#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isr s ASN -1 N 0.00 0.50 0.54 -3.46 0.01 -0.70 -5.01 114.94 106.81 3isr s ASN -1 Ca 0.00 -0.62 0.05 0.00 -0.71 0.00 0.00 52.86 51.58 3isr s ASN -1 Cb 0.00 0.10 0.03 0.00 0.41 0.00 0.00 41.25 41.79 3isr s ASN -1 CO 0.00 -0.33 0.32 0.00 -1.51 0.00 0.00 177.10 175.58 3isr s ALA 0 N -1.93 4.37 -0.21 0.60 0.00 -1.26 -1.82 121.76 121.51 3isr s ALA 0 Ca -0.09 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.61 3isr s ALA 0 Cb -0.06 -0.58 0.06 0.00 0.00 0.00 0.00 23.12 22.54 3isr s ALA 0 CO -0.02 -0.36 0.56 0.15 0.00 0.00 0.00 175.76 176.09 3isr s LYS 2 N -4.20 0.64 0.08 0.00 1.02 -1.26 -4.98 119.74 111.04 3isr s LYS 2 Ca 0.28 0.81 0.02 0.00 0.02 0.00 0.00 55.97 57.11 3isr s LYS 2 Cb -0.01 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.55 3isr s LYS 2 CO 0.17 -0.09 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.38 3isr s PHE 3 N 0.46 0.83 -0.19 3.18 0.08 0.28 -1.49 117.98 121.14 3isr s PHE 3 Ca -0.01 -0.73 -0.02 0.00 0.12 0.00 0.00 56.93 56.28 3isr s PHE 3 Cb -0.04 -0.48 -0.00 0.00 -0.57 0.00 0.00 43.02 41.92 3isr s PHE 3 CO -0.01 -0.11 -0.10 -1.59 -0.10 0.00 0.00 175.22 173.30 3isr s LYS 4 N -2.89 3.28 0.18 0.44 -2.85 0.35 -0.98 119.74 117.27 3isr s LYS 4 Ca 0.03 -0.69 0.09 0.00 -1.00 0.00 0.00 55.97 54.40 3isr s LYS 4 Cb -0.01 -2.82 -0.04 0.00 -2.06 0.00 0.00 37.83 32.90 3isr s LYS 4 CO -0.02 -0.11 -0.14 0.96 0.10 0.00 0.00 175.35 176.14 3isr s ILE 5 N 1.19 2.97 -0.21 3.79 -4.36 0.07 -0.88 121.20 123.77 3isr s ILE 5 Ca 0.02 -1.72 -0.19 0.00 -0.26 0.00 0.00 60.65 58.50 3isr s ILE 5 Cb -0.14 -2.45 0.06 0.00 1.25 0.00 0.00 42.46 41.17 3isr s ILE 5 CO -0.04 -0.09 0.56 -2.28 0.24 0.00 0.00 174.94 173.34 3isr s HIS 6 N -1.63 -0.64 0.02 1.37 2.46 -0.41 -1.65 115.29 114.81 3isr s HIS 6 Ca 0.23 1.53 -0.02 0.00 0.47 0.00 0.00 55.06 57.27 3isr s HIS 6 Cb -0.09 0.23 -0.02 0.00 -0.13 0.00 0.00 32.58 32.58 3isr s HIS 6 CO 0.13 -0.31 0.02 -1.54 -2.47 0.00 0.00 174.74 170.57 3isr s SER 7 N 0.40 0.22 -0.02 9.88 1.04 -0.42 -0.18 113.70 124.63 3isr s SER 7 Ca -0.01 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 55.84 3isr s SER 7 Cb -0.04 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.23 3isr s SER 7 CO -0.01 -0.38 0.16 1.51 0.98 0.00 0.00 173.24 175.51 3isr s ASP 8 N -1.70 -0.05 0.00 7.02 -4.77 -0.24 -0.20 116.67 116.72 3isr s ASP 8 Ca -0.12 -0.02 0.00 0.00 -3.30 0.00 0.00 52.55 49.12 3isr s ASP 8 Cb -0.06 0.26 -0.00 0.00 -1.09 0.00 0.00 42.92 42.03 3isr s ASP 8 CO -0.02 -0.28 -0.01 -0.63 0.70 0.00 0.00 175.17 174.93 3isr s ILE 9 N -0.93 0.09 -0.06 2.11 1.01 -1.26 -1.07 121.20 121.08 3isr s ILE 9 Ca -0.10 -0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.51 3isr s ILE 9 Cb -0.06 -0.09 -0.01 0.00 0.01 0.00 0.00 42.46 42.32 3isr s ILE 9 CO 0.01 -0.00 -0.24 -0.89 0.00 0.00 0.00 174.94 173.82 3isr s THR 10 N -0.10 2.11 -0.01 2.92 2.01 -0.53 -4.31 115.64 117.73 3isr s THR 10 Ca -0.00 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.02 3isr s THR 10 Cb -0.01 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3isr s THR 10 CO -0.00 0.57 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.99 3isr s TYR 11 N -0.10 1.77 -0.22 4.92 2.02 0.38 -0.60 117.35 125.51 3isr s TYR 11 Ca -0.05 -0.34 -0.13 0.00 -0.37 0.00 0.00 57.07 56.18 3isr s TYR 11 Cb -0.14 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 3isr s TYR 11 CO 0.04 -0.02 0.29 1.14 -1.57 0.00 0.00 175.55 175.43 3isr s GLN 12 N -0.53 4.12 0.46 -0.62 -2.07 -0.50 -1.49 119.66 119.03 3isr s GLN 12 Ca 0.08 -0.03 0.08 0.00 -1.82 0.00 0.00 55.36 53.67 3isr s GLN 12 Cb -0.08 -3.54 0.02 0.00 -1.09 0.00 0.00 33.01 28.33 3isr s GLN 12 CO -0.01 0.00 0.58 0.08 -1.32 0.00 0.00 175.29 174.63 3isr s VAL 13 N 1.22 2.68 1.08 3.63 1.01 0.18 -1.92 120.40 128.28 3isr s VAL 13 Ca 0.13 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 3isr s VAL 13 Cb -0.14 -2.76 0.18 0.00 0.00 0.00 0.00 36.38 33.66 3isr s VAL 13 CO 0.06 0.00 0.30 -1.54 0.00 0.00 0.00 175.10 173.92 3isr n SER 15 N -1.89 -3.00 -4.69 3.32 3.41 -1.14 -1.13 113.62 108.51 3isr n SER 15 Ca 0.09 -0.38 -0.44 0.00 -0.26 0.00 0.00 58.87 57.87 3isr n SER 15 Cb 0.60 -0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 63.69 3isr n SER 15 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3isr n PRO 16 N -2.24 2.52 -3.97 4.33 -0.02 -1.26 -4.10 135.00 130.26 3isr n PRO 16 Ca 0.05 0.92 -0.15 0.00 -2.02 0.00 0.00 63.50 62.30 3isr n PRO 16 Cb 0.44 -2.77 -0.15 0.00 -0.02 0.00 0.00 33.50 31.00 3isr n PRO 16 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3isr s THR 17 N 2.29 0.18 -0.11 3.45 2.01 -0.58 -4.48 115.64 118.41 3isr s THR 17 Ca 0.82 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.76 3isr s THR 17 Cb -0.57 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 3isr s THR 17 CO 0.39 0.09 0.05 -0.89 -0.69 0.00 0.00 174.62 173.57 3isr s THR 18 N 0.41 4.70 -0.05 -0.82 2.01 -0.17 -0.48 115.64 121.23 3isr s THR 18 Ca -0.04 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.93 3isr s THR 18 Cb -0.07 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3isr s THR 18 CO -0.01 0.59 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.92 3isr s PHE 19 N -0.75 2.45 -0.21 4.92 0.08 0.44 -0.80 117.98 124.12 3isr s PHE 19 Ca 0.12 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.66 3isr s PHE 19 Cb -0.12 -1.58 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 3isr s PHE 19 CO 0.03 -0.09 -0.16 0.42 -0.10 0.00 0.00 175.22 175.31 3isr s ILE 20 N -0.39 2.06 0.14 0.64 1.01 0.02 -1.96 121.20 122.72 3isr s ILE 20 Ca 0.03 -1.19 0.05 0.00 0.00 0.00 0.00 60.65 59.54 3isr s ILE 20 Cb -0.12 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3isr s ILE 20 CO 0.02 0.31 0.12 -0.36 0.00 0.00 0.00 174.94 175.02 3isr s PHE 21 N 1.23 3.15 -0.41 3.97 0.08 0.76 -0.20 117.98 126.57 3isr s PHE 21 Ca -0.00 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.06 3isr s PHE 21 Cb -0.16 -1.54 0.14 0.00 -0.57 0.00 0.00 43.02 40.90 3isr s PHE 21 CO -0.10 0.52 0.25 1.21 -0.10 0.00 0.00 175.22 177.00 3isr s ASN 22 N -2.92 3.14 0.00 1.36 2.47 -0.45 -1.04 114.94 117.51 3isr s ASN 22 Ca 0.30 -2.53 0.00 0.00 0.42 0.00 0.00 52.86 51.06 3isr s ASN 22 Cb -0.11 -0.71 0.00 0.00 -1.45 0.00 0.00 41.25 38.98 3isr s ASN 22 CO 0.23 -0.27 0.00 1.33 -3.72 0.00 0.00 177.10 174.67 3isr n VAL 23 N 3.63 0.00 -2.37 -5.21 0.24 -1.26 -4.60 118.33 108.76 3isr n VAL 23 Ca 0.13 -0.17 -0.38 0.00 -2.04 0.00 0.00 64.34 61.88 3isr n VAL 23 Cb 0.37 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 3isr n VAL 23 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3isr s HIS 24 N -1.12 3.17 0.45 6.34 3.76 -1.26 -4.99 115.29 121.63 3isr s HIS 24 Ca 0.00 1.59 -0.24 0.00 -0.15 0.00 0.00 55.06 56.26 3isr s HIS 24 Cb 0.00 -3.32 -0.08 0.00 1.11 0.00 0.00 32.58 30.29 3isr s HIS 24 CO 0.00 -1.08 1.29 0.00 -0.85 0.00 0.00 174.74 174.09 3isr s ALA 25 N -1.44 3.09 0.30 -1.40 0.00 -1.26 -4.60 121.76 116.44 3isr s ALA 25 Ca 0.56 1.20 -0.24 0.00 0.00 0.00 0.00 51.96 53.47 3isr s ALA 25 Cb -0.29 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.25 3isr s ALA 25 CO 0.36 -0.92 0.88 -1.17 0.00 0.00 0.00 175.76 174.91 3isr s LEU 26 N -2.82 4.33 -0.29 0.00 2.96 -0.56 -4.92 118.68 117.38 3isr s LEU 26 Ca 0.62 1.70 -0.15 0.00 -0.22 0.00 0.00 54.13 56.08 3isr s LEU 26 Cb -0.37 -3.90 -0.03 0.00 0.50 0.00 0.00 46.19 42.39 3isr s LEU 26 CO 0.46 -0.05 0.38 -0.13 -1.32 0.00 0.00 176.35 175.69 3isr s ARG 27 N -2.06 3.92 0.23 1.98 0.52 -1.26 -4.74 118.95 117.54 3isr s ARG 27 Ca 0.48 -0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.67 3isr s ARG 27 Cb -0.18 -3.69 -0.01 0.00 0.52 0.00 0.00 34.95 31.60 3isr s ARG 27 CO 0.23 -0.34 0.09 0.25 0.02 0.00 0.00 175.30 175.55 3isr n THR 28 N 5.16 0.00 0.18 0.02 -2.24 -0.56 -4.99 114.28 111.85 3isr n THR 28 Ca -0.08 -1.36 0.04 0.00 -2.27 0.00 0.00 64.05 60.38 3isr n THR 28 Cb 0.50 0.50 0.34 0.00 -2.10 0.00 0.00 70.33 69.57 3isr n THR 28 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3isr h GLU 29 N 0.00 0.00 0.00 -0.78 4.81 -1.99 -3.24 114.58 113.39 3isr h GLU 29 Ca -0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3isr h GLU 29 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3isr h GLU 29 CO 0.28 0.41 -1.16 -1.13 -0.73 0.00 0.00 179.01 176.68 3isr n SER 30 N -3.75 0.99 -4.09 1.04 3.41 -1.26 -4.92 113.62 105.04 3isr n SER 30 Ca -0.01 -0.49 -0.32 0.00 -0.26 0.00 0.00 58.87 57.78 3isr n SER 30 Cb 0.49 1.32 -0.16 0.00 -0.26 0.00 0.00 64.21 65.60 3isr n SER 30 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3isr s GLN 31 N -2.75 2.64 -0.02 4.33 0.74 -1.22 -2.13 119.66 121.25 3isr s GLN 31 Ca 0.01 -1.04 0.07 0.00 0.05 0.00 0.00 55.36 54.44 3isr s GLN 31 Cb 0.11 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.51 3isr s GLN 31 CO 0.65 -0.37 -0.22 -1.01 -0.55 0.00 0.00 175.29 173.79 3isr s HIS 32 N 1.22 2.45 -0.29 1.67 3.76 0.04 -1.49 115.29 122.66 3isr s HIS 32 Ca -0.01 -0.34 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 3isr s HIS 32 Cb -0.16 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 3isr s HIS 32 CO -0.10 0.05 0.35 0.42 -0.85 0.00 0.00 174.74 174.61 3isr s ILE 33 N -0.67 5.19 0.08 0.60 1.01 -1.26 -0.46 121.20 125.68 3isr s ILE 33 Ca 0.11 0.40 -0.12 0.00 0.00 0.00 0.00 60.65 61.04 3isr s ILE 33 Cb -0.10 -3.70 -0.23 0.00 0.01 0.00 0.00 42.46 38.43 3isr s ILE 33 CO -0.00 0.11 1.20 -0.07 0.00 0.00 0.00 174.94 176.18 3isr h LEU 34 N 8.61 0.84 -7.00 2.97 3.38 -0.96 -3.47 115.31 119.68 3isr h LEU 34 Ca -0.32 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 56.94 3isr h LEU 34 Cb 1.16 -0.26 -0.22 0.00 0.09 0.00 0.00 40.66 41.44 3isr h LEU 34 CO 0.64 1.49 0.20 -0.62 0.09 0.00 0.00 178.44 180.25 3isr s ASP 35 N -7.28 -0.68 0.08 -0.43 3.68 -1.14 -4.98 116.67 105.93 3isr s ASP 35 Ca -0.09 1.21 -0.11 0.00 2.13 0.00 0.00 52.55 55.69 3isr s ASP 35 Cb 0.07 1.19 0.01 0.00 -1.45 0.00 0.00 42.92 42.73 3isr s ASP 35 CO 0.91 -0.30 0.24 -1.83 0.13 0.00 0.00 175.17 174.33 3isr s GLU 36 N 0.05 0.86 -0.14 4.34 -1.05 -1.26 -0.07 118.70 121.42 3isr s GLU 36 Ca -0.01 -0.82 -0.07 0.00 -0.15 0.00 0.00 54.97 53.91 3isr s GLU 36 Cb -0.04 0.36 0.06 0.00 -0.44 0.00 0.00 34.13 34.06 3isr s GLU 36 CO 0.01 -0.28 0.33 0.45 0.95 0.00 0.00 175.26 176.72 3isr s SER 37 N -2.66 -0.33 -0.17 0.83 0.15 0.27 -4.99 113.70 106.80 3isr s SER 37 Ca 0.02 0.72 0.01 0.00 0.70 0.00 0.00 55.95 57.41 3isr s SER 37 Cb 0.03 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 3isr s SER 37 CO -0.09 -0.19 -0.20 -0.22 1.20 0.00 0.00 173.24 173.74 3isr s LEU 38 N 1.49 2.10 -0.09 3.45 1.98 -1.26 -1.51 118.68 124.85 3isr s LEU 38 Ca -0.08 -0.63 0.02 0.00 -2.89 0.00 0.00 54.13 50.55 3isr s LEU 38 Cb -0.10 -1.45 0.01 0.00 0.66 0.00 0.00 46.19 45.32 3isr s LEU 38 CO -0.11 0.02 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.61 3isr s ILE 39 N 1.18 1.26 -0.06 6.68 1.01 0.18 -4.98 121.20 126.47 3isr s ILE 39 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3isr s ILE 39 Cb -0.14 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3isr s ILE 39 CO -0.10 0.39 -0.12 0.68 0.00 0.00 0.00 174.94 175.79 3isr s VAL 40 N 0.89 3.27 -0.08 2.92 -7.23 -1.26 -0.25 120.40 118.66 3isr s VAL 40 Ca -0.10 -0.64 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 3isr s VAL 40 Cb -0.15 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.50 3isr s VAL 40 CO 0.01 0.59 -0.05 0.42 -0.31 0.00 0.00 175.10 175.75 3isr s THR 41 N -0.64 0.72 0.94 5.32 -4.23 0.16 -3.14 115.64 114.77 3isr s THR 41 Ca 0.10 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.35 3isr s THR 41 Cb -0.11 -0.77 0.16 0.00 1.34 0.00 0.00 72.50 73.11 3isr s THR 41 CO 0.01 0.30 1.10 -2.84 -0.54 0.00 0.00 174.62 172.65 3isr s PRO 42 N 1.49 0.86 -0.19 3.99 0.02 -1.26 -0.61 135.00 139.30 3isr s PRO 42 Ca -0.01 1.15 -0.29 0.00 0.02 0.00 0.00 61.00 61.87 3isr s PRO 42 Cb -0.13 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 3isr s PRO 42 CO -0.04 -2.61 1.69 -1.25 -0.33 0.00 0.00 177.00 174.46 3isr s PRO 43 N -4.72 3.78 -0.03 5.54 0.05 -1.19 -4.88 135.00 133.56 3isr s PRO 43 Ca 0.65 1.78 0.07 0.00 0.05 0.00 0.00 61.00 63.56 3isr s PRO 43 Cb -0.21 -4.07 -0.02 0.00 0.05 0.00 0.00 34.50 30.25 3isr s PRO 43 CO 0.59 -1.32 -0.23 0.42 0.05 0.00 0.00 177.00 176.51 3isr s ILE 44 N 5.35 2.29 0.19 0.56 1.01 -1.26 -5.10 121.20 124.24 3isr s ILE 44 Ca 0.75 -1.02 -0.33 0.00 0.00 0.00 0.00 60.65 60.06 3isr s ILE 44 Cb -0.27 -1.82 -0.14 0.00 0.01 0.00 0.00 42.46 40.24 3isr s ILE 44 CO 0.31 0.58 1.52 1.21 0.00 0.00 0.00 174.94 178.56 3isr n GLU 45 N 2.44 2.14 -4.30 2.79 2.13 -1.26 -4.93 120.64 119.65 3isr n GLU 45 Ca -0.16 0.77 -0.19 0.00 0.66 0.00 0.00 57.16 58.24 3isr n GLU 45 Cb 0.51 -2.50 -0.13 0.00 0.27 0.00 0.00 31.44 29.59 3isr n GLU 45 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 3isr s ILE 46 N 0.54 1.00 -0.06 6.31 -5.25 -1.26 -4.58 121.20 117.90 3isr s ILE 46 Ca 0.74 -0.96 0.03 0.00 -0.99 0.00 0.00 60.65 59.47 3isr s ILE 46 Cb -0.66 -0.92 0.01 0.00 2.95 0.00 0.00 42.46 43.84 3isr s ILE 46 CO 0.42 -0.04 -0.14 -0.70 -1.79 0.00 0.00 174.94 172.69 3isr s GLU 47 N -1.14 1.77 0.10 0.37 2.12 -0.76 -4.96 118.70 116.20 3isr s GLU 47 Ca 0.00 -0.48 -0.21 0.00 0.36 0.00 0.00 54.97 54.64 3isr s GLU 47 Cb -0.08 -1.47 -0.07 0.00 0.26 0.00 0.00 34.13 32.77 3isr s GLU 47 CO 0.01 0.09 0.64 -2.00 -0.54 0.00 0.00 175.26 173.45 3isr s GLU 48 N 0.49 4.32 0.17 4.30 2.12 -1.26 -0.42 118.70 128.41 3isr s GLU 48 Ca -0.12 0.87 -0.08 0.00 0.36 0.00 0.00 54.97 56.00 3isr s GLU 48 Cb -0.15 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 3isr s GLU 48 CO 0.04 0.60 0.27 -0.59 -0.54 0.00 0.00 175.26 175.04 3isr s PHE 49 N -1.07 0.46 0.12 5.30 -0.71 -0.05 -4.99 117.98 117.04 3isr s PHE 49 Ca 0.31 -0.82 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 3isr s PHE 49 Cb -0.21 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 3isr s PHE 49 CO 0.21 -0.71 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.17 3isr s SER 50 N -2.98 1.50 0.90 1.98 0.01 -1.26 -0.87 113.70 112.96 3isr s SER 50 Ca 0.19 -0.99 -0.12 0.00 1.31 0.00 0.00 55.95 56.34 3isr s SER 50 Cb 0.04 0.03 0.13 0.00 0.21 0.00 0.00 66.02 66.43 3isr s SER 50 CO 0.01 -0.38 1.10 -0.31 0.41 0.00 0.00 173.24 174.08 3isr s TYR 51 N -3.34 2.45 0.35 2.43 2.02 -1.26 -4.92 117.35 115.08 3isr s TYR 51 Ca 0.13 1.09 0.06 0.00 -0.37 0.00 0.00 57.07 57.98 3isr s TYR 51 Cb 0.03 -3.22 0.74 0.00 -0.40 0.00 0.00 41.96 39.11 3isr s TYR 51 CO -0.02 -2.33 1.93 -0.91 -1.57 0.00 0.00 175.55 172.65 3isr h ASN 52 N -1.49 0.69 -0.22 2.29 -0.26 -2.01 -1.21 115.58 113.36 3isr h ASN 52 Ca -0.50 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.25 3isr h ASN 52 Cb 1.30 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 38.42 3isr h ASN 52 CO 0.58 0.42 0.14 0.77 -1.06 0.00 0.00 177.43 178.28 3isr h SER 53 N 0.77 0.26 -2.99 5.81 4.64 -2.00 -3.47 113.55 116.57 3isr h SER 53 Ca 0.36 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 61.37 3isr h SER 53 Cb 0.38 -0.07 0.03 0.00 -0.31 0.00 0.00 62.40 62.43 3isr h SER 53 CO -0.13 0.20 -0.43 0.61 -0.87 0.00 0.00 176.83 176.21 3isr n GLY 54 N -1.48 -0.22 1.26 -0.77 0.00 -0.46 -4.93 105.19 98.59 3isr n GLY 54 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3isr n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3isr n THR 55 N -4.12 2.55 -3.53 2.61 -2.24 -1.26 -4.96 114.28 103.33 3isr n THR 55 Ca -0.12 -2.11 -0.15 0.00 -2.27 0.00 0.00 64.05 59.40 3isr n THR 55 Cb 0.61 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 3isr n THR 55 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3isr s SER 56 N -1.92 -0.57 -0.32 3.42 1.04 -1.26 -1.91 113.70 112.18 3isr s SER 56 Ca 0.46 0.58 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 3isr s SER 56 Cb 0.39 0.48 0.04 0.00 0.10 0.00 0.00 66.02 67.03 3isr s SER 56 CO 0.07 -0.56 0.06 -0.13 0.98 0.00 0.00 173.24 173.66 3isr s ARG 57 N -1.36 2.62 0.08 4.02 0.52 -1.26 -4.57 118.95 119.00 3isr s ARG 57 Ca -0.08 -1.16 -0.03 0.00 -0.52 0.00 0.00 55.73 53.94 3isr s ARG 57 Cb -0.00 -3.35 -0.05 0.00 0.52 0.00 0.00 34.95 32.07 3isr s ARG 57 CO 0.06 -0.62 0.29 -0.06 0.02 0.00 0.00 175.30 174.99 3isr s PHE 58 N 1.37 3.51 -0.04 -0.53 0.08 -0.05 -4.38 117.98 117.94 3isr s PHE 58 Ca -0.02 0.44 0.05 0.00 0.12 0.00 0.00 56.93 57.52 3isr s PHE 58 Cb -0.19 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 3isr s PHE 58 CO 0.01 0.53 -0.19 0.14 -0.10 0.00 0.00 175.22 175.61 3isr s VAL 59 N -1.53 1.59 0.06 -0.44 -7.23 -0.20 -0.87 120.40 111.78 3isr s VAL 59 Ca 0.36 -0.82 0.05 0.00 -1.81 0.00 0.00 61.98 59.76 3isr s VAL 59 Cb -0.13 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 3isr s VAL 59 CO 0.24 0.45 -0.14 0.00 -0.31 0.00 0.00 175.10 175.34 3isr s ARG 60 N -0.17 0.86 0.19 4.82 1.70 0.44 -0.17 118.95 126.61 3isr s ARG 60 Ca 0.00 -0.90 -0.17 0.00 -0.47 0.00 0.00 55.73 54.20 3isr s ARG 60 Cb -0.11 -0.87 0.02 0.00 -0.57 0.00 0.00 34.95 33.43 3isr s ARG 60 CO 0.01 0.20 0.50 -0.48 -1.08 0.00 0.00 175.30 174.45 3isr s LEU 61 N -1.57 0.18 0.14 -1.89 0.05 -0.83 -1.84 118.68 112.92 3isr s LEU 61 Ca -0.01 -0.53 0.11 0.00 0.05 0.00 0.00 54.13 53.75 3isr s LEU 61 Cb -0.09 2.04 -0.04 0.00 -2.05 0.00 0.00 46.19 46.04 3isr s LEU 61 CO 0.02 -1.04 -0.26 -1.59 -0.55 0.00 0.00 176.35 172.93 3isr s LYS 62 N -3.88 1.41 0.03 1.48 -2.85 -1.26 -0.42 119.74 114.25 3isr s LYS 62 Ca 0.10 -1.38 0.04 0.00 -1.00 0.00 0.00 55.97 53.73 3isr s LYS 62 Cb -0.01 -1.87 -0.02 0.00 -2.06 0.00 0.00 37.83 33.87 3isr s LYS 62 CO -0.02 0.44 -0.11 0.00 0.10 0.00 0.00 175.35 175.75 3isr s ALA 63 N -1.18 0.88 0.55 0.59 0.00 0.36 -4.93 121.76 118.03 3isr s ALA 63 Ca 0.15 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 3isr s ALA 63 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 3isr s ALA 63 CO 0.07 0.14 0.86 0.95 0.00 0.00 0.00 175.76 177.78 3isr s THR 64 N -0.81 4.08 1.02 0.00 -4.23 -1.26 -1.53 115.64 112.91 3isr s THR 64 Ca -0.01 0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 3isr s THR 64 Cb -0.07 -3.59 0.21 0.00 1.34 0.00 0.00 72.50 70.38 3isr s THR 64 CO 0.01 -0.59 1.08 -1.83 -0.54 0.00 0.00 174.62 172.75 3isr s GLU 65 N -4.90 0.18 -1.24 3.99 1.03 -1.26 -3.88 118.70 112.62 3isr s GLU 65 Ca 0.52 1.10 -0.27 0.00 0.03 0.00 0.00 54.97 56.34 3isr s GLU 65 Cb -0.10 -1.66 0.04 0.00 -0.80 0.00 0.00 34.13 31.60 3isr s GLU 65 CO 0.45 -3.06 0.52 0.27 -1.33 0.00 0.00 175.26 172.11 3isr n ASN 66 N -4.48 -2.91 -3.89 0.83 6.94 -0.29 -4.94 115.26 106.53 3isr n ASN 66 Ca 0.07 -1.26 -0.09 0.00 -0.02 0.00 0.00 54.58 53.28 3isr n ASN 66 Cb 0.54 -1.52 -0.08 0.00 -2.36 0.00 0.00 39.78 36.35 3isr n ASN 66 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3isr s THR 67 N -3.74 0.14 0.06 5.53 -1.32 -1.00 -4.99 115.64 110.30 3isr s THR 67 Ca 0.38 -1.12 0.05 0.00 -1.21 0.00 0.00 61.69 59.79 3isr s THR 67 Cb -0.21 -1.12 -0.03 0.00 -1.51 0.00 0.00 72.50 69.63 3isr s THR 67 CO 0.95 -0.62 -0.14 0.42 -2.21 0.00 0.00 174.62 173.01 3isr s THR 68 N -3.18 1.11 0.16 5.08 -4.23 -1.26 0.48 115.64 113.80 3isr s THR 68 Ca -0.00 -1.21 -0.14 0.00 -1.18 0.00 0.00 61.69 59.16 3isr s THR 68 Cb 0.02 -1.05 0.01 0.00 1.34 0.00 0.00 72.50 72.82 3isr s THR 68 CO -0.07 -0.16 0.39 0.72 -0.54 0.00 0.00 174.62 174.96 3isr s PHE 69 N -1.15 0.06 0.00 3.99 -0.12 -0.55 -4.50 117.98 115.71 3isr s PHE 69 Ca -0.01 -0.42 0.00 0.00 -0.05 0.00 0.00 56.93 56.45 3isr s PHE 69 Cb -0.09 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 3isr s PHE 69 CO 0.02 -0.78 0.00 0.43 -0.05 0.00 0.00 175.22 174.84 3isr n SER 70 N -0.25 0.77 0.00 1.98 7.64 0.22 -0.47 113.62 123.50 3isr n SER 70 Ca -0.11 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.03 3isr n SER 70 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 3isr n SER 70 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3isr n SER 72 N -1.66 0.00 -4.22 6.43 2.88 0.65 -0.66 113.62 117.04 3isr n SER 72 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3isr n SER 72 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 3isr n SER 72 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 3isr s TYR 73 N 0.00 2.22 -0.03 0.66 5.04 0.72 -0.65 117.35 125.31 3isr s TYR 73 Ca 0.00 -0.68 -0.02 0.00 -2.44 0.00 0.00 57.07 53.93 3isr s TYR 73 Cb 0.00 -1.47 0.01 0.00 0.35 0.00 0.00 41.96 40.86 3isr s TYR 73 CO 0.00 -0.22 0.07 0.99 -1.34 0.00 0.00 175.55 175.05 3isr s THR 74 N -0.05 -0.01 0.05 4.34 2.01 -0.57 -1.29 115.64 120.11 3isr s THR 74 Ca -0.05 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 3isr s THR 74 Cb -0.13 -0.11 0.04 0.00 0.01 0.00 0.00 72.50 72.31 3isr s THR 74 CO 0.04 0.02 0.45 0.00 -0.69 0.00 0.00 174.62 174.44 3isr s ALA 75 N 0.32 -1.11 -0.15 7.40 0.00 -0.66 -0.57 121.76 126.99 3isr s ALA 75 Ca -0.02 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 3isr s ALA 75 Cb -0.04 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 3isr s ALA 75 CO -0.01 -0.48 -0.07 0.99 0.00 0.00 0.00 175.76 176.19 3isr s THR 76 N -2.52 3.53 -0.01 0.00 2.01 0.90 -0.75 115.64 118.81 3isr s THR 76 Ca -0.05 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.48 3isr s THR 76 Cb -0.01 -2.53 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 3isr s THR 76 CO -0.03 0.50 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.66 3isr s VAL 77 N 0.48 0.43 -0.18 3.82 1.01 -0.16 -0.21 120.40 125.59 3isr s VAL 77 Ca -0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 3isr s VAL 77 Cb -0.15 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 3isr s VAL 77 CO 0.03 0.13 0.03 -1.81 0.00 0.00 0.00 175.10 173.49 3isr s ASP 78 N 0.00 5.30 0.21 3.32 1.01 0.39 -0.55 116.67 126.36 3isr s ASP 78 Ca 0.00 -0.02 0.11 0.00 0.71 0.00 0.00 52.55 53.36 3isr s ASP 78 Cb -0.04 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 3isr s ASP 78 CO -0.00 0.15 -0.19 0.42 0.21 0.00 0.00 175.17 175.76 3isr s THR 79 N 0.50 2.59 0.05 -1.27 -4.23 -1.26 -0.78 115.64 111.24 3isr s THR 79 Ca 0.01 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3isr s THR 79 Cb -0.13 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 3isr s THR 79 CO 0.01 -0.19 -0.04 0.00 -0.54 0.00 0.00 174.62 173.87 3isr s GLN 80 N -2.93 0.54 0.08 3.99 -2.07 -0.90 -4.36 119.66 113.99 3isr s GLN 80 Ca 0.24 -1.02 -0.03 0.00 -1.82 0.00 0.00 55.36 52.72 3isr s GLN 80 Cb -0.07 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 31.93 3isr s GLN 80 CO 0.12 -0.07 0.05 1.52 -1.32 0.00 0.00 175.29 175.59 3isr s TYR 81 N -3.01 0.46 0.04 9.60 -0.85 -0.76 -3.19 117.35 119.64 3isr s TYR 81 Ca -0.00 -0.95 0.09 0.00 -0.52 0.00 0.00 57.07 55.68 3isr s TYR 81 Cb 0.01 -0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 3isr s TYR 81 CO -0.06 -0.46 -0.25 0.15 -1.52 0.00 0.00 175.55 173.41 3isr s LYS 82 N -3.92 1.71 -0.25 -3.49 3.01 0.03 -1.73 119.74 115.10 3isr s LYS 82 Ca 0.09 -1.05 -0.08 0.00 -1.01 0.00 0.00 55.97 53.91 3isr s LYS 82 Cb 0.07 -1.86 -0.04 0.00 -1.01 0.00 0.00 37.83 34.99 3isr s LYS 82 CO -0.08 0.48 0.11 0.08 0.51 0.00 0.00 175.35 176.45 3isr s VAL 83 N -0.78 4.67 -0.11 3.17 1.01 -1.26 -0.80 120.40 126.29 3isr s VAL 83 Ca 0.11 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3isr s VAL 83 Cb -0.10 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 3isr s VAL 83 CO 0.02 0.32 -0.20 -0.63 0.00 0.00 0.00 175.10 174.61 3isr s ILE 84 N 1.55 2.37 0.22 2.22 1.01 0.12 -4.76 121.20 123.94 3isr s ILE 84 Ca 0.06 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 3isr s ILE 84 Cb -0.15 -1.94 -0.10 0.00 0.01 0.00 0.00 42.46 40.28 3isr s ILE 84 CO 0.06 0.55 1.45 -0.62 0.00 0.00 0.00 174.94 176.38 3isr s ASP 85 N 0.37 6.67 0.00 3.58 2.15 -1.26 -0.96 116.67 127.22 3isr s ASP 85 Ca -0.16 2.62 0.09 0.00 0.43 0.00 0.00 52.55 55.52 3isr s ASP 85 Cb -0.17 -2.61 0.12 0.00 -0.30 0.00 0.00 42.92 39.96 3isr s ASP 85 CO 0.07 -0.71 0.91 0.00 -0.17 0.00 0.00 175.17 175.27 3isr n GLN 86 N 2.78 1.06 -0.31 4.34 1.13 0.44 -4.73 117.38 122.09 3isr n GLN 86 Ca 0.08 -1.31 0.11 0.00 -1.94 0.00 0.00 57.00 53.94 3isr n GLN 86 Cb 0.40 -1.18 0.28 0.00 0.11 0.00 0.00 30.24 29.84 3isr n GLN 86 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3isr h ARG 87 N 1.69 0.52 -0.67 -1.09 3.08 -1.92 -0.96 114.38 115.03 3isr h ARG 87 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3isr h ARG 87 Cb 0.47 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3isr h ARG 87 CO 0.00 0.34 0.00 1.04 -1.07 0.00 0.00 179.97 180.28 3isr n GLN 88 N -4.94 3.47 -2.09 0.04 6.02 -1.26 -4.71 117.38 113.91 3isr n GLN 88 Ca 0.20 -2.18 -0.42 0.00 -0.01 0.00 0.00 57.00 54.60 3isr n GLN 88 Cb 0.56 -1.92 -0.00 0.00 1.02 0.00 0.00 30.24 29.90 3isr n GLN 88 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3isr n GLU 89 N 0.57 3.71 0.01 -1.09 -0.58 -0.37 -4.65 120.64 118.24 3isr n GLU 89 Ca 0.19 -3.27 0.11 0.00 -0.42 0.00 0.00 57.16 53.78 3isr n GLU 89 Cb 0.83 -2.91 -0.06 0.00 -0.57 0.00 0.00 31.44 28.73 3isr n GLU 89 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3isr n LEU 90 N 3.75 0.56 -3.92 -4.62 4.77 -1.26 0.50 117.00 116.78 3isr n LEU 90 Ca 0.49 -0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.23 3isr n LEU 90 Cb 0.33 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 3isr n LEU 90 CO 0.81 0.08 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.98 3isr s GLU 91 N -3.23 0.14 0.53 3.23 2.02 -1.26 -4.65 118.70 115.48 3isr s GLU 91 Ca 0.02 -0.25 -0.21 0.00 0.02 0.00 0.00 54.97 54.55 3isr s GLU 91 Cb 0.15 0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 3isr s GLU 91 CO 0.84 -0.01 1.28 0.95 0.02 0.00 0.00 175.26 178.34 3isr s THR 92 N -0.58 2.45 -0.09 3.63 -4.23 -1.26 -4.84 115.64 110.72 3isr s THR 92 Ca -0.06 0.32 -0.35 0.00 -1.18 0.00 0.00 61.69 60.42 3isr s THR 92 Cb -0.04 -3.16 -0.13 0.00 1.34 0.00 0.00 72.50 70.52 3isr s THR 92 CO -0.00 -0.02 1.82 0.52 -0.54 0.00 0.00 174.62 176.40 3isr n VAL 93 N -1.01 0.47 -1.70 2.29 0.31 -1.26 -4.87 118.33 112.55 3isr n VAL 93 Ca 0.10 -0.08 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 3isr n VAL 93 Cb 0.47 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 3isr n VAL 93 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3isr n PRO 94 N 6.04 2.06 -0.22 5.55 -0.02 -1.26 -4.84 135.00 142.31 3isr n PRO 94 Ca 0.22 0.73 0.08 0.00 -2.02 0.00 0.00 63.50 62.52 3isr n PRO 94 Cb 0.27 -2.38 0.36 0.00 -0.02 0.00 0.00 33.50 31.73 3isr n PRO 94 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3isr h VAL 95 N 2.33 0.95 0.00 -1.45 2.07 -1.97 -0.81 116.25 117.37 3isr h VAL 95 Ca -0.47 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3isr h VAL 95 Cb 1.29 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3isr h VAL 95 CO 0.61 0.14 -0.03 -0.37 0.02 0.00 0.00 177.57 177.94 3isr h VAL 96 N 0.74 0.19 -0.00 2.57 -1.51 -2.02 -2.79 116.25 113.43 3isr h VAL 96 Ca 0.36 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.62 3isr h VAL 96 Cb 0.43 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3isr h VAL 96 CO -0.14 0.03 -0.82 0.47 -1.23 0.00 0.00 177.57 175.87 3isr n ASP 97 N -3.30 1.24 -4.75 4.19 8.00 -0.32 -4.98 116.55 116.63 3isr n ASP 97 Ca -0.02 -1.09 -0.41 0.00 0.71 0.00 0.00 54.79 53.98 3isr n ASP 97 Cb 0.15 0.81 -0.02 0.00 -0.02 0.00 0.00 41.12 42.04 3isr n ASP 97 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3isr s LEU 98 N -2.86 4.41 0.31 0.64 1.43 -1.05 -4.96 118.68 116.59 3isr s LEU 98 Ca 0.11 2.58 -0.27 0.00 -1.03 0.00 0.00 54.13 55.52 3isr s LEU 98 Cb 0.17 -3.63 -0.14 0.00 0.03 0.00 0.00 46.19 42.62 3isr s LEU 98 CO 0.78 -0.60 0.94 0.47 0.23 0.00 0.00 176.35 178.17 3isr n ASP 99 N 2.02 0.95 -0.31 2.29 8.00 -1.26 -4.86 116.55 123.38 3isr n ASP 99 Ca 0.05 1.14 0.20 0.00 0.71 0.00 0.00 54.79 56.89 3isr n ASP 99 Cb 0.41 -1.26 0.48 0.00 -0.02 0.00 0.00 41.12 40.73 3isr n ASP 99 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3isr h GLY 100 N 1.77 1.25 0.09 0.44 0.00 -1.98 -1.38 103.07 103.26 3isr h GLY 100 Ca -0.39 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3isr h GLY 100 CO 0.59 -0.10 0.00 2.09 0.00 0.00 0.00 176.54 179.12 3isr n ASP 101 N -4.63 0.84 0.00 0.19 5.68 -1.26 -3.10 116.55 114.27 3isr n ASP 101 Ca 0.24 -1.37 -0.06 0.00 -0.50 0.00 0.00 54.79 53.10 3isr n ASP 101 Cb 0.79 -0.02 -0.12 0.00 -1.14 0.00 0.00 41.12 40.63 3isr n ASP 101 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3isr h ILE 102 N 1.25 0.85 -0.94 2.12 1.08 -1.60 -3.41 117.51 116.85 3isr h ILE 102 Ca 0.00 -2.61 0.11 0.00 -0.39 0.00 0.00 64.86 61.98 3isr h ILE 102 Cb 0.27 2.38 -0.08 0.00 -3.07 0.00 0.00 36.82 36.31 3isr h ILE 102 CO 0.00 0.48 0.57 0.40 -0.69 0.00 0.00 178.15 178.92 3isr h ILE 103 N 0.00 0.91 -0.00 -0.67 1.08 -1.54 -1.00 117.51 116.28 3isr h ILE 103 Ca -0.23 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3isr h ILE 103 Cb 1.89 -0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 3isr h ILE 103 CO 0.08 0.17 0.01 -0.65 -0.69 0.00 0.00 178.15 177.07 3isr h PRO 104 N 0.92 0.00 -0.09 2.37 0.11 -1.80 -1.17 132.00 132.34 3isr h PRO 104 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3isr h PRO 104 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3isr h PRO 104 CO -0.27 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.71 3isr n PHE 105 N -3.33 0.12 0.93 0.65 3.72 -0.38 -2.34 117.46 116.83 3isr n PHE 105 Ca -0.03 -0.06 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 3isr n PHE 105 Cb 0.09 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 38.85 3isr n PHE 105 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3isr n LEU 106 N -0.25 0.53 -4.92 4.37 4.77 -0.44 -1.74 117.00 119.32 3isr n LEU 106 Ca 0.12 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 3isr n LEU 106 Cb 0.16 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 3isr n LEU 106 CO 0.09 0.10 -0.11 -0.36 -1.33 0.00 0.00 177.39 175.79 3isr s PHE 107 N -3.03 3.51 0.73 -1.77 0.08 -0.99 -4.87 117.98 111.64 3isr s PHE 107 Ca 0.10 0.26 -0.14 0.00 0.12 0.00 0.00 56.93 57.27 3isr s PHE 107 Cb 0.17 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.89 3isr s PHE 107 CO 0.71 0.54 1.15 -2.14 -0.10 0.00 0.00 175.22 175.38 3isr s PRO 108 N -2.74 2.28 0.30 0.24 0.02 -1.26 -4.94 135.00 128.90 3isr s PRO 108 Ca 0.36 1.52 0.05 0.00 0.02 0.00 0.00 61.00 62.95 3isr s PRO 108 Cb -0.12 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 3isr s PRO 108 CO 0.28 -1.67 0.22 -1.54 -0.33 0.00 0.00 177.00 173.96 3isr s SER 109 N -2.48 1.34 0.21 2.53 1.04 -0.77 -5.00 113.70 110.57 3isr s SER 109 Ca 0.69 -1.65 -0.14 0.00 0.48 0.00 0.00 55.95 55.34 3isr s SER 109 Cb -0.24 0.49 0.23 0.00 0.10 0.00 0.00 66.02 66.61 3isr s SER 109 CO 0.46 -0.98 1.63 -0.09 0.98 0.00 0.00 173.24 175.24 3isr h ARG 110 N 2.25 0.01 -0.49 4.02 9.65 -1.96 -1.92 114.38 125.94 3isr h ARG 110 Ca -0.29 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3isr h ARG 110 Cb 1.24 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 3isr h ARG 110 CO 0.43 0.00 0.00 0.66 2.80 0.00 0.00 179.97 183.86 3isr n TYR 111 N -5.41 0.64 -3.44 2.20 4.01 -1.26 -4.66 117.16 109.23 3isr n TYR 111 Ca 0.07 -0.32 -0.27 0.00 -0.16 0.00 0.00 57.90 57.23 3isr n TYR 111 Cb 0.32 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.25 3isr n TYR 111 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3isr n GLN 113 N 2.35 3.47 0.25 0.00 3.00 -1.25 -1.84 117.38 123.35 3isr n GLN 113 Ca 0.27 -2.92 0.09 0.00 -0.01 0.00 0.00 57.00 54.43 3isr n GLN 113 Cb 0.46 -3.00 0.64 0.00 0.00 0.00 0.00 30.24 28.34 3isr n GLN 113 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3isr h SER 114 N 5.56 0.00 0.48 1.08 4.64 -1.89 -1.32 113.55 122.10 3isr h SER 114 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3isr h SER 114 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3isr h SER 114 CO 1.74 0.11 0.00 -0.90 -0.87 0.00 0.00 176.83 176.91 3isr n ASP 115 N -4.11 0.62 -0.69 4.97 5.75 -1.26 -2.02 116.55 119.81 3isr n ASP 115 Ca -0.02 0.69 0.12 0.00 -0.01 0.00 0.00 54.79 55.57 3isr n ASP 115 Cb 0.20 -0.81 0.14 0.00 -1.03 0.00 0.00 41.12 39.62 3isr n ASP 115 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3isr n LYS 116 N -2.23 1.75 -0.04 0.11 5.02 -0.50 -4.53 118.16 117.75 3isr n LYS 116 Ca 0.01 -1.39 0.02 0.00 -2.02 0.00 0.00 58.31 54.94 3isr n LYS 116 Cb 0.16 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3isr n LYS 116 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3isr n LEU 117 N 0.59 1.75 -0.04 -0.35 4.77 -0.86 -4.80 117.00 118.06 3isr n LEU 117 Ca 0.13 -1.96 -0.10 0.00 -0.03 0.00 0.00 56.01 54.05 3isr n LEU 117 Cb 0.51 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3isr n LEU 117 CO 0.21 0.48 0.94 1.56 -1.33 0.00 0.00 177.39 179.24 3isr h GLN 118 N 0.00 0.23 -0.41 3.23 4.20 -1.79 0.18 115.11 120.76 3isr h GLN 118 Ca 0.00 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3isr h GLN 118 Cb 0.72 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3isr h GLN 118 CO 0.00 0.15 -0.10 0.87 -0.67 0.00 0.00 178.83 179.08 3isr h LYS 119 N 0.24 0.80 -0.11 1.46 1.57 -1.91 -1.61 116.57 117.01 3isr h LYS 119 Ca 0.07 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3isr h LYS 119 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3isr h LYS 119 CO -0.03 0.92 0.06 1.25 -0.57 0.00 0.00 179.45 181.08 3isr h LEU 120 N 0.61 0.09 -0.77 2.94 6.46 -1.86 0.71 115.31 123.49 3isr h LEU 120 Ca 0.10 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 3isr h LEU 120 Cb 0.63 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 3isr h LEU 120 CO 0.04 0.07 0.44 0.00 -0.62 0.00 0.00 178.44 178.37 3isr h ALA 121 N 1.05 0.99 -0.31 1.25 0.00 -0.84 -0.59 119.26 120.81 3isr h ALA 121 Ca 0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3isr h ALA 121 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3isr h ALA 121 CO -0.02 0.48 -0.07 -0.92 0.00 0.00 0.00 179.25 178.72 3isr h TYR 122 N 1.06 0.67 -0.32 0.00 3.20 -1.11 0.31 116.97 120.78 3isr h TYR 122 Ca 0.27 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3isr h TYR 122 Cb 0.00 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3isr h TYR 122 CO -0.00 0.77 0.14 0.87 -1.64 0.00 0.00 178.16 178.30 3isr h LYS 123 N 0.37 0.45 0.13 1.82 1.57 -0.50 0.59 116.57 120.99 3isr h LYS 123 Ca 0.08 -0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.47 3isr h LYS 123 Cb 0.55 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3isr h LYS 123 CO 0.03 0.37 -1.81 0.93 -0.57 0.00 0.00 179.45 178.40 3isr h GLU 124 N 0.45 0.27 0.00 3.15 4.39 -0.94 -3.43 114.58 118.48 3isr h GLU 124 Ca 0.11 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.34 3isr h GLU 124 Cb 0.08 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3isr h GLU 124 CO -0.01 1.15 0.00 1.19 -1.16 0.00 0.00 179.01 180.18 3isr n PHE 125 N -3.46 0.00 0.38 4.33 3.72 0.08 -4.86 117.46 117.66 3isr n PHE 125 Ca -0.25 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.27 3isr n PHE 125 Cb 1.06 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 40.10 3isr n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3isr n GLY 126 N 0.23 -1.28 0.10 1.37 0.00 0.19 -2.25 105.19 103.55 3isr n GLY 126 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3isr n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3isr h LYS 127 N 0.00 0.00 -6.39 1.61 1.79 -1.89 -3.45 116.57 108.24 3isr h LYS 127 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 3isr h LYS 127 Cb 0.36 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.96 3isr h LYS 127 CO 0.00 0.00 1.02 0.42 -1.08 0.00 0.00 179.45 179.81 3isr s ILE 128 N -3.14 4.02 0.07 1.86 1.01 -0.96 -4.92 121.20 119.14 3isr s ILE 128 Ca 0.08 1.13 -0.17 0.00 0.00 0.00 0.00 60.65 61.69 3isr s ILE 128 Cb 0.12 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 3isr s ILE 128 CO 0.66 -0.53 1.33 1.05 0.00 0.00 0.00 174.94 177.45 3isr h GLU 129 N 9.86 0.59 -6.35 2.79 -0.00 -1.89 -3.44 114.58 116.13 3isr h GLU 129 Ca -0.27 -0.37 -0.55 0.00 -0.00 0.00 0.00 59.36 58.16 3isr h GLU 129 Cb 1.11 0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.88 3isr h GLU 129 CO 1.04 0.99 0.65 1.21 -0.00 0.00 0.00 179.01 182.90 3isr s ASN 130 N -6.55 7.08 0.11 3.06 3.84 -1.26 -4.55 114.94 116.66 3isr s ASN 130 Ca -0.13 1.83 -0.21 0.00 0.21 0.00 0.00 52.86 54.57 3isr s ASN 130 Cb 0.07 -2.56 -0.09 0.00 -0.55 0.00 0.00 41.25 38.12 3isr s ASN 130 CO 0.82 -0.54 1.75 0.58 -2.79 0.00 0.00 177.10 176.92 3isr h VAL 131 N 4.92 0.99 -0.52 -5.21 2.07 -0.21 -0.25 116.25 118.04 3isr h VAL 131 Ca -0.36 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3isr h VAL 131 Cb 1.17 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3isr h VAL 131 CO 0.86 0.02 0.30 0.22 0.02 0.00 0.00 177.57 179.00 3isr h TYR 132 N 0.13 0.56 -0.55 1.57 3.20 -1.88 -1.54 116.97 118.47 3isr h TYR 132 Ca 0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3isr h TYR 132 Cb 0.01 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 3isr h TYR 132 CO -0.09 0.31 0.37 0.77 -1.64 0.00 0.00 178.16 177.87 3isr h SER 133 N 0.59 0.62 -0.23 -2.11 0.02 -1.82 0.42 113.55 111.06 3isr h SER 133 Ca 0.22 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3isr h SER 133 Cb 0.06 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3isr h SER 133 CO -0.11 0.45 -0.08 0.50 -1.14 0.00 0.00 176.83 176.45 3isr h LYS 134 N 0.73 0.45 -0.43 3.45 3.64 -0.31 0.11 116.57 124.22 3isr h LYS 134 Ca 0.20 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3isr h LYS 134 Cb -0.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3isr h LYS 134 CO -0.05 0.71 -0.14 0.28 -2.27 0.00 0.00 179.45 177.99 3isr h VAL 135 N 0.18 1.26 -0.57 2.00 2.07 -0.90 -1.73 116.25 118.56 3isr h VAL 135 Ca 0.05 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.28 3isr h VAL 135 Cb 0.56 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3isr h VAL 135 CO 0.03 0.41 0.04 0.25 0.02 0.00 0.00 177.57 178.32 3isr h LEU 136 N 0.71 0.91 -0.76 2.57 5.85 -0.74 -1.21 115.31 122.65 3isr h LEU 136 Ca 0.11 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 3isr h LEU 136 Cb 0.63 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3isr h LEU 136 CO 0.04 0.95 0.25 0.00 -0.34 0.00 0.00 178.44 179.34 3isr h ALA 137 N 1.16 0.99 -0.13 1.25 0.00 -0.50 0.15 119.26 122.18 3isr h ALA 137 Ca 0.17 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3isr h ALA 137 Cb 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3isr h ALA 137 CO 0.02 0.66 -0.09 0.82 0.00 0.00 0.00 179.25 180.66 3isr h ILE 138 N 1.12 0.73 -0.70 0.00 2.04 -0.98 0.29 117.51 120.01 3isr h ILE 138 Ca 0.25 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.04 3isr h ILE 138 Cb 0.29 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3isr h ILE 138 CO -0.01 0.00 0.20 0.74 0.00 0.00 0.00 178.15 179.08 3isr h THR 139 N -0.10 1.26 -0.25 -0.27 2.02 -0.83 -0.91 112.91 113.82 3isr h THR 139 Ca 0.08 -0.92 -0.14 0.00 0.77 0.00 0.00 66.41 66.20 3isr h THR 139 Cb 0.21 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3isr h THR 139 CO -0.19 0.36 -0.43 0.44 0.37 0.00 0.00 175.52 176.07 3isr h ASP 140 N 1.04 0.66 -0.63 4.18 3.32 -0.47 -1.75 116.42 122.77 3isr h ASP 140 Ca 0.22 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3isr h ASP 140 Cb 0.33 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3isr h ASP 140 CO -0.00 1.00 0.26 -0.25 -1.72 0.00 0.00 179.24 178.53 3isr h TRP 141 N 0.51 0.95 -0.09 4.55 7.01 0.07 -1.06 115.95 127.89 3isr h TRP 141 Ca 0.04 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 3isr h TRP 141 Cb 0.95 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.72 3isr h TRP 141 CO 0.04 0.75 0.03 0.82 -2.79 0.00 0.00 178.44 177.29 3isr h ILE 142 N 0.88 1.16 -0.65 2.65 2.04 -1.06 -1.21 117.51 121.32 3isr h ILE 142 Ca 0.21 -0.49 0.11 0.00 1.00 0.00 0.00 64.86 65.69 3isr h ILE 142 Cb 0.19 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3isr h ILE 142 CO -0.02 0.14 0.24 0.22 0.00 0.00 0.00 178.15 178.73 3isr h TYR 143 N -0.03 0.41 0.00 1.37 3.20 -1.10 -1.01 116.97 119.81 3isr h TYR 143 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3isr h TYR 143 Cb 0.20 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3isr h TYR 143 CO -0.01 0.08 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.57 3isr h ASN 144 N 0.41 0.00 0.00 -2.11 -0.26 -0.95 -3.37 115.58 109.30 3isr h ASN 144 Ca 0.34 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 3isr h ASN 144 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 3isr h ASN 144 CO -0.34 0.01 0.00 0.59 -1.06 0.00 0.00 177.43 176.63 3isr n ASN 145 N -2.54 0.37 -4.20 5.81 4.13 -0.48 -4.97 115.26 113.38 3isr n ASN 145 Ca 0.05 -0.68 -0.32 0.00 1.68 0.00 0.00 54.58 55.31 3isr n ASN 145 Cb 0.47 0.43 -0.17 0.00 -1.54 0.00 0.00 39.78 38.97 3isr n ASN 145 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3isr s VAL 146 N -0.43 2.07 0.23 2.41 1.01 -0.40 -4.80 120.40 120.49 3isr s VAL 146 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 3isr s VAL 146 Cb 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 3isr s VAL 146 CO 0.00 0.56 0.90 -1.61 0.00 0.00 0.00 175.10 174.94 3isr s GLU 147 N 0.52 4.75 -0.53 2.72 2.02 0.24 -4.75 118.70 123.68 3isr s GLU 147 Ca -0.14 1.38 -0.23 0.00 0.02 0.00 0.00 54.97 56.00 3isr s GLU 147 Cb -0.17 -3.22 0.04 0.00 0.10 0.00 0.00 34.13 30.88 3isr s GLU 147 CO 0.05 0.51 0.86 -0.47 0.02 0.00 0.00 175.26 176.22 3isr s TYR 148 N -1.22 2.87 -0.20 1.61 5.04 -1.26 -1.59 117.35 122.60 3isr s TYR 148 Ca 0.41 -0.10 -0.03 0.00 -2.44 0.00 0.00 57.07 54.91 3isr s TYR 148 Cb -0.24 -3.92 0.06 0.00 0.35 0.00 0.00 41.96 38.21 3isr s TYR 148 CO 0.30 -1.25 0.03 0.42 -1.34 0.00 0.00 175.55 173.71 3isr s ILE 149 N 3.61 0.56 0.21 3.14 1.01 -0.48 -4.93 121.20 124.31 3isr s ILE 149 Ca 0.27 -0.59 -0.32 0.00 0.00 0.00 0.00 60.65 60.01 3isr s ILE 149 Cb -0.14 -1.07 -0.14 0.00 0.01 0.00 0.00 42.46 41.12 3isr s ILE 149 CO 0.18 -0.22 1.36 -0.24 0.00 0.00 0.00 174.94 176.03 3isr n SER 150 N 5.04 2.40 0.00 3.58 2.88 -1.26 -2.66 113.62 123.59 3isr n SER 150 Ca -0.09 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 3isr n SER 150 Cb 0.47 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3isr n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3isr n GLY 151 N 2.29 0.45 0.01 0.46 0.00 -1.26 -4.90 105.19 102.24 3isr n GLY 151 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3isr n GLY 151 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3isr n SER 152 N -0.16 0.20 -3.89 1.61 3.41 -1.09 -4.93 113.62 108.78 3isr n SER 152 Ca 0.00 0.15 -0.16 0.00 -0.26 0.00 0.00 58.87 58.61 3isr n SER 152 Cb 0.08 -0.21 -0.09 0.00 -0.26 0.00 0.00 64.21 63.73 3isr n SER 152 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3isr s THR 153 N -2.95 0.07 0.05 6.66 -4.23 -1.26 -4.92 115.64 109.06 3isr s THR 153 Ca 0.14 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 3isr s THR 153 Cb 0.19 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 3isr s THR 153 CO 0.58 0.00 0.05 -0.46 -0.54 0.00 0.00 174.62 174.25 3isr n ASN 154 N -0.81 -0.13 0.10 3.99 0.23 -1.26 -5.03 115.26 112.34 3isr n ASN 154 Ca 0.04 -1.33 0.11 0.00 -0.53 0.00 0.00 54.58 52.86 3isr n ASN 154 Cb 0.65 0.29 0.44 0.00 -2.08 0.00 0.00 39.78 39.08 3isr n ASN 154 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3isr n SER 155 N -2.63 0.50 0.12 0.53 3.41 -1.26 -1.83 113.62 112.45 3isr n SER 155 Ca 0.01 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3isr n SER 155 Cb 0.09 -0.73 0.17 0.00 -0.26 0.00 0.00 64.21 63.49 3isr n SER 155 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3isr h GLN 156 N 0.00 0.00 -6.78 4.33 4.20 -2.04 -3.47 115.11 111.35 3isr h GLN 156 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3isr h GLN 156 Cb 0.34 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.18 3isr h GLN 156 CO 0.00 0.00 0.78 0.99 -0.67 0.00 0.00 178.83 179.93 3isr s THR 157 N -3.21 2.51 0.40 -0.54 2.01 -0.76 -5.02 115.64 111.02 3isr s THR 157 Ca 0.06 0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.55 3isr s THR 157 Cb 0.10 -3.28 -0.07 0.00 0.01 0.00 0.00 72.50 69.26 3isr s THR 157 CO 0.70 0.07 0.02 -0.94 -0.69 0.00 0.00 174.62 173.79 3isr s SER 158 N 0.30 3.52 0.28 3.53 1.04 -1.26 -4.94 113.70 116.17 3isr s SER 158 Ca 0.59 -1.40 0.02 0.00 0.48 0.00 0.00 55.95 55.63 3isr s SER 158 Cb -0.43 -0.22 0.61 0.00 0.10 0.00 0.00 66.02 66.07 3isr s SER 158 CO 0.46 -0.53 1.78 0.00 0.98 0.00 0.00 173.24 175.93 3isr h ALA 159 N 1.82 1.46 -0.40 5.32 0.00 -1.32 -0.99 119.26 125.15 3isr h ALA 159 Ca -0.43 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3isr h ALA 159 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3isr h ALA 159 CO 0.77 -0.01 0.21 0.35 0.00 0.00 0.00 179.25 180.57 3isr h PHE 160 N 0.75 0.53 -0.11 0.00 3.57 -1.91 -1.85 116.94 117.92 3isr h PHE 160 Ca 0.51 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.95 3isr h PHE 160 Cb 0.70 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 3isr h PHE 160 CO -0.04 0.38 -0.14 -0.44 -2.23 0.00 0.00 178.31 175.84 3isr h ASP 161 N 0.55 0.32 0.29 0.41 3.32 -1.61 -3.34 116.42 116.35 3isr h ASP 161 Ca 0.14 -0.51 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 3isr h ASP 161 Cb 0.03 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3isr h ASP 161 CO -0.02 0.76 -0.29 0.74 -1.72 0.00 0.00 179.24 178.71 3isr h THR 162 N -0.12 1.21 0.00 0.35 2.02 -0.83 -0.01 112.91 115.54 3isr h THR 162 Ca 0.01 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 3isr h THR 162 Cb 0.69 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 3isr h THR 162 CO 0.03 0.29 -0.09 -0.29 0.37 0.00 0.00 175.52 175.83 3isr h ILE 163 N 0.01 0.63 0.00 3.11 6.09 -1.47 -0.21 117.51 125.67 3isr h ILE 163 Ca -0.00 -0.39 -0.27 0.00 -1.37 0.00 0.00 64.86 62.83 3isr h ILE 163 Cb 0.53 1.24 -0.05 0.00 0.47 0.00 0.00 36.82 39.01 3isr h ILE 163 CO 0.04 0.09 -2.01 0.35 -3.07 0.00 0.00 178.15 173.55 3isr n THR 164 N -3.79 1.01 0.04 2.19 -2.24 -0.82 -4.62 114.28 106.05 3isr n THR 164 Ca -0.02 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 3isr n THR 164 Cb 0.19 -0.74 0.04 0.00 -2.10 0.00 0.00 70.33 67.72 3isr n THR 164 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3isr h GLU 165 N 0.00 0.45 -1.99 -0.78 5.08 -0.89 -3.47 114.58 112.98 3isr h GLU 165 Ca -0.40 -0.34 -0.35 0.00 -1.00 0.00 0.00 59.36 57.27 3isr h GLU 165 Cb 1.84 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 31.09 3isr h GLU 165 CO 0.00 0.96 -0.41 0.54 -1.00 0.00 0.00 179.01 179.10 3isr n ARG 166 N -3.89 -1.34 -3.84 2.33 5.12 -0.10 -4.98 116.66 109.96 3isr n ARG 166 Ca -0.04 0.93 -0.12 0.00 -1.93 0.00 0.00 57.85 56.69 3isr n ARG 166 Cb 0.67 -5.33 -0.10 0.00 -1.16 0.00 0.00 32.46 26.53 3isr n ARG 166 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3isr s ALA 167 N -2.81 -0.42 0.00 7.54 0.00 -1.26 -0.59 121.76 124.22 3isr s ALA 167 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3isr s ALA 167 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3isr s ALA 167 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3isr n GLY 168 N 1.92 -1.36 1.82 0.00 0.00 -0.62 -4.86 105.19 102.09 3isr n GLY 168 Ca -0.19 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 3isr n GLY 168 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3isr n VAL 169 N 1.55 0.00 -0.34 1.61 0.24 -1.26 -1.38 118.33 118.75 3isr n VAL 169 Ca 0.00 -1.18 0.04 0.00 -2.04 0.00 0.00 64.34 61.16 3isr n VAL 169 Cb 0.00 0.17 0.21 0.00 -1.47 0.00 0.00 33.84 32.75 3isr n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3isr h ARG 171 N 1.09 0.73 -0.07 0.00 2.43 -1.97 0.12 114.38 116.72 3isr h ARG 171 Ca 0.42 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.33 3isr h ARG 171 Cb 0.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3isr h ARG 171 CO -0.17 0.49 -0.82 -0.44 -1.51 0.00 0.00 179.97 177.52 3isr h ASP 172 N 0.76 0.64 -0.74 -3.80 3.32 -0.85 -1.53 116.42 114.21 3isr h ASP 172 Ca 0.42 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3isr h ASP 172 Cb 0.44 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3isr h ASP 172 CO -0.28 1.22 0.34 -0.26 -1.72 0.00 0.00 179.24 178.55 3isr h PHE 173 N 0.33 1.09 0.02 4.55 -1.00 -0.52 -1.52 116.94 119.91 3isr h PHE 173 Ca -0.06 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.66 3isr h PHE 173 Cb 1.43 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 40.66 3isr h PHE 173 CO 0.06 0.81 -0.01 0.00 -1.61 0.00 0.00 178.31 177.56 3isr h ALA 174 N 1.17 -0.03 -1.00 2.45 0.00 -0.72 -2.07 119.26 119.06 3isr h ALA 174 Ca 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3isr h ALA 174 Cb 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3isr h ALA 174 CO -0.03 -0.43 0.66 0.45 0.00 0.00 0.00 179.25 179.90 3isr h HIS 175 N -0.20 1.24 -0.49 0.00 3.86 -1.17 -1.68 115.15 116.70 3isr h HIS 175 Ca -0.00 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 3isr h HIS 175 Cb 0.19 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 3isr h HIS 175 CO -0.02 0.73 -0.18 1.25 0.86 0.00 0.00 177.93 180.57 3isr h LEU 176 N 1.29 1.01 -0.65 2.43 5.85 -1.21 -1.10 115.31 122.92 3isr h LEU 176 Ca 0.39 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3isr h LEU 176 Cb -0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 3isr h LEU 176 CO -0.11 1.16 0.33 1.23 -0.34 0.00 0.00 178.44 180.71 3isr h GLY 177 N 0.85 0.98 0.90 3.75 0.00 -1.02 -1.61 103.07 106.92 3isr h GLY 177 Ca 0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3isr h GLY 177 CO 0.06 0.44 0.00 -2.22 0.00 0.00 0.00 176.54 174.82 3isr h ILE 178 N 0.89 1.08 -0.64 2.60 2.04 -1.18 -0.93 117.51 121.36 3isr h ILE 178 Ca 0.23 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3isr h ILE 178 Cb 0.08 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3isr h ILE 178 CO -0.03 0.06 0.42 0.00 0.00 0.00 0.00 178.15 178.59 3isr h ALA 179 N 0.90 0.81 -0.57 1.87 0.00 -1.00 -0.96 119.26 120.31 3isr h ALA 179 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3isr h ALA 179 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3isr h ALA 179 CO -0.00 0.24 0.00 -0.07 0.00 0.00 0.00 179.25 179.42 3isr h LEU 180 N 0.86 0.97 0.28 0.00 3.38 -1.18 -0.62 115.31 119.01 3isr h LEU 180 Ca 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3isr h LEU 180 Cb -0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 3isr h LEU 180 CO -0.05 1.02 -0.16 0.00 0.09 0.00 0.00 178.44 179.35 3isr h ARG 182 N -0.41 0.42 0.00 0.00 3.08 -1.04 -0.70 114.38 115.73 3isr h ARG 182 Ca -0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3isr h ARG 182 Cb 0.33 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3isr h ARG 182 CO 0.05 0.32 -0.11 0.00 -1.07 0.00 0.00 179.97 179.16 3isr h ALA 183 N 1.75 1.43 -0.56 0.04 0.00 -0.94 -1.31 119.26 119.67 3isr h ALA 183 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3isr h ALA 183 Cb 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3isr h ALA 183 CO -0.02 0.13 0.01 1.28 0.00 0.00 0.00 179.25 180.65 3isr n LEU 184 N -3.84 5.61 -3.25 0.00 4.77 -0.38 -4.64 117.00 115.27 3isr n LEU 184 Ca -0.02 -2.85 -0.23 0.00 -0.03 0.00 0.00 56.01 52.88 3isr n LEU 184 Cb 0.20 -0.68 0.05 0.00 -2.33 0.00 0.00 43.42 40.67 3isr n LEU 184 CO 0.31 0.62 0.11 -1.20 -1.33 0.00 0.00 177.39 175.89 3isr n SER 185 N 0.59 -6.26 -4.26 -1.43 7.64 -0.49 -5.01 113.62 104.39 3isr n SER 185 Ca 0.27 -0.39 -0.35 0.00 1.01 0.00 0.00 58.87 59.41 3isr n SER 185 Cb 1.18 -4.99 -0.14 0.00 -1.01 0.00 0.00 64.21 59.25 3isr n SER 185 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3isr s ILE 186 N -3.24 3.20 0.31 0.44 1.01 -0.54 -5.00 121.20 117.38 3isr s ILE 186 Ca 0.43 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3isr s ILE 186 Cb -0.19 -2.53 -0.12 0.00 0.01 0.00 0.00 42.46 39.63 3isr s ILE 186 CO 0.53 0.31 1.54 -2.65 0.00 0.00 0.00 174.94 174.66 3isr n PRO 187 N 4.75 2.63 -3.79 2.79 -0.02 -1.26 -2.86 135.00 137.24 3isr n PRO 187 Ca -0.17 0.93 -0.13 0.00 -2.02 0.00 0.00 63.50 62.11 3isr n PRO 187 Cb 0.49 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.19 3isr n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3isr s ALA 188 N -0.36 -0.67 0.05 3.55 0.00 -0.71 -0.93 121.76 122.69 3isr s ALA 188 Ca 0.61 0.36 -0.00 0.00 0.00 0.00 0.00 51.96 52.92 3isr s ALA 188 Cb -0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3isr s ALA 188 CO 0.53 -0.22 -0.04 -0.98 0.00 0.00 0.00 175.76 175.06 3isr s ARG 189 N -0.94 0.55 0.22 0.00 1.70 -0.03 -4.76 118.95 115.68 3isr s ARG 189 Ca -0.10 -1.05 -0.27 0.00 -0.47 0.00 0.00 55.73 53.84 3isr s ARG 189 Cb -0.05 0.12 -0.09 0.00 -0.57 0.00 0.00 34.95 34.36 3isr s ARG 189 CO 0.03 -0.08 0.87 -0.47 -1.08 0.00 0.00 175.30 174.57 3isr s TYR 190 N -3.11 3.91 -0.07 5.89 5.04 0.81 -1.31 117.35 128.52 3isr s TYR 190 Ca 0.00 1.78 0.01 0.00 -2.44 0.00 0.00 57.07 56.42 3isr s TYR 190 Cb 0.02 -2.88 0.02 0.00 0.35 0.00 0.00 41.96 39.47 3isr s TYR 190 CO -0.07 0.45 -0.09 0.12 -1.34 0.00 0.00 175.55 174.62 3isr s PHE 191 N -1.23 1.23 0.10 4.97 5.36 -0.34 -1.71 117.98 126.37 3isr s PHE 191 Ca 0.40 -0.46 0.10 0.00 -0.96 0.00 0.00 56.93 56.01 3isr s PHE 191 Cb -0.24 -0.97 -0.04 0.00 -0.34 0.00 0.00 43.02 41.44 3isr s PHE 191 CO 0.28 -0.29 -0.25 0.95 -1.46 0.00 0.00 175.22 174.46 3isr s THR 192 N 0.94 2.37 0.18 0.12 -4.23 -0.31 -0.53 115.64 114.18 3isr s THR 192 Ca -0.10 -1.58 -0.22 0.00 -1.18 0.00 0.00 61.69 58.61 3isr s THR 192 Cb -0.15 -2.02 0.08 0.00 1.34 0.00 0.00 72.50 71.75 3isr s THR 192 CO 0.01 0.18 1.04 0.61 -0.54 0.00 0.00 174.62 175.91 3isr n GLY 193 N 1.15 0.59 3.85 3.99 0.00 -0.59 -0.12 105.19 114.06 3isr n GLY 193 Ca -0.17 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 3isr n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3isr s TYR 194 N -2.11 3.38 -0.12 1.61 2.02 -0.17 -1.21 117.35 120.74 3isr s TYR 194 Ca 0.23 1.24 -0.03 0.00 -0.37 0.00 0.00 57.07 58.14 3isr s TYR 194 Cb -0.03 -2.56 0.05 0.00 -0.40 0.00 0.00 41.96 39.01 3isr s TYR 194 CO 0.05 0.02 0.06 0.00 -1.57 0.00 0.00 175.55 174.12 3isr s ALA 195 N -2.09 0.46 0.25 3.71 0.00 -1.26 -1.10 121.76 121.73 3isr s ALA 195 Ca 0.55 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 3isr s ALA 195 Cb -0.10 -0.87 -0.10 0.00 0.00 0.00 0.00 23.12 22.05 3isr s ALA 195 CO 0.19 -0.85 1.33 0.12 0.00 0.00 0.00 175.76 176.56 3isr s PHE 196 N 2.10 3.15 0.00 0.00 5.36 -0.16 -2.68 117.98 125.75 3isr s PHE 196 Ca 0.03 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 3isr s PHE 196 Cb -0.14 -3.67 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 3isr s PHE 196 CO -0.06 -2.03 0.00 1.63 -1.46 0.00 0.00 175.22 173.30 3isr n LYS 197 N 2.03 -0.03 -2.02 10.12 4.76 -1.26 -4.40 118.16 127.37 3isr n LYS 197 Ca 0.04 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.07 3isr n LYS 197 Cb 0.42 -2.93 -0.03 0.00 -1.84 0.00 0.00 35.03 30.65 3isr n LYS 197 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3isr s LEU 198 N 0.00 4.37 -0.11 -0.35 2.96 -1.09 -4.93 118.68 119.53 3isr s LEU 198 Ca 0.00 2.49 -0.04 0.00 -0.22 0.00 0.00 54.13 56.36 3isr s LEU 198 Cb 0.00 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.15 3isr s LEU 198 CO 0.00 -0.77 0.08 0.21 -1.32 0.00 0.00 176.35 174.54 3isr s ASN 199 N 1.33 1.76 0.48 3.68 3.84 -1.26 -2.61 114.94 122.14 3isr s ASN 199 Ca 0.69 -0.28 -0.20 0.00 0.21 0.00 0.00 52.86 53.28 3isr s ASN 199 Cb -0.41 -0.19 -0.09 0.00 -0.55 0.00 0.00 41.25 40.02 3isr s ASN 199 CO 0.31 -0.30 1.03 -2.16 -2.79 0.00 0.00 177.10 173.19 3isr s PRO 200 N 2.16 3.86 0.35 0.43 0.05 -1.26 -5.11 135.00 135.47 3isr s PRO 200 Ca 0.03 1.34 -0.29 0.00 0.05 0.00 0.00 61.00 62.14 3isr s PRO 200 Cb -0.14 -2.12 -0.11 0.00 0.05 0.00 0.00 34.50 32.19 3isr s PRO 200 CO -0.06 -0.38 1.46 -1.25 0.05 0.00 0.00 177.00 176.81 3isr s PRO 201 N -3.20 4.17 0.09 0.56 0.04 -1.07 -4.98 135.00 130.60 3isr s PRO 201 Ca 0.66 2.48 -0.27 0.00 0.04 0.00 0.00 61.00 63.91 3isr s PRO 201 Cb -0.16 -3.01 0.09 0.00 0.04 0.00 0.00 34.50 31.46 3isr s PRO 201 CO 0.19 -0.46 1.09 0.34 0.04 0.00 0.00 177.00 178.20 3isr s ASP 202 N -0.12 -0.12 0.56 6.66 -1.08 -1.26 -4.56 116.67 116.74 3isr s ASP 202 Ca 0.53 -0.32 -0.20 0.00 -0.52 0.00 0.00 52.55 52.05 3isr s ASP 202 Cb -0.45 0.37 -0.05 0.00 -1.46 0.00 0.00 42.92 41.33 3isr s ASP 202 CO 0.58 -0.68 1.19 -0.36 0.52 0.00 0.00 175.17 176.42 3isr s PHE 203 N -2.90 2.53 0.11 -5.34 0.08 -1.26 -4.45 117.98 106.75 3isr s PHE 203 Ca 0.14 1.52 0.09 0.00 0.12 0.00 0.00 56.93 58.79 3isr s PHE 203 Cb 0.01 -3.43 -0.04 0.00 -0.57 0.00 0.00 43.02 38.99 3isr s PHE 203 CO 0.00 -1.98 -0.22 -1.58 -0.10 0.00 0.00 175.22 171.34 3isr s HIS 204 N -1.62 1.91 -0.02 0.36 2.46 -0.35 -5.00 115.29 113.03 3isr s HIS 204 Ca 0.74 -0.41 0.04 0.00 0.47 0.00 0.00 55.06 55.90 3isr s HIS 204 Cb -0.29 -1.04 -0.01 0.00 -0.13 0.00 0.00 32.58 31.12 3isr s HIS 204 CO 0.32 0.25 -0.13 0.00 -2.47 0.00 0.00 174.74 172.71 3isr s ALA 205 N -1.20 1.11 0.00 1.58 0.00 -1.26 -1.55 121.76 120.44 3isr s ALA 205 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3isr s ALA 205 Cb -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3isr s ALA 205 CO 0.05 0.24 0.00 0.00 0.00 0.00 0.00 175.76 176.05 3isr s PHE 207 N -0.81 0.65 0.02 0.00 -0.12 -0.90 -1.19 117.98 115.64 3isr s PHE 207 Ca 0.00 -0.97 0.05 0.00 -0.05 0.00 0.00 56.93 55.96 3isr s PHE 207 Cb 0.00 -0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.21 3isr s PHE 207 CO 0.00 -0.77 -0.16 -1.21 -0.05 0.00 0.00 175.22 173.03 3isr s GLU 208 N -4.05 1.17 -0.02 1.99 2.02 -0.43 -0.63 118.70 118.75 3isr s GLU 208 Ca 0.26 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.60 3isr s GLU 208 Cb 0.03 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 33.06 3isr s GLU 208 CO 0.07 0.31 -0.20 0.00 0.02 0.00 0.00 175.26 175.46 3isr s ALA 209 N -0.63 2.45 -0.58 5.21 0.00 -0.38 -0.85 121.76 126.97 3isr s ALA 209 Ca 0.05 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 50.70 3isr s ALA 209 Cb -0.07 -0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.34 3isr s ALA 209 CO 0.01 0.55 0.93 -0.47 0.00 0.00 0.00 175.76 176.77 3isr s TYR 210 N -0.72 2.77 -0.16 0.00 5.04 -0.10 -0.44 117.35 123.73 3isr s TYR 210 Ca 0.11 -0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.52 3isr s TYR 210 Cb -0.10 -4.10 0.02 0.00 0.35 0.00 0.00 41.96 38.12 3isr s TYR 210 CO 0.01 -1.43 -0.18 0.42 -1.34 0.00 0.00 175.55 173.03 3isr s ILE 211 N 3.90 1.87 -1.45 3.14 1.01 0.46 -4.53 121.20 125.60 3isr s ILE 211 Ca 0.26 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 3isr s ILE 211 Cb -0.14 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.64 3isr s ILE 211 CO 0.16 0.51 0.43 0.61 0.00 0.00 0.00 174.94 176.65 3isr n GLY 212 N 4.63 -0.51 0.76 6.18 0.00 -1.26 -2.14 105.19 112.86 3isr n GLY 212 Ca -0.19 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3isr n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3isr n GLY 213 N -1.28 0.74 3.10 -0.02 0.00 -1.26 -5.06 105.19 101.41 3isr n GLY 213 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 3isr n GLY 213 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3isr s ASN 214 N -2.53 1.41 -0.29 1.61 -0.87 -0.91 -5.12 114.94 108.25 3isr s ASN 214 Ca 0.00 -0.41 -0.27 0.00 -1.57 0.00 0.00 52.86 50.61 3isr s ASN 214 Cb 0.00 -0.09 0.01 0.00 -0.02 0.00 0.00 41.25 41.15 3isr s ASN 214 CO 0.00 0.01 0.97 0.26 -2.57 0.00 0.00 177.10 175.77 3isr s TRP 215 N -0.79 3.23 -0.18 2.20 0.52 -1.26 -0.40 118.94 122.25 3isr s TRP 215 Ca 0.00 1.16 -0.04 0.00 0.02 0.00 0.00 56.10 57.24 3isr s TRP 215 Cb -0.07 -3.40 -0.02 0.00 -1.15 0.00 0.00 33.47 28.82 3isr s TRP 215 CO 0.01 -0.61 -0.02 0.42 0.02 0.00 0.00 176.95 176.77 3isr s ILE 216 N 3.28 3.87 0.37 2.03 -1.09 0.41 -4.19 121.20 125.88 3isr s ILE 216 Ca 0.41 -0.35 -0.26 0.00 -2.23 0.00 0.00 60.65 58.21 3isr s ILE 216 Cb -0.14 -2.73 -0.09 0.00 -1.58 0.00 0.00 42.46 37.93 3isr s ILE 216 CO 0.11 0.45 1.18 -0.51 -1.23 0.00 0.00 174.94 174.95 3isr s ILE 217 N 0.77 3.15 0.01 2.92 1.10 -0.50 -1.25 121.20 127.39 3isr s ILE 217 Ca -0.01 1.02 -0.04 0.00 -0.51 0.00 0.00 60.65 61.12 3isr s ILE 217 Cb -0.14 -3.60 -0.01 0.00 0.15 0.00 0.00 42.46 38.86 3isr s ILE 217 CO 0.02 0.15 0.07 -0.36 -2.11 0.00 0.00 174.94 172.71 3isr s PHE 218 N -1.33 0.11 -0.28 3.50 0.08 0.20 -4.70 117.98 115.56 3isr s PHE 218 Ca 0.53 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 57.34 3isr s PHE 218 Cb -0.32 -0.09 0.14 0.00 -0.57 0.00 0.00 43.02 42.17 3isr s PHE 218 CO 0.41 -0.22 0.32 0.34 -0.10 0.00 0.00 175.22 175.97 3isr s ASP 219 N -1.26 1.29 0.15 1.36 2.15 -1.26 -2.11 116.67 117.00 3isr s ASP 219 Ca -0.14 -0.58 0.20 0.00 0.43 0.00 0.00 52.55 52.47 3isr s ASP 219 Cb -0.08 0.66 0.83 0.00 -0.30 0.00 0.00 42.92 44.04 3isr s ASP 219 CO 0.00 -0.37 1.60 0.00 -0.17 0.00 0.00 175.17 176.24 3isr n ALA 220 N 5.32 1.65 0.14 3.66 0.00 -1.26 -2.43 120.51 127.59 3isr n ALA 220 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3isr n ALA 220 Cb 0.47 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.77 3isr n ALA 220 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3isr h THR 221 N 0.00 1.25 -2.21 0.00 1.35 -1.93 -3.29 112.91 108.08 3isr h THR 221 Ca 0.00 -2.14 -0.40 0.00 -0.55 0.00 0.00 66.41 63.32 3isr h THR 221 Cb 0.31 2.21 -0.08 0.00 -1.73 0.00 0.00 68.15 68.86 3isr h THR 221 CO 0.00 0.57 -0.45 0.54 -0.25 0.00 0.00 175.52 175.93 3isr n ARG 222 N -3.59 -1.61 0.17 4.72 1.74 -1.02 -4.89 116.66 112.18 3isr n ARG 222 Ca -0.00 1.06 0.12 0.00 -0.77 0.00 0.00 57.85 58.26 3isr n ARG 222 Cb 0.64 -5.60 0.19 0.00 -1.02 0.00 0.00 32.46 26.67 3isr n ARG 222 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3isr h LEU 223 N 0.00 0.00 -7.71 0.55 3.38 -1.91 -3.47 115.31 106.15 3isr h LEU 223 Ca -0.45 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.30 3isr h LEU 223 Cb 1.33 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.82 3isr h LEU 223 CO 0.58 0.01 -0.65 0.68 0.09 0.00 0.00 178.44 179.15 3isr s VAL 224 N -3.21 0.02 0.30 1.22 -7.23 -1.26 -4.64 120.40 105.60 3isr s VAL 224 Ca 0.06 -0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 59.80 3isr s VAL 224 Cb 0.08 -0.13 -0.11 0.00 0.56 0.00 0.00 36.38 36.78 3isr s VAL 224 CO 0.68 -0.08 1.52 -2.16 -0.31 0.00 0.00 175.10 174.75 3isr s PRO 225 N -0.22 4.17 0.44 4.82 0.04 -1.26 -4.87 135.00 138.11 3isr s PRO 225 Ca -0.03 2.49 0.20 0.00 0.04 0.00 0.00 61.00 63.71 3isr s PRO 225 Cb -0.02 -3.03 1.02 0.00 0.04 0.00 0.00 34.50 32.50 3isr s PRO 225 CO 0.00 -0.53 1.91 -0.07 0.04 0.00 0.00 177.00 178.35 3isr h LEU 226 N 4.42 0.00 -0.48 -3.56 3.38 -1.69 -1.68 115.31 115.70 3isr h LEU 226 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3isr h LEU 226 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3isr h LEU 226 CO 0.75 0.25 0.00 -0.46 0.09 0.00 0.00 178.44 179.07 3isr n ASN 227 N -3.77 0.73 -1.28 -0.43 6.94 -1.26 -3.78 115.26 112.41 3isr n ASN 227 Ca -0.01 -1.36 0.10 0.00 -0.02 0.00 0.00 54.58 53.28 3isr n ASN 227 Cb 0.36 -0.02 0.30 0.00 -2.36 0.00 0.00 39.78 38.05 3isr n ASN 227 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3isr n GLY 228 N 1.03 2.17 3.79 4.83 0.00 -0.63 -4.97 105.19 111.40 3isr n GLY 228 Ca 0.19 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 3isr n GLY 228 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3isr s LEU 229 N -1.22 4.39 -0.22 0.99 1.43 -1.25 -0.99 118.68 121.81 3isr s LEU 229 Ca 0.44 0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 54.35 3isr s LEU 229 Cb 0.25 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.93 3isr s LEU 229 CO 0.27 0.21 -0.08 -0.69 0.23 0.00 0.00 176.35 176.30 3isr s VAL 230 N -0.41 2.93 0.10 -1.59 1.01 -0.26 -4.98 120.40 117.20 3isr s VAL 230 Ca 0.23 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 3isr s VAL 230 Cb -0.15 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 3isr s VAL 230 CO 0.11 0.37 1.47 -0.75 0.00 0.00 0.00 175.10 176.30 3isr s LYS 231 N 1.39 4.27 -0.20 2.72 2.20 -1.26 -1.00 119.74 127.85 3isr s LYS 231 Ca 0.04 2.16 -0.16 0.00 -0.36 0.00 0.00 55.97 57.65 3isr s LYS 231 Cb -0.15 -3.34 -0.08 0.00 -1.51 0.00 0.00 37.83 32.75 3isr s LYS 231 CO -0.06 -0.55 -0.29 -0.89 -0.36 0.00 0.00 175.35 173.20 3isr n ILE 232 N 4.20 1.50 -3.83 5.43 5.41 0.83 -1.50 119.36 131.40 3isr n ILE 232 Ca 0.13 -0.01 -0.11 0.00 1.00 0.00 0.00 62.75 63.76 3isr n ILE 232 Cb 0.41 -2.20 -0.09 0.00 -0.71 0.00 0.00 39.64 37.05 3isr n ILE 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3isr s ALA 233 N -2.74 -0.46 0.21 -1.39 0.00 -1.06 -3.93 121.76 112.39 3isr s ALA 233 Ca -0.30 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 51.64 3isr s ALA 233 Cb 0.07 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 3isr s ALA 233 CO 0.43 -0.32 -0.20 0.95 0.00 0.00 0.00 175.76 176.62 3isr s THR 234 N -2.16 2.14 -0.01 0.00 -4.23 -0.80 -1.16 115.64 109.42 3isr s THR 234 Ca -0.08 -2.14 -0.07 0.00 -1.18 0.00 0.00 61.69 58.22 3isr s THR 234 Cb -0.03 -2.08 0.02 0.00 1.34 0.00 0.00 72.50 71.75 3isr s THR 234 CO -0.02 -0.33 0.33 0.61 -0.54 0.00 0.00 174.62 174.67 3isr n GLY 235 N -0.09 0.53 0.25 3.99 0.00 -0.69 -4.65 105.19 104.53 3isr n GLY 235 Ca -0.10 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 3isr n GLY 235 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3isr h ARG 236 N 0.00 0.83 0.00 1.61 3.08 -1.93 0.23 114.38 118.20 3isr h ARG 236 Ca -0.05 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.52 3isr h ARG 236 Cb 0.30 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3isr h ARG 236 CO 0.08 1.11 0.00 -0.40 -1.07 0.00 0.00 179.97 179.69 3isr n ASP 237 N -4.02 0.00 0.32 7.04 5.68 -1.26 -4.11 116.55 120.20 3isr n ASP 237 Ca -0.03 -0.97 0.21 0.00 -0.50 0.00 0.00 54.79 53.49 3isr n ASP 237 Cb 0.58 0.00 1.11 0.00 -1.14 0.00 0.00 41.12 41.67 3isr n ASP 237 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3isr h ALA 238 N 2.00 1.17 -0.38 2.12 0.00 -1.93 -1.10 119.26 121.15 3isr h ALA 238 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3isr h ALA 238 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3isr h ALA 238 CO 0.00 -0.04 0.26 0.00 0.00 0.00 0.00 179.25 179.46 3isr h ALA 239 N 1.93 2.02 -0.02 0.00 0.00 -1.98 -1.67 119.26 119.54 3isr h ALA 239 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3isr h ALA 239 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3isr h ALA 239 CO -0.00 -0.09 -0.07 -0.25 0.00 0.00 0.00 179.25 178.84 3isr n ASP 240 N -4.48 1.66 -2.77 0.00 8.00 -0.42 -4.59 116.55 113.96 3isr n ASP 240 Ca 0.05 -1.46 -0.01 0.00 0.71 0.00 0.00 54.79 54.08 3isr n ASP 240 Cb 0.26 0.05 0.08 0.00 -0.02 0.00 0.00 41.12 41.49 3isr n ASP 240 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3isr n ALA 241 N 0.19 2.72 -1.77 2.24 0.00 -0.65 -4.88 120.51 118.37 3isr n ALA 241 Ca 0.17 -2.01 -0.40 0.00 0.00 0.00 0.00 53.44 51.20 3isr n ALA 241 Cb 0.39 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 3isr n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isr s ALA 242 N -2.13 3.36 0.19 0.00 0.00 -1.09 -4.92 121.76 117.17 3isr s ALA 242 Ca 0.19 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 3isr s ALA 242 Cb 0.38 -3.42 0.14 0.00 0.00 0.00 0.00 23.12 20.22 3isr s ALA 242 CO -0.08 -0.51 1.83 0.28 0.00 0.00 0.00 175.76 177.28 3isr h VAL 243 N 2.79 1.07 -2.87 0.00 2.07 -1.91 -3.31 116.25 114.10 3isr h VAL 243 Ca -0.48 -0.25 -0.20 0.00 0.82 0.00 0.00 66.70 66.59 3isr h VAL 243 Cb 1.23 0.29 -0.32 0.00 -1.52 0.00 0.00 31.29 30.97 3isr h VAL 243 CO 0.65 0.13 -0.51 0.00 0.02 0.00 0.00 177.57 177.86 3isr s ALA 244 N -6.13 -0.60 -0.21 1.67 0.00 -1.26 -1.34 121.76 113.89 3isr s ALA 244 Ca -0.13 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 52.73 3isr s ALA 244 Cb 0.14 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3isr s ALA 244 CO 0.75 -0.55 0.10 -1.12 0.00 0.00 0.00 175.76 174.94 3isr s SER 245 N 2.19 5.76 -0.19 0.00 0.01 0.72 -4.96 113.70 117.23 3isr s SER 245 Ca -0.01 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.32 3isr s SER 245 Cb -0.12 -2.02 0.03 0.00 0.21 0.00 0.00 66.02 64.12 3isr s SER 245 CO -0.09 0.10 -0.18 -0.63 0.41 0.00 0.00 173.24 172.85 3isr s ILE 246 N 0.81 2.11 -0.56 1.44 1.01 -1.26 -0.80 121.20 123.96 3isr s ILE 246 Ca 0.05 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 3isr s ILE 246 Cb -0.13 -1.94 0.14 0.00 0.01 0.00 0.00 42.46 40.54 3isr s ILE 246 CO 0.02 0.45 0.40 -0.36 0.00 0.00 0.00 174.94 175.46 3isr s PHE 247 N 1.27 3.49 -5.00 3.97 0.40 0.02 -4.94 117.98 117.19 3isr s PHE 247 Ca 0.03 -2.33 0.00 0.00 -0.60 0.00 0.00 56.93 54.03 3isr s PHE 247 Cb -0.14 -3.36 0.00 0.00 0.51 0.00 0.00 43.02 40.03 3isr s PHE 247 CO -0.12 -0.93 0.00 0.41 0.70 0.00 0.00 175.22 175.28 3isr n GLY 248 N 4.19 0.69 2.84 4.36 0.00 -1.26 -1.00 105.19 115.01 3isr n GLY 248 Ca 0.02 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 3isr n GLY 248 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3isr s ASN 249 N -4.00 3.01 -0.00 1.61 0.01 -1.26 -5.04 114.94 109.27 3isr s ASN 249 Ca 0.00 -0.80 -0.28 0.00 -0.71 0.00 0.00 52.86 51.07 3isr s ASN 249 Cb 0.00 -0.83 0.08 0.00 0.41 0.00 0.00 41.25 40.91 3isr s ASN 249 CO 0.00 -0.24 0.72 0.00 -1.51 0.00 0.00 177.10 176.07 3isr s ALA 250 N 1.68 -1.75 0.01 0.60 0.00 -1.26 -2.87 121.76 118.16 3isr s ALA 250 Ca -0.01 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 3isr s ALA 250 Cb -0.17 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3isr s ALA 250 CO -0.07 -0.50 0.02 -1.54 0.00 0.00 0.00 175.76 173.66 3isr s SER 251 N -1.73 0.17 0.31 0.00 1.04 -0.81 -5.01 113.70 107.67 3isr s SER 251 Ca -0.05 -0.39 -0.27 0.00 0.48 0.00 0.00 55.95 55.72 3isr s SER 251 Cb -0.00 0.13 -0.09 0.00 0.10 0.00 0.00 66.02 66.15 3isr s SER 251 CO 0.01 -0.30 0.99 -0.94 0.98 0.00 0.00 173.24 173.98 3isr s SER 252 N -1.34 7.29 -0.01 7.02 1.04 -1.26 -1.41 113.70 125.03 3isr s SER 252 Ca -0.15 1.98 0.08 0.00 0.48 0.00 0.00 55.95 58.35 3isr s SER 252 Cb -0.09 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.32 3isr s SER 252 CO -0.00 -0.11 0.26 0.35 0.98 0.00 0.00 173.24 174.72 3isr n THR 253 N 0.78 0.00 -3.62 2.02 -2.24 0.23 -4.91 114.28 106.54 3isr n THR 253 Ca 0.01 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.48 3isr n THR 253 Cb 0.48 0.61 0.02 0.00 -2.10 0.00 0.00 70.33 69.35 3isr n THR 253 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3isr n ASN 254 N -1.53 -1.73 -3.64 3.42 2.85 -1.23 -5.00 115.26 108.40 3isr n ASN 254 Ca -0.00 -2.17 -0.05 0.00 -0.11 0.00 0.00 54.58 52.25 3isr n ASN 254 Cb 0.18 2.87 -0.07 0.00 1.24 0.00 0.00 39.78 44.00 3isr n ASN 254 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 3isr s HIS 256 N -3.68 -0.37 0.00 1.20 3.76 -0.23 -1.45 115.29 114.52 3isr s HIS 256 Ca 0.13 0.83 0.03 0.00 -0.15 0.00 0.00 55.06 55.89 3isr s HIS 256 Cb -0.04 0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.99 3isr s HIS 256 CO 0.09 -0.18 -0.09 0.08 -0.85 0.00 0.00 174.74 173.79 3isr s VAL 257 N 0.61 0.70 -0.06 -0.90 1.01 -1.26 -1.08 120.40 119.42 3isr s VAL 257 Ca -0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3isr s VAL 257 Cb -0.04 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.76 3isr s VAL 257 CO -0.11 0.14 0.25 -0.70 0.00 0.00 0.00 175.10 174.68 3isr s GLU 258 N -0.36 0.43 -0.04 2.72 2.12 0.75 -4.26 118.70 120.06 3isr s GLU 258 Ca 0.02 0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.42 3isr s GLU 258 Cb -0.04 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.58 3isr s GLU 258 CO -0.00 -0.09 0.07 0.00 -0.54 0.00 0.00 175.26 174.70 3isr s ALA 260 N 1.64 1.40 0.36 0.00 0.00 -0.06 -4.50 121.76 120.60 3isr s ALA 260 Ca -0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 3isr s ALA 260 Cb -0.12 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 3isr s ALA 260 CO -0.04 0.30 1.07 0.45 0.00 0.00 0.00 175.76 177.55 3isr s SER 261 N -0.20 6.89 0.00 0.00 0.15 -1.26 -0.49 113.70 118.80 3isr s SER 261 Ca 0.02 2.13 0.15 0.00 0.70 0.00 0.00 55.95 58.96 3isr s SER 261 Cb -0.08 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.64 3isr s SER 261 CO 0.00 -0.40 0.85 0.18 1.20 0.00 0.00 173.24 175.07 3isr n LEU 262 N 0.34 1.68 -4.76 3.45 4.77 -0.55 -4.83 117.00 117.09 3isr n LEU 262 Ca 0.03 -0.80 -0.39 0.00 -0.03 0.00 0.00 56.01 54.81 3isr n LEU 262 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 3isr n LEU 262 CO 0.48 0.32 0.62 -1.81 -1.33 0.00 0.00 177.39 175.67 3isr s ASP 263 N -1.72 7.57 0.03 -1.43 1.01 -1.26 -4.98 116.67 115.89 3isr s ASP 263 Ca 0.13 1.88 -0.24 0.00 0.71 0.00 0.00 52.55 55.04 3isr s ASP 263 Cb 0.12 -2.59 -0.17 0.00 1.01 0.00 0.00 42.92 41.30 3isr s ASP 263 CO 0.35 0.14 1.45 0.74 0.21 0.00 0.00 175.17 178.05 3isr h THR 264 N 3.10 1.25 -2.98 -1.27 2.02 -1.98 -3.38 112.91 109.67 3isr h THR 264 Ca -0.46 -0.78 -0.64 0.00 0.77 0.00 0.00 66.41 65.30 3isr h THR 264 Cb 1.20 1.70 -0.40 0.00 -1.74 0.00 0.00 68.15 68.91 3isr h THR 264 CO 0.67 0.21 -0.41 0.47 0.37 0.00 0.00 175.52 176.84 3isr n ASP 265 N -4.89 3.58 -4.70 4.18 8.00 -1.26 -5.07 116.55 116.40 3isr n ASP 265 Ca -0.07 -3.24 -0.42 0.00 0.71 0.00 0.00 54.79 51.76 3isr n ASP 265 Cb 0.19 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 3isr n ASP 265 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3isr s PHE 266 N -1.68 3.13 -0.21 1.24 5.36 -1.26 -5.04 117.98 119.53 3isr s PHE 266 Ca 0.28 1.04 0.02 0.00 -0.96 0.00 0.00 56.93 57.31 3isr s PHE 266 Cb -0.01 -3.56 0.04 0.00 -0.34 0.00 0.00 43.02 39.15 3isr s PHE 266 CO -0.12 -1.92 -0.16 0.95 -1.46 0.00 0.00 175.22 172.50 3isr s THR 267 N 1.80 2.09 0.47 0.12 -4.23 -1.26 -5.11 115.64 109.51 3isr s THR 267 Ca 0.61 -1.22 -0.24 0.00 -1.18 0.00 0.00 61.69 59.66 3isr s THR 267 Cb -0.31 -2.02 -0.08 0.00 1.34 0.00 0.00 72.50 71.44 3isr s THR 267 CO 0.27 0.30 1.31 -2.65 -0.54 0.00 0.00 174.62 173.32 3isr n PRO 268 N 4.55 1.89 -4.80 3.99 -0.02 -1.26 -5.01 135.00 134.33 3isr n PRO 268 Ca -0.18 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.65 3isr n PRO 268 Cb 0.47 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 3isr n PRO 268 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3isr s PHE 269 N -1.24 2.79 0.09 6.00 5.36 -1.26 -5.03 117.98 124.68 3isr s PHE 269 Ca 0.65 -0.71 0.03 0.00 -0.96 0.00 0.00 56.93 55.94 3isr s PHE 269 Cb -0.46 -1.83 -0.04 0.00 -0.34 0.00 0.00 43.02 40.35 3isr s PHE 269 CO 0.55 -0.25 -0.09 -1.58 -1.46 0.00 0.00 175.22 172.40 3isr s TRP 270 N 0.38 0.94 0.58 10.12 0.52 -1.26 -1.57 118.94 128.65 3isr s TRP 270 Ca -0.11 -0.70 -0.10 0.00 0.02 0.00 0.00 56.10 55.20 3isr s TRP 270 Cb -0.16 -0.53 -0.04 0.00 -1.15 0.00 0.00 33.47 31.59 3isr s TRP 270 CO 0.06 -0.06 0.97 0.71 0.02 0.00 0.00 176.95 178.65 3isr s TYR 271 N -2.59 3.60 -0.13 -1.98 2.02 -1.26 -5.08 117.35 111.93 3isr s TYR 271 Ca 0.04 1.19 -0.11 0.00 -0.37 0.00 0.00 57.07 57.83 3isr s TYR 271 Cb -0.02 -2.62 0.04 0.00 -0.40 0.00 0.00 41.96 38.96 3isr s TYR 271 CO -0.01 -0.57 0.35 0.34 -1.57 0.00 0.00 175.55 174.08 3isr s ASP 272 N -4.08 -0.38 0.32 2.29 -1.08 -1.26 -5.05 116.67 107.43 3isr s ASP 272 Ca 0.53 0.71 0.11 0.00 -0.52 0.00 0.00 52.55 53.38 3isr s ASP 272 Cb -0.11 0.68 0.97 0.00 -1.46 0.00 0.00 42.92 43.00 3isr s ASP 272 CO 0.50 -0.14 1.66 0.50 0.52 0.00 0.00 175.17 178.21 3isr h LYS 273 N 6.06 0.28 -0.00 4.34 3.64 -1.98 -0.06 116.57 128.85 3isr h LYS 273 Ca -0.30 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3isr h LYS 273 Cb 1.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3isr h LYS 273 CO 0.30 0.19 -0.01 0.09 -2.27 0.00 0.00 179.45 177.75 3isr n ASN 274 N -5.11 0.06 -4.05 4.20 3.02 -1.26 -4.73 115.26 107.39 3isr n ASN 274 Ca 0.29 -0.69 -0.31 0.00 -0.03 0.00 0.00 54.58 53.83 3isr n ASN 274 Cb 0.89 -0.10 -0.16 0.00 -0.61 0.00 0.00 39.78 39.79 3isr n ASN 274 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3isr s SER 275 N -2.22 2.85 -1.25 6.41 0.15 -0.04 -5.04 113.70 114.56 3isr s SER 275 Ca 0.40 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.44 3isr s SER 275 Cb 0.21 -1.27 0.18 0.00 -1.71 0.00 0.00 66.02 63.43 3isr s SER 275 CO 0.41 -0.04 2.13 0.18 1.20 0.00 0.00 173.24 177.11 3isr n LEU 276 N 4.72 7.56 -4.05 3.45 4.77 -1.26 -4.55 117.00 127.64 3isr n LEU 276 Ca -0.18 -4.95 -0.27 0.00 -0.03 0.00 0.00 56.01 50.58 3isr n LEU 276 Cb 0.50 -1.35 -0.17 0.00 -2.33 0.00 0.00 43.42 40.08 3isr n LEU 276 CO 0.23 1.90 -0.49 -0.54 -1.33 0.00 0.00 177.39 177.16 3isr s LYS 277 N -1.49 2.02 0.01 3.23 -0.14 -1.26 -0.42 119.74 121.68 3isr s LYS 277 Ca 0.47 -0.51 0.03 0.00 -1.36 0.00 0.00 55.97 54.61 3isr s LYS 277 Cb 0.16 -1.70 -0.03 0.00 -1.68 0.00 0.00 37.83 34.58 3isr s LYS 277 CO -0.07 -0.01 -0.05 0.20 -0.76 0.00 0.00 175.35 174.66 3isr s GLY 278 N 0.84 1.78 -0.17 -3.33 0.00 -0.14 -4.91 107.32 101.38 3isr s GLY 278 Ca -0.10 -1.01 -0.09 0.00 0.00 0.00 0.00 44.72 43.51 3isr s GLY 278 CO 0.01 -0.88 0.13 -2.27 0.00 0.00 0.00 173.10 170.09 3isr s LEU 279 N -1.47 4.25 -0.04 0.66 0.20 -1.26 0.16 118.68 121.18 3isr s LEU 279 Ca 0.18 0.30 0.01 0.00 0.69 0.00 0.00 54.13 55.31 3isr s LEU 279 Cb -0.11 -2.08 0.02 0.00 -0.43 0.00 0.00 46.19 43.59 3isr s LEU 279 CO 0.08 0.25 -0.06 -0.55 -0.29 0.00 0.00 176.35 175.78 3isr s SER 280 N -0.07 1.06 -0.66 3.68 0.15 0.02 -1.41 113.70 116.46 3isr s SER 280 Ca 0.10 -0.16 -0.24 0.00 0.70 0.00 0.00 55.95 56.35 3isr s SER 280 Cb -0.11 -0.47 0.06 0.00 -1.71 0.00 0.00 66.02 63.78 3isr s SER 280 CO -0.00 -0.02 1.04 -0.36 1.20 0.00 0.00 173.24 175.10 3isr s PHE 281 N 0.74 2.60 0.00 3.44 0.08 -1.26 -0.79 117.98 122.78 3isr s PHE 281 Ca -0.11 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.61 3isr s PHE 281 Cb -0.14 -4.34 0.00 0.00 -0.57 0.00 0.00 43.02 37.97 3isr s PHE 281 CO 0.01 -1.71 0.00 0.00 -0.10 0.00 0.00 175.22 173.42