31 2qrt s GLU 268 Ca -0.09 -0.53 -0.25 0.00 -0.15 0.00 0.00 54.97 53.95 2qrt s GLU 268 Cb 0.18 0.58 -0.10 0.00 -0.44 0.00 0.00 34.13 34.35 2qrt s GLU 268 CO 0.74 -0.58 1.22 -2.30 0.95 0.00 0.00 175.26 175.29 2qrt n PRO 269 N -0.38 1.81 -3.17 -4.83 -0.02 -1.26 -4.97 135.00 122.17 2qrt n PRO 269 Ca -0.15 0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 2qrt n PRO 269 Cb 0.64 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.45 4.40 -0.10 2.45 1.43 -0.61 -4.90 118.68 119.89 2qrt s LEU 270 Ca 0.61 1.34 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 2qrt s LEU 270 Cb -0.52 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.34 2qrt s LEU 270 CO 0.58 0.11 -0.16 -0.89 0.23 0.00 0.00 176.35 176.21 2qrt s THR 271 N -1.41 1.56 0.10 5.49 2.01 -1.26 -1.11 115.64 121.03 2qrt s THR 271 Ca 0.39 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.71 2qrt s THR 271 Cb -0.17 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2qrt s THR 271 CO 0.21 0.45 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.76 2qrt s LEU 272 N 0.86 2.50 0.05 4.42 1.02 -0.20 -4.96 118.68 122.36 2qrt s LEU 272 Ca -0.09 -1.01 -0.01 0.00 0.02 0.00 0.00 54.13 53.04 2qrt s LEU 272 Cb -0.15 -0.08 -0.04 0.00 0.02 0.00 0.00 46.19 45.94 2qrt s LEU 272 CO 0.00 -0.47 -0.03 -0.13 0.02 0.00 0.00 176.35 175.74 2qrt s ARG 273 N -3.83 0.61 0.26 1.70 0.52 -1.26 -0.32 118.95 116.63 2qrt s ARG 273 Ca 0.12 -1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 2qrt s ARG 273 Cb 0.05 0.18 -0.11 0.00 0.52 0.00 0.00 34.95 35.59 2qrt s ARG 273 CO -0.04 -0.10 1.51 -0.46 0.02 0.00 0.00 175.30 176.23 2qrt s TRP 274 N -3.78 2.90 -0.22 -0.53 -0.11 -1.26 -4.74 118.94 111.21 2qrt s TRP 274 Ca 0.06 0.90 0.02 0.00 1.22 0.00 0.00 56.10 58.30 2qrt s TRP 274 Cb 0.07 -3.94 0.04 0.00 -1.50 0.00 0.00 33.47 28.15 2qrt s TRP 274 CO -0.09 -3.11 -0.13 -1.21 -4.62 0.00 0.00 176.95 167.78 2qrt s GLU 275 N -0.36 2.36 0.00 5.86 2.02 -1.26 -4.89 118.70 122.43 2qrt s GLU 275 Ca 0.62 -1.01 0.03 0.00 0.02 0.00 0.00 54.97 54.62 2qrt s GLU 275 Cb -0.45 -2.62 0.19 0.00 0.10 0.00 0.00 34.13 31.36 2qrt s GLU 275 CO 0.45 -0.42 0.68 -0.35 0.02 0.00 0.00 175.26 175.63