#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfy s ILE 4 N 0.00 3.64 -0.07 0.55 1.01 -0.24 -1.06 121.20 125.02 3dfy s ILE 4 Ca 0.00 1.10 0.13 0.00 0.00 0.00 0.00 60.65 61.88 3dfy s ILE 4 Cb 0.00 -3.71 -0.19 0.00 0.01 0.00 0.00 42.46 38.57 3dfy s ILE 4 CO 0.00 0.04 0.30 1.33 0.00 0.00 0.00 174.94 176.61 3dfy n VAL 5 N 4.35 0.00 -3.54 2.92 0.24 0.24 0.05 118.33 122.59 3dfy n VAL 5 Ca 0.12 -0.28 -0.17 0.00 -2.04 0.00 0.00 64.34 61.97 3dfy n VAL 5 Cb 0.44 0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 33.04 3dfy n VAL 5 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3dfy s ASN 6 N -3.31 -0.67 -0.05 -1.34 2.47 -1.04 -4.92 114.94 106.08 3dfy s ASN 6 Ca -0.04 0.83 0.01 0.00 0.42 0.00 0.00 52.86 54.08 3dfy s ASN 6 Cb 0.08 0.68 0.02 0.00 -1.45 0.00 0.00 41.25 40.58 3dfy s ASN 6 CO 0.52 -0.55 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.60 3dfy s VAL 7 N -0.94 0.64 -0.03 -5.21 1.01 -1.26 -1.14 120.40 113.47 3dfy s VAL 7 Ca -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3dfy s VAL 7 Cb -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3dfy s VAL 7 CO 0.08 0.25 -0.05 -0.75 0.00 0.00 0.00 175.10 174.64 3dfy s LYS 8 N 0.91 0.74 0.09 2.72 2.47 0.30 -4.87 119.74 122.10 3dfy s LYS 8 Ca -0.11 -0.12 0.02 0.00 -1.56 0.00 0.00 55.97 54.20 3dfy s LYS 8 Cb -0.14 -0.75 -0.04 0.00 -1.46 0.00 0.00 37.83 35.44 3dfy s LYS 8 CO 0.00 -0.03 0.13 -0.51 0.16 0.00 0.00 175.35 175.10 3dfy s LEU 9 N 0.68 3.97 -0.06 5.43 1.02 -1.26 -0.73 118.68 127.73 3dfy s LEU 9 Ca -0.09 0.06 -0.19 0.00 0.02 0.00 0.00 54.13 53.93 3dfy s LEU 9 Cb -0.12 -2.62 0.04 0.00 0.02 0.00 0.00 46.19 43.51 3dfy s LEU 9 CO 0.00 0.15 0.43 -0.94 0.02 0.00 0.00 176.35 176.01 3dfy s SER 10 N -2.54 -0.36 -0.17 2.29 1.04 -0.77 -4.97 113.70 108.22 3dfy s SER 10 Ca 0.31 0.42 -0.14 0.00 0.48 0.00 0.00 55.95 57.02 3dfy s SER 10 Cb -0.12 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 3dfy s SER 10 CO 0.24 -0.42 0.30 -0.22 0.98 0.00 0.00 173.24 174.11 3dfy s LEU 11 N -0.95 4.23 -0.04 2.42 2.96 -1.26 -0.67 118.68 125.38 3dfy s LEU 11 Ca -0.10 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3dfy s LEU 11 Cb -0.04 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.30 3dfy s LEU 11 CO 0.05 0.08 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.58 3dfy s LYS 12 N 0.57 0.79 -0.07 1.98 1.02 -0.34 -4.99 119.74 118.69 3dfy s LYS 12 Ca 0.16 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3dfy s LYS 12 Cb -0.13 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.35 3dfy s LYS 12 CO 0.04 -0.06 -0.06 -0.98 -0.92 0.00 0.00 175.35 173.37 3dfy s ARG 13 N 0.83 2.81 -0.08 1.68 1.70 -1.26 -1.07 118.95 123.56 3dfy s ARG 13 Ca -0.11 -0.53 0.03 0.00 -0.47 0.00 0.00 55.73 54.65 3dfy s ARG 13 Cb -0.14 -2.63 0.01 0.00 -0.57 0.00 0.00 34.95 31.62 3dfy s ARG 13 CO 0.00 0.66 -0.16 0.71 -1.08 0.00 0.00 175.30 175.43 3dfy s TYR 14 N -0.79 1.81 -0.01 5.89 2.02 0.00 -4.98 117.35 121.30 3dfy s TYR 14 Ca 0.12 -0.70 -0.15 0.00 -0.37 0.00 0.00 57.07 55.97 3dfy s TYR 14 Cb -0.11 -1.28 -0.06 0.00 -0.40 0.00 0.00 41.96 40.12 3dfy s TYR 14 CO 0.02 -0.32 0.42 -1.21 -1.57 0.00 0.00 175.55 172.88 3dfy s GLU 15 N 0.56 3.97 0.63 -0.62 2.02 -1.26 0.23 118.70 124.22 3dfy s GLU 15 Ca -0.16 0.42 -0.13 0.00 0.02 0.00 0.00 54.97 55.12 3dfy s GLU 15 Cb -0.17 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 3dfy s GLU 15 CO 0.05 0.64 1.05 0.71 0.02 0.00 0.00 175.26 177.73 3dfy s TYR 16 N -0.92 3.16 0.27 1.61 1.51 0.44 -4.60 117.35 118.82 3dfy s TYR 16 Ca 0.24 1.45 -0.00 0.00 -1.01 0.00 0.00 57.07 57.74 3dfy s TYR 16 Cb -0.17 -2.90 0.37 0.00 -0.11 0.00 0.00 41.96 39.15 3dfy s TYR 16 CO 0.13 -1.04 1.75 1.49 -1.11 0.00 0.00 175.55 176.77 3dfy h GLU 17 N -0.08 0.68 -3.38 -0.62 4.57 -1.53 -3.45 114.58 110.77 3dfy h GLU 17 Ca -0.45 -0.21 -0.10 0.00 -1.18 0.00 0.00 59.36 57.42 3dfy h GLU 17 Cb 1.21 -0.07 -0.17 0.00 -0.16 0.00 0.00 28.75 29.56 3dfy h GLU 17 CO 0.58 0.76 -0.29 0.15 -1.18 0.00 0.00 179.01 179.03 3dfy s LYS 18 N -4.81 0.78 0.21 1.92 -0.14 -1.26 -5.13 119.74 111.30 3dfy s LYS 18 Ca -0.09 -0.55 -0.32 0.00 -1.36 0.00 0.00 55.97 53.65 3dfy s LYS 18 Cb 0.14 0.33 -0.13 0.00 -1.68 0.00 0.00 37.83 36.49 3dfy s LYS 18 CO 0.80 -0.24 1.55 -2.30 -0.76 0.00 0.00 175.35 174.40 3dfy n PRO 19 N 0.60 2.28 -3.53 -1.68 -0.02 -1.26 -4.84 135.00 126.54 3dfy n PRO 19 Ca -0.19 0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 61.71 3dfy n PRO 19 Cb 0.59 -2.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 3dfy n PRO 19 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3dfy s PHE 20 N 0.55 3.23 -0.17 6.00 5.36 0.80 -4.91 117.98 128.83 3dfy s PHE 20 Ca 0.73 -0.10 -0.03 0.00 -0.96 0.00 0.00 56.93 56.57 3dfy s PHE 20 Cb -0.62 -2.47 -0.02 0.00 -0.34 0.00 0.00 43.02 39.57 3dfy s PHE 20 CO 0.42 -0.31 -0.05 -1.58 -1.46 0.00 0.00 175.22 172.24 3dfy s HIS 21 N 1.77 2.97 0.26 10.12 5.65 -1.26 -1.73 115.29 133.07 3dfy s HIS 21 Ca 0.07 -0.53 0.01 0.00 0.25 0.00 0.00 55.06 54.86 3dfy s HIS 21 Cb -0.17 -1.99 -0.05 0.00 -1.18 0.00 0.00 32.58 29.19 3dfy s HIS 21 CO 0.11 -0.22 0.09 0.96 -0.65 0.00 0.00 174.74 175.03 3dfy s ILE 22 N 0.73 0.62 -0.21 0.89 -4.36 -0.48 -0.63 121.20 117.76 3dfy s ILE 22 Ca -0.02 -2.00 -0.34 0.00 -0.26 0.00 0.00 60.65 58.03 3dfy s ILE 22 Cb -0.15 -2.63 -0.11 0.00 1.25 0.00 0.00 42.46 40.82 3dfy s ILE 22 CO 0.02 -0.02 2.04 0.41 0.24 0.00 0.00 174.94 177.63 3dfy n THR 23 N -0.48 0.40 -0.31 8.37 -1.04 -1.26 -1.67 114.28 118.29 3dfy n THR 23 Ca -0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3dfy n THR 23 Cb 0.66 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 3dfy n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dfy n GLY 24 N 5.34 0.92 3.49 3.41 0.00 -1.26 -4.97 105.19 112.13 3dfy n GLY 24 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 3dfy n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dfy s SER 25 N -2.97 -0.40 0.01 1.61 1.04 -0.67 -5.15 113.70 107.17 3dfy s SER 25 Ca 0.00 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.46 3dfy s SER 25 Cb 0.00 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 3dfy s SER 25 CO 0.00 -0.66 -0.02 -0.69 0.98 0.00 0.00 173.24 172.85 3dfy s VAL 26 N -3.09 0.10 -0.16 5.02 1.01 -1.26 -1.38 120.40 120.65 3dfy s VAL 26 Ca 0.04 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 3dfy s VAL 26 Cb -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 36.25 3dfy s VAL 26 CO -0.09 -0.21 0.47 -0.94 0.00 0.00 0.00 175.10 174.33 3dfy s SER 27 N -0.68 -0.48 0.00 3.32 1.04 -0.70 -4.96 113.70 111.24 3dfy s SER 27 Ca -0.07 0.87 0.05 0.00 0.48 0.00 0.00 55.95 57.27 3dfy s SER 27 Cb -0.05 0.89 0.08 0.00 0.10 0.00 0.00 66.02 67.04 3dfy s SER 27 CO -0.00 -0.21 0.85 -1.54 0.98 0.00 0.00 173.24 173.32 3dfy n SER 28 N 2.59 1.84 -3.59 7.02 3.41 -1.26 -0.14 113.62 123.49 3dfy n SER 28 Ca -0.14 -1.55 -0.10 0.00 -0.26 0.00 0.00 58.87 56.81 3dfy n SER 28 Cb 0.57 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3dfy n SER 28 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3dfy s GLU 29 N -0.66 1.44 -0.13 4.33 -1.05 -1.26 -0.42 118.70 120.95 3dfy s GLU 29 Ca 0.07 -0.67 0.01 0.00 -0.15 0.00 0.00 54.97 54.24 3dfy s GLU 29 Cb 0.04 0.59 0.02 0.00 -0.44 0.00 0.00 34.13 34.34 3dfy s GLU 29 CO 0.06 -0.64 -0.16 -1.12 0.95 0.00 0.00 175.26 174.36 3dfy s SER 30 N -2.81 2.59 -0.42 0.83 0.01 0.13 -4.91 113.70 109.13 3dfy s SER 30 Ca 0.05 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 56.73 3dfy s SER 30 Cb -0.02 -1.16 0.06 0.00 0.21 0.00 0.00 66.02 65.11 3dfy s SER 30 CO -0.06 -0.00 0.28 -0.13 0.41 0.00 0.00 173.24 173.74 3dfy s ARG 31 N 1.15 2.75 0.19 12.44 0.52 -1.26 -0.82 118.95 133.92 3dfy s ARG 31 Ca -0.02 -1.34 0.06 0.00 -0.52 0.00 0.00 55.73 53.91 3dfy s ARG 31 Cb -0.14 -3.86 -0.04 0.00 0.52 0.00 0.00 34.95 31.43 3dfy s ARG 31 CO -0.05 -0.91 0.09 -0.80 0.02 0.00 0.00 175.30 173.65 3dfy s ASN 32 N 2.09 5.20 -0.31 0.23 0.01 -0.24 -4.63 114.94 117.30 3dfy s ASN 32 Ca 0.03 -0.27 -0.07 0.00 -0.71 0.00 0.00 52.86 51.84 3dfy s ASN 32 Cb -0.22 -1.25 0.02 0.00 0.41 0.00 0.00 41.25 40.20 3dfy s ASN 32 CO 0.04 0.05 0.10 -0.69 -1.51 0.00 0.00 177.10 175.10 3dfy s VAL 33 N -1.84 4.01 0.11 1.60 1.01 -0.00 -1.20 120.40 124.08 3dfy s VAL 33 Ca 0.30 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 3dfy s VAL 33 Cb -0.09 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 3dfy s VAL 33 CO 0.22 0.01 0.57 -0.70 0.00 0.00 0.00 175.10 175.20 3dfy s GLU 34 N 1.49 4.13 -0.12 2.72 2.12 0.16 -0.20 118.70 128.99 3dfy s GLU 34 Ca 0.02 0.66 -0.00 0.00 0.36 0.00 0.00 54.97 56.01 3dfy s GLU 34 Cb -0.18 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 3dfy s GLU 34 CO 0.03 0.57 -0.12 0.08 -0.54 0.00 0.00 175.26 175.28 3dfy s VAL 35 N -1.26 3.15 -0.16 3.70 1.01 0.68 -1.84 120.40 125.68 3dfy s VAL 35 Ca 0.33 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3dfy s VAL 35 Cb -0.18 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3dfy s VAL 35 CO 0.19 0.53 -0.18 -0.70 0.00 0.00 0.00 175.10 174.94 3dfy s GLU 36 N 0.20 2.72 -0.14 2.72 2.12 0.09 -1.44 118.70 124.98 3dfy s GLU 36 Ca -0.07 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.52 3dfy s GLU 36 Cb -0.15 -2.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.87 3dfy s GLU 36 CO 0.05 -0.18 -0.11 0.42 -0.54 0.00 0.00 175.26 174.90 3dfy s ILE 37 N 1.25 3.18 -0.11 -3.70 1.01 -0.03 -0.54 121.20 122.26 3dfy s ILE 37 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3dfy s ILE 37 Cb -0.13 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3dfy s ILE 37 CO -0.10 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 174.50 3dfy s VAL 38 N 0.39 2.75 0.21 2.92 1.01 -0.30 -0.67 120.40 126.71 3dfy s VAL 38 Ca -0.09 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3dfy s VAL 38 Cb -0.16 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3dfy s VAL 38 CO 0.05 0.54 0.31 -0.76 0.00 0.00 0.00 175.10 175.24 3dfy s LEU 39 N 0.25 4.25 0.66 3.92 1.02 -0.21 -0.59 118.68 127.99 3dfy s LEU 39 Ca -0.11 0.06 0.41 0.00 0.02 0.00 0.00 54.13 54.52 3dfy s LEU 39 Cb -0.16 -2.81 2.27 0.00 0.02 0.00 0.00 46.19 45.51 3dfy s LEU 39 CO 0.06 -0.02 2.30 1.05 0.02 0.00 0.00 176.35 179.77 3dfy h GLU 40 N 1.60 0.00 0.00 1.70 4.11 -1.43 0.40 114.58 120.96 3dfy h GLU 40 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3dfy h GLU 40 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3dfy h GLU 40 CO 0.64 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.59 3dfy n SER 41 N -3.14 0.25 0.00 3.06 3.41 -1.26 -4.88 113.62 111.06 3dfy n SER 41 Ca -0.03 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 3dfy n SER 41 Cb 0.12 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 3dfy n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfy n GLY 42 N 1.19 1.98 3.76 5.00 0.00 0.14 -5.06 105.19 112.19 3dfy n GLY 42 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3dfy n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dfy s VAL 43 N -2.55 2.52 -0.08 1.61 1.01 -1.26 -4.73 120.40 116.93 3dfy s VAL 43 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.37 3dfy s VAL 43 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.22 3dfy s VAL 43 CO 0.00 -0.02 -0.09 -0.54 0.00 0.00 0.00 175.10 174.44 3dfy s LYS 44 N -2.94 1.53 0.01 2.72 1.02 -1.26 -1.04 119.74 119.78 3dfy s LYS 44 Ca 0.71 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.39 3dfy s LYS 44 Cb -0.34 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 3dfy s LYS 44 CO 0.40 -0.10 0.05 0.20 -0.92 0.00 0.00 175.35 174.98 3dfy s GLY 45 N 1.11 1.96 0.03 -3.33 0.00 0.16 -4.72 107.32 102.53 3dfy s GLY 45 Ca -0.06 -0.93 0.07 0.00 0.00 0.00 0.00 44.72 43.80 3dfy s GLY 45 CO -0.01 -0.81 -0.20 -0.19 0.00 0.00 0.00 173.10 171.88 3dfy s TYR 46 N -1.18 1.79 0.13 1.90 2.02 -1.26 -0.85 117.35 119.91 3dfy s TYR 46 Ca 0.22 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.53 3dfy s TYR 46 Cb -0.12 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 3dfy s TYR 46 CO 0.13 0.06 0.10 0.20 -1.57 0.00 0.00 175.55 174.47 3dfy s GLY 47 N -1.00 0.86 -0.02 0.71 0.00 -0.52 -3.97 107.32 103.38 3dfy s GLY 47 Ca 0.07 -1.34 -0.00 0.00 0.00 0.00 0.00 44.72 43.45 3dfy s GLY 47 CO 0.01 -1.25 0.03 1.85 0.00 0.00 0.00 173.10 173.74 3dfy s GLU 48 N -4.03 -0.02 -0.21 2.90 2.12 -1.26 -0.23 118.70 117.97 3dfy s GLU 48 Ca 0.22 0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.65 3dfy s GLU 48 Cb 0.07 -0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.24 3dfy s GLU 48 CO 0.01 -0.13 0.01 0.00 -0.54 0.00 0.00 175.26 174.61 3dfy s ALA 49 N 0.84 3.05 -0.58 6.30 0.00 0.72 -4.39 121.76 127.69 3dfy s ALA 49 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3dfy s ALA 49 Cb -0.10 -1.81 0.15 0.00 0.00 0.00 0.00 23.12 21.36 3dfy s ALA 49 CO -0.02 -0.18 0.37 0.45 0.00 0.00 0.00 175.76 176.37 3dfy s SER 50 N 1.05 4.82 0.86 0.00 0.15 -1.26 -0.82 113.70 118.50 3dfy s SER 50 Ca 0.02 -2.95 -0.10 0.00 0.70 0.00 0.00 55.95 53.62 3dfy s SER 50 Cb -0.14 -1.76 0.11 0.00 -1.71 0.00 0.00 66.02 62.52 3dfy s SER 50 CO 0.02 -0.30 1.13 -2.16 1.20 0.00 0.00 173.24 173.12 3dfy s PRO 51 N -0.21 1.46 -0.08 5.44 0.04 -1.26 -4.59 135.00 135.81 3dfy s PRO 51 Ca 0.17 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 3dfy s PRO 51 Cb -0.23 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.56 3dfy s PRO 51 CO -0.02 -2.27 0.06 0.45 0.04 0.00 0.00 177.00 175.25 3dfy s SER 52 N -2.95 1.58 -0.00 6.66 0.15 -1.26 -4.88 113.70 113.01 3dfy s SER 52 Ca 0.65 -0.15 -0.24 0.00 0.70 0.00 0.00 55.95 56.90 3dfy s SER 52 Cb -0.21 -0.24 -0.18 0.00 -1.71 0.00 0.00 66.02 63.68 3dfy s SER 52 CO 0.57 -0.27 1.29 0.15 1.20 0.00 0.00 173.24 176.19 3dfy h PHE 53 N 8.41 0.13 -0.13 3.44 3.57 -1.85 -0.61 116.94 129.89 3dfy h PHE 53 Ca -0.14 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.34 3dfy h PHE 53 Cb 1.13 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 3dfy h PHE 53 CO 0.39 0.57 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.93 3dfy h ARG 54 N -0.34 0.02 0.03 1.11 2.43 -1.94 0.11 114.38 115.79 3dfy h ARG 54 Ca 0.01 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 3dfy h ARG 54 Cb 0.54 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3dfy h ARG 54 CO 0.01 0.01 -0.77 0.28 -1.51 0.00 0.00 179.97 177.99 3dfy h VAL 55 N 0.02 1.32 -0.01 0.20 2.07 -1.98 -3.40 116.25 114.47 3dfy h VAL 55 Ca 0.06 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3dfy h VAL 55 Cb 0.09 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3dfy h VAL 55 CO -0.12 0.53 -0.59 0.59 0.02 0.00 0.00 177.57 178.00 3dfy n ASN 56 N -4.38 1.46 -0.10 0.57 3.02 -0.32 -4.96 115.26 110.55 3dfy n ASN 56 Ca -0.21 -1.23 -0.01 0.00 -0.03 0.00 0.00 54.58 53.10 3dfy n ASN 56 Cb 0.66 0.68 -0.01 0.00 -0.61 0.00 0.00 39.78 40.51 3dfy n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dfy n GLY 57 N 1.35 0.46 3.87 7.41 0.00 0.37 -4.94 105.19 113.71 3dfy n GLY 57 Ca 0.06 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3dfy n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfy s GLU 58 N -0.97 3.75 -0.04 1.61 2.02 -0.95 -4.86 118.70 119.27 3dfy s GLU 58 Ca 0.00 0.63 0.01 0.00 0.02 0.00 0.00 54.97 55.63 3dfy s GLU 58 Cb 0.00 -2.24 0.02 0.00 0.10 0.00 0.00 34.13 32.01 3dfy s GLU 58 CO 0.00 -0.25 -0.02 1.03 0.02 0.00 0.00 175.26 176.03 3dfy s ARG 59 N -4.35 0.58 0.36 1.61 0.52 -1.26 -2.78 118.95 113.64 3dfy s ARG 59 Ca 0.54 -0.03 0.11 0.00 -0.52 0.00 0.00 55.73 55.83 3dfy s ARG 59 Cb -0.10 -0.66 0.88 0.00 0.52 0.00 0.00 34.95 35.58 3dfy s ARG 59 CO 0.38 -0.10 1.84 -0.24 0.02 0.00 0.00 175.30 177.21 3dfy h VAL 60 N 6.18 0.75 -0.29 3.52 3.04 -1.94 -0.46 116.25 127.05 3dfy h VAL 60 Ca -0.41 -0.22 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 3dfy h VAL 60 Cb 1.14 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 3dfy h VAL 60 CO 0.48 0.11 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.78 3dfy h GLU 61 N 0.63 0.45 -0.40 4.17 3.07 -1.97 -2.41 114.58 118.12 3dfy h GLU 61 Ca 0.49 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.36 59.13 3dfy h GLU 61 Cb 0.91 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 3dfy h GLU 61 CO -0.24 0.51 -0.22 0.00 -1.40 0.00 0.00 179.01 177.66 3dfy h ALA 62 N 1.53 0.87 -0.53 3.43 0.00 -1.51 -2.42 119.26 120.62 3dfy h ALA 62 Ca 0.09 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3dfy h ALA 62 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3dfy h ALA 62 CO 0.01 0.63 0.10 -0.07 0.00 0.00 0.00 179.25 179.92 3dfy h LEU 63 N 0.69 0.84 -1.13 0.00 4.07 -1.17 -2.88 115.31 115.72 3dfy h LEU 63 Ca 0.10 -0.25 -0.03 0.00 0.08 0.00 0.00 57.88 57.77 3dfy h LEU 63 Cb 0.73 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.23 3dfy h LEU 63 CO 0.06 0.88 0.21 -0.07 -1.08 0.00 0.00 178.44 178.44 3dfy h LEU 64 N 0.76 0.75 -1.55 1.67 3.38 -1.35 -2.86 115.31 116.12 3dfy h LEU 64 Ca 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dfy h LEU 64 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3dfy h LEU 64 CO 0.01 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.22 3dfy h ALA 65 N 1.42 1.00 -0.51 1.53 0.00 -1.21 -3.13 119.26 118.36 3dfy h ALA 65 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3dfy h ALA 65 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3dfy h ALA 65 CO -0.02 0.00 0.05 0.44 0.00 0.00 0.00 179.25 179.72 3dfy n ILE 66 N -2.67 2.66 -0.21 0.00 -5.35 -1.08 -4.66 119.36 108.05 3dfy n ILE 66 Ca -0.00 -1.65 0.02 0.00 -0.27 0.00 0.00 62.75 60.85 3dfy n ILE 66 Cb 0.18 -0.29 0.12 0.00 -1.74 0.00 0.00 39.64 37.91 3dfy n ILE 66 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3dfy h GLU 67 N 2.99 0.19 -0.93 6.28 4.81 -1.70 -1.43 114.58 124.78 3dfy h GLU 67 Ca 0.06 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3dfy h GLU 67 Cb 1.89 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 31.17 3dfy h GLU 67 CO 0.46 0.12 0.61 -0.91 -0.73 0.00 0.00 179.01 178.56 3dfy h ASN 68 N 0.19 1.03 -0.54 1.04 2.35 -1.89 -0.98 115.58 116.78 3dfy h ASN 68 Ca 0.34 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 3dfy h ASN 68 Cb 0.55 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3dfy h ASN 68 CO -0.49 0.72 0.30 0.00 -1.65 0.00 0.00 177.43 176.31 3dfy h ALA 69 N 1.37 0.69 -0.42 -0.83 0.00 -1.63 0.04 119.26 118.48 3dfy h ALA 69 Ca 0.36 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3dfy h ALA 69 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3dfy h ALA 69 CO -0.10 0.20 0.10 0.28 0.00 0.00 0.00 179.25 179.73 3dfy h VAL 70 N 0.72 1.23 -0.32 0.00 2.07 -0.99 -1.14 116.25 117.82 3dfy h VAL 70 Ca 0.19 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3dfy h VAL 70 Cb 0.04 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3dfy h VAL 70 CO -0.03 0.28 0.10 -0.09 0.02 0.00 0.00 177.57 177.84 3dfy h ARG 71 N 0.54 0.22 -0.63 1.57 2.43 -0.91 -1.96 114.38 115.64 3dfy h ARG 71 Ca 0.13 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3dfy h ARG 71 Cb 0.31 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3dfy h ARG 71 CO 0.00 0.15 0.32 1.49 -1.51 0.00 0.00 179.97 180.42 3dfy h GLU 72 N 0.23 0.88 -0.62 0.20 4.22 -0.79 -0.93 114.58 117.79 3dfy h GLU 72 Ca 0.15 -0.10 -0.07 0.00 0.08 0.00 0.00 59.36 59.41 3dfy h GLU 72 Cb 0.13 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3dfy h GLU 72 CO -0.16 0.67 0.10 0.52 -2.18 0.00 0.00 179.01 177.96 3dfy h MET 73 N 0.89 1.00 0.00 1.92 2.86 -0.45 -3.38 114.93 117.77 3dfy h MET 73 Ca 0.22 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3dfy h MET 73 Cb 0.06 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3dfy h MET 73 CO -0.03 0.92 0.00 0.44 1.06 0.00 0.00 176.91 179.30 3dfy n ILE 74 N -4.22 0.00 -1.74 -1.22 -5.35 -0.99 -5.00 119.36 100.84 3dfy n ILE 74 Ca 0.04 -0.44 -0.42 0.00 -0.27 0.00 0.00 62.75 61.66 3dfy n ILE 74 Cb 0.28 1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 39.18 3dfy n ILE 74 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3dfy n THR 75 N -0.72 0.92 0.00 7.28 -1.04 -0.36 -2.06 114.28 118.30 3dfy n THR 75 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 3dfy n THR 75 Cb 0.01 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 66.56 3dfy n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dfy n GLY 76 N 2.34 1.42 3.79 3.41 0.00 0.11 -4.97 105.19 111.28 3dfy n GLY 76 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3dfy n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 77 N -2.31 4.68 0.05 -0.61 1.01 -0.87 -4.65 121.20 118.49 3dfy s ILE 77 Ca 0.00 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 3dfy s ILE 77 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 3dfy s ILE 77 CO 0.00 0.51 1.02 -0.62 0.00 0.00 0.00 174.94 175.85 3dfy s ASP 78 N -0.86 7.35 0.46 3.58 -1.08 -1.26 -1.08 116.67 123.77 3dfy s ASP 78 Ca 0.32 1.77 0.31 0.00 -0.52 0.00 0.00 52.55 54.43 3dfy s ASP 78 Cb -0.20 -2.58 1.61 0.00 -1.46 0.00 0.00 42.92 40.29 3dfy s ASP 78 CO 0.21 -0.25 1.95 -0.37 0.52 0.00 0.00 175.17 177.23 3dfy h VAL 79 N 4.51 0.00 0.00 1.11 -1.51 -1.94 -0.15 116.25 118.28 3dfy h VAL 79 Ca -0.42 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3dfy h VAL 79 Cb 1.22 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3dfy h VAL 79 CO 0.75 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.98 3dfy n ARG 80 N -2.62 0.17 -1.74 5.19 1.85 -1.26 -1.47 116.66 116.78 3dfy n ARG 80 Ca -0.01 0.38 -0.35 0.00 -1.00 0.00 0.00 57.85 56.86 3dfy n ARG 80 Cb 0.10 -1.81 0.05 0.00 -1.05 0.00 0.00 32.46 29.75 3dfy n ARG 80 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3dfy n ASN 81 N -2.14 7.10 0.20 2.89 3.02 -0.07 -4.79 115.26 121.48 3dfy n ASN 81 Ca 0.03 -3.80 0.18 0.00 -0.03 0.00 0.00 54.58 50.96 3dfy n ASN 81 Cb 0.24 -0.91 0.83 0.00 -0.61 0.00 0.00 39.78 39.33 3dfy n ASN 81 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3dfy h TYR 82 N 2.47 0.00 0.00 3.10 -0.00 -1.41 -1.07 116.97 120.05 3dfy h TYR 82 Ca 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 59.21 3dfy h TYR 82 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.30 3dfy h TYR 82 CO 1.22 0.00 -0.30 0.00 -0.00 0.00 0.00 178.16 179.09 3dfy h ALA 83 N 1.63 1.39 -0.14 0.10 0.00 -1.88 0.52 119.26 120.89 3dfy h ALA 83 Ca 0.10 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3dfy h ALA 83 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3dfy h ALA 83 CO -0.00 0.37 -0.41 0.00 0.00 0.00 0.00 179.25 179.21 3dfy h ARG 84 N 0.00 0.53 -0.74 0.00 3.08 -1.59 -1.20 114.38 114.46 3dfy h ARG 84 Ca -0.00 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.67 3dfy h ARG 84 Cb 0.57 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 3dfy h ARG 84 CO 0.04 1.00 0.48 0.82 -1.07 0.00 0.00 179.97 181.25 3dfy h ILE 85 N 0.16 1.20 -0.59 2.04 2.04 -1.45 -0.55 117.51 120.36 3dfy h ILE 85 Ca -0.01 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3dfy h ILE 85 Cb 1.03 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3dfy h ILE 85 CO 0.09 0.19 0.36 -0.26 0.00 0.00 0.00 178.15 178.53 3dfy h PHE 86 N 1.01 0.77 -0.56 1.37 -1.00 -0.78 -0.53 116.94 117.22 3dfy h PHE 86 Ca 0.27 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.00 3dfy h PHE 86 Cb -0.10 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.18 3dfy h PHE 86 CO -0.02 0.52 0.16 1.49 -1.61 0.00 0.00 178.31 178.85 3dfy h GLU 87 N 0.80 0.88 -0.08 1.51 4.81 -0.61 -2.02 114.58 119.87 3dfy h GLU 87 Ca 0.21 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3dfy h GLU 87 Cb -0.03 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 3dfy h GLU 87 CO -0.04 0.81 0.02 0.82 -0.73 0.00 0.00 179.01 179.89 3dfy h ILE 88 N 0.79 1.21 0.00 2.32 2.04 -0.87 -2.86 117.51 120.14 3dfy h ILE 88 Ca 0.18 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3dfy h ILE 88 Cb 0.31 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3dfy h ILE 88 CO -0.00 0.18 0.00 0.71 0.00 0.00 0.00 178.15 179.04 3dfy h THR 89 N -0.09 0.00 0.00 -0.27 1.35 -1.02 -2.00 112.91 110.89 3dfy h THR 89 Ca 0.03 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3dfy h THR 89 Cb 0.27 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3dfy h THR 89 CO 0.00 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.71 3dfy h ASP 90 N 0.00 0.00 0.91 5.36 3.32 -1.11 -0.06 116.42 124.84 3dfy h ASP 90 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dfy h ASP 90 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3dfy h ASP 90 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 3dfy n ARG 91 N -2.52 0.18 -0.95 3.56 1.74 -0.75 -3.23 116.66 114.69 3dfy n ARG 91 Ca -0.01 0.32 -0.15 0.00 -0.77 0.00 0.00 57.85 57.24 3dfy n ARG 91 Cb 0.09 -1.79 -0.01 0.00 -1.02 0.00 0.00 32.46 29.73 3dfy n ARG 91 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dfy n LEU 92 N -2.11 6.15 0.16 0.55 4.77 -0.03 -4.51 117.00 121.98 3dfy n LEU 92 Ca 0.03 -3.28 0.12 0.00 -0.03 0.00 0.00 56.01 52.86 3dfy n LEU 92 Cb 0.28 -1.14 0.57 0.00 -2.33 0.00 0.00 43.42 40.81 3dfy n LEU 92 CO 0.22 1.33 0.87 2.19 -1.33 0.00 0.00 177.39 180.67 3dfy h PHE 93 N 1.83 0.00 -0.00 -1.77 -5.15 -1.78 0.15 116.94 110.21 3dfy h PHE 93 Ca 0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.02 3dfy h PHE 93 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.12 3dfy h PHE 93 CO 0.92 0.00 -0.38 0.41 -2.00 0.00 0.00 178.31 177.26 3dfy n GLY 94 N -0.55 -0.87 2.60 6.09 0.00 -1.26 -4.04 105.19 107.15 3dfy n GLY 94 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 3dfy n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dfy n PHE 95 N -1.01 1.88 -0.34 1.61 3.72 0.48 -4.74 117.46 119.05 3dfy n PHE 95 Ca 0.09 -2.82 0.27 0.00 -0.05 0.00 0.00 57.45 54.94 3dfy n PHE 95 Cb 0.34 -0.28 0.57 0.00 -0.94 0.00 0.00 39.48 39.17 3dfy n PHE 95 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3dfy h PRO 96 N 2.82 0.28 -0.22 -1.08 0.13 -1.60 0.32 132.00 132.65 3dfy h PRO 96 Ca 0.03 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.02 3dfy h PRO 96 Cb 1.12 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3dfy h PRO 96 CO 0.59 0.18 -0.37 0.66 -0.23 0.00 0.00 178.00 178.83 3dfy h SER 97 N 0.29 0.50 0.24 1.44 4.64 -1.82 -0.48 113.55 118.35 3dfy h SER 97 Ca 0.62 -0.21 -0.22 0.00 -0.47 0.00 0.00 61.79 61.51 3dfy h SER 97 Cb 1.77 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 3dfy h SER 97 CO -0.27 0.83 -0.89 0.25 -0.87 0.00 0.00 176.83 175.88 3dfy h LEU 98 N 0.41 0.60 -0.47 5.97 5.85 -1.35 -2.05 115.31 124.27 3dfy h LEU 98 Ca 0.04 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.35 3dfy h LEU 98 Cb 0.84 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3dfy h LEU 98 CO 0.07 1.24 0.23 0.50 -0.34 0.00 0.00 178.44 180.14 3dfy h LYS 99 N 0.29 0.45 0.11 1.25 3.64 -0.80 -0.54 116.57 120.96 3dfy h LYS 99 Ca -0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3dfy h LYS 99 Cb 1.52 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 3dfy h LYS 99 CO 0.16 0.30 -0.05 0.00 -2.27 0.00 0.00 179.45 177.58 3dfy h ALA 100 N 1.25 -0.15 -0.76 5.00 0.00 -0.98 -1.00 119.26 122.62 3dfy h ALA 100 Ca 0.20 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3dfy h ALA 100 Cb 0.11 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3dfy h ALA 100 CO -0.14 -0.56 0.46 0.00 0.00 0.00 0.00 179.25 179.01 3dfy h ALA 101 N 0.67 1.03 -0.25 0.00 0.00 -1.04 0.15 119.26 119.82 3dfy h ALA 101 Ca -0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3dfy h ALA 101 Cb 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dfy h ALA 101 CO 0.03 0.19 -0.30 0.28 0.00 0.00 0.00 179.25 179.45 3dfy h VAL 102 N 0.86 1.31 -0.57 0.00 2.07 -1.02 -0.56 116.25 118.33 3dfy h VAL 102 Ca 0.33 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3dfy h VAL 102 Cb 0.14 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3dfy h VAL 102 CO -0.16 0.47 0.28 1.56 0.02 0.00 0.00 177.57 179.73 3dfy h GLN 103 N 0.37 0.83 -0.32 1.57 4.20 -0.77 -1.25 115.11 119.73 3dfy h GLN 103 Ca 0.04 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 3dfy h GLN 103 Cb 0.87 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3dfy h GLN 103 CO 0.07 0.67 -0.18 0.35 -0.67 0.00 0.00 178.83 179.07 3dfy h PHE 104 N 0.78 0.80 -0.73 2.96 3.57 -0.67 -2.48 116.94 121.17 3dfy h PHE 104 Ca 0.20 -0.21 0.12 0.00 3.53 0.00 0.00 57.97 61.61 3dfy h PHE 104 Cb 0.12 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3dfy h PHE 104 CO -0.00 0.92 0.48 0.00 -2.23 0.00 0.00 178.31 177.48 3dfy h ALA 105 N 0.76 1.95 -0.32 2.41 0.00 -0.89 0.34 119.26 123.51 3dfy h ALA 105 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dfy h ALA 105 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3dfy h ALA 105 CO 0.05 -0.13 0.12 1.15 0.00 0.00 0.00 179.25 180.45 3dfy h THR 106 N 0.53 1.19 -0.08 0.00 2.02 -0.83 -1.08 112.91 114.65 3dfy h THR 106 Ca 0.34 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 3dfy h THR 106 Cb 0.62 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3dfy h THR 106 CO -0.12 0.21 -0.45 -0.07 0.37 0.00 0.00 175.52 175.45 3dfy h LEU 107 N 0.37 0.20 -0.39 2.58 3.38 -0.61 -1.09 115.31 119.76 3dfy h LEU 107 Ca 0.11 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3dfy h LEU 107 Cb 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3dfy h LEU 107 CO -0.01 0.63 0.09 -0.78 0.09 0.00 0.00 178.44 178.47 3dfy h ASP 108 N 0.15 0.59 -0.27 -0.43 3.58 -0.11 -0.04 116.42 119.89 3dfy h ASP 108 Ca 0.01 -0.23 -0.09 0.00 0.42 0.00 0.00 57.03 57.14 3dfy h ASP 108 Cb 0.86 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 3dfy h ASP 108 CO 0.07 0.67 -0.17 0.00 -2.88 0.00 0.00 179.24 176.93 3dfy h ALA 109 N 0.94 0.39 -0.20 -0.78 0.00 -1.05 -2.88 119.26 115.69 3dfy h ALA 109 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dfy h ALA 109 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dfy h ALA 109 CO 0.00 0.30 0.13 1.25 0.00 0.00 0.00 179.25 180.93 3dfy h LEU 110 N 0.33 0.23 -1.60 0.00 5.85 -1.10 -2.17 115.31 116.85 3dfy h LEU 110 Ca 0.06 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3dfy h LEU 110 Cb 0.70 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3dfy h LEU 110 CO 0.05 0.17 0.28 0.77 -0.34 0.00 0.00 178.44 179.37 3dfy h SER 111 N 0.26 0.46 -0.30 1.25 4.64 -1.01 -1.12 113.55 117.74 3dfy h SER 111 Ca 0.07 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3dfy h SER 111 Cb -0.02 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3dfy h SER 111 CO -0.02 0.33 -0.05 1.56 -0.87 0.00 0.00 176.83 177.79 3dfy h GLN 112 N 0.55 0.56 0.00 4.77 4.20 -1.23 0.20 115.11 124.15 3dfy h GLN 112 Ca 0.16 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3dfy h GLN 112 Cb -0.03 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3dfy h GLN 112 CO -0.04 0.74 -0.15 0.93 -0.67 0.00 0.00 178.83 179.65 3dfy h GLU 113 N 0.33 0.00 -0.01 1.46 5.08 -0.73 -1.18 114.58 119.53 3dfy h GLU 113 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3dfy h GLU 113 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3dfy h GLU 113 CO 0.03 0.15 -0.23 1.28 -1.00 0.00 0.00 179.01 179.24 3dfy n LEU 114 N -3.85 1.29 -1.34 1.33 4.77 -0.50 -4.96 117.00 113.75 3dfy n LEU 114 Ca -0.02 -0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 55.47 3dfy n LEU 114 Cb 0.25 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3dfy n LEU 114 CO 0.32 0.23 -0.09 0.61 -1.33 0.00 0.00 177.39 177.14 3dfy n GLY 115 N 1.32 -0.01 0.00 -0.72 0.00 -0.17 -5.01 105.19 100.59 3dfy n GLY 115 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3dfy n GLY 115 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dfy n THR 116 N -3.96 0.00 -4.44 2.61 5.66 0.52 -5.02 114.28 109.65 3dfy n THR 116 Ca -0.10 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.65 3dfy n THR 116 Cb 0.58 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.26 3dfy n THR 116 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3dfy s GLN 117 N 0.20 1.58 0.21 1.09 -0.21 -1.26 -4.16 119.66 117.10 3dfy s GLN 117 Ca 0.00 -1.66 -0.09 0.00 0.02 0.00 0.00 55.36 53.64 3dfy s GLN 117 Cb 0.00 -1.73 0.29 0.00 1.00 0.00 0.00 33.01 32.57 3dfy s GLN 117 CO 0.00 0.34 1.76 0.28 -2.12 0.00 0.00 175.29 175.55 3dfy h VAL 118 N 2.66 0.81 -0.76 1.09 2.07 -1.93 -1.31 116.25 118.88 3dfy h VAL 118 Ca -0.42 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.02 3dfy h VAL 118 Cb 1.24 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3dfy h VAL 118 CO 0.56 0.09 0.50 0.00 0.02 0.00 0.00 177.57 178.73 3dfy h TYR 120 N 0.75 0.29 0.00 0.00 0.05 -1.62 0.46 116.97 116.90 3dfy h TYR 120 Ca 0.34 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.94 3dfy h TYR 120 Cb 0.35 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3dfy h TYR 120 CO -0.00 0.88 -0.21 1.25 -1.05 0.00 0.00 178.16 179.03 3dfy h LEU 121 N 0.13 0.00 -1.07 3.88 5.85 -0.44 -2.30 115.31 121.36 3dfy h LEU 121 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3dfy h LEU 121 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3dfy h LEU 121 CO 0.12 0.21 0.00 0.18 -0.34 0.00 0.00 178.44 178.61 3dfy n LEU 122 N -4.29 1.65 0.00 2.25 4.77 -0.58 -4.91 117.00 115.89 3dfy n LEU 122 Ca -0.02 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3dfy n LEU 122 Cb 0.27 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3dfy n LEU 122 CO 0.37 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3dfy n GLY 123 N 1.18 1.23 3.09 -0.72 0.00 -0.87 -3.99 105.19 105.11 3dfy n GLY 123 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 3dfy n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfy n GLY 124 N 0.00 -0.50 0.36 -0.02 0.00 0.12 -4.87 105.19 100.27 3dfy n GLY 124 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 3dfy n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dfy h LYS 125 N -1.03 1.21 -5.38 1.61 1.63 -0.89 -3.45 116.57 110.27 3dfy h LYS 125 Ca -0.46 -0.07 -0.41 0.00 -0.85 0.00 0.00 60.65 58.86 3dfy h LYS 125 Cb 1.32 -0.27 -0.18 0.00 -0.60 0.00 0.00 32.23 32.50 3dfy h LYS 125 CO 0.53 0.80 -0.75 1.03 -3.45 0.00 0.00 179.45 177.61 3dfy s ARG 126 N -6.11 1.03 -0.06 1.90 0.52 -0.15 -4.94 118.95 111.14 3dfy s ARG 126 Ca -0.13 -1.26 0.21 0.00 -0.52 0.00 0.00 55.73 54.03 3dfy s ARG 126 Cb 0.18 -0.88 -0.29 0.00 0.52 0.00 0.00 34.95 34.48 3dfy s ARG 126 CO 0.81 0.16 0.41 -0.25 0.02 0.00 0.00 175.30 176.45 3dfy n ASP 127 N 0.46 0.08 -3.88 0.23 8.00 -1.26 -4.64 116.55 115.53 3dfy n ASP 127 Ca -0.15 0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.28 3dfy n ASP 127 Cb 0.57 1.58 -0.10 0.00 -0.02 0.00 0.00 41.12 43.16 3dfy n ASP 127 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dfy s GLU 128 N -3.21 0.49 0.04 -1.24 2.12 -1.26 -2.82 118.70 112.82 3dfy s GLU 128 Ca -0.08 -0.46 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 3dfy s GLU 128 Cb 0.11 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 3dfy s GLU 128 CO 0.88 -0.12 0.00 0.96 -0.54 0.00 0.00 175.26 176.45 3dfy s ILE 129 N -1.56 0.18 -0.06 -3.70 -4.36 -0.68 -5.00 121.20 106.01 3dfy s ILE 129 Ca -0.14 -1.47 0.06 0.00 -0.26 0.00 0.00 60.65 58.84 3dfy s ILE 129 Cb -0.07 -1.14 -0.01 0.00 1.25 0.00 0.00 42.46 42.49 3dfy s ILE 129 CO 0.01 -0.81 -0.24 -0.70 0.24 0.00 0.00 174.94 173.44 3dfy s GLU 130 N -3.19 2.49 0.21 0.37 2.12 -1.26 -1.20 118.70 118.23 3dfy s GLU 130 Ca 0.00 -0.86 0.07 0.00 0.36 0.00 0.00 54.97 54.54 3dfy s GLU 130 Cb 0.03 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.29 3dfy s GLU 130 CO -0.07 0.34 0.12 -0.08 -0.54 0.00 0.00 175.26 175.03 3dfy s THR 131 N -0.09 4.22 0.35 -1.70 -1.32 -0.21 -3.77 115.64 113.12 3dfy s THR 131 Ca -0.05 -1.34 -0.00 0.00 -1.21 0.00 0.00 61.69 59.09 3dfy s THR 131 Cb -0.14 -3.20 0.07 0.00 -1.51 0.00 0.00 72.50 67.72 3dfy s THR 131 CO 0.04 -0.22 0.47 -0.90 -2.21 0.00 0.00 174.62 171.81 3dfy n ASP 132 N -0.64 0.63 -4.02 8.08 5.68 -0.11 -4.73 116.55 121.45 3dfy n ASP 132 Ca -0.08 -1.53 -0.12 0.00 -0.50 0.00 0.00 54.79 52.55 3dfy n ASP 132 Cb 0.56 -0.31 -0.12 0.00 -1.14 0.00 0.00 41.12 40.12 3dfy n ASP 132 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3dfy s LYS 133 N -3.68 0.43 -0.07 0.11 2.20 -1.13 -4.49 119.74 113.11 3dfy s LYS 133 Ca 0.31 -0.61 -0.08 0.00 -0.36 0.00 0.00 55.97 55.24 3dfy s LYS 133 Cb -0.02 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.07 3dfy s LYS 133 CO 0.21 0.03 0.20 0.99 -0.36 0.00 0.00 175.35 176.42 3dfy s THR 134 N -1.17 5.41 -0.40 3.43 2.01 -1.26 -1.61 115.64 122.05 3dfy s THR 134 Ca -0.09 0.25 -0.08 0.00 0.31 0.00 0.00 61.69 62.07 3dfy s THR 134 Cb -0.08 -3.48 0.07 0.00 0.01 0.00 0.00 72.50 69.01 3dfy s THR 134 CO -0.00 0.55 0.22 -0.69 -0.69 0.00 0.00 174.62 174.00 3dfy s VAL 135 N -1.10 4.10 0.94 3.82 1.01 0.13 -4.96 120.40 124.34 3dfy s VAL 135 Ca 0.19 -1.33 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 3dfy s VAL 135 Cb -0.13 -3.46 0.16 0.00 0.00 0.00 0.00 36.38 32.94 3dfy s VAL 135 CO 0.08 -0.42 1.13 -0.83 0.00 0.00 0.00 175.10 175.06 3dfy s GLY 136 N 1.89 1.57 0.24 4.51 0.00 -1.26 -1.54 107.32 112.73 3dfy s GLY 136 Ca 0.02 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 3dfy s GLY 136 CO 0.02 0.09 1.20 -0.42 0.00 0.00 0.00 173.10 173.98 3dfy s ILE 137 N -3.19 3.35 0.00 0.90 1.01 0.19 -4.77 121.20 118.69 3dfy s ILE 137 Ca 0.64 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.53 3dfy s ILE 137 Cb -0.16 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3dfy s ILE 137 CO 0.55 0.25 0.00 -0.67 0.00 0.00 0.00 174.94 175.06 3dfy n ASP 138 N 1.79 0.00 -4.77 3.58 -0.08 -1.26 -4.50 116.55 111.31 3dfy n ASP 138 Ca 0.02 -0.66 -0.35 0.00 -1.51 0.00 0.00 54.79 52.29 3dfy n ASP 138 Cb 0.44 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.92 3dfy n ASP 138 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3dfy s THR 139 N -2.40 3.14 0.41 5.18 -4.23 -1.26 -4.78 115.64 111.70 3dfy s THR 139 Ca 0.00 0.66 0.17 0.00 -1.18 0.00 0.00 61.69 61.34 3dfy s THR 139 Cb 0.00 -3.23 0.38 0.00 1.34 0.00 0.00 72.50 70.99 3dfy s THR 139 CO 0.00 -0.20 1.83 0.58 -0.54 0.00 0.00 174.62 176.29 3dfy h VAL 140 N 0.89 0.64 -0.07 2.29 2.07 -1.99 -0.40 116.25 119.67 3dfy h VAL 140 Ca -0.49 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 3dfy h VAL 140 Cb 1.26 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3dfy h VAL 140 CO 0.56 0.08 0.03 -0.08 0.02 0.00 0.00 177.57 178.18 3dfy h GLU 141 N 0.43 0.10 -0.21 1.57 4.81 -2.00 -2.49 114.58 116.79 3dfy h GLU 141 Ca 0.51 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.60 3dfy h GLU 141 Cb 1.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3dfy h GLU 141 CO -0.22 0.19 -0.40 -0.91 -0.73 0.00 0.00 179.01 176.94 3dfy h ASN 142 N -0.01 0.51 -0.30 1.04 2.35 -1.49 -2.46 115.58 115.21 3dfy h ASN 142 Ca 0.02 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.57 3dfy h ASN 142 Cb 0.12 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3dfy h ASN 142 CO -0.00 0.85 0.16 0.03 -1.65 0.00 0.00 177.43 176.82 3dfy h ARG 143 N 0.40 0.32 -0.41 0.81 3.08 -1.04 0.17 114.38 117.70 3dfy h ARG 143 Ca 0.04 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3dfy h ARG 143 Cb 0.87 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3dfy h ARG 143 CO 0.07 0.21 0.18 0.28 -1.07 0.00 0.00 179.97 179.64 3dfy h VAL 144 N 0.33 1.19 -0.31 2.04 2.07 -1.39 0.56 116.25 120.74 3dfy h VAL 144 Ca 0.12 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.09 3dfy h VAL 144 Cb 0.03 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3dfy h VAL 144 CO -0.07 0.21 0.16 0.50 0.02 0.00 0.00 177.57 178.38 3dfy h LYS 145 N 0.52 0.32 -0.36 1.57 1.63 -1.00 0.36 116.57 119.61 3dfy h LYS 145 Ca 0.14 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 3dfy h LYS 145 Cb 0.16 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 3dfy h LYS 145 CO -0.01 0.21 0.12 1.49 -3.45 0.00 0.00 179.45 177.80 3dfy h GLU 146 N 0.33 0.55 -0.75 1.90 4.81 -0.47 -0.66 114.58 120.28 3dfy h GLU 146 Ca 0.13 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3dfy h GLU 146 Cb 0.04 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3dfy h GLU 146 CO -0.09 0.57 0.31 0.00 -0.73 0.00 0.00 179.01 179.07 3dfy h ALA 147 N 0.96 1.13 -0.54 2.92 0.00 -0.58 0.17 119.26 123.33 3dfy h ALA 147 Ca 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3dfy h ALA 147 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dfy h ALA 147 CO -0.00 0.63 0.16 -0.22 0.00 0.00 0.00 179.25 179.81 3dfy h LYS 148 N 1.09 0.84 -0.17 0.00 3.64 0.01 -0.07 116.57 121.91 3dfy h LYS 148 Ca 0.25 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3dfy h LYS 148 Cb 0.19 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3dfy h LYS 148 CO -0.02 0.78 0.01 -0.22 -2.27 0.00 0.00 179.45 177.73 3dfy h LYS 149 N 0.75 0.29 -0.83 1.90 3.64 -0.69 -2.23 116.57 119.40 3dfy h LYS 149 Ca 0.17 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3dfy h LYS 149 Cb 0.29 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 3dfy h LYS 149 CO -0.00 0.49 0.50 0.82 -2.27 0.00 0.00 179.45 178.98 3dfy h ILE 150 N 0.05 0.99 -0.58 2.00 2.04 -0.81 -2.04 117.51 119.17 3dfy h ILE 150 Ca 0.05 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3dfy h ILE 150 Cb 0.35 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3dfy h ILE 150 CO 0.01 0.16 0.32 0.15 0.00 0.00 0.00 178.15 178.78 3dfy h PHE 151 N 0.88 0.79 0.00 1.37 3.57 -0.82 -2.48 116.94 120.25 3dfy h PHE 151 Ca 0.37 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 3dfy h PHE 151 Cb 0.23 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3dfy h PHE 151 CO -0.05 0.58 -0.01 1.05 -2.23 0.00 0.00 178.31 177.66 3dfy h GLU 152 N 0.78 0.00 0.00 1.11 4.11 -0.76 -1.86 114.58 117.95 3dfy h GLU 152 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3dfy h GLU 152 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3dfy h GLU 152 CO -0.03 0.01 0.00 0.39 0.07 0.00 0.00 179.01 179.44 3dfy n GLU 153 N -3.10 0.32 0.00 1.06 1.02 -0.89 -4.87 120.64 114.18 3dfy n GLU 153 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3dfy n GLU 153 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3dfy n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dfy n GLY 154 N 0.93 0.66 3.70 0.62 0.00 -0.70 -4.80 105.19 105.61 3dfy n GLY 154 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3dfy n GLY 154 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dfy s PHE 155 N -2.00 2.80 -1.47 1.61 0.08 -1.18 -4.83 117.98 112.99 3dfy s PHE 155 Ca 0.00 0.62 0.12 0.00 0.12 0.00 0.00 56.93 57.79 3dfy s PHE 155 Cb 0.00 -3.83 0.09 0.00 -0.57 0.00 0.00 43.02 38.71 3dfy s PHE 155 CO 0.00 -3.14 0.86 0.54 -0.10 0.00 0.00 175.22 173.38 3dfy n ARG 156 N 4.93 0.81 -4.13 0.44 5.12 -1.26 -4.47 116.66 118.10 3dfy n ARG 156 Ca 0.14 -1.17 -0.31 0.00 -1.93 0.00 0.00 57.85 54.58 3dfy n ARG 156 Cb 0.41 -1.22 -0.16 0.00 -1.16 0.00 0.00 32.46 30.33 3dfy n ARG 156 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3dfy s VAL 157 N -1.06 1.76 -0.17 1.55 1.01 -1.26 0.34 120.40 122.57 3dfy s VAL 157 Ca 0.14 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3dfy s VAL 157 Cb 0.10 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.89 3dfy s VAL 157 CO 0.17 0.49 -0.18 -0.63 0.00 0.00 0.00 175.10 174.95 3dfy s ILE 158 N 1.34 1.90 -0.15 2.22 1.01 -0.22 -2.82 121.20 124.49 3dfy s ILE 158 Ca 0.03 -0.88 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 3dfy s ILE 158 Cb -0.13 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3dfy s ILE 158 CO -0.10 0.48 0.49 -0.75 0.00 0.00 0.00 174.94 175.06 3dfy s LYS 159 N 1.35 4.29 -0.16 2.79 2.20 -0.63 -1.80 119.74 127.77 3dfy s LYS 159 Ca 0.04 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 3dfy s LYS 159 Cb -0.13 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3dfy s LYS 159 CO -0.12 0.05 -0.15 0.42 -0.36 0.00 0.00 175.35 175.19 3dfy s ILE 160 N 0.99 2.64 0.11 5.43 1.01 0.14 0.21 121.20 131.72 3dfy s ILE 160 Ca 0.25 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 3dfy s ILE 160 Cb -0.15 -2.12 -0.07 0.00 0.01 0.00 0.00 42.46 40.13 3dfy s ILE 160 CO 0.10 0.51 0.80 -0.54 0.00 0.00 0.00 174.94 175.81 3dfy s LYS 161 N 0.91 4.56 0.15 2.79 -0.14 -0.59 -1.43 119.74 125.99 3dfy s LYS 161 Ca -0.03 1.16 0.00 0.00 -1.36 0.00 0.00 55.97 55.74 3dfy s LYS 161 Cb -0.15 -3.32 -0.00 0.00 -1.68 0.00 0.00 37.83 32.68 3dfy s LYS 161 CO -0.02 0.41 0.18 1.33 -0.76 0.00 0.00 175.35 176.50 3dfy n VAL 162 N 2.22 0.00 0.00 3.17 0.24 -0.60 -4.56 118.33 118.81 3dfy n VAL 162 Ca -0.03 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 3dfy n VAL 162 Cb 0.49 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 3dfy n VAL 162 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dfy n GLY 163 N -0.25 1.67 0.06 7.63 0.00 -1.26 -4.17 105.19 108.87 3dfy n GLY 163 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3dfy n GLY 163 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dfy n GLU 164 N 0.00 0.67 -3.32 1.61 1.02 -1.26 -4.44 120.64 114.91 3dfy n GLU 164 Ca 0.00 -0.09 -0.11 0.00 -0.02 0.00 0.00 57.16 56.94 3dfy n GLU 164 Cb 0.00 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 29.81 3dfy n GLU 164 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3dfy s ASN 165 N -5.04 0.63 0.19 1.62 3.84 -1.26 -5.04 114.94 109.87 3dfy s ASN 165 Ca -0.08 -0.69 -0.22 0.00 0.21 0.00 0.00 52.86 52.08 3dfy s ASN 165 Cb 0.10 0.96 0.12 0.00 -0.55 0.00 0.00 41.25 41.87 3dfy s ASN 165 CO 0.87 -0.33 1.57 0.25 -2.79 0.00 0.00 177.10 176.67 3dfy h LEU 166 N 7.91 -1.34 0.05 3.21 5.85 -1.99 0.41 115.31 129.41 3dfy h LEU 166 Ca -0.06 0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3dfy h LEU 166 Cb 1.10 0.65 -0.05 0.00 0.37 0.00 0.00 40.66 42.74 3dfy h LEU 166 CO 0.25 -0.31 -0.36 0.50 -0.34 0.00 0.00 178.44 178.18 3dfy h LYS 167 N -0.15 -0.53 -0.25 1.25 3.64 -2.00 -1.30 116.57 117.23 3dfy h LYS 167 Ca 0.24 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3dfy h LYS 167 Cb 0.56 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3dfy h LYS 167 CO -0.75 -0.35 -0.18 0.93 -2.27 0.00 0.00 179.45 176.83 3dfy h GLU 168 N -0.55 0.45 -0.47 1.90 5.08 -1.80 -2.49 114.58 116.70 3dfy h GLU 168 Ca 0.05 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3dfy h GLU 168 Cb 0.61 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3dfy h GLU 168 CO -0.26 0.61 0.24 -0.44 -1.00 0.00 0.00 179.01 178.17 3dfy h ASP 169 N 0.41 0.59 -0.87 1.42 3.32 0.21 0.26 116.42 121.76 3dfy h ASP 169 Ca 0.07 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3dfy h ASP 169 Cb 0.55 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 3dfy h ASP 169 CO 0.04 0.53 0.45 0.40 -1.72 0.00 0.00 179.24 178.93 3dfy h ILE 170 N 0.61 1.26 -0.03 0.35 2.04 -1.06 -1.27 117.51 119.40 3dfy h ILE 170 Ca 0.16 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3dfy h ILE 170 Cb 0.08 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3dfy h ILE 170 CO -0.02 0.30 -0.00 -0.08 0.00 0.00 0.00 178.15 178.35 3dfy h GLU 171 N 1.23 0.06 -0.58 2.37 4.81 -0.98 -2.48 114.58 119.01 3dfy h GLU 171 Ca 0.30 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.60 3dfy h GLU 171 Cb 0.08 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.38 3dfy h GLU 171 CO -0.04 0.39 0.21 0.00 -0.73 0.00 0.00 179.01 178.83 3dfy h ALA 172 N 0.67 0.74 -0.58 2.92 0.00 -0.25 -0.23 119.26 122.53 3dfy h ALA 172 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3dfy h ALA 172 Cb 0.36 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3dfy h ALA 172 CO 0.00 -0.20 0.28 0.28 0.00 0.00 0.00 179.25 179.61 3dfy h VAL 173 N 0.39 1.21 -0.44 0.00 2.07 -1.20 0.28 116.25 118.55 3dfy h VAL 173 Ca 0.29 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3dfy h VAL 173 Cb 0.35 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3dfy h VAL 173 CO -0.30 0.24 0.14 -0.08 0.02 0.00 0.00 177.57 177.59 3dfy h GLU 174 N 0.79 0.69 -0.62 1.57 4.81 -0.90 -1.37 114.58 119.54 3dfy h GLU 174 Ca 0.20 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3dfy h GLU 174 Cb 0.12 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3dfy h GLU 174 CO -0.02 0.67 0.18 0.93 -0.73 0.00 0.00 179.01 180.03 3dfy h GLU 175 N 0.58 0.97 -0.71 1.92 4.39 -0.82 -2.59 114.58 118.31 3dfy h GLU 175 Ca 0.14 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 3dfy h GLU 175 Cb 0.26 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3dfy h GLU 175 CO -0.00 0.87 0.27 0.82 -1.16 0.00 0.00 179.01 179.80 3dfy h ILE 176 N 0.89 1.25 -0.21 3.13 2.04 -0.77 -2.66 117.51 121.19 3dfy h ILE 176 Ca 0.20 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3dfy h ILE 176 Cb 0.31 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3dfy h ILE 176 CO -0.00 0.32 -0.01 0.00 0.00 0.00 0.00 178.15 178.45 3dfy h ALA 177 N 1.13 1.60 -0.59 1.87 0.00 -1.04 -2.41 119.26 119.81 3dfy h ALA 177 Ca 0.24 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3dfy h ALA 177 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3dfy h ALA 177 CO -0.02 0.30 0.10 0.87 0.00 0.00 0.00 179.25 180.50 3dfy h LYS 178 N 0.30 0.95 -0.72 0.00 1.57 -1.10 -3.11 116.57 114.45 3dfy h LYS 178 Ca 0.07 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3dfy h LYS 178 Cb 0.23 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3dfy h LYS 178 CO 0.01 0.88 0.00 1.33 -0.57 0.00 0.00 179.45 181.09 3dfy n VAL 179 N -4.23 1.25 -2.75 0.50 0.24 -1.01 -4.37 118.33 107.96 3dfy n VAL 179 Ca 0.04 -1.05 0.01 0.00 -2.04 0.00 0.00 64.34 61.30 3dfy n VAL 179 Cb 0.27 0.38 0.04 0.00 -1.47 0.00 0.00 33.84 33.06 3dfy n VAL 179 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3dfy n THR 180 N 1.52 0.92 -1.68 3.34 -2.24 -0.94 -4.76 114.28 110.44 3dfy n THR 180 Ca 0.25 -2.40 -0.45 0.00 -2.27 0.00 0.00 64.05 59.19 3dfy n THR 180 Cb 0.71 1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 70.13 3dfy n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dfy n ARG 181 N -0.31 2.34 0.00 -0.78 1.74 -1.20 -1.84 116.66 116.61 3dfy n ARG 181 Ca 0.07 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 3dfy n ARG 181 Cb 0.89 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 3dfy n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dfy n GLY 182 N 3.58 0.97 3.94 -0.13 0.00 -1.26 -5.09 105.19 107.19 3dfy n GLY 182 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3dfy n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy s ALA 183 N -2.10 3.68 0.16 4.61 0.00 -0.77 -5.00 121.76 122.34 3dfy s ALA 183 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.14 3dfy s ALA 183 Cb 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 3dfy s ALA 183 CO 0.00 0.00 0.28 0.15 0.00 0.00 0.00 175.76 176.19 3dfy s LYS 184 N -4.24 3.41 0.00 0.00 -0.14 0.15 -4.98 119.74 113.95 3dfy s LYS 184 Ca 0.41 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 54.44 3dfy s LYS 184 Cb -0.10 -2.94 -0.02 0.00 -1.68 0.00 0.00 37.83 33.10 3dfy s LYS 184 CO 0.36 0.51 -0.18 0.71 -0.76 0.00 0.00 175.35 175.99 3dfy s TYR 185 N -1.77 1.58 -0.13 3.18 2.02 -1.26 -1.05 117.35 119.93 3dfy s TYR 185 Ca 0.34 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 3dfy s TYR 185 Cb -0.11 -1.00 0.01 0.00 -0.40 0.00 0.00 41.96 40.47 3dfy s TYR 185 CO 0.28 0.00 -0.18 0.42 -1.57 0.00 0.00 175.55 174.51 3dfy s ILE 186 N -0.54 1.74 -0.16 2.71 1.01 -0.75 -0.52 121.20 124.70 3dfy s ILE 186 Ca 0.06 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 3dfy s ILE 186 Cb -0.07 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 3dfy s ILE 186 CO 0.00 0.49 -0.05 -0.69 0.00 0.00 0.00 174.94 174.69 3dfy s VAL 187 N 1.01 3.69 -0.24 2.92 1.01 -0.17 0.24 120.40 128.86 3dfy s VAL 187 Ca -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3dfy s VAL 187 Cb -0.15 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.66 3dfy s VAL 187 CO -0.04 0.48 -0.12 -0.62 0.00 0.00 0.00 175.10 174.81 3dfy s ASP 188 N 0.55 4.04 0.00 3.32 -1.08 -0.52 0.72 116.67 123.70 3dfy s ASP 188 Ca -0.04 -1.19 0.27 0.00 -0.52 0.00 0.00 52.55 51.07 3dfy s ASP 188 Cb -0.15 -1.45 0.95 0.00 -1.46 0.00 0.00 42.92 40.81 3dfy s ASP 188 CO 0.03 -0.16 1.68 0.00 0.52 0.00 0.00 175.17 177.24 3dfy n ALA 189 N 4.52 2.87 -4.19 3.66 0.00 -0.81 -1.55 120.51 125.01 3dfy n ALA 189 Ca -0.15 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 3dfy n ALA 189 Cb 0.44 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 3dfy n ALA 189 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dfy n ASN 190 N -0.45 -2.05 -1.14 0.00 4.13 -1.16 -0.36 115.26 114.23 3dfy n ASN 190 Ca 0.15 -1.30 -0.15 0.00 1.68 0.00 0.00 54.58 54.96 3dfy n ASN 190 Cb 0.33 -1.58 -0.06 0.00 -1.54 0.00 0.00 39.78 36.93 3dfy n ASN 190 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3dfy n MET 191 N -4.90 -1.58 0.22 3.52 2.81 0.70 -4.80 117.12 113.08 3dfy n MET 191 Ca -0.20 1.02 0.11 0.00 -1.81 0.00 0.00 57.70 56.82 3dfy n MET 191 Cb 0.62 -5.42 0.35 0.00 -0.71 0.00 0.00 33.22 28.06 3dfy n MET 191 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3dfy h GLY 192 N 0.00 0.00 -2.77 3.03 0.00 -0.62 -3.35 103.07 99.37 3dfy h GLY 192 Ca -0.30 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.53 3dfy h GLY 192 CO 0.44 0.00 -0.48 -0.19 0.00 0.00 0.00 176.54 176.31 3dfy s TYR 193 N -3.40 3.04 0.65 5.60 2.02 -0.17 -4.84 117.35 120.25 3dfy s TYR 193 Ca 0.03 -0.19 -0.04 0.00 -0.37 0.00 0.00 57.07 56.51 3dfy s TYR 193 Cb 0.08 -1.59 0.05 0.00 -0.40 0.00 0.00 41.96 40.10 3dfy s TYR 193 CO 0.64 0.36 0.93 0.95 -1.57 0.00 0.00 175.55 176.86 3dfy s THR 194 N -2.20 2.41 0.14 -0.71 -4.23 -1.26 -4.12 115.64 105.67 3dfy s THR 194 Ca 0.37 -0.41 -0.18 0.00 -1.18 0.00 0.00 61.69 60.28 3dfy s THR 194 Cb -0.07 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.78 3dfy s THR 194 CO 0.26 0.00 1.71 1.56 -0.54 0.00 0.00 174.62 177.61 3dfy h GLN 195 N -0.36 0.06 -0.64 3.99 4.20 -1.93 0.89 115.11 121.32 3dfy h GLN 195 Ca -0.44 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.19 3dfy h GLN 195 Cb 1.31 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.05 3dfy h GLN 195 CO 0.57 0.04 0.10 0.87 -0.67 0.00 0.00 178.83 179.74 3dfy h LYS 196 N 0.06 1.06 -0.57 1.46 1.79 -1.98 -1.98 116.57 116.41 3dfy h LYS 196 Ca 0.14 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.26 3dfy h LYS 196 Cb 0.19 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3dfy h LYS 196 CO -0.25 0.98 0.08 0.93 -1.08 0.00 0.00 179.45 180.11 3dfy h GLU 197 N 0.99 0.95 -0.86 3.15 5.08 -1.84 -1.20 114.58 120.86 3dfy h GLU 197 Ca 0.20 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3dfy h GLU 197 Cb 0.44 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3dfy h GLU 197 CO 0.01 0.92 0.49 0.00 -1.00 0.00 0.00 179.01 179.43 3dfy h ALA 198 N 1.00 1.10 -0.39 3.43 0.00 -0.61 0.18 119.26 123.97 3dfy h ALA 198 Ca 0.17 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3dfy h ALA 198 Cb 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3dfy h ALA 198 CO 0.01 0.59 -0.12 0.28 0.00 0.00 0.00 179.25 180.01 3dfy h VAL 199 N 1.19 1.28 -0.52 0.00 2.07 -1.19 -2.90 116.25 116.18 3dfy h VAL 199 Ca 0.30 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3dfy h VAL 199 Cb -0.00 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3dfy h VAL 199 CO -0.05 0.41 0.29 -0.08 0.02 0.00 0.00 177.57 178.16 3dfy h GLU 200 N 0.57 0.72 -0.18 1.57 4.57 -0.79 -1.03 114.58 120.00 3dfy h GLU 200 Ca 0.09 -0.08 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 3dfy h GLU 200 Cb 0.65 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 3dfy h GLU 200 CO 0.04 0.55 -0.17 0.35 -1.18 0.00 0.00 179.01 178.60 3dfy h PHE 201 N 0.70 -0.43 -0.70 0.92 3.57 -0.92 0.49 116.94 120.57 3dfy h PHE 201 Ca 0.18 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3dfy h PHE 201 Cb 0.03 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3dfy h PHE 201 CO -0.02 -0.24 0.27 0.00 -2.23 0.00 0.00 178.31 176.09 3dfy h ALA 202 N 0.90 1.17 -0.36 2.41 0.00 -1.30 -1.81 119.26 120.27 3dfy h ALA 202 Ca 0.11 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3dfy h ALA 202 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dfy h ALA 202 CO -0.29 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.45 3dfy h ARG 203 N 1.01 0.72 -0.37 0.00 3.08 -0.60 -0.28 114.38 117.94 3dfy h ARG 203 Ca 0.23 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3dfy h ARG 203 Cb 0.20 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3dfy h ARG 203 CO -0.02 0.88 0.18 0.00 -1.07 0.00 0.00 179.97 179.94 3dfy h ALA 204 N 0.82 0.47 -0.41 0.04 0.00 -0.78 -0.34 119.26 119.07 3dfy h ALA 204 Ca 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3dfy h ALA 204 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3dfy h ALA 204 CO 0.04 0.03 0.15 0.28 0.00 0.00 0.00 179.25 179.75 3dfy h VAL 205 N 0.45 1.20 -0.96 0.00 2.07 -1.29 -2.78 116.25 114.95 3dfy h VAL 205 Ca 0.13 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.03 3dfy h VAL 205 Cb 0.11 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3dfy h VAL 205 CO -0.02 0.23 0.63 0.22 0.02 0.00 0.00 177.57 178.66 3dfy h TYR 206 N 0.51 1.19 0.00 1.57 3.20 -0.78 -1.51 116.97 121.15 3dfy h TYR 206 Ca 0.13 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3dfy h TYR 206 Cb 0.22 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 3dfy h TYR 206 CO 0.00 0.71 -0.12 1.96 -1.64 0.00 0.00 178.16 179.07 3dfy h GLN 207 N 1.25 0.00 -0.35 1.82 1.08 -0.80 -1.35 115.11 116.76 3dfy h GLN 207 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 3dfy h GLN 207 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3dfy h GLN 207 CO -0.11 0.12 0.00 1.63 -0.95 0.00 0.00 178.83 179.52 3dfy n LYS 208 N -3.60 1.61 -1.07 1.46 5.02 -0.59 -4.87 118.16 116.12 3dfy n LYS 208 Ca -0.02 -0.78 -0.03 0.00 -2.02 0.00 0.00 58.31 55.47 3dfy n LYS 208 Cb 0.25 -1.27 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 3dfy n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfy n GLY 209 N 0.70 0.51 3.83 0.72 0.00 -0.51 -5.01 105.19 105.44 3dfy n GLY 209 Ca 0.07 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 3dfy n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 210 N -1.80 4.98 -0.16 -0.61 1.01 -1.10 -5.04 121.20 118.48 3dfy s ILE 210 Ca 0.00 0.90 -0.03 0.00 0.00 0.00 0.00 60.65 61.52 3dfy s ILE 210 Cb 0.00 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 3dfy s ILE 210 CO 0.00 0.57 -0.05 -0.62 0.00 0.00 0.00 174.94 174.84 3dfy s ASP 211 N -1.05 4.66 -0.27 3.58 2.15 -1.26 -4.17 116.67 120.32 3dfy s ASP 211 Ca 0.25 -0.18 -0.06 0.00 0.43 0.00 0.00 52.55 52.99 3dfy s ASP 211 Cb -0.17 -1.76 -0.00 0.00 -0.30 0.00 0.00 42.92 40.69 3dfy s ASP 211 CO 0.14 0.15 0.05 -0.63 -0.17 0.00 0.00 175.17 174.72 3dfy s ILE 212 N 0.48 3.92 0.16 4.11 1.01 -1.26 -4.33 121.20 125.28 3dfy s ILE 212 Ca -0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 3dfy s ILE 212 Cb -0.14 -2.94 0.03 0.00 0.01 0.00 0.00 42.46 39.42 3dfy s ILE 212 CO 0.03 0.20 1.60 0.00 0.00 0.00 0.00 174.94 176.77 3dfy h ALA 213 N 8.21 0.73 -3.16 9.38 0.00 -1.18 -3.38 119.26 129.85 3dfy h ALA 213 Ca -0.35 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 53.95 3dfy h ALA 213 Cb 1.14 -0.20 -0.36 0.00 0.00 0.00 0.00 17.79 18.38 3dfy h ALA 213 CO 0.60 0.58 -0.65 0.08 0.00 0.00 0.00 179.25 179.86 3dfy s VAL 214 N -4.95 -0.20 -0.59 0.00 1.01 -1.22 -4.24 120.40 110.22 3dfy s VAL 214 Ca -0.12 0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 3dfy s VAL 214 Cb 0.12 -0.26 0.15 0.00 0.00 0.00 0.00 36.38 36.40 3dfy s VAL 214 CO 0.85 0.14 0.51 -0.47 0.00 0.00 0.00 175.10 176.12 3dfy s TYR 215 N 2.07 3.43 -0.03 5.22 5.04 0.12 -1.00 117.35 132.20 3dfy s TYR 215 Ca 0.01 -1.72 -0.27 0.00 -2.44 0.00 0.00 57.07 52.65 3dfy s TYR 215 Cb -0.12 -3.67 -0.03 0.00 0.35 0.00 0.00 41.96 38.49 3dfy s TYR 215 CO -0.05 -0.99 0.86 -2.00 -1.34 0.00 0.00 175.55 172.03 3dfy s GLU 216 N 1.10 4.51 -0.19 4.97 2.12 0.22 -0.77 118.70 130.65 3dfy s GLU 216 Ca 0.08 1.19 -0.03 0.00 0.36 0.00 0.00 54.97 56.57 3dfy s GLU 216 Cb -0.24 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.70 3dfy s GLU 216 CO -0.01 -0.01 0.16 0.94 -0.54 0.00 0.00 175.26 175.80 3dfy n GLN 217 N 3.86 -0.43 0.10 4.30 -0.06 0.34 -1.92 117.38 123.58 3dfy n GLN 217 Ca 0.03 0.24 -0.03 0.00 -2.00 0.00 0.00 57.00 55.23 3dfy n GLN 217 Cb 0.51 -0.56 0.15 0.00 -4.06 0.00 0.00 30.24 26.29 3dfy n GLN 217 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3dfy h PRO 218 N 0.63 0.17 -5.86 3.69 0.13 -1.83 0.20 132.00 129.13 3dfy h PRO 218 Ca -0.16 -0.11 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 3dfy h PRO 218 Cb 0.37 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.44 3dfy h PRO 218 CO 0.09 0.70 -0.43 0.14 -0.23 0.00 0.00 178.00 178.26 3dfy s VAL 219 N -3.79 2.05 0.73 1.56 -7.23 -1.26 -1.00 120.40 111.47 3dfy s VAL 219 Ca -0.03 -1.63 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 3dfy s VAL 219 Cb 0.12 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 3dfy s VAL 219 CO 0.78 0.00 0.53 0.54 -0.31 0.00 0.00 175.10 176.65 3dfy n ARG 220 N -1.42 0.27 0.06 4.82 1.74 -1.26 -4.12 116.66 116.76 3dfy n ARG 220 Ca -0.03 0.13 0.02 0.00 -0.77 0.00 0.00 57.85 57.21 3dfy n ARG 220 Cb 0.64 -1.84 0.37 0.00 -1.02 0.00 0.00 32.46 30.62 3dfy n ARG 220 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3dfy h ARG 221 N -0.43 0.38 0.00 5.56 0.11 -1.92 -2.87 114.38 115.22 3dfy h ARG 221 Ca -0.45 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.55 3dfy h ARG 221 Cb 1.35 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3dfy h ARG 221 CO 0.42 0.43 -0.22 0.93 0.10 0.00 0.00 179.97 181.63 3dfy h GLU 222 N 0.37 0.00 -3.89 0.08 4.39 -1.95 -3.41 114.58 110.17 3dfy h GLU 222 Ca 0.08 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 59.06 3dfy h GLU 222 Cb 0.28 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 3dfy h GLU 222 CO 0.01 0.00 2.94 -3.47 -1.16 0.00 0.00 179.01 177.33 3dfy n ASP 223 N -2.43 4.16 -0.21 1.42 2.03 -1.08 -4.72 116.55 115.72 3dfy n ASP 223 Ca 0.04 -2.89 -0.08 0.00 0.52 0.00 0.00 54.79 52.38 3dfy n ASP 223 Cb 0.46 -1.62 0.05 0.00 -0.72 0.00 0.00 41.12 39.29 3dfy n ASP 223 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3dfy h ILE 224 N 3.93 1.26 0.00 5.18 1.08 -1.84 -2.00 117.51 125.13 3dfy h ILE 224 Ca 0.54 -1.09 -0.05 0.00 -0.39 0.00 0.00 64.86 63.87 3dfy h ILE 224 Cb 0.63 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 3dfy h ILE 224 CO 1.84 0.40 -0.22 -0.33 -0.69 0.00 0.00 178.15 179.15 3dfy h GLU 225 N 0.99 0.00 -0.39 2.37 4.39 -1.98 -2.36 114.58 117.60 3dfy h GLU 225 Ca 0.18 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 3dfy h GLU 225 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3dfy h GLU 225 CO 0.02 0.22 -0.23 0.78 -1.16 0.00 0.00 179.01 178.64 3dfy h GLY 226 N 0.67 0.93 0.87 -3.84 0.00 -1.77 -0.99 103.07 98.94 3dfy h GLY 226 Ca -0.00 -0.86 0.03 0.00 0.00 0.00 0.00 47.33 46.50 3dfy h GLY 226 CO 0.03 0.78 0.52 1.41 0.00 0.00 0.00 176.54 179.28 3dfy h LEU 227 N 0.66 0.85 -0.56 3.11 3.38 -0.98 -0.77 115.31 121.00 3dfy h LEU 227 Ca 0.08 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3dfy h LEU 227 Cb 0.80 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3dfy h LEU 227 CO 0.07 0.59 0.16 0.50 0.09 0.00 0.00 178.44 179.84 3dfy h LYS 228 N 1.00 0.88 0.11 1.13 3.64 -1.20 0.96 116.57 123.10 3dfy h LYS 228 Ca 0.32 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3dfy h LYS 228 Cb 0.01 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3dfy h LYS 228 CO -0.11 0.81 -0.07 0.35 -2.27 0.00 0.00 179.45 178.16 3dfy h PHE 229 N 0.79 -0.18 -0.58 1.91 3.57 -0.49 -0.15 116.94 121.81 3dfy h PHE 229 Ca 0.18 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3dfy h PHE 229 Cb 0.31 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3dfy h PHE 229 CO 0.02 -0.11 0.38 0.28 -2.23 0.00 0.00 178.31 176.65 3dfy h VAL 230 N -0.18 1.15 -0.84 1.41 2.07 -1.03 -2.02 116.25 116.80 3dfy h VAL 230 Ca -0.01 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.33 3dfy h VAL 230 Cb 0.15 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 3dfy h VAL 230 CO 0.01 0.14 0.49 -0.09 0.02 0.00 0.00 177.57 178.14 3dfy h ARG 231 N 0.78 0.80 -0.60 1.57 2.43 -0.41 0.43 114.38 119.38 3dfy h ARG 231 Ca 0.21 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3dfy h ARG 231 Cb -0.09 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 3dfy h ARG 231 CO -0.05 0.53 0.15 0.35 -1.51 0.00 0.00 179.97 179.45 3dfy h PHE 232 N 0.83 1.00 0.00 2.20 3.57 -0.33 -3.23 116.94 120.98 3dfy h PHE 232 Ca 0.40 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3dfy h PHE 232 Cb 0.34 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 3dfy h PHE 232 CO -0.05 0.84 -1.07 0.72 -2.23 0.00 0.00 178.31 176.52 3dfy n HIS 233 N -4.36 0.98 -2.51 0.41 8.25 -0.92 -4.92 115.22 112.15 3dfy n HIS 233 Ca 0.03 0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 57.37 3dfy n HIS 233 Cb 0.24 -0.99 -0.03 0.00 1.12 0.00 0.00 29.99 30.33 3dfy n HIS 233 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3dfy s SER 234 N -5.43 7.21 0.00 0.41 0.15 0.15 -4.92 113.70 111.27 3dfy s SER 234 Ca -0.01 1.98 0.29 0.00 0.70 0.00 0.00 55.95 58.91 3dfy s SER 234 Cb 0.09 -2.59 1.31 0.00 -1.71 0.00 0.00 66.02 63.13 3dfy s SER 234 CO 0.79 -0.33 1.96 -0.81 1.20 0.00 0.00 173.24 176.05 3dfy n PRO 235 N 3.30 0.13 -4.15 5.44 -0.04 -1.26 -4.81 135.00 133.62 3dfy n PRO 235 Ca 0.06 -0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 3dfy n PRO 235 Cb 0.47 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 3dfy n PRO 235 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dfy s PHE 236 N -2.87 2.96 0.28 0.54 0.08 -1.26 -5.03 117.98 112.68 3dfy s PHE 236 Ca 0.18 -0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.87 3dfy s PHE 236 Cb 0.19 -1.48 -0.11 0.00 -0.57 0.00 0.00 43.02 41.05 3dfy s PHE 236 CO 0.51 0.49 1.50 -2.14 -0.10 0.00 0.00 175.22 175.48 3dfy s PRO 237 N -2.58 4.20 -0.15 0.24 0.02 -1.26 -4.82 135.00 130.65 3dfy s PRO 237 Ca 0.27 2.43 -0.06 0.00 0.02 0.00 0.00 61.00 63.66 3dfy s PRO 237 Cb -0.11 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3dfy s PRO 237 CO 0.19 -0.50 0.04 0.08 -0.33 0.00 0.00 177.00 176.48 3dfy s VAL 238 N -0.18 4.65 0.12 3.83 1.01 -1.26 0.13 120.40 128.70 3dfy s VAL 238 Ca 0.60 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.57 3dfy s VAL 238 Cb -0.44 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3dfy s VAL 238 CO 0.48 0.52 -0.19 0.00 0.00 0.00 0.00 175.10 175.90 3dfy s ALA 239 N -0.08 2.64 -0.14 5.51 0.00 0.05 -0.81 121.76 128.92 3dfy s ALA 239 Ca 0.06 -1.36 -0.06 0.00 0.00 0.00 0.00 51.96 50.59 3dfy s ALA 239 Cb -0.12 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3dfy s ALA 239 CO 0.01 0.59 0.09 0.00 0.00 0.00 0.00 175.76 176.45 3dfy s ALA 240 N -1.13 3.61 0.00 0.00 0.00 -0.26 -0.51 121.76 123.47 3dfy s ALA 240 Ca 0.17 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3dfy s ALA 240 Cb -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.13 3dfy s ALA 240 CO 0.09 0.44 0.00 -3.47 0.00 0.00 0.00 175.76 172.82 3dfy n ASP 241 N 2.63 0.00 0.05 0.00 -0.08 -1.26 -0.49 116.55 117.41 3dfy n ASP 241 Ca -0.18 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.29 3dfy n ASP 241 Cb 0.54 0.00 0.71 0.00 2.34 0.00 0.00 41.12 44.70 3dfy n ASP 241 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3dfy h GLU 242 N 0.00 0.00 0.00 -0.67 3.07 -1.94 0.27 114.58 115.31 3dfy h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dfy h GLU 242 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3dfy h GLU 242 CO 0.00 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 178.04 3dfy n SER 243 N -4.26 0.10 -3.93 1.42 7.64 -1.26 -4.46 113.62 108.87 3dfy n SER 243 Ca 0.08 0.51 -0.30 0.00 1.01 0.00 0.00 58.87 60.17 3dfy n SER 243 Cb 0.53 -0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 3dfy n SER 243 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dfy s ALA 244 N -3.02 3.14 -0.13 -0.43 0.00 0.96 -4.76 121.76 117.53 3dfy s ALA 244 Ca 0.12 -3.13 -0.00 0.00 0.00 0.00 0.00 51.96 48.95 3dfy s ALA 244 Cb 0.16 -2.11 -0.08 0.00 0.00 0.00 0.00 23.12 21.09 3dfy s ALA 244 CO 0.48 -1.99 -0.12 0.54 0.00 0.00 0.00 175.76 174.67 3dfy n ARG 245 N 3.27 0.32 -4.23 0.00 1.74 -1.26 -4.82 116.66 111.68 3dfy n ARG 245 Ca 0.05 0.08 -0.24 0.00 -0.77 0.00 0.00 57.85 56.97 3dfy n ARG 245 Cb 0.33 -1.22 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3dfy n ARG 245 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3dfy s THR 246 N -2.26 2.62 0.45 0.55 -4.23 -1.26 -3.37 115.64 108.15 3dfy s THR 246 Ca -0.18 -1.83 0.24 0.00 -1.18 0.00 0.00 61.69 58.74 3dfy s THR 246 Cb 0.05 -2.91 0.27 0.00 1.34 0.00 0.00 72.50 71.25 3dfy s THR 246 CO 0.29 -0.13 2.07 0.07 -0.54 0.00 0.00 174.62 176.38 3dfy h LYS 247 N 1.64 0.00 -0.14 3.99 2.10 -1.95 -1.49 116.57 120.72 3dfy h LYS 247 Ca -0.43 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.03 3dfy h LYS 247 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3dfy h LYS 247 CO 0.67 0.12 -0.69 0.74 -2.00 0.00 0.00 179.45 178.30 3dfy h PHE 248 N 0.00 0.77 -0.93 0.07 0.04 -1.97 -0.96 116.94 113.96 3dfy h PHE 248 Ca -0.00 -0.32 -0.01 0.00 2.80 0.00 0.00 57.97 60.44 3dfy h PHE 248 Cb 0.28 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 3dfy h PHE 248 CO 0.00 1.10 0.56 -0.44 -0.60 0.00 0.00 178.31 178.93 3dfy h ASP 249 N 0.42 1.13 -0.28 2.17 3.32 -1.62 -0.87 116.42 120.69 3dfy h ASP 249 Ca -0.02 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 3dfy h ASP 249 Cb 1.27 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 3dfy h ASP 249 CO 0.13 0.87 -0.46 0.58 -1.72 0.00 0.00 179.24 178.64 3dfy h VAL 250 N 1.29 1.29 -0.71 -1.35 2.07 -1.33 -0.57 116.25 116.94 3dfy h VAL 250 Ca 0.33 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3dfy h VAL 250 Cb -0.05 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3dfy h VAL 250 CO -0.06 0.53 0.37 -0.03 0.02 0.00 0.00 177.57 178.40 3dfy h MET 251 N 0.56 0.99 -0.28 1.57 1.85 -0.87 0.29 114.93 119.05 3dfy h MET 251 Ca 0.02 -0.12 -0.03 0.00 -0.61 0.00 0.00 59.70 58.96 3dfy h MET 251 Cb 1.06 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.89 3dfy h MET 251 CO 0.10 0.75 0.04 -0.09 -0.40 0.00 0.00 176.91 177.31 3dfy h ARG 252 N 1.00 0.46 -0.70 0.39 2.43 -0.97 -1.39 114.38 115.60 3dfy h ARG 252 Ca 0.25 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3dfy h ARG 252 Cb 0.06 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3dfy h ARG 252 CO -0.04 0.58 0.43 -0.07 -1.51 0.00 0.00 179.97 179.36 3dfy h LEU 253 N 0.27 0.68 -0.08 3.80 3.38 -0.40 -0.91 115.31 122.05 3dfy h LEU 253 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dfy h LEU 253 Cb 0.35 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dfy h LEU 253 CO 0.01 0.46 0.03 0.58 0.09 0.00 0.00 178.44 179.61 3dfy h VAL 254 N 0.81 1.13 -0.72 1.22 2.07 -0.84 -1.35 116.25 118.57 3dfy h VAL 254 Ca 0.29 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3dfy h VAL 254 Cb 0.08 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3dfy h VAL 254 CO -0.14 0.11 0.48 0.11 0.02 0.00 0.00 177.57 178.15 3dfy h LYS 255 N -0.03 0.66 -0.12 1.57 1.57 -0.89 -0.67 116.57 118.67 3dfy h LYS 255 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dfy h LYS 255 Cb 0.15 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3dfy h LYS 255 CO -0.00 0.44 0.00 0.39 -0.57 0.00 0.00 179.45 179.71 3dfy n GLU 256 N -4.49 1.78 -3.95 3.15 1.02 -0.38 -4.93 120.64 112.85 3dfy n GLU 256 Ca 0.11 -1.16 -0.27 0.00 -0.02 0.00 0.00 57.16 55.83 3dfy n GLU 256 Cb 0.28 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 3dfy n GLU 256 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dfy n GLU 257 N 0.38 -3.91 0.07 3.49 1.02 -0.26 -4.90 120.64 116.53 3dfy n GLU 257 Ca 0.17 0.47 -0.16 0.00 -0.02 0.00 0.00 57.16 57.62 3dfy n GLU 257 Cb 0.37 -4.89 -0.14 0.00 -0.02 0.00 0.00 31.44 26.75 3dfy n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dfy h ALA 258 N 0.88 0.27 -2.35 0.62 0.00 -1.59 -3.45 119.26 113.63 3dfy h ALA 258 Ca -0.61 -1.09 -0.29 0.00 0.00 0.00 0.00 54.91 52.92 3dfy h ALA 258 Cb 1.37 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 19.26 3dfy h ALA 258 CO 0.65 1.13 -0.64 0.14 0.00 0.00 0.00 179.25 180.53 3dfy s VAL 259 N -2.62 0.48 -0.14 0.00 -7.23 -1.26 -3.17 120.40 106.45 3dfy s VAL 259 Ca -0.08 -1.98 0.17 0.00 -1.81 0.00 0.00 61.98 58.28 3dfy s VAL 259 Cb 0.07 -2.32 -0.24 0.00 0.56 0.00 0.00 36.38 34.45 3dfy s VAL 259 CO 0.85 -0.27 0.33 0.47 -0.31 0.00 0.00 175.10 176.17 3dfy n ASP 260 N -0.30 0.28 -4.20 4.85 8.00 0.01 -4.97 116.55 120.23 3dfy n ASP 260 Ca -0.03 0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 3dfy n ASP 260 Cb 0.65 0.79 -0.10 0.00 -0.02 0.00 0.00 41.12 42.43 3dfy n ASP 260 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dfy s TYR 261 N -2.68 1.07 -0.06 1.24 1.51 -0.26 -1.48 117.35 116.69 3dfy s TYR 261 Ca -0.08 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.24 3dfy s TYR 261 Cb 0.08 -0.58 0.02 0.00 -0.11 0.00 0.00 41.96 41.36 3dfy s TYR 261 CO 0.84 -0.02 -0.09 0.08 -1.11 0.00 0.00 175.55 175.24 3dfy s VAL 262 N -3.06 0.94 -0.48 0.71 1.01 -0.94 -1.10 120.40 117.48 3dfy s VAL 262 Ca 0.11 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 3dfy s VAL 262 Cb 0.01 -0.89 0.05 0.00 0.00 0.00 0.00 36.38 35.55 3dfy s VAL 262 CO -0.01 0.32 0.52 0.21 0.00 0.00 0.00 175.10 176.14 3dfy s ASN 263 N 0.85 6.20 0.07 3.32 2.47 0.36 -2.10 114.94 126.11 3dfy s ASN 263 Ca -0.11 -0.95 -0.26 0.00 0.42 0.00 0.00 52.86 51.96 3dfy s ASN 263 Cb -0.15 -2.25 -0.06 0.00 -1.45 0.00 0.00 41.25 37.34 3dfy s ASN 263 CO 0.01 -0.75 0.79 -0.63 -3.72 0.00 0.00 177.10 172.80 3dfy s ILE 264 N 2.26 4.66 -0.08 -5.21 1.01 0.22 -4.67 121.20 119.39 3dfy s ILE 264 Ca 0.12 1.69 0.01 0.00 0.00 0.00 0.00 60.65 62.47 3dfy s ILE 264 Cb -0.20 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.15 3dfy s ILE 264 CO 0.11 0.38 -0.08 -0.54 0.00 0.00 0.00 174.94 174.81 3dfy s LYS 265 N -0.19 1.33 0.50 2.79 1.02 -1.26 -0.46 119.74 123.47 3dfy s LYS 265 Ca 0.39 -0.24 0.15 0.00 0.02 0.00 0.00 55.97 56.30 3dfy s LYS 265 Cb -0.21 -1.29 1.20 0.00 -0.52 0.00 0.00 37.83 37.01 3dfy s LYS 265 CO 0.24 -0.13 2.12 -0.07 -0.92 0.00 0.00 175.35 176.60 3dfy h LEU 266 N 7.55 0.08 -0.41 3.17 3.38 -1.86 -0.14 115.31 127.08 3dfy h LEU 266 Ca -0.31 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3dfy h LEU 266 Cb 1.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3dfy h LEU 266 CO 0.43 0.06 0.00 0.23 0.09 0.00 0.00 178.44 179.25 3dfy n MET 267 N -4.52 0.10 -0.12 1.13 2.81 -1.26 -0.56 117.12 114.70 3dfy n MET 267 Ca -0.01 0.37 -0.18 0.00 -1.81 0.00 0.00 57.70 56.07 3dfy n MET 267 Cb 0.12 -1.70 -0.10 0.00 -0.71 0.00 0.00 33.22 30.83 3dfy n MET 267 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3dfy n LYS 268 N -1.88 0.56 -0.01 0.03 5.02 -0.14 -2.94 118.16 118.81 3dfy n LYS 268 Ca 0.02 0.15 0.07 0.00 -2.02 0.00 0.00 58.31 56.53 3dfy n LYS 268 Cb 0.18 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.62 3dfy n LYS 268 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3dfy n SER 269 N -3.31 1.43 0.00 4.39 7.64 -0.77 -4.71 113.62 118.28 3dfy n SER 269 Ca -0.42 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.46 3dfy n SER 269 Cb 0.92 1.64 0.00 0.00 -1.01 0.00 0.00 64.21 65.76 3dfy n SER 269 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dfy n GLY 270 N 1.66 -1.35 0.22 0.23 0.00 0.28 -3.29 105.19 102.93 3dfy n GLY 270 Ca -0.05 -1.54 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 3dfy n GLY 270 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dfy h ILE 271 N 0.00 1.28 0.65 -0.61 1.08 -1.83 -2.84 117.51 115.24 3dfy h ILE 271 Ca 0.00 -1.96 -0.02 0.00 -0.39 0.00 0.00 64.86 62.49 3dfy h ILE 271 Cb 0.00 2.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 3dfy h ILE 271 CO 0.00 0.62 -0.50 0.77 -0.69 0.00 0.00 178.15 178.35 3dfy h SER 272 N 0.50 -1.32 -0.10 1.72 4.64 -1.94 -1.07 113.55 115.98 3dfy h SER 272 Ca -0.05 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3dfy h SER 272 Cb 1.38 0.41 -0.01 0.00 -0.31 0.00 0.00 62.40 63.87 3dfy h SER 272 CO 0.16 -0.71 -0.07 0.44 -0.87 0.00 0.00 176.83 175.78 3dfy h ASP 273 N -1.11 0.35 -0.81 4.97 5.19 -1.68 -2.26 116.42 121.08 3dfy h ASP 273 Ca -0.08 -0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.22 3dfy h ASP 273 Cb 0.92 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.30 3dfy h ASP 273 CO 0.02 0.46 0.36 0.00 -3.12 0.00 0.00 179.24 176.97 3dfy h ALA 274 N 1.58 1.04 -0.57 3.45 0.00 -1.29 0.20 119.26 123.67 3dfy h ALA 274 Ca 0.08 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3dfy h ALA 274 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3dfy h ALA 274 CO 0.02 0.63 0.02 -0.07 0.00 0.00 0.00 179.25 179.84 3dfy h LEU 275 N 1.15 0.95 -0.60 0.00 3.38 -0.69 -1.70 115.31 117.80 3dfy h LEU 275 Ca 0.27 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3dfy h LEU 275 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3dfy h LEU 275 CO -0.03 0.99 0.10 0.00 0.09 0.00 0.00 178.44 179.59 3dfy h ALA 276 N 1.11 0.80 -0.64 1.53 0.00 -0.84 -2.62 119.26 118.59 3dfy h ALA 276 Ca 0.17 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3dfy h ALA 276 Cb 0.50 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3dfy h ALA 276 CO 0.02 0.55 0.15 0.82 0.00 0.00 0.00 179.25 180.79 3dfy h ILE 277 N 0.89 1.25 -0.29 0.00 2.04 -0.31 -0.41 117.51 120.68 3dfy h ILE 277 Ca 0.18 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 3dfy h ILE 277 Cb 0.42 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3dfy h ILE 277 CO 0.01 0.35 0.18 0.58 0.00 0.00 0.00 178.15 179.27 3dfy h VAL 278 N 0.96 1.11 -0.60 1.67 2.07 -1.09 0.65 116.25 121.01 3dfy h VAL 278 Ca 0.20 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3dfy h VAL 278 Cb 0.35 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3dfy h VAL 278 CO 0.00 0.10 0.15 -0.33 0.02 0.00 0.00 177.57 177.52 3dfy h GLU 279 N 0.37 0.96 -0.60 1.57 4.39 -1.19 -1.20 114.58 118.88 3dfy h GLU 279 Ca 0.10 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 3dfy h GLU 279 Cb 0.02 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3dfy h GLU 279 CO -0.02 0.88 0.29 0.82 -1.16 0.00 0.00 179.01 179.82 3dfy h ILE 280 N 0.87 1.21 -0.46 3.13 2.04 -0.79 -2.31 117.51 121.19 3dfy h ILE 280 Ca 0.19 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3dfy h ILE 280 Cb 0.34 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3dfy h ILE 280 CO 0.00 0.24 0.05 0.00 0.00 0.00 0.00 178.15 178.45 3dfy h ALA 281 N 1.12 0.61 0.00 1.87 0.00 -0.58 -2.45 119.26 119.83 3dfy h ALA 281 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dfy h ALA 281 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dfy h ALA 281 CO -0.03 0.35 0.00 0.39 0.00 0.00 0.00 179.25 179.97 3dfy n GLU 282 N -4.43 0.40 0.00 0.00 1.02 -0.48 -1.59 120.64 115.56 3dfy n GLU 282 Ca 0.00 0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 3dfy n GLU 282 Cb 0.26 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.25 3dfy n GLU 282 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3dfy n SER 283 N -1.25 2.32 0.00 1.62 7.64 -0.88 -4.58 113.62 118.50 3dfy n SER 283 Ca 0.12 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.34 3dfy n SER 283 Cb 0.18 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3dfy n SER 283 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3dfy n SER 284 N 0.86 0.44 -0.28 6.43 3.41 -0.96 -5.02 113.62 118.50 3dfy n SER 284 Ca 0.09 -1.20 -0.03 0.00 -0.26 0.00 0.00 58.87 57.47 3dfy n SER 284 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 3dfy n SER 284 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfy n GLY 285 N -0.10 0.48 3.85 5.00 0.00 -0.96 -5.03 105.19 108.44 3dfy n GLY 285 Ca 0.00 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 3dfy n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dfy s LEU 286 N -0.77 4.42 0.28 0.99 2.96 -0.62 -5.01 118.68 120.93 3dfy s LEU 286 Ca 0.00 0.82 0.04 0.00 -0.22 0.00 0.00 54.13 54.77 3dfy s LEU 286 Cb 0.00 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 3dfy s LEU 286 CO 0.00 0.28 0.43 -0.54 -1.32 0.00 0.00 176.35 175.20 3dfy s LYS 287 N -1.38 3.40 0.10 1.98 -0.14 -0.55 -4.47 119.74 118.68 3dfy s LYS 287 Ca 0.26 -0.68 0.03 0.00 -1.36 0.00 0.00 55.97 54.22 3dfy s LYS 287 Cb -0.15 -2.82 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 3dfy s LYS 287 CO 0.14 0.30 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.42 3dfy s LEU 288 N -4.10 2.42 0.04 3.17 1.43 -1.26 -2.23 118.68 118.15 3dfy s LEU 288 Ca 0.37 -0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3dfy s LEU 288 Cb -0.09 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 3dfy s LEU 288 CO 0.31 -0.29 -0.03 0.00 0.23 0.00 0.00 176.35 176.57 3dfy s MET 289 N -2.91 0.51 -0.09 1.70 0.23 -0.89 -1.03 119.30 116.82 3dfy s MET 289 Ca 0.06 -1.00 0.03 0.00 -1.03 0.00 0.00 55.69 53.76 3dfy s MET 289 Cb -0.02 0.15 0.01 0.00 -1.53 0.00 0.00 34.83 33.43 3dfy s MET 289 CO -0.01 -0.08 -0.20 -1.50 -2.03 0.00 0.00 175.02 171.21 3dfy s ILE 290 N -2.97 1.73 0.00 3.16 2.07 -1.05 -0.61 121.20 123.53 3dfy s ILE 290 Ca -0.01 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.40 3dfy s ILE 290 Cb 0.01 -1.51 0.00 0.00 0.13 0.00 0.00 42.46 41.09 3dfy s ILE 290 CO -0.06 0.49 0.00 0.61 -1.91 0.00 0.00 174.94 174.06 3dfy n GLY 291 N 3.65 5.68 3.68 1.50 0.00 0.39 -0.40 105.19 119.69 3dfy n GLY 291 Ca -0.20 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.62 3dfy n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy n MET 293 N -0.52 0.00 -0.83 0.00 2.81 -1.26 -4.99 117.12 112.34 3dfy n MET 293 Ca -0.04 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.90 3dfy n MET 293 Cb 0.61 0.00 0.16 0.00 -0.71 0.00 0.00 33.22 33.28 3dfy n MET 293 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dfy n GLY 294 N 4.58 4.20 3.69 3.03 0.00 -1.26 -4.77 105.19 114.67 3dfy n GLY 294 Ca 0.00 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 3dfy n GLY 294 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dfy n GLU 295 N -0.74 1.81 -0.50 1.61 4.71 -1.26 -4.83 120.64 121.44 3dfy n GLU 295 Ca 0.16 0.65 -0.02 0.00 -0.01 0.00 0.00 57.16 57.94 3dfy n GLU 295 Cb 0.80 -2.37 0.02 0.00 -1.01 0.00 0.00 31.44 28.87 3dfy n GLU 295 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3dfy n SER 296 N 0.05 0.07 -0.22 1.62 3.41 -1.26 -3.03 113.62 114.26 3dfy n SER 296 Ca 0.08 -1.08 -0.01 0.00 -0.26 0.00 0.00 58.87 57.60 3dfy n SER 296 Cb 0.40 -0.08 0.22 0.00 -0.26 0.00 0.00 64.21 64.49 3dfy n SER 296 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dfy h SER 297 N -0.11 0.89 0.05 4.04 4.64 -1.92 0.20 113.55 121.34 3dfy h SER 297 Ca -0.04 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 3dfy h SER 297 Cb 0.11 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3dfy h SER 297 CO 0.03 0.68 -0.33 0.25 -0.87 0.00 0.00 176.83 176.60 3dfy h LEU 298 N 1.02 0.42 -0.13 5.97 6.46 -1.94 -2.04 115.31 125.07 3dfy h LEU 298 Ca 0.27 -0.16 -0.24 0.00 -0.12 0.00 0.00 57.88 57.63 3dfy h LEU 298 Cb -0.04 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 39.79 3dfy h LEU 298 CO -0.05 0.73 -0.89 1.23 -0.62 0.00 0.00 178.44 178.83 3dfy h GLY 299 N 1.08 0.74 2.00 3.75 0.00 -1.69 -3.16 103.07 105.80 3dfy h GLY 299 Ca 0.04 -1.16 -0.08 0.00 0.00 0.00 0.00 47.33 46.13 3dfy h GLY 299 CO 0.06 1.03 -0.37 1.19 0.00 0.00 0.00 176.54 178.45 3dfy h ILE 300 N 0.42 1.12 -0.77 2.60 6.09 -0.89 -1.90 117.51 124.17 3dfy h ILE 300 Ca -0.08 -1.35 0.18 0.00 -1.37 0.00 0.00 64.86 62.24 3dfy h ILE 300 Cb 1.53 1.76 -0.05 0.00 0.47 0.00 0.00 36.82 40.53 3dfy h ILE 300 CO 0.17 0.37 0.53 -1.13 -3.07 0.00 0.00 178.15 175.02 3dfy h ASN 301 N 0.00 0.25 -0.51 2.19 -1.24 -1.33 0.44 115.58 115.39 3dfy h ASN 301 Ca -0.00 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 3dfy h ASN 301 Cb 0.73 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 3dfy h ASN 301 CO 0.05 0.12 0.26 1.56 -1.29 0.00 0.00 177.43 178.13 3dfy h GLN 302 N 0.26 0.72 0.00 6.67 4.20 -1.44 -1.98 115.11 123.54 3dfy h GLN 302 Ca 0.38 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.83 3dfy h GLN 302 Cb 1.11 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 3dfy h GLN 302 CO -0.09 0.58 -0.79 0.77 -0.67 0.00 0.00 178.83 178.62 3dfy h SER 303 N 0.67 0.00 -0.15 1.46 0.02 -1.11 -2.75 113.55 111.69 3dfy h SER 303 Ca 0.18 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3dfy h SER 303 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3dfy h SER 303 CO -0.03 0.79 0.03 0.58 -1.14 0.00 0.00 176.83 177.07 3dfy h VAL 304 N 0.00 1.21 -0.72 2.27 2.07 -0.81 0.70 116.25 120.98 3dfy h VAL 304 Ca -0.01 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3dfy h VAL 304 Cb 1.52 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 3dfy h VAL 304 CO 0.10 0.20 0.27 0.45 0.02 0.00 0.00 177.57 178.61 3dfy h HIS 305 N 0.05 1.11 -0.20 1.57 -0.00 -1.43 0.53 115.15 116.78 3dfy h HIS 305 Ca 0.05 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 3dfy h HIS 305 Cb 0.28 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 3dfy h HIS 305 CO 0.01 0.86 0.13 0.35 -0.00 0.00 0.00 177.93 179.28 3dfy h PHE 306 N 1.04 0.24 -0.51 2.45 3.57 -1.29 0.34 116.94 122.78 3dfy h PHE 306 Ca 0.24 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3dfy h PHE 306 Cb 0.24 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3dfy h PHE 306 CO 0.02 0.15 0.04 0.00 -2.23 0.00 0.00 178.31 176.29 3dfy h ALA 307 N 1.08 0.68 -0.09 2.41 0.00 -0.60 -2.05 119.26 120.69 3dfy h ALA 307 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3dfy h ALA 307 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3dfy h ALA 307 CO -0.03 0.46 0.01 -0.07 0.00 0.00 0.00 179.25 179.62 3dfy h LEU 308 N 0.75 0.15 0.06 0.00 3.38 -0.63 0.59 115.31 119.61 3dfy h LEU 308 Ca 0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3dfy h LEU 308 Cb 0.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dfy h LEU 308 CO 0.02 0.39 -0.03 1.23 0.09 0.00 0.00 178.44 180.14 3dfy h GLY 309 N -0.10 -0.08 1.75 0.83 0.00 -0.31 -0.34 103.07 104.82 3dfy h GLY 309 Ca 0.03 0.03 -0.25 0.00 0.00 0.00 0.00 47.33 47.14 3dfy h GLY 309 CO 0.00 -0.03 -1.13 -0.91 0.00 0.00 0.00 176.54 174.47 3dfy h THR 310 N -0.13 1.56 -2.72 4.70 1.35 -1.44 0.05 112.91 116.28 3dfy h THR 310 Ca -0.01 -3.12 -0.32 0.00 -0.55 0.00 0.00 66.41 62.42 3dfy h THR 310 Cb 0.11 2.86 -0.05 0.00 -1.73 0.00 0.00 68.15 69.34 3dfy h THR 310 CO 0.01 0.90 -0.37 0.61 -0.25 0.00 0.00 175.52 176.43 3dfy n GLY 311 N 1.40 0.19 0.13 5.82 0.00 0.20 -4.77 105.19 108.16 3dfy n GLY 311 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.11 3dfy n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy n ALA 312 N -1.13 2.69 -2.67 4.61 0.00 -1.26 -4.92 120.51 117.82 3dfy n ALA 312 Ca -0.18 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.65 3dfy n ALA 312 Cb 0.60 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 3dfy n ALA 312 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dfy s PHE 313 N -2.31 3.10 0.06 0.00 0.08 -1.26 -4.44 117.98 113.21 3dfy s PHE 313 Ca 0.35 0.13 -0.14 0.00 0.12 0.00 0.00 56.93 57.38 3dfy s PHE 313 Cb 0.21 -1.78 -0.28 0.00 -0.57 0.00 0.00 43.02 40.59 3dfy s PHE 313 CO 0.43 0.41 1.11 0.93 -0.10 0.00 0.00 175.22 178.00 3dfy h GLU 314 N 5.28 0.62 -5.26 0.44 4.39 -1.44 -3.46 114.58 115.15 3dfy h GLU 314 Ca -0.49 -0.82 -0.39 0.00 0.34 0.00 0.00 59.36 58.00 3dfy h GLU 314 Cb 1.19 0.27 -0.20 0.00 -0.10 0.00 0.00 28.75 29.90 3dfy h GLU 314 CO 0.54 1.37 -0.77 -0.06 -1.16 0.00 0.00 179.01 178.94 3dfy s PHE 315 N -3.00 1.19 -0.12 4.33 0.08 -1.25 -5.06 117.98 114.16 3dfy s PHE 315 Ca -0.09 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.46 3dfy s PHE 315 Cb 0.06 -0.66 0.02 0.00 -0.57 0.00 0.00 43.02 41.87 3dfy s PHE 315 CO 0.93 0.06 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.97 3dfy s HIS 316 N -1.60 1.90 -0.81 0.36 3.76 -1.25 -2.52 115.29 115.14 3dfy s HIS 316 Ca 0.00 -0.97 0.02 0.00 -0.15 0.00 0.00 55.06 53.97 3dfy s HIS 316 Cb -0.08 -1.42 0.26 0.00 1.11 0.00 0.00 32.58 32.45 3dfy s HIS 316 CO 0.02 -0.54 0.96 -3.47 -0.85 0.00 0.00 174.74 170.86 3dfy n ASP 317 N 4.55 4.59 -3.54 1.40 2.03 0.46 -0.93 116.55 125.12 3dfy n ASP 317 Ca -0.17 -3.39 -0.29 0.00 0.52 0.00 0.00 54.79 51.45 3dfy n ASP 317 Cb 0.51 -0.90 -0.07 0.00 -0.72 0.00 0.00 41.12 39.94 3dfy n ASP 317 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dfy n LEU 318 N 1.20 4.08 0.00 -2.67 4.77 -1.26 -3.29 117.00 119.83 3dfy n LEU 318 Ca 0.27 -5.40 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 3dfy n LEU 318 Cb 0.38 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3dfy n LEU 318 CO 0.49 1.99 0.44 -0.90 -1.33 0.00 0.00 177.39 178.08 3dfy n ASP 319 N 0.99 1.72 -0.03 -1.43 5.75 -1.26 -4.76 116.55 117.53 3dfy n ASP 319 Ca 0.29 -1.77 0.05 0.00 -0.01 0.00 0.00 54.79 53.35 3dfy n ASP 319 Cb 0.40 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 40.91 3dfy n ASP 319 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3dfy h SER 320 N 0.00 0.49 1.14 -1.12 4.64 -1.86 -0.84 113.55 116.00 3dfy h SER 320 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dfy h SER 320 Cb 0.42 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3dfy h SER 320 CO 0.00 0.34 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 3dfy n HIS 321 N -4.47 0.58 0.11 4.77 1.44 -1.17 -2.57 115.22 113.91 3dfy n HIS 321 Ca 0.05 0.18 0.11 0.00 -2.01 0.00 0.00 57.72 56.05 3dfy n HIS 321 Cb 0.11 -0.79 -0.03 0.00 0.12 0.00 0.00 29.99 29.40 3dfy n HIS 321 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3dfy n LEU 322 N -1.98 0.69 -0.03 2.39 4.77 -0.38 -3.66 117.00 118.79 3dfy n LEU 322 Ca 0.05 0.26 0.14 0.00 -0.03 0.00 0.00 56.01 56.43 3dfy n LEU 322 Cb 0.35 -0.05 0.53 0.00 -2.33 0.00 0.00 43.42 41.92 3dfy n LEU 322 CO 0.26 -0.15 0.80 0.23 -1.33 0.00 0.00 177.39 177.21 3dfy n MET 323 N -2.57 0.23 0.00 3.23 2.81 -0.83 -4.97 117.12 115.02 3dfy n MET 323 Ca -0.01 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3dfy n MET 323 Cb 0.55 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 3dfy n MET 323 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dfy n LEU 324 N -1.33 0.00 -4.48 4.03 4.77 -1.19 -1.45 117.00 117.35 3dfy n LEU 324 Ca 0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.67 3dfy n LEU 324 Cb 0.31 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3dfy n LEU 324 CO 0.28 0.00 0.15 0.55 -1.33 0.00 0.00 177.39 177.04 3dfy n VAL 328 N 0.00 2.10 -2.17 4.08 3.14 -1.26 -4.68 118.33 119.53 3dfy n VAL 328 Ca 0.00 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.46 3dfy n VAL 328 Cb 0.00 -0.70 -0.03 0.00 -1.06 0.00 0.00 33.84 32.05 3dfy n VAL 328 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 3dfy s PHE 329 N -1.55 3.24 -0.03 1.45 5.36 -1.26 -4.92 117.98 120.27 3dfy s PHE 329 Ca 0.66 1.01 0.05 0.00 -0.96 0.00 0.00 56.93 57.68 3dfy s PHE 329 Cb -0.53 -3.67 0.07 0.00 -0.34 0.00 0.00 43.02 38.55 3dfy s PHE 329 CO 0.56 -2.29 0.93 0.54 -1.46 0.00 0.00 175.22 173.50 3dfy n ARG 330 N 3.64 1.57 -2.28 10.12 1.74 -1.26 -5.05 116.66 125.13 3dfy n ARG 330 Ca 0.10 -1.48 -0.25 0.00 -0.77 0.00 0.00 57.85 55.45 3dfy n ARG 330 Cb 0.42 -0.95 0.06 0.00 -1.02 0.00 0.00 32.46 30.97 3dfy n ARG 330 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dfy s GLY 331 N -1.23 1.69 -0.60 -0.13 0.00 -1.25 -4.14 107.32 101.64 3dfy s GLY 331 Ca 0.08 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 43.91 3dfy s GLY 331 CO 0.01 -0.55 1.23 0.28 0.00 0.00 0.00 173.10 174.06 3dfy n LYS 332 N -2.80 3.50 -3.91 2.90 5.02 -1.26 -4.98 118.16 116.63 3dfy n LYS 332 Ca 0.07 -4.55 -0.09 0.00 -2.02 0.00 0.00 58.31 51.72 3dfy n LYS 332 Cb 0.60 -2.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 3dfy n LYS 332 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3dfy s PHE 333 N -3.66 0.14 -0.21 2.13 -0.12 -1.26 -4.78 117.98 110.22 3dfy s PHE 333 Ca 0.48 -0.60 -0.08 0.00 -0.05 0.00 0.00 56.93 56.68 3dfy s PHE 333 Cb 0.34 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 43.21 3dfy s PHE 333 CO -0.19 -1.23 0.08 0.42 -0.05 0.00 0.00 175.22 174.25 3dfy s ILE 334 N -3.53 4.71 -0.32 -4.49 1.01 0.14 -4.94 121.20 113.79 3dfy s ILE 334 Ca 0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 3dfy s ILE 334 Cb -0.04 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 3dfy s ILE 334 CO 0.10 0.40 0.18 -1.58 0.00 0.00 0.00 174.94 174.04 3dfy s GLN 335 N 0.87 3.36 -0.45 2.79 2.00 -1.26 -0.71 119.66 126.26 3dfy s GLN 335 Ca 0.04 -0.71 0.02 0.00 -2.00 0.00 0.00 55.36 52.71 3dfy s GLN 335 Cb -0.14 -3.63 0.13 0.00 0.80 0.00 0.00 33.01 30.17 3dfy s GLN 335 CO 0.03 -0.43 0.22 0.34 -0.50 0.00 0.00 175.29 174.95 3dfy s ASP 336 N 1.64 3.89 1.49 6.67 -1.08 0.14 -5.01 116.67 124.42 3dfy s ASP 336 Ca 0.05 -2.63 0.00 0.00 -0.52 0.00 0.00 52.55 49.45 3dfy s ASP 336 Cb -0.17 -1.20 0.00 0.00 -1.46 0.00 0.00 42.92 40.09 3dfy s ASP 336 CO 0.07 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.10 3dfy n GLY 337 N 3.56 2.76 0.00 2.66 0.00 -1.26 -1.04 105.19 111.87 3dfy n GLY 337 Ca 0.07 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.91 3dfy n GLY 337 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dfy n PRO 338 N 13.57 0.31 -3.68 1.61 -0.02 -1.26 -4.84 135.00 140.69 3dfy n PRO 338 Ca 0.00 0.04 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 3dfy n PRO 338 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 3dfy n PRO 338 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3dfy s ARG 339 N -2.64 3.63 -0.05 -0.52 0.52 -0.21 -1.05 118.95 118.63 3dfy s ARG 339 Ca 0.23 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.40 3dfy s ARG 339 Cb 0.18 -2.93 0.02 0.00 0.52 0.00 0.00 34.95 32.73 3dfy s ARG 339 CO 0.41 0.53 -0.07 -1.64 0.02 0.00 0.00 175.30 174.55 3dfy s MET 340 N -2.34 1.11 0.09 3.54 -1.94 -0.34 0.27 119.30 119.70 3dfy s MET 340 Ca 0.37 -0.21 -0.01 0.00 -1.71 0.00 0.00 55.69 54.13 3dfy s MET 340 Cb -0.13 -1.02 -0.04 0.00 2.01 0.00 0.00 34.83 35.65 3dfy s MET 340 CO 0.22 -0.05 0.03 -0.98 -0.01 0.00 0.00 175.02 174.23 3dfy s ARG 341 N 0.84 0.79 0.43 2.03 1.70 0.12 -1.69 118.95 123.16 3dfy s ARG 341 Ca -0.12 -1.32 -0.22 0.00 -0.47 0.00 0.00 55.73 53.60 3dfy s ARG 341 Cb -0.15 0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.37 3dfy s ARG 341 CO 0.01 -0.20 1.00 0.54 -1.08 0.00 0.00 175.30 175.58 3dfy s VAL 342 N -3.98 4.01 -2.32 4.99 0.11 -1.13 0.29 120.40 122.37 3dfy s VAL 342 Ca 0.16 1.37 0.19 0.00 -2.93 0.00 0.00 61.98 60.76 3dfy s VAL 342 Cb 0.08 -3.62 0.15 0.00 -1.53 0.00 0.00 36.38 31.45 3dfy s VAL 342 CO -0.04 -0.16 1.09 1.17 -3.33 0.00 0.00 175.10 173.83