#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxe n GLU 4 N 0.00 1.62 -5.10 3.23 4.71 0.17 -4.71 120.64 120.55 1xxe n GLU 4 Ca 0.00 0.57 -0.32 0.00 -0.01 0.00 0.00 57.16 57.40 1xxe n GLU 4 Cb 0.00 -2.10 -0.15 0.00 -1.01 0.00 0.00 31.44 28.18 1xxe n GLU 4 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1xxe s LYS 5 N -0.91 2.75 0.28 3.49 2.47 -1.26 -0.42 119.74 126.15 1xxe s LYS 5 Ca 0.65 -0.82 0.02 0.00 -1.56 0.00 0.00 55.97 54.26 1xxe s LYS 5 Cb -0.71 -2.31 -0.05 0.00 -1.46 0.00 0.00 37.83 33.31 1xxe s LYS 5 CO 0.55 0.37 0.10 -0.08 0.16 0.00 0.00 175.35 176.45 1xxe s THR 6 N -0.12 0.61 0.04 3.43 -1.32 -0.33 -2.27 115.64 115.68 1xxe s THR 6 Ca -0.04 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.16 1xxe s THR 6 Cb -0.14 -2.63 -0.05 0.00 -1.51 0.00 0.00 72.50 68.18 1xxe s THR 6 CO 0.04 0.00 0.89 0.68 -2.21 0.00 0.00 174.62 174.02 1xxe s VAL 7 N -3.65 4.73 0.08 5.08 -7.23 -1.26 0.92 120.40 119.07 1xxe s VAL 7 Ca 0.37 1.89 -0.22 0.00 -1.81 0.00 0.00 61.98 62.20 1xxe s VAL 7 Cb 0.07 -4.24 -0.13 0.00 0.56 0.00 0.00 36.38 32.65 1xxe s VAL 7 CO 0.14 0.27 1.67 0.50 -0.31 0.00 0.00 175.10 177.38 1xxe h LYS 8 N 6.10 0.11 -5.42 4.82 3.64 -0.37 -3.42 116.57 122.03 1xxe h LYS 8 Ca -0.42 -0.01 -0.41 0.00 -1.27 0.00 0.00 60.65 58.53 1xxe h LYS 8 Cb 1.21 -0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.85 1xxe h LYS 8 CO 0.73 0.17 -0.74 -1.83 -2.27 0.00 0.00 179.45 175.51 1xxe s GLU 9 N -5.83 1.17 0.35 1.90 -1.05 -1.26 -5.00 118.70 108.98 1xxe s GLU 9 Ca -0.13 -1.45 -0.29 0.00 -0.15 0.00 0.00 54.97 52.95 1xxe s GLU 9 Cb 0.06 -0.95 -0.12 0.00 -0.44 0.00 0.00 34.13 32.69 1xxe s GLU 9 CO 0.68 0.16 1.47 1.17 0.95 0.00 0.00 175.26 179.68 1xxe n LYS 10 N -0.04 2.54 -4.42 -4.83 0.00 -1.26 -4.90 118.16 105.24 1xxe n LYS 10 Ca -0.11 0.89 -0.21 0.00 0.00 0.00 0.00 58.31 58.88 1xxe n LYS 10 Cb 0.59 -2.60 -0.10 0.00 0.00 0.00 0.00 35.03 32.92 1xxe n LYS 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1xxe s LEU 11 N -1.41 2.56 -0.04 3.14 1.02 -0.79 -4.97 118.68 118.19 1xxe s LEU 11 Ca 0.57 -1.09 -0.28 0.00 0.02 0.00 0.00 54.13 53.35 1xxe s LEU 11 Cb -0.51 -0.81 0.06 0.00 0.02 0.00 0.00 46.19 44.96 1xxe s LEU 11 CO 0.60 -0.17 0.61 -0.94 0.02 0.00 0.00 176.35 176.46 1xxe s SER 12 N -3.43 -0.57 0.09 2.29 1.04 -1.26 -0.24 113.70 111.61 1xxe s SER 12 Ca 0.27 0.59 0.01 0.00 0.48 0.00 0.00 55.95 57.30 1xxe s SER 12 Cb -0.00 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1xxe s SER 12 CO 0.11 -0.58 -0.04 -0.36 0.98 0.00 0.00 173.24 173.35 1xxe s PHE 13 N -1.22 0.77 -0.10 5.02 0.08 -0.27 -4.96 117.98 117.29 1xxe s PHE 13 Ca -0.11 -0.99 -0.09 0.00 0.12 0.00 0.00 56.93 55.86 1xxe s PHE 13 Cb -0.01 -0.48 0.03 0.00 -0.57 0.00 0.00 43.02 41.99 1xxe s PHE 13 CO 0.09 -0.25 0.26 -1.83 -0.10 0.00 0.00 175.22 173.38 1xxe s GLU 14 N -3.88 0.29 0.00 0.44 -1.05 -1.26 -1.17 118.70 112.06 1xxe s GLU 14 Ca 0.11 0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.31 1xxe s GLU 14 Cb 0.06 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 1xxe s GLU 14 CO -0.06 -0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.51 1xxe n GLY 15 N 3.08 1.67 3.75 -3.83 0.00 -0.76 -4.96 105.19 104.14 1xxe n GLY 15 Ca -0.14 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 3.09 -0.03 1.61 0.11 -1.26 -2.17 120.40 119.74 1xxe s VAL 16 Ca 0.00 0.35 -0.12 0.00 -2.93 0.00 0.00 61.98 59.28 1xxe s VAL 16 Cb 0.00 -2.82 -0.05 0.00 -1.53 0.00 0.00 36.38 31.98 1xxe s VAL 16 CO 0.00 -0.46 0.33 -0.83 -3.33 0.00 0.00 175.10 170.81 1xxe s GLY 17 N -3.38 2.38 0.10 6.54 0.00 -0.59 -1.09 107.32 111.28 1xxe s GLY 17 Ca 0.62 -0.35 -0.26 0.00 0.00 0.00 0.00 44.72 44.73 1xxe s GLY 17 CO 0.56 -0.03 1.67 1.19 0.00 0.00 0.00 173.10 176.50 1xxe h ILE 18 N 3.73 0.63 0.13 0.90 2.10 -1.82 0.43 117.51 123.61 1xxe h ILE 18 Ca -0.52 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 65.08 1xxe h ILE 18 Cb 1.22 0.63 -0.01 0.00 -1.09 0.00 0.00 36.82 37.57 1xxe h ILE 18 CO 0.61 0.00 -1.73 0.45 -1.08 0.00 0.00 178.15 176.39 1xxe h HIS 19 N -0.35 0.51 -0.03 2.19 3.86 -1.89 2.53 115.15 121.97 1xxe h HIS 19 Ca 0.01 -0.37 -0.21 0.00 -1.16 0.00 0.00 60.37 58.64 1xxe h HIS 19 Cb 0.34 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 1xxe h HIS 19 CO -0.15 1.55 -0.86 1.15 0.86 0.00 0.00 177.93 180.48 1xxe h THR 20 N 0.08 1.40 -1.73 2.45 2.02 -1.93 -2.24 112.91 112.95 1xxe h THR 20 Ca -0.32 -2.35 -0.32 0.00 0.77 0.00 0.00 66.41 64.19 1xxe h THR 20 Cb 2.05 2.31 -0.05 0.00 -1.74 0.00 0.00 68.15 70.71 1xxe h THR 20 CO 0.14 0.70 -0.37 0.61 0.37 0.00 0.00 175.52 176.98 1xxe n GLY 21 N 0.80 0.37 3.51 2.16 0.00 0.15 -4.62 105.19 107.56 1xxe n GLY 21 Ca -0.06 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.28 1.86 0.08 1.61 0.41 -1.26 -4.75 118.70 112.36 1xxe s GLU 22 Ca 0.00 -1.27 -0.31 0.00 -0.41 0.00 0.00 54.97 52.98 1xxe s GLU 22 Cb 0.00 -2.09 -0.07 0.00 -1.78 0.00 0.00 34.13 30.20 1xxe s GLU 22 CO 0.00 0.45 1.30 -0.47 -0.49 0.00 0.00 175.26 176.04 1xxe s TYR 23 N -1.47 3.31 0.08 1.61 5.04 -1.26 -1.54 117.35 123.11 1xxe s TYR 23 Ca 0.21 1.11 0.02 0.00 -2.44 0.00 0.00 57.07 55.98 1xxe s TYR 23 Cb -0.09 -3.55 -0.04 0.00 0.35 0.00 0.00 41.96 38.63 1xxe s TYR 23 CO 0.12 -1.84 -0.07 0.45 -1.34 0.00 0.00 175.55 172.87 1xxe s SER 24 N 1.15 1.04 0.04 4.32 0.15 -0.92 -4.88 113.70 114.59 1xxe s SER 24 Ca 0.62 -0.84 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1xxe s SER 24 Cb -0.33 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1xxe s SER 24 CO 0.29 -0.37 -0.08 -0.75 1.20 0.00 0.00 173.24 173.53 1xxe s LYS 25 N -3.03 0.54 0.03 5.44 2.20 -0.89 -1.84 119.74 122.19 1xxe s LYS 25 Ca 0.04 -0.68 0.06 0.00 -0.36 0.00 0.00 55.97 55.04 1xxe s LYS 25 Cb -0.00 -0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 35.94 1xxe s LYS 25 CO -0.03 0.07 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.34 1xxe s LEU 26 N -1.34 2.14 -0.05 5.43 1.43 -0.32 -0.78 118.68 125.19 1xxe s LEU 26 Ca -0.07 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1xxe s LEU 26 Cb -0.09 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.25 1xxe s LEU 26 CO 0.00 0.15 -0.17 -0.63 0.23 0.00 0.00 176.35 175.94 1xxe s ILE 27 N -0.72 1.41 -0.11 -0.59 1.01 -0.15 -1.12 121.20 120.92 1xxe s ILE 27 Ca 0.06 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1xxe s ILE 27 Cb -0.08 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1xxe s ILE 27 CO 0.01 0.41 -0.18 -0.63 0.00 0.00 0.00 174.94 174.55 1xxe s ILE 28 N 0.16 2.60 0.14 2.92 1.01 0.66 0.53 121.20 129.21 1xxe s ILE 28 Ca -0.06 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.84 1xxe s ILE 28 Cb -0.12 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1xxe s ILE 28 CO 0.03 0.54 -0.18 -1.00 0.00 0.00 0.00 174.94 174.33 1xxe s HIS 29 N 0.32 1.71 0.68 3.97 3.76 -0.90 -1.89 115.29 122.95 1xxe s HIS 29 Ca -0.14 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.14 1xxe s HIS 29 Cb -0.17 -0.88 0.01 0.00 1.11 0.00 0.00 32.58 32.66 1xxe s HIS 29 CO 0.07 0.26 1.15 -1.25 -0.85 0.00 0.00 174.74 174.12 1xxe s PRO 30 N -2.58 2.57 0.17 8.40 0.04 -1.26 -1.90 135.00 140.44 1xxe s PRO 30 Ca 0.12 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1xxe s PRO 30 Cb -0.06 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1xxe s PRO 30 CO 0.05 -1.46 0.09 0.39 0.04 0.00 0.00 177.00 176.11 1xxe n GLU 31 N -2.45 0.59 -3.23 4.56 -0.58 -1.26 -4.72 120.64 113.54 1xxe n GLU 31 Ca 0.12 -1.54 -0.33 0.00 -0.42 0.00 0.00 57.16 54.99 1xxe n GLU 31 Cb 0.51 0.97 -0.06 0.00 -0.57 0.00 0.00 31.44 32.29 1xxe n GLU 31 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1xxe s LYS 32 N -2.67 3.96 0.65 3.49 2.20 -1.26 -4.94 119.74 121.16 1xxe s LYS 32 Ca 0.12 0.55 -0.17 0.00 -0.36 0.00 0.00 55.97 56.11 1xxe s LYS 32 Cb 0.01 -2.55 -0.08 0.00 -1.51 0.00 0.00 37.83 33.69 1xxe s LYS 32 CO 0.09 0.24 0.32 0.39 -0.36 0.00 0.00 175.35 176.02 1xxe n GLU 33 N -0.16 0.30 -1.65 4.03 4.71 -1.26 -1.41 120.64 125.19 1xxe n GLU 33 Ca 0.02 0.13 -0.21 0.00 -0.01 0.00 0.00 57.16 57.09 1xxe n GLU 33 Cb 0.53 -1.58 -0.08 0.00 -1.01 0.00 0.00 31.44 29.30 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 1.97 1.82 0.13 0.62 0.00 -1.26 -4.85 105.19 103.62 1xxe n GLY 34 Ca 0.09 0.00 -0.22 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 1.39 0.00 2.61 2.02 -1.42 -3.51 112.91 114.00 1xxe h THR 35 Ca -0.43 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.17 1xxe h THR 35 Cb 1.36 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 70.87 1xxe h THR 35 CO 0.62 0.75 0.00 0.61 0.37 0.00 0.00 175.52 177.87 1xxe n GLY 36 N 1.70 -2.23 3.61 2.16 0.00 0.97 -4.89 105.19 106.51 1xxe n GLY 36 Ca -0.16 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.21 5.31 0.02 -0.61 -1.09 -1.25 -2.26 121.20 121.11 1xxe s ILE 37 Ca 0.00 0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.65 1xxe s ILE 37 Cb 0.00 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1xxe s ILE 37 CO 0.00 0.27 -0.07 0.00 -1.23 0.00 0.00 174.94 173.91 1xxe s ARG 38 N 1.59 0.51 0.07 2.79 1.70 -1.04 -1.28 118.95 123.30 1xxe s ARG 38 Ca 0.08 -0.54 0.01 0.00 -0.47 0.00 0.00 55.73 54.81 1xxe s ARG 38 Cb -0.15 -0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 33.81 1xxe s ARG 38 CO 0.09 0.08 0.15 -0.06 -1.08 0.00 0.00 175.30 174.48 1xxe s PHE 39 N -0.87 3.36 -0.01 5.89 0.08 -0.70 -1.21 117.98 124.51 1xxe s PHE 39 Ca -0.05 0.17 0.03 0.00 0.12 0.00 0.00 56.93 57.20 1xxe s PHE 39 Cb -0.07 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1xxe s PHE 39 CO 0.00 0.56 -0.10 0.12 -0.10 0.00 0.00 175.22 175.70 1xxe s PHE 40 N -1.45 0.91 -0.26 0.36 2.19 -0.88 0.48 117.98 119.33 1xxe s PHE 40 Ca 0.32 -0.19 -0.26 0.00 0.33 0.00 0.00 56.93 57.13 1xxe s PHE 40 Cb -0.13 -0.61 0.12 0.00 -1.31 0.00 0.00 43.02 41.09 1xxe s PHE 40 CO 0.25 -0.04 0.99 0.21 1.83 0.00 0.00 175.22 178.46 1xxe s LYS 41 N -0.10 0.56 -1.30 10.12 2.20 -0.69 -1.29 119.74 129.24 1xxe s LYS 41 Ca 0.02 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1xxe s LYS 41 Cb -0.05 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1xxe s LYS 41 CO -0.00 -0.08 0.00 0.09 -0.36 0.00 0.00 175.35 175.00 1xxe n ASN 42 N 2.07 -4.50 -1.13 1.43 4.13 -1.26 -0.27 115.26 115.72 1xxe n ASN 42 Ca -0.12 0.14 -0.10 0.00 1.68 0.00 0.00 54.58 56.18 1xxe n ASN 42 Cb 0.56 -3.81 -0.00 0.00 -1.54 0.00 0.00 39.78 34.99 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xxe n GLY 43 N -0.84 -0.03 2.93 7.41 0.00 -1.26 -5.01 105.19 108.38 1xxe n GLY 43 Ca -0.18 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.50 0.90 0.07 1.61 1.01 0.63 -5.12 120.40 116.99 1xxe s VAL 44 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 1xxe s VAL 44 Cb -0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.42 1xxe s VAL 44 CO 0.00 0.32 0.60 -0.31 0.00 0.00 0.00 175.10 175.72 1xxe s TYR 45 N 1.24 3.80 -0.36 5.22 1.51 -1.26 -1.70 117.35 125.80 1xxe s TYR 45 Ca -0.05 1.31 -0.00 0.00 -1.01 0.00 0.00 57.07 57.32 1xxe s TYR 45 Cb -0.14 -2.55 0.12 0.00 -0.11 0.00 0.00 41.96 39.28 1xxe s TYR 45 CO -0.02 0.54 0.18 0.42 -1.11 0.00 0.00 175.55 175.55 1xxe s ILE 46 N -0.97 0.72 0.40 2.71 1.01 0.18 -4.96 121.20 120.30 1xxe s ILE 46 Ca 0.30 -1.76 -0.24 0.00 0.00 0.00 0.00 60.65 58.96 1xxe s ILE 46 Cb -0.20 -1.53 -0.12 0.00 0.01 0.00 0.00 42.46 40.63 1xxe s ILE 46 CO 0.20 -0.84 0.75 -2.65 0.00 0.00 0.00 174.94 172.40 1xxe n PRO 47 N 4.28 0.87 -3.17 2.79 -0.02 -1.26 -1.71 135.00 136.78 1xxe n PRO 47 Ca 0.05 0.32 -0.45 0.00 -2.02 0.00 0.00 63.50 61.39 1xxe n PRO 47 Cb 0.38 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 1xxe n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xxe s ALA 48 N -1.35 4.12 0.07 3.55 0.00 -0.40 -4.81 121.76 122.93 1xxe s ALA 48 Ca 0.63 -3.38 0.02 0.00 0.00 0.00 0.00 51.96 49.23 1xxe s ALA 48 Cb -0.61 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 18.71 1xxe s ALA 48 CO 0.57 -2.50 -0.07 1.03 0.00 0.00 0.00 175.76 174.79 1xxe s ARG 49 N 0.54 0.65 0.18 0.00 1.81 -1.26 -4.54 118.95 116.33 1xxe s ARG 49 Ca 0.30 -1.03 -0.16 0.00 -1.72 0.00 0.00 55.73 53.12 1xxe s ARG 49 Cb -0.07 -0.21 0.13 0.00 -0.45 0.00 0.00 34.95 34.35 1xxe s ARG 49 CO -0.07 0.01 1.65 1.12 -0.68 0.00 0.00 175.30 177.33 1xxe h HIS 50 N 3.77 -0.27 -1.45 -0.53 2.07 -1.92 0.35 115.15 117.17 1xxe h HIS 50 Ca -0.35 0.04 0.43 0.00 -2.85 0.00 0.00 60.37 57.64 1xxe h HIS 50 Cb 1.18 0.19 -0.09 0.00 2.57 0.00 0.00 27.41 31.27 1xxe h HIS 50 CO 0.62 -0.21 1.01 0.93 -3.07 0.00 0.00 177.93 177.20 1xxe h GLU 51 N -0.01 0.07 0.00 5.12 5.08 -1.96 2.73 114.58 125.60 1xxe h GLU 51 Ca 0.22 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xxe h GLU 51 Cb 0.35 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xxe h GLU 51 CO -0.48 0.04 0.00 1.19 -1.00 0.00 0.00 179.01 178.76 1xxe n PHE 52 N -4.31 0.00 -1.81 4.33 3.01 0.12 -4.80 117.46 114.00 1xxe n PHE 52 Ca 0.35 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.38 1xxe n PHE 52 Cb 1.50 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.94 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 -2.00 3.25 -0.10 -4.37 1.01 0.91 -2.98 120.40 116.12 1xxe s VAL 53 Ca 0.31 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.69 1xxe s VAL 53 Cb 0.14 -3.22 -0.14 0.00 0.00 0.00 0.00 36.38 33.17 1xxe s VAL 53 CO 0.24 -0.05 0.06 1.33 0.00 0.00 0.00 175.10 176.68 1xxe n VAL 54 N 5.93 0.70 -3.67 2.92 0.24 -1.00 -4.94 118.33 118.50 1xxe n VAL 54 Ca 0.20 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 1xxe n VAL 54 Cb 0.43 -0.63 -0.11 0.00 -1.47 0.00 0.00 33.84 32.06 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 -2.31 -0.61 -0.08 6.34 5.65 -1.20 -5.06 115.29 118.01 1xxe s HIS 55 Ca -0.05 1.26 0.01 0.00 0.25 0.00 0.00 55.06 56.53 1xxe s HIS 55 Cb 0.04 0.19 -0.02 0.00 -1.18 0.00 0.00 32.58 31.60 1xxe s HIS 55 CO 0.46 -0.39 -0.11 0.95 -0.65 0.00 0.00 174.74 175.00 1xxe s THR 56 N 2.14 3.35 0.00 0.89 -4.23 -1.26 -2.04 115.64 114.49 1xxe s THR 56 Ca -0.04 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1xxe s THR 56 Cb -0.11 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1xxe s THR 56 CO -0.11 0.57 0.00 -3.20 -0.54 0.00 0.00 174.62 171.34 1xxe n ASN 57 N 2.67 0.00 0.00 3.99 5.15 -1.26 -4.86 115.26 120.95 1xxe n ASN 57 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1xxe n ASN 57 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1xxe n ASN 57 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1xxe n HIS 58 N 0.00 0.00 -4.21 1.20 8.25 -1.26 -4.44 115.22 114.76 1xxe n HIS 58 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1xxe n HIS 58 Cb 0.00 -0.27 -0.10 0.00 1.12 0.00 0.00 29.99 30.74 1xxe n HIS 58 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xxe s SER 59 N -2.54 0.65 -0.24 0.41 0.15 -1.26 -4.98 113.70 105.89 1xxe s SER 59 Ca -0.00 -1.27 -0.07 0.00 0.70 0.00 0.00 55.95 55.31 1xxe s SER 59 Cb 0.00 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1xxe s SER 59 CO 0.00 -0.71 0.07 -0.89 1.20 0.00 0.00 173.24 172.91 1xxe s THR 60 N -3.92 4.44 -0.01 6.45 2.01 -1.26 -4.60 115.64 118.75 1xxe s THR 60 Ca 0.29 -0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.24 1xxe s THR 60 Cb 0.07 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 1xxe s THR 60 CO 0.06 0.36 -0.26 -1.81 -0.69 0.00 0.00 174.62 172.29 1xxe s ASP 61 N 1.37 3.03 0.18 3.53 1.01 -0.86 -1.81 116.67 123.12 1xxe s ASP 61 Ca 0.05 -0.49 0.10 0.00 0.71 0.00 0.00 52.55 52.92 1xxe s ASP 61 Cb -0.15 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.42 1xxe s ASP 61 CO 0.04 0.30 -0.20 -0.76 0.21 0.00 0.00 175.17 174.76 1xxe s LEU 62 N -0.73 2.44 -0.26 1.23 1.43 -0.44 -2.38 118.68 119.96 1xxe s LEU 62 Ca 0.10 -0.87 -0.26 0.00 -1.03 0.00 0.00 54.13 52.08 1xxe s LEU 62 Cb -0.10 -0.96 0.13 0.00 0.03 0.00 0.00 46.19 45.29 1xxe s LEU 62 CO -0.00 0.03 1.07 -0.83 0.23 0.00 0.00 176.35 176.84 1xxe s GLY 63 N -2.68 -0.12 0.01 -3.19 0.00 -1.16 0.51 107.32 100.69 1xxe s GLY 63 Ca 0.18 2.66 -0.07 0.00 0.00 0.00 0.00 44.72 47.49 1xxe s GLY 63 CO 0.08 1.72 0.12 -0.12 0.00 0.00 0.00 173.10 174.90 1xxe s PHE 64 N -0.01 0.07 -1.61 1.90 5.36 0.69 -4.80 117.98 119.59 1xxe s PHE 64 Ca 0.03 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 1xxe s PHE 64 Cb -0.04 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.57 1xxe s PHE 64 CO -0.06 -0.30 0.00 1.63 -1.46 0.00 0.00 175.22 175.04 1xxe n LYS 65 N 1.35 -1.77 -0.53 10.12 4.76 -1.26 -0.50 118.16 130.33 1xxe n LYS 65 Ca -0.22 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1xxe n LYS 65 Cb 0.56 -5.48 0.00 0.00 -1.84 0.00 0.00 35.03 28.27 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 -0.80 0.76 3.89 0.72 0.00 -1.26 -5.04 105.19 103.46 1xxe n GLY 66 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1xxe n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xxe s GLN 67 N -0.47 3.45 0.03 1.61 -1.52 0.35 -5.10 119.66 118.01 1xxe s GLN 67 Ca 0.00 -0.24 0.01 0.00 -1.95 0.00 0.00 55.36 53.18 1xxe s GLN 67 Cb 0.00 -3.13 -0.02 0.00 -0.22 0.00 0.00 33.01 29.64 1xxe s GLN 67 CO 0.00 0.71 -0.05 -0.98 -0.25 0.00 0.00 175.29 174.72 1xxe s ARG 68 N -1.62 0.39 -0.02 2.91 1.70 -1.26 -0.22 118.95 120.82 1xxe s ARG 68 Ca 0.23 -0.66 0.01 0.00 -0.47 0.00 0.00 55.73 54.85 1xxe s ARG 68 Cb -0.12 -0.04 0.01 0.00 -0.57 0.00 0.00 34.95 34.23 1xxe s ARG 68 CO 0.14 -0.01 -0.05 0.42 -1.08 0.00 0.00 175.30 174.72 1xxe s ILE 69 N -1.42 0.46 0.20 4.99 1.01 0.18 -4.80 121.20 121.81 1xxe s ILE 69 Ca -0.14 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1xxe s ILE 69 Cb -0.10 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 1xxe s ILE 69 CO -0.00 0.17 0.10 -0.54 0.00 0.00 0.00 174.94 174.66 1xxe s LYS 70 N 0.43 2.71 -0.81 2.79 1.02 -0.72 -1.33 119.74 123.82 1xxe s LYS 70 Ca -0.05 -1.03 -0.02 0.00 0.02 0.00 0.00 55.97 54.89 1xxe s LYS 70 Cb -0.09 -2.50 -0.00 0.00 -0.52 0.00 0.00 37.83 34.72 1xxe s LYS 70 CO -0.00 0.45 0.69 2.41 -0.92 0.00 0.00 175.35 177.97 1xxe n THR 71 N -0.51 -7.66 0.35 2.17 -1.04 -0.75 -2.25 114.28 104.59 1xxe n THR 71 Ca -0.08 -0.27 0.04 0.00 -2.04 0.00 0.00 64.05 61.69 1xxe n THR 71 Cb 0.56 -5.46 -0.01 0.00 -1.82 0.00 0.00 70.33 63.60 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 -2.30 0.00 -0.13 12.58 0.24 -0.93 -4.05 118.33 123.75 1xxe n VAL 72 Ca -0.11 -0.41 -0.11 0.00 -2.04 0.00 0.00 64.34 61.67 1xxe n VAL 72 Cb 0.57 1.08 0.02 0.00 -1.47 0.00 0.00 33.84 34.05 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 0.78 0.92 0.44 7.34 4.11 -1.87 -2.49 114.58 123.82 1xxe h GLU 73 Ca 0.00 -0.41 -0.01 0.00 0.07 0.00 0.00 59.36 59.01 1xxe h GLU 73 Cb 0.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1xxe h GLU 73 CO 0.00 1.07 -0.48 0.45 0.07 0.00 0.00 179.01 180.12 1xxe h HIS 74 N 0.78 -1.33 -0.68 2.06 3.86 -1.91 0.36 115.15 118.28 1xxe h HIS 74 Ca 0.09 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1xxe h HIS 74 Cb 0.83 0.52 -0.05 0.00 1.06 0.00 0.00 27.41 29.78 1xxe h HIS 74 CO 0.05 -0.63 0.41 0.97 0.86 0.00 0.00 177.93 179.60 1xxe h ILE 75 N -0.93 1.06 -0.70 2.45 6.09 -1.86 -0.59 117.51 123.02 1xxe h ILE 75 Ca -0.06 -0.27 0.07 0.00 -1.37 0.00 0.00 64.86 63.23 1xxe h ILE 75 Cb 0.81 0.19 -0.04 0.00 0.47 0.00 0.00 36.82 38.25 1xxe h ILE 75 CO -0.08 0.15 0.46 -0.07 -3.07 0.00 0.00 178.15 175.54 1xxe h LEU 76 N 0.79 0.61 0.02 2.19 3.38 -0.97 -1.30 115.31 120.03 1xxe h LEU 76 Ca 0.28 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1xxe h LEU 76 Cb 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xxe h LEU 76 CO -0.13 0.39 -0.01 -1.28 0.09 0.00 0.00 178.44 177.50 1xxe h SER 77 N 0.68 -0.03 0.00 -0.43 0.87 0.13 0.49 113.55 115.27 1xxe h SER 77 Ca 0.31 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1xxe h SER 77 Cb 0.32 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1xxe h SER 77 CO -0.10 0.09 -0.08 0.58 -0.53 0.00 0.00 176.83 176.79 1xxe h VAL 78 N -0.15 0.79 -0.68 2.23 2.07 -1.02 -1.83 116.25 117.66 1xxe h VAL 78 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1xxe h VAL 78 Cb 0.13 0.79 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 1xxe h VAL 78 CO 0.01 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.75 1xxe h LEU 79 N -0.15 0.17 -0.13 2.57 3.38 -1.07 -0.68 115.31 119.41 1xxe h LEU 79 Ca 0.03 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1xxe h LEU 79 Cb 0.19 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1xxe h LEU 79 CO -0.08 0.07 -0.14 -0.74 0.09 0.00 0.00 178.44 177.64 1xxe h HIS 80 N 0.37 -0.35 -0.58 1.13 2.76 -0.10 0.12 115.15 118.50 1xxe h HIS 80 Ca 0.37 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.51 1xxe h HIS 80 Cb 0.54 0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 1xxe h HIS 80 CO -0.20 -0.21 0.18 -0.07 -1.30 0.00 0.00 177.93 176.34 1xxe h LEU 81 N -0.17 0.80 -0.06 0.26 3.38 -0.64 -2.27 115.31 116.61 1xxe h LEU 81 Ca 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xxe h LEU 81 Cb 0.30 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xxe h LEU 81 CO -0.23 0.75 -0.07 0.18 0.09 0.00 0.00 178.44 179.16 1xxe n LEU 82 N -4.29 0.17 -3.05 1.67 4.77 -0.35 -4.94 117.00 110.97 1xxe n LEU 82 Ca 0.05 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1xxe n LEU 82 Cb 0.20 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1xxe n LEU 82 CO 0.40 0.03 0.07 -0.62 -1.33 0.00 0.00 177.39 175.94 1xxe n GLU 83 N -1.26 -4.20 -3.19 3.23 1.02 0.36 -4.97 120.64 111.64 1xxe n GLU 83 Ca 0.12 0.74 -0.39 0.00 -0.02 0.00 0.00 57.16 57.60 1xxe n GLU 83 Cb 0.28 -5.33 -0.06 0.00 -0.02 0.00 0.00 31.44 26.31 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 -3.32 5.09 -0.08 -3.67 -1.09 -1.00 -4.22 121.20 112.92 1xxe s ILE 84 Ca 0.16 1.12 0.10 0.00 -2.23 0.00 0.00 60.65 59.79 1xxe s ILE 84 Cb -0.02 -3.90 -0.14 0.00 -1.58 0.00 0.00 42.46 36.81 1xxe s ILE 84 CO 0.63 0.21 0.10 0.35 -1.23 0.00 0.00 174.94 175.00 1xxe n THR 85 N 4.23 0.49 -3.82 2.92 -2.24 -0.96 -4.87 114.28 110.02 1xxe n THR 85 Ca -0.04 -0.38 -0.28 0.00 -2.27 0.00 0.00 64.05 61.08 1xxe n THR 85 Cb 0.51 -0.42 -0.16 0.00 -2.10 0.00 0.00 70.33 68.15 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 -3.97 2.92 -0.28 3.42 0.01 -1.16 -0.02 114.94 115.86 1xxe s ASN 86 Ca -0.05 -0.76 -0.20 0.00 -0.71 0.00 0.00 52.86 51.14 1xxe s ASN 86 Cb 0.04 -0.78 0.10 0.00 0.41 0.00 0.00 41.25 41.02 1xxe s ASN 86 CO 0.44 -0.24 0.84 0.68 -1.51 0.00 0.00 177.10 177.31 1xxe s VAL 87 N 1.72 0.00 -0.44 1.60 -7.23 -0.96 -4.07 120.40 111.02 1xxe s VAL 87 Ca -0.01 0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 60.07 1xxe s VAL 87 Cb -0.16 -1.00 0.09 0.00 0.56 0.00 0.00 36.38 35.86 1xxe s VAL 87 CO -0.07 0.00 0.29 -0.89 -0.31 0.00 0.00 175.10 174.12 1xxe s THR 88 N 0.92 4.33 -0.55 5.32 2.01 -0.80 -2.49 115.64 124.39 1xxe s THR 88 Ca -0.04 -1.45 -0.20 0.00 0.31 0.00 0.00 61.69 60.31 1xxe s THR 88 Cb -0.05 -3.69 0.07 0.00 0.01 0.00 0.00 72.50 68.84 1xxe s THR 88 CO -0.10 -0.57 0.73 -0.63 -0.69 0.00 0.00 174.62 173.35 1xxe s ILE 89 N 1.43 4.72 -0.20 1.82 1.01 -0.35 -2.11 121.20 127.52 1xxe s ILE 89 Ca 0.04 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 1xxe s ILE 89 Cb -0.24 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1xxe s ILE 89 CO 0.02 -0.99 1.09 -1.61 0.00 0.00 0.00 174.94 173.46 1xxe s GLU 90 N 3.01 4.27 -0.42 2.79 2.02 0.19 -2.07 118.70 128.49 1xxe s GLU 90 Ca 0.18 1.44 -0.11 0.00 0.02 0.00 0.00 54.97 56.50 1xxe s GLU 90 Cb -0.19 -3.66 0.07 0.00 0.10 0.00 0.00 34.13 30.45 1xxe s GLU 90 CO 0.12 -0.63 0.27 0.08 0.02 0.00 0.00 175.26 175.13 1xxe s VAL 91 N 3.18 4.46 -0.46 2.63 1.01 -0.42 -0.98 120.40 129.82 1xxe s VAL 91 Ca 0.47 -1.25 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 1xxe s VAL 91 Cb -0.17 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1xxe s VAL 91 CO 0.09 -0.47 0.81 -0.63 0.00 0.00 0.00 175.10 174.90 1xxe s ILE 92 N 1.48 4.62 -3.07 2.22 1.09 0.04 -4.69 121.20 122.89 1xxe s ILE 92 Ca 0.03 0.46 0.00 0.00 -1.10 0.00 0.00 60.65 60.04 1xxe s ILE 92 Cb -0.23 -4.35 0.00 0.00 -1.06 0.00 0.00 42.46 36.83 1xxe s ILE 92 CO 0.04 -0.75 0.00 0.61 -0.10 0.00 0.00 174.94 174.74 1xxe n GLY 93 N 4.98 0.81 0.00 6.18 0.00 -1.26 -2.10 105.19 113.81 1xxe n GLY 93 Ca 0.03 -2.03 0.03 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 0.31 -3.70 1.61 4.13 -1.26 -5.00 115.26 111.35 1xxe n ASN 94 Ca 0.00 -0.63 -0.12 0.00 1.68 0.00 0.00 54.58 55.51 1xxe n ASN 94 Cb 0.00 1.00 -0.07 0.00 -1.54 0.00 0.00 39.78 39.18 1xxe n ASN 94 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1xxe s GLU 95 N -1.55 0.89 -0.04 3.52 1.03 -1.26 -1.76 118.70 119.53 1xxe s GLU 95 Ca 0.02 -0.45 -0.30 0.00 0.03 0.00 0.00 54.97 54.27 1xxe s GLU 95 Cb 0.04 0.39 -0.04 0.00 -0.80 0.00 0.00 34.13 33.73 1xxe s GLU 95 CO 0.23 -0.30 1.30 0.42 -1.33 0.00 0.00 175.26 175.58 1xxe s ILE 96 N -2.64 4.02 0.15 1.83 -1.09 -0.95 -4.82 121.20 117.69 1xxe s ILE 96 Ca -0.04 1.35 -0.33 0.00 -2.23 0.00 0.00 60.65 59.40 1xxe s ILE 96 Cb -0.00 -3.87 -0.17 0.00 -1.58 0.00 0.00 42.46 36.84 1xxe s ILE 96 CO -0.04 -0.02 1.06 -2.65 -1.23 0.00 0.00 174.94 172.06 1xxe n PRO 97 N 5.45 0.80 0.06 2.79 -0.02 -1.26 -4.63 135.00 138.20 1xxe n PRO 97 Ca 0.12 0.29 -0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1xxe n PRO 97 Cb 0.45 -1.71 -0.11 0.00 -0.02 0.00 0.00 33.50 32.11 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 2.49 1.60 0.00 4.25 6.09 -1.37 -3.48 117.51 127.09 1xxe h ILE 98 Ca -0.42 -3.28 0.00 0.00 -1.37 0.00 0.00 64.86 59.79 1xxe h ILE 98 Cb 1.37 2.79 0.00 0.00 0.47 0.00 0.00 36.82 41.45 1xxe h ILE 98 CO 0.67 0.91 0.00 0.18 -3.07 0.00 0.00 178.15 176.84 1xxe n LEU 99 N -3.32 0.00 0.15 2.19 4.77 -1.26 -1.37 117.00 118.16 1xxe n LEU 99 Ca -0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1xxe n LEU 99 Cb 0.92 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.06 1xxe n LEU 99 CO 0.46 0.00 0.49 -0.78 -1.33 0.00 0.00 177.39 176.23 1xxe h ASP 100 N 0.00 0.00 0.00 -1.43 3.58 -1.88 -3.39 116.42 113.30 1xxe h ASP 100 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xxe h ASP 100 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1xxe h ASP 100 CO 0.00 0.40 0.00 0.61 -2.88 0.00 0.00 179.24 177.37 1xxe n GLY 101 N 1.21 1.33 0.51 -0.78 0.00 -0.47 -4.15 105.19 102.85 1xxe n GLY 101 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 1.86 -0.36 1.61 3.41 -1.26 -1.31 113.62 117.57 1xxe n SER 102 Ca 0.00 -1.29 0.06 0.00 -0.26 0.00 0.00 58.87 57.37 1xxe n SER 102 Cb 0.00 0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.00 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 4.13 -0.17 0.32 5.00 0.00 -0.80 -4.60 105.19 109.08 1xxe n GLY 103 Ca -0.02 -0.34 0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 1.78 0.74 0.21 1.61 2.91 -1.73 0.29 115.95 121.76 1xxe h TRP 104 Ca 0.00 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1xxe h TRP 104 Cb 0.45 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 1xxe h TRP 104 CO 0.00 -0.10 -0.10 0.93 -1.03 0.00 0.00 178.44 178.14 1xxe h GLU 105 N 0.37 -0.27 -0.47 2.65 4.39 -1.89 0.71 114.58 120.07 1xxe h GLU 105 Ca 0.63 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.29 1xxe h GLU 105 Cb 1.28 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 1xxe h GLU 105 CO -0.57 -0.12 0.10 0.74 -1.16 0.00 0.00 179.01 178.01 1xxe h PHE 106 N -0.36 0.81 -0.53 4.33 0.04 -1.50 -2.11 116.94 117.63 1xxe h PHE 106 Ca -0.03 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 1xxe h PHE 106 Cb 0.28 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1xxe h PHE 106 CO -0.04 0.74 0.12 -0.92 -0.60 0.00 0.00 178.31 177.61 1xxe h TYR 107 N 0.65 0.83 0.15 -0.55 3.20 -0.34 -0.94 116.97 119.97 1xxe h TYR 107 Ca 0.15 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1xxe h TYR 107 Cb 0.35 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1xxe h TYR 107 CO 0.02 0.70 -0.07 0.93 -1.64 0.00 0.00 178.16 178.10 1xxe h GLU 108 N 0.78 -0.20 0.03 1.82 4.39 0.79 -1.85 114.58 120.33 1xxe h GLU 108 Ca 0.17 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1xxe h GLU 108 Cb 0.29 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1xxe h GLU 108 CO -0.00 0.18 -0.02 0.00 -1.16 0.00 0.00 179.01 178.01 1xxe h ALA 109 N 0.11 -0.05 -0.70 3.43 0.00 -1.38 -3.22 119.26 117.45 1xxe h ALA 109 Ca -0.02 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1xxe h ALA 109 Cb 0.47 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1xxe h ALA 109 CO 0.03 -0.21 0.45 0.82 0.00 0.00 0.00 179.25 180.35 1xxe h ILE 110 N -0.68 1.14 -0.69 0.00 2.04 -1.30 -1.33 117.51 116.68 1xxe h ILE 110 Ca -0.00 -0.31 0.18 0.00 1.00 0.00 0.00 64.86 65.72 1xxe h ILE 110 Cb 0.61 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1xxe h ILE 110 CO 0.01 0.16 0.49 -0.09 0.00 0.00 0.00 178.15 178.72 1xxe h ARG 111 N 0.90 0.14 -0.00 2.37 2.43 -1.41 0.66 114.38 119.47 1xxe h ARG 111 Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1xxe h ARG 111 Cb -0.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1xxe h ARG 111 CO -0.08 0.09 -0.25 1.17 -1.51 0.00 0.00 179.97 179.39 1xxe n LYS 112 N -4.39 0.35 -0.63 0.20 4.81 -0.54 -3.93 118.16 114.03 1xxe n LYS 112 Ca 0.14 -0.16 0.06 0.00 -0.87 0.00 0.00 58.31 57.48 1xxe n LYS 112 Cb 0.67 -1.50 0.17 0.00 0.02 0.00 0.00 35.03 34.39 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 -1.19 1.67 -4.83 3.14 4.13 0.22 -5.03 115.26 113.38 1xxe n ASN 113 Ca 0.10 -3.53 -0.34 0.00 1.68 0.00 0.00 54.58 52.49 1xxe n ASN 113 Cb 0.32 -0.48 -0.06 0.00 -1.54 0.00 0.00 39.78 38.02 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xxe s ILE 114 N -2.73 4.62 0.10 2.41 1.01 -0.73 0.31 121.20 126.19 1xxe s ILE 114 Ca 0.36 1.12 0.05 0.00 0.00 0.00 0.00 60.65 62.18 1xxe s ILE 114 Cb 0.35 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1xxe s ILE 114 CO -0.07 0.01 -0.12 -0.22 0.00 0.00 0.00 174.94 174.54 1xxe s LEU 115 N -2.47 2.37 -0.04 2.97 2.96 0.26 -4.47 118.68 120.26 1xxe s LEU 115 Ca 0.48 -0.76 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1xxe s LEU 115 Cb -0.13 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 1xxe s LEU 115 CO 0.19 -0.17 0.14 0.20 -1.32 0.00 0.00 176.35 175.38 1xxe s ASN 116 N -2.26 6.14 0.00 3.68 -0.87 -1.26 -1.18 114.94 119.19 1xxe s ASN 116 Ca 0.05 0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.66 1xxe s ASN 116 Cb -0.05 -1.90 0.00 0.00 -0.02 0.00 0.00 41.25 39.28 1xxe s ASN 116 CO 0.02 0.31 0.00 0.00 -2.57 0.00 0.00 177.10 174.86 1xxe n GLN 117 N 1.35 2.08 -3.38 -0.60 6.02 0.44 -4.87 117.38 118.42 1xxe n GLN 117 Ca -0.14 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.55 1xxe n GLN 117 Cb 0.53 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.73 1xxe n GLN 117 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1xxe n ASN 118 N -1.45 4.16 -3.59 1.08 5.15 -1.26 -4.65 115.26 114.70 1xxe n ASN 118 Ca 0.00 -3.43 -0.10 0.00 -0.60 0.00 0.00 54.58 50.45 1xxe n ASN 118 Cb 0.00 -0.77 -0.06 0.00 -0.53 0.00 0.00 39.78 38.42 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1xxe s ARG 119 N -2.47 0.59 0.03 1.20 3.52 -1.26 -4.97 118.95 115.58 1xxe s ARG 119 Ca 0.38 0.29 -0.23 0.00 -0.13 0.00 0.00 55.73 56.03 1xxe s ARG 119 Cb 0.12 0.28 -0.06 0.00 -1.56 0.00 0.00 34.95 33.73 1xxe s ARG 119 CO -0.00 -0.15 0.68 -2.00 -0.81 0.00 0.00 175.30 173.02 1xxe s GLU 120 N -0.71 4.41 0.39 5.12 2.12 -1.26 0.42 118.70 129.20 1xxe s GLU 120 Ca -0.01 0.91 -0.19 0.00 0.36 0.00 0.00 54.97 56.04 1xxe s GLU 120 Cb -0.02 -3.34 -0.10 0.00 0.26 0.00 0.00 34.13 30.92 1xxe s GLU 120 CO -0.00 0.35 0.89 0.42 -0.54 0.00 0.00 175.26 176.37 1xxe s ILE 121 N -0.20 4.47 -0.56 -3.70 1.01 -1.26 -4.76 121.20 116.19 1xxe s ILE 121 Ca 0.35 1.34 -0.18 0.00 0.00 0.00 0.00 60.65 62.17 1xxe s ILE 121 Cb -0.20 -3.62 0.11 0.00 0.01 0.00 0.00 42.46 38.77 1xxe s ILE 121 CO 0.20 -0.26 0.60 -0.62 0.00 0.00 0.00 174.94 174.86 1xxe s ASP 122 N -2.18 6.19 0.46 3.58 2.15 -1.26 -5.03 116.67 120.57 1xxe s ASP 122 Ca 0.59 -1.58 -0.23 0.00 0.43 0.00 0.00 52.55 51.77 1xxe s ASP 122 Cb -0.10 -2.26 -0.08 0.00 -0.30 0.00 0.00 42.92 40.19 1xxe s ASP 122 CO 0.15 -0.98 1.12 -0.31 -0.17 0.00 0.00 175.17 174.97 1xxe s TYR 123 N 2.17 2.97 -0.25 -5.34 2.02 -1.26 -4.73 117.35 112.92 1xxe s TYR 123 Ca 0.08 1.57 -0.14 0.00 -0.37 0.00 0.00 57.07 58.21 1xxe s TYR 123 Cb -0.27 -3.27 -0.04 0.00 -0.40 0.00 0.00 41.96 37.98 1xxe s TYR 123 CO 0.05 -1.21 0.32 0.12 -1.57 0.00 0.00 175.55 173.26 1xxe s PHE 124 N -1.65 3.28 -0.06 2.71 2.19 -0.37 -5.00 117.98 119.08 1xxe s PHE 124 Ca 0.63 0.38 0.06 0.00 0.33 0.00 0.00 56.93 58.33 1xxe s PHE 124 Cb -0.25 -2.49 -0.01 0.00 -1.31 0.00 0.00 43.02 38.97 1xxe s PHE 124 CO 0.30 -0.13 -0.24 0.08 1.83 0.00 0.00 175.22 177.06 1xxe s VAL 125 N 1.71 2.01 0.10 3.12 1.01 -1.26 0.33 120.40 127.41 1xxe s VAL 125 Ca 0.13 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1xxe s VAL 125 Cb -0.15 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1xxe s VAL 125 CO 0.09 0.56 1.01 -0.69 0.00 0.00 0.00 175.10 176.06 1xxe s VAL 126 N -0.14 4.44 -0.30 2.92 1.01 -0.73 -4.91 120.40 122.68 1xxe s VAL 126 Ca -0.04 1.95 0.07 0.00 0.00 0.00 0.00 61.98 63.96 1xxe s VAL 126 Cb -0.14 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 1xxe s VAL 126 CO 0.04 0.27 0.28 -0.62 0.00 0.00 0.00 175.10 175.06 1xxe n GLU 127 N 3.02 4.39 -3.86 2.72 -0.58 -1.26 -4.25 120.64 120.82 1xxe n GLU 127 Ca 0.04 -0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.65 1xxe n GLU 127 Cb 0.49 -0.85 -0.12 0.00 -0.57 0.00 0.00 31.44 30.39 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 -1.71 0.22 0.98 3.49 -1.05 -1.26 -4.84 118.70 114.53 1xxe s GLU 128 Ca 0.02 -0.07 -0.14 0.00 -0.15 0.00 0.00 54.97 54.63 1xxe s GLU 128 Cb 0.05 0.10 0.18 0.00 -0.44 0.00 0.00 34.13 34.02 1xxe s GLU 128 CO 0.28 -0.04 1.14 -1.25 0.95 0.00 0.00 175.26 176.34 1xxe s PRO 129 N -0.45 0.55 -0.23 -4.83 0.04 -1.26 -4.62 135.00 124.19 1xxe s PRO 129 Ca -0.05 0.22 -0.27 0.00 0.04 0.00 0.00 61.00 60.94 1xxe s PRO 129 Cb -0.03 -1.78 0.11 0.00 0.04 0.00 0.00 34.50 32.84 1xxe s PRO 129 CO 0.00 -2.59 0.93 -1.50 0.04 0.00 0.00 177.00 173.88 1xxe s ILE 130 N -3.22 0.00 -0.09 0.56 2.07 -0.90 -4.95 121.20 114.67 1xxe s ILE 130 Ca 0.66 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.91 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 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.83 1xxe s ILE 131 N -0.14 1.23 -0.17 2.00 1.09 -1.26 -1.15 121.20 122.80 1xxe s ILE 131 Ca 0.00 -0.48 0.01 0.00 -1.10 0.00 0.00 60.65 59.07 1xxe s ILE 131 Cb -0.04 -1.15 0.02 0.00 -1.06 0.00 0.00 42.46 40.23 1xxe s ILE 131 CO -0.02 0.39 -0.17 0.68 -0.10 0.00 0.00 174.94 175.72 1xxe s VAL 132 N 1.04 1.85 -0.06 2.92 -7.23 -0.66 -4.99 120.40 113.26 1xxe s VAL 132 Ca -0.07 -0.81 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1xxe s VAL 132 Cb -0.15 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 1xxe s VAL 132 CO -0.01 0.50 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.41 1xxe s GLU 133 N 1.37 2.63 -0.24 4.82 2.12 -1.26 -1.69 118.70 126.45 1xxe s GLU 133 Ca 0.05 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 54.34 1xxe s GLU 133 Cb -0.13 -2.35 0.16 0.00 0.26 0.00 0.00 34.13 32.07 1xxe s GLU 133 CO -0.12 0.50 1.21 0.34 -0.54 0.00 0.00 175.26 176.65 1xxe s ASP 134 N -0.43 -0.20 -1.70 -1.70 -1.08 -0.65 -4.96 116.67 105.95 1xxe s ASP 134 Ca 0.05 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 1xxe s ASP 134 Cb -0.12 0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.55 1xxe s ASP 134 CO 0.02 -0.16 0.00 -0.62 0.52 0.00 0.00 175.17 174.93 1xxe n GLU 135 N 0.87 -1.63 -1.00 4.34 1.02 -1.26 0.27 120.64 123.25 1xxe n GLU 135 Ca -0.06 0.95 -0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1xxe n GLU 135 Cb 0.58 -5.44 -0.00 0.00 -0.02 0.00 0.00 31.44 26.56 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 -0.62 0.43 3.82 0.62 0.00 -1.26 -5.01 105.19 103.17 1xxe n GLY 136 Ca -0.19 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.41 2.43 0.00 1.61 0.52 0.14 -4.98 118.95 118.27 1xxe s ARG 137 Ca 0.00 -1.63 -0.28 0.00 -0.52 0.00 0.00 55.73 53.30 1xxe s ARG 137 Cb 0.00 -2.24 0.07 0.00 0.52 0.00 0.00 34.95 33.30 1xxe s ARG 137 CO 0.00 -0.15 0.64 -1.17 0.02 0.00 0.00 175.30 174.65 1xxe s LEU 138 N -4.04 -0.56 -0.12 2.53 0.20 -1.04 -1.64 118.68 114.01 1xxe s LEU 138 Ca 0.45 0.52 -0.11 0.00 0.69 0.00 0.00 54.13 55.68 1xxe s LEU 138 Cb -0.01 2.49 0.03 0.00 -0.43 0.00 0.00 46.19 48.27 1xxe s LEU 138 CO 0.26 -0.69 0.31 -0.63 -0.29 0.00 0.00 176.35 175.32 1xxe s ILE 139 N -1.80 -0.00 0.01 6.68 1.01 -0.68 -1.04 121.20 125.38 1xxe s ILE 139 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1xxe s ILE 139 Cb -0.00 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 1xxe s ILE 139 CO 0.04 0.00 -0.16 -0.75 0.00 0.00 0.00 174.94 174.07 1xxe s LYS 140 N 0.18 1.18 0.05 2.79 2.20 -0.38 -1.66 119.74 124.11 1xxe s LYS 140 Ca -0.00 -0.69 0.09 0.00 -0.36 0.00 0.00 55.97 55.01 1xxe s LYS 140 Cb -0.02 -1.18 -0.03 0.00 -1.51 0.00 0.00 37.83 35.09 1xxe s LYS 140 CO 0.00 0.31 -0.25 0.00 -0.36 0.00 0.00 175.35 175.05 1xxe s ALA 141 N -0.59 2.16 -0.04 3.13 0.00 -0.30 -0.58 121.76 125.52 1xxe s ALA 141 Ca 0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 1xxe s ALA 141 Cb -0.07 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1xxe s ALA 141 CO 0.00 0.50 0.12 -2.00 0.00 0.00 0.00 175.76 174.38 1xxe s GLU 142 N -1.29 0.13 0.58 0.00 2.12 0.54 -2.12 118.70 118.65 1xxe s GLU 142 Ca 0.11 0.18 -0.20 0.00 0.36 0.00 0.00 54.97 55.42 1xxe s GLU 142 Cb -0.10 0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.28 1xxe s GLU 142 CO 0.02 -0.03 1.16 -0.35 -0.54 0.00 0.00 175.26 175.52 1xxe n PRO 143 N 3.15 1.23 -3.53 4.30 -0.04 -1.26 0.26 135.00 139.12 1xxe n PRO 143 Ca -0.14 0.47 -0.10 0.00 -0.04 0.00 0.00 63.50 63.69 1xxe n PRO 143 Cb 0.58 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 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 -1.12 -0.39 0.00 3.54 0.15 -1.26 -4.36 113.70 110.26 1xxe s SER 144 Ca 0.75 0.19 0.29 0.00 0.70 0.00 0.00 55.95 57.88 1xxe s SER 144 Cb -0.42 0.37 1.29 0.00 -1.71 0.00 0.00 66.02 65.55 1xxe s SER 144 CO 0.47 -0.53 1.88 -0.90 1.20 0.00 0.00 173.24 175.37 1xxe n ASP 145 N 0.17 1.07 -4.06 5.45 5.75 -1.26 -3.81 116.55 119.86 1xxe n ASP 145 Ca -0.10 -1.36 -0.12 0.00 -0.01 0.00 0.00 54.79 53.20 1xxe n ASP 145 Cb 0.60 -0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.58 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1xxe s THR 146 N -2.00 0.50 -0.31 2.12 -4.23 -1.26 -4.92 115.64 105.54 1xxe s THR 146 Ca 0.41 -1.10 -0.28 0.00 -1.18 0.00 0.00 61.69 59.54 1xxe s THR 146 Cb 0.21 -0.62 0.01 0.00 1.34 0.00 0.00 72.50 73.45 1xxe s THR 146 CO 0.34 -0.42 1.00 -0.22 -0.54 0.00 0.00 174.62 174.78 1xxe s LEU 147 N -1.63 3.99 -0.01 4.79 2.96 -1.26 -2.77 118.68 124.74 1xxe s LEU 147 Ca -0.10 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1xxe s LEU 147 Cb -0.09 -3.42 0.01 0.00 0.50 0.00 0.00 46.19 43.19 1xxe s LEU 147 CO -0.00 -0.80 -0.00 -0.70 -1.32 0.00 0.00 176.35 173.53 1xxe s GLU 148 N 3.43 0.16 -0.06 1.98 2.12 -0.65 -2.99 118.70 122.69 1xxe s GLU 148 Ca 0.42 0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.78 1xxe s GLU 148 Cb -0.13 -0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.02 1xxe s GLU 148 CO 0.14 -0.06 -0.02 0.08 -0.54 0.00 0.00 175.26 174.86 1xxe s VAL 149 N 0.50 0.49 -0.08 3.70 1.01 -0.84 -0.32 120.40 124.86 1xxe s VAL 149 Ca -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1xxe s VAL 149 Cb -0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1xxe s VAL 149 CO -0.01 0.25 -0.10 -0.89 0.00 0.00 0.00 175.10 174.35 1xxe s THR 150 N 1.45 3.39 -0.08 3.92 2.01 0.52 -1.00 115.64 125.85 1xxe s THR 150 Ca -0.03 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1xxe s THR 150 Cb -0.13 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 70.01 1xxe s THR 150 CO -0.03 0.58 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.85 1xxe s TYR 151 N -0.50 1.80 -0.38 4.92 5.04 -0.93 0.68 117.35 127.98 1xxe s TYR 151 Ca 0.07 -0.71 -0.04 0.00 -2.44 0.00 0.00 57.07 53.95 1xxe s TYR 151 Cb -0.12 -1.27 0.09 0.00 0.35 0.00 0.00 41.96 41.00 1xxe s TYR 151 CO 0.02 -0.33 0.17 -2.00 -1.34 0.00 0.00 175.55 172.06 1xxe s GLU 152 N 0.59 2.27 -0.09 4.97 2.12 0.92 -1.81 118.70 127.67 1xxe s GLU 152 Ca -0.15 -1.58 -0.07 0.00 0.36 0.00 0.00 54.97 53.52 1xxe s GLU 152 Cb -0.16 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 1xxe s GLU 152 CO 0.05 -0.92 0.18 0.20 -0.54 0.00 0.00 175.26 174.23 1xxe s GLY 153 N 1.74 2.20 -0.36 -1.50 0.00 -0.41 -1.35 107.32 107.65 1xxe s GLY 153 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1xxe s GLY 153 CO -0.02 -0.35 0.10 1.85 0.00 0.00 0.00 173.10 174.69 1xxe s GLU 154 N -1.14 1.84 -0.06 2.90 -6.30 -1.26 -1.37 118.70 113.30 1xxe s GLU 154 Ca 0.18 -1.76 -0.04 0.00 -2.50 0.00 0.00 54.97 50.84 1xxe s GLU 154 Cb -0.13 -3.35 -0.04 0.00 0.00 0.00 0.00 34.13 30.61 1xxe s GLU 154 CO 0.07 -0.95 0.14 -0.06 0.02 0.00 0.00 175.26 174.48 1xxe s PHE 155 N 1.05 3.52 -2.49 5.30 0.08 0.02 -4.95 117.98 120.51 1xxe s PHE 155 Ca 0.07 0.41 0.25 0.00 0.12 0.00 0.00 56.93 57.78 1xxe s PHE 155 Cb -0.21 -1.87 0.79 0.00 -0.57 0.00 0.00 43.02 41.17 1xxe s PHE 155 CO -0.05 0.67 1.59 1.63 -0.10 0.00 0.00 175.22 178.95 1xxe n LYS 156 N 1.50 1.84 -0.15 0.44 5.02 -1.26 -3.52 118.16 122.02 1xxe n LYS 156 Ca -0.16 -1.24 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1xxe n LYS 156 Cb 0.54 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.48 0.00 0.28 4.39 2.04 -1.26 -4.82 115.26 116.36 1xxe n ASN 157 Ca 0.17 -0.68 0.13 0.00 -0.44 0.00 0.00 54.58 53.77 1xxe n ASN 157 Cb 0.40 0.00 0.80 0.00 -2.53 0.00 0.00 39.78 38.45 1xxe n ASN 157 CO 0.00 0.00 0.00 2.19 -0.44 0.00 0.00 177.26 179.01 1xxe h PHE 158 N -0.53 0.00 0.00 -2.53 -0.00 -1.36 -1.28 116.94 111.24 1xxe h PHE 158 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.93 1xxe h PHE 158 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 1xxe h PHE 158 CO 0.00 0.07 -0.17 -0.07 -0.00 0.00 0.00 178.31 178.14 1xxe h LEU 159 N 0.00 0.00 0.00 2.10 3.38 -1.88 -3.47 115.31 115.44 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 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1xxe h LEU 159 CO 0.01 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1xxe n GLY 160 N -0.51 2.94 3.86 0.83 0.00 -0.49 -4.61 105.19 107.22 1xxe n GLY 160 Ca -0.01 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 3.82 -0.14 1.61 0.52 -1.26 -0.80 118.95 122.70 1xxe s ARG 161 Ca 0.00 0.26 -0.11 0.00 -0.52 0.00 0.00 55.73 55.36 1xxe s ARG 161 Cb 0.00 -2.98 0.04 0.00 0.52 0.00 0.00 34.95 32.53 1xxe s ARG 161 CO 0.00 0.54 0.37 -0.65 0.02 0.00 0.00 175.30 175.58 1xxe s GLN 162 N -1.91 0.40 0.08 3.54 -1.52 -0.47 -4.94 119.66 114.84 1xxe s GLN 162 Ca 0.34 0.57 0.08 0.00 -1.95 0.00 0.00 55.36 54.41 1xxe s GLN 162 Cb -0.14 0.13 -0.03 0.00 -0.22 0.00 0.00 33.01 32.75 1xxe s GLN 162 CO 0.18 -0.08 -0.22 -1.59 -0.25 0.00 0.00 175.29 173.33 1xxe s LYS 163 N 0.54 1.35 -0.05 2.91 -2.85 -1.26 -1.29 119.74 119.09 1xxe s LYS 163 Ca -0.03 -1.09 -0.01 0.00 -1.00 0.00 0.00 55.97 53.84 1xxe s LYS 163 Cb -0.04 -1.58 0.03 0.00 -2.06 0.00 0.00 37.83 34.17 1xxe s LYS 163 CO -0.03 0.39 0.00 0.12 0.10 0.00 0.00 175.35 175.93 1xxe s PHE 164 N -0.96 0.49 -0.26 1.78 5.36 -0.75 -4.99 117.98 118.67 1xxe s PHE 164 Ca 0.09 -0.07 -0.10 0.00 -0.96 0.00 0.00 56.93 55.89 1xxe s PHE 164 Cb -0.10 -0.63 -0.04 0.00 -0.34 0.00 0.00 43.02 41.91 1xxe s PHE 164 CO 0.03 -0.23 0.15 0.99 -1.46 0.00 0.00 175.22 174.70 1xxe s THR 165 N 1.58 5.06 -0.15 0.12 2.01 -1.26 -2.19 115.64 120.81 1xxe s THR 165 Ca -0.01 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.98 1xxe s THR 165 Cb -0.13 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1xxe s THR 165 CO -0.03 0.31 0.15 0.12 -0.69 0.00 0.00 174.62 174.48 1xxe s PHE 166 N 1.46 3.52 0.06 4.92 5.36 -0.17 -4.98 117.98 128.15 1xxe s PHE 166 Ca 0.07 0.47 0.03 0.00 -0.96 0.00 0.00 56.93 56.53 1xxe s PHE 166 Cb -0.15 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.44 1xxe s PHE 166 CO 0.07 0.53 -0.09 0.08 -1.46 0.00 0.00 175.22 174.35 1xxe s VAL 167 N -0.39 0.69 -0.24 3.12 1.01 -1.26 -1.99 120.40 121.35 1xxe s VAL 167 Ca 0.13 -1.25 -0.36 0.00 0.00 0.00 0.00 61.98 60.49 1xxe s VAL 167 Cb -0.12 -0.86 -0.13 0.00 0.00 0.00 0.00 36.38 35.28 1xxe s VAL 167 CO 0.02 -0.41 1.95 -0.62 0.00 0.00 0.00 175.10 176.03 1xxe n GLU 168 N 1.21 1.50 0.00 2.72 1.02 -1.16 -1.50 120.64 124.43 1xxe n GLU 168 Ca -0.21 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1xxe n GLU 168 Cb 0.55 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 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 5.07 1.26 1.13 0.62 0.00 -1.26 -4.97 105.19 107.04 1xxe n GLY 169 Ca 0.30 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 1.09 0.15 1.61 3.02 -0.56 -4.83 115.26 115.74 1xxe n ASN 170 Ca 0.00 -2.46 0.02 0.00 -0.03 0.00 0.00 54.58 52.11 1xxe n ASN 170 Cb 0.00 -0.34 0.37 0.00 -0.61 0.00 0.00 39.78 39.20 1xxe n ASN 170 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1xxe h GLU 171 N 0.84 0.12 0.00 3.52 3.07 -1.94 -2.50 114.58 117.69 1xxe h GLU 171 Ca -0.14 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1xxe h GLU 171 Cb 1.61 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.51 1xxe h GLU 171 CO 0.06 0.38 0.00 0.93 -1.40 0.00 0.00 179.01 178.98 1xxe h GLU 172 N 0.11 0.00 -0.01 2.33 4.39 -1.98 -0.67 114.58 118.75 1xxe h GLU 172 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1xxe h GLU 172 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1xxe h GLU 172 CO 0.04 0.00 -0.32 0.39 -1.16 0.00 0.00 179.01 177.96 1xxe n GLU 173 N -2.37 1.15 -0.04 2.33 -0.58 -0.94 -4.19 120.64 116.00 1xxe n GLU 173 Ca -0.01 -0.83 0.03 0.00 -0.42 0.00 0.00 57.16 55.93 1xxe n GLU 173 Cb 0.06 -1.48 0.05 0.00 -0.57 0.00 0.00 31.44 29.49 1xxe n GLU 173 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1xxe n ILE 174 N -0.20 1.23 -0.04 -3.67 -5.35 -0.27 -4.67 119.36 106.40 1xxe n ILE 174 Ca 0.12 -1.36 -0.01 0.00 -0.27 0.00 0.00 62.75 61.23 1xxe n ILE 174 Cb 0.41 0.27 -0.10 0.00 -1.74 0.00 0.00 39.64 38.49 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 -0.78 0.47 1.28 7.28 0.24 -1.17 -4.44 118.33 121.22 1xxe n VAL 175 Ca 0.05 -0.43 0.12 0.00 -2.04 0.00 0.00 64.34 62.05 1xxe n VAL 175 Cb 0.41 -0.29 0.41 0.00 -1.47 0.00 0.00 33.84 32.90 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 -2.24 1.80 -4.58 1.34 4.77 -1.26 -1.79 117.00 115.04 1xxe n LEU 176 Ca -0.12 -0.68 -0.43 0.00 -0.03 0.00 0.00 56.01 54.75 1xxe n LEU 176 Cb 0.66 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1xxe n LEU 176 CO 0.27 0.34 0.90 0.00 -1.33 0.00 0.00 177.39 177.57 1xxe s ALA 177 N -1.89 3.17 0.46 -1.18 0.00 -1.26 -4.88 121.76 116.18 1xxe s ALA 177 Ca 0.35 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 1xxe s ALA 177 Cb 0.20 -3.80 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 1xxe s ALA 177 CO 0.30 -2.23 0.90 -0.98 0.00 0.00 0.00 175.76 173.76 1xxe s ARG 178 N 4.19 3.96 0.83 0.00 1.70 -1.26 -4.48 118.95 123.89 1xxe s ARG 178 Ca 0.42 0.83 -0.14 0.00 -0.47 0.00 0.00 55.73 56.37 1xxe s ARG 178 Cb -0.09 -2.23 0.03 0.00 -0.57 0.00 0.00 34.95 32.09 1xxe s ARG 178 CO 0.28 -0.13 0.69 -2.37 -1.08 0.00 0.00 175.30 172.69 1xxe n THR 179 N -1.25 1.20 -4.21 4.99 5.66 -0.42 -4.81 114.28 115.43 1xxe n THR 179 Ca 0.05 -0.26 -0.13 0.00 -3.05 0.00 0.00 64.05 60.66 1xxe n THR 179 Cb 0.54 -0.83 -0.10 0.00 -1.55 0.00 0.00 70.33 68.39 1xxe n THR 179 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1xxe s PHE 180 N -2.16 1.22 0.17 1.09 -0.71 -1.26 -2.33 117.98 114.00 1xxe s PHE 180 Ca 0.65 -1.39 -0.20 0.00 -1.04 0.00 0.00 56.93 54.95 1xxe s PHE 180 Cb -0.28 -0.59 0.04 0.00 -1.21 0.00 0.00 43.02 40.99 1xxe s PHE 180 CO 0.59 -0.64 0.54 0.00 -1.34 0.00 0.00 175.22 174.37 1xxe s PHE 182 N -3.82 3.22 0.63 0.00 0.08 -1.26 -0.36 117.98 116.47 1xxe s PHE 182 Ca 0.05 0.18 0.39 0.00 0.12 0.00 0.00 56.93 57.67 1xxe s PHE 182 Cb -0.01 -1.73 2.21 0.00 -0.57 0.00 0.00 43.02 42.92 1xxe s PHE 182 CO -0.08 0.52 2.33 0.38 -0.10 0.00 0.00 175.22 178.28 1xxe h ASP 183 N 4.26 0.00 0.65 1.36 3.04 -1.83 -1.30 116.42 122.61 1xxe h ASP 183 Ca -0.49 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.03 1xxe h ASP 183 Cb 1.18 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.46 1xxe h ASP 183 CO 0.60 0.00 -1.30 4.11 -2.04 0.00 0.00 179.24 180.62 1xxe h TRP 184 N 0.00 0.36 0.00 4.15 0.09 -1.94 -3.31 115.95 115.30 1xxe h TRP 184 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 58.89 58.72 1xxe h TRP 184 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.24 1xxe h TRP 184 CO 0.00 1.24 -0.66 -0.85 0.09 0.00 0.00 178.44 178.26 1xxe n GLU 185 N -3.45 0.29 0.01 0.12 0.28 -0.84 -4.18 120.64 112.88 1xxe n GLU 185 Ca -0.09 0.08 -0.10 0.00 -0.16 0.00 0.00 57.16 56.89 1xxe n GLU 185 Cb 1.01 -1.68 -0.03 0.00 1.43 0.00 0.00 31.44 32.17 1xxe n GLU 185 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1xxe h ILE 186 N 0.00 0.58 -0.60 3.84 2.04 -1.35 -1.50 117.51 120.52 1xxe h ILE 186 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1xxe h ILE 186 Cb 0.74 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 1xxe h ILE 186 CO 0.00 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 177.92 1xxe h GLU 187 N -0.23 0.22 0.16 2.37 5.08 -1.75 0.18 114.58 120.61 1xxe h GLU 187 Ca 0.08 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1xxe h GLU 187 Cb 0.34 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1xxe h GLU 187 CO -0.23 0.14 -0.21 0.45 -1.00 0.00 0.00 179.01 178.17 1xxe h HIS 188 N 0.22 -0.55 -0.69 4.33 3.86 -1.60 0.86 115.15 121.57 1xxe h HIS 188 Ca 0.32 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.65 1xxe h HIS 188 Cb 0.48 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 1xxe h HIS 188 CO -0.27 -0.31 0.46 0.82 0.86 0.00 0.00 177.93 179.49 1xxe h ILE 189 N -0.42 0.86 0.00 2.45 2.04 -0.26 0.13 117.51 122.31 1xxe h ILE 189 Ca 0.01 -0.16 -0.18 0.00 1.00 0.00 0.00 64.86 65.54 1xxe h ILE 189 Cb 0.42 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1xxe h ILE 189 CO -0.09 0.08 -0.86 0.11 0.00 0.00 0.00 178.15 177.40 1xxe h LYS 190 N 0.45 0.01 0.00 2.37 1.79 0.88 -2.34 116.57 119.74 1xxe h LYS 190 Ca 0.33 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.76 1xxe h LYS 190 Cb 0.67 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1xxe h LYS 190 CO -0.10 0.86 -0.13 0.87 -1.08 0.00 0.00 179.45 179.87 1xxe h LYS 191 N 0.01 0.00 -0.54 3.15 1.57 0.34 -2.58 116.57 118.52 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 1.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.82 1xxe h LYS 191 CO 0.11 0.13 0.00 1.33 -0.57 0.00 0.00 179.45 180.45 1xxe n VAL 192 N -3.26 0.92 -1.97 0.50 0.24 -0.74 -4.88 118.33 109.14 1xxe n VAL 192 Ca 0.01 -0.66 -0.11 0.00 -2.04 0.00 0.00 64.34 61.54 1xxe n VAL 192 Cb 0.39 0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.82 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 0.92 0.27 3.43 7.63 0.00 -0.97 -5.02 105.19 111.44 1xxe n GLY 193 Ca 0.15 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.95 2.56 -0.13 0.99 1.43 -0.89 -4.75 118.68 114.95 1xxe s LEU 194 Ca 0.00 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1xxe s LEU 194 Cb 0.00 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1xxe s LEU 194 CO 0.00 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1xxe n GLY 195 N -0.43 0.34 0.28 -3.19 0.00 -1.25 -3.86 105.19 97.08 1xxe n GLY 195 Ca -0.07 -0.87 0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.18 -2.12 116.57 116.43 1xxe h LYS 196 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xxe h LYS 196 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1xxe h LYS 196 CO 0.04 0.02 -0.28 0.41 -0.57 0.00 0.00 179.45 179.07 1xxe n GLY 197 N -0.01 0.25 3.69 3.86 0.00 0.83 -4.64 105.19 109.17 1xxe n GLY 197 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.08 1.46 0.27 -0.02 0.00 0.03 -4.65 107.32 102.34 1xxe s GLY 198 Ca 0.19 1.30 0.03 0.00 0.00 0.00 0.00 44.72 46.25 1xxe s GLY 198 CO 0.42 3.03 0.19 -1.35 0.00 0.00 0.00 173.10 175.39 1xxe s SER 199 N 2.66 1.06 0.29 1.64 1.04 -1.26 -4.95 113.70 114.17 1xxe s SER 199 Ca 0.77 -1.57 0.26 0.00 0.48 0.00 0.00 55.95 55.89 1xxe s SER 199 Cb -0.42 0.44 0.88 0.00 0.10 0.00 0.00 66.02 67.02 1xxe s SER 199 CO 0.34 -0.93 1.76 -0.07 0.98 0.00 0.00 173.24 175.32 1xxe h LEU 200 N 2.34 0.00 0.00 2.42 3.38 -1.94 1.31 115.31 122.82 1xxe h LEU 200 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1xxe h LEU 200 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1xxe h LEU 200 CO 0.47 0.00 -0.73 0.50 0.09 0.00 0.00 178.44 178.76 1xxe h LYS 201 N 0.00 0.00 0.00 1.13 3.64 -1.95 -3.37 116.57 116.02 1xxe h LYS 201 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xxe h LYS 201 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1xxe h LYS 201 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1xxe n ASN 202 N -2.62 0.11 -3.84 4.20 4.13 -1.09 -4.57 115.26 111.58 1xxe n ASN 202 Ca 0.01 -0.47 -0.25 0.00 1.68 0.00 0.00 54.58 55.55 1xxe n ASN 202 Cb 0.52 0.66 -0.17 0.00 -1.54 0.00 0.00 39.78 39.25 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xxe s THR 203 N -0.66 0.71 -0.30 3.41 2.01 0.45 -4.00 115.64 117.26 1xxe s THR 203 Ca 0.00 -0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 1xxe s THR 203 Cb 0.00 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.71 1xxe s THR 203 CO 0.00 0.29 1.02 -0.22 -0.69 0.00 0.00 174.62 175.02 1xxe s LEU 204 N 1.83 3.98 -0.19 4.42 2.96 -0.99 -4.07 118.68 126.63 1xxe s LEU 204 Ca 0.05 1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 54.92 1xxe s LEU 204 Cb -0.13 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1xxe s LEU 204 CO -0.07 -0.81 0.05 -0.69 -1.32 0.00 0.00 176.35 173.52 1xxe s VAL 205 N 3.48 4.62 0.07 1.68 1.01 -1.26 0.25 120.40 130.23 1xxe s VAL 205 Ca 0.43 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1xxe s VAL 205 Cb -0.13 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1xxe s VAL 205 CO 0.14 0.44 -0.01 -0.76 0.00 0.00 0.00 175.10 174.91 1xxe s LEU 206 N 0.56 3.45 0.18 3.92 1.43 0.51 -2.28 118.68 126.44 1xxe s LEU 206 Ca 0.02 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1xxe s LEU 206 Cb -0.13 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1xxe s LEU 206 CO 0.01 0.20 0.16 -0.83 0.23 0.00 0.00 176.35 176.13 1xxe s GLY 207 N -2.08 1.64 0.49 -3.19 0.00 0.69 -2.32 107.32 102.55 1xxe s GLY 207 Ca 0.24 -1.25 0.38 0.00 0.00 0.00 0.00 44.72 44.09 1xxe s GLY 207 CO 0.16 -1.26 1.63 1.70 0.00 0.00 0.00 173.10 175.32 1xxe h LYS 208 N 2.19 0.05 0.00 2.90 3.64 -1.98 -2.64 116.57 120.72 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 1.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1xxe h LYS 208 CO 0.63 0.03 -0.19 -3.47 -2.27 0.00 0.00 179.45 174.18 1xxe n ASP 209 N -4.37 0.00 -3.89 4.20 -0.08 -1.26 -1.08 116.55 110.06 1xxe n ASP 209 Ca 0.38 -1.38 -0.10 0.00 -1.51 0.00 0.00 54.79 52.19 1xxe n ASP 209 Cb 1.61 -0.08 -0.09 0.00 2.34 0.00 0.00 41.12 44.91 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 0.57 -0.20 -0.67 2.20 -1.00 -4.98 119.74 115.67 1xxe s LYS 210 Ca 0.00 -0.61 -0.08 0.00 -0.36 0.00 0.00 55.97 54.92 1xxe s LYS 210 Cb 0.00 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 1xxe s LYS 210 CO 0.00 -0.15 0.08 0.08 -0.36 0.00 0.00 175.35 175.01 1xxe s VAL 211 N -2.19 4.87 -0.04 4.02 1.01 -1.26 0.25 120.40 127.07 1xxe s VAL 211 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 1xxe s VAL 211 Cb -0.03 -3.22 -0.16 0.00 0.00 0.00 0.00 36.38 32.97 1xxe s VAL 211 CO -0.02 0.43 0.99 1.88 0.00 0.00 0.00 175.10 178.38 1xxe h TYR 212 N 6.93 -0.22 -3.00 5.22 -1.99 -1.80 -3.44 116.97 118.67 1xxe h TYR 212 Ca -0.37 -0.01 -0.54 0.00 2.00 0.00 0.00 58.73 59.81 1xxe h TYR 212 Cb 1.17 0.07 0.08 0.00 2.00 0.00 0.00 36.73 40.05 1xxe h TYR 212 CO 0.59 0.21 0.86 0.09 -0.00 0.00 0.00 178.16 179.90 1xxe n ASN 213 N -4.96 3.67 0.00 3.88 3.02 -1.26 -4.85 115.26 114.76 1xxe n ASN 213 Ca -0.08 1.13 0.09 0.00 -0.03 0.00 0.00 54.58 55.68 1xxe n ASN 213 Cb 0.26 -1.55 0.43 0.00 -0.61 0.00 0.00 39.78 38.31 1xxe n ASN 213 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1xxe n PRO 214 N 2.57 0.12 0.00 3.52 -0.04 -1.26 -2.67 135.00 137.24 1xxe n PRO 214 Ca 0.11 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 1xxe n PRO 214 Cb 0.35 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.40 0.35 0.00 0.54 2.13 -1.26 -5.05 120.64 115.95 1xxe n GLU 215 Ca 0.06 -0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1xxe n GLU 215 Cb 0.18 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1xxe n GLU 215 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxe n GLY 216 N 1.43 -1.24 3.81 8.31 0.00 -1.09 -4.78 105.19 111.62 1xxe n GLY 216 Ca 0.09 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 4.26 0.30 0.99 1.43 -1.26 -4.96 118.68 119.44 1xxe s LEU 217 Ca 0.00 1.58 0.23 0.00 -1.03 0.00 0.00 54.13 54.90 1xxe s LEU 217 Cb 0.00 -3.90 0.13 0.00 0.03 0.00 0.00 46.19 42.45 1xxe s LEU 217 CO 0.00 -0.08 1.27 -0.09 0.23 0.00 0.00 176.35 177.68 1xxe h ARG 218 N 3.02 0.00 -3.09 1.70 2.43 -1.97 -3.45 114.38 113.02 1xxe h ARG 218 Ca -0.48 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.50 1xxe h ARG 218 Cb 1.19 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 30.45 1xxe h ARG 218 CO 0.65 0.01 -0.48 0.71 -1.51 0.00 0.00 179.97 179.34 1xxe s TYR 219 N -3.30 -0.29 0.29 2.20 2.02 -1.26 -4.95 117.35 112.07 1xxe s TYR 219 Ca 0.02 0.71 0.09 0.00 -0.37 0.00 0.00 57.07 57.52 1xxe s TYR 219 Cb 0.08 0.05 0.50 0.00 -0.40 0.00 0.00 41.96 42.18 1xxe s TYR 219 CO 0.74 -0.19 1.15 0.93 -1.57 0.00 0.00 175.55 176.61 1xxe h GLU 220 N 6.76 0.00 -0.20 -0.62 3.07 -2.04 1.09 114.58 122.64 1xxe h GLU 220 Ca -0.36 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.30 1xxe h GLU 220 Cb 1.17 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.78 1xxe h GLU 220 CO 0.38 0.00 -0.88 0.09 -1.40 0.00 0.00 179.01 177.20 1xxe n ASN 221 N -2.12 1.89 0.15 1.42 4.13 -1.26 -4.91 115.26 114.56 1xxe n ASN 221 Ca -0.01 -2.78 -0.15 0.00 1.68 0.00 0.00 54.58 53.33 1xxe n ASN 221 Cb 0.56 -0.41 -0.07 0.00 -1.54 0.00 0.00 39.78 38.32 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 1.51 -0.66 -0.96 3.52 4.81 0.88 0.14 114.58 123.81 1xxe h GLU 222 Ca -0.06 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 1xxe h GLU 222 Cb 1.47 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.92 1xxe h GLU 222 CO 0.19 -0.44 0.61 -1.00 -0.73 0.00 0.00 179.01 177.64 1xxe h PRO 223 N -0.68 0.85 0.00 0.92 0.13 -1.87 -0.24 132.00 131.10 1xxe h PRO 223 Ca 0.01 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 1xxe h PRO 223 Cb 0.68 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1xxe h PRO 223 CO -0.19 0.56 -0.64 -0.39 -0.23 0.00 0.00 178.00 177.11 1xxe h VAL 224 N 0.87 1.11 -0.63 1.56 -1.51 -1.87 -2.68 116.25 113.10 1xxe h VAL 224 Ca 0.48 -2.54 -0.06 0.00 -1.23 0.00 0.00 66.70 63.35 1xxe h VAL 224 Cb 0.60 2.53 -0.03 0.00 -2.13 0.00 0.00 31.29 32.26 1xxe h VAL 224 CO -0.25 0.63 0.14 0.03 -1.23 0.00 0.00 177.57 176.89 1xxe h ARG 225 N 0.00 1.01 -0.44 5.19 3.08 0.96 -1.36 114.38 122.83 1xxe h ARG 225 Ca -0.01 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 1xxe h ARG 225 Cb 1.48 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.38 1xxe h ARG 225 CO 0.08 0.92 0.06 1.25 -1.07 0.00 0.00 179.97 181.21 1xxe h HIS 226 N 0.93 0.78 -0.32 3.04 2.76 -1.17 -0.40 115.15 120.78 1xxe h HIS 226 Ca 0.20 -0.12 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 1xxe h HIS 226 Cb 0.37 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1xxe h HIS 226 CO 0.03 0.75 0.07 -0.22 -1.30 0.00 0.00 177.93 177.26 1xxe h LYS 227 N 0.59 0.18 -0.68 5.26 1.63 -1.11 0.36 116.57 122.80 1xxe h LYS 227 Ca 0.13 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1xxe h LYS 227 Cb 0.40 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 1xxe h LYS 227 CO 0.01 0.12 0.40 0.28 -3.45 0.00 0.00 179.45 176.81 1xxe h VAL 228 N 0.18 1.20 -0.94 2.00 2.07 -1.05 0.23 116.25 119.95 1xxe h VAL 228 Ca 0.15 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1xxe h VAL 228 Cb 0.16 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1xxe h VAL 228 CO -0.19 0.21 0.62 0.15 0.02 0.00 0.00 177.57 178.38 1xxe h PHE 229 N 0.93 1.14 -0.17 1.57 3.57 0.18 -1.91 116.94 122.26 1xxe h PHE 229 Ca 0.24 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.56 1xxe h PHE 229 Cb -0.01 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.35 1xxe h PHE 229 CO -0.01 0.66 -0.73 -0.44 -2.23 0.00 0.00 178.31 175.56 1xxe h ASP 230 N 1.18 0.92 -0.76 0.41 5.19 0.69 -2.57 116.42 121.47 1xxe h ASP 230 Ca 0.37 -0.58 0.09 0.00 -0.62 0.00 0.00 57.03 56.29 1xxe h ASP 230 Cb 0.01 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 39.20 1xxe h ASP 230 CO -0.11 1.38 0.50 0.25 -3.12 0.00 0.00 179.24 178.13 1xxe h LEU 231 N 0.55 0.65 -0.06 1.55 5.85 0.17 -1.01 115.31 123.01 1xxe h LEU 231 Ca -0.04 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1xxe h LEU 231 Cb 1.35 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1xxe h LEU 231 CO 0.15 0.40 -0.08 0.40 -0.34 0.00 0.00 178.44 178.97 1xxe h ILE 232 N 0.72 1.40 -1.02 4.05 2.04 -1.31 -1.90 117.51 121.49 1xxe h ILE 232 Ca 0.35 -1.32 0.27 0.00 1.00 0.00 0.00 64.86 65.16 1xxe h ILE 232 Cb 0.39 2.15 -0.07 0.00 -0.74 0.00 0.00 36.82 38.56 1xxe h ILE 232 CO -0.13 0.36 0.70 1.23 0.00 0.00 0.00 178.15 180.31 1xxe h GLY 233 N -0.32 0.61 1.76 5.37 0.00 -0.83 0.58 103.07 110.23 1xxe h GLY 233 Ca 0.01 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 1xxe h GLY 233 CO 0.02 -0.05 -0.85 -0.55 0.00 0.00 0.00 176.54 175.10 1xxe h ASP 234 N 0.22 0.00 1.64 0.19 5.19 -0.99 -3.28 116.42 119.39 1xxe h ASP 234 Ca 0.53 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.87 1xxe h ASP 234 Cb 1.68 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.18 1xxe h ASP 234 CO -0.15 0.66 -0.36 -0.07 -3.12 0.00 0.00 179.24 176.20 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.87 -3.10 115.31 118.00 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 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1xxe h LEU 235 CO 0.08 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.93 1xxe n TYR 236 N -3.16 0.00 -0.02 1.13 9.36 0.11 -2.78 117.16 121.80 1xxe n TYR 236 Ca 0.02 0.00 0.23 0.00 3.32 0.00 0.00 57.90 61.47 1xxe n TYR 236 Cb 0.66 -0.43 0.72 0.00 -0.63 0.00 0.00 39.34 39.67 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 -1.02 2.98 3.38 -1.68 1.13 115.31 120.10 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 0.09 0.18 0.09 0.00 0.00 178.44 178.80 1xxe n LEU 238 N -4.03 0.40 -0.05 1.67 4.77 -1.12 -3.19 117.00 115.44 1xxe n LEU 238 Ca 0.12 0.65 -0.01 0.00 -0.03 0.00 0.00 56.01 56.73 1xxe n LEU 238 Cb 0.74 -0.67 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1xxe n LEU 238 CO 0.33 -0.78 -0.01 0.61 -1.33 0.00 0.00 177.39 176.21 1xxe n GLY 239 N -1.32 0.48 3.55 -0.72 0.00 0.39 -4.99 105.19 102.57 1xxe n GLY 239 Ca -0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.48 -0.67 0.00 1.61 1.04 -1.25 -4.88 113.70 107.07 1xxe s SER 240 Ca 0.00 1.04 -0.39 0.00 0.48 0.00 0.00 55.95 57.08 1xxe s SER 240 Cb 0.00 0.99 -0.19 0.00 0.10 0.00 0.00 66.02 66.92 1xxe s SER 240 CO 0.00 -0.40 1.21 -2.65 0.98 0.00 0.00 173.24 172.38 1xxe n PRO 241 N 1.89 0.47 -3.61 4.02 -0.02 -1.26 -4.59 135.00 131.90 1xxe n PRO 241 Ca -0.16 0.17 -0.37 0.00 -2.02 0.00 0.00 63.50 61.12 1xxe n PRO 241 Cb 0.56 -1.73 -0.07 0.00 -0.02 0.00 0.00 33.50 32.24 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 0.41 5.28 -0.14 -1.45 1.01 -1.26 -1.24 120.40 123.01 1xxe s VAL 242 Ca 0.89 0.55 0.03 0.00 0.00 0.00 0.00 61.98 63.45 1xxe s VAL 242 Cb -1.15 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 31.64 1xxe s VAL 242 CO 0.54 0.50 -0.22 -0.54 0.00 0.00 0.00 175.10 175.38 1xxe s LYS 243 N -0.33 3.00 0.00 2.72 -0.14 0.15 -4.61 119.74 120.53 1xxe s LYS 243 Ca 0.18 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 1xxe s LYS 243 Cb -0.14 -2.41 0.00 0.00 -1.68 0.00 0.00 37.83 33.60 1xxe s LYS 243 CO 0.07 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.06 1xxe n GLY 244 N 4.05 1.64 3.44 -3.33 0.00 -1.11 -1.77 105.19 108.10 1xxe n GLY 244 Ca -0.20 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.99 3.09 0.05 1.61 2.20 0.14 -1.63 119.74 123.21 1xxe s LYS 245 Ca 0.00 -0.91 0.06 0.00 -0.36 0.00 0.00 55.97 54.76 1xxe s LYS 245 Cb 0.00 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1xxe s LYS 245 CO 0.00 -0.60 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.23 1xxe s PHE 246 N 1.62 2.77 0.02 4.03 0.40 0.56 -0.34 117.98 127.04 1xxe s PHE 246 Ca 0.04 -0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.29 1xxe s PHE 246 Cb -0.18 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 1xxe s PHE 246 CO 0.08 0.37 -0.15 -0.47 0.70 0.00 0.00 175.22 175.75 1xxe s TYR 247 N -1.08 1.36 -0.04 0.36 6.14 0.25 -0.36 117.35 123.99 1xxe s TYR 247 Ca 0.18 -0.31 -0.01 0.00 0.64 0.00 0.00 57.07 57.58 1xxe s TYR 247 Cb -0.11 -0.84 0.03 0.00 0.42 0.00 0.00 41.96 41.46 1xxe s TYR 247 CO 0.10 0.02 0.03 -1.12 0.64 0.00 0.00 175.55 175.21 1xxe s SER 248 N -0.79 0.70 -0.28 4.32 0.01 0.21 -1.24 113.70 116.63 1xxe s SER 248 Ca 0.04 0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.26 1xxe s SER 248 Cb -0.07 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.98 1xxe s SER 248 CO 0.01 -0.16 0.05 0.12 0.41 0.00 0.00 173.24 173.66 1xxe s PHE 249 N 1.50 3.12 -1.30 2.43 5.36 -0.21 -0.06 117.98 128.82 1xxe s PHE 249 Ca -0.03 -1.08 -0.18 0.00 -0.96 0.00 0.00 56.93 54.68 1xxe s PHE 249 Cb -0.13 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.36 1xxe s PHE 249 CO -0.03 -0.60 0.52 0.54 -1.46 0.00 0.00 175.22 174.19 1xxe n ARG 250 N 4.83 -1.19 -3.20 10.12 1.74 -0.45 -2.50 116.66 126.01 1xxe n ARG 250 Ca -0.15 0.23 -0.27 0.00 -0.77 0.00 0.00 57.85 56.89 1xxe n ARG 250 Cb 0.48 -3.48 -0.02 0.00 -1.02 0.00 0.00 32.46 28.42 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 -3.86 1.59 0.08 -0.13 0.00 -1.26 -4.37 107.32 99.37 1xxe s GLY 251 Ca 0.30 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1xxe s GLY 251 CO 0.94 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.08 1xxe n GLY 252 N -1.54 4.09 0.09 0.20 0.00 -1.26 -5.00 105.19 101.77 1xxe n GLY 252 Ca -0.02 -2.23 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 1xxe n GLY 252 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xxe h HIS 253 N 1.04 -0.07 0.23 1.61 3.86 -1.94 -2.19 115.15 117.69 1xxe h HIS 253 Ca -0.07 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1xxe h HIS 253 Cb 0.21 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1xxe h HIS 253 CO 0.00 0.55 -0.34 0.77 0.86 0.00 0.00 177.93 179.77 1xxe h SER 254 N -0.82 -0.95 -0.82 2.45 0.02 -1.89 0.10 113.55 111.65 1xxe h SER 254 Ca -0.01 0.10 0.11 0.00 -0.84 0.00 0.00 61.79 61.15 1xxe h SER 254 Cb 0.65 0.34 -0.08 0.00 0.14 0.00 0.00 62.40 63.45 1xxe h SER 254 CO 0.01 -0.45 0.45 0.25 -1.14 0.00 0.00 176.83 175.95 1xxe h LEU 255 N -0.63 0.61 0.47 5.07 5.85 -1.98 0.42 115.31 125.12 1xxe h LEU 255 Ca 0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1xxe h LEU 255 Cb 0.62 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1xxe h LEU 255 CO -0.13 0.33 -0.27 0.78 -0.34 0.00 0.00 178.44 178.81 1xxe h ASN 256 N 0.73 -0.66 -0.99 1.25 2.35 -0.67 -1.79 115.58 115.80 1xxe h ASN 256 Ca 0.41 0.03 0.17 0.00 -0.55 0.00 0.00 56.30 56.37 1xxe h ASN 256 Cb 0.45 0.19 -0.10 0.00 0.05 0.00 0.00 38.32 38.91 1xxe h ASN 256 CO -0.28 -0.43 0.62 0.58 -1.65 0.00 0.00 177.43 176.26 1xxe h VAL 257 N -0.69 0.76 -0.43 2.81 2.07 -0.02 0.47 116.25 121.22 1xxe h VAL 257 Ca -0.06 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1xxe h VAL 257 Cb 0.56 -0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 1xxe h VAL 257 CO 0.07 0.14 0.09 0.50 0.02 0.00 0.00 177.57 178.39 1xxe h LYS 258 N 0.79 0.22 -0.36 1.57 3.64 -0.10 0.45 116.57 122.77 1xxe h LYS 258 Ca 0.54 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.98 1xxe h LYS 258 Cb 0.82 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 1xxe h LYS 258 CO -0.32 0.14 -0.10 1.25 -2.27 0.00 0.00 179.45 178.15 1xxe h LEU 259 N 0.22 -0.36 -0.72 5.20 5.85 -0.35 0.19 115.31 125.35 1xxe h LEU 259 Ca 0.21 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1xxe h LEU 259 Cb 0.26 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1xxe h LEU 259 CO -0.27 -0.13 0.41 0.58 -0.34 0.00 0.00 178.44 178.69 1xxe h VAL 260 N -0.01 1.21 0.05 1.05 2.07 -0.77 -0.14 116.25 119.72 1xxe h VAL 260 Ca 0.17 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1xxe h VAL 260 Cb 0.28 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1xxe h VAL 260 CO -0.37 0.23 -0.15 0.50 0.02 0.00 0.00 177.57 177.79 1xxe h LYS 261 N 0.98 -0.27 -0.66 1.57 1.63 0.15 0.30 116.57 120.27 1xxe h LYS 261 Ca 0.25 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 1xxe h LYS 261 Cb 0.00 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 1xxe h LYS 261 CO -0.04 -0.18 0.16 0.93 -3.45 0.00 0.00 179.45 176.86 1xxe h GLU 262 N -0.28 1.05 -0.36 1.90 4.39 -0.82 0.11 114.58 120.58 1xxe h GLU 262 Ca 0.03 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1xxe h GLU 262 Cb 0.31 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1xxe h GLU 262 CO -0.11 0.95 0.19 -0.07 -1.16 0.00 0.00 179.01 178.80 1xxe h LEU 263 N 0.98 0.45 -0.77 1.33 3.38 -0.55 0.82 115.31 120.95 1xxe h LEU 263 Ca 0.21 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 263 Cb 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1xxe h LEU 263 CO 0.00 0.43 -0.50 0.00 0.09 0.00 0.00 178.44 178.46 1xxe h ALA 264 N 1.05 0.94 0.00 1.53 0.00 -0.21 -1.99 119.26 120.58 1xxe h ALA 264 Ca 0.12 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 1xxe h ALA 264 Cb 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xxe h ALA 264 CO -0.02 0.62 -1.24 0.87 0.00 0.00 0.00 179.25 179.49 1xxe h LYS 265 N 0.00 0.00 -0.04 0.00 1.57 -0.42 -3.24 116.57 114.43 1xxe h LYS 265 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1xxe h LYS 265 Cb 1.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.35 1xxe h LYS 265 CO 0.06 0.42 -0.34 0.87 -0.57 0.00 0.00 179.45 179.90 1xxe h LYS 266 N 0.00 0.30 -0.27 3.15 1.57 0.76 -2.97 116.57 119.11 1xxe h LYS 266 Ca -0.14 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1xxe h LYS 266 Cb 1.62 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.99 1xxe h LYS 266 CO 0.06 0.93 0.00 1.04 -0.57 0.00 0.00 179.45 180.91 1xxe n GLN 267 N -4.42 0.91 0.05 3.15 3.00 -0.76 -3.79 117.38 115.51 1xxe n GLN 267 Ca -0.09 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.94 1xxe n GLN 267 Cb 0.52 -1.13 0.45 0.00 0.00 0.00 0.00 30.24 30.08 1xxe n GLN 267 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1xxe h LYS 268 N 0.03 0.43 0.00 -1.09 3.64 -1.54 -0.89 116.57 117.15 1xxe h LYS 268 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1xxe h LYS 268 Cb 0.13 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1xxe h LYS 268 CO 0.00 0.32 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.28 1xxe h LEU 269 N 0.44 0.00 -0.44 5.20 3.38 -1.82 -3.52 115.31 118.55 1xxe h LEU 269 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xxe h LEU 269 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xxe h LEU 269 CO -0.02 0.15 0.00 0.41 0.09 0.00 0.00 178.44 179.07