#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 2.23 -4.84 3.23 1.02 0.42 -4.68 120.64 118.02 1xxe n GLU 4 Ca 0.00 0.79 -0.25 0.00 -0.02 0.00 0.00 57.16 57.67 1xxe n GLU 4 Cb 0.00 -2.43 -0.15 0.00 -0.02 0.00 0.00 31.44 28.84 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 -1.28 1.48 0.26 3.49 2.47 -1.26 -1.31 119.74 123.59 1xxe s LYS 5 Ca 0.60 -0.72 0.02 0.00 -1.56 0.00 0.00 55.97 54.31 1xxe s LYS 5 Cb -0.57 -1.46 -0.04 0.00 -1.46 0.00 0.00 37.83 34.30 1xxe s LYS 5 CO 0.57 0.39 0.16 -0.08 0.16 0.00 0.00 175.35 176.55 1xxe s THR 6 N -0.51 0.19 0.14 3.43 -1.32 -0.03 -2.26 115.64 115.27 1xxe s THR 6 Ca 0.07 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.29 1xxe s THR 6 Cb -0.07 -2.52 -0.07 0.00 -1.51 0.00 0.00 72.50 68.32 1xxe s THR 6 CO -0.00 0.00 0.82 0.68 -2.21 0.00 0.00 174.62 173.91 1xxe s VAL 7 N -3.82 4.44 0.01 5.08 -7.23 -1.26 0.11 120.40 117.74 1xxe s VAL 7 Ca 0.38 1.78 -0.23 0.00 -1.81 0.00 0.00 61.98 62.10 1xxe s VAL 7 Cb 0.06 -4.18 -0.17 0.00 0.56 0.00 0.00 36.38 32.65 1xxe s VAL 7 CO 0.16 0.45 1.32 0.50 -0.31 0.00 0.00 175.10 177.22 1xxe h LYS 8 N 4.82 0.19 -5.48 4.82 3.64 -0.05 -3.42 116.57 121.09 1xxe h LYS 8 Ca -0.45 -0.10 -0.43 0.00 -1.27 0.00 0.00 60.65 58.40 1xxe h LYS 8 Cb 1.21 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.87 1xxe h LYS 8 CO 0.68 0.62 -0.74 -1.83 -2.27 0.00 0.00 179.45 175.91 1xxe s GLU 9 N -4.32 1.21 0.33 1.90 -1.05 -1.26 -4.98 118.70 110.53 1xxe s GLU 9 Ca -0.15 -1.47 -0.29 0.00 -0.15 0.00 0.00 54.97 52.91 1xxe s GLU 9 Cb 0.04 -1.00 -0.11 0.00 -0.44 0.00 0.00 34.13 32.61 1xxe s GLU 9 CO 0.72 0.17 1.54 0.21 0.95 0.00 0.00 175.26 178.85 1xxe s LYS 10 N -3.37 4.12 0.19 -4.83 2.20 -1.26 -4.87 119.74 111.93 1xxe s LYS 10 Ca 0.18 2.57 0.11 0.00 -0.36 0.00 0.00 55.97 58.46 1xxe s LYS 10 Cb -0.02 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1xxe s LYS 10 CO 0.05 -0.58 -0.19 -0.51 -0.36 0.00 0.00 175.35 173.76 1xxe s LEU 11 N -1.19 2.63 -0.05 5.43 1.02 -0.66 -4.95 118.68 120.91 1xxe s LEU 11 Ca 0.59 -0.78 -0.09 0.00 0.02 0.00 0.00 54.13 53.86 1xxe s LEU 11 Cb -0.47 -1.33 0.02 0.00 0.02 0.00 0.00 46.19 44.42 1xxe s LEU 11 CO 0.54 0.11 0.22 -0.94 0.02 0.00 0.00 176.35 176.31 1xxe s SER 12 N -2.78 -0.15 0.13 2.29 1.04 -1.26 -0.38 113.70 112.59 1xxe s SER 12 Ca 0.23 0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.88 1xxe s SER 12 Cb -0.08 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1xxe s SER 12 CO 0.12 -0.25 -0.08 -0.36 0.98 0.00 0.00 173.24 173.65 1xxe s PHE 13 N -0.64 1.12 -0.10 5.02 0.08 -0.21 -4.97 117.98 118.28 1xxe s PHE 13 Ca -0.07 -0.84 -0.07 0.00 0.12 0.00 0.00 56.93 56.06 1xxe s PHE 13 Cb -0.04 -0.60 0.03 0.00 -0.57 0.00 0.00 43.02 41.84 1xxe s PHE 13 CO 0.02 -0.03 0.24 -1.83 -0.10 0.00 0.00 175.22 173.52 1xxe s GLU 14 N -3.80 0.25 0.00 0.44 -1.05 -1.26 -1.55 118.70 111.74 1xxe s GLU 14 Ca 0.16 0.42 0.00 0.00 -0.15 0.00 0.00 54.97 55.39 1xxe s GLU 14 Cb 0.04 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 1xxe s GLU 14 CO -0.01 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.52 1xxe n GLY 15 N 3.47 1.52 3.81 -3.83 0.00 -0.73 -4.94 105.19 104.50 1xxe n GLY 15 Ca -0.18 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 4.57 0.44 1.61 0.11 -1.26 -1.91 120.40 121.96 1xxe s VAL 16 Ca 0.00 1.33 -0.24 0.00 -2.93 0.00 0.00 61.98 60.14 1xxe s VAL 16 Cb 0.00 -3.91 -0.08 0.00 -1.53 0.00 0.00 36.38 30.86 1xxe s VAL 16 CO 0.00 0.32 1.20 -0.83 -3.33 0.00 0.00 175.10 172.46 1xxe s GLY 17 N -1.49 2.84 0.16 6.54 0.00 -0.85 -2.32 107.32 112.20 1xxe s GLY 17 Ca 0.39 1.02 -0.12 0.00 0.00 0.00 0.00 44.72 46.01 1xxe s GLY 17 CO 0.22 1.52 1.65 1.19 0.00 0.00 0.00 173.10 177.67 1xxe h ILE 18 N 2.06 1.25 0.15 0.90 2.10 -1.83 0.36 117.51 122.51 1xxe h ILE 18 Ca -0.49 -0.97 -0.35 0.00 1.08 0.00 0.00 64.86 64.13 1xxe h ILE 18 Cb 1.25 0.82 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 1xxe h ILE 18 CO 0.61 0.35 -1.81 0.45 -1.08 0.00 0.00 178.15 176.67 1xxe h HIS 19 N 0.80 0.56 -0.03 2.19 -0.00 -1.88 3.28 115.15 120.08 1xxe h HIS 19 Ca 0.17 -0.41 -0.17 0.00 -0.00 0.00 0.00 60.37 59.96 1xxe h HIS 19 Cb 0.42 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 1xxe h HIS 19 CO 0.03 1.64 -0.75 1.79 -0.00 0.00 0.00 177.93 180.65 1xxe h THR 20 N 0.08 1.46 -0.77 2.45 1.35 -1.93 -2.10 112.91 113.45 1xxe h THR 20 Ca -0.36 -2.35 -0.33 0.00 -0.55 0.00 0.00 66.41 62.82 1xxe h THR 20 Cb 2.06 2.26 -0.13 0.00 -1.73 0.00 0.00 68.15 70.62 1xxe h THR 20 CO 0.14 0.68 -0.30 0.61 -0.25 0.00 0.00 175.52 176.40 1xxe n GLY 21 N 0.59 1.62 3.66 5.82 0.00 0.12 -4.65 105.19 112.34 1xxe n GLY 21 Ca -0.03 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1xxe n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xxe s GLU 22 N -3.36 2.44 0.21 1.61 0.41 -1.26 -4.85 118.70 113.90 1xxe s GLU 22 Ca 0.00 -0.90 -0.30 0.00 -0.41 0.00 0.00 54.97 53.36 1xxe s GLU 22 Cb 0.00 -2.47 -0.09 0.00 -1.78 0.00 0.00 34.13 29.79 1xxe s GLU 22 CO 0.00 0.53 1.25 -0.47 -0.49 0.00 0.00 175.26 176.07 1xxe s TYR 23 N -1.31 3.33 0.06 1.61 5.04 -1.26 -2.01 117.35 122.81 1xxe s TYR 23 Ca 0.25 1.36 -0.05 0.00 -2.44 0.00 0.00 57.07 56.19 1xxe s TYR 23 Cb -0.11 -3.52 -0.02 0.00 0.35 0.00 0.00 41.96 38.66 1xxe s TYR 23 CO 0.17 -1.50 0.08 0.45 -1.34 0.00 0.00 175.55 173.41 1xxe s SER 24 N 0.08 0.26 0.11 4.32 0.15 -0.80 -4.84 113.70 112.97 1xxe s SER 24 Ca 0.53 -0.71 0.04 0.00 0.70 0.00 0.00 55.95 56.51 1xxe s SER 24 Cb -0.35 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 1xxe s SER 24 CO 0.39 -0.60 -0.10 -0.75 1.20 0.00 0.00 173.24 173.38 1xxe s LYS 25 N -3.37 0.92 0.02 5.44 2.20 -0.86 -1.77 119.74 122.33 1xxe s LYS 25 Ca 0.01 -1.27 0.03 0.00 -0.36 0.00 0.00 55.97 54.39 1xxe s LYS 25 Cb 0.03 -0.55 -0.02 0.00 -1.51 0.00 0.00 37.83 35.78 1xxe s LYS 25 CO -0.08 0.08 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.39 1xxe s LEU 26 N -2.71 2.15 -0.04 5.43 1.43 -0.59 -0.93 118.68 123.41 1xxe s LEU 26 Ca 0.10 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1xxe s LEU 26 Cb -0.01 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.88 1xxe s LEU 26 CO -0.00 -0.04 -0.11 -0.63 0.23 0.00 0.00 176.35 175.80 1xxe s ILE 27 N -0.79 0.96 -0.21 -0.59 1.01 -0.57 -1.05 121.20 119.96 1xxe s ILE 27 Ca -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 1xxe s ILE 27 Cb -0.07 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.56 1xxe s ILE 27 CO 0.00 0.30 -0.12 -0.63 0.00 0.00 0.00 174.94 174.50 1xxe s ILE 28 N 0.27 2.63 0.12 2.92 1.01 0.49 0.06 121.20 128.71 1xxe s ILE 28 Ca -0.05 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 59.79 1xxe s ILE 28 Cb -0.11 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1xxe s ILE 28 CO 0.01 0.38 -0.15 -1.00 0.00 0.00 0.00 174.94 174.18 1xxe s HIS 29 N 1.34 2.60 0.82 3.97 3.76 -0.95 -1.65 115.29 125.18 1xxe s HIS 29 Ca 0.03 -0.23 -0.12 0.00 -0.15 0.00 0.00 55.06 54.59 1xxe s HIS 29 Cb -0.15 -1.37 0.09 0.00 1.11 0.00 0.00 32.58 32.26 1xxe s HIS 29 CO -0.08 0.40 1.15 -1.25 -0.85 0.00 0.00 174.74 174.11 1xxe s PRO 30 N -2.18 1.71 0.32 8.40 0.04 -1.26 -1.59 135.00 140.44 1xxe s PRO 30 Ca 0.19 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.78 1xxe s PRO 30 Cb -0.11 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1xxe s PRO 30 CO 0.11 -2.11 0.16 0.39 0.04 0.00 0.00 177.00 175.59 1xxe n GLU 31 N -3.55 0.55 -3.01 4.56 -0.58 -1.26 -4.66 120.64 112.69 1xxe n GLU 31 Ca 0.12 -2.86 -0.33 0.00 -0.42 0.00 0.00 57.16 53.66 1xxe n GLU 31 Cb 0.52 1.79 -0.06 0.00 -0.57 0.00 0.00 31.44 33.11 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 -3.25 4.11 0.54 3.49 2.47 -1.26 -4.92 119.74 120.92 1xxe s LYS 32 Ca 0.22 0.86 -0.18 0.00 -1.56 0.00 0.00 55.97 55.31 1xxe s LYS 32 Cb 0.01 -2.35 -0.10 0.00 -1.46 0.00 0.00 37.83 33.93 1xxe s LYS 32 CO 0.16 0.09 0.41 0.39 0.16 0.00 0.00 175.35 176.56 1xxe n GLU 33 N -0.43 0.43 -1.87 4.03 4.71 -1.26 -1.13 120.64 125.12 1xxe n GLU 33 Ca 0.05 0.17 -0.20 0.00 -0.01 0.00 0.00 57.16 57.16 1xxe n GLU 33 Cb 0.53 -1.56 -0.06 0.00 -1.01 0.00 0.00 31.44 29.34 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 1.91 1.07 0.14 0.62 0.00 -1.26 -4.85 105.19 102.81 1xxe n GLY 34 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 1.36 0.00 2.61 2.02 -1.31 -3.51 112.91 114.08 1xxe h THR 35 Ca -0.43 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.12 1xxe h THR 35 Cb 1.32 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 70.83 1xxe h THR 35 CO 0.59 0.77 0.00 0.61 0.37 0.00 0.00 175.52 177.86 1xxe n GLY 36 N 1.71 -1.76 3.43 2.16 0.00 0.27 -4.89 105.19 106.10 1xxe n GLY 36 Ca -0.16 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 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 0.00 4.08 0.01 -0.61 -1.09 -1.24 -2.14 121.20 120.22 1xxe s ILE 37 Ca 0.00 -0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1xxe s ILE 37 Cb 0.00 -2.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 1xxe s ILE 37 CO 0.00 0.38 -0.07 0.00 -1.23 0.00 0.00 174.94 174.02 1xxe s ARG 38 N 1.39 0.54 0.13 2.79 1.70 -1.02 -2.21 118.95 122.27 1xxe s ARG 38 Ca 0.05 -0.43 0.03 0.00 -0.47 0.00 0.00 55.73 54.91 1xxe s ARG 38 Cb -0.15 -0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 33.74 1xxe s ARG 38 CO 0.02 0.11 0.18 -0.06 -1.08 0.00 0.00 175.30 174.47 1xxe s PHE 39 N -0.59 3.31 0.04 5.89 0.08 -0.85 -1.62 117.98 124.24 1xxe s PHE 39 Ca -0.02 0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.17 1xxe s PHE 39 Cb -0.05 -1.62 -0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1xxe s PHE 39 CO 0.00 0.53 -0.16 0.12 -0.10 0.00 0.00 175.22 175.61 1xxe s PHE 40 N -1.64 1.36 -0.29 0.36 2.19 -0.79 0.39 117.98 119.56 1xxe s PHE 40 Ca 0.32 -0.36 -0.21 0.00 0.33 0.00 0.00 56.93 57.02 1xxe s PHE 40 Cb -0.11 -0.81 0.16 0.00 -1.31 0.00 0.00 43.02 40.95 1xxe s PHE 40 CO 0.25 0.05 1.17 0.21 1.83 0.00 0.00 175.22 178.73 1xxe s LYS 41 N -1.14 0.28 -1.41 10.12 2.20 -0.17 -1.22 119.74 128.39 1xxe s LYS 41 Ca 0.03 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 1xxe s LYS 41 Cb -0.08 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1xxe s LYS 41 CO 0.01 -0.04 0.00 0.09 -0.36 0.00 0.00 175.35 175.05 1xxe n ASN 42 N 2.57 -4.87 -0.94 1.43 5.03 -1.26 -0.33 115.26 116.89 1xxe n ASN 42 Ca -0.14 0.10 -0.09 0.00 0.87 0.00 0.00 54.58 55.32 1xxe n ASN 42 Cb 0.57 -4.09 -0.01 0.00 -1.02 0.00 0.00 39.78 35.22 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xxe n GLY 43 N -0.89 0.22 3.00 7.41 0.00 -1.26 -5.02 105.19 108.66 1xxe n GLY 43 Ca -0.19 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.42 0.84 -0.01 1.61 1.01 0.55 -5.13 120.40 116.85 1xxe s VAL 44 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1xxe s VAL 44 Cb 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1xxe s VAL 44 CO 0.00 0.27 0.37 -0.31 0.00 0.00 0.00 175.10 175.43 1xxe s TYR 45 N 0.30 3.70 -0.36 5.22 1.51 -1.26 -1.00 117.35 125.47 1xxe s TYR 45 Ca -0.05 0.92 -0.00 0.00 -1.01 0.00 0.00 57.07 56.93 1xxe s TYR 45 Cb -0.10 -2.24 0.12 0.00 -0.11 0.00 0.00 41.96 39.63 1xxe s TYR 45 CO 0.01 0.65 0.17 0.42 -1.11 0.00 0.00 175.55 175.69 1xxe s ILE 46 N -1.10 0.75 0.44 2.71 1.01 0.16 -4.94 121.20 120.23 1xxe s ILE 46 Ca 0.23 -1.75 -0.23 0.00 0.00 0.00 0.00 60.65 58.91 1xxe s ILE 46 Cb -0.16 -1.55 -0.11 0.00 0.01 0.00 0.00 42.46 40.65 1xxe s ILE 46 CO 0.13 -0.82 0.78 -2.65 0.00 0.00 0.00 174.94 172.37 1xxe n PRO 47 N 4.31 0.91 -3.09 2.79 -0.02 -1.26 -2.00 135.00 136.63 1xxe n PRO 47 Ca 0.04 0.33 -0.45 0.00 -2.02 0.00 0.00 63.50 61.41 1xxe n PRO 47 Cb 0.38 -1.79 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.40 4.03 0.05 3.55 0.00 -0.94 -4.83 121.76 122.22 1xxe s ALA 48 Ca 0.65 -3.32 0.02 0.00 0.00 0.00 0.00 51.96 49.30 1xxe s ALA 48 Cb -0.56 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 18.65 1xxe s ALA 48 CO 0.56 -2.61 -0.06 1.03 0.00 0.00 0.00 175.76 174.68 1xxe s ARG 49 N 0.97 0.55 0.22 0.00 0.52 -1.26 -4.55 118.95 115.40 1xxe s ARG 49 Ca 0.33 -0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 54.58 1xxe s ARG 49 Cb -0.06 -0.17 0.32 0.00 0.52 0.00 0.00 34.95 35.56 1xxe s ARG 49 CO -0.06 0.01 1.70 1.12 0.02 0.00 0.00 175.30 178.09 1xxe h HIS 50 N 4.14 0.18 0.00 -0.53 2.07 -1.93 0.44 115.15 119.52 1xxe h HIS 50 Ca -0.35 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1xxe h HIS 50 Cb 1.19 0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1xxe h HIS 50 CO 0.63 -0.06 0.50 0.93 -3.07 0.00 0.00 177.93 176.86 1xxe h GLU 51 N 0.24 0.00 -0.22 5.12 5.08 -1.96 1.82 114.58 124.66 1xxe h GLU 51 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1xxe h GLU 51 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1xxe h GLU 51 CO -0.44 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 178.76 1xxe n PHE 52 N -2.31 0.28 -1.78 4.33 3.01 0.15 -4.90 117.46 116.24 1xxe n PHE 52 Ca -0.01 -0.14 -0.42 0.00 1.01 0.00 0.00 57.45 57.89 1xxe n PHE 52 Cb 0.52 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.96 1xxe n PHE 52 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1xxe s VAL 53 N -1.72 3.20 -0.05 -4.37 1.01 0.62 -2.89 120.40 116.19 1xxe s VAL 53 Ca 0.35 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.64 1xxe s VAL 53 Cb 0.20 -3.16 -0.11 0.00 0.00 0.00 0.00 36.38 33.31 1xxe s VAL 53 CO 0.30 -0.03 0.08 1.33 0.00 0.00 0.00 175.10 176.78 1xxe n VAL 54 N 5.69 0.35 -3.60 2.92 0.24 -1.03 -4.94 118.33 117.96 1xxe n VAL 54 Ca 0.20 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 1xxe n VAL 54 Cb 0.42 -0.41 -0.12 0.00 -1.47 0.00 0.00 33.84 32.26 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 -2.33 -0.51 -0.17 6.34 5.65 -1.20 -5.05 115.29 118.02 1xxe s HIS 55 Ca -0.04 0.92 -0.01 0.00 0.25 0.00 0.00 55.06 56.18 1xxe s HIS 55 Cb 0.03 -0.03 -0.01 0.00 -1.18 0.00 0.00 32.58 31.40 1xxe s HIS 55 CO 0.33 -0.46 -0.10 0.95 -0.65 0.00 0.00 174.74 174.81 1xxe s THR 56 N 2.45 3.07 0.00 0.89 -4.23 -1.26 -1.83 115.64 114.73 1xxe s THR 56 Ca 0.03 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1xxe s THR 56 Cb -0.13 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1xxe s THR 56 CO -0.11 0.49 0.00 -3.20 -0.54 0.00 0.00 174.62 171.26 1xxe n ASN 57 N 4.09 0.00 0.19 3.99 2.85 -1.26 -4.86 115.26 120.26 1xxe n ASN 57 Ca -0.18 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.31 1xxe n ASN 57 Cb 0.52 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.68 1xxe n ASN 57 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 1xxe h HIS 58 N 0.00 0.00 -4.41 1.20 2.76 -2.03 -3.39 115.15 109.28 1xxe h HIS 58 Ca 0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 1xxe h HIS 58 Cb 0.00 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 28.81 1xxe h HIS 58 CO 0.00 0.00 -0.64 0.45 -1.30 0.00 0.00 177.93 176.44 1xxe s SER 59 N -2.91 0.30 -0.18 3.26 0.15 -1.26 -5.03 113.70 108.03 1xxe s SER 59 Ca -0.01 -1.20 -0.04 0.00 0.70 0.00 0.00 55.95 55.41 1xxe s SER 59 Cb 0.02 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1xxe s SER 59 CO 0.05 -0.73 -0.04 -0.89 1.20 0.00 0.00 173.24 172.82 1xxe s THR 60 N -4.05 3.68 0.06 6.45 2.01 -1.26 -4.51 115.64 118.02 1xxe s THR 60 Ca 0.24 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.88 1xxe s THR 60 Cb 0.07 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 1xxe s THR 60 CO 0.02 0.47 -0.17 -1.81 -0.69 0.00 0.00 174.62 172.44 1xxe s ASP 61 N 0.75 2.00 0.22 3.53 1.01 -0.76 -1.22 116.67 122.19 1xxe s ASP 61 Ca -0.02 -0.54 0.10 0.00 0.71 0.00 0.00 52.55 52.80 1xxe s ASP 61 Cb -0.15 -0.12 -0.05 0.00 1.01 0.00 0.00 42.92 43.62 1xxe s ASP 61 CO 0.02 0.04 -0.19 -0.76 0.21 0.00 0.00 175.17 174.49 1xxe s LEU 62 N -1.40 2.51 -0.27 1.23 1.43 -0.63 -2.46 118.68 119.09 1xxe s LEU 62 Ca 0.03 -0.95 -0.27 0.00 -1.03 0.00 0.00 54.13 51.92 1xxe s LEU 62 Cb -0.09 -0.97 0.16 0.00 0.03 0.00 0.00 46.19 45.33 1xxe s LEU 62 CO 0.02 0.00 1.24 -0.83 0.23 0.00 0.00 176.35 177.02 1xxe s GLY 63 N -3.07 0.07 -0.00 -3.19 0.00 -1.14 0.33 107.32 100.31 1xxe s GLY 63 Ca 0.23 2.93 -0.05 0.00 0.00 0.00 0.00 44.72 47.83 1xxe s GLY 63 CO 0.10 1.61 0.08 -0.12 0.00 0.00 0.00 173.10 174.77 1xxe s PHE 64 N -0.30 0.07 -1.42 1.90 5.36 0.87 -4.81 117.98 119.65 1xxe s PHE 64 Ca 0.05 -0.15 -0.07 0.00 -0.96 0.00 0.00 56.93 55.80 1xxe s PHE 64 Cb -0.03 -0.07 0.04 0.00 -0.34 0.00 0.00 43.02 42.62 1xxe s PHE 64 CO -0.09 -0.21 0.84 1.63 -1.46 0.00 0.00 175.22 175.93 1xxe n LYS 65 N 1.83 -5.28 -0.93 10.12 5.02 -1.26 -0.31 118.16 127.35 1xxe n LYS 65 Ca -0.21 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1xxe n LYS 65 Cb 0.56 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 1xxe n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxe n GLY 66 N -1.65 0.41 3.85 0.72 0.00 -1.26 -4.99 105.19 102.27 1xxe n GLY 66 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 3.35 0.01 1.61 -1.52 0.58 -5.10 119.66 117.95 1xxe s GLN 67 Ca 0.00 -0.21 -0.04 0.00 -1.95 0.00 0.00 55.36 53.16 1xxe s GLN 67 Cb 0.00 -3.10 -0.01 0.00 -0.22 0.00 0.00 33.01 29.68 1xxe s GLN 67 CO 0.00 0.75 0.07 -0.98 -0.25 0.00 0.00 175.29 174.88 1xxe s ARG 68 N -1.14 0.41 0.01 2.91 1.70 -1.26 -0.09 118.95 121.49 1xxe s ARG 68 Ca 0.16 -0.47 0.03 0.00 -0.47 0.00 0.00 55.73 54.99 1xxe s ARG 68 Cb -0.12 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.41 1xxe s ARG 68 CO 0.06 -0.09 -0.09 0.42 -1.08 0.00 0.00 175.30 174.52 1xxe s ILE 69 N -1.37 0.69 0.14 4.99 1.01 0.15 -4.84 121.20 121.97 1xxe s ILE 69 Ca -0.15 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1xxe s ILE 69 Cb -0.08 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1xxe s ILE 69 CO 0.01 0.02 -0.11 -0.54 0.00 0.00 0.00 174.94 174.32 1xxe s LYS 70 N -0.66 2.04 -0.77 2.79 1.02 -0.72 -1.60 119.74 121.84 1xxe s LYS 70 Ca 0.00 -1.16 -0.00 0.00 0.02 0.00 0.00 55.97 54.83 1xxe s LYS 70 Cb -0.05 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1xxe s LYS 70 CO 0.00 0.47 0.67 2.41 -0.92 0.00 0.00 175.35 177.98 1xxe n THR 71 N 0.41 -7.95 0.31 2.17 -1.04 -0.36 -2.06 114.28 105.76 1xxe n THR 71 Ca -0.13 -0.16 0.03 0.00 -2.04 0.00 0.00 64.05 61.75 1xxe n THR 71 Cb 0.54 -5.63 -0.02 0.00 -1.82 0.00 0.00 70.33 63.39 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 -2.05 0.00 0.28 12.58 0.24 -1.24 -4.23 118.33 123.91 1xxe n VAL 72 Ca -0.11 -0.37 0.17 0.00 -2.04 0.00 0.00 64.34 61.99 1xxe n VAL 72 Cb 0.56 1.03 0.72 0.00 -1.47 0.00 0.00 33.84 34.68 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 0.27 0.00 0.50 7.34 4.11 -1.85 -2.54 114.58 122.40 1xxe h GLU 73 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1xxe h GLU 73 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xxe h GLU 73 CO 0.00 0.02 -0.24 0.45 0.07 0.00 0.00 179.01 179.31 1xxe h HIS 74 N 0.00 -0.63 -0.64 2.06 3.86 -1.90 -1.44 115.15 116.46 1xxe h HIS 74 Ca -0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1xxe h HIS 74 Cb 0.48 0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 1xxe h HIS 74 CO 0.00 -0.39 0.41 0.97 0.86 0.00 0.00 177.93 179.78 1xxe h ILE 75 N -1.11 1.13 -0.97 2.45 6.09 -1.87 -1.54 117.51 121.70 1xxe h ILE 75 Ca -0.07 -0.29 0.11 0.00 -1.37 0.00 0.00 64.86 63.24 1xxe h ILE 75 Cb 0.52 0.23 -0.08 0.00 0.47 0.00 0.00 36.82 37.96 1xxe h ILE 75 CO 0.11 0.15 0.62 -0.07 -3.07 0.00 0.00 178.15 175.90 1xxe h LEU 76 N 0.83 0.91 -0.26 2.19 3.38 -1.51 -1.12 115.31 119.74 1xxe h LEU 76 Ca 0.24 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1xxe h LEU 76 Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1xxe h LEU 76 CO -0.07 0.51 0.16 -1.28 0.09 0.00 0.00 178.44 177.85 1xxe h SER 77 N 0.99 0.27 0.24 -0.43 0.87 -0.22 0.65 113.55 115.92 1xxe h SER 77 Ca 0.46 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1xxe h SER 77 Cb 0.42 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1xxe h SER 77 CO -0.22 0.20 -0.24 0.58 -0.53 0.00 0.00 176.83 176.61 1xxe h VAL 78 N 0.33 0.47 -0.77 2.23 2.07 -0.94 -1.49 116.25 118.16 1xxe h VAL 78 Ca 0.10 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.76 1xxe h VAL 78 Cb -0.02 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 1xxe h VAL 78 CO -0.03 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.81 1xxe h LEU 79 N -0.52 0.32 0.41 2.57 3.38 -1.00 0.97 115.31 121.44 1xxe h LEU 79 Ca -0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xxe h LEU 79 Cb 0.48 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1xxe h LEU 79 CO -0.06 0.12 -0.43 -0.74 0.09 0.00 0.00 178.44 177.42 1xxe h HIS 80 N 0.47 -1.18 -0.81 1.13 2.76 -0.06 0.28 115.15 117.74 1xxe h HIS 80 Ca 0.42 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.64 1xxe h HIS 80 Cb 0.63 0.46 -0.05 0.00 1.55 0.00 0.00 27.41 30.01 1xxe h HIS 80 CO -0.15 -0.58 0.53 -0.07 -1.30 0.00 0.00 177.93 176.35 1xxe h LEU 81 N -0.86 0.85 0.00 0.26 3.38 -0.55 0.14 115.31 118.53 1xxe h LEU 81 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xxe h LEU 81 Cb 0.77 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1xxe h LEU 81 CO -0.08 0.58 0.00 0.18 0.09 0.00 0.00 178.44 179.21 1xxe n LEU 82 N -4.45 0.00 -3.24 1.67 4.77 0.27 -4.92 117.00 111.09 1xxe n LEU 82 Ca 0.11 0.36 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 1xxe n LEU 82 Cb 0.13 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 40.94 1xxe n LEU 82 CO 0.35 -0.03 0.08 -0.62 -1.33 0.00 0.00 177.39 175.83 1xxe n GLU 83 N -1.36 -4.92 -3.64 3.23 1.02 0.90 -4.98 120.64 110.88 1xxe n GLU 83 Ca 0.11 0.81 -0.36 0.00 -0.02 0.00 0.00 57.16 57.70 1xxe n GLU 83 Cb 0.25 -5.65 -0.07 0.00 -0.02 0.00 0.00 31.44 25.95 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 -3.35 5.36 -0.01 -3.67 -1.09 -0.75 -4.02 121.20 113.67 1xxe s ILE 84 Ca 0.14 0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 1xxe s ILE 84 Cb -0.02 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1xxe s ILE 84 CO 0.69 0.43 0.08 0.35 -1.23 0.00 0.00 174.94 175.25 1xxe n THR 85 N 3.43 0.00 -3.92 2.92 -2.24 -0.96 -4.83 114.28 108.68 1xxe n THR 85 Ca -0.14 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 1xxe n THR 85 Cb 0.52 0.46 -0.16 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.31 3.58 -0.28 3.42 -0.87 -1.18 0.94 114.94 118.26 1xxe s ASN 86 Ca -0.01 -1.05 -0.23 0.00 -1.57 0.00 0.00 52.86 50.00 1xxe s ASN 86 Cb 0.02 -1.09 0.11 0.00 -0.02 0.00 0.00 41.25 40.27 1xxe s ASN 86 CO 0.14 -0.23 0.92 0.68 -2.57 0.00 0.00 177.10 176.04 1xxe s VAL 87 N 1.47 0.00 -0.44 1.60 -7.23 -0.91 -4.02 120.40 110.87 1xxe s VAL 87 Ca -0.04 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.08 1xxe s VAL 87 Cb -0.18 -1.00 0.12 0.00 0.56 0.00 0.00 36.38 35.88 1xxe s VAL 87 CO -0.07 0.00 0.26 -0.89 -0.31 0.00 0.00 175.10 174.09 1xxe s THR 88 N 0.52 3.61 -0.44 5.32 2.01 -0.62 -2.45 115.64 123.59 1xxe s THR 88 Ca -0.00 -2.00 -0.22 0.00 0.31 0.00 0.00 61.69 59.78 1xxe s THR 88 Cb -0.05 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1xxe s THR 88 CO -0.07 -0.73 0.72 -0.63 -0.69 0.00 0.00 174.62 173.23 1xxe s ILE 89 N 1.17 4.73 -0.19 1.82 1.09 -0.64 -2.23 121.20 126.95 1xxe s ILE 89 Ca 0.08 0.32 -0.24 0.00 -1.10 0.00 0.00 60.65 59.71 1xxe s ILE 89 Cb -0.24 -4.26 -0.02 0.00 -1.06 0.00 0.00 42.46 36.88 1xxe s ILE 89 CO -0.03 -0.65 0.77 -1.61 -0.10 0.00 0.00 174.94 173.32 1xxe s GLU 90 N 3.07 4.25 -0.29 2.79 2.02 0.11 -1.89 118.70 128.77 1xxe s GLU 90 Ca 0.27 0.88 -0.07 0.00 0.02 0.00 0.00 54.97 56.06 1xxe s GLU 90 Cb -0.13 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.52 1xxe s GLU 90 CO 0.21 -0.33 0.09 0.08 0.02 0.00 0.00 175.26 175.33 1xxe s VAL 91 N 2.17 4.14 -0.43 2.63 1.01 -0.36 -1.52 120.40 128.04 1xxe s VAL 91 Ca 0.35 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1xxe s VAL 91 Cb -0.16 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.15 1xxe s VAL 91 CO 0.11 0.11 0.35 -0.63 0.00 0.00 0.00 175.10 175.04 1xxe s ILE 92 N 1.54 5.22 -3.63 2.22 1.09 -0.11 -4.64 121.20 122.87 1xxe s ILE 92 Ca 0.04 -0.70 0.00 0.00 -1.10 0.00 0.00 60.65 58.89 1xxe s ILE 92 Cb -0.17 -4.00 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 1xxe s ILE 92 CO 0.03 -0.40 0.00 0.61 -0.10 0.00 0.00 174.94 175.08 1xxe n GLY 93 N 5.16 0.84 0.00 6.18 0.00 -1.26 -2.03 105.19 114.08 1xxe n GLY 93 Ca -0.11 -2.00 0.03 0.00 0.00 0.00 0.00 46.02 43.94 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 0.69 2.40 -3.96 1.61 4.13 -1.26 -4.99 115.26 113.88 1xxe n ASN 94 Ca 0.00 -0.24 -0.12 0.00 1.68 0.00 0.00 54.58 55.90 1xxe n ASN 94 Cb 0.00 1.14 -0.13 0.00 -1.54 0.00 0.00 39.78 39.26 1xxe n ASN 94 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1xxe s GLU 95 N -2.01 0.29 0.07 3.52 2.12 -1.26 -1.76 118.70 119.66 1xxe s GLU 95 Ca -0.00 -0.39 -0.31 0.00 0.36 0.00 0.00 54.97 54.63 1xxe s GLU 95 Cb 0.04 -0.10 -0.07 0.00 0.26 0.00 0.00 34.13 34.25 1xxe s GLU 95 CO 0.21 0.01 1.48 0.42 -0.54 0.00 0.00 175.26 176.85 1xxe s ILE 96 N -0.78 3.29 0.02 -3.70 -1.09 -0.87 -4.51 121.20 113.55 1xxe s ILE 96 Ca -0.07 0.81 -0.38 0.00 -2.23 0.00 0.00 60.65 58.78 1xxe s ILE 96 Cb -0.06 -3.52 -0.18 0.00 -1.58 0.00 0.00 42.46 37.13 1xxe s ILE 96 CO -0.00 0.02 1.32 -2.65 -1.23 0.00 0.00 174.94 172.40 1xxe n PRO 97 N 4.85 0.83 0.11 2.79 -0.02 -1.26 -4.47 135.00 137.83 1xxe n PRO 97 Ca 0.13 0.30 -0.02 0.00 -2.02 0.00 0.00 63.50 61.90 1xxe n PRO 97 Cb 0.42 -1.91 0.04 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.34 0.00 4.25 6.09 -1.74 -3.47 117.51 127.43 1xxe h ILE 98 Ca -0.48 -2.61 0.00 0.00 -1.37 0.00 0.00 64.86 60.39 1xxe h ILE 98 Cb 1.36 2.48 0.00 0.00 0.47 0.00 0.00 36.82 41.13 1xxe h ILE 98 CO 0.77 0.70 0.00 0.18 -3.07 0.00 0.00 178.15 176.73 1xxe n LEU 99 N -3.43 0.00 0.05 2.19 4.77 -1.26 -0.65 117.00 118.67 1xxe n LEU 99 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1xxe n LEU 99 Cb 0.77 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 1xxe n LEU 99 CO 0.43 0.00 -0.29 -0.67 -1.33 0.00 0.00 177.39 175.53 1xxe n ASP 100 N 10.08 0.49 0.00 -1.43 2.03 -1.26 -4.62 116.55 121.84 1xxe n ASP 100 Ca 0.00 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1xxe n ASP 100 Cb 0.00 1.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 1xxe n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xxe n GLY 101 N 1.24 1.36 0.00 0.27 0.00 0.17 -4.26 105.19 103.97 1xxe n GLY 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.65 -0.24 1.61 3.41 -1.26 -1.01 113.62 117.78 1xxe n SER 102 Ca 0.00 -0.93 0.05 0.00 -0.26 0.00 0.00 58.87 57.73 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 -0.14 0.35 5.00 0.00 -0.89 -4.60 105.19 109.91 1xxe n GLY 103 Ca 0.00 -0.30 0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 1.17 0.94 0.14 1.61 2.91 -1.82 0.16 115.95 121.05 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 0.36 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1xxe h TRP 104 CO 0.00 -0.03 -0.07 0.93 -1.03 0.00 0.00 178.44 178.24 1xxe h GLU 105 N 0.46 -0.18 -0.43 2.65 5.08 -1.90 0.84 114.58 121.10 1xxe h GLU 105 Ca 0.68 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 59.00 1xxe h GLU 105 Cb 1.46 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 1xxe h GLU 105 CO -0.50 -0.07 0.05 0.74 -1.00 0.00 0.00 179.01 178.23 1xxe h PHE 106 N -0.25 0.77 -0.59 4.33 0.04 -1.43 -2.21 116.94 117.60 1xxe h PHE 106 Ca -0.02 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.59 1xxe h PHE 106 Cb 0.20 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1xxe h PHE 106 CO -0.05 0.75 0.19 -0.92 -0.60 0.00 0.00 178.31 177.68 1xxe h TYR 107 N 0.57 0.90 0.36 -0.55 5.03 -0.59 -0.68 116.97 122.00 1xxe h TYR 107 Ca 0.13 -0.07 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 1xxe h TYR 107 Cb 0.41 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1xxe h TYR 107 CO 0.03 0.72 -0.17 0.93 -1.32 0.00 0.00 178.16 178.35 1xxe h GLU 108 N 0.86 -0.46 0.04 1.82 4.39 0.10 -2.21 114.58 119.12 1xxe h GLU 108 Ca 0.20 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 1xxe h GLU 108 Cb 0.24 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1xxe h GLU 108 CO -0.01 -0.16 -0.02 0.00 -1.16 0.00 0.00 179.01 177.66 1xxe h ALA 109 N -0.24 -0.05 -0.57 3.43 0.00 -1.40 -3.21 119.26 117.22 1xxe h ALA 109 Ca -0.05 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1xxe h ALA 109 Cb 0.51 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1xxe h ALA 109 CO 0.08 -0.14 0.27 0.82 0.00 0.00 0.00 179.25 180.28 1xxe h ILE 110 N -0.82 0.90 -0.25 0.00 2.04 -1.26 -0.24 117.51 117.89 1xxe h ILE 110 Ca -0.00 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1xxe h ILE 110 Cb 0.69 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1xxe h ILE 110 CO 0.01 0.09 0.18 -0.09 0.00 0.00 0.00 178.15 178.35 1xxe h ARG 111 N 0.51 0.00 0.00 2.37 2.43 -1.50 0.29 114.38 118.47 1xxe h ARG 111 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1xxe h ARG 111 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1xxe h ARG 111 CO -0.21 0.00 -0.01 1.17 -1.51 0.00 0.00 179.97 179.41 1xxe n LYS 112 N -4.42 0.16 -1.29 0.20 4.81 -0.14 -3.63 118.16 113.86 1xxe n LYS 112 Ca 0.03 0.13 -0.07 0.00 -0.87 0.00 0.00 58.31 57.53 1xxe n LYS 112 Cb 0.34 -1.69 0.12 0.00 0.02 0.00 0.00 35.03 33.82 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 -1.97 3.12 -4.84 3.14 5.03 0.97 -5.04 115.26 115.67 1xxe n ASN 113 Ca 0.06 -3.77 -0.34 0.00 0.87 0.00 0.00 54.58 51.41 1xxe n ASN 113 Cb 0.40 -0.44 -0.06 0.00 -1.02 0.00 0.00 39.78 38.66 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xxe s ILE 114 N -3.79 4.72 -0.04 2.41 1.01 -0.96 0.60 121.20 125.16 1xxe s ILE 114 Ca 0.44 0.94 0.03 0.00 0.00 0.00 0.00 60.65 62.05 1xxe s ILE 114 Cb 0.39 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 39.16 1xxe s ILE 114 CO -0.02 0.03 -0.11 -0.22 0.00 0.00 0.00 174.94 174.62 1xxe s LEU 115 N -2.48 1.71 0.16 2.97 2.96 0.30 -4.45 118.68 119.86 1xxe s LEU 115 Ca 0.47 -0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 53.98 1xxe s LEU 115 Cb -0.13 -0.68 -0.07 0.00 0.50 0.00 0.00 46.19 45.81 1xxe s LEU 115 CO 0.19 0.06 0.61 0.20 -1.32 0.00 0.00 176.35 176.09 1xxe s ASN 116 N 0.38 6.93 0.00 3.68 0.01 -1.26 -0.86 114.94 123.83 1xxe s ASN 116 Ca -0.07 1.21 0.00 0.00 -0.71 0.00 0.00 52.86 53.29 1xxe s ASN 116 Cb -0.12 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.20 1xxe s ASN 116 CO 0.02 0.11 0.00 0.00 -1.51 0.00 0.00 177.10 175.71 1xxe n GLN 117 N 0.92 3.25 0.00 -0.60 6.02 -0.43 -4.91 117.38 121.63 1xxe n GLN 117 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1xxe n GLN 117 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 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 -0.13 1.31 -4.91 1.08 0.23 -1.26 -4.75 115.26 106.83 1xxe n ASN 118 Ca 0.00 -1.33 -0.30 0.00 -0.53 0.00 0.00 54.58 52.42 1xxe n ASN 118 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 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 -0.33 3.59 0.05 -3.83 6.06 -1.26 -4.92 118.95 118.31 1xxe s ARG 119 Ca 0.00 -0.16 -0.16 0.00 -2.50 0.00 0.00 55.73 52.91 1xxe s ARG 119 Cb 0.00 -2.85 -0.06 0.00 0.06 0.00 0.00 34.95 32.10 1xxe s ARG 119 CO 0.00 0.45 0.48 -2.00 -2.50 0.00 0.00 175.30 171.74 1xxe s GLU 120 N -2.83 4.02 0.35 5.12 2.12 -1.26 0.16 118.70 126.37 1xxe s GLU 120 Ca 0.40 0.52 -0.18 0.00 0.36 0.00 0.00 54.97 56.07 1xxe s GLU 120 Cb -0.12 -3.17 -0.10 0.00 0.26 0.00 0.00 34.13 31.01 1xxe s GLU 120 CO 0.26 0.63 0.83 0.42 -0.54 0.00 0.00 175.26 176.86 1xxe s ILE 121 N -1.17 4.53 -0.83 -3.70 1.01 -1.26 -4.69 121.20 115.09 1xxe s ILE 121 Ca 0.28 1.24 -0.19 0.00 0.00 0.00 0.00 60.65 61.99 1xxe s ILE 121 Cb -0.17 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.75 1xxe s ILE 121 CO 0.17 -0.16 1.01 -0.62 0.00 0.00 0.00 174.94 175.34 1xxe s ASP 122 N -2.12 6.50 0.50 3.58 2.15 -1.26 -5.02 116.67 121.00 1xxe s ASP 122 Ca 0.55 -1.83 -0.22 0.00 0.43 0.00 0.00 52.55 51.49 1xxe s ASP 122 Cb -0.11 -2.37 -0.06 0.00 -0.30 0.00 0.00 42.92 40.07 1xxe s ASP 122 CO 0.17 -1.10 1.22 -0.31 -0.17 0.00 0.00 175.17 174.98 1xxe s TYR 123 N 2.73 2.67 -0.19 -5.34 1.51 -1.26 -4.62 117.35 112.85 1xxe s TYR 123 Ca 0.27 1.49 -0.07 0.00 -1.01 0.00 0.00 57.07 57.75 1xxe s TYR 123 Cb -0.10 -3.49 -0.04 0.00 -0.11 0.00 0.00 41.96 38.22 1xxe s TYR 123 CO -0.04 -1.94 0.05 0.12 -1.11 0.00 0.00 175.55 172.64 1xxe s PHE 124 N -1.50 3.20 0.01 2.71 2.19 0.29 -4.99 117.98 119.90 1xxe s PHE 124 Ca 0.67 -0.03 0.05 0.00 0.33 0.00 0.00 56.93 57.95 1xxe s PHE 124 Cb -0.32 -2.08 -0.02 0.00 -1.31 0.00 0.00 43.02 39.29 1xxe s PHE 124 CO 0.37 0.07 -0.14 0.08 1.83 0.00 0.00 175.22 177.43 1xxe s VAL 125 N 0.52 1.13 0.08 3.12 1.01 -1.26 0.47 120.40 125.48 1xxe s VAL 125 Ca 0.02 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1xxe s VAL 125 Cb -0.13 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1xxe s VAL 125 CO 0.01 0.17 0.92 -0.69 0.00 0.00 0.00 175.10 175.51 1xxe s VAL 126 N -0.59 4.59 -0.24 2.92 1.01 -0.66 -4.92 120.40 122.50 1xxe s VAL 126 Ca 0.04 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.06 1xxe s VAL 126 Cb -0.07 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 1xxe s VAL 126 CO 0.00 0.31 0.23 -0.62 0.00 0.00 0.00 175.10 175.02 1xxe n GLU 127 N 2.92 4.78 -3.86 2.72 -0.58 -1.26 -4.25 120.64 121.11 1xxe n GLU 127 Ca 0.02 -0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.64 1xxe n GLU 127 Cb 0.50 -0.79 -0.12 0.00 -0.57 0.00 0.00 31.44 30.46 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 -1.59 0.25 0.47 3.49 -1.05 -1.26 -4.82 118.70 114.18 1xxe s GLU 128 Ca 0.02 -0.10 -0.21 0.00 -0.15 0.00 0.00 54.97 54.52 1xxe s GLU 128 Cb 0.04 0.11 -0.08 0.00 -0.44 0.00 0.00 34.13 33.76 1xxe s GLU 128 CO 0.23 -0.05 1.06 -1.25 0.95 0.00 0.00 175.26 176.20 1xxe s PRO 129 N -0.54 3.85 0.03 -4.83 0.04 -1.26 -4.63 135.00 127.65 1xxe s PRO 129 Ca -0.06 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1xxe s PRO 129 Cb -0.04 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1xxe s PRO 129 CO 0.00 -0.41 -0.04 -1.50 0.04 0.00 0.00 177.00 175.10 1xxe s ILE 130 N -1.85 0.23 -0.09 0.56 2.07 -0.93 -4.93 121.20 116.26 1xxe s ILE 130 Ca 0.65 -1.09 -0.01 0.00 -1.41 0.00 0.00 60.65 58.79 1xxe s ILE 130 Cb -0.19 -0.54 0.03 0.00 0.13 0.00 0.00 42.46 41.89 1xxe s ILE 130 CO 0.23 -0.55 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.05 1xxe s ILE 131 N -1.82 0.65 -0.18 2.00 1.09 -1.26 -0.77 121.20 120.89 1xxe s ILE 131 Ca -0.11 -0.06 0.01 0.00 -1.10 0.00 0.00 60.65 59.39 1xxe s ILE 131 Cb -0.07 -0.76 0.03 0.00 -1.06 0.00 0.00 42.46 40.60 1xxe s ILE 131 CO -0.02 0.29 -0.14 0.68 -0.10 0.00 0.00 174.94 175.65 1xxe s VAL 132 N 1.86 1.78 -0.05 2.92 -7.23 -0.69 -4.99 120.40 114.01 1xxe s VAL 132 Ca 0.05 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 1xxe s VAL 132 Cb -0.12 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1xxe s VAL 132 CO -0.07 0.34 0.03 -0.70 -0.31 0.00 0.00 175.10 174.39 1xxe s GLU 133 N 1.37 2.99 -0.28 4.82 2.12 -1.26 -1.66 118.70 126.79 1xxe s GLU 133 Ca 0.02 -0.46 -0.10 0.00 0.36 0.00 0.00 54.97 54.79 1xxe s GLU 133 Cb -0.15 -2.81 0.12 0.00 0.26 0.00 0.00 34.13 31.56 1xxe s GLU 133 CO -0.10 0.68 0.62 0.34 -0.54 0.00 0.00 175.26 176.25 1xxe s ASP 134 N -1.27 -1.01 -1.67 -1.70 2.15 -0.08 -4.94 116.67 108.14 1xxe s ASP 134 Ca 0.17 1.49 -0.14 0.00 0.43 0.00 0.00 52.55 54.50 1xxe s ASP 134 Cb -0.12 2.14 0.13 0.00 -0.30 0.00 0.00 42.92 44.78 1xxe s ASP 134 CO 0.07 -0.22 0.60 -0.62 -0.17 0.00 0.00 175.17 174.83 1xxe n GLU 135 N 5.41 -2.47 -0.67 4.34 1.02 -1.26 0.84 120.64 127.85 1xxe n GLU 135 Ca -0.12 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1xxe n GLU 135 Cb 0.49 -4.76 0.00 0.00 -0.02 0.00 0.00 31.44 27.15 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 136 N -1.57 0.80 3.92 0.62 0.00 -1.26 -5.04 105.19 102.67 1xxe n GLY 136 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.33 3.01 -0.13 1.61 0.52 0.25 -4.88 118.95 119.00 1xxe s ARG 137 Ca 0.00 -1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 53.84 1xxe s ARG 137 Cb 0.00 -2.68 0.07 0.00 0.52 0.00 0.00 34.95 32.86 1xxe s ARG 137 CO 0.00 0.16 0.70 -1.17 0.02 0.00 0.00 175.30 175.01 1xxe s LEU 138 N -4.05 -0.69 -0.10 2.53 0.20 -0.88 -0.90 118.68 114.79 1xxe s LEU 138 Ca 0.41 0.97 -0.05 0.00 0.69 0.00 0.00 54.13 56.15 1xxe s LEU 138 Cb -0.08 2.50 0.05 0.00 -0.43 0.00 0.00 46.19 48.23 1xxe s LEU 138 CO 0.29 -0.48 0.23 -0.63 -0.29 0.00 0.00 176.35 175.46 1xxe s ILE 139 N -0.64 -0.05 -0.03 6.68 1.01 -0.66 -0.91 121.20 126.59 1xxe s ILE 139 Ca -0.07 0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.80 1xxe s ILE 139 Cb -0.02 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1xxe s ILE 139 CO 0.07 0.07 -0.23 -0.75 0.00 0.00 0.00 174.94 174.10 1xxe s LYS 140 N 1.28 2.28 0.14 2.79 2.20 -0.44 -1.70 119.74 126.29 1xxe s LYS 140 Ca -0.09 -0.86 0.10 0.00 -0.36 0.00 0.00 55.97 54.76 1xxe s LYS 140 Cb -0.11 -2.15 -0.04 0.00 -1.51 0.00 0.00 37.83 34.02 1xxe s LYS 140 CO -0.08 0.55 -0.19 0.00 -0.36 0.00 0.00 175.35 175.27 1xxe s ALA 141 N -0.58 2.65 -0.14 3.13 0.00 0.05 -0.30 121.76 126.56 1xxe s ALA 141 Ca 0.09 -1.45 -0.13 0.00 0.00 0.00 0.00 51.96 50.47 1xxe s ALA 141 Cb -0.11 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.50 1xxe s ALA 141 CO -0.00 0.53 0.37 -2.00 0.00 0.00 0.00 175.76 174.66 1xxe s GLU 142 N -2.35 0.43 0.54 0.00 2.12 0.26 -2.20 118.70 117.50 1xxe s GLU 142 Ca 0.19 0.53 -0.22 0.00 0.36 0.00 0.00 54.97 55.82 1xxe s GLU 142 Cb -0.10 0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.44 1xxe s GLU 142 CO 0.10 -0.06 1.38 -1.25 -0.54 0.00 0.00 175.26 174.90 1xxe s PRO 143 N 0.25 3.18 -0.07 4.30 0.04 -1.26 0.03 135.00 141.48 1xxe s PRO 143 Ca -0.00 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 1xxe s PRO 143 Cb -0.03 -2.31 0.10 0.00 0.04 0.00 0.00 34.50 32.31 1xxe s PRO 143 CO -0.00 -1.18 0.86 0.45 0.04 0.00 0.00 177.00 177.17 1xxe s SER 144 N -0.85 -0.46 0.00 6.66 0.15 -1.26 -4.40 113.70 113.54 1xxe s SER 144 Ca 0.70 0.35 0.20 0.00 0.70 0.00 0.00 55.95 57.90 1xxe s SER 144 Cb -0.42 0.41 0.98 0.00 -1.71 0.00 0.00 66.02 65.28 1xxe s SER 144 CO 0.50 -0.53 1.66 0.47 1.20 0.00 0.00 173.24 176.54 1xxe n ASP 145 N 0.45 0.70 -3.96 5.45 9.92 -1.26 -3.73 116.55 124.11 1xxe n ASP 145 Ca -0.13 -1.53 -0.09 0.00 -0.53 0.00 0.00 54.79 52.52 1xxe n ASP 145 Cb 0.59 -0.04 -0.11 0.00 -0.64 0.00 0.00 41.12 40.92 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1xxe s THR 146 N -1.92 0.12 -0.26 -3.53 -4.23 -1.26 -4.91 115.64 99.65 1xxe s THR 146 Ca 0.30 -0.97 -0.27 0.00 -1.18 0.00 0.00 61.69 59.57 1xxe s THR 146 Cb 0.15 -0.47 0.01 0.00 1.34 0.00 0.00 72.50 73.53 1xxe s THR 146 CO 0.24 -0.53 0.98 -0.22 -0.54 0.00 0.00 174.62 174.54 1xxe s LEU 147 N -1.64 4.06 -0.01 4.79 2.96 -1.26 -2.30 118.68 125.28 1xxe s LEU 147 Ca -0.13 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 1xxe s LEU 147 Cb -0.07 -3.42 0.01 0.00 0.50 0.00 0.00 46.19 43.21 1xxe s LEU 147 CO -0.02 -0.67 -0.00 -0.70 -1.32 0.00 0.00 176.35 173.64 1xxe s GLU 148 N 3.19 0.15 -0.11 1.98 2.12 -0.11 -2.92 118.70 122.99 1xxe s GLU 148 Ca 0.41 0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.76 1xxe s GLU 148 Cb -0.14 -0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.02 1xxe s GLU 148 CO 0.09 -0.05 -0.02 0.08 -0.54 0.00 0.00 175.26 174.82 1xxe s VAL 149 N 0.49 0.63 -0.15 3.70 1.01 -0.84 -0.32 120.40 124.93 1xxe s VAL 149 Ca -0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1xxe s VAL 149 Cb -0.07 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1xxe s VAL 149 CO -0.01 0.19 0.06 -0.89 0.00 0.00 0.00 175.10 174.44 1xxe s THR 150 N 1.85 4.80 -0.09 3.92 2.01 0.16 -1.58 115.64 126.72 1xxe s THR 150 Ca 0.03 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1xxe s THR 150 Cb -0.14 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1xxe s THR 150 CO -0.07 0.52 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.71 1xxe s TYR 151 N -0.15 2.25 -0.32 4.92 5.04 -0.97 0.14 117.35 128.26 1xxe s TYR 151 Ca 0.07 -0.89 -0.01 0.00 -2.44 0.00 0.00 57.07 53.80 1xxe s TYR 151 Cb -0.12 -1.53 0.07 0.00 0.35 0.00 0.00 41.96 40.73 1xxe s TYR 151 CO 0.01 -0.37 0.03 -2.00 -1.34 0.00 0.00 175.55 171.88 1xxe s GLU 152 N 0.40 2.22 -0.13 4.97 2.12 0.16 -1.76 118.70 126.68 1xxe s GLU 152 Ca -0.17 -1.45 -0.11 0.00 0.36 0.00 0.00 54.97 53.60 1xxe s GLU 152 Cb -0.17 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 1xxe s GLU 152 CO 0.07 -0.73 0.23 0.20 -0.54 0.00 0.00 175.26 174.48 1xxe s GLY 153 N 1.30 2.20 -0.83 -1.50 0.00 0.38 -1.43 107.32 107.45 1xxe s GLY 153 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 44.72 44.13 1xxe s GLY 153 CO -0.03 0.07 0.72 1.85 0.00 0.00 0.00 173.10 175.71 1xxe s GLU 154 N -0.26 3.23 0.10 2.90 2.12 -1.26 -0.91 118.70 124.62 1xxe s GLU 154 Ca 0.15 -2.91 -0.13 0.00 0.36 0.00 0.00 54.97 52.44 1xxe s GLU 154 Cb -0.13 -4.04 -0.06 0.00 0.26 0.00 0.00 34.13 30.16 1xxe s GLU 154 CO 0.04 -1.24 0.47 -0.06 -0.54 0.00 0.00 175.26 173.94 1xxe s PHE 155 N -0.70 3.62 -2.58 5.30 0.40 0.30 -4.91 117.98 119.41 1xxe s PHE 155 Ca 0.23 0.96 0.25 0.00 -0.60 0.00 0.00 56.93 57.77 1xxe s PHE 155 Cb -0.12 -2.28 0.48 0.00 0.51 0.00 0.00 43.02 41.61 1xxe s PHE 155 CO -0.08 0.50 1.41 1.63 0.70 0.00 0.00 175.22 179.38 1xxe n LYS 156 N 1.02 1.81 0.00 0.44 5.02 -1.26 -3.18 118.16 122.00 1xxe n LYS 156 Ca -0.08 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.86 1xxe n LYS 156 Cb 0.52 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1xxe n LYS 156 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xxe n ASN 157 N 0.58 -0.67 0.31 4.39 6.94 -1.26 -4.64 115.26 120.90 1xxe n ASN 157 Ca 0.15 -0.44 0.18 0.00 -0.02 0.00 0.00 54.58 54.44 1xxe n ASN 157 Cb 0.48 0.00 0.99 0.00 -2.36 0.00 0.00 39.78 38.89 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 -1.21 0.00 0.00 -2.53 -0.00 -1.48 0.86 116.94 112.57 1xxe h PHE 158 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.94 1xxe h PHE 158 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1xxe h PHE 158 CO 0.00 0.02 -0.15 -0.07 -0.00 0.00 0.00 178.31 178.10 1xxe h LEU 159 N 0.00 0.00 0.00 2.10 3.38 -1.88 -3.48 115.31 115.44 1xxe h LEU 159 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 159 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xxe h LEU 159 CO 0.00 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1xxe n GLY 160 N 0.12 3.31 3.89 0.83 0.00 0.29 -4.55 105.19 109.08 1xxe n GLY 160 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 3.54 0.26 1.61 0.52 -1.22 -0.54 118.95 123.12 1xxe s ARG 161 Ca 0.00 -0.12 -0.13 0.00 -0.52 0.00 0.00 55.73 54.96 1xxe s ARG 161 Cb 0.00 -3.09 -0.00 0.00 0.52 0.00 0.00 34.95 32.37 1xxe s ARG 161 CO 0.00 0.67 0.50 -1.14 0.02 0.00 0.00 175.30 175.35 1xxe s GLN 162 N -1.71 1.60 0.03 3.54 2.00 -0.09 -4.92 119.66 120.10 1xxe s GLN 162 Ca 0.26 -1.26 -0.27 0.00 -2.00 0.00 0.00 55.36 52.09 1xxe s GLN 162 Cb -0.13 0.48 0.07 0.00 0.80 0.00 0.00 33.01 34.23 1xxe s GLN 162 CO 0.15 -0.67 0.63 -1.59 -0.50 0.00 0.00 175.29 173.31 1xxe s LYS 163 N -3.94 1.12 -0.03 1.67 -2.85 -1.26 -0.47 119.74 113.98 1xxe s LYS 163 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 1xxe s LYS 163 Cb -0.01 0.52 0.03 0.00 -2.06 0.00 0.00 37.83 36.30 1xxe s LYS 163 CO 0.09 -0.40 0.00 0.12 0.10 0.00 0.00 175.35 175.27 1xxe s PHE 164 N -2.12 0.26 -0.24 1.78 5.36 -0.73 -4.98 117.98 117.31 1xxe s PHE 164 Ca -0.07 0.02 -0.09 0.00 -0.96 0.00 0.00 56.93 55.83 1xxe s PHE 164 Cb -0.00 -0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.27 1xxe s PHE 164 CO 0.02 -0.12 0.12 -0.08 -1.46 0.00 0.00 175.22 173.70 1xxe s THR 165 N 0.98 4.94 -0.15 0.12 -1.32 -1.26 -2.29 115.64 116.67 1xxe s THR 165 Ca -0.10 0.04 -0.10 0.00 -1.21 0.00 0.00 61.69 60.33 1xxe s THR 165 Cb -0.13 -3.31 -0.05 0.00 -1.51 0.00 0.00 72.50 67.50 1xxe s THR 165 CO -0.02 0.34 0.17 0.12 -2.21 0.00 0.00 174.62 173.02 1xxe s PHE 166 N 1.28 3.51 0.05 9.09 5.36 -0.61 -4.97 117.98 131.69 1xxe s PHE 166 Ca 0.06 0.48 0.03 0.00 -0.96 0.00 0.00 56.93 56.55 1xxe s PHE 166 Cb -0.14 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 1xxe s PHE 166 CO 0.05 0.48 -0.10 0.08 -1.46 0.00 0.00 175.22 174.27 1xxe s VAL 167 N -0.26 0.76 -0.25 3.12 1.01 -1.26 -1.99 120.40 121.53 1xxe s VAL 167 Ca 0.13 -1.14 -0.37 0.00 0.00 0.00 0.00 61.98 60.60 1xxe s VAL 167 Cb -0.12 -0.78 -0.13 0.00 0.00 0.00 0.00 36.38 35.35 1xxe s VAL 167 CO 0.02 -0.30 1.93 -0.62 0.00 0.00 0.00 175.10 176.13 1xxe n GLU 168 N 1.45 1.43 0.00 2.72 1.02 -1.15 -1.51 120.64 124.61 1xxe n GLU 168 Ca -0.22 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1xxe n GLU 168 Cb 0.55 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 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 5.01 1.18 1.26 0.62 0.00 -1.26 -4.97 105.19 107.03 1xxe n GLY 169 Ca 0.30 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.37 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 1.19 -0.03 1.61 4.13 -0.57 -4.85 115.26 116.73 1xxe n ASN 170 Ca 0.00 -2.51 -0.01 0.00 1.68 0.00 0.00 54.58 53.74 1xxe n ASN 170 Cb 0.00 -0.36 0.25 0.00 -1.54 0.00 0.00 39.78 38.13 1xxe n ASN 170 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1xxe h GLU 171 N 1.00 0.60 0.00 3.52 5.08 -1.94 -2.34 114.58 120.50 1xxe h GLU 171 Ca -0.17 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1xxe h GLU 171 Cb 1.66 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1xxe h GLU 171 CO 0.07 0.63 0.00 0.93 -1.00 0.00 0.00 179.01 179.64 1xxe h GLU 172 N 0.57 0.00 -0.01 2.33 4.39 -1.98 0.29 114.58 120.17 1xxe h GLU 172 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1xxe h GLU 172 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1xxe h GLU 172 CO 0.01 0.00 -0.10 0.39 -1.16 0.00 0.00 179.01 178.15 1xxe n GLU 173 N -2.60 0.86 0.00 2.33 1.02 -0.88 -4.19 120.64 117.17 1xxe n GLU 173 Ca -0.02 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 1xxe n GLU 173 Cb 0.05 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1xxe n GLU 173 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xxe n ILE 174 N -0.78 0.00 0.25 -3.67 -5.35 0.01 -4.66 119.36 105.17 1xxe n ILE 174 Ca 0.16 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.71 1xxe n ILE 174 Cb 0.28 -0.64 0.60 0.00 -1.74 0.00 0.00 39.64 38.14 1xxe n ILE 174 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 1xxe h VAL 175 N 0.00 1.03 -0.08 7.28 -1.51 -1.52 -0.65 116.25 120.80 1xxe h VAL 175 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1xxe h VAL 175 Cb 0.80 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1xxe h VAL 175 CO 0.00 0.05 0.00 0.18 -1.23 0.00 0.00 177.57 176.57 1xxe n LEU 176 N -4.48 1.22 -4.62 4.19 4.77 -1.26 -2.09 117.00 114.73 1xxe n LEU 176 Ca -0.03 -0.47 -0.43 0.00 -0.03 0.00 0.00 56.01 55.05 1xxe n LEU 176 Cb 0.13 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1xxe n LEU 176 CO 0.35 0.24 0.89 0.00 -1.33 0.00 0.00 177.39 177.53 1xxe s ALA 177 N -1.90 3.44 0.37 -1.18 0.00 -0.25 -4.88 121.76 117.35 1xxe s ALA 177 Ca 0.35 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 1xxe s ALA 177 Cb 0.18 -3.64 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1xxe s ALA 177 CO 0.29 -1.59 0.74 -0.98 0.00 0.00 0.00 175.76 174.22 1xxe s ARG 178 N 3.65 3.84 0.23 0.00 1.70 -1.26 -4.46 118.95 122.65 1xxe s ARG 178 Ca 0.43 0.51 -0.31 0.00 -0.47 0.00 0.00 55.73 55.88 1xxe s ARG 178 Cb -0.12 -2.42 -0.12 0.00 -0.57 0.00 0.00 34.95 31.72 1xxe s ARG 178 CO 0.18 0.05 1.70 -2.37 -1.08 0.00 0.00 175.30 173.77 1xxe n THR 179 N -0.94 0.27 -3.83 4.99 5.66 -0.18 -4.80 114.28 115.45 1xxe n THR 179 Ca 0.03 -0.07 -0.24 0.00 -3.05 0.00 0.00 64.05 60.72 1xxe n THR 179 Cb 0.54 -1.99 -0.04 0.00 -1.55 0.00 0.00 70.33 67.29 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 0.87 2.35 0.12 1.09 -0.71 -1.26 -2.28 117.98 118.15 1xxe s PHE 180 Ca 0.72 -0.63 -0.18 0.00 -1.04 0.00 0.00 56.93 55.81 1xxe s PHE 180 Cb -0.50 -2.03 0.04 0.00 -1.21 0.00 0.00 43.02 39.32 1xxe s PHE 180 CO 0.36 -0.14 0.44 0.00 -1.34 0.00 0.00 175.22 174.55 1xxe s PHE 182 N -3.55 3.30 0.59 0.00 0.08 -1.26 -0.84 117.98 116.30 1xxe s PHE 182 Ca 0.01 0.23 0.32 0.00 0.12 0.00 0.00 56.93 57.62 1xxe s PHE 182 Cb 0.01 -1.76 1.90 0.00 -0.57 0.00 0.00 43.02 42.60 1xxe s PHE 182 CO -0.10 0.56 2.27 0.38 -0.10 0.00 0.00 175.22 178.22 1xxe h ASP 183 N 4.29 0.00 0.76 1.36 3.04 -1.80 -0.49 116.42 123.58 1xxe h ASP 183 Ca -0.50 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.04 1xxe h ASP 183 Cb 1.19 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.46 1xxe h ASP 183 CO 0.61 0.01 -1.23 4.11 -2.04 0.00 0.00 179.24 180.69 1xxe h TRP 184 N 0.00 0.18 0.00 4.15 0.09 -1.94 -3.29 115.95 115.14 1xxe h TRP 184 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 58.89 58.85 1xxe h TRP 184 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.26 1xxe h TRP 184 CO 0.00 1.12 -0.55 1.05 0.09 0.00 0.00 178.44 180.16 1xxe h GLU 185 N 0.03 0.00 0.15 0.12 4.11 -1.76 -3.36 114.58 113.86 1xxe h GLU 185 Ca -0.11 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.33 1xxe h GLU 185 Cb 1.89 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 1xxe h GLU 185 CO 0.14 0.00 -0.17 0.82 0.07 0.00 0.00 179.01 179.87 1xxe h ILE 186 N 0.00 0.61 -0.40 -1.06 2.04 -1.18 -1.76 117.51 115.77 1xxe h ILE 186 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1xxe h ILE 186 Cb 0.83 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 1xxe h ILE 186 CO 0.00 0.00 -0.14 -0.33 0.00 0.00 0.00 178.15 177.68 1xxe h GLU 187 N -0.36 -0.06 -0.48 2.37 4.39 -1.73 0.17 114.58 118.87 1xxe h GLU 187 Ca 0.01 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.80 1xxe h GLU 187 Cb 0.36 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 1xxe h GLU 187 CO -0.06 -0.04 0.04 0.45 -1.16 0.00 0.00 179.01 178.25 1xxe h HIS 188 N -0.06 0.05 -0.43 4.33 3.86 -1.68 0.71 115.15 121.94 1xxe h HIS 188 Ca 0.19 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1xxe h HIS 188 Cb 0.35 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1xxe h HIS 188 CO -0.39 -0.06 0.27 0.82 0.86 0.00 0.00 177.93 179.43 1xxe h ILE 189 N 0.16 1.12 0.00 2.45 2.04 -0.18 -1.50 117.51 121.60 1xxe h ILE 189 Ca 0.24 -0.24 -0.18 0.00 1.00 0.00 0.00 64.86 65.69 1xxe h ILE 189 Cb 0.35 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1xxe h ILE 189 CO -0.37 0.12 -0.83 0.11 0.00 0.00 0.00 178.15 177.18 1xxe h LYS 190 N 0.58 0.00 0.00 2.37 1.79 0.22 -1.92 116.57 119.61 1xxe h LYS 190 Ca 0.16 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1xxe h LYS 190 Cb -0.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1xxe h LYS 190 CO -0.03 0.83 -0.17 0.87 -1.08 0.00 0.00 179.45 179.87 1xxe h LYS 191 N 0.00 0.00 -0.40 3.15 1.57 0.12 -3.02 116.57 118.00 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 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 1xxe h LYS 191 CO 0.11 0.17 0.00 1.33 -0.57 0.00 0.00 179.45 180.49 1xxe n VAL 192 N -3.18 0.55 -1.66 0.50 0.24 -0.73 -4.87 118.33 109.17 1xxe n VAL 192 Ca 0.02 -0.48 -0.05 0.00 -2.04 0.00 0.00 64.34 61.79 1xxe n VAL 192 Cb 0.53 0.16 -0.01 0.00 -1.47 0.00 0.00 33.84 33.05 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 0.96 0.44 3.43 7.63 0.00 -1.14 -5.03 105.19 111.47 1xxe n GLY 193 Ca 0.12 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.36 2.54 -0.18 0.99 1.43 -0.73 -4.77 118.68 116.62 1xxe s LEU 194 Ca 0.00 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1xxe s LEU 194 Cb 0.00 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.47 1xxe s LEU 194 CO 0.00 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1xxe n GLY 195 N -0.56 0.45 0.27 -3.19 0.00 -1.24 -3.66 105.19 97.27 1xxe n GLY 195 Ca -0.06 -0.95 0.16 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.00 -0.02 1.61 1.57 -1.21 -2.41 116.57 116.11 1xxe h LYS 196 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xxe h LYS 196 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1xxe h LYS 196 CO 0.05 0.05 -0.26 0.41 -0.57 0.00 0.00 179.45 179.13 1xxe n GLY 197 N -0.07 0.30 3.71 3.86 0.00 1.07 -4.63 105.19 109.43 1xxe n GLY 197 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.09 1.48 0.32 -0.02 0.00 0.43 -4.65 107.32 102.79 1xxe s GLY 198 Ca 0.20 1.40 0.05 0.00 0.00 0.00 0.00 44.72 46.37 1xxe s GLY 198 CO 0.42 2.73 0.20 -0.45 0.00 0.00 0.00 173.10 176.00 1xxe s SER 199 N 1.35 1.69 0.07 1.64 0.15 -1.26 -5.00 113.70 112.34 1xxe s SER 199 Ca 0.72 -1.65 0.27 0.00 0.70 0.00 0.00 55.95 55.98 1xxe s SER 199 Cb -0.45 0.49 0.84 0.00 -1.71 0.00 0.00 66.02 65.19 1xxe s SER 199 CO 0.32 -0.97 1.69 0.18 1.20 0.00 0.00 173.24 175.66 1xxe n LEU 200 N -0.63 0.41 -0.33 3.45 4.77 -1.26 -0.65 117.00 122.77 1xxe n LEU 200 Ca 0.03 0.38 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 1xxe n LEU 200 Cb 0.64 -0.35 0.28 0.00 -2.33 0.00 0.00 43.42 41.65 1xxe n LEU 200 CO 0.33 -0.03 0.57 1.17 -1.33 0.00 0.00 177.39 178.10 1xxe n LYS 201 N -1.79 0.98 0.00 3.23 4.81 -1.26 -4.25 118.16 119.88 1xxe n LYS 201 Ca 0.06 -0.66 0.00 0.00 -0.87 0.00 0.00 58.31 56.84 1xxe n LYS 201 Cb 0.38 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.94 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 -0.43 0.57 -4.00 3.14 5.03 -1.20 -4.76 115.26 113.61 1xxe n ASN 202 Ca 0.12 -0.09 -0.26 0.00 0.87 0.00 0.00 54.58 55.22 1xxe n ASN 202 Cb 0.38 0.30 -0.17 0.00 -1.02 0.00 0.00 39.78 39.27 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xxe s THR 203 N -0.41 1.17 -0.46 3.41 2.01 0.18 -3.72 115.64 117.82 1xxe s THR 203 Ca 0.00 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.29 1xxe s THR 203 Cb 0.00 -1.10 0.03 0.00 0.01 0.00 0.00 72.50 71.44 1xxe s THR 203 CO 0.00 0.37 0.95 -0.22 -0.69 0.00 0.00 174.62 175.04 1xxe s LEU 204 N 1.02 3.96 -0.17 4.42 2.96 -0.97 -4.35 118.68 125.55 1xxe s LEU 204 Ca -0.07 0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.94 1xxe s LEU 204 Cb -0.15 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 1xxe s LEU 204 CO -0.01 -1.06 0.10 -0.69 -1.32 0.00 0.00 176.35 173.37 1xxe s VAL 205 N 3.82 5.16 0.16 1.68 1.01 -1.26 0.34 120.40 131.31 1xxe s VAL 205 Ca 0.38 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.55 1xxe s VAL 205 Cb -0.10 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1xxe s VAL 205 CO 0.26 0.49 -0.13 -0.76 0.00 0.00 0.00 175.10 174.96 1xxe s LEU 206 N 0.07 2.87 0.27 3.92 1.43 -0.02 -2.25 118.68 124.97 1xxe s LEU 206 Ca 0.08 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1xxe s LEU 206 Cb -0.12 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1xxe s LEU 206 CO -0.00 0.13 0.29 -0.83 0.23 0.00 0.00 176.35 176.17 1xxe s GLY 207 N -2.57 1.45 0.61 -3.19 0.00 0.92 -2.12 107.32 102.42 1xxe s GLY 207 Ca 0.22 -1.42 0.28 0.00 0.00 0.00 0.00 44.72 43.80 1xxe s GLY 207 CO 0.13 -1.42 1.80 1.70 0.00 0.00 0.00 173.10 175.31 1xxe h LYS 208 N 1.30 0.00 0.00 2.90 3.64 -1.99 -2.98 116.57 119.44 1xxe h LYS 208 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1xxe h LYS 208 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1xxe h LYS 208 CO 0.59 0.00 -0.06 -0.40 -2.27 0.00 0.00 179.45 177.32 1xxe n ASP 209 N -3.48 0.00 -3.89 4.20 5.75 -1.26 -1.35 116.55 116.51 1xxe n ASP 209 Ca 0.08 -1.12 -0.10 0.00 -0.01 0.00 0.00 54.79 53.64 1xxe n ASP 209 Cb 0.74 -0.02 -0.09 0.00 -1.03 0.00 0.00 41.12 40.71 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 0.55 -0.21 0.11 2.20 -1.13 -4.99 119.74 116.28 1xxe s LYS 210 Ca 0.00 -0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 54.95 1xxe s LYS 210 Cb 0.00 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 1xxe s LYS 210 CO 0.00 -0.14 0.11 0.08 -0.36 0.00 0.00 175.35 175.04 1xxe s VAL 211 N -2.02 5.06 -0.06 4.02 1.01 -1.26 0.31 120.40 127.46 1xxe s VAL 211 Ca -0.10 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 1xxe s VAL 211 Cb -0.04 -3.32 -0.16 0.00 0.00 0.00 0.00 36.38 32.86 1xxe s VAL 211 CO -0.02 0.42 0.85 1.88 0.00 0.00 0.00 175.10 178.23 1xxe h TYR 212 N 7.01 -0.17 -2.69 5.22 -1.99 -1.79 -3.44 116.97 119.12 1xxe h TYR 212 Ca -0.38 -0.00 -0.57 0.00 2.00 0.00 0.00 58.73 59.77 1xxe h TYR 212 Cb 1.16 0.06 0.08 0.00 2.00 0.00 0.00 36.73 40.03 1xxe h TYR 212 CO 0.60 0.29 0.72 0.09 -0.00 0.00 0.00 178.16 179.87 1xxe n ASN 213 N -4.89 3.09 0.08 3.88 4.13 -1.25 -4.85 115.26 115.44 1xxe n ASN 213 Ca -0.08 1.13 0.11 0.00 1.68 0.00 0.00 54.58 57.42 1xxe n ASN 213 Cb 0.27 -1.46 0.44 0.00 -1.54 0.00 0.00 39.78 37.49 1xxe n ASN 213 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1xxe n PRO 214 N 2.46 0.14 0.00 3.52 -0.04 -1.26 -2.67 135.00 137.14 1xxe n PRO 214 Ca 0.12 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1xxe n PRO 214 Cb 0.32 -1.73 0.41 0.00 -0.04 0.00 0.00 33.50 32.46 1xxe n PRO 214 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xxe n GLU 215 N -1.99 0.33 0.00 0.54 4.07 -1.26 -5.04 120.64 117.28 1xxe n GLU 215 Ca 0.03 -0.16 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1xxe n GLU 215 Cb 0.26 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 1xxe n GLU 215 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xxe n GLY 216 N 1.42 -1.24 3.78 8.31 0.00 -1.09 -4.77 105.19 111.60 1xxe n GLY 216 Ca 0.09 -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 4.27 0.42 0.99 1.43 -1.26 -4.93 118.68 119.59 1xxe s LEU 217 Ca 0.00 2.06 0.22 0.00 -1.03 0.00 0.00 54.13 55.38 1xxe s LEU 217 Cb 0.00 -4.02 0.31 0.00 0.03 0.00 0.00 46.19 42.50 1xxe s LEU 217 CO 0.00 -0.35 1.59 -0.09 0.23 0.00 0.00 176.35 177.73 1xxe h ARG 218 N 2.92 0.00 -3.42 1.70 1.12 -1.97 -3.46 114.38 111.27 1xxe h ARG 218 Ca -0.48 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.29 1xxe h ARG 218 Cb 1.21 0.00 -0.17 0.00 -0.01 0.00 0.00 29.97 31.00 1xxe h ARG 218 CO 0.64 0.08 -0.31 0.71 -3.11 0.00 0.00 179.97 177.98 1xxe s TYR 219 N -3.18 -0.03 -0.45 2.20 2.02 -1.26 -4.94 117.35 111.71 1xxe s TYR 219 Ca 0.06 -0.14 0.12 0.00 -0.37 0.00 0.00 57.07 56.75 1xxe s TYR 219 Cb 0.05 0.04 0.68 0.00 -0.40 0.00 0.00 41.96 42.33 1xxe s TYR 219 CO 0.68 -0.47 1.36 -1.91 -1.57 0.00 0.00 175.55 173.63 1xxe n GLU 220 N 0.62 0.08 -2.34 -0.62 2.13 -1.26 -1.80 120.64 117.44 1xxe n GLU 220 Ca -0.19 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1xxe n GLU 220 Cb 0.59 -1.81 0.04 0.00 0.27 0.00 0.00 31.44 30.53 1xxe n GLU 220 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1xxe n ASN 221 N -1.93 0.88 -0.09 4.31 3.02 -1.26 -4.92 115.26 115.26 1xxe n ASN 221 Ca -0.01 -2.04 0.03 0.00 -0.03 0.00 0.00 54.58 52.53 1xxe n ASN 221 Cb 0.06 -0.24 0.36 0.00 -0.61 0.00 0.00 39.78 39.35 1xxe n ASN 221 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1xxe h GLU 222 N 1.81 0.72 -0.12 3.52 4.22 -1.72 -0.17 114.58 122.84 1xxe h GLU 222 Ca -0.23 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.10 1xxe h GLU 222 Cb 1.45 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1xxe h GLU 222 CO 0.08 0.47 -0.19 -1.35 -2.18 0.00 0.00 179.01 175.84 1xxe h PRO 223 N 0.74 0.34 0.00 0.92 0.11 -1.89 -1.99 132.00 130.24 1xxe h PRO 223 Ca 0.21 -0.21 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1xxe h PRO 223 Cb -0.06 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1xxe h PRO 223 CO -0.05 0.79 -0.18 -0.39 -0.21 0.00 0.00 178.00 177.96 1xxe h VAL 224 N -0.07 0.39 -0.36 3.15 -1.51 -1.93 -2.65 116.25 113.28 1xxe h VAL 224 Ca 0.01 -1.14 -0.15 0.00 -1.23 0.00 0.00 66.70 64.19 1xxe h VAL 224 Cb 0.76 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 1xxe h VAL 224 CO 0.04 0.18 -0.37 0.03 -1.23 0.00 0.00 177.57 176.22 1xxe h ARG 225 N 0.00 0.88 -0.51 5.19 3.08 -0.93 -2.36 114.38 119.74 1xxe h ARG 225 Ca -0.00 -0.47 -0.05 0.00 0.07 0.00 0.00 59.98 59.53 1xxe h ARG 225 Cb 0.83 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1xxe h ARG 225 CO 0.02 1.12 0.13 1.25 -1.07 0.00 0.00 179.97 181.42 1xxe h HIS 226 N 0.69 0.86 -0.54 3.04 2.76 -1.09 -0.45 115.15 120.42 1xxe h HIS 226 Ca 0.05 -0.10 0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1xxe h HIS 226 Cb 0.96 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.63 1xxe h HIS 226 CO 0.07 0.76 0.26 -0.22 -1.30 0.00 0.00 177.93 177.49 1xxe h LYS 227 N 0.71 0.48 -0.45 5.26 1.63 -1.34 0.15 116.57 123.01 1xxe h LYS 227 Ca 0.16 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1xxe h LYS 227 Cb 0.33 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1xxe h LYS 227 CO 0.00 0.32 0.25 0.28 -3.45 0.00 0.00 179.45 176.85 1xxe h VAL 228 N 0.49 1.16 -0.88 2.00 2.07 -1.04 0.35 116.25 120.40 1xxe h VAL 228 Ca 0.25 -0.39 0.15 0.00 0.82 0.00 0.00 66.70 67.53 1xxe h VAL 228 Cb 0.19 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 1xxe h VAL 228 CO -0.19 0.16 0.57 0.15 0.02 0.00 0.00 177.57 178.28 1xxe h PHE 229 N 0.59 0.76 -0.06 1.57 3.57 0.18 -0.35 116.94 123.20 1xxe h PHE 229 Ca 0.16 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.43 1xxe h PHE 229 Cb 0.04 -0.24 0.02 0.00 2.79 0.00 0.00 35.95 38.56 1xxe h PHE 229 CO -0.02 0.27 -0.95 -0.44 -2.23 0.00 0.00 178.31 174.94 1xxe h ASP 230 N 0.63 0.93 -0.86 0.41 5.19 0.13 -2.51 116.42 120.34 1xxe h ASP 230 Ca 0.45 -0.70 0.09 0.00 -0.62 0.00 0.00 57.03 56.25 1xxe h ASP 230 Cb 0.79 -0.28 -0.06 0.00 0.18 0.00 0.00 39.33 39.96 1xxe h ASP 230 CO -0.20 1.50 0.56 0.25 -3.12 0.00 0.00 179.24 178.23 1xxe h LEU 231 N 0.45 0.78 -0.03 1.55 5.85 0.73 -0.60 115.31 124.03 1xxe h LEU 231 Ca -0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1xxe h LEU 231 Cb 1.59 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1xxe h LEU 231 CO 0.19 0.47 -0.07 0.40 -0.34 0.00 0.00 178.44 179.09 1xxe h ILE 232 N 0.86 1.44 -0.95 4.05 2.04 -1.35 -1.94 117.51 121.67 1xxe h ILE 232 Ca 0.39 -1.41 0.26 0.00 1.00 0.00 0.00 64.86 65.10 1xxe h ILE 232 Cb 0.38 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 1xxe h ILE 232 CO -0.16 0.38 0.66 1.23 0.00 0.00 0.00 178.15 180.26 1xxe h GLY 233 N -0.43 0.34 1.70 5.37 0.00 -0.87 0.55 103.07 109.73 1xxe h GLY 233 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 1xxe h GLY 233 CO 0.02 -0.02 -0.90 -0.55 0.00 0.00 0.00 176.54 175.09 1xxe h ASP 234 N 0.14 0.00 1.59 0.19 5.19 -0.95 -3.28 116.42 119.30 1xxe h ASP 234 Ca 0.47 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.81 1xxe h ASP 234 Cb 1.64 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.14 1xxe h ASP 234 CO -0.08 0.66 -0.35 -0.07 -3.12 0.00 0.00 179.24 176.29 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.81 -3.04 115.31 118.01 1xxe h LEU 235 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 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 0.08 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1xxe n TYR 236 N -3.20 0.00 -0.02 1.13 9.36 -0.16 -2.72 117.16 121.54 1xxe n TYR 236 Ca 0.02 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.47 1xxe n TYR 236 Cb 0.66 -0.32 0.72 0.00 -0.63 0.00 0.00 39.34 39.77 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 -2.20 2.98 3.38 -1.69 0.96 115.31 118.74 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 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xxe h LEU 237 CO 0.00 0.00 0.08 -0.07 0.09 0.00 0.00 178.44 178.54 1xxe h LEU 238 N 0.00 0.00 0.00 1.67 3.38 -1.79 -3.22 115.31 115.35 1xxe h LEU 238 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1xxe h LEU 238 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xxe h LEU 238 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1xxe n GLY 239 N -1.18 0.56 3.42 0.83 0.00 0.33 -5.01 105.19 104.13 1xxe n GLY 239 Ca -0.02 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.39 -0.48 0.25 1.61 1.04 -1.25 -4.90 113.70 107.57 1xxe s SER 240 Ca 0.00 0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.57 1xxe s SER 240 Cb 0.00 0.46 -0.14 0.00 0.10 0.00 0.00 66.02 66.45 1xxe s SER 240 CO 0.00 -0.58 1.27 -0.81 0.98 0.00 0.00 173.24 174.10 1xxe n PRO 241 N 0.94 1.76 -4.01 4.02 -0.04 -1.26 -4.68 135.00 131.73 1xxe n PRO 241 Ca -0.20 0.62 -0.36 0.00 -0.04 0.00 0.00 63.50 63.53 1xxe n PRO 241 Cb 0.57 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.77 1xxe n PRO 241 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xxe s VAL 242 N -0.43 5.11 -0.09 0.52 1.01 -1.26 -0.55 120.40 124.71 1xxe s VAL 242 Ca 0.65 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.72 1xxe s VAL 242 Cb -0.68 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1xxe s VAL 242 CO 0.54 0.58 -0.16 -0.54 0.00 0.00 0.00 175.10 175.53 1xxe s LYS 243 N -0.72 2.17 0.00 2.72 1.02 0.18 -4.59 119.74 120.52 1xxe s LYS 243 Ca 0.13 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1xxe s LYS 243 Cb -0.12 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1xxe s LYS 243 CO 0.03 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1xxe n GLY 244 N 3.88 0.55 3.33 -3.33 0.00 -0.97 -1.66 105.19 106.99 1xxe n GLY 244 Ca -0.21 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.89 2.72 0.09 1.61 2.20 0.10 -0.94 119.74 123.64 1xxe s LYS 245 Ca 0.00 -1.15 0.06 0.00 -0.36 0.00 0.00 55.97 54.52 1xxe s LYS 245 Cb 0.00 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1xxe s LYS 245 CO 0.00 -0.71 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.16 1xxe s PHE 246 N 1.49 2.83 0.03 4.03 0.40 0.57 -0.58 117.98 126.76 1xxe s PHE 246 Ca 0.01 -0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.30 1xxe s PHE 246 Cb -0.20 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.83 1xxe s PHE 246 CO 0.05 0.44 -0.19 -0.47 0.70 0.00 0.00 175.22 175.75 1xxe s TYR 247 N -1.22 1.63 -0.05 0.36 6.14 0.59 -0.66 117.35 124.14 1xxe s TYR 247 Ca 0.22 -0.36 -0.00 0.00 0.64 0.00 0.00 57.07 57.57 1xxe s TYR 247 Cb -0.11 -0.98 0.03 0.00 0.42 0.00 0.00 41.96 41.31 1xxe s TYR 247 CO 0.14 0.06 -0.00 -1.54 0.64 0.00 0.00 175.55 174.85 1xxe s SER 248 N -1.06 0.98 -0.30 4.32 1.04 0.38 -1.33 113.70 117.74 1xxe s SER 248 Ca 0.06 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 1xxe s SER 248 Cb -0.08 -0.33 0.04 0.00 0.10 0.00 0.00 66.02 65.74 1xxe s SER 248 CO 0.01 -0.14 0.02 0.12 0.98 0.00 0.00 173.24 174.24 1xxe s PHE 249 N 1.43 3.20 -1.25 5.02 5.36 -0.09 0.38 117.98 132.03 1xxe s PHE 249 Ca -0.04 -1.57 -0.16 0.00 -0.96 0.00 0.00 56.93 54.20 1xxe s PHE 249 Cb -0.13 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1xxe s PHE 249 CO -0.03 -0.74 0.63 0.54 -1.46 0.00 0.00 175.22 174.17 1xxe n ARG 250 N 4.71 -1.69 -3.21 10.12 1.74 -0.51 -2.08 116.66 125.73 1xxe n ARG 250 Ca -0.14 0.37 -0.33 0.00 -0.77 0.00 0.00 57.85 56.98 1xxe n ARG 250 Cb 0.45 -3.97 -0.06 0.00 -1.02 0.00 0.00 32.46 27.86 1xxe n ARG 250 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xxe s GLY 251 N -3.79 2.35 0.24 -0.13 0.00 -1.26 -4.13 107.32 100.61 1xxe s GLY 251 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1xxe s GLY 251 CO 0.89 0.17 0.01 0.61 0.00 0.00 0.00 173.10 174.78 1xxe n GLY 252 N -0.16 3.85 0.18 0.20 0.00 -1.26 -5.01 105.19 102.98 1xxe n GLY 252 Ca 0.02 -2.29 -0.17 0.00 0.00 0.00 0.00 46.02 43.58 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 1.10 0.82 -0.37 1.61 3.86 -1.96 -2.33 115.15 117.88 1xxe h HIS 253 Ca -0.20 -0.39 -0.05 0.00 -1.16 0.00 0.00 60.37 58.56 1xxe h HIS 253 Cb 0.61 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1xxe h HIS 253 CO 0.00 1.20 0.00 1.03 0.86 0.00 0.00 177.93 181.03 1xxe h SER 254 N 0.20 0.54 -0.13 2.45 0.87 -1.89 -1.57 113.55 114.02 1xxe h SER 254 Ca -0.06 -0.11 -0.21 0.00 -1.23 0.00 0.00 61.79 60.18 1xxe h SER 254 Cb 1.34 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1xxe h SER 254 CO 0.14 0.61 -0.70 0.25 -0.53 0.00 0.00 176.83 176.59 1xxe h LEU 255 N 0.55 0.89 0.06 2.23 5.85 -1.96 -2.67 115.31 120.26 1xxe h LEU 255 Ca 0.12 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1xxe h LEU 255 Cb 0.35 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1xxe h LEU 255 CO 0.01 1.34 -0.03 0.78 -0.34 0.00 0.00 178.44 180.20 1xxe h ASN 256 N 0.55 -0.07 -0.62 1.25 2.35 -1.03 -1.88 115.58 116.12 1xxe h ASN 256 Ca -0.03 -0.03 0.10 0.00 -0.55 0.00 0.00 56.30 55.80 1xxe h ASN 256 Cb 1.32 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 39.63 1xxe h ASN 256 CO 0.14 -0.02 0.22 0.58 -1.65 0.00 0.00 177.43 176.70 1xxe h VAL 257 N -0.11 0.74 -0.32 2.81 2.07 -1.30 -0.92 116.25 119.21 1xxe h VAL 257 Ca -0.01 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1xxe h VAL 257 Cb 0.09 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 1xxe h VAL 257 CO 0.01 0.07 0.02 0.50 0.02 0.00 0.00 177.57 178.19 1xxe h LYS 258 N 0.39 0.11 -0.77 1.57 3.64 -1.08 0.46 116.57 120.89 1xxe h LYS 258 Ca 0.32 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.82 1xxe h LYS 258 Cb 0.42 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 1xxe h LYS 258 CO -0.33 0.08 0.35 1.25 -2.27 0.00 0.00 179.45 178.53 1xxe h LEU 259 N 0.12 0.40 -0.35 5.20 5.85 -0.40 0.54 115.31 126.67 1xxe h LEU 259 Ca 0.15 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.81 1xxe h LEU 259 Cb 0.20 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1xxe h LEU 259 CO -0.24 0.18 -0.38 0.58 -0.34 0.00 0.00 178.44 178.24 1xxe h VAL 260 N 0.54 1.28 -0.01 1.05 2.07 -0.33 -0.82 116.25 120.02 1xxe h VAL 260 Ca 0.41 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1xxe h VAL 260 Cb 0.56 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1xxe h VAL 260 CO -0.35 0.51 -0.01 0.11 0.02 0.00 0.00 177.57 177.85 1xxe h LYS 261 N 0.67 -0.02 -0.27 1.57 1.57 0.14 0.48 116.57 120.71 1xxe h LYS 261 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1xxe h LYS 261 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1xxe h LYS 261 CO 0.09 -0.01 -0.18 0.93 -0.57 0.00 0.00 179.45 179.71 1xxe h GLU 262 N -0.02 0.60 -0.24 3.15 4.39 -0.98 -2.03 114.58 119.46 1xxe h GLU 262 Ca 0.01 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.46 1xxe h GLU 262 Cb 0.03 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1xxe h GLU 262 CO -0.02 0.87 0.05 -0.07 -1.16 0.00 0.00 179.01 178.68 1xxe h LEU 263 N 0.32 0.02 -0.67 1.33 3.38 -0.94 0.51 115.31 119.27 1xxe h LEU 263 Ca 0.05 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1xxe h LEU 263 Cb 0.72 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 1xxe h LEU 263 CO 0.05 0.04 0.35 0.00 0.09 0.00 0.00 178.44 178.97 1xxe h ALA 264 N 1.17 0.90 -0.09 1.53 0.00 0.06 0.75 119.26 123.58 1xxe h ALA 264 Ca 0.11 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1xxe h ALA 264 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xxe h ALA 264 CO -0.14 -0.01 -0.66 0.87 0.00 0.00 0.00 179.25 179.31 1xxe h LYS 265 N 0.62 0.35 -0.74 0.00 1.57 -0.60 -3.08 116.57 114.69 1xxe h LYS 265 Ca 0.31 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1xxe h LYS 265 Cb 0.26 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1xxe h LYS 265 CO -0.22 0.88 0.33 0.87 -0.57 0.00 0.00 179.45 180.74 1xxe h LYS 266 N 0.25 1.08 -1.00 3.15 1.57 0.11 -2.77 116.57 118.96 1xxe h LYS 266 Ca -0.02 -0.18 0.41 0.00 -1.87 0.00 0.00 60.65 59.00 1xxe h LYS 266 Cb 1.20 -0.19 -0.18 0.00 0.08 0.00 0.00 32.23 33.15 1xxe h LYS 266 CO 0.11 0.86 0.53 0.37 -0.57 0.00 0.00 179.45 180.75 1xxe h GLN 267 N 1.05 0.02 -0.86 3.15 -0.00 -0.80 1.01 115.11 118.68 1xxe h GLN 267 Ca 0.25 -0.00 -0.43 0.00 -0.00 0.00 0.00 58.65 58.47 1xxe h GLN 267 Cb 0.16 -0.00 -0.26 0.00 0.00 0.00 0.00 27.48 27.38 1xxe h GLN 267 CO -0.03 0.01 0.49 1.17 0.00 0.00 0.00 178.83 180.48 1xxe n LYS 268 N -5.25 2.33 -0.91 1.69 4.81 -1.05 -4.42 118.16 115.37 1xxe n LYS 268 Ca 0.37 -3.05 -0.07 0.00 -0.87 0.00 0.00 58.31 54.70 1xxe n LYS 268 Cb 1.26 -2.12 0.25 0.00 0.02 0.00 0.00 35.03 34.43 1xxe n LYS 268 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1xxe n LEU 269 N -1.04 5.33 -0.65 3.14 4.77 0.35 -5.13 117.00 123.78 1xxe n LEU 269 Ca 0.53 -3.42 0.13 0.00 -0.03 0.00 0.00 56.01 53.23 1xxe n LEU 269 Cb 1.54 -0.70 0.38 0.00 -2.33 0.00 0.00 43.42 42.30 1xxe n LEU 269 CO 0.52 0.96 0.79 0.41 -1.33 0.00 0.00 177.39 178.73