#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 0.62 -5.23 3.23 -0.58 0.36 -4.60 120.64 114.44 1xxe n GLU 4 Ca 0.00 0.22 -0.30 0.00 -0.42 0.00 0.00 57.16 56.66 1xxe n GLU 4 Cb 0.00 -1.42 -0.16 0.00 -0.57 0.00 0.00 31.44 29.29 1xxe n GLU 4 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1xxe s LYS 5 N -1.33 2.03 0.31 3.49 2.20 -1.26 0.13 119.74 125.31 1xxe s LYS 5 Ca 0.62 -0.88 0.05 0.00 -0.36 0.00 0.00 55.97 55.40 1xxe s LYS 5 Cb -0.76 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 1xxe s LYS 5 CO 0.58 0.52 0.29 -0.08 -0.36 0.00 0.00 175.35 176.30 1xxe s THR 6 N -0.54 0.00 0.04 3.43 -1.32 -0.69 -1.94 115.64 114.61 1xxe s THR 6 Ca 0.08 -1.94 -0.23 0.00 -1.21 0.00 0.00 61.69 58.39 1xxe s THR 6 Cb -0.10 -2.52 -0.06 0.00 -1.51 0.00 0.00 72.50 68.32 1xxe s THR 6 CO -0.01 0.00 0.70 0.68 -2.21 0.00 0.00 174.62 173.78 1xxe s VAL 7 N -3.49 4.77 0.10 5.08 -7.23 -1.26 0.86 120.40 119.23 1xxe s VAL 7 Ca 0.39 1.49 -0.18 0.00 -1.81 0.00 0.00 61.98 61.87 1xxe s VAL 7 Cb 0.03 -4.05 -0.06 0.00 0.56 0.00 0.00 36.38 32.86 1xxe s VAL 7 CO 0.24 0.40 1.56 0.50 -0.31 0.00 0.00 175.10 177.49 1xxe h LYS 8 N 5.54 0.50 -5.42 4.82 3.64 0.01 -3.41 116.57 122.24 1xxe h LYS 8 Ca -0.45 -0.15 -0.41 0.00 -1.27 0.00 0.00 60.65 58.37 1xxe h LYS 8 Cb 1.20 -0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.81 1xxe h LYS 8 CO 0.70 0.62 -0.74 -1.21 -2.27 0.00 0.00 179.45 176.55 1xxe s GLU 9 N -5.09 1.14 0.23 1.90 2.02 -1.26 -4.97 118.70 112.67 1xxe s GLU 9 Ca -0.13 -1.40 -0.30 0.00 0.02 0.00 0.00 54.97 53.15 1xxe s GLU 9 Cb 0.08 -0.94 -0.10 0.00 0.10 0.00 0.00 34.13 33.27 1xxe s GLU 9 CO 0.75 0.16 1.49 0.21 0.02 0.00 0.00 175.26 177.90 1xxe s LYS 10 N -3.19 4.23 0.28 1.61 2.36 -1.26 -4.84 119.74 118.93 1xxe s LYS 10 Ca 0.15 2.35 0.11 0.00 -2.55 0.00 0.00 55.97 56.04 1xxe s LYS 10 Cb -0.02 -3.11 -0.05 0.00 -1.05 0.00 0.00 37.83 33.60 1xxe s LYS 10 CO 0.04 -0.50 -0.15 -0.51 1.55 0.00 0.00 175.35 175.78 1xxe s LEU 11 N 0.02 2.75 -0.03 5.43 1.43 -0.73 -4.96 118.68 122.59 1xxe s LEU 11 Ca 0.63 -0.94 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 1xxe s LEU 11 Cb -0.43 -1.25 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1xxe s LEU 11 CO 0.41 0.02 0.61 -0.94 0.23 0.00 0.00 176.35 176.68 1xxe s SER 12 N -3.55 -0.57 0.34 2.29 1.04 -1.26 -0.41 113.70 111.58 1xxe s SER 12 Ca 0.30 0.57 0.03 0.00 0.48 0.00 0.00 55.95 57.34 1xxe s SER 12 Cb -0.05 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1xxe s SER 12 CO 0.16 -0.60 0.13 -0.36 0.98 0.00 0.00 173.24 173.56 1xxe s PHE 13 N -1.33 1.73 -0.15 5.02 0.40 -0.37 -4.95 117.98 118.33 1xxe s PHE 13 Ca -0.11 -1.27 -0.11 0.00 -0.60 0.00 0.00 56.93 54.84 1xxe s PHE 13 Cb -0.01 -1.04 0.05 0.00 0.51 0.00 0.00 43.02 42.53 1xxe s PHE 13 CO 0.08 -0.35 0.38 -1.83 0.70 0.00 0.00 175.22 174.19 1xxe s GLU 14 N -3.79 0.40 0.00 0.44 1.03 -1.26 -1.96 118.70 113.55 1xxe s GLU 14 Ca 0.32 0.62 0.00 0.00 0.03 0.00 0.00 54.97 55.93 1xxe s GLU 14 Cb 0.05 0.10 0.00 0.00 -0.80 0.00 0.00 34.13 33.48 1xxe s GLU 14 CO 0.16 -0.10 0.00 0.41 -1.33 0.00 0.00 175.26 174.40 1xxe n GLY 15 N 3.50 1.55 3.77 -3.83 0.00 -0.53 -4.94 105.19 104.71 1xxe n GLY 15 Ca -0.18 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 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 4.20 0.37 1.61 0.11 -1.26 -1.72 120.40 121.71 1xxe s VAL 16 Ca 0.00 1.88 -0.26 0.00 -2.93 0.00 0.00 61.98 60.67 1xxe s VAL 16 Cb 0.00 -4.15 -0.09 0.00 -1.53 0.00 0.00 36.38 30.61 1xxe s VAL 16 CO 0.00 0.34 1.19 -0.83 -3.33 0.00 0.00 175.10 172.47 1xxe s GLY 17 N -1.38 2.91 0.12 6.54 0.00 -0.75 -2.69 107.32 112.08 1xxe s GLY 17 Ca 0.44 1.01 -0.20 0.00 0.00 0.00 0.00 44.72 45.98 1xxe s GLY 17 CO 0.27 1.56 1.77 1.19 0.00 0.00 0.00 173.10 177.90 1xxe h ILE 18 N 2.53 1.05 0.14 0.90 2.10 -1.84 -0.93 117.51 121.46 1xxe h ILE 18 Ca -0.49 -0.10 -0.34 0.00 1.08 0.00 0.00 64.86 65.02 1xxe h ILE 18 Cb 1.23 0.76 -0.01 0.00 -1.09 0.00 0.00 36.82 37.72 1xxe h ILE 18 CO 0.63 0.05 -1.76 0.45 -1.08 0.00 0.00 178.15 176.45 1xxe h HIS 19 N 0.27 0.52 -0.25 2.19 3.86 -1.90 2.82 115.15 122.66 1xxe h HIS 19 Ca 0.07 -0.38 -0.11 0.00 -1.16 0.00 0.00 60.37 58.79 1xxe h HIS 19 Cb -0.03 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1xxe h HIS 19 CO -0.06 1.57 -0.30 1.79 0.86 0.00 0.00 177.93 181.78 1xxe h THR 20 N 0.08 1.28 -0.76 2.45 1.35 -1.93 -2.23 112.91 113.15 1xxe h THR 20 Ca -0.33 -1.38 -0.28 0.00 -0.55 0.00 0.00 66.41 63.86 1xxe h THR 20 Cb 2.05 1.42 -0.10 0.00 -1.73 0.00 0.00 68.15 69.79 1xxe h THR 20 CO 0.14 0.44 -0.26 0.61 -0.25 0.00 0.00 175.52 176.20 1xxe n GLY 21 N -0.24 1.28 3.46 5.82 0.00 -0.35 -4.66 105.19 110.49 1xxe n GLY 21 Ca -0.01 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.29 1.64 0.33 1.61 2.12 -1.26 -4.82 118.70 115.02 1xxe s GLU 22 Ca 0.00 -1.50 -0.29 0.00 0.36 0.00 0.00 54.97 53.54 1xxe s GLU 22 Cb 0.00 -1.90 -0.10 0.00 0.26 0.00 0.00 34.13 32.39 1xxe s GLU 22 CO 0.00 0.40 1.26 -0.47 -0.54 0.00 0.00 175.26 175.91 1xxe s TYR 23 N -1.76 3.14 0.06 5.30 6.14 -1.26 -1.81 117.35 127.17 1xxe s TYR 23 Ca 0.22 1.47 -0.10 0.00 0.64 0.00 0.00 57.07 59.31 1xxe s TYR 23 Cb -0.08 -3.60 0.00 0.00 0.42 0.00 0.00 41.96 38.71 1xxe s TYR 23 CO 0.11 -1.60 0.21 0.45 0.64 0.00 0.00 175.55 175.37 1xxe s SER 24 N -0.59 0.04 0.22 4.32 0.15 -0.70 -4.85 113.70 112.29 1xxe s SER 24 Ca 0.48 -0.46 0.06 0.00 0.70 0.00 0.00 55.95 56.74 1xxe s SER 24 Cb -0.38 0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 64.20 1xxe s SER 24 CO 0.50 -0.64 -0.10 -0.75 1.20 0.00 0.00 173.24 173.45 1xxe s LYS 25 N -3.13 1.35 0.02 5.44 2.20 -0.82 -1.45 119.74 123.35 1xxe s LYS 25 Ca -0.01 -1.63 0.04 0.00 -0.36 0.00 0.00 55.97 54.01 1xxe s LYS 25 Cb 0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 37.83 35.32 1xxe s LYS 25 CO -0.07 0.10 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.38 1xxe s LEU 26 N -3.33 2.12 -0.04 5.43 1.43 -0.83 -1.35 118.68 122.10 1xxe s LEU 26 Ca 0.24 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1xxe s LEU 26 Cb 0.02 -0.57 0.03 0.00 0.03 0.00 0.00 46.19 45.70 1xxe s LEU 26 CO 0.08 0.06 0.08 -0.63 0.23 0.00 0.00 176.35 176.17 1xxe s ILE 27 N -0.64 -0.09 -0.17 -0.59 1.01 -0.68 -1.24 121.20 118.80 1xxe s ILE 27 Ca 0.02 0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 1xxe s ILE 27 Cb -0.07 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1xxe s ILE 27 CO 0.01 0.11 -0.10 -0.63 0.00 0.00 0.00 174.94 174.33 1xxe s ILE 28 N 1.42 3.14 0.02 2.92 1.01 0.46 0.52 121.20 130.69 1xxe s ILE 28 Ca -0.05 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1xxe s ILE 28 Cb -0.12 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 1xxe s ILE 28 CO -0.04 0.48 -0.24 -1.00 0.00 0.00 0.00 174.94 174.14 1xxe s HIS 29 N 0.89 2.16 0.95 3.97 3.76 -0.59 -1.77 115.29 124.66 1xxe s HIS 29 Ca -0.02 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.36 1xxe s HIS 29 Cb -0.15 -1.33 0.06 0.00 1.11 0.00 0.00 32.58 32.27 1xxe s HIS 29 CO 0.00 0.05 0.55 -2.30 -0.85 0.00 0.00 174.74 172.19 1xxe n PRO 30 N 2.07 -0.34 -4.12 8.40 -0.02 -1.26 -1.50 135.00 138.24 1xxe n PRO 30 Ca -0.16 -0.05 -0.21 0.00 -2.02 0.00 0.00 63.50 61.06 1xxe n PRO 30 Cb 0.52 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.98 1xxe n PRO 30 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xxe n GLU 31 N -2.20 0.50 -3.05 -0.52 1.02 -1.25 -4.59 120.64 110.55 1xxe n GLU 31 Ca 0.08 -3.09 -0.32 0.00 -0.02 0.00 0.00 57.16 53.81 1xxe n GLU 31 Cb 0.53 2.05 -0.05 0.00 -0.02 0.00 0.00 31.44 33.95 1xxe n GLU 31 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1xxe s LYS 32 N -3.33 3.93 0.50 3.49 2.20 -1.26 -4.93 119.74 120.33 1xxe s LYS 32 Ca 0.26 0.61 -0.21 0.00 -0.36 0.00 0.00 55.97 56.28 1xxe s LYS 32 Cb 0.01 -2.42 -0.10 0.00 -1.51 0.00 0.00 37.83 33.82 1xxe s LYS 32 CO 0.19 0.10 0.69 0.39 -0.36 0.00 0.00 175.35 176.35 1xxe n GLU 33 N -0.65 0.76 -1.73 4.03 4.71 -1.26 -1.58 120.64 124.92 1xxe n GLU 33 Ca 0.03 0.28 -0.20 0.00 -0.01 0.00 0.00 57.16 57.26 1xxe n GLU 33 Cb 0.53 -1.78 -0.07 0.00 -1.01 0.00 0.00 31.44 29.12 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 1.59 1.50 0.10 0.62 0.00 -1.26 -4.87 105.19 102.87 1xxe n GLY 34 Ca 0.11 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 1.52 0.00 2.61 2.02 -1.66 -3.51 112.91 113.90 1xxe h THR 35 Ca -0.43 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.31 1xxe h THR 35 Cb 1.32 3.16 0.00 0.00 -1.74 0.00 0.00 68.15 70.90 1xxe h THR 35 CO 0.60 0.66 0.00 0.61 0.37 0.00 0.00 175.52 177.76 1xxe n GLY 36 N 1.65 -1.17 3.62 2.16 0.00 -1.26 -4.93 105.19 105.24 1xxe n GLY 36 Ca -0.15 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 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 5.09 -0.04 -0.61 -1.09 -1.18 -2.33 121.20 121.04 1xxe s ILE 37 Ca 0.00 0.09 -0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1xxe s ILE 37 Cb 0.00 -3.37 0.01 0.00 -1.58 0.00 0.00 42.46 37.53 1xxe s ILE 37 CO 0.00 0.36 0.11 0.00 -1.23 0.00 0.00 174.94 174.18 1xxe s ARG 38 N 1.09 0.13 0.19 2.79 1.70 -1.07 -2.21 118.95 121.57 1xxe s ARG 38 Ca 0.06 0.17 -0.01 0.00 -0.47 0.00 0.00 55.73 55.49 1xxe s ARG 38 Cb -0.14 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.25 1xxe s ARG 38 CO 0.04 -0.02 0.38 -0.06 -1.08 0.00 0.00 175.30 174.56 1xxe s PHE 39 N 0.11 3.48 -0.01 5.89 0.08 -0.70 -1.77 117.98 125.06 1xxe s PHE 39 Ca -0.00 0.32 0.04 0.00 0.12 0.00 0.00 56.93 57.41 1xxe s PHE 39 Cb -0.01 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 1xxe s PHE 39 CO -0.00 0.40 -0.14 0.12 -0.10 0.00 0.00 175.22 175.50 1xxe s PHE 40 N -1.84 1.23 -0.28 0.36 2.19 -0.77 0.38 117.98 119.25 1xxe s PHE 40 Ca 0.38 -0.23 -0.23 0.00 0.33 0.00 0.00 56.93 57.18 1xxe s PHE 40 Cb -0.11 -0.79 0.13 0.00 -1.31 0.00 0.00 43.02 40.93 1xxe s PHE 40 CO 0.29 -0.02 1.01 0.21 1.83 0.00 0.00 175.22 178.54 1xxe s LYS 41 N -0.32 0.48 -1.76 10.12 2.20 -0.41 -1.36 119.74 128.71 1xxe s LYS 41 Ca 0.05 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1xxe s LYS 41 Cb -0.05 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1xxe s LYS 41 CO -0.01 -0.07 0.00 0.09 -0.36 0.00 0.00 175.35 175.01 1xxe n ASN 42 N 2.56 -5.71 -1.02 1.43 3.02 -1.26 -1.14 115.26 113.15 1xxe n ASN 42 Ca -0.14 0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 1xxe n ASN 42 Cb 0.56 -4.78 -0.01 0.00 -0.61 0.00 0.00 39.78 34.94 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xxe n GLY 43 N -0.95 0.16 2.98 7.41 0.00 -1.26 -5.02 105.19 108.53 1xxe n GLY 43 Ca -0.24 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.45 0.60 0.07 1.61 1.01 -0.29 -5.14 120.40 115.81 1xxe s VAL 44 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 1xxe s VAL 44 Cb 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 36.38 35.80 1xxe s VAL 44 CO 0.00 0.18 0.47 -0.31 0.00 0.00 0.00 175.10 175.44 1xxe s TYR 45 N -0.00 3.68 -0.33 5.22 2.02 -1.26 -1.28 117.35 125.39 1xxe s TYR 45 Ca 0.00 1.00 -0.01 0.00 -0.37 0.00 0.00 57.07 57.70 1xxe s TYR 45 Cb -0.05 -2.31 0.12 0.00 -0.40 0.00 0.00 41.96 39.32 1xxe s TYR 45 CO -0.00 0.55 0.17 0.42 -1.57 0.00 0.00 175.55 175.12 1xxe s ILE 46 N -1.26 0.34 0.42 2.71 1.01 0.16 -4.95 121.20 119.63 1xxe s ILE 46 Ca 0.30 -1.43 -0.23 0.00 0.00 0.00 0.00 60.65 59.30 1xxe s ILE 46 Cb -0.16 -1.26 -0.12 0.00 0.01 0.00 0.00 42.46 40.93 1xxe s ILE 46 CO 0.17 -0.84 0.70 -2.65 0.00 0.00 0.00 174.94 172.32 1xxe n PRO 47 N 4.54 0.79 -3.10 2.79 -0.02 -1.26 -1.72 135.00 137.02 1xxe n PRO 47 Ca 0.03 0.29 -0.45 0.00 -2.02 0.00 0.00 63.50 61.35 1xxe n PRO 47 Cb 0.39 -1.67 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 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 4.02 0.04 3.55 0.00 -0.94 -4.80 121.76 122.24 1xxe s ALA 48 Ca 0.64 -3.31 -0.02 0.00 0.00 0.00 0.00 51.96 49.26 1xxe s ALA 48 Cb -0.60 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 18.63 1xxe s ALA 48 CO 0.57 -2.61 0.01 1.03 0.00 0.00 0.00 175.76 174.76 1xxe s ARG 49 N 0.96 0.56 0.16 0.00 0.52 -1.26 -4.33 118.95 115.56 1xxe s ARG 49 Ca 0.33 -0.99 -0.18 0.00 -0.52 0.00 0.00 55.73 54.37 1xxe s ARG 49 Cb -0.06 0.20 0.06 0.00 0.52 0.00 0.00 34.95 35.67 1xxe s ARG 49 CO -0.06 -0.12 1.67 1.12 0.02 0.00 0.00 175.30 177.94 1xxe h HIS 50 N 3.52 -0.20 0.00 -0.53 2.07 -1.94 0.22 115.15 118.28 1xxe h HIS 50 Ca -0.33 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1xxe h HIS 50 Cb 1.17 0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.29 1xxe h HIS 50 CO 0.55 -0.16 0.53 0.93 -3.07 0.00 0.00 177.93 176.72 1xxe h GLU 51 N -0.01 0.00 -0.37 5.12 5.08 -1.96 2.77 114.58 125.21 1xxe h GLU 51 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xxe h GLU 51 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xxe h GLU 51 CO -0.36 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 178.84 1xxe n PHE 52 N -2.05 0.47 -1.90 4.33 3.01 0.76 -4.94 117.46 117.14 1xxe n PHE 52 Ca -0.01 -0.24 -0.42 0.00 1.01 0.00 0.00 57.45 57.80 1xxe n PHE 52 Cb 0.55 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.99 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 -1.53 2.45 -0.02 -4.37 1.01 0.93 -2.49 120.40 116.38 1xxe s VAL 53 Ca 0.38 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1xxe s VAL 53 Cb 0.23 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1xxe s VAL 53 CO 0.32 0.04 -0.00 1.33 0.00 0.00 0.00 175.10 176.78 1xxe n VAL 54 N 3.17 0.14 -3.63 2.92 0.24 -1.00 -4.87 118.33 115.30 1xxe n VAL 54 Ca 0.11 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.34 62.21 1xxe n VAL 54 Cb 0.38 -0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 31.81 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 -2.05 -0.48 -0.17 6.34 5.65 -1.22 -5.05 115.29 118.32 1xxe s HIS 55 Ca -0.02 0.97 -0.02 0.00 0.25 0.00 0.00 55.06 56.24 1xxe s HIS 55 Cb 0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 32.58 31.37 1xxe s HIS 55 CO 0.07 -0.41 -0.09 0.95 -0.65 0.00 0.00 174.74 174.61 1xxe s THR 56 N 2.44 3.28 0.00 0.89 -4.23 -1.26 -1.88 115.64 114.88 1xxe s THR 56 Ca 0.02 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1xxe s THR 56 Cb -0.13 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1xxe s THR 56 CO -0.10 0.49 0.00 -3.20 -0.54 0.00 0.00 174.62 171.27 1xxe n ASN 57 N 3.98 0.00 0.20 3.99 2.85 -1.26 -4.88 115.26 120.15 1xxe n ASN 57 Ca -0.18 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.32 1xxe n ASN 57 Cb 0.52 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.70 1xxe n ASN 57 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1xxe h HIS 58 N 0.00 0.00 -4.08 1.20 3.86 -2.03 -3.39 115.15 110.71 1xxe h HIS 58 Ca 0.00 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.96 1xxe h HIS 58 Cb 0.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.32 1xxe h HIS 58 CO 0.00 0.00 -0.65 0.45 0.86 0.00 0.00 177.93 178.59 1xxe s SER 59 N -2.97 0.79 -0.19 2.45 0.15 -1.26 -5.05 113.70 107.62 1xxe s SER 59 Ca -0.01 -1.21 -0.04 0.00 0.70 0.00 0.00 55.95 55.38 1xxe s SER 59 Cb 0.02 0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1xxe s SER 59 CO 0.05 -0.66 -0.02 -0.89 1.20 0.00 0.00 173.24 172.92 1xxe s THR 60 N -3.85 3.84 0.08 6.45 2.01 -1.26 -4.52 115.64 118.38 1xxe s THR 60 Ca 0.26 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.98 1xxe s THR 60 Cb 0.07 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1xxe s THR 60 CO 0.04 0.44 -0.20 -1.81 -0.69 0.00 0.00 174.62 172.41 1xxe s ASP 61 N 0.90 2.41 0.23 3.53 1.01 -0.79 -0.47 116.67 123.50 1xxe s ASP 61 Ca 0.00 -0.61 0.08 0.00 0.71 0.00 0.00 52.55 52.73 1xxe s ASP 61 Cb -0.14 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.58 1xxe s ASP 61 CO 0.02 0.08 -0.13 -0.76 0.21 0.00 0.00 175.17 174.59 1xxe s LEU 62 N -1.61 2.54 -0.28 1.23 1.43 -0.51 -2.37 118.68 119.11 1xxe s LEU 62 Ca 0.06 -1.06 -0.27 0.00 -1.03 0.00 0.00 54.13 51.83 1xxe s LEU 62 Cb -0.09 -0.70 0.18 0.00 0.03 0.00 0.00 46.19 45.60 1xxe s LEU 62 CO 0.03 -0.19 1.35 -0.83 0.23 0.00 0.00 176.35 176.94 1xxe s GLY 63 N -3.36 0.19 0.02 -3.19 0.00 -1.04 0.28 107.32 100.21 1xxe s GLY 63 Ca 0.25 3.15 -0.07 0.00 0.00 0.00 0.00 44.72 48.04 1xxe s GLY 63 CO 0.09 1.63 0.14 -0.12 0.00 0.00 0.00 173.10 174.83 1xxe s PHE 64 N -0.33 0.08 -1.34 1.90 5.36 0.52 -4.79 117.98 119.37 1xxe s PHE 64 Ca 0.07 -0.24 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 1xxe s PHE 64 Cb -0.04 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.58 1xxe s PHE 64 CO -0.11 -0.33 0.00 1.63 -1.46 0.00 0.00 175.22 174.95 1xxe n LYS 65 N 1.17 -2.00 -0.67 10.12 4.76 -1.26 -0.07 118.16 130.19 1xxe n LYS 65 Ca -0.21 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1xxe n LYS 65 Cb 0.57 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 28.38 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 -0.87 0.83 3.88 0.72 0.00 -1.26 -5.03 105.19 103.46 1xxe n GLY 66 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.33 3.60 0.01 1.61 -1.52 0.89 -5.10 119.66 118.83 1xxe s GLN 67 Ca 0.00 -0.06 -0.05 0.00 -1.95 0.00 0.00 55.36 53.30 1xxe s GLN 67 Cb 0.00 -3.04 -0.00 0.00 -0.22 0.00 0.00 33.01 29.74 1xxe s GLN 67 CO 0.00 0.62 0.09 -0.98 -0.25 0.00 0.00 175.29 174.77 1xxe s ARG 68 N -1.90 0.42 0.01 2.91 1.70 -1.26 -0.36 118.95 120.48 1xxe s ARG 68 Ca 0.30 -0.44 0.03 0.00 -0.47 0.00 0.00 55.73 55.15 1xxe s ARG 68 Cb -0.13 0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 34.41 1xxe s ARG 68 CO 0.18 -0.09 -0.10 0.42 -1.08 0.00 0.00 175.30 174.62 1xxe s ILE 69 N -1.35 0.77 0.10 4.99 1.01 0.14 -4.79 121.20 122.07 1xxe s ILE 69 Ca -0.15 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 59.93 1xxe s ILE 69 Cb -0.08 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1xxe s ILE 69 CO 0.01 0.05 -0.13 -0.54 0.00 0.00 0.00 174.94 174.33 1xxe s LYS 70 N -0.68 2.02 -0.71 2.79 1.02 -0.60 -1.43 119.74 122.15 1xxe s LYS 70 Ca 0.01 -1.07 -0.04 0.00 0.02 0.00 0.00 55.97 54.89 1xxe s LYS 70 Cb -0.06 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1xxe s LYS 70 CO 0.00 0.50 0.66 2.41 -0.92 0.00 0.00 175.35 178.01 1xxe n THR 71 N 0.77 -8.19 0.36 2.17 -1.04 0.38 -2.15 114.28 106.59 1xxe n THR 71 Ca -0.14 -0.04 0.04 0.00 -2.04 0.00 0.00 64.05 61.87 1xxe n THR 71 Cb 0.52 -5.76 -0.01 0.00 -1.82 0.00 0.00 70.33 63.26 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 -1.76 0.00 0.27 12.58 0.24 -1.19 -4.29 118.33 124.18 1xxe n VAL 72 Ca -0.08 -0.40 0.14 0.00 -2.04 0.00 0.00 64.34 61.97 1xxe n VAL 72 Cb 0.56 1.07 0.75 0.00 -1.47 0.00 0.00 33.84 34.75 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 0.71 0.00 0.51 7.34 4.11 -1.87 -1.82 114.58 123.56 1xxe h GLU 73 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 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 0.10 -0.25 0.45 0.07 0.00 0.00 179.01 179.39 1xxe h HIS 74 N 0.00 -0.64 -0.49 2.06 3.86 -1.93 -1.03 115.15 116.99 1xxe h HIS 74 Ca -0.00 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1xxe h HIS 74 Cb 0.35 0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 1xxe h HIS 74 CO 0.00 -0.40 0.31 0.97 0.86 0.00 0.00 177.93 179.68 1xxe h ILE 75 N -1.10 1.10 -0.95 2.45 6.09 -1.86 -1.88 117.51 121.37 1xxe h ILE 75 Ca -0.07 -0.22 0.11 0.00 -1.37 0.00 0.00 64.86 63.31 1xxe h ILE 75 Cb 0.53 0.41 -0.08 0.00 0.47 0.00 0.00 36.82 38.14 1xxe h ILE 75 CO 0.12 0.12 0.58 -0.07 -3.07 0.00 0.00 178.15 175.82 1xxe h LEU 76 N 0.64 0.85 -0.19 2.19 3.38 -1.39 -1.73 115.31 119.06 1xxe h LEU 76 Ca 0.18 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xxe h LEU 76 Cb -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1xxe h LEU 76 CO -0.05 0.46 0.11 -1.28 0.09 0.00 0.00 178.44 177.76 1xxe h SER 77 N 0.93 0.24 0.32 -0.43 0.87 -0.37 -0.08 113.55 115.03 1xxe h SER 77 Ca 0.47 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1xxe h SER 77 Cb 0.46 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1xxe h SER 77 CO -0.26 0.25 -0.28 0.58 -0.53 0.00 0.00 176.83 176.58 1xxe h VAL 78 N 0.21 0.41 -0.79 2.23 2.07 -0.98 -1.66 116.25 117.74 1xxe h VAL 78 Ca 0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.72 1xxe h VAL 78 Cb 0.06 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 1xxe h VAL 78 CO -0.01 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.89 1xxe h LEU 79 N -0.62 0.44 0.42 2.57 3.38 -1.22 -1.34 115.31 118.94 1xxe h LEU 79 Ca -0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xxe h LEU 79 Cb 0.55 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1xxe h LEU 79 CO -0.03 0.19 -0.42 -0.74 0.09 0.00 0.00 178.44 177.53 1xxe h HIS 80 N 0.57 -1.16 -0.81 1.13 2.76 -0.29 -0.24 115.15 117.10 1xxe h HIS 80 Ca 0.43 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.71 1xxe h HIS 80 Cb 0.59 0.45 -0.06 0.00 1.55 0.00 0.00 27.41 29.94 1xxe h HIS 80 CO -0.12 -0.58 0.53 -0.07 -1.30 0.00 0.00 177.93 176.39 1xxe h LEU 81 N -0.86 0.65 0.00 0.26 3.38 -0.74 0.16 115.31 118.17 1xxe h LEU 81 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xxe h LEU 81 Cb 0.76 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xxe h LEU 81 CO -0.07 0.38 0.00 0.18 0.09 0.00 0.00 178.44 179.02 1xxe n LEU 82 N -4.51 0.00 -3.00 1.67 4.77 -0.56 -4.90 117.00 110.47 1xxe n LEU 82 Ca 0.14 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 56.13 1xxe n LEU 82 Cb 0.35 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1xxe n LEU 82 CO 0.32 -0.00 0.15 -0.62 -1.33 0.00 0.00 177.39 175.90 1xxe n GLU 83 N -1.22 -6.06 -2.88 3.23 4.71 0.56 -4.96 120.64 114.03 1xxe n GLU 83 Ca 0.17 0.74 -0.41 0.00 -0.01 0.00 0.00 57.16 57.65 1xxe n GLU 83 Cb 0.21 -5.42 -0.04 0.00 -1.01 0.00 0.00 31.44 25.18 1xxe n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1xxe s ILE 84 N -3.22 4.95 0.00 -3.67 -1.09 -0.76 -4.55 121.20 112.87 1xxe s ILE 84 Ca 0.43 1.75 0.00 0.00 -2.23 0.00 0.00 60.65 60.60 1xxe s ILE 84 Cb -0.19 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1xxe s ILE 84 CO 0.53 0.20 0.00 0.35 -1.23 0.00 0.00 174.94 174.79 1xxe n THR 85 N 3.87 0.00 -2.68 2.92 -2.24 -0.82 -4.80 114.28 110.54 1xxe n THR 85 Ca 0.02 0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 1xxe n THR 85 Cb 0.51 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.67 6.77 -0.25 3.42 -0.87 -1.15 -3.08 114.94 118.10 1xxe s ASN 86 Ca 0.00 0.74 -0.26 0.00 -1.57 0.00 0.00 52.86 51.77 1xxe s ASN 86 Cb 0.00 -2.52 0.10 0.00 -0.02 0.00 0.00 41.25 38.80 1xxe s ASN 86 CO 0.00 -0.98 0.87 0.68 -2.57 0.00 0.00 177.10 175.10 1xxe s VAL 87 N 3.83 0.00 -0.41 1.60 -7.23 -0.98 -3.94 120.40 113.27 1xxe s VAL 87 Ca 0.44 0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.54 1xxe s VAL 87 Cb -0.11 -1.00 0.09 0.00 0.56 0.00 0.00 36.38 35.92 1xxe s VAL 87 CO 0.21 0.00 0.23 -0.89 -0.31 0.00 0.00 175.10 174.34 1xxe s THR 88 N 0.12 3.88 -0.49 5.32 2.01 -0.56 -2.59 115.64 123.33 1xxe s THR 88 Ca 0.01 -1.58 -0.18 0.00 0.31 0.00 0.00 61.69 60.24 1xxe s THR 88 Cb -0.04 -3.44 0.06 0.00 0.01 0.00 0.00 72.50 69.08 1xxe s THR 88 CO -0.02 -0.53 0.56 -0.63 -0.69 0.00 0.00 174.62 173.31 1xxe s ILE 89 N 1.34 4.97 -0.19 1.82 1.09 -0.73 -1.54 121.20 127.95 1xxe s ILE 89 Ca 0.04 -0.59 -0.27 0.00 -1.10 0.00 0.00 60.65 58.73 1xxe s ILE 89 Cb -0.23 -4.23 -0.01 0.00 -1.06 0.00 0.00 42.46 36.93 1xxe s ILE 89 CO 0.00 -0.71 0.91 -1.61 -0.10 0.00 0.00 174.94 173.43 1xxe s GLU 90 N 2.37 4.28 -0.45 2.79 2.02 0.18 -1.84 118.70 128.04 1xxe s GLU 90 Ca 0.13 1.15 -0.13 0.00 0.02 0.00 0.00 54.97 56.14 1xxe s GLU 90 Cb -0.20 -3.60 0.08 0.00 0.10 0.00 0.00 34.13 30.50 1xxe s GLU 90 CO 0.11 -0.46 0.34 0.08 0.02 0.00 0.00 175.26 175.35 1xxe s VAL 91 N 2.59 4.79 -0.44 2.63 1.01 -0.46 -1.69 120.40 128.83 1xxe s VAL 91 Ca 0.40 -1.22 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 1xxe s VAL 91 Cb -0.16 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1xxe s VAL 91 CO 0.10 -0.55 0.88 -0.63 0.00 0.00 0.00 175.10 174.90 1xxe s ILE 92 N 1.54 4.55 -1.58 2.22 1.01 -0.46 -4.73 121.20 123.75 1xxe s ILE 92 Ca 0.04 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1xxe s ILE 92 Cb -0.24 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.85 1xxe s ILE 92 CO 0.05 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.85 1xxe n GLY 93 N 4.86 0.89 0.03 6.18 0.00 -1.26 -1.95 105.19 113.93 1xxe n GLY 93 Ca 0.05 -2.21 0.11 0.00 0.00 0.00 0.00 46.02 43.97 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 0.95 0.55 -3.98 1.61 3.02 -1.26 -4.93 115.26 111.22 1xxe n ASN 94 Ca 0.00 -0.27 -0.15 0.00 -0.03 0.00 0.00 54.58 54.13 1xxe n ASN 94 Cb 0.00 1.09 -0.14 0.00 -0.61 0.00 0.00 39.78 40.13 1xxe n ASN 94 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1xxe s GLU 95 N -3.25 0.44 0.09 3.52 2.12 -1.26 -1.56 118.70 118.81 1xxe s GLU 95 Ca 0.01 -0.34 -0.31 0.00 0.36 0.00 0.00 54.97 54.70 1xxe s GLU 95 Cb 0.14 -0.37 -0.08 0.00 0.26 0.00 0.00 34.13 34.09 1xxe s GLU 95 CO 0.84 0.09 1.45 0.42 -0.54 0.00 0.00 175.26 177.52 1xxe s ILE 96 N -0.46 3.27 -0.05 -3.70 -1.09 -0.91 -4.56 121.20 113.70 1xxe s ILE 96 Ca -0.01 0.85 -0.39 0.00 -2.23 0.00 0.00 60.65 58.87 1xxe s ILE 96 Cb -0.04 -3.54 -0.17 0.00 -1.58 0.00 0.00 42.46 37.12 1xxe s ILE 96 CO -0.00 0.04 1.38 -2.65 -1.23 0.00 0.00 174.94 172.48 1xxe n PRO 97 N 4.44 0.81 0.18 2.79 -0.02 -1.26 -4.49 135.00 137.45 1xxe n PRO 97 Ca 0.13 0.29 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 1xxe n PRO 97 Cb 0.42 -1.90 0.10 0.00 -0.02 0.00 0.00 33.50 32.10 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 3.74 0.42 0.00 4.25 6.09 -1.78 -3.48 117.51 126.75 1xxe h ILE 98 Ca -0.48 -1.59 0.00 0.00 -1.37 0.00 0.00 64.86 61.42 1xxe h ILE 98 Cb 1.36 2.20 0.00 0.00 0.47 0.00 0.00 36.82 40.85 1xxe h ILE 98 CO 0.80 0.24 0.00 0.18 -3.07 0.00 0.00 178.15 176.30 1xxe n LEU 99 N -3.16 0.00 -0.02 2.19 4.77 -1.26 -0.68 117.00 118.85 1xxe n LEU 99 Ca 0.03 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1xxe n LEU 99 Cb 0.63 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.80 1xxe n LEU 99 CO 0.37 0.00 0.23 -0.67 -1.33 0.00 0.00 177.39 175.99 1xxe n ASP 100 N 8.04 0.78 0.00 -1.43 2.03 -1.26 -4.56 116.55 120.15 1xxe n ASP 100 Ca 0.00 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.67 1xxe n ASP 100 Cb 0.00 0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 1.49 0.55 1.75 0.27 0.00 0.15 -4.27 105.19 105.14 1xxe n GLY 101 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 2.28 -0.07 1.61 3.41 -1.26 -1.80 113.62 117.80 1xxe n SER 102 Ca 0.00 -1.98 0.03 0.00 -0.26 0.00 0.00 58.87 56.66 1xxe n SER 102 Cb 0.00 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 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 2.02 0.09 0.45 5.00 0.00 -0.95 -4.63 105.19 107.17 1xxe n GLY 103 Ca -0.06 -0.15 0.29 0.00 0.00 0.00 0.00 46.02 46.10 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 0.34 0.51 0.15 1.61 2.91 -1.84 0.77 115.95 120.40 1xxe h TRP 104 Ca 0.00 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 1xxe h TRP 104 Cb 0.16 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 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 0.24 -0.19 -0.37 2.65 4.39 -1.90 0.79 114.58 120.19 1xxe h GLU 105 Ca 0.66 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.34 1xxe h GLU 105 Cb 1.98 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 1xxe h GLU 105 CO -0.29 -0.07 0.07 0.74 -1.16 0.00 0.00 179.01 178.30 1xxe h PHE 106 N -0.26 0.65 -0.69 4.33 0.04 -1.26 -2.22 116.94 117.53 1xxe h PHE 106 Ca -0.02 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 1xxe h PHE 106 Cb 0.20 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1xxe h PHE 106 CO -0.05 0.65 0.34 -0.92 -0.60 0.00 0.00 178.31 177.73 1xxe h TYR 107 N 0.46 0.97 0.20 -0.55 5.03 -0.94 0.37 116.97 122.51 1xxe h TYR 107 Ca 0.11 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1xxe h TYR 107 Cb 0.35 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.32 1xxe h TYR 107 CO 0.02 0.70 -0.10 0.93 -1.32 0.00 0.00 178.16 178.40 1xxe h GLU 108 N 0.98 -0.26 0.03 1.82 4.39 0.94 -2.44 114.58 120.03 1xxe h GLU 108 Ca 0.24 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1xxe h GLU 108 Cb 0.09 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xxe h GLU 108 CO -0.03 0.02 -0.01 0.00 -1.16 0.00 0.00 179.01 177.82 1xxe h ALA 109 N 0.18 -0.04 -0.58 3.43 0.00 -1.34 -3.15 119.26 117.75 1xxe h ALA 109 Ca -0.03 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.65 1xxe h ALA 109 Cb 0.41 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1xxe h ALA 109 CO 0.05 -0.09 0.04 0.82 0.00 0.00 0.00 179.25 180.07 1xxe h ILE 110 N -0.91 0.57 -0.32 0.00 2.04 -1.05 0.47 117.51 118.31 1xxe h ILE 110 Ca -0.00 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1xxe h ILE 110 Cb 0.70 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1xxe h ILE 110 CO 0.01 0.03 0.22 -0.09 0.00 0.00 0.00 178.15 178.31 1xxe h ARG 111 N 0.16 0.16 -0.42 2.37 2.43 -1.55 0.40 114.38 117.94 1xxe h ARG 111 Ca 0.30 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1xxe h ARG 111 Cb 0.47 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1xxe h ARG 111 CO -0.46 0.10 0.00 1.17 -1.51 0.00 0.00 179.97 179.27 1xxe n LYS 112 N -4.48 1.47 -1.37 0.20 4.81 0.16 -3.56 118.16 115.40 1xxe n LYS 112 Ca 0.04 -0.54 -0.01 0.00 -0.87 0.00 0.00 58.31 56.92 1xxe n LYS 112 Cb 0.28 -1.30 -0.02 0.00 0.02 0.00 0.00 35.03 34.01 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 -0.01 0.06 -4.83 3.14 3.02 0.14 -5.03 115.26 111.74 1xxe n ASN 113 Ca 0.05 -2.01 -0.34 0.00 -0.03 0.00 0.00 54.58 52.25 1xxe n ASN 113 Cb 0.23 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xxe s ILE 114 N -0.13 4.58 0.11 2.41 1.01 -0.86 0.65 121.20 128.97 1xxe s ILE 114 Ca 0.18 1.19 0.04 0.00 0.00 0.00 0.00 60.65 62.07 1xxe s ILE 114 Cb 0.22 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1xxe s ILE 114 CO -0.09 0.01 -0.11 -0.22 0.00 0.00 0.00 174.94 174.53 1xxe s LEU 115 N -2.47 2.42 -0.16 2.97 2.96 0.25 -4.41 118.68 120.24 1xxe s LEU 115 Ca 0.49 -0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1xxe s LEU 115 Cb -0.14 -0.39 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 1xxe s LEU 115 CO 0.19 -0.23 -0.05 0.20 -1.32 0.00 0.00 176.35 175.13 1xxe s ASN 116 N -2.54 4.57 0.09 3.68 -0.87 -1.26 -1.71 114.94 116.90 1xxe s ASN 116 Ca 0.08 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 1xxe s ASN 116 Cb -0.03 -1.74 0.00 0.00 -0.02 0.00 0.00 41.25 39.46 1xxe s ASN 116 CO 0.01 0.13 0.00 0.00 -2.57 0.00 0.00 177.10 174.68 1xxe n GLN 117 N 3.76 1.64 -3.55 -0.60 6.02 0.12 -4.94 117.38 119.83 1xxe n GLN 117 Ca -0.18 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.54 1xxe n GLN 117 Cb 0.52 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.69 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 -1.72 2.61 -3.63 1.08 0.23 -1.26 -4.45 115.26 108.11 1xxe n ASN 118 Ca 0.00 -3.16 -0.13 0.00 -0.53 0.00 0.00 54.58 50.76 1xxe n ASN 118 Cb 0.00 -0.68 -0.07 0.00 -2.08 0.00 0.00 39.78 36.95 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 -1.72 0.77 1.05 -3.83 3.52 -1.26 -4.90 118.95 112.57 1xxe s ARG 119 Ca 0.34 0.91 -0.20 0.00 -0.13 0.00 0.00 55.73 56.65 1xxe s ARG 119 Cb 0.08 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.82 1xxe s ARG 119 CO -0.10 -0.09 -0.48 -1.91 -0.81 0.00 0.00 175.30 171.91 1xxe n GLU 120 N 2.60 -0.77 -3.90 5.12 2.13 -1.26 0.14 120.64 124.70 1xxe n GLU 120 Ca -0.14 -0.21 -0.30 0.00 0.66 0.00 0.00 57.16 57.17 1xxe n GLU 120 Cb 0.55 -1.44 -0.15 0.00 0.27 0.00 0.00 31.44 30.67 1xxe n GLU 120 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xxe s ILE 121 N -2.16 1.53 -0.20 6.31 1.01 -1.26 -3.92 121.20 122.50 1xxe s ILE 121 Ca 0.49 -1.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1xxe s ILE 121 Cb -0.07 -1.99 -0.34 0.00 0.01 0.00 0.00 42.46 40.06 1xxe s ILE 121 CO 0.68 -0.41 1.68 -0.67 0.00 0.00 0.00 174.94 176.22 1xxe n ASP 122 N 4.61 1.18 -4.69 3.58 -0.08 -1.26 -4.88 116.55 115.02 1xxe n ASP 122 Ca -0.04 -2.52 -0.39 0.00 -1.51 0.00 0.00 54.79 50.33 1xxe n ASP 122 Cb 0.43 -0.71 0.04 0.00 2.34 0.00 0.00 41.12 43.23 1xxe n ASP 122 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1xxe n TYR 123 N 10.24 1.68 -3.85 -0.67 4.01 -1.26 -4.80 117.16 122.51 1xxe n TYR 123 Ca 0.46 0.45 -0.36 0.00 -0.16 0.00 0.00 57.90 58.29 1xxe n TYR 123 Cb 0.43 -2.27 -0.11 0.00 -0.31 0.00 0.00 39.34 37.07 1xxe n TYR 123 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1xxe s PHE 124 N -1.36 3.15 0.02 -0.72 2.19 -0.17 -5.00 117.98 116.09 1xxe s PHE 124 Ca 0.73 -0.19 0.05 0.00 0.33 0.00 0.00 56.93 57.85 1xxe s PHE 124 Cb -0.43 -2.19 -0.02 0.00 -1.31 0.00 0.00 43.02 39.07 1xxe s PHE 124 CO 0.49 -0.15 -0.15 0.08 1.83 0.00 0.00 175.22 177.32 1xxe s VAL 125 N 1.18 1.16 0.06 3.12 1.01 -1.26 -0.02 120.40 125.65 1xxe s VAL 125 Ca 0.05 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 1xxe s VAL 125 Cb -0.14 -1.02 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 1xxe s VAL 125 CO 0.04 0.14 0.82 -0.69 0.00 0.00 0.00 175.10 175.41 1xxe s VAL 126 N -0.64 4.66 -0.28 2.92 1.01 -0.56 -4.92 120.40 122.58 1xxe s VAL 126 Ca 0.04 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.84 1xxe s VAL 126 Cb -0.07 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 1xxe s VAL 126 CO 0.01 0.35 0.28 -0.62 0.00 0.00 0.00 175.10 175.12 1xxe n GLU 127 N 2.78 3.84 -3.90 2.72 -0.58 -1.26 -4.16 120.64 120.08 1xxe n GLU 127 Ca -0.01 -0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.61 1xxe n GLU 127 Cb 0.50 -0.90 -0.12 0.00 -0.57 0.00 0.00 31.44 30.35 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 -1.83 0.20 1.01 3.49 -1.05 -1.26 -4.83 118.70 114.42 1xxe s GLU 128 Ca 0.02 -0.23 -0.14 0.00 -0.15 0.00 0.00 54.97 54.47 1xxe s GLU 128 Cb 0.05 0.08 0.19 0.00 -0.44 0.00 0.00 34.13 34.01 1xxe s GLU 128 CO 0.30 -0.04 1.13 -1.25 0.95 0.00 0.00 175.26 176.36 1xxe s PRO 129 N -0.67 0.36 -0.19 -4.83 0.04 -1.26 -4.57 135.00 123.88 1xxe s PRO 129 Ca -0.07 0.21 -0.28 0.00 0.04 0.00 0.00 61.00 60.90 1xxe s PRO 129 Cb -0.05 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.85 1xxe s PRO 129 CO -0.00 -2.71 0.92 -1.50 0.04 0.00 0.00 177.00 173.75 1xxe s ILE 130 N -3.18 0.00 -0.09 0.56 2.07 -0.77 -4.96 121.20 114.83 1xxe s ILE 130 Ca 0.67 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.92 1xxe s ILE 130 Cb -0.14 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.47 1xxe s ILE 130 CO 0.55 0.00 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.84 1xxe s ILE 131 N -0.51 1.17 -0.19 2.00 1.01 -1.26 -1.25 121.20 122.17 1xxe s ILE 131 Ca -0.02 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1xxe s ILE 131 Cb -0.02 -1.11 0.04 0.00 0.01 0.00 0.00 42.46 41.37 1xxe s ILE 131 CO 0.00 0.38 -0.13 0.68 0.00 0.00 0.00 174.94 175.87 1xxe s VAL 132 N 1.13 1.80 -0.04 2.92 -7.23 -0.45 -4.99 120.40 113.54 1xxe s VAL 132 Ca -0.05 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1xxe s VAL 132 Cb -0.14 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1xxe s VAL 132 CO -0.02 0.29 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.35 1xxe s GLU 133 N 1.35 2.86 -0.29 4.82 2.12 -1.26 -1.53 118.70 126.77 1xxe s GLU 133 Ca 0.00 -0.52 -0.21 0.00 0.36 0.00 0.00 54.97 54.60 1xxe s GLU 133 Cb -0.15 -2.71 0.13 0.00 0.26 0.00 0.00 34.13 31.66 1xxe s GLU 133 CO -0.09 0.66 1.02 0.34 -0.54 0.00 0.00 175.26 176.65 1xxe s ASP 134 N -1.20 -0.46 -1.29 -1.70 2.15 -0.79 -4.96 116.67 108.42 1xxe s ASP 134 Ca 0.16 0.82 -0.08 0.00 0.43 0.00 0.00 52.55 53.88 1xxe s ASP 134 Cb -0.11 0.98 0.06 0.00 -0.30 0.00 0.00 42.92 43.54 1xxe s ASP 134 CO 0.06 -0.14 0.45 -0.62 -0.17 0.00 0.00 175.17 174.76 1xxe n GLU 135 N 2.82 -3.46 -0.98 4.34 4.71 -1.26 0.86 120.64 127.66 1xxe n GLU 135 Ca -0.15 0.54 0.00 0.00 -0.01 0.00 0.00 57.16 57.54 1xxe n GLU 135 Cb 0.57 -5.25 0.00 0.00 -1.01 0.00 0.00 31.44 25.74 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xxe n GLY 136 N -1.18 0.50 3.96 0.62 0.00 -1.26 -5.01 105.19 102.83 1xxe n GLY 136 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.30 2.58 -0.08 1.61 0.52 0.25 -4.95 118.95 118.57 1xxe s ARG 137 Ca 0.00 -1.49 -0.30 0.00 -0.52 0.00 0.00 55.73 53.42 1xxe s ARG 137 Cb 0.00 -2.55 0.07 0.00 0.52 0.00 0.00 34.95 32.99 1xxe s ARG 137 CO 0.00 -0.40 0.71 -1.17 0.02 0.00 0.00 175.30 174.46 1xxe s LEU 138 N -4.34 -0.65 -0.10 2.53 0.20 -0.92 -1.89 118.68 113.50 1xxe s LEU 138 Ca 0.52 0.79 -0.07 0.00 0.69 0.00 0.00 54.13 56.06 1xxe s LEU 138 Cb -0.06 2.49 0.04 0.00 -0.43 0.00 0.00 46.19 48.22 1xxe s LEU 138 CO 0.31 -0.55 0.25 -0.63 -0.29 0.00 0.00 176.35 175.45 1xxe s ILE 139 N -0.99 -0.02 -0.02 6.68 1.01 -0.58 -0.78 121.20 126.49 1xxe s ILE 139 Ca -0.09 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.71 1xxe s ILE 139 Cb -0.01 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 1xxe s ILE 139 CO 0.08 0.04 -0.19 -0.75 0.00 0.00 0.00 174.94 174.12 1xxe s LYS 140 N 0.84 1.63 -0.02 2.79 2.20 -0.32 -1.34 119.74 125.52 1xxe s LYS 140 Ca -0.06 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 54.95 1xxe s LYS 140 Cb -0.07 -1.53 -0.02 0.00 -1.51 0.00 0.00 37.83 34.70 1xxe s LYS 140 CO -0.05 0.38 -0.25 0.00 -0.36 0.00 0.00 175.35 175.07 1xxe s ALA 141 N -0.35 2.06 -0.02 3.13 0.00 -0.38 -0.19 121.76 126.01 1xxe s ALA 141 Ca 0.05 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1xxe s ALA 141 Cb -0.08 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1xxe s ALA 141 CO -0.00 0.49 -0.03 -2.00 0.00 0.00 0.00 175.76 174.22 1xxe s GLU 142 N -0.54 0.48 0.57 0.00 2.12 0.12 -1.85 118.70 119.61 1xxe s GLU 142 Ca 0.08 -0.08 -0.19 0.00 0.36 0.00 0.00 54.97 55.14 1xxe s GLU 142 Cb -0.10 -0.53 -0.07 0.00 0.26 0.00 0.00 34.13 33.69 1xxe s GLU 142 CO -0.01 -0.02 0.85 -0.35 -0.54 0.00 0.00 175.26 175.20 1xxe n PRO 143 N 3.62 0.85 -3.53 4.30 -0.04 -1.26 0.37 135.00 139.31 1xxe n PRO 143 Ca -0.21 0.33 -0.08 0.00 -0.04 0.00 0.00 63.50 63.50 1xxe n PRO 143 Cb 0.54 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.16 -0.33 0.00 3.54 0.15 -1.26 -4.37 113.70 110.27 1xxe s SER 144 Ca 0.72 0.07 0.24 0.00 0.70 0.00 0.00 55.95 57.67 1xxe s SER 144 Cb -0.44 0.33 0.90 0.00 -1.71 0.00 0.00 66.02 65.10 1xxe s SER 144 CO 0.50 -0.52 1.64 0.47 1.20 0.00 0.00 173.24 176.54 1xxe n ASP 145 N -0.06 1.52 -4.02 5.45 9.92 -1.26 -3.83 116.55 124.27 1xxe n ASP 145 Ca -0.08 -1.61 -0.11 0.00 -0.53 0.00 0.00 54.79 52.47 1xxe n ASP 145 Cb 0.61 -0.06 -0.11 0.00 -0.64 0.00 0.00 41.12 40.91 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 -1.88 0.32 -0.35 -3.53 -4.23 -1.26 -4.91 115.64 99.80 1xxe s THR 146 Ca 0.35 -1.00 -0.27 0.00 -1.18 0.00 0.00 61.69 59.60 1xxe s THR 146 Cb 0.19 -0.43 0.01 0.00 1.34 0.00 0.00 72.50 73.61 1xxe s THR 146 CO 0.29 -0.44 0.96 -0.22 -0.54 0.00 0.00 174.62 174.66 1xxe s LEU 147 N -1.52 3.98 0.00 4.79 2.96 -1.26 -2.45 118.68 125.18 1xxe s LEU 147 Ca -0.13 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1xxe s LEU 147 Cb -0.10 -3.33 -0.01 0.00 0.50 0.00 0.00 46.19 43.26 1xxe s LEU 147 CO -0.00 -0.85 -0.05 -0.70 -1.32 0.00 0.00 176.35 173.43 1xxe s GLU 148 N 3.50 0.38 -0.03 1.98 2.12 -0.74 -3.57 118.70 122.35 1xxe s GLU 148 Ca 0.40 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.47 1xxe s GLU 148 Cb -0.12 -0.32 0.02 0.00 0.26 0.00 0.00 34.13 33.96 1xxe s GLU 148 CO 0.17 0.08 -0.03 0.08 -0.54 0.00 0.00 175.26 175.03 1xxe s VAL 149 N -0.35 0.35 -0.15 3.70 1.01 -0.96 -1.00 120.40 123.00 1xxe s VAL 149 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1xxe s VAL 149 Cb -0.03 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1xxe s VAL 149 CO -0.00 0.16 -0.20 -0.89 0.00 0.00 0.00 175.10 174.16 1xxe s THR 150 N 0.62 2.21 -0.13 3.92 2.01 0.29 -0.31 115.64 124.26 1xxe s THR 150 Ca -0.07 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1xxe s THR 150 Cb -0.10 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 1xxe s THR 150 CO -0.01 0.54 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.85 1xxe s TYR 151 N 0.85 2.77 -0.35 4.92 5.04 -0.98 0.55 117.35 130.16 1xxe s TYR 151 Ca -0.06 -0.72 -0.02 0.00 -2.44 0.00 0.00 57.07 53.83 1xxe s TYR 151 Cb -0.15 -1.82 0.08 0.00 0.35 0.00 0.00 41.96 40.41 1xxe s TYR 151 CO -0.02 -0.25 0.10 -2.00 -1.34 0.00 0.00 175.55 172.04 1xxe s GLU 152 N 0.36 2.23 -0.02 4.97 2.56 0.11 -1.57 118.70 127.33 1xxe s GLU 152 Ca -0.12 -1.52 -0.02 0.00 0.00 0.00 0.00 54.97 53.31 1xxe s GLU 152 Cb -0.16 -3.38 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 1xxe s GLU 152 CO 0.06 -0.83 0.15 0.20 -0.56 0.00 0.00 175.26 174.28 1xxe s GLY 153 N 1.50 2.12 -0.47 -1.50 0.00 -0.43 -1.30 107.32 107.25 1xxe s GLY 153 Ca 0.02 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.98 1xxe s GLY 153 CO -0.02 -0.66 0.31 -0.54 0.00 0.00 0.00 173.10 172.19 1xxe s GLU 154 N -1.80 1.28 0.25 2.90 2.02 -1.26 -1.63 118.70 120.46 1xxe s GLU 154 Ca 0.25 -2.18 -0.13 0.00 0.02 0.00 0.00 54.97 52.93 1xxe s GLU 154 Cb -0.12 -2.11 -0.08 0.00 0.10 0.00 0.00 34.13 31.91 1xxe s GLU 154 CO 0.16 -1.26 0.63 -0.06 0.02 0.00 0.00 175.26 174.75 1xxe s PHE 155 N 0.05 3.45 -1.18 1.61 0.08 0.02 -4.94 117.98 117.06 1xxe s PHE 155 Ca 0.23 1.05 0.26 0.00 0.12 0.00 0.00 56.93 58.59 1xxe s PHE 155 Cb -0.12 -2.39 0.66 0.00 -0.57 0.00 0.00 43.02 40.59 1xxe s PHE 155 CO -0.08 0.23 1.51 1.63 -0.10 0.00 0.00 175.22 178.41 1xxe n LYS 156 N -0.03 0.20 -0.06 0.44 4.76 -1.26 -3.29 118.16 118.92 1xxe n LYS 156 Ca 0.01 -0.11 -0.02 0.00 -2.87 0.00 0.00 58.31 55.31 1xxe n LYS 156 Cb 0.52 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1xxe n LYS 156 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xxe n ASN 157 N -1.30 -1.43 0.29 4.39 6.94 -1.26 -4.75 115.26 118.14 1xxe n ASN 157 Ca 0.07 -0.40 0.16 0.00 -0.02 0.00 0.00 54.58 54.40 1xxe n ASN 157 Cb 0.33 -0.08 0.94 0.00 -2.36 0.00 0.00 39.78 38.62 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 -1.76 0.00 0.28 -2.53 -5.15 -1.59 -2.67 116.94 103.52 1xxe h PHE 158 Ca -0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.74 1xxe h PHE 158 Cb 0.10 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.23 1xxe h PHE 158 CO 0.00 0.00 -0.45 -0.07 -2.00 0.00 0.00 178.31 175.79 1xxe h LEU 159 N 0.00 -1.28 0.00 2.10 3.38 -1.87 -3.48 115.31 114.16 1xxe h LEU 159 Ca 0.01 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1xxe h LEU 159 Cb 0.09 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xxe h LEU 159 CO -0.00 -0.56 0.00 0.61 0.09 0.00 0.00 178.44 178.58 1xxe n GLY 160 N -1.50 0.97 3.38 0.83 0.00 -1.01 -4.91 105.19 102.95 1xxe n GLY 160 Ca -0.09 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 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 2.04 0.10 1.61 0.52 -1.26 -0.80 118.95 121.16 1xxe s ARG 161 Ca 0.00 -0.97 -0.25 0.00 -0.52 0.00 0.00 55.73 53.99 1xxe s ARG 161 Cb 0.00 -2.10 0.08 0.00 0.52 0.00 0.00 34.95 33.45 1xxe s ARG 161 CO 0.00 0.55 0.69 1.14 0.02 0.00 0.00 175.30 177.70 1xxe s GLN 162 N -1.04 1.13 0.08 3.54 -2.07 -0.65 -5.01 119.66 115.65 1xxe s GLN 162 Ca 0.12 -0.39 0.04 0.00 -1.82 0.00 0.00 55.36 53.31 1xxe s GLN 162 Cb -0.10 0.52 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 1xxe s GLN 162 CO 0.02 -0.49 -0.11 -1.59 -1.32 0.00 0.00 175.29 171.79 1xxe s LYS 163 N -3.45 0.81 -0.08 9.60 -2.85 -1.26 -1.32 119.74 121.19 1xxe s LYS 163 Ca 0.02 -1.05 -0.01 0.00 -1.00 0.00 0.00 55.97 53.93 1xxe s LYS 163 Cb -0.01 -0.61 0.03 0.00 -2.06 0.00 0.00 37.83 35.18 1xxe s LYS 163 CO -0.11 0.11 -0.02 0.12 0.10 0.00 0.00 175.35 175.55 1xxe s PHE 164 N -1.93 0.91 -0.26 1.78 5.36 -0.61 -4.98 117.98 118.25 1xxe s PHE 164 Ca 0.01 -0.34 -0.12 0.00 -0.96 0.00 0.00 56.93 55.53 1xxe s PHE 164 Cb -0.06 -0.93 -0.05 0.00 -0.34 0.00 0.00 43.02 41.64 1xxe s PHE 164 CO 0.01 -0.38 0.22 0.99 -1.46 0.00 0.00 175.22 174.60 1xxe s THR 165 N 1.89 5.30 -0.06 0.12 2.01 -1.26 -2.31 115.64 121.32 1xxe s THR 165 Ca 0.05 0.27 -0.13 0.00 0.31 0.00 0.00 61.69 62.19 1xxe s THR 165 Cb -0.12 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1xxe s THR 165 CO -0.06 0.27 0.33 0.12 -0.69 0.00 0.00 174.62 174.59 1xxe s PHE 166 N 1.56 3.65 0.11 4.92 5.36 0.57 -4.97 117.98 129.18 1xxe s PHE 166 Ca 0.09 0.82 0.04 0.00 -0.96 0.00 0.00 56.93 56.92 1xxe s PHE 166 Cb -0.15 -2.22 -0.04 0.00 -0.34 0.00 0.00 43.02 40.27 1xxe s PHE 166 CO 0.09 0.59 -0.10 0.08 -1.46 0.00 0.00 175.22 174.41 1xxe s VAL 167 N -0.77 1.01 -0.13 3.12 1.01 -1.26 -2.25 120.40 121.12 1xxe s VAL 167 Ca 0.21 -1.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.15 1xxe s VAL 167 Cb -0.15 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 1xxe s VAL 167 CO 0.10 -0.60 2.12 -1.61 0.00 0.00 0.00 175.10 175.10 1xxe s GLU 168 N -3.04 3.50 0.00 2.72 8.01 -1.23 -1.74 118.70 126.91 1xxe s GLU 168 Ca 0.08 2.23 0.00 0.00 0.01 0.00 0.00 54.97 57.29 1xxe s GLU 168 Cb -0.01 -4.29 0.00 0.00 -4.31 0.00 0.00 34.13 25.51 1xxe s GLU 168 CO 0.00 -1.69 0.00 0.41 0.01 0.00 0.00 175.26 173.99 1xxe n GLY 169 N 5.31 1.19 1.12 -1.39 0.00 -1.26 -4.97 105.19 105.19 1xxe n GLY 169 Ca 0.26 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 1.36 -0.01 1.61 4.13 -0.71 -4.83 115.26 116.80 1xxe n ASN 170 Ca 0.00 -2.87 -0.00 0.00 1.68 0.00 0.00 54.58 53.39 1xxe n ASN 170 Cb 0.00 -0.40 0.29 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 1.03 0.55 0.00 3.52 3.07 -1.94 -2.47 114.58 118.34 1xxe h GLU 171 Ca -0.12 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1xxe h GLU 171 Cb 1.49 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1xxe h GLU 171 CO 0.06 0.56 0.20 0.93 -1.40 0.00 0.00 179.01 179.36 1xxe h GLU 172 N 0.53 0.00 -0.01 2.33 3.07 -1.98 0.16 114.58 118.68 1xxe h GLU 172 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1xxe h GLU 172 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1xxe h GLU 172 CO 0.01 0.00 -0.24 0.39 -1.40 0.00 0.00 179.01 177.77 1xxe n GLU 173 N -2.39 1.07 0.00 2.33 1.02 -0.93 -4.16 120.64 117.58 1xxe n GLU 173 Ca -0.01 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 1xxe n GLU 173 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.37 0.00 -0.02 -3.67 -5.35 0.52 -4.65 119.36 105.82 1xxe n ILE 174 Ca 0.13 -0.45 -0.05 0.00 -0.27 0.00 0.00 62.75 62.11 1xxe n ILE 174 Cb 0.37 1.05 -0.13 0.00 -1.74 0.00 0.00 39.64 39.19 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 -0.50 1.36 1.43 7.28 0.24 -1.04 -4.07 118.33 123.03 1xxe n VAL 175 Ca 0.00 -0.76 0.13 0.00 -2.04 0.00 0.00 64.34 61.67 1xxe n VAL 175 Cb 0.01 -0.78 0.49 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.90 1.56 -4.68 1.34 4.77 -1.26 -2.23 117.00 113.60 1xxe n LEU 176 Ca -0.17 -0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 54.83 1xxe n LEU 176 Cb 0.99 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 42.03 1xxe n LEU 176 CO 0.44 0.28 0.95 0.00 -1.33 0.00 0.00 177.39 177.73 1xxe s ALA 177 N -1.95 3.55 0.26 -1.18 0.00 -1.26 -4.91 121.76 116.27 1xxe s ALA 177 Ca 0.37 0.47 -0.08 0.00 0.00 0.00 0.00 51.96 52.71 1xxe s ALA 177 Cb 0.20 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 1xxe s ALA 177 CO 0.32 -0.88 0.56 1.03 0.00 0.00 0.00 175.76 176.79 1xxe s ARG 178 N 2.65 3.74 0.26 0.00 3.00 -1.26 -4.50 118.95 122.85 1xxe s ARG 178 Ca 0.52 0.20 -0.30 0.00 0.00 0.00 0.00 55.73 56.15 1xxe s ARG 178 Cb -0.21 -2.63 -0.11 0.00 0.00 0.00 0.00 34.95 32.00 1xxe s ARG 178 CO 0.17 0.26 1.55 -0.08 0.00 0.00 0.00 175.30 177.21 1xxe s THR 179 N -1.93 2.29 0.53 0.02 -1.32 -0.74 -4.79 115.64 109.69 1xxe s THR 179 Ca 0.46 0.24 0.02 0.00 -1.21 0.00 0.00 61.69 61.20 1xxe s THR 179 Cb -0.11 -3.15 0.01 0.00 -1.51 0.00 0.00 72.50 67.74 1xxe s THR 179 CO 0.25 0.04 0.11 0.72 -2.21 0.00 0.00 174.62 173.52 1xxe s PHE 180 N 0.16 1.74 0.02 9.09 -0.71 -1.26 -2.37 117.98 124.66 1xxe s PHE 180 Ca 0.63 -0.95 -0.29 0.00 -1.04 0.00 0.00 56.93 55.29 1xxe s PHE 180 Cb -0.46 -1.68 0.10 0.00 -1.21 0.00 0.00 43.02 39.77 1xxe s PHE 180 CO 0.44 0.02 1.07 0.00 -1.34 0.00 0.00 175.22 175.42 1xxe s PHE 182 N -2.89 3.32 -0.04 0.00 0.08 -1.26 0.34 117.98 117.53 1xxe s PHE 182 Ca 0.11 0.21 0.31 0.00 0.12 0.00 0.00 56.93 57.68 1xxe s PHE 182 Cb 0.00 -1.74 1.38 0.00 -0.57 0.00 0.00 43.02 42.09 1xxe s PHE 182 CO -0.03 0.56 1.92 0.38 -0.10 0.00 0.00 175.22 177.95 1xxe h ASP 183 N 3.95 0.00 0.72 1.36 2.03 -1.81 -2.19 116.42 120.48 1xxe h ASP 183 Ca -0.49 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 55.55 1xxe h ASP 183 Cb 1.18 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 1xxe h ASP 183 CO 0.64 0.00 -1.21 4.11 -1.03 0.00 0.00 179.24 181.75 1xxe h TRP 184 N 0.00 0.33 0.00 4.15 0.09 -1.94 -3.29 115.95 115.29 1xxe h TRP 184 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 58.89 58.74 1xxe h TRP 184 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.57 1xxe h TRP 184 CO 0.00 1.20 -0.81 -0.85 0.09 0.00 0.00 178.44 178.07 1xxe n GLU 185 N -3.46 0.35 0.07 0.12 -0.00 -1.11 -4.17 120.64 112.44 1xxe n GLU 185 Ca -0.07 0.07 -0.12 0.00 -0.00 0.00 0.00 57.16 57.04 1xxe n GLU 185 Cb 1.00 -1.69 -0.06 0.00 -0.00 0.00 0.00 31.44 30.70 1xxe n GLU 185 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1xxe h ILE 186 N 0.00 0.81 -0.46 3.84 2.04 -1.46 -1.78 117.51 120.50 1xxe h ILE 186 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1xxe h ILE 186 Cb 0.79 0.81 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 1xxe h ILE 186 CO 0.00 0.00 -0.13 -0.33 0.00 0.00 0.00 178.15 177.69 1xxe h GLU 187 N -0.16 -0.02 -0.16 2.37 5.08 -1.72 0.23 114.58 120.21 1xxe h GLU 187 Ca 0.02 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1xxe h GLU 187 Cb 0.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1xxe h GLU 187 CO -0.05 -0.01 -0.16 1.25 -1.00 0.00 0.00 179.01 179.04 1xxe h HIS 188 N -0.02 -0.42 -0.70 4.33 -0.00 -1.69 0.45 115.15 117.11 1xxe h HIS 188 Ca 0.22 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.74 1xxe h HIS 188 Cb 0.36 0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.93 1xxe h HIS 188 CO -0.41 -0.24 0.47 0.82 -0.00 0.00 0.00 177.93 178.57 1xxe h ILE 189 N -0.19 0.85 -0.03 6.26 2.04 -0.22 0.91 117.51 127.12 1xxe h ILE 189 Ca 0.10 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.64 1xxe h ILE 189 Cb 0.35 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1xxe h ILE 189 CO -0.27 0.08 -0.75 0.11 0.00 0.00 0.00 178.15 177.32 1xxe h LYS 190 N 0.44 0.21 -0.03 2.37 1.57 0.23 -2.09 116.57 119.28 1xxe h LYS 190 Ca 0.33 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1xxe h LYS 190 Cb 0.69 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1xxe h LYS 190 CO -0.10 0.87 -0.34 0.87 -0.57 0.00 0.00 179.45 180.17 1xxe h LYS 191 N 0.14 0.05 -0.31 3.15 1.57 0.22 -1.83 116.57 119.56 1xxe h LYS 191 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xxe h LYS 191 Cb 1.32 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1xxe h LYS 191 CO 0.11 0.39 0.00 1.33 -0.57 0.00 0.00 179.45 180.71 1xxe n VAL 192 N -4.12 0.20 -1.80 0.50 0.24 -0.87 -4.84 118.33 107.64 1xxe n VAL 192 Ca -0.02 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.34 62.06 1xxe n VAL 192 Cb 0.39 -0.06 -0.01 0.00 -1.47 0.00 0.00 33.84 32.69 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 0.53 0.39 3.48 7.63 0.00 -0.69 -5.03 105.19 111.50 1xxe n GLY 193 Ca 0.04 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.88 2.64 0.00 0.99 1.43 -0.79 -4.71 118.68 116.36 1xxe s LEU 194 Ca 0.00 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1xxe s LEU 194 Cb 0.00 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1xxe s LEU 194 CO 0.00 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1xxe n GLY 195 N -0.10 0.48 0.27 -3.19 0.00 -1.24 -3.68 105.19 97.73 1xxe n GLY 195 Ca -0.10 -0.90 0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.01 1.61 1.57 -1.22 -2.20 116.57 116.31 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 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1xxe h LYS 196 CO 0.00 0.08 -0.55 0.41 -0.57 0.00 0.00 179.45 178.82 1xxe n GLY 197 N -0.30 -0.19 3.69 3.86 0.00 0.92 -4.58 105.19 108.59 1xxe n GLY 197 Ca -0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.43 1.40 0.37 -0.02 0.00 0.16 -4.71 107.32 102.10 1xxe s GLY 198 Ca 0.15 1.38 0.06 0.00 0.00 0.00 0.00 44.72 46.30 1xxe s GLY 198 CO 0.59 3.11 0.22 -1.14 0.00 0.00 0.00 173.10 175.87 1xxe n SER 199 N 5.82 0.25 0.05 1.64 3.41 -1.26 -5.00 113.62 118.53 1xxe n SER 199 Ca 0.17 -3.20 0.13 0.00 -0.26 0.00 0.00 58.87 55.72 1xxe n SER 199 Cb 0.39 1.36 0.43 0.00 -0.26 0.00 0.00 64.21 66.13 1xxe n SER 199 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xxe n LEU 200 N 0.00 0.46 -0.00 1.04 4.77 -1.26 -0.76 117.00 121.25 1xxe n LEU 200 Ca 0.01 0.42 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1xxe n LEU 200 Cb 0.61 -0.35 0.18 0.00 -2.33 0.00 0.00 43.42 41.53 1xxe n LEU 200 CO 0.32 -0.05 0.36 1.17 -1.33 0.00 0.00 177.39 177.86 1xxe n LYS 201 N -1.86 0.01 0.00 3.23 4.81 -1.26 -4.18 118.16 118.91 1xxe n LYS 201 Ca 0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1xxe n LYS 201 Cb 0.39 -1.50 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 -1.49 0.32 -3.66 3.14 3.02 -1.19 -4.67 115.26 110.73 1xxe n ASN 202 Ca 0.05 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.33 1xxe n ASN 202 Cb 0.33 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.14 -0.43 -0.29 3.41 2.01 0.07 -4.00 115.64 116.27 1xxe s THR 203 Ca 0.00 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.02 1xxe s THR 203 Cb 0.00 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1xxe s THR 203 CO 0.00 0.11 0.89 -0.22 -0.69 0.00 0.00 174.62 174.71 1xxe s LEU 204 N 2.42 4.05 -0.20 4.42 2.96 -1.00 -4.31 118.68 127.02 1xxe s LEU 204 Ca 0.01 0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 54.74 1xxe s LEU 204 Cb -0.12 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 1xxe s LEU 204 CO -0.09 -0.66 0.08 -0.69 -1.32 0.00 0.00 176.35 173.67 1xxe s VAL 205 N 3.12 4.86 0.03 1.68 1.01 -1.26 -0.64 120.40 129.20 1xxe s VAL 205 Ca 0.37 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1xxe s VAL 205 Cb -0.14 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1xxe s VAL 205 CO 0.11 0.42 0.03 -0.76 0.00 0.00 0.00 175.10 174.90 1xxe s LEU 206 N 0.67 3.62 0.05 3.92 1.43 0.15 -2.45 118.68 126.07 1xxe s LEU 206 Ca 0.04 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1xxe s LEU 206 Cb -0.13 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1xxe s LEU 206 CO 0.01 0.24 0.07 -0.83 0.23 0.00 0.00 176.35 176.07 1xxe s GLY 207 N -1.90 2.00 0.53 -3.19 0.00 0.74 -2.25 107.32 103.25 1xxe s GLY 207 Ca 0.23 -0.98 0.45 0.00 0.00 0.00 0.00 44.72 44.42 1xxe s GLY 207 CO 0.15 -0.93 1.60 1.70 0.00 0.00 0.00 173.10 175.62 1xxe h LYS 208 N 3.57 0.01 0.00 2.90 3.64 -1.99 -2.35 116.57 122.36 1xxe h LYS 208 Ca -0.47 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xxe h LYS 208 Cb 1.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xxe h LYS 208 CO 0.64 0.01 -0.01 -3.47 -2.27 0.00 0.00 179.45 174.34 1xxe n ASP 209 N -4.14 0.00 -3.90 4.20 -0.08 -1.26 -1.65 116.55 109.72 1xxe n ASP 209 Ca 0.41 -1.02 -0.10 0.00 -1.51 0.00 0.00 54.79 52.57 1xxe n ASP 209 Cb 1.83 -0.00 -0.09 0.00 2.34 0.00 0.00 41.12 45.19 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1xxe s LYS 210 N 0.00 0.59 -0.15 -0.67 2.20 -0.88 -5.04 119.74 115.78 1xxe s LYS 210 Ca 0.00 -0.64 -0.05 0.00 -0.36 0.00 0.00 55.97 54.92 1xxe s LYS 210 Cb 0.00 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1xxe s LYS 210 CO 0.00 -0.15 0.01 0.08 -0.36 0.00 0.00 175.35 174.93 1xxe s VAL 211 N -2.31 4.37 -0.05 4.02 1.01 -1.26 0.26 120.40 126.44 1xxe s VAL 211 Ca -0.07 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 1xxe s VAL 211 Cb -0.03 -2.92 -0.16 0.00 0.00 0.00 0.00 36.38 33.27 1xxe s VAL 211 CO -0.03 0.50 0.89 1.88 0.00 0.00 0.00 175.10 178.34 1xxe h TYR 212 N 6.38 -0.21 -3.01 5.22 -1.99 -1.83 -3.44 116.97 118.10 1xxe h TYR 212 Ca -0.37 -0.00 -0.57 0.00 2.00 0.00 0.00 58.73 59.78 1xxe h TYR 212 Cb 1.18 0.07 0.09 0.00 2.00 0.00 0.00 36.73 40.07 1xxe h TYR 212 CO 0.56 0.22 0.65 0.09 -0.00 0.00 0.00 178.16 179.68 1xxe n ASN 213 N -4.93 3.02 0.19 3.88 3.02 -1.26 -4.87 115.26 114.31 1xxe n ASN 213 Ca -0.08 1.16 0.06 0.00 -0.03 0.00 0.00 54.58 55.70 1xxe n ASN 213 Cb 0.26 -1.48 0.36 0.00 -0.61 0.00 0.00 39.78 38.31 1xxe n ASN 213 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1xxe h PRO 214 N 3.86 0.00 -0.00 3.52 0.13 -1.99 -2.89 132.00 134.64 1xxe h PRO 214 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xxe h PRO 214 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1xxe h PRO 214 CO 0.73 0.35 -0.01 -1.91 -0.23 0.00 0.00 178.00 176.92 1xxe n GLU 215 N -3.52 0.02 0.00 0.86 0.00 -1.26 -5.02 120.64 111.72 1xxe n GLU 215 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1xxe n GLU 215 Cb 0.49 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.43 1xxe n GLU 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xxe n GLY 216 N 1.49 -1.03 3.76 8.31 0.00 -1.09 -4.75 105.19 111.88 1xxe n GLY 216 Ca 0.07 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 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 4.46 0.03 0.99 1.43 -1.26 -4.96 118.68 119.37 1xxe s LEU 217 Ca 0.00 2.11 -0.25 0.00 -1.03 0.00 0.00 54.13 54.95 1xxe s LEU 217 Cb 0.00 -3.79 -0.17 0.00 0.03 0.00 0.00 46.19 42.26 1xxe s LEU 217 CO 0.00 -0.15 1.43 0.03 0.23 0.00 0.00 176.35 177.89 1xxe h ARG 218 N 3.53 -0.22 -5.43 1.70 2.47 -1.98 -3.45 114.38 110.99 1xxe h ARG 218 Ca -0.47 0.02 -0.65 0.00 -1.26 0.00 0.00 59.98 57.62 1xxe h ARG 218 Cb 1.21 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 29.46 1xxe h ARG 218 CO 0.66 0.05 -0.49 0.71 0.56 0.00 0.00 179.97 181.46 1xxe s TYR 219 N -5.12 1.96 -0.29 3.04 2.02 -1.26 -5.01 117.35 112.68 1xxe s TYR 219 Ca -0.15 -0.88 0.27 0.00 -0.37 0.00 0.00 57.07 55.95 1xxe s TYR 219 Cb 0.03 -1.71 0.78 0.00 -0.40 0.00 0.00 41.96 40.67 1xxe s TYR 219 CO 0.62 0.14 1.76 0.93 -1.57 0.00 0.00 175.55 177.43 1xxe h GLU 220 N 1.31 0.00 -0.34 -0.62 5.08 -2.04 -3.22 114.58 114.75 1xxe h GLU 220 Ca -0.43 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.67 1xxe h GLU 220 Cb 1.30 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.25 1xxe h GLU 220 CO 0.72 0.00 -0.83 0.09 -1.00 0.00 0.00 179.01 177.99 1xxe n ASN 221 N -2.95 2.61 -0.06 1.42 4.13 -1.26 -4.84 115.26 114.30 1xxe n ASN 221 Ca 0.03 -3.11 0.03 0.00 1.68 0.00 0.00 54.58 53.21 1xxe n ASN 221 Cb 0.42 -0.42 0.38 0.00 -1.54 0.00 0.00 39.78 38.63 1xxe n ASN 221 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1xxe h GLU 222 N 1.73 0.65 -0.08 3.52 4.22 -1.95 0.25 114.58 122.91 1xxe h GLU 222 Ca 0.05 -0.04 -0.15 0.00 0.08 0.00 0.00 59.36 59.30 1xxe h GLU 222 Cb 1.40 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1xxe h GLU 222 CO 0.31 0.43 -0.53 -1.35 -2.18 0.00 0.00 179.01 175.69 1xxe h PRO 223 N 0.67 0.50 0.00 0.92 0.11 -1.88 -2.19 132.00 130.13 1xxe h PRO 223 Ca 0.19 -0.43 -0.10 0.00 0.11 0.00 0.00 66.00 65.77 1xxe h PRO 223 Cb -0.05 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1xxe h PRO 223 CO -0.04 1.06 -0.46 -0.39 -0.21 0.00 0.00 178.00 177.96 1xxe h VAL 224 N 0.08 0.87 -0.33 3.15 -1.51 -1.90 -2.59 116.25 114.03 1xxe h VAL 224 Ca -0.04 -1.97 -0.07 0.00 -1.23 0.00 0.00 66.70 63.39 1xxe h VAL 224 Cb 1.18 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 32.58 1xxe h VAL 224 CO 0.11 0.45 -0.06 0.03 -1.23 0.00 0.00 177.57 176.87 1xxe h ARG 225 N 0.00 0.62 -0.80 5.19 3.08 -0.50 -1.24 114.38 120.73 1xxe h ARG 225 Ca -0.00 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1xxe h ARG 225 Cb 1.21 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1xxe h ARG 225 CO 0.06 0.79 0.42 1.25 -1.07 0.00 0.00 179.97 181.41 1xxe h HIS 226 N 0.40 1.11 -0.09 3.04 2.76 -1.30 0.34 115.15 121.42 1xxe h HIS 226 Ca 0.09 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1xxe h HIS 226 Cb 0.54 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 1xxe h HIS 226 CO 0.05 0.79 -0.04 -0.22 -1.30 0.00 0.00 177.93 177.20 1xxe h LYS 227 N 1.11 -0.04 -0.20 5.26 1.63 -1.11 0.62 116.57 123.86 1xxe h LYS 227 Ca 0.28 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.11 1xxe h LYS 227 Cb 0.06 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1xxe h LYS 227 CO -0.04 -0.02 0.04 0.28 -3.45 0.00 0.00 179.45 176.26 1xxe h VAL 228 N -0.04 0.92 -0.79 2.00 2.07 -0.76 0.44 116.25 120.09 1xxe h VAL 228 Ca 0.05 -0.04 0.17 0.00 0.82 0.00 0.00 66.70 67.70 1xxe h VAL 228 Cb 0.11 0.78 -0.11 0.00 -1.52 0.00 0.00 31.29 30.56 1xxe h VAL 228 CO -0.11 0.02 0.30 0.15 0.02 0.00 0.00 177.57 177.95 1xxe h PHE 229 N 0.13 0.50 -0.10 1.57 3.57 -0.28 0.18 116.94 122.50 1xxe h PHE 229 Ca 0.09 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.45 1xxe h PHE 229 Cb 0.08 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1xxe h PHE 229 CO -0.14 0.00 -0.70 -0.44 -2.23 0.00 0.00 178.31 174.81 1xxe h ASP 230 N 0.40 0.53 -0.77 0.41 5.19 0.20 -2.51 116.42 119.87 1xxe h ASP 230 Ca 0.46 -0.34 0.09 0.00 -0.62 0.00 0.00 57.03 56.62 1xxe h ASP 230 Cb 0.76 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.06 1xxe h ASP 230 CO -0.46 1.07 0.50 0.25 -3.12 0.00 0.00 179.24 177.48 1xxe h LEU 231 N 0.32 0.64 -0.04 1.55 5.85 0.28 -0.05 115.31 123.86 1xxe h LEU 231 Ca -0.03 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1xxe h LEU 231 Cb 1.27 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1xxe h LEU 231 CO 0.12 0.39 -0.12 0.40 -0.34 0.00 0.00 178.44 178.89 1xxe h ILE 232 N 0.71 1.46 -1.08 4.05 2.04 -1.11 -1.97 117.51 121.60 1xxe h ILE 232 Ca 0.35 -1.53 0.29 0.00 1.00 0.00 0.00 64.86 64.97 1xxe h ILE 232 Cb 0.42 2.37 -0.08 0.00 -0.74 0.00 0.00 36.82 38.79 1xxe h ILE 232 CO -0.13 0.42 0.72 1.23 0.00 0.00 0.00 178.15 180.39 1xxe h GLY 233 N -0.40 0.82 1.84 5.37 0.00 -0.75 0.73 103.07 110.68 1xxe h GLY 233 Ca -0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 47.00 1xxe h GLY 233 CO 0.03 -0.10 -0.98 -0.55 0.00 0.00 0.00 176.54 174.93 1xxe h ASP 234 N 0.25 0.00 1.83 0.19 5.19 -0.88 -3.23 116.42 119.78 1xxe h ASP 234 Ca 0.59 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.97 1xxe h ASP 234 Cb 1.77 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.27 1xxe h ASP 234 CO -0.21 0.86 -0.17 -0.07 -3.12 0.00 0.00 179.24 176.54 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.10 -2.98 115.31 117.36 1xxe h LEU 235 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xxe h LEU 235 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1xxe h LEU 235 CO 0.11 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1xxe n TYR 236 N -3.13 0.00 -0.16 1.13 9.36 0.13 -2.83 117.16 121.66 1xxe n TYR 236 Ca 0.03 0.00 0.29 0.00 3.32 0.00 0.00 57.90 61.54 1xxe n TYR 236 Cb 0.59 -0.46 0.72 0.00 -0.63 0.00 0.00 39.34 39.56 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 -1.00 2.98 3.38 -1.64 1.15 115.31 120.19 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 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xxe h LEU 237 CO 0.00 0.00 0.12 0.18 0.09 0.00 0.00 178.44 178.83 1xxe n LEU 238 N -4.06 0.39 -0.26 1.67 4.77 -1.13 -4.01 117.00 114.36 1xxe n LEU 238 Ca 0.18 0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 56.76 1xxe n LEU 238 Cb 1.00 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1xxe n LEU 238 CO 0.36 -0.76 -0.03 0.61 -1.33 0.00 0.00 177.39 176.23 1xxe n GLY 239 N -1.31 0.64 3.53 -0.72 0.00 0.40 -4.99 105.19 102.74 1xxe n GLY 239 Ca -0.01 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.56 -0.65 0.04 1.61 1.04 -1.25 -4.72 113.70 107.21 1xxe s SER 240 Ca 0.00 0.99 -0.38 0.00 0.48 0.00 0.00 55.95 57.04 1xxe s SER 240 Cb 0.00 0.94 -0.19 0.00 0.10 0.00 0.00 66.02 66.87 1xxe s SER 240 CO 0.00 -0.41 1.13 -2.65 0.98 0.00 0.00 173.24 172.29 1xxe n PRO 241 N 1.84 0.36 -3.84 4.02 -0.02 -1.26 -4.58 135.00 131.52 1xxe n PRO 241 Ca -0.17 0.13 -0.36 0.00 -2.02 0.00 0.00 63.50 61.08 1xxe n PRO 241 Cb 0.56 -1.65 -0.07 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.09 5.41 -0.10 -1.45 1.01 -1.26 -1.00 120.40 123.09 1xxe s VAL 242 Ca 0.87 0.18 0.03 0.00 0.00 0.00 0.00 61.98 63.06 1xxe s VAL 242 Cb -1.15 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 31.84 1xxe s VAL 242 CO 0.54 0.55 -0.18 -0.54 0.00 0.00 0.00 175.10 175.47 1xxe s LYS 243 N -0.45 2.43 0.00 2.72 -0.14 0.97 -4.56 119.74 120.71 1xxe s LYS 243 Ca 0.12 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 1xxe s LYS 243 Cb -0.12 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 1xxe s LYS 243 CO 0.02 0.03 0.00 0.41 -0.76 0.00 0.00 175.35 175.04 1xxe n GLY 244 N 3.92 1.64 3.49 -3.33 0.00 -1.03 -1.50 105.19 108.38 1xxe n GLY 244 Ca -0.20 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 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 3.30 0.06 1.61 2.20 0.16 -1.79 119.74 123.31 1xxe s LYS 245 Ca 0.00 -0.77 0.06 0.00 -0.36 0.00 0.00 55.97 54.89 1xxe s LYS 245 Cb 0.00 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1xxe s LYS 245 CO 0.00 -0.52 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.31 1xxe s PHE 246 N 1.68 2.77 0.03 4.03 0.40 -0.17 0.15 117.98 126.87 1xxe s PHE 246 Ca 0.05 -0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 1xxe s PHE 246 Cb -0.18 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 41.83 1xxe s PHE 246 CO 0.09 0.38 -0.15 -0.47 0.70 0.00 0.00 175.22 175.77 1xxe s TYR 247 N -1.09 1.34 -0.03 0.36 6.14 0.74 -0.55 117.35 124.25 1xxe s TYR 247 Ca 0.19 -0.33 -0.01 0.00 0.64 0.00 0.00 57.07 57.56 1xxe s TYR 247 Cb -0.11 -0.81 0.03 0.00 0.42 0.00 0.00 41.96 41.49 1xxe s TYR 247 CO 0.10 0.03 0.03 0.45 0.64 0.00 0.00 175.55 176.81 1xxe s SER 248 N -0.93 0.65 -0.30 4.32 0.15 0.19 -1.18 113.70 116.61 1xxe s SER 248 Ca 0.04 0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.67 1xxe s SER 248 Cb -0.07 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.11 1xxe s SER 248 CO 0.01 -0.18 0.05 0.12 1.20 0.00 0.00 173.24 174.44 1xxe s PHE 249 N 1.55 3.17 -1.26 3.44 5.36 0.04 0.04 117.98 130.33 1xxe s PHE 249 Ca -0.03 -1.27 -0.17 0.00 -0.96 0.00 0.00 56.93 54.50 1xxe s PHE 249 Cb -0.13 -2.21 0.01 0.00 -0.34 0.00 0.00 43.02 40.35 1xxe s PHE 249 CO -0.03 -0.66 0.61 0.54 -1.46 0.00 0.00 175.22 174.22 1xxe n ARG 250 N 4.80 -1.50 -3.33 10.12 5.12 -0.42 -2.17 116.66 129.28 1xxe n ARG 250 Ca -0.14 0.32 -0.32 0.00 -1.93 0.00 0.00 57.85 55.78 1xxe n ARG 250 Cb 0.47 -3.79 -0.05 0.00 -1.16 0.00 0.00 32.46 27.92 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 -3.79 2.25 0.53 -0.13 0.00 -1.26 -4.27 107.32 100.65 1xxe s GLY 251 Ca 0.32 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.83 1xxe s GLY 251 CO 0.91 -0.07 0.07 -0.32 0.00 0.00 0.00 173.10 173.68 1xxe s GLY 252 N -2.43 3.00 0.12 0.20 0.00 -1.26 -5.00 107.32 101.95 1xxe s GLY 252 Ca 0.49 -0.22 -0.14 0.00 0.00 0.00 0.00 44.72 44.85 1xxe s GLY 252 CO 0.21 -2.18 1.48 0.45 0.00 0.00 0.00 173.10 173.07 1xxe h HIS 253 N 1.18 0.88 -0.45 1.90 3.86 -1.96 -1.45 115.15 119.12 1xxe h HIS 253 Ca -0.43 -0.23 -0.06 0.00 -1.16 0.00 0.00 60.37 58.49 1xxe h HIS 253 Cb 1.33 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 1xxe h HIS 253 CO 1.56 0.97 0.02 1.03 0.86 0.00 0.00 177.93 182.37 1xxe h SER 254 N 0.54 0.69 0.06 2.45 0.87 -1.89 -1.87 113.55 114.40 1xxe h SER 254 Ca 0.07 -0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.30 1xxe h SER 254 Cb 0.75 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1xxe h SER 254 CO 0.06 0.75 -0.67 0.25 -0.53 0.00 0.00 176.83 176.69 1xxe h LEU 255 N 0.68 0.66 0.24 2.23 5.85 -1.93 -2.72 115.31 120.32 1xxe h LEU 255 Ca 0.14 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1xxe h LEU 255 Cb 0.40 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1xxe h LEU 255 CO 0.01 1.15 -0.11 0.78 -0.34 0.00 0.00 178.44 179.93 1xxe h ASN 256 N 0.41 -0.27 -0.70 1.25 2.35 -0.87 -1.91 115.58 115.84 1xxe h ASN 256 Ca -0.02 -0.02 0.12 0.00 -0.55 0.00 0.00 56.30 55.83 1xxe h ASN 256 Cb 1.24 0.07 -0.09 0.00 0.05 0.00 0.00 38.32 39.60 1xxe h ASN 256 CO 0.13 -0.16 0.28 0.58 -1.65 0.00 0.00 177.43 176.61 1xxe h VAL 257 N -0.36 0.71 -0.42 2.81 2.07 -1.35 -0.35 116.25 119.37 1xxe h VAL 257 Ca -0.03 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.39 1xxe h VAL 257 Cb 0.27 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1xxe h VAL 257 CO 0.05 0.08 0.11 0.50 0.02 0.00 0.00 177.57 178.34 1xxe h LYS 258 N 0.45 0.25 -0.69 1.57 3.64 -1.11 0.52 116.57 121.20 1xxe h LYS 258 Ca 0.37 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.86 1xxe h LYS 258 Cb 0.52 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.20 1xxe h LYS 258 CO -0.36 0.17 0.26 1.25 -2.27 0.00 0.00 179.45 178.50 1xxe h LEU 259 N 0.26 0.24 0.20 5.20 5.85 -0.30 -0.01 115.31 126.74 1xxe h LEU 259 Ca 0.20 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1xxe h LEU 259 Cb 0.23 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1xxe h LEU 259 CO -0.24 0.12 -0.09 0.58 -0.34 0.00 0.00 178.44 178.46 1xxe h VAL 260 N 0.42 0.90 -0.80 1.05 2.07 -0.48 -2.02 116.25 117.39 1xxe h VAL 260 Ca 0.36 -0.80 0.19 0.00 0.82 0.00 0.00 66.70 67.28 1xxe h VAL 260 Cb 0.50 1.34 -0.13 0.00 -1.52 0.00 0.00 31.29 31.49 1xxe h VAL 260 CO -0.36 0.17 0.14 0.11 0.02 0.00 0.00 177.57 177.64 1xxe h LYS 261 N -0.68 0.18 -0.09 1.57 1.57 0.63 0.55 116.57 120.30 1xxe h LYS 261 Ca -0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1xxe h LYS 261 Cb 0.48 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1xxe h LYS 261 CO 0.04 0.12 -0.06 0.93 -0.57 0.00 0.00 179.45 179.91 1xxe h GLU 262 N 0.19 0.20 -0.68 3.15 3.07 -1.01 -1.74 114.58 117.76 1xxe h GLU 262 Ca 0.47 -0.09 0.04 0.00 -0.50 0.00 0.00 59.36 59.27 1xxe h GLU 262 Cb 0.87 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.73 1xxe h GLU 262 CO -0.63 0.59 0.41 -0.07 -1.40 0.00 0.00 179.01 177.91 1xxe h LEU 263 N -0.19 0.65 -1.15 1.33 3.38 -0.34 0.79 115.31 119.78 1xxe h LEU 263 Ca 0.02 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1xxe h LEU 263 Cb 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1xxe h LEU 263 CO 0.02 0.44 -0.21 0.00 0.09 0.00 0.00 178.44 178.77 1xxe h ALA 264 N 1.31 1.29 0.00 1.53 0.00 0.09 -0.98 119.26 122.51 1xxe h ALA 264 Ca 0.28 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1xxe h ALA 264 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xxe h ALA 264 CO -0.13 0.47 -0.97 0.87 0.00 0.00 0.00 179.25 179.49 1xxe h LYS 265 N 0.30 0.00 -0.10 0.00 1.57 -0.39 -3.32 116.57 114.63 1xxe h LYS 265 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1xxe h LYS 265 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1xxe h LYS 265 CO 0.04 0.29 -0.24 0.87 -0.57 0.00 0.00 179.45 179.84 1xxe h LYS 266 N 0.00 0.34 -0.18 3.15 1.57 0.97 -2.82 116.57 119.60 1xxe h LYS 266 Ca -0.08 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1xxe h LYS 266 Cb 1.39 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1xxe h LYS 266 CO 0.04 0.84 0.00 1.04 -0.57 0.00 0.00 179.45 180.80 1xxe n GLN 267 N -4.49 0.70 0.08 3.15 1.13 -0.41 -3.79 117.38 113.75 1xxe n GLN 267 Ca -0.07 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.86 1xxe n GLN 267 Cb 0.44 -1.09 -0.07 0.00 0.11 0.00 0.00 30.24 29.63 1xxe n GLN 267 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1xxe h LYS 268 N 0.08 -0.13 0.00 -1.09 3.64 -1.59 -3.39 116.57 114.09 1xxe h LYS 268 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xxe h LYS 268 Cb 0.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1xxe h LYS 268 CO 0.00 -0.09 0.00 1.28 -2.27 0.00 0.00 179.45 178.37 1xxe n LEU 269 N -5.17 0.43 0.00 5.20 4.77 -1.25 -5.15 117.00 115.84 1xxe n LEU 269 Ca -0.07 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xxe n LEU 269 Cb 0.10 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1xxe n LEU 269 CO 0.32 -0.24 0.00 1.07 -1.33 0.00 0.00 177.39 177.21