#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qri s ILE 2 N 0.00 3.04 0.69 2.46 2.07 -1.26 -4.84 121.20 123.36 2qri s ILE 2 Ca 0.00 0.63 -0.13 0.00 -1.41 0.00 0.00 60.65 59.74 2qri s ILE 2 Cb 0.00 -3.24 0.01 0.00 0.13 0.00 0.00 42.46 39.37 2qri s ILE 2 CO 0.00 -0.16 1.09 -0.51 -1.91 0.00 0.00 174.94 173.45 2qri s ILE 3 N -1.78 3.52 -0.23 2.00 2.07 -1.26 -4.98 121.20 120.53 2qri s ILE 3 Ca 0.73 0.60 -0.24 0.00 -1.41 0.00 0.00 60.65 60.34 2qri s ILE 3 Cb -0.25 -3.15 -0.01 0.00 0.13 0.00 0.00 42.46 39.18 2qri s ILE 3 CO 0.30 -0.54 0.79 0.54 -1.91 0.00 0.00 174.94 174.12 2qri s ASN 4 N -3.08 6.79 0.43 4.50 4.22 -1.26 -5.02 114.94 121.53 2qri s ASN 4 Ca 0.63 0.98 -0.22 0.00 -2.14 0.00 0.00 52.86 52.11 2qri s ASN 4 Cb -0.17 -2.42 -0.09 0.00 1.28 0.00 0.00 41.25 39.84 2qri s ASN 4 CO 0.47 -0.47 1.01 -0.36 -2.04 0.00 0.00 177.10 175.72 2qri s PHE 5 N 2.67 3.23 -0.14 1.54 0.08 -1.26 -5.06 117.98 119.05 2qri s PHE 5 Ca 0.33 1.63 -0.06 0.00 0.12 0.00 0.00 56.93 58.95 2qri s PHE 5 Cb -0.15 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 2qri s PHE 5 CO 0.08 -0.48 0.08 -2.00 -0.10 0.00 0.00 175.22 172.79 2qri s GLU 6 N -2.85 3.55 0.48 0.44 2.56 -1.26 -4.96 118.70 116.66 2qri s GLU 6 Ca 0.61 -0.28 -0.23 0.00 0.00 0.00 0.00 54.97 55.06 2qri s GLU 6 Cb -0.17 -3.11 -0.08 0.00 2.00 0.00 0.00 34.13 32.77 2qri s GLU 6 CO 0.21 0.55 1.19 1.63 -0.56 0.00 0.00 175.26 178.28 2qri n LYS 7 N 2.66 1.60 0.08 4.30 5.02 -1.26 -4.92 118.16 125.64 2qri n LYS 7 Ca -0.18 0.58 -0.11 0.00 -2.02 0.00 0.00 58.31 56.58 2qri n LYS 7 Cb 0.53 -2.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.16 2qri n LYS 7 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qri h LEU 8 N 1.58 0.30-10.45 -0.35 3.38 -1.96 -3.47 115.31 104.35 2qri h LEU 8 Ca -0.48 -0.27 -0.44 0.00 0.09 0.00 0.00 57.88 56.78 2qri h LEU 8 Cb 1.32 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 42.01 2qri h LEU 8 CO 0.57 1.12 -0.12 -0.83 0.09 0.00 0.00 178.44 179.28 2qri s GLY 9 N -4.56 1.79 0.00 0.83 0.00 -1.26 -4.28 107.32 99.84 2qri s GLY 9 Ca -0.03 -1.36 0.29 0.00 0.00 0.00 0.00 44.72 43.62 2qri s GLY 9 CO 0.85 -1.13 1.93 0.61 0.00 0.00 0.00 173.10 175.35 2qri n GLY 10 N -2.14 -1.47 0.00 0.20 0.00 -1.26 -4.97 105.19 95.56 2qri n GLY 10 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2qri n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 11 N 1.47 2.10 3.77 -0.02 0.00 -1.26 -5.04 105.19 106.21 2qri n GLY 11 Ca 0.08 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 2qri n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qri s ALA 12 N 0.00 3.43 0.00 4.61 0.00 -1.26 -4.84 121.76 123.70 2qri s ALA 12 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2qri s ALA 12 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2qri s ALA 12 CO 0.00 -0.93 0.00 0.43 0.00 0.00 0.00 175.76 175.26 2qri n SER 13 N 0.37 0.00 0.00 0.00 7.64 -1.26 -4.98 113.62 115.39 2qri n SER 13 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2qri n SER 13 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2qri n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qri n GLY 14 N 5.00 1.05 3.27 0.23 0.00 -1.26 -4.94 105.19 108.53 2qri n GLY 14 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 2qri n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 15 N 0.00 -0.63 0.00 -0.02 0.00 -1.26 -4.47 105.19 98.81 2qri n GLY 15 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2qri n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 16 N -1.17 0.00 3.55 -0.02 0.00 -1.26 -4.74 105.19 101.54 2qri n GLY 16 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2qri n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qri s GLY 17 N 0.00 0.48 0.06 -0.02 0.00 -1.26 -5.08 107.32 101.49 2qri s GLY 17 Ca 0.00 3.71 0.01 0.00 0.00 0.00 0.00 44.72 48.44 2qri s GLY 17 CO 0.00 2.89 -0.05 -0.56 0.00 0.00 0.00 173.10 175.38 2qri s SER 18 N 1.32 0.73 -2.09 1.64 0.01 -1.25 -3.93 113.70 110.14 2qri s SER 18 Ca -0.06 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2qri s SER 18 Cb -0.02 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2qri s SER 18 CO -0.12 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2qri n GLY 19 N 0.63 1.34 2.47 3.44 0.00 -1.22 -4.84 105.19 107.01 2qri n GLY 19 Ca -0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2qri n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 20 N -0.58 4.82 0.00 -0.02 0.00 0.11 -4.94 105.19 104.59 2qri n GLY 20 Ca -0.22 -2.77 0.00 0.00 0.00 0.00 0.00 46.02 43.03 2qri n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 21 N 0.91 2.30 0.00 -0.02 0.00 -1.26 -4.38 105.19 102.74 2qri n GLY 21 Ca 0.29 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2qri n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 22 N -1.21 4.30 3.89 -0.02 0.00 -1.26 -4.89 105.19 106.00 2qri n GLY 22 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 2qri n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qri s SER 23 N 0.00 5.07 0.50 1.61 1.04 -1.26 -5.09 113.70 115.58 2qri s SER 23 Ca 0.00 -0.74 -0.23 0.00 0.48 0.00 0.00 55.95 55.45 2qri s SER 23 Cb 0.00 -0.53 -0.07 0.00 0.10 0.00 0.00 66.02 65.53 2qri s SER 23 CO 0.00 -0.69 1.37 -0.38 0.98 0.00 0.00 173.24 174.53 2qri n ILE 1 N -1.59 3.33 -4.09 -1.02 5.41 -1.26 -5.03 119.36 115.11 2qri n ILE 1 Ca 0.04 -0.50 -0.25 0.00 1.00 0.00 0.00 62.75 63.04 2qri n ILE 1 Cb 0.62 -1.72 -0.05 0.00 -0.71 0.00 0.00 39.64 37.78 2qri n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2qri s GLN 2 N -2.66 2.91 -0.11 0.38 -0.21 -1.26 -4.93 119.66 113.77 2qri s GLN 2 Ca 0.67 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 55.12 2qri s GLN 2 Cb -0.44 -2.62 -0.02 0.00 1.00 0.00 0.00 33.01 30.94 2qri s GLN 2 CO 0.53 0.46 -0.12 0.15 -2.12 0.00 0.00 175.29 174.19 2qri s LYS 3 N -3.33 3.20 0.12 2.91 1.02 0.19 -4.94 119.74 118.91 2qri s LYS 3 Ca 0.31 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 2qri s LYS 3 Cb -0.09 -2.61 -0.07 0.00 -0.52 0.00 0.00 37.83 34.54 2qri s LYS 3 CO 0.24 0.33 1.16 0.99 -0.92 0.00 0.00 175.35 177.14 2qri s THR 4 N 0.06 3.94 0.38 2.17 2.01 -1.26 -2.09 115.64 120.86 2qri s THR 4 Ca -0.04 1.51 -0.26 0.00 0.31 0.00 0.00 61.69 63.21 2qri s THR 4 Cb -0.14 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 2qri s THR 4 CO 0.04 0.19 1.24 -2.16 -0.69 0.00 0.00 174.62 173.23 2qri s PRO 5 N 0.37 4.12 -0.02 4.92 0.04 -1.26 -4.39 135.00 138.78 2qri s PRO 5 Ca 0.54 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 2qri s PRO 5 Cb -0.30 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 2qri s PRO 5 CO 0.32 -0.32 0.14 -0.65 0.04 0.00 0.00 177.00 176.53 2qri s GLN 6 N -2.12 3.30 -0.00 4.56 -0.21 0.33 -4.94 119.66 120.57 2qri s GLN 6 Ca 0.55 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.60 2qri s GLN 6 Cb -0.35 -3.02 -0.01 0.00 1.00 0.00 0.00 33.01 30.63 2qri s GLN 6 CO 0.45 0.68 -0.11 0.42 -2.12 0.00 0.00 175.29 174.61 2qri s ILE 7 N -1.24 0.86 -0.02 1.08 1.01 -1.26 -1.91 121.20 119.71 2qri s ILE 7 Ca 0.24 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.38 2qri s ILE 7 Cb -0.12 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.62 2qri s ILE 7 CO 0.15 0.20 -0.06 -1.10 0.00 0.00 0.00 174.94 174.13 2qri s GLN 8 N -0.37 0.70 -0.11 2.79 -0.21 -0.83 -5.01 119.66 116.62 2qri s GLN 8 Ca 0.03 -0.17 0.02 0.00 0.02 0.00 0.00 55.36 55.26 2qri s GLN 8 Cb -0.05 -0.69 0.01 0.00 1.00 0.00 0.00 33.01 33.28 2qri s GLN 8 CO -0.00 0.03 -0.17 0.08 -2.12 0.00 0.00 175.29 173.11 2qri s VAL 9 N 0.39 1.64 0.06 1.09 1.01 -1.26 -0.72 120.40 122.61 2qri s VAL 9 Ca -0.05 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 2qri s VAL 9 Cb -0.09 -1.47 0.09 0.00 0.00 0.00 0.00 36.38 34.91 2qri s VAL 9 CO 0.00 0.47 0.77 -0.72 0.00 0.00 0.00 175.10 175.62 2qri s TYR 10 N 0.84 -0.43 0.38 5.22 1.13 -0.70 -4.55 117.35 119.24 2qri s TYR 10 Ca -0.09 0.26 -0.07 0.00 -1.41 0.00 0.00 57.07 55.76 2qri s TYR 10 Cb -0.15 0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 2qri s TYR 10 CO 0.00 -0.67 0.69 -1.54 -2.51 0.00 0.00 175.55 171.52 2qri s SER 11 N -2.59 6.42 0.08 -0.18 1.04 -1.26 -0.13 113.70 117.08 2qri s SER 11 Ca 0.03 0.90 -0.16 0.00 0.48 0.00 0.00 55.95 57.20 2qri s SER 11 Cb -0.01 -2.23 -0.11 0.00 0.10 0.00 0.00 66.02 63.78 2qri s SER 11 CO -0.11 -0.36 1.39 -0.09 0.98 0.00 0.00 173.24 175.05 2qri h ARG 12 N 1.14 0.62 -6.08 4.02 2.43 -1.11 -3.46 114.38 111.94 2qri h ARG 12 Ca -0.47 -0.34 -0.57 0.00 -0.81 0.00 0.00 59.98 57.78 2qri h ARG 12 Cb 1.19 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.66 2qri h ARG 12 CO 0.64 0.94 -0.61 -1.01 -1.51 0.00 0.00 179.97 178.42 2qri s HIS 13 N -4.28 2.59 0.21 2.20 3.76 -1.26 -4.97 115.29 113.54 2qri s HIS 13 Ca -0.13 -0.38 -0.32 0.00 -0.15 0.00 0.00 55.06 54.08 2qri s HIS 13 Cb 0.08 -1.44 -0.14 0.00 1.11 0.00 0.00 32.58 32.19 2qri s HIS 13 CO 0.81 0.49 1.49 -2.30 -0.85 0.00 0.00 174.74 174.38 2qri n PRO 14 N -0.97 2.11 -2.38 8.40 -0.02 -1.26 -4.87 135.00 136.01 2qri n PRO 14 Ca -0.04 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 2qri n PRO 14 Cb 0.61 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 2qri n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2qri s PRO 15 N 0.15 4.24 -0.15 0.52 0.04 -1.26 -5.01 135.00 133.53 2qri s PRO 15 Ca 0.73 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2qri s PRO 15 Cb -0.66 -3.75 0.02 0.00 0.04 0.00 0.00 34.50 30.15 2qri s PRO 15 CO 0.45 -0.69 -0.16 -1.21 0.04 0.00 0.00 177.00 175.43 2qri s GLU 16 N 3.37 2.46 0.11 4.56 2.02 -1.26 -5.09 118.70 124.87 2qri s GLU 16 Ca 0.57 -0.63 -0.33 0.00 0.02 0.00 0.00 54.97 54.60 2qri s GLU 16 Cb -0.23 -2.18 -0.13 0.00 0.10 0.00 0.00 34.13 31.69 2qri s GLU 16 CO 0.17 -0.19 1.69 0.09 0.02 0.00 0.00 175.26 177.05 2qri n ASN 17 N 4.61 3.41 0.00 -0.19 3.02 -1.26 -1.48 115.26 123.36 2qri n ASN 17 Ca -0.18 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.41 2qri n ASN 17 Cb 0.50 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 2qri n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qri n GLY 18 N 3.79 1.22 3.61 7.41 0.00 -0.52 -5.01 105.19 115.69 2qri n GLY 18 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2qri n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qri s LYS 19 N -0.76 3.95 0.37 1.61 -0.14 -0.55 -4.98 119.74 119.25 2qri s LYS 19 Ca 0.00 -0.33 -0.27 0.00 -1.36 0.00 0.00 55.97 54.00 2qri s LYS 19 Cb 0.00 -3.43 -0.11 0.00 -1.68 0.00 0.00 37.83 32.61 2qri s LYS 19 CO 0.00 0.04 1.34 -0.35 -0.76 0.00 0.00 175.35 175.62 2qri n PRO 20 N 4.30 2.22 -1.29 -1.68 -0.04 -1.26 -4.26 135.00 132.99 2qri n PRO 20 Ca -0.15 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 2qri n PRO 20 Cb 0.52 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2qri n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2qri n ASN 21 N 0.53 0.00 -4.05 3.54 2.85 0.22 -4.96 115.26 113.39 2qri n ASN 21 Ca 0.04 -0.75 -0.23 0.00 -0.11 0.00 0.00 54.58 53.53 2qri n ASN 21 Cb 0.38 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.24 2qri n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2qri s ILE 22 N -2.12 1.08 -0.18 -1.44 -1.09 -1.26 -2.03 121.20 114.16 2qri s ILE 22 Ca 0.00 -0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 57.88 2qri s ILE 22 Cb 0.00 -0.95 -0.02 0.00 -1.58 0.00 0.00 42.46 39.90 2qri s ILE 22 CO 0.00 0.33 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.79 2qri s LEU 23 N 0.27 3.19 0.08 2.97 2.96 -0.11 -0.59 118.68 127.44 2qri s LEU 23 Ca -0.06 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 2qri s LEU 23 Cb -0.11 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2qri s LEU 23 CO 0.02 0.11 0.08 0.20 -1.32 0.00 0.00 176.35 175.44 2qri s ASN 24 N 0.72 5.52 -0.30 3.68 0.01 0.82 -1.69 114.94 123.69 2qri s ASN 24 Ca -0.01 -0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.11 2qri s ASN 24 Cb -0.14 -1.48 0.10 0.00 0.41 0.00 0.00 41.25 40.13 2qri s ASN 24 CO 0.02 0.18 0.11 0.00 -1.51 0.00 0.00 177.10 175.89 2qri s TYR 26 N 1.76 3.22 -0.18 0.00 5.04 0.10 -1.12 117.35 126.16 2qri s TYR 26 Ca 0.09 0.31 -0.02 0.00 -2.44 0.00 0.00 57.07 55.02 2qri s TYR 26 Cb -0.17 -2.77 -0.00 0.00 0.35 0.00 0.00 41.96 39.36 2qri s TYR 26 CO -0.28 -0.40 -0.10 0.08 -1.34 0.00 0.00 175.55 173.51 2qri s VAL 27 N 2.26 3.01 0.34 3.14 1.01 -0.15 -1.96 120.40 128.06 2qri s VAL 27 Ca 0.18 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2qri s VAL 27 Cb -0.16 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2qri s VAL 27 CO 0.11 0.48 0.15 0.42 0.00 0.00 0.00 175.10 176.26 2qri s THR 28 N 1.09 0.46 -2.00 3.92 -4.23 -0.80 -0.45 115.64 113.62 2qri s THR 28 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2qri s THR 28 Cb -0.15 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2qri s THR 28 CO -0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.06 2qri n GLN 29 N -0.70 -1.54 -4.07 3.99 1.13 -0.90 -0.51 117.38 114.78 2qri n GLN 29 Ca -0.01 1.12 -0.25 0.00 -1.94 0.00 0.00 57.00 55.92 2qri n GLN 29 Cb 0.65 -5.59 -0.05 0.00 0.11 0.00 0.00 30.24 25.36 2qri n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2qri s PHE 30 N -2.81 3.20 -0.28 1.08 -0.71 -1.17 -4.11 117.98 113.19 2qri s PHE 30 Ca 0.00 -0.02 -0.19 0.00 -1.04 0.00 0.00 56.93 55.67 2qri s PHE 30 Cb 0.00 -1.51 0.11 0.00 -1.21 0.00 0.00 43.02 40.42 2qri s PHE 30 CO 0.00 0.51 0.88 -1.58 -1.34 0.00 0.00 175.22 173.69 2qri s HIS 31 N -1.86 -0.72 1.14 3.49 2.46 -0.89 -1.01 115.29 117.90 2qri s HIS 31 Ca 0.32 1.53 -0.12 0.00 0.47 0.00 0.00 55.06 57.26 2qri s HIS 31 Cb -0.10 0.42 0.27 0.00 -0.13 0.00 0.00 32.58 33.04 2qri s HIS 31 CO 0.25 -0.35 1.04 -1.25 -2.47 0.00 0.00 174.74 171.96 2qri s PRO 32 N 1.02 -0.73 0.51 2.88 0.04 -1.26 -0.64 135.00 136.82 2qri s PRO 32 Ca -0.05 0.93 0.29 0.00 0.04 0.00 0.00 61.00 62.21 2qri s PRO 32 Cb -0.05 -1.57 1.30 0.00 0.04 0.00 0.00 34.50 34.23 2qri s PRO 32 CO -0.12 -3.63 1.98 -1.00 0.04 0.00 0.00 177.00 174.27 2qri h PRO 33 N -2.56 0.00 -6.48 0.56 0.13 -1.98 -3.44 132.00 118.23 2qri h PRO 33 Ca -0.59 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.00 2qri h PRO 33 Cb 1.33 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.48 2qri h PRO 33 CO 0.49 0.12 0.93 -1.58 -0.23 0.00 0.00 178.00 177.73 2qri s HIS 34 N -3.84 2.69 0.00 1.56 2.46 -1.26 -4.98 115.29 111.92 2qri s HIS 34 Ca -0.01 0.51 -0.22 0.00 0.47 0.00 0.00 55.06 55.81 2qri s HIS 34 Cb 0.11 -3.89 0.05 0.00 -0.13 0.00 0.00 32.58 28.71 2qri s HIS 34 CO 0.58 -3.45 0.48 -1.50 -2.47 0.00 0.00 174.74 168.38 2qri s ILE 35 N 2.16 0.03 -0.12 0.89 2.07 -1.26 -4.66 121.20 120.32 2qri s ILE 35 Ca 0.71 -0.29 0.02 0.00 -1.41 0.00 0.00 60.65 59.68 2qri s ILE 35 Cb -0.39 -0.88 0.01 0.00 0.13 0.00 0.00 42.46 41.33 2qri s ILE 35 CO 0.31 -0.16 -0.18 -1.61 -1.91 0.00 0.00 174.94 171.39 2qri s GLU 36 N -1.81 2.54 -0.09 3.50 2.02 -0.50 -5.00 118.70 119.35 2qri s GLU 36 Ca -0.09 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.24 2qri s GLU 36 Cb -0.02 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.12 2qri s GLU 36 CO 0.03 -0.04 -0.16 0.42 0.02 0.00 0.00 175.26 175.53 2qri s ILE 37 N 0.91 1.48 -0.01 -1.63 1.01 -1.26 -0.51 121.20 121.19 2qri s ILE 37 Ca -0.07 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 59.97 2qri s ILE 37 Cb -0.15 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 2qri s ILE 37 CO -0.01 0.43 -0.15 -1.10 0.00 0.00 0.00 174.94 174.11 2qri s GLN 38 N 0.76 1.18 -0.13 2.79 -0.21 -0.05 -4.99 119.66 119.01 2qri s GLN 38 Ca -0.12 -0.56 -0.04 0.00 0.02 0.00 0.00 55.36 54.67 2qri s GLN 38 Cb -0.16 -1.15 -0.03 0.00 1.00 0.00 0.00 33.01 32.67 2qri s GLN 38 CO 0.02 0.31 0.00 -1.64 -2.12 0.00 0.00 175.29 171.87 2qri s MET 39 N -0.44 3.46 -0.05 2.91 -1.94 -1.26 0.04 119.30 122.02 2qri s MET 39 Ca 0.05 -0.43 0.04 0.00 -1.71 0.00 0.00 55.69 53.65 2qri s MET 39 Cb -0.06 -2.94 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 2qri s MET 39 CO -0.00 0.45 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.76 2qri s LEU 40 N -0.17 2.50 -0.29 -0.03 1.43 0.64 -0.58 118.68 122.19 2qri s LEU 40 Ca 0.05 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2qri s LEU 40 Cb -0.13 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.66 2qri s LEU 40 CO 0.02 0.31 -0.04 -0.75 0.23 0.00 0.00 176.35 176.11 2qri s LYS 41 N -0.51 2.33 -1.52 1.70 2.20 -0.04 -0.68 119.74 123.22 2qri s LYS 41 Ca 0.07 -1.32 -0.05 0.00 -0.36 0.00 0.00 55.97 54.30 2qri s LYS 41 Cb -0.11 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2qri s LYS 41 CO 0.01 -0.61 0.61 0.09 -0.36 0.00 0.00 175.35 175.09 2qri n ASN 42 N 4.53 -5.82 0.00 1.43 3.02 0.73 -2.00 115.26 117.16 2qri n ASN 42 Ca -0.13 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2qri n ASN 42 Cb 0.43 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 2qri n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qri n GLY 43 N -1.50 1.64 3.81 7.41 0.00 -1.26 -5.04 105.19 110.24 2qri n GLY 43 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2qri n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qri s LYS 44 N -0.47 3.59 0.18 1.61 2.47 -0.85 -5.01 119.74 121.26 2qri s LYS 44 Ca 0.00 -0.20 -0.33 0.00 -1.56 0.00 0.00 55.97 53.88 2qri s LYS 44 Cb 0.00 -3.19 -0.13 0.00 -1.46 0.00 0.00 37.83 33.05 2qri s LYS 44 CO 0.00 0.63 1.67 1.63 0.16 0.00 0.00 175.35 179.44 2qri n LYS 45 N 2.45 2.52 -2.94 4.03 5.02 -1.26 -0.86 118.16 127.12 2qri n LYS 45 Ca -0.19 0.91 -0.42 0.00 -2.02 0.00 0.00 58.31 56.59 2qri n LYS 45 Cb 0.54 -2.73 -0.05 0.00 -0.02 0.00 0.00 35.03 32.77 2qri n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qri s ILE 46 N 1.18 4.77 0.06 -0.18 1.01 0.26 -4.86 121.20 123.44 2qri s ILE 46 Ca 0.77 1.13 -0.26 0.00 0.00 0.00 0.00 60.65 62.30 2qri s ILE 46 Cb -0.58 -4.17 -0.17 0.00 0.01 0.00 0.00 42.46 37.56 2qri s ILE 46 CO 0.35 -0.30 1.59 -0.65 0.00 0.00 0.00 174.94 175.93 2qri h PRO 47 N 8.20 -0.25 -4.60 2.79 0.11 -1.92 -3.37 132.00 132.97 2qri h PRO 47 Ca -0.24 0.02 -0.74 0.00 0.11 0.00 0.00 66.00 65.15 2qri h PRO 47 Cb 1.09 0.06 -0.20 0.00 0.11 0.00 0.00 31.00 32.06 2qri h PRO 47 CO 0.89 -0.09 0.98 0.15 -0.21 0.00 0.00 178.00 179.73 2qri s LYS 48 N -5.73 3.93 -0.16 1.05 1.02 -1.26 -4.96 119.74 113.62 2qri s LYS 48 Ca -0.15 -2.42 -0.02 0.00 0.02 0.00 0.00 55.97 53.41 2qri s LYS 48 Cb 0.04 -4.90 -0.01 0.00 -0.52 0.00 0.00 37.83 32.44 2qri s LYS 48 CO 0.64 -1.66 -0.10 0.08 -0.92 0.00 0.00 175.35 173.39 2qri s VAL 49 N 1.40 3.19 0.12 3.17 1.01 -1.26 -4.57 120.40 123.46 2qri s VAL 49 Ca 0.36 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 2qri s VAL 49 Cb -0.05 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2qri s VAL 49 CO -0.05 0.49 0.36 -1.61 0.00 0.00 0.00 175.10 174.29 2qri s GLU 50 N 0.76 3.61 -0.08 2.72 2.02 0.47 -4.92 118.70 123.28 2qri s GLU 50 Ca -0.04 -0.10 0.02 0.00 0.02 0.00 0.00 54.97 54.88 2qri s GLU 50 Cb -0.15 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.20 2qri s GLU 50 CO 0.02 0.50 -0.14 -1.64 0.02 0.00 0.00 175.26 174.01 2qri s MET 51 N -2.52 2.02 0.97 1.61 -1.94 -1.26 -0.64 119.30 117.53 2qri s MET 51 Ca 0.39 -0.51 -0.12 0.00 -1.71 0.00 0.00 55.69 53.74 2qri s MET 51 Cb -0.12 -1.67 0.17 0.00 2.01 0.00 0.00 34.83 35.22 2qri s MET 51 CO 0.24 0.01 1.09 -1.54 -0.01 0.00 0.00 175.02 174.81 2qri s SER 52 N 0.75 2.86 0.77 3.03 1.04 0.15 -4.99 113.70 117.30 2qri s SER 52 Ca -0.12 1.29 -0.11 0.00 0.48 0.00 0.00 55.95 57.48 2qri s SER 52 Cb -0.16 -1.96 0.05 0.00 0.10 0.00 0.00 66.02 64.06 2qri s SER 52 CO 0.03 -3.00 1.10 -1.81 0.98 0.00 0.00 173.24 170.54 2qri s ASP 53 N -3.44 4.51 0.15 7.02 1.01 -1.26 -4.70 116.67 119.96 2qri s ASP 53 Ca 0.65 1.86 -0.09 0.00 0.71 0.00 0.00 52.55 55.68 2qri s ASP 53 Cb -0.18 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.16 2qri s ASP 53 CO 0.57 -2.04 0.46 -0.32 0.21 0.00 0.00 175.17 174.06 2qri s MET 54 N -4.80 3.76 0.36 8.23 1.75 -1.26 -4.69 119.30 122.66 2qri s MET 54 Ca 0.62 0.18 0.06 0.00 -1.25 0.00 0.00 55.69 55.30 2qri s MET 54 Cb -0.18 -2.83 -0.03 0.00 2.84 0.00 0.00 34.83 34.63 2qri s MET 54 CO 0.54 0.45 0.22 -1.12 -0.65 0.00 0.00 175.02 174.46 2qri s SER 55 N -2.13 2.13 0.02 1.11 0.01 -0.96 -5.02 113.70 108.86 2qri s SER 55 Ca 0.40 -1.74 -0.09 0.00 1.31 0.00 0.00 55.95 55.83 2qri s SER 55 Cb -0.13 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2qri s SER 55 CO 0.21 -1.03 0.18 0.72 0.41 0.00 0.00 173.24 173.74 2qri s PHE 56 N -3.35 0.03 0.57 2.43 -0.12 -1.26 -1.39 117.98 114.89 2qri s PHE 56 Ca 0.34 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 57.12 2qri s PHE 56 Cb 0.02 -0.03 0.07 0.00 -0.63 0.00 0.00 43.02 42.46 2qri s PHE 56 CO 0.22 -0.37 0.67 -1.54 -0.05 0.00 0.00 175.22 174.16 2qri s SER 57 N -1.77 4.94 0.44 1.98 1.04 -0.33 -4.95 113.70 115.05 2qri s SER 57 Ca -0.09 -0.99 0.27 0.00 0.48 0.00 0.00 55.95 55.62 2qri s SER 57 Cb -0.04 0.36 1.32 0.00 0.10 0.00 0.00 66.02 67.77 2qri s SER 57 CO -0.01 -1.28 1.71 0.11 0.98 0.00 0.00 173.24 174.75 2qri h LYS 58 N 0.35 0.19 -0.20 4.02 1.57 -2.03 0.58 116.57 121.06 2qri h LYS 58 Ca -0.32 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2qri h LYS 58 Cb 1.29 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2qri h LYS 58 CO 0.46 0.13 0.00 -0.40 -0.57 0.00 0.00 179.45 179.07 2qri n ASP 59 N -4.55 1.13 0.00 0.86 5.68 -1.26 -4.91 116.55 113.51 2qri n ASP 59 Ca 0.31 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 2qri n ASP 59 Cb 1.19 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 41.04 2qri n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2qri n TRP 60 N 0.09 0.00 -3.17 2.11 5.03 0.20 -4.98 117.44 116.73 2qri n TRP 60 Ca 0.08 0.00 -0.36 0.00 3.03 0.00 0.00 57.50 60.25 2qri n TRP 60 Cb 0.19 -0.12 -0.06 0.00 -1.03 0.00 0.00 31.31 30.29 2qri n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2qri s SER 61 N -3.03 7.01 0.47 -0.99 1.04 -1.26 -4.81 113.70 112.13 2qri s SER 61 Ca 0.00 1.33 -0.07 0.00 0.48 0.00 0.00 55.95 57.69 2qri s SER 61 Cb 0.00 -2.39 -0.05 0.00 0.10 0.00 0.00 66.02 63.69 2qri s SER 61 CO 0.00 0.06 0.80 -0.36 0.98 0.00 0.00 173.24 174.72 2qri s PHE 62 N -1.48 3.54 -0.01 5.02 0.40 -0.18 -1.19 117.98 124.07 2qri s PHE 62 Ca 0.41 0.92 -0.14 0.00 -0.60 0.00 0.00 56.93 57.51 2qri s PHE 62 Cb -0.17 -2.37 0.02 0.00 0.51 0.00 0.00 43.02 41.01 2qri s PHE 62 CO 0.21 -0.25 0.30 1.52 0.70 0.00 0.00 175.22 177.70 2qri s TYR 63 N -2.65 -0.17 -0.01 0.36 1.13 -0.48 -2.12 117.35 113.41 2qri s TYR 63 Ca 0.49 0.23 -0.23 0.00 -1.41 0.00 0.00 57.07 56.15 2qri s TYR 63 Cb -0.10 0.09 0.05 0.00 -1.10 0.00 0.00 41.96 40.89 2qri s TYR 63 CO 0.41 -0.39 0.51 -1.50 -2.51 0.00 0.00 175.55 172.07 2qri s ILE 64 N -1.38 0.03 -0.17 -3.49 2.07 0.40 -2.27 121.20 116.38 2qri s ILE 64 Ca -0.13 -0.24 -0.01 0.00 -1.41 0.00 0.00 60.65 58.86 2qri s ILE 64 Cb -0.05 -0.88 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 2qri s ILE 64 CO 0.04 -0.13 -0.12 -0.22 -1.91 0.00 0.00 174.94 172.60 2qri s LEU 65 N -1.49 2.63 -0.03 8.50 2.96 -1.26 -0.98 118.68 129.01 2qri s LEU 65 Ca -0.10 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 2qri s LEU 65 Cb -0.02 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2qri s LEU 65 CO 0.04 0.08 -0.05 0.00 -1.32 0.00 0.00 176.35 175.11 2qri s ALA 66 N 0.87 3.08 0.00 5.97 0.00 -0.27 -0.68 121.76 130.73 2qri s ALA 66 Ca -0.03 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 2qri s ALA 66 Cb -0.15 -1.25 0.04 0.00 0.00 0.00 0.00 23.12 21.76 2qri s ALA 66 CO -0.00 0.60 0.42 -3.38 0.00 0.00 0.00 175.76 173.39 2qri s HIS 67 N -0.93 -0.30 0.05 0.00 -3.43 0.18 -0.16 115.29 110.70 2qri s HIS 67 Ca 0.15 0.41 -0.06 0.00 -0.80 0.00 0.00 55.06 54.76 2qri s HIS 67 Cb -0.11 0.20 -0.01 0.00 -1.43 0.00 0.00 32.58 31.22 2qri s HIS 67 CO 0.05 -0.50 0.10 -0.08 -2.00 0.00 0.00 174.74 172.31 2qri s THR 68 N -1.74 0.14 0.39 -5.38 -1.32 -0.68 -0.39 115.64 106.66 2qri s THR 68 Ca -0.10 -1.19 -0.17 0.00 -1.21 0.00 0.00 61.69 59.02 2qri s THR 68 Cb -0.03 -1.04 -0.10 0.00 -1.51 0.00 0.00 72.50 69.83 2qri s THR 68 CO 0.03 -0.66 0.85 -1.61 -2.21 0.00 0.00 174.62 171.02 2qri s GLU 69 N -2.97 4.08 -0.01 7.08 2.02 -1.26 -0.93 118.70 126.71 2qri s GLU 69 Ca -0.02 0.87 -0.29 0.00 0.02 0.00 0.00 54.97 55.55 2qri s GLU 69 Cb 0.01 -2.30 0.10 0.00 0.10 0.00 0.00 34.13 32.04 2qri s GLU 69 CO -0.06 0.04 0.89 -0.59 0.02 0.00 0.00 175.26 175.55 2qri s PHE 70 N -2.13 -0.35 -0.36 1.61 -0.71 -0.86 -4.85 117.98 110.32 2qri s PHE 70 Ca 0.58 0.24 0.02 0.00 -1.04 0.00 0.00 56.93 56.73 2qri s PHE 70 Cb -0.10 0.53 0.11 0.00 -1.21 0.00 0.00 43.02 42.35 2qri s PHE 70 CO 0.17 -0.54 0.11 0.99 -1.34 0.00 0.00 175.22 174.62 2qri s THR 71 N -3.01 1.67 0.55 -4.49 2.01 -1.26 0.73 115.64 111.83 2qri s THR 71 Ca 0.04 -2.11 -0.21 0.00 0.31 0.00 0.00 61.69 59.73 2qri s THR 71 Cb -0.01 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.22 2qri s THR 71 CO -0.08 -0.68 1.15 -0.81 -0.69 0.00 0.00 174.62 173.50 2qri n PRO 72 N 4.28 1.33 -4.44 4.92 -0.04 -1.26 -4.71 135.00 135.08 2qri n PRO 72 Ca 0.02 0.49 -0.21 0.00 -0.04 0.00 0.00 63.50 63.77 2qri n PRO 72 Cb 0.40 -2.33 -0.11 0.00 -0.04 0.00 0.00 33.50 31.43 2qri n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2qri s THR 73 N -1.37 1.16 0.23 0.52 2.01 -1.26 -1.43 115.64 115.49 2qri s THR 73 Ca 0.72 -2.00 -0.08 0.00 0.31 0.00 0.00 61.69 60.64 2qri s THR 73 Cb -0.44 -2.77 0.19 0.00 0.01 0.00 0.00 72.50 69.49 2qri s THR 73 CO 0.50 -0.01 1.85 -0.08 -0.69 0.00 0.00 174.62 176.18 2qri h GLU 74 N 2.14 1.21 -0.01 4.92 4.57 -1.97 -3.33 114.58 122.12 2qri h GLU 74 Ca -0.41 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 2qri h GLU 74 Cb 1.24 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2qri h GLU 74 CO 0.69 0.89 -0.34 0.25 -1.18 0.00 0.00 179.01 179.31 2qri n THR 75 N -4.36 0.00 -2.38 0.32 -2.24 -1.26 -4.98 114.28 99.38 2qri n THR 75 Ca 0.09 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 2qri n THR 75 Cb 0.10 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 2qri n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qri s ASP 76 N -1.75 7.01 -0.06 3.42 1.01 -1.25 -5.03 116.67 120.02 2qri s ASP 76 Ca 0.09 2.00 -0.04 0.00 0.71 0.00 0.00 52.55 55.31 2qri s ASP 76 Cb 0.10 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2qri s ASP 76 CO 0.37 -0.56 0.16 0.42 0.21 0.00 0.00 175.17 175.77 2qri s THR 77 N 1.66 5.46 0.14 -1.27 -4.23 -1.26 -4.76 115.64 111.38 2qri s THR 77 Ca 0.59 -0.01 0.08 0.00 -1.18 0.00 0.00 61.69 61.18 2qri s THR 77 Cb -0.29 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 2qri s THR 77 CO 0.27 0.45 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.30 2qri s TYR 78 N -1.20 1.76 0.22 3.99 1.51 -1.26 -0.19 117.35 122.19 2qri s TYR 78 Ca 0.22 -0.46 -0.14 0.00 -1.01 0.00 0.00 57.07 55.68 2qri s TYR 78 Cb -0.12 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 2qri s TYR 78 CO 0.13 0.28 0.48 0.00 -1.11 0.00 0.00 175.55 175.32 2qri s ALA 79 N -1.82 -0.44 -0.06 3.71 0.00 0.14 -0.89 121.76 122.40 2qri s ALA 79 Ca 0.12 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2qri s ALA 79 Cb -0.07 0.97 0.02 0.00 0.00 0.00 0.00 23.12 24.04 2qri s ALA 79 CO 0.06 -0.83 -0.09 0.00 0.00 0.00 0.00 175.76 174.90 2qri s ARG 81 N 0.85 3.30 -0.10 0.00 3.52 0.11 -0.43 118.95 126.20 2qri s ARG 81 Ca -0.12 -0.73 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 2qri s ARG 81 Cb -0.15 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2qri s ARG 81 CO 0.01 0.18 -0.23 0.08 -0.81 0.00 0.00 175.30 174.54 2qri s VAL 82 N 0.42 1.95 -0.15 7.11 1.01 0.04 -0.87 120.40 129.91 2qri s VAL 82 Ca -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 2qri s VAL 82 Cb -0.16 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2qri s VAL 82 CO 0.05 0.54 -0.11 -0.75 0.00 0.00 0.00 175.10 174.83 2qri s LYS 83 N 0.38 3.41 -0.13 2.72 2.20 0.33 -1.01 119.74 127.64 2qri s LYS 83 Ca -0.18 -0.66 -0.17 0.00 -0.36 0.00 0.00 55.97 54.60 2qri s LYS 83 Cb -0.18 -2.73 0.04 0.00 -1.51 0.00 0.00 37.83 33.45 2qri s LYS 83 CO 0.08 0.13 0.45 -1.58 -0.36 0.00 0.00 175.35 174.07 2qri s HIS 84 N 0.58 -0.45 0.62 4.03 2.46 -1.26 -1.42 115.29 119.86 2qri s HIS 84 Ca -0.07 1.01 0.28 0.00 0.47 0.00 0.00 55.06 56.75 2qri s HIS 84 Cb -0.15 0.18 1.45 0.00 -0.13 0.00 0.00 32.58 33.92 2qri s HIS 84 CO 0.03 -0.31 1.85 0.00 -2.47 0.00 0.00 174.74 173.84 2qri h ALA 85 N 4.85 1.90 0.00 1.58 0.00 -1.94 -0.38 119.26 125.26 2qri h ALA 85 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qri h ALA 85 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2qri h ALA 85 CO 0.27 -0.63 0.00 -1.13 0.00 0.00 0.00 179.25 177.77 2qri n SER 86 N -3.35 0.66 -4.45 0.00 3.41 -1.26 -4.78 113.62 103.85 2qri n SER 86 Ca 0.05 0.63 -0.30 0.00 -0.26 0.00 0.00 58.87 58.99 2qri n SER 86 Cb 0.61 -0.78 -0.13 0.00 -0.26 0.00 0.00 64.21 63.65 2qri n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qri s MET 87 N -3.23 1.89 0.09 4.33 -1.94 -0.15 -4.90 119.30 115.39 2qri s MET 87 Ca 0.06 -1.09 -0.21 0.00 -1.71 0.00 0.00 55.69 52.75 2qri s MET 87 Cb 0.10 -2.11 -0.10 0.00 2.01 0.00 0.00 34.83 34.73 2qri s MET 87 CO 0.45 0.51 1.65 0.00 -0.01 0.00 0.00 175.02 177.61 2qri h ALA 88 N 4.27 0.21 -2.23 3.03 0.00 -1.86 -3.45 119.26 119.23 2qri h ALA 88 Ca -0.48 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 53.98 2qri h ALA 88 Cb 1.16 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 2qri h ALA 88 CO 0.46 -0.22 -0.65 -1.83 0.00 0.00 0.00 179.25 177.01 2qri s GLU 89 N -5.65 1.31 0.61 0.00 -1.05 -1.26 -5.10 118.70 107.55 2qri s GLU 89 Ca -0.14 -1.66 -0.20 0.00 -0.15 0.00 0.00 54.97 52.83 2qri s GLU 89 Cb 0.07 -0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 33.23 2qri s GLU 89 CO 0.70 -0.13 1.32 -2.14 0.95 0.00 0.00 175.26 175.96 2qri s PRO 90 N -3.90 2.79 -0.22 -4.83 0.02 -1.26 -4.89 135.00 122.72 2qri s PRO 90 Ca 0.29 2.13 -0.07 0.00 0.02 0.00 0.00 61.00 63.37 2qri s PRO 90 Cb 0.06 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 2qri s PRO 90 CO 0.08 -1.43 0.06 0.21 -0.33 0.00 0.00 177.00 175.59 2qri s LYS 91 N -3.19 3.73 -0.21 5.54 2.47 -0.18 -4.91 119.74 122.99 2qri s LYS 91 Ca 0.78 -0.45 -0.06 0.00 -1.56 0.00 0.00 55.97 54.68 2qri s LYS 91 Cb -0.39 -3.26 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 2qri s LYS 91 CO 0.43 -0.04 0.03 0.99 0.16 0.00 0.00 175.35 176.92 2qri s THR 92 N 1.20 4.17 -0.19 3.43 2.01 -1.26 -0.78 115.64 124.22 2qri s THR 92 Ca 0.04 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 2qri s THR 92 Cb -0.14 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2qri s THR 92 CO 0.03 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.55 2qri s VAL 93 N 1.09 2.70 0.29 3.82 1.01 0.42 -4.94 120.40 124.78 2qri s VAL 93 Ca 0.03 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 2qri s VAL 93 Cb -0.14 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 2qri s VAL 93 CO 0.02 0.49 0.80 -0.31 0.00 0.00 0.00 175.10 176.10 2qri s TYR 94 N 1.22 3.56 -0.14 5.22 1.51 -1.26 -0.52 117.35 126.95 2qri s TYR 94 Ca 0.02 1.46 -0.29 0.00 -1.01 0.00 0.00 57.07 57.25 2qri s TYR 94 Cb -0.14 -2.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.00 2qri s TYR 94 CO -0.06 0.21 1.31 -0.46 -1.11 0.00 0.00 175.55 175.44 2qri s TRP 95 N -1.71 2.78 -0.74 2.71 -0.00 -0.07 -4.85 118.94 117.07 2qri s TRP 95 Ca 0.49 0.93 -0.09 0.00 -0.00 0.00 0.00 56.10 57.42 2qri s TRP 95 Cb -0.15 -3.55 0.19 0.00 -0.00 0.00 0.00 33.47 29.97 2qri s TRP 95 CO 0.20 -1.94 0.63 0.34 -0.00 0.00 0.00 176.95 176.17 2qri s ASP 96 N 2.08 6.11 -0.01 5.86 -1.08 -1.26 -4.76 116.67 123.61 2qri s ASP 96 Ca 0.57 -2.75 0.02 0.00 -0.52 0.00 0.00 52.55 49.87 2qri s ASP 96 Cb -0.24 -2.06 0.06 0.00 -1.46 0.00 0.00 42.92 39.22 2qri s ASP 96 CO 0.17 -0.49 0.86 -2.11 0.52 0.00 0.00 175.17 174.13 2qri n ARG 97 N 3.78 1.21 -1.47 4.34 1.85 -1.26 -4.99 116.66 120.12 2qri n ARG 97 Ca 0.11 -0.23 -0.48 0.00 -1.00 0.00 0.00 57.85 56.24 2qri n ARG 97 Cb 0.43 -1.26 -0.03 0.00 -1.05 0.00 0.00 32.46 30.55 2qri n ARG 97 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2qri n ASP 98 N -0.17 -0.35 0.00 2.89 5.75 -1.26 -4.99 116.55 118.42 2qri n ASP 98 Ca 0.02 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 55.95 2qri n ASP 98 Cb 0.16 -1.04 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 2qri n ASP 98 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2qri n MET 99 N 1.06 0.00 -2.72 0.11 2.81 -1.26 -5.13 117.12 112.00 2qri n MET 99 Ca 0.16 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.84 2qri n MET 99 Cb 0.25 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.75 2qri n MET 99 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qri n GLY 1 N 0.00 4.53 3.95 3.03 0.00 -1.26 -4.87 105.19 110.57 2qri n GLY 1 Ca 0.00 -2.28 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 2qri n GLY 1 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qri s PRO 2 N -3.28 0.78 0.08 1.61 0.04 -1.26 -4.13 135.00 128.83 2qri s PRO 2 Ca 0.42 -0.59 -0.02 0.00 0.04 0.00 0.00 61.00 60.85 2qri s PRO 2 Cb 0.38 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.95 2qri s PRO 2 CO -0.11 -2.26 0.02 -1.01 0.04 0.00 0.00 177.00 173.68 2qri s HIS 3 N -3.75 0.55 -0.01 0.56 3.76 0.46 -4.97 115.29 111.89 2qri s HIS 3 Ca 0.73 -1.04 -0.05 0.00 -0.15 0.00 0.00 55.06 54.54 2qri s HIS 3 Cb -0.04 -0.36 0.00 0.00 1.11 0.00 0.00 32.58 33.29 2qri s HIS 3 CO 0.51 -0.44 0.11 -1.54 -0.85 0.00 0.00 174.74 172.53 2qri s SER 4 N -2.94 0.01 -0.25 1.40 1.04 -1.26 0.66 113.70 112.36 2qri s SER 4 Ca 0.11 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.44 2qri s SER 4 Cb 0.07 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.45 2qri s SER 4 CO -0.07 -0.26 -0.11 -0.22 0.98 0.00 0.00 173.24 173.56 2qri s LEU 5 N -0.96 3.21 -0.01 2.42 2.96 0.01 -0.82 118.68 125.49 2qri s LEU 5 Ca -0.11 -1.18 0.03 0.00 -0.22 0.00 0.00 54.13 52.66 2qri s LEU 5 Cb -0.06 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 2qri s LEU 5 CO 0.01 -0.15 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.65 2qri s ARG 6 N 1.18 0.83 -0.16 1.98 0.52 -0.41 -0.76 118.95 122.14 2qri s ARG 6 Ca -0.05 -0.35 -0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2qri s ARG 6 Cb -0.18 -0.80 -0.02 0.00 0.52 0.00 0.00 34.95 34.47 2qri s ARG 6 CO -0.06 0.21 -0.07 0.71 0.02 0.00 0.00 175.30 176.11 2qri s TYR 7 N -0.19 2.94 -0.25 -0.53 2.02 0.55 0.18 117.35 122.06 2qri s TYR 7 Ca 0.03 -0.53 -0.07 0.00 -0.37 0.00 0.00 57.07 56.13 2qri s TYR 7 Cb -0.04 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 2qri s TYR 7 CO -0.00 -0.19 0.05 -0.06 -1.57 0.00 0.00 175.55 173.78 2qri s PHE 8 N 0.57 3.07 -0.08 2.71 0.40 0.12 -1.67 117.98 123.10 2qri s PHE 8 Ca -0.05 -0.63 0.03 0.00 -0.60 0.00 0.00 56.93 55.69 2qri s PHE 8 Cb -0.15 -2.22 -0.02 0.00 0.51 0.00 0.00 43.02 41.14 2qri s PHE 8 CO 0.03 -0.44 -0.17 0.08 0.70 0.00 0.00 175.22 175.42 2qri s VAL 9 N 1.57 2.72 -0.07 -0.44 1.01 -0.22 -0.96 120.40 124.01 2qri s VAL 9 Ca 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2qri s VAL 9 Cb -0.15 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2qri s VAL 9 CO 0.02 0.56 -0.08 -0.89 0.00 0.00 0.00 175.10 174.71 2qri s THR 10 N -0.16 0.90 -0.13 3.92 2.01 -0.67 -1.21 115.64 120.30 2qri s THR 10 Ca -0.02 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.67 2qri s THR 10 Cb -0.14 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.53 2qri s THR 10 CO 0.04 0.31 -0.08 0.00 -0.69 0.00 0.00 174.62 174.20 2qri s ALA 11 N 0.99 1.43 -0.18 7.40 0.00 -0.10 -0.49 121.76 130.80 2qri s ALA 11 Ca -0.09 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2qri s ALA 11 Cb -0.15 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.01 2qri s ALA 11 CO 0.00 -0.52 -0.16 0.08 0.00 0.00 0.00 175.76 175.16 2qri s VAL 12 N 1.67 1.82 0.50 0.00 1.01 -0.09 -0.97 120.40 124.33 2qri s VAL 12 Ca 0.04 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 2qri s VAL 12 Cb -0.13 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 2qri s VAL 12 CO -0.08 0.42 0.99 -0.94 0.00 0.00 0.00 175.10 175.49 2qri s SER 13 N 1.37 6.56 -0.47 3.32 1.04 -0.43 -0.62 113.70 124.47 2qri s SER 13 Ca 0.03 1.67 0.06 0.00 0.48 0.00 0.00 55.95 58.19 2qri s SER 13 Cb -0.14 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.66 2qri s SER 13 CO -0.11 -0.63 0.61 -2.11 0.98 0.00 0.00 173.24 171.98 2qri n ARG 14 N -1.36 0.48 -1.57 4.02 1.85 -1.26 -3.92 116.66 114.90 2qri n ARG 14 Ca 0.07 -2.49 -0.53 0.00 -1.00 0.00 0.00 57.85 53.90 2qri n ARG 14 Cb 0.54 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.38 2qri n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2qri n PRO 15 N 2.53 0.90 0.00 2.89 -0.02 -1.26 -1.46 135.00 138.58 2qri n PRO 15 Ca 0.21 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2qri n PRO 15 Cb 0.54 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2qri n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qri n GLY 16 N 2.27 1.89 0.04 -1.23 0.00 -1.26 -4.73 105.19 102.18 2qri n GLY 16 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2qri n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qri n LEU 17 N 0.00 0.08 0.00 0.99 4.77 -0.54 -5.00 117.00 117.30 2qri n LEU 17 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2qri n LEU 17 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2qri n LEU 17 CO 0.00 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2qri n GLY 18 N 0.44 -0.10 3.81 -0.72 0.00 -1.15 -5.01 105.19 102.47 2qri n GLY 18 Ca 0.00 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 2qri n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qri s GLU 19 N 0.00 2.95 0.58 1.61 0.41 -1.26 -4.45 118.70 118.53 2qri s GLU 19 Ca 0.00 1.02 -0.20 0.00 -0.41 0.00 0.00 54.97 55.38 2qri s GLU 19 Cb 0.00 -1.99 -0.04 0.00 -1.78 0.00 0.00 34.13 30.32 2qri s GLU 19 CO 0.00 -1.10 1.28 -2.14 -0.49 0.00 0.00 175.26 172.81 2qri s PRO 20 N -4.85 3.00 -0.09 0.39 0.02 -1.26 -4.64 135.00 127.57 2qri s PRO 20 Ca 0.59 2.02 -0.24 0.00 0.02 0.00 0.00 61.00 63.40 2qri s PRO 20 Cb -0.15 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.27 2qri s PRO 20 CO 0.52 -1.24 0.73 0.50 -0.33 0.00 0.00 177.00 177.18 2qri s ARG 21 N -3.13 4.40 -0.07 5.54 3.52 0.21 -4.88 118.95 124.54 2qri s ARG 21 Ca 0.75 0.90 0.05 0.00 -0.13 0.00 0.00 55.73 57.30 2qri s ARG 21 Cb -0.36 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.55 2qri s ARG 21 CO 0.40 -0.03 -0.22 -0.47 -0.81 0.00 0.00 175.30 174.17 2qri s TYR 22 N 1.14 2.22 0.01 5.12 5.04 -1.26 -0.92 117.35 128.70 2qri s TYR 22 Ca 0.37 -0.75 0.01 0.00 -2.44 0.00 0.00 57.07 54.26 2qri s TYR 22 Cb -0.17 -1.48 -0.01 0.00 0.35 0.00 0.00 41.96 40.64 2qri s TYR 22 CO 0.17 -0.27 -0.03 -1.64 -1.34 0.00 0.00 175.55 172.43 2qri s MET 23 N 0.11 0.28 -0.11 4.97 -1.94 0.36 -0.56 119.30 122.41 2qri s MET 23 Ca -0.09 -0.34 -0.00 0.00 -1.71 0.00 0.00 55.69 53.54 2qri s MET 23 Cb -0.15 -0.13 0.02 0.00 2.01 0.00 0.00 34.83 36.59 2qri s MET 23 CO 0.05 0.02 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.80 2qri s GLU 24 N -0.69 1.44 -0.12 2.03 2.02 -0.30 -1.68 118.70 121.41 2qri s GLU 24 Ca -0.05 -0.22 0.03 0.00 0.02 0.00 0.00 54.97 54.74 2qri s GLU 24 Cb -0.05 -1.52 0.01 0.00 0.10 0.00 0.00 34.13 32.66 2qri s GLU 24 CO -0.00 -0.26 -0.22 0.08 0.02 0.00 0.00 175.26 174.88 2qri s VAL 25 N 1.70 1.97 -0.05 2.63 1.01 -0.14 -0.75 120.40 126.77 2qri s VAL 25 Ca 0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2qri s VAL 25 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2qri s VAL 25 CO -0.08 0.54 0.05 -0.83 0.00 0.00 0.00 175.10 174.78 2qri s GLY 26 N 0.60 1.95 -0.04 4.51 0.00 -0.27 0.16 107.32 114.23 2qri s GLY 26 Ca -0.13 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.79 2qri s GLY 26 CO 0.03 -0.64 -0.10 -0.19 0.00 0.00 0.00 173.10 172.21 2qri s TYR 27 N -1.03 1.10 -0.29 1.90 1.51 0.13 -0.83 117.35 119.84 2qri s TYR 27 Ca 0.17 -0.33 -0.06 0.00 -1.01 0.00 0.00 57.07 55.85 2qri s TYR 27 Cb -0.12 -0.82 0.02 0.00 -0.11 0.00 0.00 41.96 40.93 2qri s TYR 27 CO 0.07 -0.17 0.05 0.08 -1.11 0.00 0.00 175.55 174.47 2qri s VAL 28 N 0.45 3.69 -1.34 0.71 1.01 -0.17 -1.29 120.40 123.47 2qri s VAL 28 Ca -0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2qri s VAL 28 Cb -0.12 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 2qri s VAL 28 CO 0.01 0.08 0.51 0.47 0.00 0.00 0.00 175.10 176.17 2qri n ASP 29 N 4.81 -1.48 0.00 3.32 8.00 -0.00 -0.72 116.55 130.48 2qri n ASP 29 Ca -0.15 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.34 2qri n ASP 29 Cb 0.47 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 2qri n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qri n ASP 30 N -2.90 -4.26 -4.42 -2.24 8.00 -1.26 -4.97 116.55 104.50 2qri n ASP 30 Ca -0.26 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.86 2qri n ASP 30 Cb 0.66 -2.28 -0.12 0.00 -0.02 0.00 0.00 41.12 39.36 2qri n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qri s THR 31 N -1.47 4.43 0.15 -3.53 2.01 0.11 -5.06 115.64 112.28 2qri s THR 31 Ca 0.00 -0.42 -0.31 0.00 0.31 0.00 0.00 61.69 61.26 2qri s THR 31 Cb 0.00 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 2qri s THR 31 CO 0.00 0.12 1.54 -0.70 -0.69 0.00 0.00 174.62 174.89 2qri s GLU 32 N 1.59 4.23 0.00 4.92 2.12 -1.26 -1.00 118.70 129.30 2qri s GLU 32 Ca 0.05 2.30 0.00 0.00 0.36 0.00 0.00 54.97 57.68 2qri s GLU 32 Cb -0.17 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.01 2qri s GLU 32 CO 0.05 -0.58 0.00 1.97 -0.54 0.00 0.00 175.26 176.16 2qri n PHE 33 N 4.10 0.00 -3.85 5.30 -1.74 -0.01 -4.40 117.46 116.87 2qri n PHE 33 Ca 0.14 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.92 2qri n PHE 33 Cb 0.39 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.31 2qri n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2qri s VAL 34 N -1.11 0.10 -0.21 1.97 -7.23 -1.23 0.15 120.40 112.84 2qri s VAL 34 Ca 0.00 -0.85 -0.16 0.00 -1.81 0.00 0.00 61.98 59.16 2qri s VAL 34 Cb 0.00 -0.82 0.06 0.00 0.56 0.00 0.00 36.38 36.18 2qri s VAL 34 CO 0.00 -0.47 0.54 -0.60 -0.31 0.00 0.00 175.10 174.26 2qri s ARG 35 N -2.32 0.59 -0.09 4.82 3.52 -0.64 -1.12 118.95 123.72 2qri s ARG 35 Ca -0.07 0.86 0.02 0.00 -0.13 0.00 0.00 55.73 56.42 2qri s ARG 35 Cb -0.02 0.20 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 2qri s ARG 35 CO -0.03 -0.11 -0.16 0.12 -0.81 0.00 0.00 175.30 174.31 2qri s PHE 36 N 0.83 1.93 -0.11 5.12 2.19 0.07 -0.40 117.98 127.61 2qri s PHE 36 Ca -0.04 -0.83 -0.01 0.00 0.33 0.00 0.00 56.93 56.37 2qri s PHE 36 Cb -0.05 -1.37 0.03 0.00 -1.31 0.00 0.00 43.02 40.32 2qri s PHE 36 CO -0.07 -0.41 -0.02 0.34 1.83 0.00 0.00 175.22 176.90 2qri s ASP 37 N 0.77 2.02 0.58 6.13 -1.08 -1.26 -1.15 116.67 122.67 2qri s ASP 37 Ca -0.11 -0.28 0.34 0.00 -0.52 0.00 0.00 52.55 51.97 2qri s ASP 37 Cb -0.16 -0.60 1.75 0.00 -1.46 0.00 0.00 42.92 42.45 2qri s ASP 37 CO 0.02 -0.19 2.16 0.77 0.52 0.00 0.00 175.17 178.45 2qri h SER 38 N 8.26 0.00 0.00 -0.34 4.64 -1.22 -2.32 113.55 122.57 2qri h SER 38 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2qri h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2qri h SER 38 CO 0.32 0.05 0.00 0.47 -0.87 0.00 0.00 176.83 176.80 2qri n ASP 39 N -3.38 0.00 -4.82 4.97 9.92 -1.26 -4.62 116.55 117.35 2qri n ASP 39 Ca -0.02 -1.01 -0.31 0.00 -0.53 0.00 0.00 54.79 52.93 2qri n ASP 39 Cb 0.19 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.71 2qri n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qri s ALA 40 N -2.00 2.74 0.28 2.24 0.00 -0.88 -4.94 121.76 119.21 2qri s ALA 40 Ca 0.40 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2qri s ALA 40 Cb 0.18 -3.17 0.63 0.00 0.00 0.00 0.00 23.12 20.76 2qri s ALA 40 CO 0.31 -1.12 1.78 0.93 0.00 0.00 0.00 175.76 177.66 2qri h GLU 41 N -0.55 0.71 -2.74 0.00 5.08 -1.90 -3.31 114.58 111.88 2qri h GLU 41 Ca -0.44 -0.04 -0.47 0.00 -1.00 0.00 0.00 59.36 57.40 2qri h GLU 41 Cb 1.21 -0.16 -0.39 0.00 0.50 0.00 0.00 28.75 29.91 2qri h GLU 41 CO 0.57 0.47 -0.74 1.21 -1.00 0.00 0.00 179.01 179.52 2qri s ASN 42 N -5.45 2.87 0.23 1.42 3.04 -1.26 -5.12 114.94 110.66 2qri s ASN 42 Ca -0.12 -0.99 -0.32 0.00 0.04 0.00 0.00 52.86 51.48 2qri s ASN 42 Cb 0.23 -0.16 -0.12 0.00 -1.54 0.00 0.00 41.25 39.66 2qri s ASN 42 CO 0.79 -0.40 1.67 -0.81 -3.04 0.00 0.00 177.10 175.31 2qri n PRO 43 N 5.27 2.68 -3.65 0.43 -0.04 -1.25 -5.00 135.00 133.44 2qri n PRO 43 Ca -0.06 0.96 -0.15 0.00 -0.04 0.00 0.00 63.50 64.21 2qri n PRO 43 Cb 0.45 -2.78 -0.08 0.00 -0.04 0.00 0.00 33.50 31.05 2qri n PRO 43 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2qri s ARG 44 N 0.63 0.80 0.33 0.54 3.52 -1.26 -5.04 118.95 118.47 2qri s ARG 44 Ca 0.72 0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 56.37 2qri s ARG 44 Cb -0.52 0.38 -0.11 0.00 -1.56 0.00 0.00 34.95 33.14 2qri s ARG 44 CO 0.38 -0.20 1.44 0.71 -0.81 0.00 0.00 175.30 176.82 2qri s TYR 45 N -0.66 2.82 0.03 5.12 1.51 -1.26 -4.53 117.35 120.38 2qri s TYR 45 Ca -0.08 1.16 0.05 0.00 -1.01 0.00 0.00 57.07 57.20 2qri s TYR 45 Cb -0.03 -3.89 -0.02 0.00 -0.11 0.00 0.00 41.96 37.91 2qri s TYR 45 CO 0.05 -2.69 -0.15 -1.83 -1.11 0.00 0.00 175.55 169.82 2qri s GLU 46 N -1.47 1.05 0.36 -0.62 -1.05 0.46 -4.96 118.70 112.47 2qri s GLU 46 Ca 0.54 -0.73 -0.26 0.00 -0.15 0.00 0.00 54.97 54.37 2qri s GLU 46 Cb -0.44 -1.06 -0.09 0.00 -0.44 0.00 0.00 34.13 32.10 2qri s GLU 46 CO 0.54 0.27 1.12 -1.25 0.95 0.00 0.00 175.26 176.89 2qri s PRO 47 N -0.97 4.29 0.00 -4.83 0.04 -1.26 -1.62 135.00 130.65 2qri s PRO 47 Ca 0.03 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2qri s PRO 47 Cb -0.07 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2qri s PRO 47 CO 0.01 -0.09 0.50 0.54 0.04 0.00 0.00 177.00 178.00 2qri n ARG 48 N 0.44 -0.86 -4.30 4.56 5.12 0.12 -4.87 116.66 116.87 2qri n ARG 48 Ca 0.02 -0.50 -0.18 0.00 -1.93 0.00 0.00 57.85 55.26 2qri n ARG 48 Cb 0.47 -1.00 -0.14 0.00 -1.16 0.00 0.00 32.46 30.63 2qri n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qri s ALA 49 N -0.03 0.75 0.40 7.54 0.00 -1.23 -4.76 121.76 124.42 2qri s ALA 49 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.56 2qri s ALA 49 Cb 0.00 -0.15 0.85 0.00 0.00 0.00 0.00 23.12 23.82 2qri s ALA 49 CO 0.00 0.15 2.01 -0.09 0.00 0.00 0.00 175.76 177.83 2qri h ARG 50 N 5.61 0.58 0.00 0.00 9.65 -1.94 -2.33 114.38 125.95 2qri h ARG 50 Ca -0.32 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 2qri h ARG 50 Cb 1.18 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2qri h ARG 50 CO 0.48 0.39 0.00 -2.67 2.80 0.00 0.00 179.97 180.96 2qri n TRP 51 N -4.47 0.00 1.13 2.20 4.27 -1.26 -1.36 117.44 117.94 2qri n TRP 51 Ca 0.07 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.81 2qri n TRP 51 Cb 0.18 -0.43 0.36 0.00 -1.36 0.00 0.00 31.31 30.06 2qri n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 2qri n MET 52 N -1.43 0.36 0.23 -2.67 2.81 -0.87 -3.82 117.12 111.72 2qri n MET 52 Ca 0.03 -0.19 0.16 0.00 -1.81 0.00 0.00 57.70 55.89 2qri n MET 52 Cb 0.10 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 31.86 2qri n MET 52 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2qri h GLU 53 N 0.47 0.00 -0.39 0.03 5.08 -1.37 -2.54 114.58 115.86 2qri h GLU 53 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2qri h GLU 53 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2qri h GLU 53 CO 0.00 0.00 -0.07 1.96 -1.00 0.00 0.00 179.01 179.90 2qri h GLN 54 N 0.00 0.66 -6.67 2.33 4.20 -1.78 -3.43 115.11 110.41 2qri h GLN 54 Ca 0.00 -0.19 -0.53 0.00 0.06 0.00 0.00 58.65 58.00 2qri h GLN 54 Cb 0.22 -0.07 0.06 0.00 0.30 0.00 0.00 27.48 27.99 2qri h GLN 54 CO 0.00 0.72 0.98 0.39 -0.67 0.00 0.00 178.83 180.25 2qri n GLU 55 N -4.20 2.74 -1.92 1.46 -0.58 -0.96 -4.98 120.64 112.19 2qri n GLU 55 Ca 0.01 0.99 -0.29 0.00 -0.42 0.00 0.00 57.16 57.45 2qri n GLU 55 Cb 0.32 -2.82 0.14 0.00 -0.57 0.00 0.00 31.44 28.51 2qri n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2qri s GLY 56 N 1.04 1.70 0.34 0.62 0.00 -1.26 -4.87 107.32 104.89 2qri s GLY 56 Ca 0.73 -0.96 0.13 0.00 0.00 0.00 0.00 44.72 44.62 2qri s GLY 56 CO 0.35 -0.32 1.73 -0.56 0.00 0.00 0.00 173.10 174.30 2qri h PRO 57 N -1.38 0.49 -0.76 2.90 0.13 -1.97 -1.25 132.00 130.16 2qri h PRO 57 Ca -0.45 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2qri h PRO 57 Cb 1.28 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2qri h PRO 57 CO 0.50 0.32 0.34 0.93 -0.23 0.00 0.00 178.00 179.86 2qri h GLU 58 N 0.50 1.10 0.28 0.86 5.08 -1.99 0.07 114.58 120.48 2qri h GLU 58 Ca 0.65 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.83 2qri h GLU 58 Cb 1.37 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2qri h GLU 58 CO -0.45 0.86 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.37 2qri h TYR 59 N 1.08 -0.34 -0.80 4.33 3.20 -1.58 -1.46 116.97 121.40 2qri h TYR 59 Ca 0.26 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.13 2qri h TYR 59 Cb 0.15 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 2qri h TYR 59 CO 0.01 -0.13 0.53 -1.49 -1.64 0.00 0.00 178.16 175.44 2qri h TRP 60 N -0.49 1.01 0.04 -3.82 4.06 -1.41 -0.56 115.95 114.78 2qri h TRP 60 Ca -0.04 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 2qri h TRP 60 Cb 0.37 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 2qri h TRP 60 CO -0.03 0.64 -0.02 1.49 -3.56 0.00 0.00 178.44 176.96 2qri h GLU 61 N 1.09 -0.05 -0.72 0.49 4.57 -0.92 0.54 114.58 119.58 2qri h GLU 61 Ca 0.29 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 2qri h GLU 61 Cb -0.13 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 2qri h GLU 61 CO -0.06 0.00 0.36 -0.09 -1.18 0.00 0.00 179.01 178.04 2qri h ARG 62 N -0.09 1.03 -0.51 1.92 2.43 -0.99 -1.32 114.38 116.84 2qri h ARG 62 Ca -0.01 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 2qri h ARG 62 Cb 0.08 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2qri h ARG 62 CO 0.01 0.80 0.10 0.93 -1.51 0.00 0.00 179.97 180.30 2qri h GLU 63 N 1.00 0.83 -0.12 0.20 4.39 -0.93 -1.65 114.58 118.31 2qri h GLU 63 Ca 0.25 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2qri h GLU 63 Cb 0.09 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2qri h GLU 63 CO -0.03 0.81 0.08 1.15 -1.16 0.00 0.00 179.01 179.86 2qri h THR 64 N 0.71 1.04 -0.60 1.13 2.02 -0.62 -1.09 112.91 115.50 2qri h THR 64 Ca 0.16 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.20 2qri h THR 64 Cb 0.37 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2qri h THR 64 CO 0.01 0.04 0.14 1.56 0.37 0.00 0.00 175.52 177.64 2qri h GLN 65 N 0.16 0.94 -0.63 6.66 1.08 -1.19 -1.89 115.11 120.23 2qri h GLN 65 Ca 0.05 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 56.98 2qri h GLN 65 Cb -0.01 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 2qri h GLN 65 CO -0.01 0.84 0.14 -0.22 -0.95 0.00 0.00 178.83 178.63 2qri h LYS 66 N 0.90 1.02 -0.59 1.46 3.64 -1.09 -1.86 116.57 120.05 2qri h LYS 66 Ca 0.19 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2qri h LYS 66 Cb 0.33 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2qri h LYS 66 CO -0.00 0.94 0.38 0.00 -2.27 0.00 0.00 179.45 178.50 2qri h ALA 67 N 1.05 0.76 -0.18 5.00 0.00 -0.79 0.97 119.26 126.06 2qri h ALA 67 Ca 0.20 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2qri h ALA 67 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2qri h ALA 67 CO 0.01 0.15 -0.24 0.87 0.00 0.00 0.00 179.25 180.04 2qri h LYS 68 N 0.77 0.33 -0.29 0.00 1.57 -1.17 0.48 116.57 118.26 2qri h LYS 68 Ca 0.23 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 2qri h LYS 68 Cb -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qri h LYS 68 CO -0.07 0.56 -0.26 0.78 -0.57 0.00 0.00 179.45 179.89 2qri h GLY 69 N 0.98 0.75 1.02 3.86 0.00 -0.77 -2.83 103.07 106.08 2qri h GLY 69 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 2qri h GLY 69 CO 0.04 0.68 0.40 3.43 0.00 0.00 0.00 176.54 181.09 2qri h ASN 70 N 0.44 1.00 -0.69 0.19 2.35 -0.14 -2.77 115.58 115.96 2qri h ASN 70 Ca 0.05 -0.12 0.12 0.00 -0.55 0.00 0.00 56.30 55.80 2qri h ASN 70 Cb 0.82 -0.26 -0.09 0.00 0.05 0.00 0.00 38.32 38.85 2qri h ASN 70 CO 0.07 0.83 0.25 -0.08 -1.65 0.00 0.00 177.43 176.85 2qri h GLU 71 N 1.09 0.40 -0.56 0.81 4.81 0.07 -0.93 114.58 120.26 2qri h GLU 71 Ca 0.27 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2qri h GLU 71 Cb 0.08 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2qri h GLU 71 CO -0.04 0.26 0.18 0.37 -0.73 0.00 0.00 179.01 179.06 2qri h GLN 72 N 0.41 0.86 -0.53 1.92 5.75 -1.26 -0.69 115.11 121.57 2qri h GLN 72 Ca 0.37 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 58.74 2qri h GLN 72 Cb 0.52 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.89 2qri h GLN 72 CO -0.37 0.78 0.25 0.77 -2.65 0.00 0.00 178.83 177.61 2qri h SER 73 N 0.78 0.35 0.52 -0.69 0.02 -1.00 -1.55 113.55 111.97 2qri h SER 73 Ca 0.18 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2qri h SER 73 Cb 0.27 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2qri h SER 73 CO -0.01 0.24 -0.55 -0.26 -1.14 0.00 0.00 176.83 175.11 2qri h PHE 74 N 0.49 0.04 -0.69 3.45 -1.00 -0.94 -1.65 116.94 116.64 2qri h PHE 74 Ca 0.24 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.97 2qri h PHE 74 Cb 0.17 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 2qri h PHE 74 CO -0.11 0.58 0.30 -0.09 -1.61 0.00 0.00 178.31 177.38 2qri h ARG 75 N 0.03 1.01 -0.26 1.51 2.43 -0.38 0.81 114.38 119.54 2qri h ARG 75 Ca -0.00 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 58.86 2qri h ARG 75 Cb 0.98 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2qri h ARG 75 CO 0.07 0.82 -0.39 0.28 -1.51 0.00 0.00 179.97 179.25 2qri h VAL 76 N 0.97 1.30 -0.30 0.20 2.07 -1.17 -2.98 116.25 116.34 2qri h VAL 76 Ca 0.23 -1.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 2qri h VAL 76 Cb 0.16 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2qri h VAL 76 CO -0.02 0.50 -0.07 0.44 0.02 0.00 0.00 177.57 178.44 2qri h ASP 77 N 0.45 0.46 -0.34 0.57 3.32 -1.06 -0.63 116.42 119.19 2qri h ASP 77 Ca 0.03 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2qri h ASP 77 Cb 0.98 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2qri h ASP 77 CO 0.09 0.59 0.21 -0.07 -1.72 0.00 0.00 179.24 178.34 2qri h LEU 78 N 0.46 0.41 -0.46 1.55 3.38 -0.75 0.26 115.31 120.15 2qri h LEU 78 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2qri h LEU 78 Cb 0.41 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2qri h LEU 78 CO 0.02 0.32 0.18 -0.09 0.09 0.00 0.00 178.44 178.96 2qri h ARG 79 N 0.45 0.70 -0.21 1.13 2.43 -1.30 -2.43 114.38 115.14 2qri h ARG 79 Ca 0.12 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2qri h ARG 79 Cb -0.01 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2qri h ARG 79 CO -0.02 0.64 0.01 1.15 -1.51 0.00 0.00 179.97 180.23 2qri h THR 80 N 0.60 1.25 0.00 0.20 2.02 -0.87 -2.88 112.91 113.23 2qri h THR 80 Ca 0.15 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 2qri h THR 80 Cb 0.21 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2qri h THR 80 CO -0.01 0.26 -0.13 -0.07 0.37 0.00 0.00 175.52 175.93 2qri h LEU 81 N 0.13 0.00 -1.35 2.58 3.38 -0.95 -0.29 115.31 118.82 2qri h LEU 81 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2qri h LEU 81 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2qri h LEU 81 CO 0.01 0.13 0.28 0.25 0.09 0.00 0.00 178.44 179.21 2qri h LEU 82 N 0.00 0.65 0.06 1.67 7.12 -1.21 -1.64 115.31 121.96 2qri h LEU 82 Ca -0.00 -0.05 -0.16 0.00 0.13 0.00 0.00 57.88 57.80 2qri h LEU 82 Cb 0.41 -0.16 0.02 0.00 -0.53 0.00 0.00 40.66 40.39 2qri h LEU 82 CO 0.02 0.53 -0.67 1.23 -0.13 0.00 0.00 178.44 179.42 2qri h GLY 83 N 0.81 0.39 1.24 3.75 0.00 -1.06 -0.52 103.07 107.67 2qri h GLY 83 Ca 0.19 -0.80 0.09 0.00 0.00 0.00 0.00 47.33 46.81 2qri h GLY 83 CO -0.03 0.70 0.29 -0.97 0.00 0.00 0.00 176.54 176.53 2qri h TYR 84 N -0.26 0.00 -0.49 5.60 -1.99 -0.90 0.95 116.97 119.90 2qri h TYR 84 Ca -0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.63 2qri h TYR 84 Cb 1.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.17 2qri h TYR 84 CO 0.17 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.99 2qri n TYR 85 N -3.96 0.79 -4.16 4.88 4.01 -0.65 -4.85 117.16 113.21 2qri n TYR 85 Ca 0.05 -0.55 -0.33 0.00 -0.16 0.00 0.00 57.90 56.91 2qri n TYR 85 Cb 0.45 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.35 2qri n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2qri n ASN 86 N 0.81 -0.67 -4.89 7.72 3.02 0.33 -4.27 115.26 117.31 2qri n ASN 86 Ca 0.18 -1.21 -0.25 0.00 -0.03 0.00 0.00 54.58 53.27 2qri n ASN 86 Cb 0.59 -2.03 -0.04 0.00 -0.61 0.00 0.00 39.78 37.69 2qri n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2qri s GLN 87 N -7.14 3.22 0.51 3.52 -0.21 -0.22 -0.71 119.66 118.62 2qri s GLN 87 Ca 0.12 -0.74 -0.23 0.00 0.02 0.00 0.00 55.36 54.54 2qri s GLN 87 Cb -0.06 -2.82 -0.06 0.00 1.00 0.00 0.00 33.01 31.06 2qri s GLN 87 CO 0.96 0.49 1.37 0.43 -2.12 0.00 0.00 175.29 176.42 2qri n SER 88 N -0.60 2.84 0.00 5.90 7.64 -1.26 -4.43 113.62 123.70 2qri n SER 88 Ca -0.08 1.03 0.09 0.00 1.01 0.00 0.00 58.87 60.92 2qri n SER 88 Cb 0.55 -1.58 0.44 0.00 -1.01 0.00 0.00 64.21 62.61 2qri n SER 88 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2qri n LYS 89 N -0.68 0.13 -0.22 1.43 5.02 -1.26 -3.36 118.16 119.21 2qri n LYS 89 Ca 0.09 0.14 0.08 0.00 -2.02 0.00 0.00 58.31 56.60 2qri n LYS 89 Cb 0.43 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.14 2qri n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qri n GLY 90 N 0.40 2.47 3.91 0.72 0.00 -1.26 -4.87 105.19 106.56 2qri n GLY 90 Ca 0.07 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 2qri n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qri s GLY 91 N -1.02 1.94 -0.06 -0.02 0.00 -1.21 -4.68 107.32 102.27 2qri s GLY 91 Ca 0.31 -0.63 -0.18 0.00 0.00 0.00 0.00 44.72 44.21 2qri s GLY 91 CO 0.21 -0.55 0.51 -0.45 0.00 0.00 0.00 173.10 172.83 2qri s SER 92 N -2.96 6.81 0.13 1.64 0.15 -1.26 -4.63 113.70 113.58 2qri s SER 92 Ca 0.42 0.96 0.04 0.00 0.70 0.00 0.00 55.95 58.07 2qri s SER 92 Cb -0.11 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2qri s SER 92 CO 0.28 0.09 -0.09 -1.00 1.20 0.00 0.00 173.24 173.72 2qri s HIS 93 N 0.05 1.17 0.02 3.44 3.76 -1.25 -4.94 115.29 117.53 2qri s HIS 93 Ca 0.27 -0.78 0.06 0.00 -0.15 0.00 0.00 55.06 54.46 2qri s HIS 93 Cb -0.16 -0.61 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 2qri s HIS 93 CO 0.13 0.03 -0.19 0.99 -0.85 0.00 0.00 174.74 174.85 2qri s THR 94 N -3.31 1.48 -0.10 1.30 2.01 -1.26 -1.32 115.64 114.44 2qri s THR 94 Ca 0.15 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.20 2qri s THR 94 Cb 0.03 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.27 2qri s THR 94 CO -0.01 0.26 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.33 2qri s ILE 95 N -0.64 1.98 0.10 1.82 1.01 -0.14 -0.07 121.20 125.25 2qri s ILE 95 Ca 0.06 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2qri s ILE 95 Cb -0.08 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 2qri s ILE 95 CO 0.01 0.54 -0.19 -1.10 0.00 0.00 0.00 174.94 174.20 2qri s GLN 96 N 0.39 1.04 0.01 2.79 -0.21 -0.28 -0.92 119.66 122.48 2qri s GLN 96 Ca -0.18 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.09 2qri s GLN 96 Cb -0.18 -1.21 -0.01 0.00 1.00 0.00 0.00 33.01 32.61 2qri s GLN 96 CO 0.08 0.28 -0.02 0.08 -2.12 0.00 0.00 175.29 173.59 2qri s VAL 97 N -1.25 0.07 -0.17 1.09 1.01 -0.35 -0.71 120.40 120.09 2qri s VAL 97 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 2qri s VAL 97 Cb -0.10 -0.15 0.04 0.00 0.00 0.00 0.00 36.38 36.17 2qri s VAL 97 CO 0.04 -0.27 -0.07 -0.63 0.00 0.00 0.00 175.10 174.16 2qri s ILE 98 N -0.80 1.29 -0.04 2.22 1.01 -0.21 -1.06 121.20 123.62 2qri s ILE 98 Ca -0.09 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.87 2qri s ILE 98 Cb -0.05 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.01 2qri s ILE 98 CO -0.01 0.18 -0.11 -0.55 0.00 0.00 0.00 174.94 174.46 2qri s SER 99 N 1.56 1.49 0.00 3.58 0.15 -0.67 -1.09 113.70 118.72 2qri s SER 99 Ca 0.01 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2qri s SER 99 Cb -0.15 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 2qri s SER 99 CO -0.08 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2qri n GLY 100 N 3.48 -1.91 3.12 9.45 0.00 0.27 -0.33 105.19 119.26 2qri n GLY 100 Ca -0.20 -1.22 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 2qri n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qri s GLU 102 N -0.95 3.23 -0.06 0.00 2.12 -0.06 -0.81 118.70 122.17 2qri s GLU 102 Ca 0.02 -0.73 0.04 0.00 0.36 0.00 0.00 54.97 54.66 2qri s GLU 102 Cb -0.07 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 2qri s GLU 102 CO 0.01 -0.05 -0.18 0.08 -0.54 0.00 0.00 175.26 174.58 2qri s VAL 103 N 0.99 2.72 0.89 3.70 1.01 0.21 -0.06 120.40 129.86 2qri s VAL 103 Ca -0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 2qri s VAL 103 Cb -0.15 -2.05 0.13 0.00 0.00 0.00 0.00 36.38 34.31 2qri s VAL 103 CO -0.02 0.57 1.18 -0.83 0.00 0.00 0.00 175.10 175.99 2qri s GLY 104 N -0.42 1.61 0.64 4.51 0.00 -0.51 -0.41 107.32 112.74 2qri s GLY 104 Ca 0.04 -0.67 0.41 0.00 0.00 0.00 0.00 44.72 44.51 2qri s GLY 104 CO 0.02 -0.10 2.30 1.48 0.00 0.00 0.00 173.10 176.80 2qri h SER 105 N -1.38 0.00 -0.06 1.64 4.64 -1.90 -0.17 113.55 116.32 2qri h SER 105 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qri h SER 105 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2qri h SER 105 CO 0.60 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 2qri n ASP 106 N -3.17 0.75 0.00 4.97 5.75 -1.26 -4.89 116.55 118.71 2qri n ASP 106 Ca -0.02 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 2qri n ASP 106 Cb 0.11 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2qri n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qri n GLY 107 N 0.98 0.81 3.83 6.12 0.00 -0.08 -5.03 105.19 111.83 2qri n GLY 107 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2qri n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qri s ARG 108 N -0.07 4.08 0.07 1.61 1.81 -1.26 -4.83 118.95 120.36 2qri s ARG 108 Ca 0.00 0.61 -0.31 0.00 -1.72 0.00 0.00 55.73 54.32 2qri s ARG 108 Cb 0.00 -2.97 -0.08 0.00 -0.45 0.00 0.00 34.95 31.45 2qri s ARG 108 CO 0.00 0.49 1.55 -1.17 -0.68 0.00 0.00 175.30 175.49 2qri s LEU 109 N -1.82 4.35 -0.15 2.53 2.96 -1.26 -1.43 118.68 123.87 2qri s LEU 109 Ca 0.37 2.39 -0.05 0.00 -0.22 0.00 0.00 54.13 56.63 2qri s LEU 109 Cb -0.16 -3.57 -0.24 0.00 0.50 0.00 0.00 46.19 42.72 2qri s LEU 109 CO 0.19 -0.82 0.26 0.18 -1.32 0.00 0.00 176.35 174.85 2qri n LEU 110 N 5.20 2.69 -3.64 -0.68 4.77 0.91 -4.88 117.00 121.37 2qri n LEU 110 Ca 0.15 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 2qri n LEU 110 Cb 0.41 -1.07 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 2qri n LEU 110 CO 0.61 0.87 0.36 -0.60 -1.33 0.00 0.00 177.39 177.30 2qri s ARG 111 N -2.55 0.76 -0.07 3.23 6.06 -1.02 -5.00 118.95 120.37 2qri s ARG 111 Ca -0.25 1.01 0.00 0.00 -2.50 0.00 0.00 55.73 53.99 2qri s ARG 111 Cb 0.07 0.32 -0.03 0.00 0.06 0.00 0.00 34.95 35.37 2qri s ARG 111 CO 0.74 -0.11 -0.04 0.20 -2.50 0.00 0.00 175.30 173.59 2qri s GLY 112 N 0.69 1.75 -0.07 8.12 0.00 -1.26 -0.88 107.32 115.67 2qri s GLY 112 Ca -0.03 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.86 2qri s GLY 112 CO -0.04 -0.64 -0.19 -0.19 0.00 0.00 0.00 173.10 172.03 2qri s TYR 113 N -0.85 2.05 -0.43 1.90 2.02 0.21 -4.88 117.35 117.38 2qri s TYR 113 Ca 0.13 -0.75 0.05 0.00 -0.37 0.00 0.00 57.07 56.13 2qri s TYR 113 Cb -0.11 -1.40 0.17 0.00 -0.40 0.00 0.00 41.96 40.22 2qri s TYR 113 CO 0.02 -0.31 0.50 -1.14 -1.57 0.00 0.00 175.55 173.05 2qri s GLN 114 N 0.33 0.86 -0.07 -0.62 2.00 -1.23 -0.57 119.66 120.37 2qri s GLN 114 Ca -0.13 -1.20 0.05 0.00 -2.00 0.00 0.00 55.36 52.08 2qri s GLN 114 Cb -0.16 -0.63 -0.01 0.00 0.80 0.00 0.00 33.01 33.01 2qri s GLN 114 CO 0.06 -1.29 -0.23 -0.65 -0.50 0.00 0.00 175.29 172.68 2qri s GLN 115 N 0.94 2.65 0.11 1.67 -0.21 -0.25 -1.26 119.66 123.31 2qri s GLN 115 Ca 0.25 -0.87 0.10 0.00 0.02 0.00 0.00 55.36 54.86 2qri s GLN 115 Cb -0.05 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 2qri s GLN 115 CO -0.08 0.37 -0.25 0.71 -2.12 0.00 0.00 175.29 173.93 2qri s TYR 116 N -0.13 2.10 0.03 0.91 1.51 0.56 -1.04 117.35 121.29 2qri s TYR 116 Ca -0.04 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 2qri s TYR 116 Cb -0.14 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 2qri s TYR 116 CO 0.04 0.26 -0.06 0.00 -1.11 0.00 0.00 175.55 174.68 2qri s ALA 117 N -1.05 0.46 -0.13 3.71 0.00 0.12 -0.16 121.76 124.70 2qri s ALA 117 Ca 0.11 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2qri s ALA 117 Cb -0.10 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2qri s ALA 117 CO 0.05 -0.00 -0.20 -0.47 0.00 0.00 0.00 175.76 175.14 2qri s TYR 118 N -1.01 2.44 -1.41 0.00 5.04 -0.28 -1.12 117.35 121.01 2qri s TYR 118 Ca -0.07 -1.22 -0.10 0.00 -2.44 0.00 0.00 57.07 53.24 2qri s TYR 118 Cb -0.08 -1.69 0.06 0.00 0.35 0.00 0.00 41.96 40.61 2qri s TYR 118 CO 0.00 -0.58 0.63 -0.25 -1.34 0.00 0.00 175.55 174.01 2qri n ASP 119 N 4.16 -4.47 0.00 4.32 8.00 0.90 -2.03 116.55 127.42 2qri n ASP 119 Ca -0.20 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.83 2qri n ASP 119 Cb 0.51 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 2qri n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qri n GLY 120 N -1.37 0.53 3.27 0.44 0.00 -1.26 -4.86 105.19 101.93 2qri n GLY 120 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2qri n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qri n ASP 122 N 2.06 1.33 0.02 0.00 8.00 -1.26 -1.13 116.55 125.57 2qri n ASP 122 Ca -0.16 1.17 -0.01 0.00 0.71 0.00 0.00 54.79 56.49 2qri n ASP 122 Cb 0.53 -1.27 -0.00 0.00 -0.02 0.00 0.00 41.12 40.35 2qri n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qri n TYR 123 N 0.55 0.00 -3.68 1.24 9.36 0.77 -4.63 117.16 120.76 2qri n TYR 123 Ca 0.11 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.20 2qri n TYR 123 Cb 0.30 -0.06 -0.07 0.00 -0.63 0.00 0.00 39.34 38.88 2qri n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2qri s ILE 124 N -1.79 0.05 -0.07 2.97 2.07 -1.17 -0.64 121.20 122.62 2qri s ILE 124 Ca -0.04 -0.43 -0.19 0.00 -1.41 0.00 0.00 60.65 58.58 2qri s ILE 124 Cb 0.00 -0.86 0.04 0.00 0.13 0.00 0.00 42.46 41.78 2qri s ILE 124 CO 0.05 -0.24 0.45 0.00 -1.91 0.00 0.00 174.94 173.29 2qri s ALA 125 N -2.01 -1.13 0.10 1.50 0.00 -0.69 -0.32 121.76 119.21 2qri s ALA 125 Ca -0.08 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2qri s ALA 125 Cb -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 2qri s ALA 125 CO 0.01 -0.27 1.03 -1.17 0.00 0.00 0.00 175.76 175.35 2qri s LEU 126 N -0.80 4.45 0.68 0.00 2.96 -0.39 -1.06 118.68 124.53 2qri s LEU 126 Ca -0.09 1.86 -0.11 0.00 -0.22 0.00 0.00 54.13 55.58 2qri s LEU 126 Cb -0.03 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 2qri s LEU 126 CO 0.04 -0.20 1.06 0.20 -1.32 0.00 0.00 176.35 176.13 2qri s ASN 127 N 0.32 5.55 0.58 3.68 0.01 0.37 -4.70 114.94 120.76 2qri s ASN 127 Ca 0.50 1.52 0.29 0.00 -0.71 0.00 0.00 52.86 54.46 2qri s ASN 127 Cb -0.25 -2.43 1.44 0.00 0.41 0.00 0.00 41.25 40.41 2qri s ASN 127 CO 0.31 -1.32 1.84 -0.33 -1.51 0.00 0.00 177.10 176.09 2qri h GLU 128 N -0.63 0.00 0.00 -0.60 5.08 -1.90 0.31 114.58 116.85 2qri h GLU 128 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2qri h GLU 128 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qri h GLU 128 CO 0.59 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.20 2qri n ASP 129 N -3.78 0.04 -2.03 1.42 5.68 -1.26 -4.86 116.55 111.77 2qri n ASP 129 Ca 0.12 0.51 -0.21 0.00 -0.50 0.00 0.00 54.79 54.71 2qri n ASP 129 Cb 0.82 -0.52 -0.05 0.00 -1.14 0.00 0.00 41.12 40.23 2qri n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qri n LEU 130 N -1.55 -1.74 0.00 -2.12 4.77 0.11 -4.78 117.00 111.70 2qri n LEU 130 Ca 0.04 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2qri n LEU 130 Cb 0.19 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.37 2qri n LEU 130 CO 0.15 -0.63 -0.17 0.29 -1.33 0.00 0.00 177.39 175.70 2qri n LYS 131 N -2.72 2.08 -4.40 3.23 5.02 -1.26 -4.61 118.16 115.51 2qri n LYS 131 Ca -0.23 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.86 2qri n LYS 131 Cb 0.69 -0.67 -0.10 0.00 -0.02 0.00 0.00 35.03 34.92 2qri n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qri s THR 132 N -1.17 1.87 0.11 -0.18 -4.23 -1.26 -4.82 115.64 105.95 2qri s THR 132 Ca 0.00 -2.23 0.06 0.00 -1.18 0.00 0.00 61.69 58.35 2qri s THR 132 Cb 0.00 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 2qri s THR 132 CO 0.00 -0.47 -0.07 0.26 -0.54 0.00 0.00 174.62 173.80 2qri s TRP 133 N -2.88 2.82 -0.27 3.99 0.52 -1.26 -0.48 118.94 121.37 2qri s TRP 133 Ca 0.26 -0.12 -0.03 0.00 0.02 0.00 0.00 56.10 56.23 2qri s TRP 133 Cb -0.00 -1.46 0.03 0.00 -1.15 0.00 0.00 33.47 30.89 2qri s TRP 133 CO 0.10 0.45 -0.02 0.99 0.02 0.00 0.00 176.95 178.49 2qri s THR 134 N -1.28 3.11 -0.18 2.01 2.01 -0.22 -4.91 115.64 116.18 2qri s THR 134 Ca 0.23 -1.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 2qri s THR 134 Cb -0.11 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 2qri s THR 134 CO 0.15 0.11 0.14 0.00 -0.69 0.00 0.00 174.62 174.33 2qri s ALA 135 N 1.35 3.72 -0.58 7.40 0.00 -1.26 -1.70 121.76 130.69 2qri s ALA 135 Ca -0.00 -0.67 0.24 0.00 0.00 0.00 0.00 51.96 51.53 2qri s ALA 135 Cb -0.17 -2.14 0.45 0.00 0.00 0.00 0.00 23.12 21.26 2qri s ALA 135 CO -0.02 0.25 1.48 0.00 0.00 0.00 0.00 175.76 177.47 2qri h ALA 136 N 6.33 0.78 -2.98 0.00 0.00 -1.14 -3.48 119.26 118.76 2qri h ALA 136 Ca -0.44 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2qri h ALA 136 Cb 1.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2qri h ALA 136 CO 0.72 0.00 0.05 -0.40 0.00 0.00 0.00 179.25 179.63 2qri n ASP 137 N -2.40 -1.14 0.14 0.00 5.68 -1.26 -5.04 116.55 112.53 2qri n ASP 137 Ca 0.04 -2.05 -0.00 0.00 -0.50 0.00 0.00 54.79 52.28 2qri n ASP 137 Cb 0.47 1.97 0.17 0.00 -1.14 0.00 0.00 41.12 42.59 2qri n ASP 137 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qri h MET 138 N 0.00 0.00 -0.31 0.11 -0.00 -1.98 -2.83 114.93 109.91 2qri h MET 138 Ca -0.19 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.54 2qri h MET 138 Cb 0.74 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.31 2qri h MET 138 CO 0.24 0.60 0.13 0.00 -0.00 0.00 0.00 176.91 177.88 2qri h ALA 139 N 1.40 0.37 0.00 -3.00 0.00 -1.97 -1.37 119.26 114.69 2qri h ALA 139 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qri h ALA 139 Cb 1.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qri h ALA 139 CO 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.04 2qri h ALA 140 N 1.18 1.06 0.00 0.00 0.00 -1.80 -2.13 119.26 117.57 2qri h ALA 140 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2qri h ALA 140 Cb 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qri h ALA 140 CO -0.12 0.03 -0.43 -0.07 0.00 0.00 0.00 179.25 178.67 2qri h LEU 141 N 0.00 0.00 -0.28 0.00 3.38 -1.02 0.99 115.31 118.39 2qri h LEU 141 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2qri h LEU 141 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2qri h LEU 141 CO 0.00 0.43 0.05 0.40 0.09 0.00 0.00 178.44 179.41 2qri h ILE 142 N 0.00 1.23 -0.43 1.22 1.08 -1.32 0.34 117.51 119.63 2qri h ILE 142 Ca -0.00 -0.77 -0.04 0.00 -0.39 0.00 0.00 64.86 63.66 2qri h ILE 142 Cb 0.78 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 2qri h ILE 142 CO 0.06 0.25 0.12 0.74 -0.69 0.00 0.00 178.15 178.62 2qri h THR 143 N 0.27 1.23 -0.09 -0.27 2.02 -1.49 -1.40 112.91 113.18 2qri h THR 143 Ca 0.08 -0.78 0.03 0.00 0.77 0.00 0.00 66.41 66.52 2qri h THR 143 Cb 0.32 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2qri h THR 143 CO 0.00 0.28 -0.12 0.50 0.37 0.00 0.00 175.52 176.55 2qri h LYS 144 N 0.56 -0.15 -0.39 6.66 3.64 -0.60 0.23 116.57 126.52 2qri h LYS 144 Ca 0.14 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2qri h LYS 144 Cb 0.30 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2qri h LYS 144 CO -0.00 -0.10 0.19 1.25 -2.27 0.00 0.00 179.45 178.52 2qri h HIS 145 N -0.16 0.35 -0.56 1.91 2.76 -0.82 -0.63 115.15 118.01 2qri h HIS 145 Ca 0.08 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 2qri h HIS 145 Cb 0.27 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 2qri h HIS 145 CO -0.23 0.18 0.29 -0.22 -1.30 0.00 0.00 177.93 176.65 2qri h LYS 146 N 0.39 0.53 -0.03 5.26 3.64 -0.52 -2.25 116.57 123.59 2qri h LYS 146 Ca 0.17 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 2qri h LYS 146 Cb 0.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2qri h LYS 146 CO -0.12 0.35 -0.50 -1.49 -2.27 0.00 0.00 179.45 175.42 2qri h TRP 147 N 0.55 0.11 -0.40 1.91 6.55 -0.03 -2.50 115.95 122.13 2qri h TRP 147 Ca 0.25 -0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.95 2qri h TRP 147 Cb 0.16 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 2qri h TRP 147 CO -0.10 0.58 -0.16 0.93 -1.05 0.00 0.00 178.44 178.64 2qri h GLU 148 N 0.07 0.81 -0.39 0.49 5.08 -0.78 -0.07 114.58 119.79 2qri h GLU 148 Ca -0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 2qri h GLU 148 Cb 0.92 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2qri h GLU 148 CO 0.07 0.97 -0.09 1.96 -1.00 0.00 0.00 179.01 180.92 2qri h GLN 149 N 0.62 0.68 -0.00 2.33 1.08 -1.31 -2.82 115.11 115.69 2qri h GLN 149 Ca 0.09 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2qri h GLN 149 Cb 0.70 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2qri h GLN 149 CO 0.05 0.76 -0.21 0.00 -0.95 0.00 0.00 178.83 178.48 2qri n ALA 150 N -2.48 2.91 -2.66 3.87 0.00 -0.95 -4.94 120.51 116.26 2qri n ALA 150 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 2qri n ALA 150 Cb 0.33 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.52 2qri n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qri n GLY 151 N 1.39 0.12 0.34 0.00 0.00 -0.31 -4.93 105.19 101.79 2qri n GLY 151 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 2qri n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qri h GLU 152 N -0.73 1.03 -1.00 1.61 4.57 -1.36 -2.58 114.58 116.12 2qri h GLU 152 Ca -0.25 -0.14 0.08 0.00 -1.18 0.00 0.00 59.36 57.86 2qri h GLU 152 Cb 1.17 -0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 29.50 2qri h GLU 152 CO 0.27 0.80 0.64 0.00 -1.18 0.00 0.00 179.01 179.54 2qri h ALA 153 N 1.35 1.42 -0.45 2.92 0.00 -1.88 -0.67 119.26 121.95 2qri h ALA 153 Ca 0.25 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2qri h ALA 153 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qri h ALA 153 CO -0.03 0.40 -0.22 0.93 0.00 0.00 0.00 179.25 180.33 2qri h GLU 154 N 1.14 0.91 -0.55 0.00 3.07 -1.73 0.07 114.58 117.49 2qri h GLU 154 Ca 0.45 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 2qri h GLU 154 Cb 0.23 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 2qri h GLU 154 CO -0.19 1.03 0.29 -0.09 -1.40 0.00 0.00 179.01 178.65 2qri h ARG 155 N 0.79 0.78 -0.33 2.33 2.43 -1.11 -1.97 114.38 117.29 2qri h ARG 155 Ca 0.11 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2qri h ARG 155 Cb 0.77 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2qri h ARG 155 CO 0.06 0.61 -0.40 -0.07 -1.51 0.00 0.00 179.97 178.67 2qri h LEU 156 N 0.75 0.87 -0.53 3.80 3.38 -0.98 -2.16 115.31 120.44 2qri h LEU 156 Ca 0.19 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.80 2qri h LEU 156 Cb 0.07 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2qri h LEU 156 CO -0.03 1.16 0.30 -0.09 0.09 0.00 0.00 178.44 179.87 2qri h ARG 157 N 0.66 0.57 -0.62 1.13 2.43 -0.76 0.61 114.38 118.40 2qri h ARG 157 Ca 0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2qri h ARG 157 Cb 0.97 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 2qri h ARG 157 CO 0.09 0.38 0.30 0.00 -1.51 0.00 0.00 179.97 179.23 2qri h ALA 158 N 1.25 0.80 -0.14 2.80 0.00 -1.26 0.09 119.26 122.80 2qri h ALA 158 Ca 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qri h ALA 158 Cb 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2qri h ALA 158 CO -0.12 0.35 -0.02 -0.92 0.00 0.00 0.00 179.25 178.54 2qri h TYR 159 N 0.85 0.30 -0.80 0.00 3.20 -0.71 -1.62 116.97 118.18 2qri h TYR 159 Ca 0.21 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2qri h TYR 159 Cb 0.11 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 2qri h TYR 159 CO -0.00 0.53 0.40 -0.07 -1.64 0.00 0.00 178.16 177.38 2qri h LEU 160 N -0.02 1.04 0.00 2.82 3.38 0.38 0.12 115.31 123.03 2qri h LEU 160 Ca 0.04 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2qri h LEU 160 Cb 0.43 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2qri h LEU 160 CO 0.01 0.87 -0.70 -0.33 0.09 0.00 0.00 178.44 178.38 2qri h GLU 161 N 1.13 0.00 0.00 1.13 5.08 -1.03 -3.36 114.58 117.54 2qri h GLU 161 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2qri h GLU 161 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2qri h GLU 161 CO -0.04 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 2qri n GLY 162 N 1.22 0.09 0.28 -3.84 0.00 -0.61 -4.64 105.19 97.69 2qri n GLY 162 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qri n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qri h THR 163 N 0.00 0.26 -0.40 2.61 2.02 -1.60 -1.05 112.91 114.76 2qri h THR 163 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qri h THR 163 Cb 0.00 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2qri h THR 163 CO 0.00 0.00 0.25 0.00 0.37 0.00 0.00 175.52 176.14 2qri h VAL 165 N 0.53 1.24 -0.39 0.00 2.07 -1.54 -1.17 116.25 117.00 2qri h VAL 165 Ca 0.14 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2qri h VAL 165 Cb -0.03 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2qri h VAL 165 CO -0.03 0.31 0.25 -0.33 0.02 0.00 0.00 177.57 177.79 2qri h GLU 166 N 0.84 0.51 -0.55 1.57 5.08 -1.05 -1.86 114.58 119.12 2qri h GLU 166 Ca 0.19 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2qri h GLU 166 Cb 0.29 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2qri h GLU 166 CO -0.01 0.35 -0.01 -1.49 -1.00 0.00 0.00 179.01 176.86 2qri h TRP 167 N 0.52 1.06 -0.98 4.33 4.06 -1.17 -2.31 115.95 121.46 2qri h TRP 167 Ca 0.14 -0.19 0.06 0.00 2.06 0.00 0.00 58.89 60.96 2qri h TRP 167 Cb -0.04 -0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 27.78 2qri h TRP 167 CO -0.05 0.97 0.64 1.25 -3.56 0.00 0.00 178.44 177.69 2qri h LEU 168 N 0.85 1.02 -0.51 -4.49 5.85 -0.92 0.31 115.31 117.42 2qri h LEU 168 Ca 0.15 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2qri h LEU 168 Cb 0.55 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2qri h LEU 168 CO 0.03 0.66 0.09 -0.09 -0.34 0.00 0.00 178.44 178.80 2qri h ARG 169 N 1.16 0.83 -0.55 1.25 2.43 -1.12 -0.68 114.38 117.71 2qri h ARG 169 Ca 0.42 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2qri h ARG 169 Cb 0.14 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2qri h ARG 169 CO -0.16 0.82 0.09 -0.09 -1.51 0.00 0.00 179.97 179.12 2qri h ARG 170 N 0.71 0.86 -0.02 0.20 2.43 -0.78 -0.76 114.38 117.03 2qri h ARG 170 Ca 0.16 -0.20 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 2qri h ARG 170 Cb 0.38 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2qri h ARG 170 CO 0.01 0.80 -0.80 1.88 -1.51 0.00 0.00 179.97 180.35 2qri h TYR 171 N 0.82 0.35 -0.37 2.20 0.05 -0.78 -2.65 116.97 116.59 2qri h TYR 171 Ca 0.17 -0.18 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 2qri h TYR 171 Cb 0.36 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 2qri h TYR 171 CO 0.02 0.95 -0.29 -0.07 -1.05 0.00 0.00 178.16 177.72 2qri h LEU 172 N 0.15 0.81 0.73 3.88 3.38 -0.86 -0.42 115.31 122.97 2qri h LEU 172 Ca -0.04 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2qri h LEU 172 Cb 1.40 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2qri h LEU 172 CO 0.13 1.05 -0.41 0.50 0.09 0.00 0.00 178.44 179.79 2qri h LYS 173 N 0.66 -1.02 -0.71 1.13 3.64 -1.06 0.99 116.57 120.20 2qri h LYS 173 Ca 0.08 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 2qri h LYS 173 Cb 0.82 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 2qri h LYS 173 CO 0.07 -0.68 0.47 -0.91 -2.27 0.00 0.00 179.45 176.13 2qri h ASN 174 N -1.06 0.57 -0.43 4.20 -0.26 -1.46 -2.09 115.58 115.05 2qri h ASN 174 Ca -0.10 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2qri h ASN 174 Cb 0.83 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 2qri h ASN 174 CO 0.12 0.35 0.00 0.61 -1.06 0.00 0.00 177.43 177.45 2qri n GLY 175 N -1.47 1.45 0.00 2.83 0.00 -0.17 -4.73 105.19 103.10 2qri n GLY 175 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2qri n GLY 175 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qri n ASN 176 N 1.14 0.00 0.26 1.61 4.05 0.33 -0.05 115.26 122.60 2qri n ASN 176 Ca 0.19 0.67 0.13 0.00 0.45 0.00 0.00 54.58 56.01 2qri n ASN 176 Cb 0.50 -0.27 0.68 0.00 1.23 0.00 0.00 39.78 41.92 2qri n ASN 176 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qri h ALA 177 N -1.03 1.22 0.00 5.20 0.00 -1.85 -3.03 119.26 119.78 2qri h ALA 177 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 2qri h ALA 177 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2qri h ALA 177 CO 0.00 -0.22 -2.36 2.41 0.00 0.00 0.00 179.25 179.08 2qri n THR 178 N -2.57 1.37 0.09 0.00 -1.04 -0.37 -4.75 114.28 107.01 2qri n THR 178 Ca -0.02 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 61.52 2qri n THR 178 Cb 0.29 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 66.89 2qri n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qri h LEU 179 N -0.89 -1.10 -1.75 -4.42 3.38 -0.33 -3.21 115.31 106.98 2qri h LEU 179 Ca -0.62 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2qri h LEU 179 Cb 1.54 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 2qri h LEU 179 CO -0.38 -0.44 0.12 -0.07 0.09 0.00 0.00 178.44 177.77 2qri h LEU 180 N -0.57 0.25 -7.98 1.67 3.38 -1.82 -3.46 115.31 106.79 2qri h LEU 180 Ca 0.04 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.46 2qri h LEU 180 Cb 0.62 -0.06 0.15 0.00 0.09 0.00 0.00 40.66 41.46 2qri h LEU 180 CO -0.25 0.20 -0.97 -1.14 0.09 0.00 0.00 178.44 176.37 2qri n ARG 181 N -4.48 0.00 -4.00 1.13 3.00 -1.22 -5.04 116.66 106.06 2qri n ARG 181 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 2qri n ARG 181 Cb 0.09 -0.89 -0.11 0.00 0.00 0.00 0.00 32.46 31.56 2qri n ARG 181 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2qri s THR 182 N -1.69 0.13 -0.17 5.15 -4.23 -1.26 -4.62 115.64 108.94 2qri s THR 182 Ca 0.51 -1.04 -0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2qri s THR 182 Cb -0.48 -0.44 0.04 0.00 1.34 0.00 0.00 72.50 72.96 2qri s THR 182 CO 0.58 -0.57 -0.07 -1.81 -0.54 0.00 0.00 174.62 172.21 2qri s ASP 183 N -1.67 2.99 0.55 3.99 1.11 0.44 -4.93 116.67 119.14 2qri s ASP 183 Ca -0.13 -0.72 -0.19 0.00 0.18 0.00 0.00 52.55 51.69 2qri s ASP 183 Cb -0.07 -1.00 -0.06 0.00 1.07 0.00 0.00 42.92 42.86 2qri s ASP 183 CO -0.02 -0.17 1.11 -0.94 1.18 0.00 0.00 175.17 176.33 2qri s SER 184 N 1.57 5.75 0.30 0.27 1.04 -1.26 -0.64 113.70 120.73 2qri s SER 184 Ca 0.00 2.11 -0.29 0.00 0.48 0.00 0.00 55.95 58.26 2qri s SER 184 Cb -0.15 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.29 2qri s SER 184 CO -0.08 -1.19 1.17 -2.16 0.98 0.00 0.00 173.24 171.96 2qri s PRO 185 N -3.38 4.53 -0.24 4.02 0.04 -1.26 -4.47 135.00 134.24 2qri s PRO 185 Ca 0.71 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 63.57 2qri s PRO 185 Cb -0.22 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2qri s PRO 185 CO 0.28 0.07 0.27 0.15 0.04 0.00 0.00 177.00 177.80 2qri s LYS 186 N -1.59 4.07 0.28 4.56 1.02 -0.56 -4.87 119.74 122.66 2qri s LYS 186 Ca 0.46 -0.09 0.10 0.00 0.02 0.00 0.00 55.97 56.46 2qri s LYS 186 Cb -0.35 -3.58 -0.05 0.00 -0.52 0.00 0.00 37.83 33.33 2qri s LYS 186 CO 0.45 -0.07 -0.15 0.00 -0.92 0.00 0.00 175.35 174.66 2qri s ALA 187 N 1.42 2.63 0.06 5.17 0.00 -1.26 -0.55 121.76 129.23 2qri s ALA 187 Ca 0.12 -1.90 -0.28 0.00 0.00 0.00 0.00 51.96 49.91 2qri s ALA 187 Cb -0.15 -0.13 0.09 0.00 0.00 0.00 0.00 23.12 22.93 2qri s ALA 187 CO 0.07 0.16 0.97 -3.38 0.00 0.00 0.00 175.76 173.59 2qri s HIS 188 N -2.67 -0.21 -0.06 0.00 -3.43 -0.97 -5.00 115.29 102.96 2qri s HIS 188 Ca 0.29 0.00 0.04 0.00 -0.80 0.00 0.00 55.06 54.60 2qri s HIS 188 Cb -0.02 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.70 2qri s HIS 188 CO 0.14 -0.63 -0.17 0.08 -2.00 0.00 0.00 174.74 172.16 2qri s VAL 189 N -3.10 2.82 0.18 -5.38 1.01 -1.26 -0.75 120.40 113.93 2qri s VAL 189 Ca 0.09 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.37 2qri s VAL 189 Cb -0.01 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2qri s VAL 189 CO -0.03 0.58 -0.14 0.42 0.00 0.00 0.00 175.10 175.93 2qri s THR 190 N -0.53 2.96 -0.10 3.92 -4.23 -0.26 -4.73 115.64 112.67 2qri s THR 190 Ca 0.07 -1.75 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 2qri s THR 190 Cb -0.11 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 2qri s THR 190 CO 0.01 -0.11 -0.20 -2.28 -0.54 0.00 0.00 174.62 171.50 2qri s HIS 191 N -1.69 2.62 0.00 3.99 2.46 -1.26 -0.92 115.29 120.49 2qri s HIS 191 Ca 0.24 -0.83 0.01 0.00 0.47 0.00 0.00 55.06 54.94 2qri s HIS 191 Cb -0.09 -1.73 -0.00 0.00 -0.13 0.00 0.00 32.58 30.63 2qri s HIS 191 CO 0.14 -0.29 -0.02 -1.01 -2.47 0.00 0.00 174.74 171.08 2qri s HIS 192 N 0.20 0.16 0.53 3.88 3.76 -0.15 -4.95 115.29 118.73 2qri s HIS 192 Ca -0.13 -0.06 -0.20 0.00 -0.15 0.00 0.00 55.06 54.52 2qri s HIS 192 Cb -0.16 -0.11 -0.06 0.00 1.11 0.00 0.00 32.58 33.36 2qri s HIS 192 CO 0.07 -0.01 1.16 -1.12 -0.85 0.00 0.00 174.74 173.98 2qri s SER 193 N -0.14 5.76 0.19 1.40 0.01 -1.26 -0.13 113.70 119.53 2qri s SER 193 Ca -0.00 2.26 0.04 0.00 1.31 0.00 0.00 55.95 59.55 2qri s SER 193 Cb -0.01 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2qri s SER 193 CO -0.00 -1.20 -0.05 -0.13 0.41 0.00 0.00 173.24 172.27 2qri s ARG 194 N -3.12 1.22 -0.01 12.44 1.81 -0.83 -4.70 118.95 125.76 2qri s ARG 194 Ca 0.71 -1.58 -0.35 0.00 -1.72 0.00 0.00 55.73 52.79 2qri s ARG 194 Cb -0.26 -0.63 -0.13 0.00 -0.45 0.00 0.00 34.95 33.47 2qri s ARG 194 CO 0.30 -0.02 1.72 -2.30 -0.68 0.00 0.00 175.30 174.33 2qri n PRO 195 N -0.32 1.98 0.00 3.54 -0.02 -1.26 -4.34 135.00 134.58 2qri n PRO 195 Ca -0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2qri n PRO 195 Cb 0.62 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2qri n PRO 195 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qri n GLU 196 N 5.12 0.00 0.00 -0.52 1.02 -1.26 -3.82 120.64 121.18 2qri n GLU 196 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2qri n GLU 196 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 2qri n GLU 196 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2qri n ASP 197 N -3.11 0.00 -4.38 1.62 5.68 -1.26 -4.73 116.55 110.38 2qri n ASP 197 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.06 2qri n ASP 197 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 2qri n ASP 197 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2qri s LYS 198 N 0.41 1.41 0.05 0.11 -0.14 -1.25 -1.76 119.74 118.57 2qri s LYS 198 Ca 0.00 -1.51 -0.03 0.00 -1.36 0.00 0.00 55.97 53.07 2qri s LYS 198 Cb 0.00 -1.51 -0.03 0.00 -1.68 0.00 0.00 37.83 34.61 2qri s LYS 198 CO 0.00 0.30 0.02 0.14 -0.76 0.00 0.00 175.35 175.06 2qri s VAL 199 N -2.12 0.17 -0.15 3.17 -7.23 -0.24 -1.97 120.40 112.04 2qri s VAL 199 Ca 0.20 -1.42 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 2qri s VAL 199 Cb -0.06 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 2qri s VAL 199 CO 0.09 -0.78 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.17 2qri s THR 200 N -3.16 3.90 -0.19 5.32 2.01 0.82 -0.53 115.64 123.81 2qri s THR 200 Ca -0.00 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 2qri s THR 200 Cb 0.02 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2qri s THR 200 CO -0.07 0.50 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.59 2qri s LEU 201 N 0.30 3.29 -0.18 4.42 1.43 -0.54 -0.98 118.68 126.42 2qri s LEU 201 Ca -0.03 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2qri s LEU 201 Cb -0.14 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2qri s LEU 201 CO 0.03 0.10 -0.17 -0.60 0.23 0.00 0.00 176.35 175.93 2qri s ARG 202 N 0.80 3.09 -0.26 1.70 3.52 -0.10 -1.76 118.95 125.94 2qri s ARG 202 Ca 0.00 -0.79 -0.15 0.00 -0.13 0.00 0.00 55.73 54.66 2qri s ARG 202 Cb -0.14 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 2qri s ARG 202 CO 0.02 -0.15 0.39 0.00 -0.81 0.00 0.00 175.30 174.75 2qri s TRP 204 N 2.03 3.28 -0.17 0.00 0.52 0.07 -1.23 118.94 123.44 2qri s TRP 204 Ca 0.16 0.26 0.00 0.00 0.02 0.00 0.00 56.10 56.54 2qri s TRP 204 Cb -0.16 -1.86 0.03 0.00 -1.15 0.00 0.00 33.47 30.34 2qri s TRP 204 CO 0.10 0.50 -0.11 0.00 0.02 0.00 0.00 176.95 177.45 2qri s ALA 205 N -0.78 1.87 0.27 0.98 0.00 -0.07 -2.28 121.76 121.75 2qri s ALA 205 Ca 0.12 -1.03 0.10 0.00 0.00 0.00 0.00 51.96 51.15 2qri s ALA 205 Cb -0.12 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 2qri s ALA 205 CO 0.03 -0.63 -0.14 -0.51 0.00 0.00 0.00 175.76 174.50 2qri s LEU 206 N 1.46 2.59 -1.20 0.00 1.43 0.28 -1.68 118.68 121.57 2qri s LEU 206 Ca 0.02 -1.08 -0.08 0.00 -1.03 0.00 0.00 54.13 51.95 2qri s LEU 206 Cb -0.15 -0.90 0.06 0.00 0.03 0.00 0.00 46.19 45.24 2qri s LEU 206 CO -0.09 -0.12 0.40 0.61 0.23 0.00 0.00 176.35 177.38 2qri n GLY 207 N -0.59 -0.48 3.96 -3.19 0.00 -0.90 -1.50 105.19 102.49 2qri n GLY 207 Ca -0.06 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2qri n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qri s PHE 208 N -2.84 3.40 -0.23 1.61 -0.71 -1.09 -4.73 117.98 113.40 2qri s PHE 208 Ca 0.34 -0.04 -0.15 0.00 -1.04 0.00 0.00 56.93 56.04 2qri s PHE 208 Cb -0.18 -1.57 0.07 0.00 -1.21 0.00 0.00 43.02 40.13 2qri s PHE 208 CO 0.42 0.43 0.57 -0.47 -1.34 0.00 0.00 175.22 174.83 2qri s TYR 209 N -2.00 -0.80 0.81 3.49 6.14 0.19 -0.36 117.35 124.82 2qri s TYR 209 Ca 0.34 1.70 -0.14 0.00 0.64 0.00 0.00 57.07 59.62 2qri s TYR 209 Cb -0.09 0.40 0.20 0.00 0.42 0.00 0.00 41.96 42.90 2qri s TYR 209 CO 0.29 -0.41 0.71 -2.30 0.64 0.00 0.00 175.55 174.48 2qri n PRO 210 N 3.88 -2.49 0.18 4.97 -0.02 -1.26 0.17 135.00 140.42 2qri n PRO 210 Ca -0.19 -1.13 0.04 0.00 -2.02 0.00 0.00 63.50 60.19 2qri n PRO 210 Cb 0.57 -1.08 0.32 0.00 -0.02 0.00 0.00 33.50 33.29 2qri n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qri h ALA 211 N -2.52 1.06 -2.58 3.55 0.00 -1.96 -3.46 119.26 113.36 2qri h ALA 211 Ca -0.27 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 53.72 2qri h ALA 211 Cb 0.82 -0.07 0.06 0.00 0.00 0.00 0.00 17.79 18.60 2qri h ALA 211 CO 0.17 0.53 1.01 -0.25 0.00 0.00 0.00 179.25 180.72 2qri n ASP 212 N -3.69 3.92 -3.51 0.00 8.00 -1.26 -4.97 116.55 115.04 2qri n ASP 212 Ca -0.01 1.05 -0.09 0.00 0.71 0.00 0.00 54.79 56.45 2qri n ASP 212 Cb 0.51 -1.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.03 2qri n ASP 212 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2qri s ILE 213 N 1.45 0.00 -0.03 0.53 2.07 -1.26 -4.55 121.20 119.40 2qri s ILE 213 Ca 0.77 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.03 2qri s ILE 213 Cb -0.52 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.08 2qri s ILE 213 CO 0.34 0.00 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.41 2qri s THR 214 N -2.84 0.66 -0.08 4.00 2.01 -0.26 -5.01 115.64 114.12 2qri s THR 214 Ca 0.04 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.80 2qri s THR 214 Cb -0.01 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 71.89 2qri s THR 214 CO -0.07 0.23 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.16 2qri s LEU 215 N 0.42 1.80 0.04 4.42 1.43 -1.26 -0.61 118.68 124.92 2qri s LEU 215 Ca -0.06 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2qri s LEU 215 Cb -0.10 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 2qri s LEU 215 CO 0.00 0.08 -0.05 0.42 0.23 0.00 0.00 176.35 177.04 2qri s THR 216 N 0.54 0.31 -0.08 5.49 -4.23 -0.01 -4.98 115.64 112.68 2qri s THR 216 Ca -0.16 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2qri s THR 216 Cb -0.16 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 72.93 2qri s THR 216 CO 0.05 -0.59 -0.13 0.26 -0.54 0.00 0.00 174.62 173.67 2qri s TRP 217 N -2.09 2.77 0.07 3.99 0.52 -1.26 0.21 118.94 123.14 2qri s TRP 217 Ca -0.07 -0.27 0.08 0.00 0.02 0.00 0.00 56.10 55.86 2qri s TRP 217 Cb -0.05 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 2qri s TRP 217 CO -0.03 0.09 -0.22 -0.65 0.02 0.00 0.00 176.95 176.16 2qri s GLN 218 N -0.41 1.38 -0.26 4.98 -0.21 0.98 -0.97 119.66 125.16 2qri s GLN 218 Ca 0.05 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.34 2qri s GLN 218 Cb -0.12 -1.59 0.08 0.00 1.00 0.00 0.00 33.01 32.37 2qri s GLN 218 CO 0.02 0.39 0.04 -1.17 -2.12 0.00 0.00 175.29 172.45 2qri s LEU 219 N -1.49 2.12 -0.54 2.90 2.96 -0.33 -1.21 118.68 123.08 2qri s LEU 219 Ca 0.09 -1.29 -0.02 0.00 -0.22 0.00 0.00 54.13 52.69 2qri s LEU 219 Cb -0.09 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.70 2qri s LEU 219 CO 0.03 -0.33 0.46 -3.20 -1.32 0.00 0.00 176.35 171.99 2qri n ASN 220 N 4.84 -2.93 0.00 3.68 4.05 -1.25 -2.89 115.26 120.76 2qri n ASN 220 Ca -0.06 -0.25 0.00 0.00 0.45 0.00 0.00 54.58 54.72 2qri n ASN 220 Cb 0.44 -2.45 0.00 0.00 1.23 0.00 0.00 39.78 39.00 2qri n ASN 220 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2qri n GLY 221 N -1.10 0.29 3.57 8.20 0.00 -1.26 -4.96 105.19 109.92 2qri n GLY 221 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2qri n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qri s GLU 222 N -0.82 3.74 0.25 1.61 2.12 -1.14 -5.06 118.70 119.41 2qri s GLU 222 Ca 0.00 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 2qri s GLU 222 Cb 0.00 -3.03 -0.09 0.00 0.26 0.00 0.00 34.13 31.27 2qri s GLU 222 CO 0.00 0.30 1.23 -1.21 -0.54 0.00 0.00 175.26 175.04 2qri s GLU 223 N 0.25 4.46 -0.51 4.30 2.02 -1.26 -1.19 118.70 126.77 2qri s GLU 223 Ca 0.00 2.00 0.02 0.00 0.02 0.00 0.00 54.97 57.02 2qri s GLU 223 Cb -0.13 -3.17 0.45 0.00 0.10 0.00 0.00 34.13 31.38 2qri s GLU 223 CO 0.02 -0.08 1.67 1.28 0.02 0.00 0.00 175.26 178.16 2qri n LEU 224 N 1.72 6.51 -0.27 1.80 4.77 -0.14 -4.83 117.00 126.56 2qri n LEU 224 Ca 0.02 -4.50 0.08 0.00 -0.03 0.00 0.00 56.01 51.58 2qri n LEU 224 Cb 0.43 -0.71 0.22 0.00 -2.33 0.00 0.00 43.42 41.04 2qri n LEU 224 CO 0.57 1.75 0.91 0.40 -1.33 0.00 0.00 177.39 179.70 2qri h ILE 225 N 1.53 0.40 0.00 -0.08 2.04 -1.93 -2.52 117.51 116.94 2qri h ILE 225 Ca 0.50 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.29 2qri h ILE 225 Cb 1.11 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2qri h ILE 225 CO 1.24 0.04 0.00 0.00 0.00 0.00 0.00 178.15 179.42 2qri n GLN 226 N -5.22 0.21 0.00 2.37 1.13 -1.26 -2.65 117.38 111.95 2qri n GLN 226 Ca 0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2qri n GLN 226 Cb 0.55 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.87 2qri n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2qri n ASP 227 N -0.24 0.00 -4.82 1.08 8.00 -0.95 -5.11 116.55 114.51 2qri n ASP 227 Ca 0.00 -1.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.18 2qri n ASP 227 Cb 0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 2qri n ASP 227 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2qri s MET 228 N 0.00 3.57 -0.03 -1.24 -1.94 -1.08 -4.66 119.30 113.91 2qri s MET 228 Ca 0.00 1.08 0.06 0.00 -1.71 0.00 0.00 55.69 55.13 2qri s MET 228 Cb 0.00 -2.07 -0.02 0.00 2.01 0.00 0.00 34.83 34.74 2qri s MET 228 CO 0.00 -0.59 -0.22 -2.00 -0.01 0.00 0.00 175.02 172.19 2qri s GLU 229 N -4.13 2.27 0.11 2.03 2.12 0.74 -4.93 118.70 116.90 2qri s GLU 229 Ca 0.61 -0.86 -0.10 0.00 0.36 0.00 0.00 54.97 54.99 2qri s GLU 229 Cb -0.13 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.11 2qri s GLU 229 CO 0.36 0.56 0.23 -0.48 -0.54 0.00 0.00 175.26 175.39 2qri s LEU 230 N -0.59 1.21 0.18 2.70 2.34 -1.26 0.50 118.68 123.76 2qri s LEU 230 Ca 0.09 -0.65 0.09 0.00 0.06 0.00 0.00 54.13 53.72 2qri s LEU 230 Cb -0.11 1.16 -0.04 0.00 -0.56 0.00 0.00 46.19 46.64 2qri s LEU 230 CO -0.00 -0.78 -0.10 0.68 -1.06 0.00 0.00 176.35 175.09 2qri s VAL 231 N -3.87 3.14 0.45 1.48 -7.23 -1.10 -5.03 120.40 108.23 2qri s VAL 231 Ca 0.07 -1.69 -0.25 0.00 -1.81 0.00 0.00 61.98 58.30 2qri s VAL 231 Cb 0.04 -2.56 -0.08 0.00 0.56 0.00 0.00 36.38 34.35 2qri s VAL 231 CO -0.09 -0.12 1.34 -1.61 -0.31 0.00 0.00 175.10 174.31 2qri s GLU 232 N -2.84 3.71 0.47 4.82 0.41 -1.26 -4.56 118.70 119.46 2qri s GLU 232 Ca 0.25 2.22 -0.23 0.00 -0.41 0.00 0.00 54.97 56.79 2qri s GLU 232 Cb -0.09 -2.61 -0.08 0.00 -1.78 0.00 0.00 34.13 29.58 2qri s GLU 232 CO 0.15 -0.73 1.18 2.41 -0.49 0.00 0.00 175.26 177.79 2qri n THR 233 N -0.23 2.96 -3.93 3.63 -1.04 -1.26 -4.87 114.28 109.54 2qri n THR 233 Ca 0.06 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.47 2qri n THR 233 Cb 0.44 -1.43 -0.10 0.00 -1.82 0.00 0.00 70.33 67.42 2qri n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qri s ARG 234 N -2.38 0.54 0.18 -2.82 1.70 -0.34 -4.97 118.95 110.84 2qri s ARG 234 Ca 0.66 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.93 2qri s ARG 234 Cb -0.48 0.21 -0.07 0.00 -0.57 0.00 0.00 34.95 34.03 2qri s ARG 234 CO 0.54 -0.13 0.97 -1.25 -1.08 0.00 0.00 175.30 174.35 2qri s PRO 235 N -2.30 4.75 0.41 3.89 0.04 -1.26 -0.34 135.00 140.19 2qri s PRO 235 Ca -0.08 1.50 0.22 0.00 0.04 0.00 0.00 61.00 62.69 2qri s PRO 235 Cb -0.03 -3.32 0.41 0.00 0.04 0.00 0.00 34.50 31.60 2qri s PRO 235 CO -0.03 0.33 1.62 0.00 0.04 0.00 0.00 177.00 178.96 2qri h ALA 236 N 4.88 0.91 0.00 8.56 0.00 -1.46 -3.47 119.26 128.69 2qri h ALA 236 Ca -0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2qri h ALA 236 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2qri h ALA 236 CO 0.70 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.55 2qri n GLY 237 N 0.96 0.28 0.94 0.00 0.00 -1.26 -4.64 105.19 101.47 2qri n GLY 237 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2qri n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qri n ASP 238 N 0.00 3.57 0.00 1.61 5.68 -1.26 -4.93 116.55 121.23 2qri n ASP 238 Ca 0.00 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.00 2qri n ASP 238 Cb 0.00 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 2qri n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qri n GLY 239 N 0.54 2.58 4.01 6.12 0.00 -1.26 -5.07 105.19 112.10 2qri n GLY 239 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2qri n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qri s THR 240 N -2.64 2.52 0.36 2.61 -4.23 -1.26 -4.89 115.64 108.11 2qri s THR 240 Ca 0.00 -0.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 2qri s THR 240 Cb 0.00 -2.64 -0.07 0.00 1.34 0.00 0.00 72.50 71.13 2qri s THR 240 CO 0.00 0.00 0.01 -0.36 -0.54 0.00 0.00 174.62 173.73 2qri s PHE 241 N -2.66 2.25 0.04 3.99 0.40 0.52 -1.19 117.98 121.33 2qri s PHE 241 Ca 0.59 -0.76 -0.00 0.00 -0.60 0.00 0.00 56.93 56.16 2qri s PHE 241 Cb -0.08 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 2qri s PHE 241 CO 0.38 0.29 -0.03 -0.65 0.70 0.00 0.00 175.22 175.91 2qri s GLN 242 N -3.76 0.47 -0.07 0.44 -0.21 0.54 -2.12 119.66 114.95 2qri s GLN 242 Ca 0.35 -0.93 -0.29 0.00 0.02 0.00 0.00 55.36 54.50 2qri s GLN 242 Cb 0.08 0.16 0.11 0.00 1.00 0.00 0.00 33.01 34.35 2qri s GLN 242 CO 0.16 -0.08 0.89 0.21 -2.12 0.00 0.00 175.29 174.35 2qri s LYS 243 N -2.76 0.78 0.01 2.91 2.20 -0.68 -1.20 119.74 121.01 2qri s LYS 243 Ca -0.04 -0.02 -0.11 0.00 -0.36 0.00 0.00 55.97 55.44 2qri s LYS 243 Cb -0.01 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.69 2qri s LYS 243 CO -0.06 -0.29 0.24 1.67 -0.36 0.00 0.00 175.35 176.55 2qri s TRP 244 N -1.94 -0.06 -0.02 4.03 1.48 -1.26 -0.89 118.94 120.28 2qri s TRP 244 Ca -0.01 0.00 0.02 0.00 -1.06 0.00 0.00 56.10 55.05 2qri s TRP 244 Cb -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 33.47 32.34 2qri s TRP 244 CO -0.01 -0.38 -0.06 0.00 -4.06 0.00 0.00 176.95 172.43 2qri s ALA 245 N -1.76 0.59 0.19 2.67 0.00 -0.36 -2.71 121.76 120.38 2qri s ALA 245 Ca -0.11 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.70 2qri s ALA 245 Cb -0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2qri s ALA 245 CO 0.01 0.09 -0.07 -1.54 0.00 0.00 0.00 175.76 174.25 2qri s SER 246 N 0.20 2.01 -0.03 0.00 1.04 0.18 0.37 113.70 117.47 2qri s SER 246 Ca -0.02 -1.10 -0.13 0.00 0.48 0.00 0.00 55.95 55.18 2qri s SER 246 Cb -0.07 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2qri s SER 246 CO -0.00 -0.37 0.29 0.54 0.98 0.00 0.00 173.24 174.68 2qri s VAL 247 N -3.28 0.05 -0.22 5.02 0.11 -0.72 -0.19 120.40 121.17 2qri s VAL 247 Ca 0.22 -0.40 -0.12 0.00 -2.93 0.00 0.00 61.98 58.76 2qri s VAL 247 Cb 0.03 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 2qri s VAL 247 CO 0.05 -0.22 0.21 -0.69 -3.33 0.00 0.00 175.10 171.12 2qri s VAL 248 N -1.02 5.33 0.23 2.04 1.01 -1.26 -1.47 120.40 125.26 2qri s VAL 248 Ca -0.11 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2qri s VAL 248 Cb -0.05 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2qri s VAL 248 CO 0.03 0.34 -0.03 0.68 0.00 0.00 0.00 175.10 176.13 2qri s VAL 249 N 0.96 1.19 0.44 2.92 -7.23 0.31 -4.94 120.40 114.05 2qri s VAL 249 Ca 0.10 -2.06 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 2qri s VAL 249 Cb -0.13 -2.29 -0.08 0.00 0.56 0.00 0.00 36.38 34.44 2qri s VAL 249 CO 0.04 -0.38 1.22 -2.84 -0.31 0.00 0.00 175.10 172.83 2qri s PRO 250 N -3.82 3.82 0.27 4.82 0.02 -1.26 -1.07 135.00 137.78 2qri s PRO 250 Ca 0.27 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 2qri s PRO 250 Cb 0.05 -2.55 -0.11 0.00 0.02 0.00 0.00 34.50 31.91 2qri s PRO 250 CO 0.08 -0.55 1.54 -1.17 -0.33 0.00 0.00 177.00 176.57 2qri s LEU 251 N -2.79 4.36 0.00 -5.54 2.96 -0.72 -1.93 118.68 115.02 2qri s LEU 251 Ca 0.61 2.82 0.00 0.00 -0.22 0.00 0.00 54.13 57.35 2qri s LEU 251 Cb -0.33 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.73 2qri s LEU 251 CO 0.41 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 2qri n GLY 252 N 2.28 1.95 1.19 7.98 0.00 -1.26 -4.88 105.19 112.45 2qri n GLY 252 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 2qri n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qri n LYS 253 N -2.00 3.31 -0.19 1.61 4.76 -0.81 -4.65 118.16 120.19 2qri n LYS 253 Ca 0.00 -2.65 0.14 0.00 -2.87 0.00 0.00 58.31 52.93 2qri n LYS 253 Cb 0.00 -1.71 0.47 0.00 -1.84 0.00 0.00 35.03 31.95 2qri n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2qri h GLU 254 N 3.08 0.49 0.00 1.97 3.07 -1.90 -1.22 114.58 120.06 2qri h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2qri h GLU 254 Cb 1.25 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2qri h GLU 254 CO 0.16 0.32 0.00 1.04 -1.40 0.00 0.00 179.01 179.13 2qri n GLN 255 N -4.50 0.64 0.00 2.33 1.13 -1.26 -2.60 117.38 113.12 2qri n GLN 255 Ca 0.15 0.01 0.13 0.00 -1.94 0.00 0.00 57.00 55.35 2qri n GLN 255 Cb 0.50 -1.50 0.34 0.00 0.11 0.00 0.00 30.24 29.69 2qri n GLN 255 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qri n TYR 256 N -1.03 0.00 -4.50 1.08 4.02 -0.46 -4.92 117.16 111.34 2qri n TYR 256 Ca 0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.74 2qri n TYR 256 Cb 0.09 -0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 39.26 2qri n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2qri s TYR 257 N -2.17 2.61 0.02 -0.72 1.51 -1.07 -3.92 117.35 113.61 2qri s TYR 257 Ca 0.30 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.16 2qri s TYR 257 Cb 0.20 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 2qri s TYR 257 CO 0.40 0.32 -0.08 0.95 -1.11 0.00 0.00 175.55 176.02 2qri s THR 258 N -1.02 0.61 -0.12 -0.71 -4.23 -0.35 -4.61 115.64 105.21 2qri s THR 258 Ca 0.16 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 59.90 2qri s THR 258 Cb -0.11 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 2qri s THR 258 CO 0.08 -0.10 0.10 0.00 -0.54 0.00 0.00 174.62 174.16 2qri s HIS 260 N -0.83 2.26 -0.30 0.00 3.76 0.13 -0.84 115.29 119.47 2qri s HIS 260 Ca 0.13 -1.06 -0.03 0.00 -0.15 0.00 0.00 55.06 53.95 2qri s HIS 260 Cb -0.12 -1.58 0.04 0.00 1.11 0.00 0.00 32.58 32.04 2qri s HIS 260 CO 0.03 -0.50 0.01 0.08 -0.85 0.00 0.00 174.74 173.51 2qri s VAL 261 N 0.81 3.14 -0.35 -0.90 1.01 -0.46 -0.83 120.40 122.82 2qri s VAL 261 Ca -0.09 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 60.53 2qri s VAL 261 Cb -0.16 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2qri s VAL 261 CO 0.00 -0.06 0.18 -0.31 0.00 0.00 0.00 175.10 174.91 2qri s TYR 262 N 1.30 3.22 0.14 5.22 1.51 0.22 -1.44 117.35 127.52 2qri s TYR 262 Ca -0.04 -0.87 0.08 0.00 -1.01 0.00 0.00 57.07 55.24 2qri s TYR 262 Cb -0.19 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 2qri s TYR 262 CO -0.01 -0.59 -0.17 -1.58 -1.11 0.00 0.00 175.55 172.09 2qri s HIS 263 N 1.56 1.70 -0.91 2.71 2.46 -1.26 -1.11 115.29 120.44 2qri s HIS 263 Ca 0.03 -0.48 0.23 0.00 0.47 0.00 0.00 55.06 55.30 2qri s HIS 263 Cb -0.18 -0.87 0.93 0.00 -0.13 0.00 0.00 32.58 32.33 2qri s HIS 263 CO 0.06 0.26 1.72 0.00 -2.47 0.00 0.00 174.74 174.31 2qri n GLN 264 N 0.48 0.05 0.00 2.88 10.64 -1.26 -2.23 117.38 127.94 2qri n GLN 264 Ca -0.15 0.16 0.13 0.00 -1.83 0.00 0.00 57.00 55.31 2qri n GLN 264 Cb 0.56 -1.58 0.29 0.00 -0.86 0.00 0.00 30.24 28.66 2qri n GLN 264 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qri n GLY 265 N 0.76 0.06 3.69 2.61 0.00 -1.26 -4.89 105.19 106.16 2qri n GLY 265 Ca 0.05 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 2qri n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qri s LEU 266 N -2.23 4.20 0.27 0.99 1.43 -0.95 -4.58 118.68 117.82 2qri s LEU 266 Ca 0.28 0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 54.12 2qri s LEU 266 Cb 0.20 -2.72 0.46 0.00 0.03 0.00 0.00 46.19 44.16 2qri s LEU 266 CO 0.42 -0.11 1.84 1.55 0.23 0.00 0.00 176.35 180.29 2qri h PRO 267 N 7.14 0.97 -3.61 1.29 0.13 -1.90 -3.42 132.00 132.60 2qri h PRO 267 Ca -0.37 -0.06 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 2qri h PRO 267 Cb 1.17 -0.22 -0.24 0.00 0.13 0.00 0.00 31.00 31.84 2qri h PRO 267 CO 0.75 0.65 -0.59 -1.83 -0.23 0.00 0.00 178.00 176.74 2qri s GLU 268 N -6.00 0.26 0.30 0.86 -1.05 -1.26 -5.13 118.70 106.68 2qri s GLU 268 Ca -0.12 -0.18 -0.29 0.00 -0.15 0.00 0.00 54.97 54.23 2qri s GLU 268 Cb 0.21 0.11 -0.13 0.00 -0.44 0.00 0.00 34.13 33.88 2qri s GLU 268 CO 0.80 -0.05 1.34 -2.30 0.95 0.00 0.00 175.26 176.00 2qri n PRO 269 N 2.27 2.11 -2.86 -4.83 -0.02 -1.26 -4.95 135.00 125.47 2qri n PRO 269 Ca -0.18 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 2qri n PRO 269 Cb 0.57 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 2qri n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qri s LEU 270 N -0.56 4.31 -0.10 2.45 1.43 -0.52 -4.88 118.68 120.80 2qri s LEU 270 Ca 0.60 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 55.45 2qri s LEU 270 Cb -0.60 -3.96 0.01 0.00 0.03 0.00 0.00 46.19 41.67 2qri s LEU 270 CO 0.57 -0.07 -0.14 -0.89 0.23 0.00 0.00 176.35 176.05 2qri s THR 271 N -1.64 1.41 0.08 5.49 2.01 -1.26 -1.35 115.64 120.38 2qri s THR 271 Ca 0.50 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.92 2qri s THR 271 Cb -0.17 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 2qri s THR 271 CO 0.22 0.42 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.74 2qri s LEU 272 N 0.94 2.42 0.08 4.42 1.02 -0.02 -4.96 118.68 122.58 2qri s LEU 272 Ca -0.08 -0.85 0.02 0.00 0.02 0.00 0.00 54.13 53.24 2qri s LEU 272 Cb -0.15 -0.15 -0.04 0.00 0.02 0.00 0.00 46.19 45.87 2qri s LEU 272 CO -0.00 -0.35 -0.07 -0.13 0.02 0.00 0.00 176.35 175.81 2qri s ARG 273 N -3.04 0.74 0.19 1.70 1.81 -1.26 0.03 118.95 119.12 2qri s ARG 273 Ca 0.05 -1.14 -0.31 0.00 -1.72 0.00 0.00 55.73 52.61 2qri s ARG 273 Cb -0.00 -0.25 -0.10 0.00 -0.45 0.00 0.00 34.95 34.14 2qri s ARG 273 CO -0.02 0.01 1.48 -0.46 -0.68 0.00 0.00 175.30 175.63 2qri s TRP 274 N -2.84 3.08 -0.19 -0.53 -0.11 -1.26 -4.75 118.94 112.34 2qri s TRP 274 Ca 0.05 0.85 0.00 0.00 1.22 0.00 0.00 56.10 58.22 2qri s TRP 274 Cb -0.00 -3.84 0.01 0.00 -1.50 0.00 0.00 33.47 28.14 2qri s TRP 274 CO -0.03 -2.92 -0.17 -2.00 -4.62 0.00 0.00 176.95 167.21 2qri s GLU 275 N 0.48 3.07 0.00 5.86 2.56 -1.26 -4.90 118.70 124.51 2qri s GLU 275 Ca 0.65 -0.79 0.21 0.00 0.00 0.00 0.00 54.97 55.03 2qri s GLU 275 Cb -0.42 -2.65 1.24 0.00 2.00 0.00 0.00 34.13 34.30 2qri s GLU 275 CO 0.36 -0.20 1.62 -0.35 -0.56 0.00 0.00 175.26 176.13