#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxe n GLU 4 N 0.00 1.10 -5.03 3.23 1.02 0.98 -4.63 120.64 117.31 1xxe n GLU 4 Ca 0.00 0.39 -0.32 0.00 -0.02 0.00 0.00 57.16 57.21 1xxe n GLU 4 Cb 0.00 -1.77 -0.15 0.00 -0.02 0.00 0.00 31.44 29.50 1xxe n GLU 4 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1xxe s LYS 5 N -1.64 2.87 0.29 3.49 2.47 -1.26 0.10 119.74 126.05 1xxe s LYS 5 Ca 0.61 -0.79 0.04 0.00 -1.56 0.00 0.00 55.97 54.27 1xxe s LYS 5 Cb -0.66 -2.37 -0.03 0.00 -1.46 0.00 0.00 37.83 33.30 1xxe s LYS 5 CO 0.58 0.35 0.20 -0.08 0.16 0.00 0.00 175.35 176.57 1xxe s THR 6 N -0.05 0.12 0.20 3.43 -1.32 -0.71 -2.32 115.64 114.98 1xxe s THR 6 Ca -0.05 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.18 1xxe s THR 6 Cb -0.14 -2.50 -0.08 0.00 -1.51 0.00 0.00 72.50 68.27 1xxe s THR 6 CO 0.04 0.00 0.81 0.68 -2.21 0.00 0.00 174.62 173.94 1xxe s VAL 7 N -3.67 4.35 0.04 5.08 -7.23 -1.26 0.68 120.40 118.39 1xxe s VAL 7 Ca 0.38 1.70 -0.18 0.00 -1.81 0.00 0.00 61.98 62.06 1xxe s VAL 7 Cb 0.04 -4.10 -0.17 0.00 0.56 0.00 0.00 36.38 32.71 1xxe s VAL 7 CO 0.20 0.43 1.25 0.50 -0.31 0.00 0.00 175.10 177.18 1xxe h LYS 8 N 4.03 0.48 -5.13 4.82 3.64 -0.25 -3.42 116.57 120.75 1xxe h LYS 8 Ca -0.47 -0.36 -0.34 0.00 -1.27 0.00 0.00 60.65 58.21 1xxe h LYS 8 Cb 1.20 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 32.94 1xxe h LYS 8 CO 0.66 0.98 -0.71 -1.21 -2.27 0.00 0.00 179.45 176.89 1xxe s GLU 9 N -3.82 1.10 0.14 1.90 2.02 -1.26 -4.97 118.70 113.82 1xxe s GLU 9 Ca -0.13 -1.47 -0.31 0.00 0.02 0.00 0.00 54.97 53.07 1xxe s GLU 9 Cb 0.05 -0.68 -0.09 0.00 0.10 0.00 0.00 34.13 33.51 1xxe s GLU 9 CO 0.81 0.08 1.46 0.21 0.02 0.00 0.00 175.26 177.84 1xxe s LYS 10 N -3.74 4.28 0.41 1.61 2.36 -1.26 -4.81 119.74 118.59 1xxe s LYS 10 Ca 0.18 2.19 0.07 0.00 -2.55 0.00 0.00 55.97 55.86 1xxe s LYS 10 Cb 0.02 -3.20 -0.06 0.00 -1.05 0.00 0.00 37.83 33.54 1xxe s LYS 10 CO 0.02 -0.50 0.15 -0.51 1.55 0.00 0.00 175.35 176.06 1xxe s LEU 11 N 1.03 3.08 -0.08 5.43 1.43 -0.77 -4.96 118.68 123.84 1xxe s LEU 11 Ca 0.66 -1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 52.37 1xxe s LEU 11 Cb -0.40 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.54 1xxe s LEU 11 CO 0.31 -0.52 0.62 -0.94 0.23 0.00 0.00 176.35 176.05 1xxe s SER 12 N -3.87 -0.59 0.28 2.29 1.04 -1.26 -1.39 113.70 110.20 1xxe s SER 12 Ca 0.40 0.73 0.04 0.00 0.48 0.00 0.00 55.95 57.59 1xxe s SER 12 Cb 0.05 0.65 -0.06 0.00 0.10 0.00 0.00 66.02 66.76 1xxe s SER 12 CO 0.22 -0.51 0.03 -0.36 0.98 0.00 0.00 173.24 173.59 1xxe s PHE 13 N -0.93 1.78 -0.21 5.02 0.08 -0.30 -4.95 117.98 118.46 1xxe s PHE 13 Ca -0.09 -0.95 -0.15 0.00 0.12 0.00 0.00 56.93 55.85 1xxe s PHE 13 Cb -0.02 -1.09 0.06 0.00 -0.57 0.00 0.00 43.02 41.40 1xxe s PHE 13 CO 0.07 -0.03 0.53 -1.83 -0.10 0.00 0.00 175.22 173.87 1xxe s GLU 14 N -3.88 0.57 0.00 0.44 -1.05 -1.26 -1.65 118.70 111.86 1xxe s GLU 14 Ca 0.33 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 56.01 1xxe s GLU 14 Cb 0.07 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1xxe s GLU 14 CO 0.13 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.63 1xxe n GLY 15 N 3.53 1.73 3.77 -3.83 0.00 -0.84 -4.94 105.19 104.61 1xxe n GLY 15 Ca -0.18 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 1xxe n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxe s VAL 16 N -2.00 4.18 0.48 1.61 0.11 -1.26 -2.25 120.40 121.27 1xxe s VAL 16 Ca 0.00 1.91 -0.21 0.00 -2.93 0.00 0.00 61.98 60.75 1xxe s VAL 16 Cb 0.00 -4.18 -0.08 0.00 -1.53 0.00 0.00 36.38 30.59 1xxe s VAL 16 CO 0.00 0.38 1.09 -0.83 -3.33 0.00 0.00 175.10 172.41 1xxe s GLY 17 N -1.33 2.64 0.13 6.54 0.00 -0.73 -2.13 107.32 112.44 1xxe s GLY 17 Ca 0.43 0.75 -0.12 0.00 0.00 0.00 0.00 44.72 45.78 1xxe s GLY 17 CO 0.28 1.13 1.46 1.19 0.00 0.00 0.00 173.10 177.15 1xxe h ILE 18 N 1.67 1.28 0.16 0.90 2.10 -1.82 0.31 117.51 122.11 1xxe h ILE 18 Ca -0.49 -1.57 -0.34 0.00 1.08 0.00 0.00 64.86 63.53 1xxe h ILE 18 Cb 1.23 1.45 -0.00 0.00 -1.09 0.00 0.00 36.82 38.41 1xxe h ILE 18 CO 0.59 0.52 -1.74 0.45 -1.08 0.00 0.00 178.15 176.90 1xxe h HIS 19 N 0.71 0.60 0.00 2.19 -0.00 -1.88 2.97 115.15 119.73 1xxe h HIS 19 Ca 0.05 -0.44 -0.19 0.00 -0.00 0.00 0.00 60.37 59.80 1xxe h HIS 19 Cb 0.99 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.35 1xxe h HIS 19 CO 0.07 1.60 -1.18 1.15 -0.00 0.00 0.00 177.93 179.57 1xxe h THR 20 N 0.09 0.88 -1.70 2.45 2.02 -1.92 -1.21 112.91 113.51 1xxe h THR 20 Ca -0.33 -2.45 -0.34 0.00 0.77 0.00 0.00 66.41 64.05 1xxe h THR 20 Cb 2.07 2.35 -0.07 0.00 -1.74 0.00 0.00 68.15 70.76 1xxe h THR 20 CO 0.16 0.50 -0.38 0.61 0.37 0.00 0.00 175.52 176.78 1xxe n GLY 21 N 1.38 0.58 3.75 2.16 0.00 0.10 -4.57 105.19 108.58 1xxe n GLY 21 Ca -0.06 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1xxe n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xxe s GLU 22 N -4.22 2.83 0.09 1.61 2.56 -1.26 -4.77 118.70 115.54 1xxe s GLU 22 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 54.97 53.97 1xxe s GLU 22 Cb 0.00 -2.70 -0.07 0.00 2.00 0.00 0.00 34.13 33.36 1xxe s GLU 22 CO 0.00 0.58 1.33 -0.47 -0.56 0.00 0.00 175.26 176.13 1xxe s TYR 23 N -1.32 3.30 0.05 5.30 5.04 -1.26 -1.77 117.35 126.69 1xxe s TYR 23 Ca 0.27 1.06 -0.00 0.00 -2.44 0.00 0.00 57.07 55.96 1xxe s TYR 23 Cb -0.12 -3.60 -0.03 0.00 0.35 0.00 0.00 41.96 38.56 1xxe s TYR 23 CO 0.19 -2.02 -0.04 0.45 -1.34 0.00 0.00 175.55 172.79 1xxe s SER 24 N 1.11 0.58 0.08 4.32 0.15 -0.95 -4.86 113.70 114.13 1xxe s SER 24 Ca 0.63 -0.85 0.04 0.00 0.70 0.00 0.00 55.95 56.46 1xxe s SER 24 Cb -0.34 0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 1xxe s SER 24 CO 0.30 -0.48 -0.10 -0.75 1.20 0.00 0.00 173.24 173.41 1xxe s LYS 25 N -3.17 0.78 0.06 5.44 2.20 -0.85 -1.99 119.74 122.21 1xxe s LYS 25 Ca 0.01 -1.05 0.06 0.00 -0.36 0.00 0.00 55.97 54.64 1xxe s LYS 25 Cb 0.02 -0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 35.78 1xxe s LYS 25 CO -0.06 0.09 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.34 1xxe s LEU 26 N -2.17 2.23 -0.05 5.43 1.43 -0.66 -0.82 118.68 124.07 1xxe s LEU 26 Ca 0.01 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1xxe s LEU 26 Cb -0.05 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.47 1xxe s LEU 26 CO 0.00 0.04 0.03 -0.63 0.23 0.00 0.00 176.35 176.02 1xxe s ILE 27 N -1.02 0.13 -0.16 -0.59 1.01 -0.40 -1.15 121.20 119.02 1xxe s ILE 27 Ca 0.03 0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 1xxe s ILE 27 Cb -0.09 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1xxe s ILE 27 CO 0.02 0.20 -0.08 -0.63 0.00 0.00 0.00 174.94 174.45 1xxe s ILE 28 N 1.82 3.37 0.11 2.92 1.01 -0.49 0.33 121.20 130.27 1xxe s ILE 28 Ca 0.01 -0.53 0.11 0.00 0.00 0.00 0.00 60.65 60.24 1xxe s ILE 28 Cb -0.12 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1xxe s ILE 28 CO -0.03 0.49 -0.27 -1.00 0.00 0.00 0.00 174.94 174.13 1xxe s HIS 29 N 0.64 2.31 0.97 3.97 3.76 -0.95 -1.84 115.29 124.15 1xxe s HIS 29 Ca -0.05 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 1xxe s HIS 29 Cb -0.15 -1.28 0.16 0.00 1.11 0.00 0.00 32.58 32.42 1xxe s HIS 29 CO 0.03 0.29 1.02 -0.35 -0.85 0.00 0.00 174.74 174.88 1xxe n PRO 30 N 1.09 -0.80 -2.55 8.40 -0.04 -1.26 -1.75 135.00 138.10 1xxe n PRO 30 Ca -0.18 -0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.05 1xxe n PRO 30 Cb 0.53 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.70 1xxe n PRO 30 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xxe n GLU 31 N -4.04 0.50 -3.18 0.54 -0.58 -1.26 -4.61 120.64 108.01 1xxe n GLU 31 Ca 0.10 -0.80 -0.29 0.00 -0.42 0.00 0.00 57.16 55.75 1xxe n GLU 31 Cb 0.53 0.54 -0.03 0.00 -0.57 0.00 0.00 31.44 31.91 1xxe n GLU 31 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1xxe s LYS 32 N -2.35 3.65 0.34 3.49 2.20 -1.26 -4.95 119.74 120.86 1xxe s LYS 32 Ca 0.07 0.10 -0.25 0.00 -0.36 0.00 0.00 55.97 55.53 1xxe s LYS 32 Cb 0.00 -2.57 -0.14 0.00 -1.51 0.00 0.00 37.83 33.62 1xxe s LYS 32 CO 0.05 0.12 0.72 0.39 -0.36 0.00 0.00 175.35 176.27 1xxe n GLU 33 N -1.17 0.77 -2.40 4.03 4.71 -1.26 -1.21 120.64 124.12 1xxe n GLU 33 Ca -0.01 0.28 -0.20 0.00 -0.01 0.00 0.00 57.16 57.22 1xxe n GLU 33 Cb 0.54 -1.56 -0.01 0.00 -1.01 0.00 0.00 31.44 29.40 1xxe n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xxe n GLY 34 N 1.60 -0.47 0.13 0.62 0.00 -1.26 -4.86 105.19 100.94 1xxe n GLY 34 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1xxe n GLY 34 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xxe h THR 35 N 0.00 1.34 0.00 2.61 2.02 -1.35 -3.50 112.91 114.02 1xxe h THR 35 Ca -0.47 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 63.86 1xxe h THR 35 Cb 1.35 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 70.72 1xxe h THR 35 CO 0.55 0.85 0.00 0.61 0.37 0.00 0.00 175.52 177.90 1xxe n GLY 36 N 1.65 -3.37 3.63 2.16 0.00 0.40 -4.89 105.19 104.77 1xxe n GLY 36 Ca -0.14 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 1xxe n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxe s ILE 37 N -0.75 5.22 -0.00 -0.61 -1.09 -1.24 -2.16 121.20 120.57 1xxe s ILE 37 Ca 0.00 0.13 -0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1xxe s ILE 37 Cb 0.00 -3.43 -0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1xxe s ILE 37 CO 0.00 0.35 0.00 0.00 -1.23 0.00 0.00 174.94 174.06 1xxe s ARG 38 N 1.10 0.00 0.17 2.79 1.70 -1.04 -2.17 118.95 121.50 1xxe s ARG 38 Ca 0.07 -0.00 -0.06 0.00 -0.47 0.00 0.00 55.73 55.26 1xxe s ARG 38 Cb -0.14 0.00 -0.06 0.00 -0.57 0.00 0.00 34.95 34.18 1xxe s ARG 38 CO 0.05 -0.00 0.43 -0.06 -1.08 0.00 0.00 175.30 174.63 1xxe s PHE 39 N -0.01 3.46 -0.01 5.89 0.08 -0.70 -1.06 117.98 125.63 1xxe s PHE 39 Ca -0.00 0.65 0.02 0.00 0.12 0.00 0.00 56.93 57.72 1xxe s PHE 39 Cb -0.00 -2.08 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1xxe s PHE 39 CO -0.00 0.38 -0.07 0.12 -0.10 0.00 0.00 175.22 175.55 1xxe s PHE 40 N -1.71 0.66 -0.24 0.36 2.19 0.12 0.42 117.98 119.77 1xxe s PHE 40 Ca 0.43 -0.12 -0.28 0.00 0.33 0.00 0.00 56.93 57.28 1xxe s PHE 40 Cb -0.12 -0.42 0.16 0.00 -1.31 0.00 0.00 43.02 41.33 1xxe s PHE 40 CO 0.24 -0.01 1.21 0.21 1.83 0.00 0.00 175.22 178.69 1xxe s LYS 41 N -0.16 0.30 -1.51 10.12 2.20 -0.29 -1.17 119.74 129.23 1xxe s LYS 41 Ca 0.03 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1xxe s LYS 41 Cb -0.03 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1xxe s LYS 41 CO -0.00 -0.08 0.00 0.09 -0.36 0.00 0.00 175.35 175.00 1xxe n ASN 42 N 0.95 -5.09 -1.41 1.43 4.13 -1.26 -0.65 115.26 113.36 1xxe n ASN 42 Ca -0.07 0.09 -0.13 0.00 1.68 0.00 0.00 54.58 56.15 1xxe n ASN 42 Cb 0.58 -4.28 -0.01 0.00 -1.54 0.00 0.00 39.78 34.53 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xxe n GLY 43 N -0.90 0.02 2.99 7.41 0.00 -1.26 -5.00 105.19 108.45 1xxe n GLY 43 Ca -0.21 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1xxe n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxe s VAL 44 N -2.62 0.45 -0.01 1.61 1.01 0.18 -5.15 120.40 115.87 1xxe s VAL 44 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1xxe s VAL 44 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1xxe s VAL 44 CO 0.00 -0.03 0.15 -0.31 0.00 0.00 0.00 175.10 174.91 1xxe s TYR 45 N -0.50 3.46 -0.33 5.22 1.51 -1.26 -1.14 117.35 124.31 1xxe s TYR 45 Ca -0.02 0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1xxe s TYR 45 Cb -0.04 -1.80 0.12 0.00 -0.11 0.00 0.00 41.96 40.13 1xxe s TYR 45 CO -0.00 0.62 0.17 0.42 -1.11 0.00 0.00 175.55 175.65 1xxe s ILE 46 N -1.29 0.22 0.42 2.71 1.01 0.17 -4.93 121.20 119.51 1xxe s ILE 46 Ca 0.26 -1.39 -0.23 0.00 0.00 0.00 0.00 60.65 59.29 1xxe s ILE 46 Cb -0.12 -1.18 -0.12 0.00 0.01 0.00 0.00 42.46 41.05 1xxe s ILE 46 CO 0.17 -0.86 0.74 -2.65 0.00 0.00 0.00 174.94 172.34 1xxe n PRO 47 N 4.52 0.86 -3.03 2.79 -0.02 -1.26 -1.72 135.00 137.13 1xxe n PRO 47 Ca 0.04 0.31 -0.44 0.00 -2.02 0.00 0.00 63.50 61.39 1xxe n PRO 47 Cb 0.39 -1.72 -0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1xxe n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xxe s ALA 48 N -1.39 4.10 0.06 3.55 0.00 -0.92 -4.81 121.76 122.35 1xxe s ALA 48 Ca 0.64 -3.41 0.01 0.00 0.00 0.00 0.00 51.96 49.20 1xxe s ALA 48 Cb -0.59 -3.99 -0.03 0.00 0.00 0.00 0.00 23.12 18.51 1xxe s ALA 48 CO 0.57 -2.66 -0.05 1.03 0.00 0.00 0.00 175.76 174.64 1xxe s ARG 49 N 1.07 0.60 0.17 0.00 0.52 -1.26 -4.52 118.95 115.53 1xxe s ARG 49 Ca 0.39 -1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 54.42 1xxe s ARG 49 Cb -0.05 -0.07 0.12 0.00 0.52 0.00 0.00 34.95 35.48 1xxe s ARG 49 CO -0.03 -0.03 1.68 1.12 0.02 0.00 0.00 175.30 178.06 1xxe h HIS 50 N 3.74 -0.13 0.00 -0.53 2.07 -1.94 0.17 115.15 118.53 1xxe h HIS 50 Ca -0.34 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1xxe h HIS 50 Cb 1.18 0.12 0.00 0.00 2.57 0.00 0.00 27.41 31.28 1xxe h HIS 50 CO 0.60 -0.14 0.64 0.93 -3.07 0.00 0.00 177.93 176.90 1xxe h GLU 51 N 0.05 0.00 -0.21 5.12 5.08 -1.96 2.93 114.58 125.59 1xxe h GLU 51 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1xxe h GLU 51 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xxe h GLU 51 CO -0.40 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 178.80 1xxe n PHE 52 N -2.02 0.25 -1.80 4.33 3.72 0.58 -4.91 117.46 117.61 1xxe n PHE 52 Ca -0.00 -0.13 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 1xxe n PHE 52 Cb 0.65 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.16 1xxe n PHE 52 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xxe s VAL 53 N -1.75 3.23 -0.08 -4.37 1.01 0.98 -2.87 120.40 116.56 1xxe s VAL 53 Ca 0.34 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.68 1xxe s VAL 53 Cb 0.21 -3.19 -0.11 0.00 0.00 0.00 0.00 36.38 33.29 1xxe s VAL 53 CO 0.31 -0.03 0.04 1.33 0.00 0.00 0.00 175.10 176.74 1xxe n VAL 54 N 5.66 0.55 -3.66 2.92 0.24 -1.01 -4.95 118.33 118.08 1xxe n VAL 54 Ca 0.19 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 62.04 1xxe n VAL 54 Cb 0.42 -0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 31.98 1xxe n VAL 54 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xxe s HIS 55 N -2.23 -0.69 -0.12 6.34 5.65 -1.20 -5.06 115.29 117.97 1xxe s HIS 55 Ca -0.04 1.37 -0.01 0.00 0.25 0.00 0.00 55.06 56.63 1xxe s HIS 55 Cb 0.03 0.22 -0.02 0.00 -1.18 0.00 0.00 32.58 31.62 1xxe s HIS 55 CO 0.35 -0.44 -0.09 0.95 -0.65 0.00 0.00 174.74 174.86 1xxe s THR 56 N 2.47 3.42 0.00 0.89 -4.23 -1.26 -1.89 115.64 115.03 1xxe s THR 56 Ca -0.02 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1xxe s THR 56 Cb -0.12 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1xxe s THR 56 CO -0.12 0.54 0.00 -0.46 -0.54 0.00 0.00 174.62 174.04 1xxe n ASN 57 N 3.14 0.00 0.05 3.99 6.94 -1.26 -4.88 115.26 123.24 1xxe n ASN 57 Ca -0.18 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.40 1xxe n ASN 57 Cb 0.53 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 38.01 1xxe n ASN 57 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1xxe n HIS 58 N 0.00 0.08 -4.18 -2.53 8.25 -1.26 -4.41 115.22 111.17 1xxe n HIS 58 Ca 0.00 0.04 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 1xxe n HIS 58 Cb 0.00 -0.26 -0.10 0.00 1.12 0.00 0.00 29.99 30.75 1xxe n HIS 58 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xxe s SER 59 N -2.58 0.41 -0.27 0.41 0.15 -1.26 -5.06 113.70 105.50 1xxe s SER 59 Ca -0.00 -1.25 -0.10 0.00 0.70 0.00 0.00 55.95 55.29 1xxe s SER 59 Cb 0.01 0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.56 1xxe s SER 59 CO 0.02 -0.74 0.16 -0.89 1.20 0.00 0.00 173.24 172.99 1xxe s THR 60 N -4.02 5.09 -0.07 6.45 2.01 -1.26 -4.60 115.64 119.24 1xxe s THR 60 Ca 0.28 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.42 1xxe s THR 60 Cb 0.07 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1xxe s THR 60 CO 0.05 0.28 -0.20 -1.81 -0.69 0.00 0.00 174.62 172.25 1xxe s ASP 61 N 1.63 3.47 0.19 3.53 1.01 -0.80 -0.67 116.67 125.04 1xxe s ASP 61 Ca 0.07 -0.41 0.09 0.00 0.71 0.00 0.00 52.55 53.01 1xxe s ASP 61 Cb -0.15 -1.03 -0.04 0.00 1.01 0.00 0.00 42.92 42.70 1xxe s ASP 61 CO 0.09 0.25 -0.19 -0.76 0.21 0.00 0.00 175.17 174.76 1xxe s LEU 62 N -0.16 2.48 -0.26 1.23 1.43 -0.63 -2.40 118.68 120.37 1xxe s LEU 62 Ca -0.03 -0.91 -0.27 0.00 -1.03 0.00 0.00 54.13 51.89 1xxe s LEU 62 Cb -0.14 -0.90 0.17 0.00 0.03 0.00 0.00 46.19 45.35 1xxe s LEU 62 CO 0.04 -0.02 1.25 -0.83 0.23 0.00 0.00 176.35 177.02 1xxe s GLY 63 N -2.89 0.05 0.01 -3.19 0.00 -1.14 0.23 107.32 100.40 1xxe s GLY 63 Ca 0.20 2.83 -0.07 0.00 0.00 0.00 0.00 44.72 47.68 1xxe s GLY 63 CO 0.08 1.46 0.13 -0.12 0.00 0.00 0.00 173.10 174.65 1xxe s PHE 64 N -0.53 0.08 -1.59 1.90 5.36 0.23 -4.81 117.98 118.62 1xxe s PHE 64 Ca 0.05 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 1xxe s PHE 64 Cb -0.03 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.59 1xxe s PHE 64 CO -0.08 -0.32 0.00 1.63 -1.46 0.00 0.00 175.22 174.99 1xxe n LYS 65 N 1.22 -1.61 -0.36 10.12 4.76 -1.26 -0.22 118.16 130.82 1xxe n LYS 65 Ca -0.22 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 1xxe n LYS 65 Cb 0.56 -5.33 0.00 0.00 -1.84 0.00 0.00 35.03 28.43 1xxe n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xxe n GLY 66 N -0.54 0.70 3.82 0.72 0.00 -1.26 -5.05 105.19 103.58 1xxe n GLY 66 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1xxe n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xxe s GLN 67 N -0.64 3.83 0.03 1.61 -1.52 0.70 -5.09 119.66 118.58 1xxe s GLN 67 Ca 0.00 0.12 0.04 0.00 -1.95 0.00 0.00 55.36 53.58 1xxe s GLN 67 Cb 0.00 -3.26 -0.02 0.00 -0.22 0.00 0.00 33.01 29.51 1xxe s GLN 67 CO 0.00 0.61 -0.13 1.03 -0.25 0.00 0.00 175.29 176.55 1xxe s ARG 68 N -0.67 0.90 -0.01 2.91 3.00 -1.26 -0.60 118.95 123.22 1xxe s ARG 68 Ca 0.18 -0.67 0.04 0.00 0.00 0.00 0.00 55.73 55.28 1xxe s ARG 68 Cb -0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 34.95 33.92 1xxe s ARG 68 CO 0.07 0.22 -0.12 0.42 0.00 0.00 0.00 175.30 175.90 1xxe s ILE 69 N -0.74 0.95 0.04 1.52 1.01 0.14 -4.79 121.20 119.32 1xxe s ILE 69 Ca 0.01 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.20 1xxe s ILE 69 Cb -0.07 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1xxe s ILE 69 CO 0.01 0.26 -0.14 -0.54 0.00 0.00 0.00 174.94 174.53 1xxe s LYS 70 N -0.31 2.22 -0.80 2.79 1.02 -0.70 -1.61 119.74 122.35 1xxe s LYS 70 Ca 0.04 -0.91 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 1xxe s LYS 70 Cb -0.05 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 1xxe s LYS 70 CO -0.00 0.55 0.70 2.41 -0.92 0.00 0.00 175.35 178.09 1xxe n THR 71 N 1.42 -8.71 0.30 2.17 -1.04 0.16 -2.30 114.28 106.27 1xxe n THR 71 Ca -0.15 -0.31 0.03 0.00 -2.04 0.00 0.00 64.05 61.57 1xxe n THR 71 Cb 0.52 -6.08 0.01 0.00 -1.82 0.00 0.00 70.33 62.95 1xxe n THR 71 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1xxe n VAL 72 N -2.14 0.00 0.08 12.58 0.24 -1.21 -4.32 118.33 123.56 1xxe n VAL 72 Ca -0.07 -0.45 -0.03 0.00 -2.04 0.00 0.00 64.34 61.76 1xxe n VAL 72 Cb 0.55 1.10 0.19 0.00 -1.47 0.00 0.00 33.84 34.20 1xxe n VAL 72 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1xxe h GLU 73 N 0.91 0.29 0.91 7.34 4.11 -1.87 -2.59 114.58 123.69 1xxe h GLU 73 Ca 0.00 -0.15 -0.04 0.00 0.07 0.00 0.00 59.36 59.24 1xxe h GLU 73 Cb 0.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1xxe h GLU 73 CO 0.00 0.68 -0.44 0.45 0.07 0.00 0.00 179.01 179.77 1xxe h HIS 74 N 0.24 -1.14 -0.87 2.06 3.86 -1.91 0.27 115.15 117.66 1xxe h HIS 74 Ca 0.02 -0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1xxe h HIS 74 Cb 0.87 0.38 -0.07 0.00 1.06 0.00 0.00 27.41 29.64 1xxe h HIS 74 CO 0.02 -0.71 0.52 0.97 0.86 0.00 0.00 177.93 179.59 1xxe h ILE 75 N -1.32 0.94 -0.49 2.45 6.09 -1.86 0.14 117.51 123.45 1xxe h ILE 75 Ca -0.13 -0.30 -0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1xxe h ILE 75 Cb 0.94 -0.01 -0.02 0.00 0.47 0.00 0.00 36.82 38.19 1xxe h ILE 75 CO 0.21 0.16 0.28 -0.07 -3.07 0.00 0.00 178.15 175.66 1xxe h LEU 76 N 0.88 0.58 -0.07 2.19 3.38 -1.22 -2.25 115.31 118.79 1xxe h LEU 76 Ca 0.41 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 1xxe h LEU 76 Cb 0.35 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1xxe h LEU 76 CO -0.24 0.46 0.04 -1.28 0.09 0.00 0.00 178.44 177.51 1xxe h SER 77 N 0.67 0.09 0.19 -0.43 0.87 0.24 -0.16 113.55 115.01 1xxe h SER 77 Ca 0.18 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1xxe h SER 77 Cb -0.01 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1xxe h SER 77 CO -0.03 0.11 -0.15 0.58 -0.53 0.00 0.00 176.83 176.81 1xxe h VAL 78 N 0.05 0.67 -0.84 2.23 2.07 -1.07 -1.75 116.25 117.61 1xxe h VAL 78 Ca 0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.71 1xxe h VAL 78 Cb 0.05 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 1xxe h VAL 78 CO -0.00 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.90 1xxe h LEU 79 N -0.36 0.40 0.16 2.57 3.38 -1.23 0.35 115.31 120.59 1xxe h LEU 79 Ca -0.01 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1xxe h LEU 79 Cb 0.32 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1xxe h LEU 79 CO -0.01 0.12 -0.35 -0.74 0.09 0.00 0.00 178.44 177.55 1xxe h HIS 80 N 0.51 -0.95 -0.70 1.13 2.76 -0.17 0.36 115.15 118.09 1xxe h HIS 80 Ca 0.48 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.69 1xxe h HIS 80 Cb 0.76 0.40 -0.04 0.00 1.55 0.00 0.00 27.41 30.08 1xxe h HIS 80 CO -0.13 -0.46 0.46 -0.07 -1.30 0.00 0.00 177.93 176.43 1xxe h LEU 81 N -0.61 0.76 0.00 0.26 3.38 -0.64 -0.58 115.31 117.88 1xxe h LEU 81 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 81 Cb 0.62 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1xxe h LEU 81 CO -0.18 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.07 1xxe n LEU 82 N -4.45 0.00 -2.95 1.67 4.77 -0.00 -4.94 117.00 111.10 1xxe n LEU 82 Ca 0.08 0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1xxe n LEU 82 Cb 0.08 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1xxe n LEU 82 CO 0.35 -0.02 0.08 -0.62 -1.33 0.00 0.00 177.39 175.85 1xxe n GLU 83 N -1.47 -1.75 -3.94 3.23 1.02 0.12 -5.00 120.64 112.85 1xxe n GLU 83 Ca 0.08 0.85 -0.35 0.00 -0.02 0.00 0.00 57.16 57.72 1xxe n GLU 83 Cb 0.31 -5.15 -0.09 0.00 -0.02 0.00 0.00 31.44 26.50 1xxe n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xxe s ILE 84 N -3.27 5.03 -0.00 -3.67 -1.09 -1.01 -4.29 121.20 112.90 1xxe s ILE 84 Ca 0.31 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.80 1xxe s ILE 84 Cb -0.04 -3.25 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 1xxe s ILE 84 CO 0.63 0.49 0.02 0.35 -1.23 0.00 0.00 174.94 175.20 1xxe n THR 85 N 3.18 0.02 -3.86 2.92 -2.24 -0.98 -4.89 114.28 108.43 1xxe n THR 85 Ca -0.17 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 1xxe n THR 85 Cb 0.53 0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 68.70 1xxe n THR 85 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xxe s ASN 86 N -2.40 3.25 -0.28 3.42 0.01 -1.23 -0.45 114.94 117.25 1xxe s ASN 86 Ca -0.01 -0.91 -0.21 0.00 -0.71 0.00 0.00 52.86 51.03 1xxe s ASN 86 Cb 0.01 -0.92 0.11 0.00 0.41 0.00 0.00 41.25 40.85 1xxe s ASN 86 CO 0.05 -0.24 0.88 0.68 -1.51 0.00 0.00 177.10 176.96 1xxe s VAL 87 N 1.61 0.00 -0.52 1.60 -7.23 -0.92 -4.00 120.40 110.94 1xxe s VAL 87 Ca -0.02 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.02 1xxe s VAL 87 Cb -0.17 -1.00 0.13 0.00 0.56 0.00 0.00 36.38 35.90 1xxe s VAL 87 CO -0.07 0.00 0.44 -0.89 -0.31 0.00 0.00 175.10 174.26 1xxe s THR 88 N 0.84 4.74 -0.23 5.32 2.01 -0.71 -2.50 115.64 125.11 1xxe s THR 88 Ca -0.03 -1.67 -0.23 0.00 0.31 0.00 0.00 61.69 60.07 1xxe s THR 88 Cb -0.05 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 1xxe s THR 88 CO -0.10 -0.83 0.74 -0.63 -0.69 0.00 0.00 174.62 173.12 1xxe s ILE 89 N 1.44 4.91 -0.29 1.82 1.01 -0.22 -2.25 121.20 127.62 1xxe s ILE 89 Ca 0.05 1.40 -0.11 0.00 0.00 0.00 0.00 60.65 61.98 1xxe s ILE 89 Cb -0.28 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 1xxe s ILE 89 CO 0.01 -0.01 0.20 -1.61 0.00 0.00 0.00 174.94 173.53 1xxe s GLU 90 N 2.53 3.89 -0.40 2.79 2.02 0.15 0.11 118.70 129.80 1xxe s GLU 90 Ca 0.32 -0.36 -0.10 0.00 0.02 0.00 0.00 54.97 54.85 1xxe s GLU 90 Cb -0.16 -3.68 0.06 0.00 0.10 0.00 0.00 34.13 30.45 1xxe s GLU 90 CO 0.09 -0.22 0.24 0.08 0.02 0.00 0.00 175.26 175.47 1xxe s VAL 91 N 1.76 4.39 -0.47 2.63 1.01 -0.31 -1.27 120.40 128.14 1xxe s VAL 91 Ca 0.07 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.66 1xxe s VAL 91 Cb -0.16 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1xxe s VAL 91 CO 0.11 -0.39 0.79 -0.63 0.00 0.00 0.00 175.10 174.98 1xxe s ILE 92 N 1.49 4.63 -2.65 2.22 1.09 0.00 -4.68 121.20 123.30 1xxe s ILE 92 Ca 0.02 0.34 0.00 0.00 -1.10 0.00 0.00 60.65 59.91 1xxe s ILE 92 Cb -0.21 -4.35 0.00 0.00 -1.06 0.00 0.00 42.46 36.84 1xxe s ILE 92 CO 0.04 -0.78 0.00 0.61 -0.10 0.00 0.00 174.94 174.72 1xxe n GLY 93 N 5.02 0.77 0.00 6.18 0.00 -1.26 -2.01 105.19 113.89 1xxe n GLY 93 Ca 0.02 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1xxe n GLY 93 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xxe n ASN 94 N 0.04 2.47 -4.02 1.61 5.03 -1.26 -5.00 115.26 114.12 1xxe n ASN 94 Ca 0.00 -0.17 -0.20 0.00 0.87 0.00 0.00 54.58 55.08 1xxe n ASN 94 Cb 0.00 0.84 -0.15 0.00 -1.02 0.00 0.00 39.78 39.45 1xxe n ASN 94 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1xxe s GLU 95 N -1.33 0.94 0.11 3.52 1.03 -1.26 -1.71 118.70 119.99 1xxe s GLU 95 Ca 0.00 -0.34 -0.31 0.00 0.03 0.00 0.00 54.97 54.35 1xxe s GLU 95 Cb 0.00 -0.88 -0.08 0.00 -0.80 0.00 0.00 34.13 32.37 1xxe s GLU 95 CO 0.00 0.16 1.41 0.42 -1.33 0.00 0.00 175.26 175.92 1xxe s ILE 96 N 0.00 3.27 0.04 1.83 -1.09 -0.97 -4.54 121.20 119.74 1xxe s ILE 96 Ca -0.00 0.90 -0.38 0.00 -2.23 0.00 0.00 60.65 58.94 1xxe s ILE 96 Cb -0.07 -3.58 -0.17 0.00 -1.58 0.00 0.00 42.46 37.06 1xxe s ILE 96 CO 0.00 0.06 1.34 -2.65 -1.23 0.00 0.00 174.94 172.46 1xxe n PRO 97 N 4.07 0.96 0.15 2.79 -0.02 -1.26 -4.49 135.00 137.21 1xxe n PRO 97 Ca 0.12 0.35 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 1xxe n PRO 97 Cb 0.42 -1.97 0.13 0.00 -0.02 0.00 0.00 33.50 32.06 1xxe n PRO 97 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xxe h ILE 98 N 3.45 0.95 0.00 4.25 6.09 -1.70 -3.47 117.51 127.09 1xxe h ILE 98 Ca -0.48 -2.07 0.00 0.00 -1.37 0.00 0.00 64.86 60.94 1xxe h ILE 98 Cb 1.35 2.27 0.00 0.00 0.47 0.00 0.00 36.82 40.91 1xxe h ILE 98 CO 0.78 0.49 0.00 0.18 -3.07 0.00 0.00 178.15 176.53 1xxe n LEU 99 N -3.36 0.00 0.05 2.19 4.77 -1.26 -0.84 117.00 118.55 1xxe n LEU 99 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1xxe n LEU 99 Cb 0.67 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1xxe n LEU 99 CO 0.40 0.00 -0.19 -0.67 -1.33 0.00 0.00 177.39 175.60 1xxe n ASP 100 N 8.45 0.55 0.00 -1.43 -0.08 -1.26 -4.60 116.55 118.18 1xxe n ASP 100 Ca 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1xxe n ASP 100 Cb 0.00 0.97 0.00 0.00 2.34 0.00 0.00 41.12 44.43 1xxe n ASP 100 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xxe n GLY 101 N 1.27 2.09 0.00 0.27 0.00 -0.02 -4.27 105.19 104.53 1xxe n GLY 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xxe n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xxe n SER 102 N 0.00 0.83 -0.15 1.61 3.41 -1.26 -1.86 113.62 116.20 1xxe n SER 102 Ca 0.00 -0.97 0.03 0.00 -0.26 0.00 0.00 58.87 57.67 1xxe n SER 102 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1xxe n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xxe n GLY 103 N 5.00 -0.33 0.36 5.00 0.00 -0.84 -4.65 105.19 109.72 1xxe n GLY 103 Ca 0.00 -0.16 0.22 0.00 0.00 0.00 0.00 46.02 46.08 1xxe n GLY 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1xxe h TRP 104 N 0.72 0.90 0.16 1.61 2.91 -1.76 0.15 115.95 120.63 1xxe h TRP 104 Ca 0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1xxe h TRP 104 Cb 0.20 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 1xxe h TRP 104 CO 0.00 -0.05 -0.08 0.93 -1.03 0.00 0.00 178.44 178.22 1xxe h GLU 105 N 0.42 -0.21 -0.34 2.65 5.08 -1.89 0.65 114.58 120.94 1xxe h GLU 105 Ca 0.68 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 59.04 1xxe h GLU 105 Cb 1.53 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 1xxe h GLU 105 CO -0.50 -0.05 0.16 0.74 -1.00 0.00 0.00 179.01 178.36 1xxe h PHE 106 N -0.32 0.50 -0.65 4.33 0.04 -1.36 -1.52 116.94 117.96 1xxe h PHE 106 Ca -0.02 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 1xxe h PHE 106 Cb 0.25 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1xxe h PHE 106 CO -0.04 0.44 0.31 -0.92 -0.60 0.00 0.00 178.31 177.51 1xxe h TYR 107 N 0.42 0.92 -0.05 -0.55 3.20 -0.63 -0.61 116.97 119.68 1xxe h TYR 107 Ca 0.12 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1xxe h TYR 107 Cb 0.14 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1xxe h TYR 107 CO -0.01 0.68 -0.05 0.93 -1.64 0.00 0.00 178.16 178.07 1xxe h GLU 108 N 0.92 0.11 0.03 1.82 4.39 0.73 -2.13 114.58 120.46 1xxe h GLU 108 Ca 0.23 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1xxe h GLU 108 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1xxe h GLU 108 CO -0.03 0.58 -0.01 0.00 -1.16 0.00 0.00 179.01 178.38 1xxe h ALA 109 N 0.54 -0.04 -0.56 3.43 0.00 -1.22 -3.22 119.26 118.18 1xxe h ALA 109 Ca 0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1xxe h ALA 109 Cb 0.56 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1xxe h ALA 109 CO 0.01 -0.14 0.25 0.82 0.00 0.00 0.00 179.25 180.19 1xxe h ILE 110 N -0.81 1.21 -0.38 0.00 2.04 -1.25 -2.25 117.51 116.08 1xxe h ILE 110 Ca -0.00 -0.64 0.11 0.00 1.00 0.00 0.00 64.86 65.33 1xxe h ILE 110 Cb 0.70 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1xxe h ILE 110 CO 0.01 0.25 0.27 -0.09 0.00 0.00 0.00 178.15 178.59 1xxe h ARG 111 N 0.77 0.00 0.00 2.37 1.12 -1.50 0.29 114.38 117.43 1xxe h ARG 111 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 1xxe h ARG 111 Cb 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 1xxe h ARG 111 CO -0.02 0.00 -0.18 1.17 -3.11 0.00 0.00 179.97 177.83 1xxe n LYS 112 N -4.41 0.20 -0.95 0.20 4.81 -0.87 -3.78 118.16 113.37 1xxe n LYS 112 Ca 0.06 0.13 -0.03 0.00 -0.87 0.00 0.00 58.31 57.60 1xxe n LYS 112 Cb 0.46 -1.70 0.17 0.00 0.02 0.00 0.00 35.03 33.98 1xxe n LYS 112 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xxe n ASN 113 N -2.03 2.64 -4.84 3.14 4.13 0.97 -5.04 115.26 114.22 1xxe n ASN 113 Ca 0.05 -3.85 -0.33 0.00 1.68 0.00 0.00 54.58 52.13 1xxe n ASN 113 Cb 0.41 -0.53 -0.06 0.00 -1.54 0.00 0.00 39.78 38.06 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xxe s ILE 114 N -3.55 4.69 0.14 2.41 1.01 -0.95 0.43 121.20 125.38 1xxe s ILE 114 Ca 0.43 0.96 0.05 0.00 0.00 0.00 0.00 60.65 62.09 1xxe s ILE 114 Cb 0.39 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1xxe s ILE 114 CO -0.03 -0.06 -0.11 -0.22 0.00 0.00 0.00 174.94 174.52 1xxe s LEU 115 N -2.68 2.49 -0.07 2.97 2.96 0.21 -4.49 118.68 120.07 1xxe s LEU 115 Ca 0.50 -0.94 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1xxe s LEU 115 Cb -0.12 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 1xxe s LEU 115 CO 0.19 -0.28 0.09 0.20 -1.32 0.00 0.00 176.35 175.23 1xxe s ASN 116 N -2.91 5.88 0.00 3.68 0.01 -1.26 -1.74 114.94 118.59 1xxe s ASN 116 Ca 0.13 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1xxe s ASN 116 Cb 0.00 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.88 1xxe s ASN 116 CO 0.01 0.35 0.00 0.00 -1.51 0.00 0.00 177.10 175.95 1xxe n GLN 117 N 1.72 2.04 -3.35 -0.60 6.02 0.11 -4.89 117.38 118.42 1xxe n GLN 117 Ca -0.17 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.54 1xxe n GLN 117 Cb 0.54 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.73 1xxe n GLN 117 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1xxe n ASN 118 N -1.48 4.02 -3.61 1.08 0.23 -1.26 -4.41 115.26 109.83 1xxe n ASN 118 Ca 0.00 -3.47 -0.12 0.00 -0.53 0.00 0.00 54.58 50.46 1xxe n ASN 118 Cb 0.00 -0.70 -0.06 0.00 -2.08 0.00 0.00 39.78 36.94 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1xxe s ARG 119 N -2.61 0.66 -0.06 -3.83 3.52 -1.26 -4.91 118.95 110.45 1xxe s ARG 119 Ca 0.40 0.51 -0.26 0.00 -0.13 0.00 0.00 55.73 56.25 1xxe s ARG 119 Cb 0.16 0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 33.83 1xxe s ARG 119 CO -0.02 -0.14 0.82 -2.00 -0.81 0.00 0.00 175.30 173.16 1xxe s GLU 120 N -0.28 4.45 0.32 5.12 2.12 -1.26 0.33 118.70 129.50 1xxe s GLU 120 Ca -0.01 1.10 -0.28 0.00 0.36 0.00 0.00 54.97 56.14 1xxe s GLU 120 Cb -0.03 -3.48 -0.10 0.00 0.26 0.00 0.00 34.13 30.79 1xxe s GLU 120 CO -0.01 -0.05 1.18 0.42 -0.54 0.00 0.00 175.26 176.27 1xxe s ILE 121 N 1.13 3.16 -1.07 -3.70 1.01 -1.26 -4.81 121.20 115.65 1xxe s ILE 121 Ca 0.43 1.14 -0.20 0.00 0.00 0.00 0.00 60.65 62.02 1xxe s ILE 121 Cb -0.19 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.67 1xxe s ILE 121 CO 0.20 0.25 1.41 -0.62 0.00 0.00 0.00 174.94 176.18 1xxe s ASP 122 N -0.78 6.68 0.53 3.58 2.15 -1.26 -4.99 116.67 122.58 1xxe s ASP 122 Ca 0.48 -2.02 -0.22 0.00 0.43 0.00 0.00 52.55 51.21 1xxe s ASP 122 Cb -0.34 -2.50 -0.05 0.00 -0.30 0.00 0.00 42.92 39.72 1xxe s ASP 122 CO 0.45 -1.21 1.34 -0.31 -0.17 0.00 0.00 175.17 175.26 1xxe s TYR 123 N 3.72 2.37 -0.26 -5.34 2.02 -1.26 -4.74 117.35 113.87 1xxe s TYR 123 Ca 0.43 1.38 -0.10 0.00 -0.37 0.00 0.00 57.07 58.42 1xxe s TYR 123 Cb -0.01 -3.76 -0.04 0.00 -0.40 0.00 0.00 41.96 37.75 1xxe s TYR 123 CO -0.05 -2.73 0.14 0.12 -1.57 0.00 0.00 175.55 171.47 1xxe s PHE 124 N -1.32 3.21 -0.02 2.71 2.19 -0.40 -5.01 117.98 119.33 1xxe s PHE 124 Ca 0.70 0.01 0.06 0.00 0.33 0.00 0.00 56.93 58.02 1xxe s PHE 124 Cb -0.39 -2.30 -0.01 0.00 -1.31 0.00 0.00 43.02 39.01 1xxe s PHE 124 CO 0.47 -0.14 -0.20 0.08 1.83 0.00 0.00 175.22 177.27 1xxe s VAL 125 N 1.47 1.57 0.20 3.12 1.01 -1.26 0.54 120.40 127.04 1xxe s VAL 125 Ca 0.07 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1xxe s VAL 125 Cb -0.15 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 1xxe s VAL 125 CO 0.07 0.44 0.87 -0.69 0.00 0.00 0.00 175.10 175.79 1xxe s VAL 126 N -0.33 4.22 0.00 2.92 1.01 -0.70 -4.94 120.40 122.58 1xxe s VAL 126 Ca 0.04 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.94 1xxe s VAL 126 Cb -0.09 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1xxe s VAL 126 CO 0.00 0.50 0.00 -0.62 0.00 0.00 0.00 175.10 174.98 1xxe n GLU 127 N 1.61 5.90 -3.72 2.72 -0.58 -1.26 -4.30 120.64 121.00 1xxe n GLU 127 Ca -0.03 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.54 1xxe n GLU 127 Cb 0.48 -0.47 -0.16 0.00 -0.57 0.00 0.00 31.44 30.71 1xxe n GLU 127 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1xxe s GLU 128 N -0.94 -0.02 0.74 3.49 -1.05 -1.26 -4.82 118.70 114.85 1xxe s GLU 128 Ca 0.00 0.33 -0.16 0.00 -0.15 0.00 0.00 54.97 54.99 1xxe s GLU 128 Cb 0.00 -0.32 -0.03 0.00 -0.44 0.00 0.00 34.13 33.34 1xxe s GLU 128 CO 0.00 -0.24 0.50 -2.30 0.95 0.00 0.00 175.26 174.17 1xxe n PRO 129 N 4.69 0.24 -3.83 -4.83 -0.02 -1.26 -4.78 135.00 125.20 1xxe n PRO 129 Ca -0.17 0.12 -0.12 0.00 -2.02 0.00 0.00 63.50 61.31 1xxe n PRO 129 Cb 0.50 -1.82 -0.11 0.00 -0.02 0.00 0.00 33.50 32.06 1xxe n PRO 129 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1xxe s ILE 130 N -1.96 0.05 -0.08 4.25 2.07 -0.85 -4.94 121.20 119.74 1xxe s ILE 130 Ca 0.64 -0.40 -0.01 0.00 -1.41 0.00 0.00 60.65 59.47 1xxe s ILE 130 Cb -0.34 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 41.89 1xxe s ILE 130 CO 0.59 -0.22 -0.01 -0.63 -1.91 0.00 0.00 174.94 172.76 1xxe s ILE 131 N -0.79 0.48 -0.18 2.00 1.01 -1.26 -0.55 121.20 121.92 1xxe s ILE 131 Ca -0.09 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1xxe s ILE 131 Cb -0.05 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1xxe s ILE 131 CO 0.01 0.26 -0.20 0.68 0.00 0.00 0.00 174.94 175.69 1xxe s VAL 132 N 1.93 2.12 0.01 2.92 -7.23 -0.63 -4.98 120.40 114.54 1xxe s VAL 132 Ca 0.05 -0.92 0.07 0.00 -1.81 0.00 0.00 61.98 59.37 1xxe s VAL 132 Cb -0.12 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 1xxe s VAL 132 CO -0.06 0.54 -0.22 -0.70 -0.31 0.00 0.00 175.10 174.34 1xxe s GLU 133 N 1.25 1.68 0.00 4.82 2.12 -1.26 -1.50 118.70 125.81 1xxe s GLU 133 Ca 0.04 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.49 1xxe s GLU 133 Cb -0.13 -1.71 0.00 0.00 0.26 0.00 0.00 34.13 32.55 1xxe s GLU 133 CO -0.12 0.46 0.00 -3.47 -0.54 0.00 0.00 175.26 171.59 1xxe n ASP 134 N 2.22 0.00 -1.83 -1.70 2.03 -0.81 -4.97 116.55 111.50 1xxe n ASP 134 Ca -0.16 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.98 1xxe n ASP 134 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 1xxe n ASP 134 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xxe n GLU 135 N -0.10 -1.57 -0.98 -0.67 -0.58 -1.26 0.26 120.64 115.74 1xxe n GLU 135 Ca 0.00 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.69 1xxe n GLU 135 Cb 0.00 -5.38 0.00 0.00 -0.57 0.00 0.00 31.44 25.49 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xxe n GLY 136 N -0.53 0.52 3.90 0.62 0.00 -1.26 -5.01 105.19 103.43 1xxe n GLY 136 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1xxe n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe s ARG 137 N -0.26 2.66 -0.01 1.61 0.52 0.14 -4.95 118.95 118.66 1xxe s ARG 137 Ca 0.00 -1.40 -0.29 0.00 -0.52 0.00 0.00 55.73 53.52 1xxe s ARG 137 Cb 0.00 -2.49 0.07 0.00 0.52 0.00 0.00 34.95 33.06 1xxe s ARG 137 CO 0.00 -0.13 0.69 -1.17 0.02 0.00 0.00 175.30 174.71 1xxe s LEU 138 N -4.14 -0.61 -0.09 2.53 0.20 -0.98 -1.92 118.68 113.67 1xxe s LEU 138 Ca 0.47 0.52 -0.12 0.00 0.69 0.00 0.00 54.13 55.70 1xxe s LEU 138 Cb -0.05 2.49 0.03 0.00 -0.43 0.00 0.00 46.19 48.23 1xxe s LEU 138 CO 0.29 -0.67 0.31 -0.63 -0.29 0.00 0.00 176.35 175.35 1xxe s ILE 139 N -1.79 0.02 -0.02 6.68 1.01 -0.56 -0.69 121.20 125.85 1xxe s ILE 139 Ca -0.07 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1xxe s ILE 139 Cb -0.00 -0.48 -0.00 0.00 0.01 0.00 0.00 42.46 41.98 1xxe s ILE 139 CO 0.04 -0.07 -0.12 -0.75 0.00 0.00 0.00 174.94 174.04 1xxe s LYS 140 N -0.22 1.17 0.15 2.79 2.20 -0.00 -1.60 119.74 124.23 1xxe s LYS 140 Ca -0.03 -0.44 0.10 0.00 -0.36 0.00 0.00 55.97 55.24 1xxe s LYS 140 Cb -0.03 -1.08 -0.04 0.00 -1.51 0.00 0.00 37.83 35.17 1xxe s LYS 140 CO 0.01 0.21 -0.18 0.00 -0.36 0.00 0.00 175.35 175.03 1xxe s ALA 141 N -0.05 2.68 -0.14 3.13 0.00 0.29 -0.53 121.76 127.13 1xxe s ALA 141 Ca 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 1xxe s ALA 141 Cb -0.08 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.51 1xxe s ALA 141 CO 0.00 0.53 0.36 -2.00 0.00 0.00 0.00 175.76 174.66 1xxe s GLU 142 N -2.37 0.40 0.46 0.00 2.12 0.32 -2.01 118.70 117.62 1xxe s GLU 142 Ca 0.19 0.56 -0.23 0.00 0.36 0.00 0.00 54.97 55.85 1xxe s GLU 142 Cb -0.10 0.13 -0.09 0.00 0.26 0.00 0.00 34.13 34.33 1xxe s GLU 142 CO 0.11 -0.08 1.01 -0.35 -0.54 0.00 0.00 175.26 175.41 1xxe n PRO 143 N 3.26 1.30 -3.55 4.30 -0.04 -1.26 0.13 135.00 139.14 1xxe n PRO 143 Ca -0.16 0.47 -0.14 0.00 -0.04 0.00 0.00 63.50 63.63 1xxe n PRO 143 Cb 0.57 -2.09 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 1xxe n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xxe s SER 144 N -0.83 -0.52 0.00 3.54 0.15 -1.26 -4.42 113.70 110.36 1xxe s SER 144 Ca 0.66 0.57 0.30 0.00 0.70 0.00 0.00 55.95 58.18 1xxe s SER 144 Cb -0.52 0.44 1.51 0.00 -1.71 0.00 0.00 66.02 65.73 1xxe s SER 144 CO 0.55 -0.47 2.00 0.47 1.20 0.00 0.00 173.24 176.99 1xxe n ASP 145 N 0.85 0.65 -4.05 5.45 8.00 -1.26 -3.56 116.55 122.64 1xxe n ASP 145 Ca -0.15 -1.18 -0.18 0.00 0.71 0.00 0.00 54.79 54.00 1xxe n ASP 145 Cb 0.57 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.53 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xxe s THR 146 N -2.03 0.73 -0.22 -3.53 -4.23 -1.26 -4.92 115.64 100.17 1xxe s THR 146 Ca 0.43 -0.60 -0.29 0.00 -1.18 0.00 0.00 61.69 60.04 1xxe s THR 146 Cb 0.21 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1xxe s THR 146 CO 0.36 0.06 1.11 -0.22 -0.54 0.00 0.00 174.62 175.39 1xxe s LEU 147 N -0.61 4.11 -0.00 4.79 2.96 -1.26 -3.18 118.68 125.49 1xxe s LEU 147 Ca 0.01 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.37 1xxe s LEU 147 Cb -0.05 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1xxe s LEU 147 CO 0.00 -0.72 -0.01 -0.70 -1.32 0.00 0.00 176.35 173.60 1xxe s GLU 148 N 3.34 0.06 -0.05 1.98 2.12 -0.67 -3.01 118.70 122.47 1xxe s GLU 148 Ca 0.48 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.78 1xxe s GLU 148 Cb -0.17 -0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.18 1xxe s GLU 148 CO 0.10 0.01 0.02 0.08 -0.54 0.00 0.00 175.26 174.93 1xxe s VAL 149 N 0.03 0.13 -0.05 3.70 1.01 -0.92 -0.88 120.40 123.42 1xxe s VAL 149 Ca -0.00 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1xxe s VAL 149 Cb -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1xxe s VAL 149 CO -0.00 0.20 -0.08 -0.89 0.00 0.00 0.00 175.10 174.32 1xxe s THR 150 N 1.79 3.55 -0.08 3.92 2.01 -0.06 -1.47 115.64 125.30 1xxe s THR 150 Ca 0.01 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1xxe s THR 150 Cb -0.12 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 69.93 1xxe s THR 150 CO -0.03 0.54 -0.17 -0.47 -0.69 0.00 0.00 174.62 173.80 1xxe s TYR 151 N -0.84 1.85 -0.34 4.92 5.04 -0.96 0.32 117.35 127.34 1xxe s TYR 151 Ca 0.13 -0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 54.02 1xxe s TYR 151 Cb -0.11 -1.30 0.06 0.00 0.35 0.00 0.00 41.96 40.97 1xxe s TYR 151 CO 0.03 -0.32 0.08 -2.00 -1.34 0.00 0.00 175.55 171.99 1xxe s GLU 152 N 0.52 2.36 -0.15 4.97 2.12 0.11 -1.82 118.70 126.81 1xxe s GLU 152 Ca -0.16 -1.39 -0.05 0.00 0.36 0.00 0.00 54.97 53.74 1xxe s GLU 152 Cb -0.16 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1xxe s GLU 152 CO 0.05 -0.75 -0.00 0.20 -0.54 0.00 0.00 175.26 174.23 1xxe s GLY 153 N 1.43 1.79 -0.59 -1.50 0.00 -0.91 -0.57 107.32 106.97 1xxe s GLY 153 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.94 1xxe s GLY 153 CO -0.01 -0.10 0.36 -1.83 0.00 0.00 0.00 173.10 171.52 1xxe s GLU 154 N 0.18 2.25 0.29 2.90 1.03 -1.26 -1.54 118.70 122.56 1xxe s GLU 154 Ca 0.00 -2.74 -0.16 0.00 0.03 0.00 0.00 54.97 52.10 1xxe s GLU 154 Cb -0.13 -3.46 -0.09 0.00 -0.80 0.00 0.00 34.13 29.65 1xxe s GLU 154 CO 0.02 -1.16 0.73 -0.06 -1.33 0.00 0.00 175.26 173.46 1xxe s PHE 155 N -0.46 3.44 -0.97 4.83 0.08 0.48 -4.95 117.98 120.43 1xxe s PHE 155 Ca 0.19 1.24 0.26 0.00 0.12 0.00 0.00 56.93 58.74 1xxe s PHE 155 Cb -0.21 -2.54 0.68 0.00 -0.57 0.00 0.00 43.02 40.38 1xxe s PHE 155 CO -0.04 0.16 1.54 1.63 -0.10 0.00 0.00 175.22 178.41 1xxe n LYS 156 N -0.10 0.03 0.00 0.44 4.01 -1.26 -3.41 118.16 117.87 1xxe n LYS 156 Ca 0.02 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1xxe n LYS 156 Cb 0.53 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.53 1xxe n LYS 156 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1xxe n ASN 157 N -1.56 -0.97 0.28 4.39 6.94 -1.26 -4.77 115.26 118.31 1xxe n ASN 157 Ca 0.06 -0.22 0.15 0.00 -0.02 0.00 0.00 54.58 54.55 1xxe n ASN 157 Cb 0.35 0.00 0.81 0.00 -2.36 0.00 0.00 39.78 38.57 1xxe n ASN 157 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 1xxe h PHE 158 N -1.39 0.00 -0.12 -2.53 -5.15 -1.59 -2.88 116.94 103.27 1xxe h PHE 158 Ca 0.00 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.80 1xxe h PHE 158 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.14 1xxe h PHE 158 CO 0.00 0.08 -0.06 -0.07 -2.00 0.00 0.00 178.31 176.25 1xxe h LEU 159 N 0.00 -0.20 0.00 2.10 3.38 -1.87 -3.47 115.31 115.24 1xxe h LEU 159 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xxe h LEU 159 Cb 0.31 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1xxe h LEU 159 CO 0.01 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.07 1xxe n GLY 160 N -1.20 1.41 3.36 0.83 0.00 -1.09 -4.84 105.19 103.66 1xxe n GLY 160 Ca -0.04 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1xxe n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe s ARG 161 N 0.00 2.22 -0.19 1.61 3.00 -1.26 -0.39 118.95 123.94 1xxe s ARG 161 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 55.73 54.75 1xxe s ARG 161 Cb 0.00 -2.14 0.06 0.00 0.00 0.00 0.00 34.95 32.87 1xxe s ARG 161 CO 0.00 0.58 0.47 -1.14 0.00 0.00 0.00 175.30 175.20 1xxe s GLN 162 N -0.68 0.47 0.11 3.54 0.74 -0.59 -5.01 119.66 118.25 1xxe s GLN 162 Ca 0.11 0.84 0.09 0.00 0.05 0.00 0.00 55.36 56.45 1xxe s GLN 162 Cb -0.10 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 1xxe s GLN 162 CO -0.00 -0.14 -0.20 -1.59 -0.55 0.00 0.00 175.29 172.80 1xxe s LYS 163 N 1.25 1.72 -0.07 1.67 -2.85 -1.26 -2.15 119.74 118.04 1xxe s LYS 163 Ca -0.08 -1.20 -0.01 0.00 -1.00 0.00 0.00 55.97 53.68 1xxe s LYS 163 Cb -0.07 -2.07 0.03 0.00 -2.06 0.00 0.00 37.83 33.66 1xxe s LYS 163 CO -0.12 0.48 -0.01 0.12 0.10 0.00 0.00 175.35 175.92 1xxe s PHE 164 N -1.11 0.75 -0.25 1.78 5.36 -0.75 -4.99 117.98 118.77 1xxe s PHE 164 Ca 0.17 -0.23 -0.10 0.00 -0.96 0.00 0.00 56.93 55.81 1xxe s PHE 164 Cb -0.10 -0.83 -0.05 0.00 -0.34 0.00 0.00 43.02 41.70 1xxe s PHE 164 CO 0.09 -0.33 0.15 -0.08 -1.46 0.00 0.00 175.22 173.59 1xxe s THR 165 N 1.83 5.19 -0.16 0.12 -1.32 -1.26 -2.27 115.64 117.77 1xxe s THR 165 Ca 0.03 0.12 -0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1xxe s THR 165 Cb -0.12 -3.44 -0.04 0.00 -1.51 0.00 0.00 72.50 67.39 1xxe s THR 165 CO -0.05 0.32 0.12 0.12 -2.21 0.00 0.00 174.62 172.92 1xxe s PHE 166 N 1.31 3.45 0.07 9.09 5.36 -0.54 -4.99 117.98 131.72 1xxe s PHE 166 Ca 0.07 0.37 0.05 0.00 -0.96 0.00 0.00 56.93 56.45 1xxe s PHE 166 Cb -0.14 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 1xxe s PHE 166 CO 0.06 0.46 -0.14 0.08 -1.46 0.00 0.00 175.22 174.22 1xxe s VAL 167 N -0.25 1.09 -0.06 3.12 1.01 -1.26 -2.17 120.40 121.88 1xxe s VAL 167 Ca 0.10 -1.29 -0.35 0.00 0.00 0.00 0.00 61.98 60.44 1xxe s VAL 167 Cb -0.12 -1.05 -0.13 0.00 0.00 0.00 0.00 36.38 35.08 1xxe s VAL 167 CO 0.01 -0.23 1.77 -0.62 0.00 0.00 0.00 175.10 176.03 1xxe n GLU 168 N 1.29 1.96 0.00 2.72 1.02 -1.17 -1.42 120.64 125.05 1xxe n GLU 168 Ca -0.21 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1xxe n GLU 168 Cb 0.54 -2.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 1xxe n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 169 N 4.07 1.83 1.06 0.62 0.00 -1.26 -4.93 105.19 106.58 1xxe n GLY 169 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 1xxe n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xxe n ASN 170 N 0.00 2.68 0.00 1.61 5.03 -0.51 -4.74 115.26 119.34 1xxe n ASN 170 Ca 0.00 -3.85 0.00 0.00 0.87 0.00 0.00 54.58 51.60 1xxe n ASN 170 Cb 0.00 -0.53 0.31 0.00 -1.02 0.00 0.00 39.78 38.54 1xxe n ASN 170 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1xxe h GLU 171 N 1.27 0.51 0.00 3.52 5.08 -1.92 -2.19 114.58 120.85 1xxe h GLU 171 Ca 0.14 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1xxe h GLU 171 Cb 1.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1xxe h GLU 171 CO 0.28 0.53 0.08 0.93 -1.00 0.00 0.00 179.01 179.84 1xxe h GLU 172 N 0.49 0.00 -0.01 2.33 4.39 -1.97 0.65 114.58 120.47 1xxe h GLU 172 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1xxe h GLU 172 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1xxe h GLU 172 CO 0.01 0.00 -0.22 0.39 -1.16 0.00 0.00 179.01 178.03 1xxe n GLU 173 N -2.29 1.04 -0.00 2.33 -0.58 -0.82 -4.08 120.64 116.23 1xxe n GLU 173 Ca -0.01 -0.64 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 1xxe n GLU 173 Cb 0.11 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1xxe n GLU 173 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1xxe n ILE 174 N -0.42 0.76 -0.07 -3.67 -5.35 0.21 -4.71 119.36 106.11 1xxe n ILE 174 Ca 0.13 -0.77 -0.05 0.00 -0.27 0.00 0.00 62.75 61.79 1xxe n ILE 174 Cb 0.36 0.61 -0.14 0.00 -1.74 0.00 0.00 39.64 38.74 1xxe n ILE 174 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1xxe n VAL 175 N -0.39 0.94 1.36 7.28 0.24 -1.15 -4.33 118.33 122.28 1xxe n VAL 175 Ca 0.00 -0.67 0.11 0.00 -2.04 0.00 0.00 64.34 61.74 1xxe n VAL 175 Cb 0.32 -0.42 0.42 0.00 -1.47 0.00 0.00 33.84 32.69 1xxe n VAL 175 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xxe n LEU 176 N -2.54 1.43 -4.67 1.34 4.77 -1.26 -1.97 117.00 114.10 1xxe n LEU 176 Ca -0.23 -0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 54.74 1xxe n LEU 176 Cb 0.94 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.93 1xxe n LEU 176 CO 0.37 0.29 0.80 0.00 -1.33 0.00 0.00 177.39 177.52 1xxe s ALA 177 N -1.84 3.53 0.24 -1.18 0.00 -1.26 -4.86 121.76 116.40 1xxe s ALA 177 Ca 0.33 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 1xxe s ALA 177 Cb 0.17 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1xxe s ALA 177 CO 0.27 -0.78 0.45 -0.98 0.00 0.00 0.00 175.76 174.71 1xxe s ARG 178 N 2.48 3.54 0.79 0.00 1.70 -1.26 -4.33 118.95 121.87 1xxe s ARG 178 Ca 0.45 -0.27 -0.14 0.00 -0.47 0.00 0.00 55.73 55.29 1xxe s ARG 178 Cb -0.17 -2.77 0.03 0.00 -0.57 0.00 0.00 34.95 31.47 1xxe s ARG 178 CO 0.12 0.33 0.91 -2.37 -1.08 0.00 0.00 175.30 173.21 1xxe n THR 179 N -0.89 1.92 -4.19 4.99 5.66 -0.78 -4.81 114.28 116.18 1xxe n THR 179 Ca -0.04 -0.28 -0.11 0.00 -3.05 0.00 0.00 64.05 60.56 1xxe n THR 179 Cb 0.54 -1.01 -0.10 0.00 -1.55 0.00 0.00 70.33 68.21 1xxe n THR 179 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1xxe s PHE 180 N -2.04 1.07 0.13 1.09 -0.71 -1.26 -2.38 117.98 113.88 1xxe s PHE 180 Ca 0.70 -1.31 -0.25 0.00 -1.04 0.00 0.00 56.93 55.03 1xxe s PHE 180 Cb -0.31 -0.55 0.07 0.00 -1.21 0.00 0.00 43.02 41.03 1xxe s PHE 180 CO 0.54 -0.58 0.73 0.00 -1.34 0.00 0.00 175.22 174.58 1xxe s PHE 182 N -3.55 3.37 0.37 0.00 0.08 -1.26 0.41 117.98 117.39 1xxe s PHE 182 Ca 0.05 0.22 0.39 0.00 0.12 0.00 0.00 56.93 57.70 1xxe s PHE 182 Cb -0.02 -1.73 1.92 0.00 -0.57 0.00 0.00 43.02 42.62 1xxe s PHE 182 CO -0.08 0.57 2.17 0.38 -0.10 0.00 0.00 175.22 178.16 1xxe h ASP 183 N 3.65 0.00 1.27 1.36 2.03 -1.83 -1.23 116.42 121.67 1xxe h ASP 183 Ca -0.48 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 55.69 1xxe h ASP 183 Cb 1.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.65 1xxe h ASP 183 CO 0.67 0.00 -0.75 4.11 -1.03 0.00 0.00 179.24 182.25 1xxe h TRP 184 N 0.00 0.00 0.00 4.15 0.09 -1.94 -3.29 115.95 114.96 1xxe h TRP 184 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1xxe h TRP 184 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.45 1xxe h TRP 184 CO 0.00 0.60 -1.45 -0.85 0.09 0.00 0.00 178.44 176.83 1xxe n GLU 185 N -3.19 0.47 0.04 0.12 0.28 -0.87 -4.36 120.64 113.12 1xxe n GLU 185 Ca -0.00 -0.07 -0.11 0.00 -0.16 0.00 0.00 57.16 56.82 1xxe n GLU 185 Cb 0.79 -1.59 -0.05 0.00 1.43 0.00 0.00 31.44 32.03 1xxe n GLU 185 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1xxe h ILE 186 N 0.00 0.72 -0.31 3.84 2.04 -1.31 -1.69 117.51 120.80 1xxe h ILE 186 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1xxe h ILE 186 Cb 0.86 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 1xxe h ILE 186 CO 0.00 0.00 -0.21 -0.33 0.00 0.00 0.00 178.15 177.61 1xxe h GLU 187 N -0.16 -0.17 -0.68 2.37 5.08 -1.76 0.37 114.58 119.64 1xxe h GLU 187 Ca 0.05 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.54 1xxe h GLU 187 Cb 0.23 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1xxe h GLU 187 CO -0.13 -0.11 0.27 0.45 -1.00 0.00 0.00 179.01 178.48 1xxe h HIS 188 N -0.17 0.46 -0.27 4.33 3.86 -1.70 0.90 115.15 122.55 1xxe h HIS 188 Ca 0.16 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1xxe h HIS 188 Cb 0.42 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 1xxe h HIS 188 CO -0.40 0.10 -0.06 0.82 0.86 0.00 0.00 177.93 179.24 1xxe h ILE 189 N 0.44 1.20 0.00 2.45 2.04 -0.07 -1.33 117.51 122.25 1xxe h ILE 189 Ca 0.35 -0.83 -0.11 0.00 1.00 0.00 0.00 64.86 65.27 1xxe h ILE 189 Cb 0.47 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1xxe h ILE 189 CO -0.34 0.27 -0.54 0.11 0.00 0.00 0.00 178.15 177.65 1xxe h LYS 190 N 0.41 0.00 0.00 2.37 1.57 0.31 -1.71 116.57 119.52 1xxe h LYS 190 Ca 0.08 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1xxe h LYS 190 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1xxe h LYS 190 CO 0.02 0.54 -0.73 0.87 -0.57 0.00 0.00 179.45 179.58 1xxe h LYS 191 N 0.00 0.00 -0.06 3.15 1.57 0.13 -3.15 116.57 118.21 1xxe h LYS 191 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xxe h LYS 191 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1xxe h LYS 191 CO 0.07 0.64 0.00 1.33 -0.57 0.00 0.00 179.45 180.92 1xxe n VAL 192 N -3.24 0.08 -0.83 0.50 0.24 -0.57 -4.84 118.33 109.68 1xxe n VAL 192 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1xxe n VAL 192 Cb 0.81 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1xxe n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xxe n GLY 193 N 0.72 0.50 3.44 7.63 0.00 -1.19 -5.06 105.19 111.23 1xxe n GLY 193 Ca 0.07 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1xxe n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxe s LEU 194 N 0.00 2.53 -0.02 0.99 1.43 -0.64 -4.76 118.68 118.21 1xxe s LEU 194 Ca 0.00 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1xxe s LEU 194 Cb 0.00 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.50 1xxe s LEU 194 CO 0.00 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1xxe n GLY 195 N -0.59 0.42 0.28 -3.19 0.00 -1.19 -3.23 105.19 97.69 1xxe n GLY 195 Ca -0.06 -0.85 0.16 0.00 0.00 0.00 0.00 46.02 45.27 1xxe n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe h LYS 196 N 0.21 0.00 -0.01 1.61 1.57 -1.11 -2.33 116.57 116.51 1xxe h LYS 196 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xxe h LYS 196 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xxe h LYS 196 CO 0.01 0.07 -0.55 0.41 -0.57 0.00 0.00 179.45 178.82 1xxe n GLY 197 N -0.44 -0.17 3.69 3.86 0.00 0.96 -4.62 105.19 108.47 1xxe n GLY 197 Ca -0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1xxe n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xxe s GLY 198 N -2.46 1.40 0.27 -0.02 0.00 0.69 -4.64 107.32 102.57 1xxe s GLY 198 Ca 0.15 1.38 0.02 0.00 0.00 0.00 0.00 44.72 46.27 1xxe s GLY 198 CO 0.59 3.12 0.13 -1.35 0.00 0.00 0.00 173.10 175.59 1xxe s SER 199 N 2.81 1.26 0.18 1.64 1.04 -1.26 -5.00 113.70 114.37 1xxe s SER 199 Ca 0.80 -1.46 0.25 0.00 0.48 0.00 0.00 55.95 56.02 1xxe s SER 199 Cb -0.44 0.28 0.91 0.00 0.10 0.00 0.00 66.02 66.86 1xxe s SER 199 CO 0.36 -0.81 1.76 0.18 0.98 0.00 0.00 173.24 175.71 1xxe n LEU 200 N -0.50 0.60 -0.06 2.42 4.77 -1.26 -0.31 117.00 122.65 1xxe n LEU 200 Ca 0.01 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 1xxe n LEU 200 Cb 0.66 -0.43 0.33 0.00 -2.33 0.00 0.00 43.42 41.64 1xxe n LEU 200 CO 0.36 -0.27 0.56 1.17 -1.33 0.00 0.00 177.39 177.88 1xxe n LYS 201 N -2.10 0.23 -0.14 3.23 4.81 -1.26 -4.14 118.16 118.79 1xxe n LYS 201 Ca 0.05 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1xxe n LYS 201 Cb 0.34 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.90 1xxe n LYS 201 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xxe n ASN 202 N -1.27 0.00 -3.60 3.14 3.02 -1.08 -4.72 115.26 110.75 1xxe n ASN 202 Ca 0.08 -1.27 -0.12 0.00 -0.03 0.00 0.00 54.58 53.24 1xxe n ASN 202 Cb 0.33 -0.05 -0.11 0.00 -0.61 0.00 0.00 39.78 39.34 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xxe s THR 203 N 0.00 -0.51 -0.34 3.41 2.01 0.57 -4.17 115.64 116.61 1xxe s THR 203 Ca 0.00 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 1xxe s THR 203 Cb 0.00 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.94 1xxe s THR 203 CO 0.00 0.04 1.09 -0.22 -0.69 0.00 0.00 174.62 174.84 1xxe s LEU 204 N 2.49 3.88 -0.23 4.42 2.96 -1.00 -4.39 118.68 126.81 1xxe s LEU 204 Ca 0.02 0.96 -0.10 0.00 -0.22 0.00 0.00 54.13 54.80 1xxe s LEU 204 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1xxe s LEU 204 CO -0.11 -0.95 0.15 -0.69 -1.32 0.00 0.00 176.35 173.43 1xxe s VAL 205 N 3.80 5.26 0.02 1.68 1.01 -1.26 -0.46 120.40 130.46 1xxe s VAL 205 Ca 0.46 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1xxe s VAL 205 Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1xxe s VAL 205 CO 0.18 0.36 0.11 -0.76 0.00 0.00 0.00 175.10 174.99 1xxe s LEU 206 N 1.01 4.00 0.05 3.92 1.43 0.17 -2.55 118.68 126.71 1xxe s LEU 206 Ca 0.07 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1xxe s LEU 206 Cb -0.13 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1xxe s LEU 206 CO 0.04 0.24 0.05 -0.83 0.23 0.00 0.00 176.35 176.08 1xxe s GLY 207 N -2.00 1.98 0.56 -3.19 0.00 0.43 -2.34 107.32 102.76 1xxe s GLY 207 Ca 0.26 -1.00 0.46 0.00 0.00 0.00 0.00 44.72 44.44 1xxe s GLY 207 CO 0.18 -0.94 1.62 0.50 0.00 0.00 0.00 173.10 174.46 1xxe h LYS 208 N 3.62 0.00 0.00 2.90 1.57 -1.99 -2.49 116.57 120.18 1xxe h LYS 208 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xxe h LYS 208 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1xxe h LYS 208 CO 0.63 0.00 -0.06 -0.40 -0.57 0.00 0.00 179.45 179.05 1xxe n ASP 209 N -3.95 0.00 -3.83 0.86 5.75 -1.26 -1.65 116.55 112.47 1xxe n ASP 209 Ca 0.38 -1.12 -0.10 0.00 -0.01 0.00 0.00 54.79 53.94 1xxe n ASP 209 Cb 1.78 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 41.77 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1xxe s LYS 210 N 0.00 0.77 -0.20 0.11 2.20 -0.94 -5.03 119.74 116.65 1xxe s LYS 210 Ca 0.00 -0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 54.81 1xxe s LYS 210 Cb 0.00 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1xxe s LYS 210 CO 0.00 -0.24 0.08 0.08 -0.36 0.00 0.00 175.35 174.92 1xxe s VAL 211 N -3.03 4.87 -0.06 4.02 1.01 -1.26 0.16 120.40 126.12 1xxe s VAL 211 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 1xxe s VAL 211 Cb 0.01 -3.22 -0.16 0.00 0.00 0.00 0.00 36.38 33.01 1xxe s VAL 211 CO -0.06 0.43 0.84 1.88 0.00 0.00 0.00 175.10 178.18 1xxe h TYR 212 N 6.96 -0.18 -2.94 5.22 -1.99 -1.84 -3.45 116.97 118.76 1xxe h TYR 212 Ca -0.37 -0.00 -0.58 0.00 2.00 0.00 0.00 58.73 59.77 1xxe h TYR 212 Cb 1.17 0.06 0.10 0.00 2.00 0.00 0.00 36.73 40.05 1xxe h TYR 212 CO 0.59 0.28 0.55 0.09 -0.00 0.00 0.00 178.16 179.67 1xxe n ASN 213 N -4.90 2.71 0.24 3.88 4.13 -1.26 -4.86 115.26 115.20 1xxe n ASN 213 Ca -0.08 1.17 0.16 0.00 1.68 0.00 0.00 54.58 57.51 1xxe n ASN 213 Cb 0.27 -1.45 0.57 0.00 -1.54 0.00 0.00 39.78 37.62 1xxe n ASN 213 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1xxe h PRO 214 N 3.44 0.00 -0.00 3.52 0.13 -1.98 -2.89 132.00 134.22 1xxe h PRO 214 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xxe h PRO 214 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xxe h PRO 214 CO 0.70 0.00 -0.23 -1.91 -0.23 0.00 0.00 178.00 176.33 1xxe n GLU 215 N -2.94 0.15 0.00 0.86 2.13 -1.26 -5.04 120.64 114.54 1xxe n GLU 215 Ca 0.02 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1xxe n GLU 215 Cb 0.34 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1xxe n GLU 215 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxe n GLY 216 N 1.45 -1.13 3.78 8.31 0.00 -1.09 -4.77 105.19 111.75 1xxe n GLY 216 Ca 0.08 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 1xxe n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxe s LEU 217 N 0.00 4.28 -0.03 0.99 1.43 -1.26 -4.96 118.68 119.12 1xxe s LEU 217 Ca 0.00 1.86 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 1xxe s LEU 217 Cb 0.00 -4.08 -0.12 0.00 0.03 0.00 0.00 46.19 42.02 1xxe s LEU 217 CO 0.00 -0.16 0.80 -0.09 0.23 0.00 0.00 176.35 177.13 1xxe h ARG 218 N 2.96 -0.42 -6.73 1.70 9.65 -1.96 -3.45 114.38 116.13 1xxe h ARG 218 Ca -0.47 0.03 -0.68 0.00 -1.10 0.00 0.00 59.98 57.75 1xxe h ARG 218 Cb 1.19 0.09 -0.20 0.00 -1.39 0.00 0.00 29.97 29.67 1xxe h ARG 218 CO 0.64 -0.13 -0.82 0.71 2.80 0.00 0.00 179.97 183.18 1xxe s TYR 219 N -3.56 2.49 0.02 2.20 1.51 -1.26 -4.95 117.35 113.80 1xxe s TYR 219 Ca -0.11 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 1xxe s TYR 219 Cb 0.01 -1.35 0.39 0.00 -0.11 0.00 0.00 41.96 40.90 1xxe s TYR 219 CO 0.36 0.34 1.04 -0.85 -1.11 0.00 0.00 175.55 175.34 1xxe n GLU 220 N 1.00 0.05 -2.38 -0.62 0.28 -1.26 0.82 120.64 118.53 1xxe n GLU 220 Ca -0.16 0.47 -0.07 0.00 -0.16 0.00 0.00 57.16 57.24 1xxe n GLU 220 Cb 0.53 -2.09 0.05 0.00 1.43 0.00 0.00 31.44 31.35 1xxe n GLU 220 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1xxe n ASN 221 N -1.81 2.59 -0.07 -1.84 0.23 -1.26 -4.90 115.26 108.20 1xxe n ASN 221 Ca -0.00 -2.64 -0.08 0.00 -0.53 0.00 0.00 54.58 51.32 1xxe n ASN 221 Cb 0.43 -0.42 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1xxe n ASN 221 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1xxe h GLU 222 N 2.28 0.18 -0.32 -3.83 4.57 0.05 0.23 114.58 117.73 1xxe h GLU 222 Ca 0.02 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1xxe h GLU 222 Cb 1.39 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.93 1xxe h GLU 222 CO 0.35 0.12 -0.38 -1.00 -1.18 0.00 0.00 179.01 176.92 1xxe h PRO 223 N 0.18 0.76 0.00 0.92 0.13 -1.88 -2.19 132.00 129.93 1xxe h PRO 223 Ca 0.12 -0.39 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 1xxe h PRO 223 Cb 0.11 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 1xxe h PRO 223 CO -0.14 1.01 -0.52 -0.39 -0.23 0.00 0.00 178.00 177.73 1xxe h VAL 224 N 0.63 0.92 -0.32 1.56 -1.51 -1.91 -2.65 116.25 112.96 1xxe h VAL 224 Ca 0.06 -2.24 -0.08 0.00 -1.23 0.00 0.00 66.70 63.21 1xxe h VAL 224 Cb 0.93 2.41 -0.01 0.00 -2.13 0.00 0.00 31.29 32.49 1xxe h VAL 224 CO 0.08 0.51 -0.10 0.03 -1.23 0.00 0.00 177.57 176.86 1xxe h ARG 225 N 0.00 0.64 -0.70 5.19 3.08 -0.41 -1.87 114.38 120.31 1xxe h ARG 225 Ca -0.01 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1xxe h ARG 225 Cb 1.37 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 1xxe h ARG 225 CO 0.07 0.83 0.30 1.25 -1.07 0.00 0.00 179.97 181.35 1xxe h HIS 226 N 0.42 1.03 -0.73 3.04 2.76 -1.38 0.20 115.15 120.49 1xxe h HIS 226 Ca 0.08 -0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1xxe h HIS 226 Cb 0.61 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 29.20 1xxe h HIS 226 CO 0.05 0.79 0.43 -0.22 -1.30 0.00 0.00 177.93 177.68 1xxe h LYS 227 N 0.98 0.76 -0.16 5.26 3.11 -1.21 -0.33 116.57 124.99 1xxe h LYS 227 Ca 0.24 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 58.01 1xxe h LYS 227 Cb 0.17 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1xxe h LYS 227 CO -0.02 0.50 0.01 0.28 -2.81 0.00 0.00 179.45 177.41 1xxe h VAL 228 N 0.79 1.24 -0.63 2.00 2.07 -0.70 0.55 116.25 121.57 1xxe h VAL 228 Ca 0.32 -0.79 0.13 0.00 0.82 0.00 0.00 66.70 67.19 1xxe h VAL 228 Cb 0.18 1.46 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 1xxe h VAL 228 CO -0.18 0.23 0.05 0.15 0.02 0.00 0.00 177.57 177.85 1xxe h PHE 229 N 0.03 0.06 -0.17 1.57 3.57 -0.17 0.13 116.94 121.96 1xxe h PHE 229 Ca 0.05 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 1xxe h PHE 229 Cb 0.35 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1xxe h PHE 229 CO 0.03 -0.13 -0.50 -0.44 -2.23 0.00 0.00 178.31 175.04 1xxe h ASP 230 N 0.17 0.52 -0.78 0.41 3.32 -0.88 -2.56 116.42 116.61 1xxe h ASP 230 Ca 0.33 -0.26 0.11 0.00 0.02 0.00 0.00 57.03 57.24 1xxe h ASP 230 Cb 0.54 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1xxe h ASP 230 CO -0.50 0.93 0.51 0.25 -1.72 0.00 0.00 179.24 178.72 1xxe h LEU 231 N 0.37 0.58 -0.07 1.55 5.85 0.16 0.12 115.31 123.88 1xxe h LEU 231 Ca 0.02 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1xxe h LEU 231 Cb 1.01 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1xxe h LEU 231 CO 0.09 0.33 -0.08 0.40 -0.34 0.00 0.00 178.44 178.84 1xxe h ILE 232 N 0.64 1.38 -1.06 4.05 2.04 -1.03 -1.71 117.51 121.83 1xxe h ILE 232 Ca 0.37 -1.27 0.28 0.00 1.00 0.00 0.00 64.86 65.24 1xxe h ILE 232 Cb 0.57 2.07 -0.08 0.00 -0.74 0.00 0.00 36.82 38.64 1xxe h ILE 232 CO -0.14 0.35 0.71 1.23 0.00 0.00 0.00 178.15 180.30 1xxe h GLY 233 N -0.28 0.84 1.94 5.37 0.00 -0.48 0.78 103.07 111.25 1xxe h GLY 233 Ca 0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 1xxe h GLY 233 CO 0.02 -0.09 -0.75 -0.55 0.00 0.00 0.00 176.54 175.16 1xxe h ASP 234 N 0.27 0.00 1.20 0.19 3.32 -0.56 -3.26 116.42 117.59 1xxe h ASP 234 Ca 0.57 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.48 1xxe h ASP 234 Cb 1.68 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.21 1xxe h ASP 234 CO -0.21 0.71 -0.84 -0.07 -1.72 0.00 0.00 179.24 177.12 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.12 -3.11 115.31 117.25 1xxe h LEU 235 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xxe h LEU 235 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1xxe h LEU 235 CO 0.09 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.25 1xxe n TYR 236 N -3.17 0.00 -0.22 1.13 9.36 0.13 -2.55 117.16 121.85 1xxe n TYR 236 Ca -0.02 0.00 0.30 0.00 3.32 0.00 0.00 57.90 61.51 1xxe n TYR 236 Cb 0.81 -0.38 0.73 0.00 -0.63 0.00 0.00 39.34 39.86 1xxe n TYR 236 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1xxe h LEU 237 N 0.00 0.00 -2.49 2.98 3.38 -1.66 1.36 115.31 118.88 1xxe h LEU 237 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 237 Cb 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xxe h LEU 237 CO 0.00 0.00 0.16 -0.07 0.09 0.00 0.00 178.44 178.62 1xxe h LEU 238 N 0.00 0.00 0.00 1.67 3.38 -1.77 -3.33 115.31 115.26 1xxe h LEU 238 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1xxe h LEU 238 Cb 1.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1xxe h LEU 238 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1xxe n GLY 239 N -1.15 0.48 3.53 0.83 0.00 0.47 -5.02 105.19 104.33 1xxe n GLY 239 Ca -0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 1xxe n GLY 239 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxe s SER 240 N -2.57 -0.65 -0.01 1.61 1.04 -1.25 -4.86 113.70 107.00 1xxe s SER 240 Ca 0.00 0.99 -0.40 0.00 0.48 0.00 0.00 55.95 57.02 1xxe s SER 240 Cb 0.00 0.93 -0.20 0.00 0.10 0.00 0.00 66.02 66.86 1xxe s SER 240 CO 0.00 -0.42 1.13 -2.65 0.98 0.00 0.00 173.24 172.28 1xxe n PRO 241 N 1.80 0.15 -3.59 4.02 -0.02 -1.26 -4.59 135.00 131.51 1xxe n PRO 241 Ca -0.17 0.05 -0.36 0.00 -2.02 0.00 0.00 63.50 61.01 1xxe n PRO 241 Cb 0.56 -1.57 -0.07 0.00 -0.02 0.00 0.00 33.50 32.40 1xxe n PRO 241 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xxe s VAL 242 N 0.21 5.33 -0.17 -1.45 1.01 -1.26 -1.28 120.40 122.80 1xxe s VAL 242 Ca 0.91 0.46 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1xxe s VAL 242 Cb -1.24 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 31.56 1xxe s VAL 242 CO 0.57 0.41 -0.17 -0.54 0.00 0.00 0.00 175.10 175.37 1xxe s LYS 243 N 0.38 3.11 0.00 2.72 -0.14 0.19 -4.56 119.74 121.44 1xxe s LYS 243 Ca 0.15 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 53.97 1xxe s LYS 243 Cb -0.13 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1xxe s LYS 243 CO 0.03 -0.08 0.00 0.41 -0.76 0.00 0.00 175.35 174.94 1xxe n GLY 244 N 4.31 1.46 3.40 -3.33 0.00 -1.19 -1.72 105.19 108.12 1xxe n GLY 244 Ca -0.20 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 1xxe n GLY 244 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxe s LYS 245 N -1.97 3.02 0.06 1.61 2.20 0.12 -1.67 119.74 123.12 1xxe s LYS 245 Ca 0.00 -0.95 0.06 0.00 -0.36 0.00 0.00 55.97 54.72 1xxe s LYS 245 Cb 0.00 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1xxe s LYS 245 CO 0.00 -0.60 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.24 1xxe s PHE 246 N 1.58 2.79 -0.03 4.03 0.40 -0.06 -0.52 117.98 126.17 1xxe s PHE 246 Ca 0.03 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 1xxe s PHE 246 Cb -0.18 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.85 1xxe s PHE 246 CO 0.07 0.40 -0.09 -0.47 0.70 0.00 0.00 175.22 175.82 1xxe s TYR 247 N -1.12 1.01 -0.07 0.36 6.14 0.30 -0.88 117.35 123.09 1xxe s TYR 247 Ca 0.20 -0.27 0.02 0.00 0.64 0.00 0.00 57.07 57.66 1xxe s TYR 247 Cb -0.11 -0.73 0.01 0.00 0.42 0.00 0.00 41.96 41.55 1xxe s TYR 247 CO 0.11 -0.13 -0.11 -1.54 0.64 0.00 0.00 175.55 174.52 1xxe s SER 248 N 0.29 1.76 -0.27 4.32 1.04 0.15 -0.82 113.70 120.18 1xxe s SER 248 Ca -0.05 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.05 1xxe s SER 248 Cb -0.10 -0.80 0.02 0.00 0.10 0.00 0.00 66.02 65.24 1xxe s SER 248 CO 0.01 0.01 0.00 0.12 0.98 0.00 0.00 173.24 174.36 1xxe s PHE 249 N 0.79 3.10 -1.24 5.02 2.19 0.13 0.09 117.98 128.06 1xxe s PHE 249 Ca -0.12 -1.28 -0.15 0.00 0.33 0.00 0.00 56.93 55.71 1xxe s PHE 249 Cb -0.15 -2.15 0.00 0.00 -1.31 0.00 0.00 43.02 39.41 1xxe s PHE 249 CO 0.02 -0.65 0.64 0.54 1.83 0.00 0.00 175.22 177.60 1xxe n ARG 250 N 4.76 -1.88 -3.50 10.12 5.12 0.26 -2.32 116.66 129.23 1xxe n ARG 250 Ca -0.16 0.40 -0.30 0.00 -1.93 0.00 0.00 57.85 55.86 1xxe n ARG 250 Cb 0.48 -4.10 -0.04 0.00 -1.16 0.00 0.00 32.46 27.64 1xxe n ARG 250 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1xxe s GLY 251 N -3.81 2.03 0.00 -0.13 0.00 -1.26 -4.37 107.32 99.78 1xxe s GLY 251 Ca 0.30 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1xxe s GLY 251 CO 0.88 -0.45 0.00 0.61 0.00 0.00 0.00 173.10 174.14 1xxe n GLY 252 N -0.48 4.18 0.07 0.20 0.00 -1.26 -4.99 105.19 102.91 1xxe n GLY 252 Ca -0.02 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.65 1xxe n GLY 252 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xxe h HIS 253 N 0.96 0.04 -0.43 1.61 3.86 -1.96 -1.89 115.15 117.34 1xxe h HIS 253 Ca 0.00 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1xxe h HIS 253 Cb 0.00 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1xxe h HIS 253 CO 0.00 0.97 0.29 1.03 0.86 0.00 0.00 177.93 181.07 1xxe h SER 254 N -0.90 0.45 -0.19 2.45 0.87 -1.89 -0.13 113.55 114.20 1xxe h SER 254 Ca -0.01 -0.01 -0.22 0.00 -1.23 0.00 0.00 61.79 60.33 1xxe h SER 254 Cb 0.99 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1xxe h SER 254 CO 0.01 0.32 -0.72 0.25 -0.53 0.00 0.00 176.83 176.16 1xxe h LEU 255 N 0.52 0.97 0.13 2.23 5.85 -1.97 -2.66 115.31 120.38 1xxe h LEU 255 Ca 0.17 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1xxe h LEU 255 Cb 0.03 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1xxe h LEU 255 CO -0.04 1.41 -0.06 0.78 -0.34 0.00 0.00 178.44 180.19 1xxe h ASN 256 N 0.58 -0.14 -0.78 1.25 2.35 -0.39 -2.01 115.58 116.44 1xxe h ASN 256 Ca -0.04 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.87 1xxe h ASN 256 Cb 1.35 0.04 -0.10 0.00 0.05 0.00 0.00 38.32 39.66 1xxe h ASN 256 CO 0.15 -0.10 0.33 0.58 -1.65 0.00 0.00 177.43 176.74 1xxe h VAL 257 N -0.17 0.66 -0.45 2.81 2.07 -1.06 0.70 116.25 120.80 1xxe h VAL 257 Ca -0.02 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1xxe h VAL 257 Cb 0.13 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 1xxe h VAL 257 CO 0.03 0.09 0.09 0.50 0.02 0.00 0.00 177.57 178.30 1xxe h LYS 258 N 0.47 0.22 -0.55 1.57 3.64 -1.01 0.56 116.57 121.47 1xxe h LYS 258 Ca 0.43 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.89 1xxe h LYS 258 Cb 0.67 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 1xxe h LYS 258 CO -0.41 0.15 0.18 1.25 -2.27 0.00 0.00 179.45 178.35 1xxe h LEU 259 N 0.23 0.16 -0.34 5.20 5.85 -0.36 -1.13 115.31 124.92 1xxe h LEU 259 Ca 0.22 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 1xxe h LEU 259 Cb 0.28 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1xxe h LEU 259 CO -0.29 0.11 0.05 0.58 -0.34 0.00 0.00 178.44 178.55 1xxe h VAL 260 N 0.35 1.24 -0.31 1.05 2.07 -0.35 -2.50 116.25 117.80 1xxe h VAL 260 Ca 0.28 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1xxe h VAL 260 Cb 0.34 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1xxe h VAL 260 CO -0.30 0.28 -0.18 0.50 0.02 0.00 0.00 177.57 177.90 1xxe h LYS 261 N 0.40 -0.13 -0.05 1.57 3.64 0.11 0.65 116.57 122.77 1xxe h LYS 261 Ca 0.10 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1xxe h LYS 261 Cb 0.36 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1xxe h LYS 261 CO 0.01 -0.09 0.02 0.93 -2.27 0.00 0.00 179.45 178.05 1xxe h GLU 262 N -0.14 0.06 -0.71 1.90 4.39 -1.18 0.27 114.58 119.18 1xxe h GLU 262 Ca 0.16 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1xxe h GLU 262 Cb 0.39 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1xxe h GLU 262 CO -0.40 0.12 0.42 -0.07 -1.16 0.00 0.00 179.01 177.93 1xxe h LEU 263 N -0.01 0.85 -0.65 1.33 3.38 -0.95 0.63 115.31 119.90 1xxe h LEU 263 Ca 0.02 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1xxe h LEU 263 Cb 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1xxe h LEU 263 CO -0.00 0.67 -0.18 0.00 0.09 0.00 0.00 178.44 179.01 1xxe h ALA 264 N 1.22 0.84 0.00 1.53 0.00 0.58 -1.83 119.26 121.60 1xxe h ALA 264 Ca 0.25 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1xxe h ALA 264 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xxe h ALA 264 CO -0.05 0.64 -0.85 0.87 0.00 0.00 0.00 179.25 179.87 1xxe h LYS 265 N 0.76 0.12 -0.37 0.00 1.57 -0.01 -3.16 116.57 115.47 1xxe h LYS 265 Ca 0.11 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1xxe h LYS 265 Cb 0.71 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1xxe h LYS 265 CO 0.05 0.90 0.16 0.87 -0.57 0.00 0.00 179.45 180.86 1xxe h LYS 266 N 0.06 0.55 -0.02 3.15 1.57 0.52 -0.74 116.57 121.67 1xxe h LYS 266 Ca -0.03 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1xxe h LYS 266 Cb 1.48 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1xxe h LYS 266 CO 0.12 0.52 0.00 0.94 -0.57 0.00 0.00 179.45 180.46 1xxe n GLN 267 N -4.68 0.75 0.00 3.15 -0.06 -0.71 -3.58 117.38 112.25 1xxe n GLN 267 Ca -0.01 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.00 1xxe n GLN 267 Cb 0.13 -1.01 0.03 0.00 -4.06 0.00 0.00 30.24 25.33 1xxe n GLN 267 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1xxe n LYS 268 N -0.48 0.01 0.08 3.69 0.00 -0.28 -2.41 118.16 118.76 1xxe n LYS 268 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 58.31 58.60 1xxe n LYS 268 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.51 1xxe n LYS 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1xxe h LEU 269 N 0.00 -0.25 -1.01 3.14 3.38 -1.80 -3.52 115.31 115.25 1xxe h LEU 269 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xxe h LEU 269 Cb 0.02 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xxe h LEU 269 CO 0.00 0.22 0.00 0.35 0.09 0.00 0.00 178.44 179.10