#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxj s VAL 3 N 0.00 4.38 0.05 0.00 1.01 -1.26 -4.93 120.40 119.65 1xxj s VAL 3 Ca 0.00 -2.05 -0.17 0.00 0.00 0.00 0.00 61.98 59.76 1xxj s VAL 3 Cb 0.00 -3.85 -0.19 0.00 0.00 0.00 0.00 36.38 32.34 1xxj s VAL 3 CO 0.00 -0.83 1.21 0.11 0.00 0.00 0.00 175.10 175.59 1xxj h LYS 4 N 8.16 0.59 -3.68 2.72 1.79 -2.07 -3.46 116.57 120.62 1xxj h LYS 4 Ca -0.14 -0.53 -0.14 0.00 -2.18 0.00 0.00 60.65 57.66 1xxj h LYS 4 Cb 1.05 0.13 -0.19 0.00 -1.58 0.00 0.00 32.23 31.63 1xxj h LYS 4 CO 0.83 1.15 -0.53 0.00 -1.08 0.00 0.00 179.45 179.83 1xxj s ALA 5 N -3.54 -0.17 -0.28 3.86 0.00 -1.26 -5.16 121.76 115.21 1xxj s ALA 5 Ca -0.12 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 1xxj s ALA 5 Cb 0.06 0.17 0.09 0.00 0.00 0.00 0.00 23.12 23.44 1xxj s ALA 5 CO 0.86 -0.25 0.72 0.00 0.00 0.00 0.00 175.76 177.09 1xxj s ALA 6 N -1.89 -1.92 0.00 0.00 0.00 -1.26 -5.16 121.76 111.53 1xxj s ALA 6 Ca -0.11 2.39 -0.03 0.00 0.00 0.00 0.00 51.96 54.21 1xxj s ALA 6 Cb -0.05 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 1xxj s ALA 6 CO -0.01 -0.37 0.05 1.03 0.00 0.00 0.00 175.76 176.45 1xxj s ARG 7 N 1.55 0.32 -0.08 0.00 0.52 -1.26 -4.61 118.95 115.38 1xxj s ARG 7 Ca -0.09 -0.38 -0.21 0.00 -0.52 0.00 0.00 55.73 54.53 1xxj s ARG 7 Cb -0.05 0.12 0.05 0.00 0.52 0.00 0.00 34.95 35.59 1xxj s ARG 7 CO -0.18 -0.06 0.49 1.52 0.02 0.00 0.00 175.30 177.08 1xxj s TYR 8 N -1.10 -0.45 0.00 -0.53 1.13 -0.84 -4.89 117.35 110.67 1xxj s TYR 8 Ca -0.12 0.89 0.00 0.00 -1.41 0.00 0.00 57.07 56.43 1xxj s TYR 8 Cb -0.07 0.22 0.00 0.00 -1.10 0.00 0.00 41.96 41.01 1xxj s TYR 8 CO 0.00 -0.42 0.00 0.41 -2.51 0.00 0.00 175.55 173.03 1xxj n GLY 9 N 1.65 1.07 3.44 5.49 0.00 -1.26 0.07 105.19 115.66 1xxj n GLY 9 Ca -0.18 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1xxj n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxj s LYS 10 N 1.12 2.58 0.16 1.61 2.47 -0.98 -4.86 119.74 121.85 1xxj s LYS 10 Ca 0.00 -0.72 0.09 0.00 -1.56 0.00 0.00 55.97 53.77 1xxj s LYS 10 Cb 0.00 -2.37 -0.04 0.00 -1.46 0.00 0.00 37.83 33.96 1xxj s LYS 10 CO 0.00 0.56 -0.18 0.34 0.16 0.00 0.00 175.35 176.22 1xxj s ASP 11 N -0.56 2.70 -1.09 1.43 2.15 -1.26 -1.42 116.67 118.62 1xxj s ASP 11 Ca 0.08 -0.86 -0.09 0.00 0.43 0.00 0.00 52.55 52.10 1xxj s ASP 11 Cb -0.11 -0.16 -0.05 0.00 -0.30 0.00 0.00 42.92 42.30 1xxj s ASP 11 CO 0.01 -0.03 0.88 0.59 -0.17 0.00 0.00 175.17 176.46 1xxj n ASN 12 N 0.30 -5.98 -4.24 -0.34 3.02 -1.15 -4.93 115.26 101.94 1xxj n ASN 12 Ca -0.13 -0.79 -0.43 0.00 -0.03 0.00 0.00 54.58 53.20 1xxj n ASN 12 Cb 0.57 -4.71 -0.06 0.00 -0.61 0.00 0.00 39.78 34.97 1xxj n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xxj s VAL 13 N -3.42 4.68 0.17 2.41 1.01 -0.65 -4.91 120.40 119.69 1xxj s VAL 13 Ca 0.43 -2.16 -0.30 0.00 0.00 0.00 0.00 61.98 59.95 1xxj s VAL 13 Cb -0.08 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1xxj s VAL 13 CO 0.77 -0.88 1.32 -0.13 0.00 0.00 0.00 175.10 176.18 1xxj s ARG 14 N 0.79 4.38 -0.02 2.72 0.52 -1.26 -1.98 118.95 124.09 1xxj s ARG 14 Ca 0.11 2.04 0.01 0.00 -0.52 0.00 0.00 55.73 57.37 1xxj s ARG 14 Cb -0.21 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.05 1xxj s ARG 14 CO -0.03 -0.29 -0.04 0.08 0.02 0.00 0.00 175.30 175.04 1xxj s VAL 15 N 0.41 0.40 -0.06 3.52 1.01 -0.71 -4.99 120.40 119.98 1xxj s VAL 15 Ca 0.59 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1xxj s VAL 15 Cb -0.36 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1xxj s VAL 15 CO 0.36 0.16 -0.08 -0.47 0.00 0.00 0.00 175.10 175.07 1xxj s TYR 16 N 0.46 1.07 -0.05 5.22 6.14 -1.26 -1.06 117.35 127.87 1xxj s TYR 16 Ca -0.05 -0.36 0.04 0.00 0.64 0.00 0.00 57.07 57.34 1xxj s TYR 16 Cb -0.09 -0.85 -0.00 0.00 0.42 0.00 0.00 41.96 41.44 1xxj s TYR 16 CO -0.00 -0.24 -0.18 0.21 0.64 0.00 0.00 175.55 175.98 1xxj s LYS 17 N 0.86 1.91 -0.01 4.97 2.36 -0.53 -4.99 119.74 124.31 1xxj s LYS 17 Ca -0.12 -0.62 0.02 0.00 -2.55 0.00 0.00 55.97 52.70 1xxj s LYS 17 Cb -0.15 -1.62 -0.03 0.00 -1.05 0.00 0.00 37.83 34.97 1xxj s LYS 17 CO 0.01 0.22 -0.03 0.54 1.55 0.00 0.00 175.35 177.64 1xxj s VAL 18 N 0.12 3.92 -0.16 4.02 0.11 -1.26 -1.37 120.40 125.79 1xxj s VAL 18 Ca -0.06 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 1xxj s VAL 18 Cb -0.13 -2.72 0.01 0.00 -1.53 0.00 0.00 36.38 32.01 1xxj s VAL 18 CO 0.03 0.40 -0.21 -2.28 -3.33 0.00 0.00 175.10 169.71 1xxj s HIS 19 N -1.03 2.72 -0.23 1.54 2.46 -0.75 -4.95 115.29 115.05 1xxj s HIS 19 Ca 0.18 -1.45 -0.05 0.00 0.47 0.00 0.00 55.06 54.21 1xxj s HIS 19 Cb -0.11 -1.86 -0.02 0.00 -0.13 0.00 0.00 32.58 30.46 1xxj s HIS 19 CO 0.08 -0.68 -0.01 0.15 -2.47 0.00 0.00 174.74 171.81 1xxj s LYS 20 N 1.00 3.48 -0.59 2.88 1.02 -1.26 -1.21 119.74 125.06 1xxj s LYS 20 Ca -0.02 -0.57 -0.19 0.00 0.02 0.00 0.00 55.97 55.20 1xxj s LYS 20 Cb -0.15 -3.11 0.09 0.00 -0.52 0.00 0.00 37.83 34.15 1xxj s LYS 20 CO -0.06 -0.17 0.72 0.34 -0.92 0.00 0.00 175.35 175.25 1xxj s ASP 21 N 1.47 6.19 0.25 2.83 2.15 -1.08 -4.93 116.67 123.55 1xxj s ASP 21 Ca 0.05 -1.31 -0.04 0.00 0.43 0.00 0.00 52.55 51.69 1xxj s ASP 21 Cb -0.15 -2.31 0.50 0.00 -0.30 0.00 0.00 42.92 40.66 1xxj s ASP 21 CO -0.01 -1.11 1.70 1.05 -0.17 0.00 0.00 175.17 176.63 1xxj h GLU 22 N 9.19 0.33 0.00 4.34 4.11 -1.90 1.21 114.58 131.86 1xxj h GLU 22 Ca -0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1xxj h GLU 22 Cb 1.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1xxj h GLU 22 CO 1.09 0.22 0.00 0.36 0.07 0.00 0.00 179.01 180.75 1xxj n LYS 23 N -5.10 0.00 -0.01 1.06 2.85 -1.26 -4.22 118.16 111.49 1xxj n LYS 23 Ca 0.15 0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.33 1xxj n LYS 23 Cb 0.47 -0.93 -0.03 0.00 -0.65 0.00 0.00 35.03 33.90 1xxj n LYS 23 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1xxj h THR 24 N 0.00 0.57 0.00 0.58 1.35 -1.99 -3.47 112.91 109.95 1xxj h THR 24 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1xxj h THR 24 Cb 0.00 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1xxj h THR 24 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1xxj n GLY 25 N -1.31 2.79 3.42 5.82 0.00 0.42 -5.06 105.19 111.27 1xxj n GLY 25 Ca -0.03 -0.93 -0.62 0.00 0.00 0.00 0.00 46.02 44.44 1xxj n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xxj n VAL 26 N 0.00 0.00 -3.63 1.61 0.31 -1.26 -4.19 118.33 111.17 1xxj n VAL 26 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1xxj n VAL 26 Cb 0.00 -0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 32.43 1xxj n VAL 26 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1xxj s GLN 27 N 3.62 3.51 -0.19 5.55 -0.21 0.30 -2.62 119.66 129.63 1xxj s GLN 27 Ca 1.03 -0.36 -0.04 0.00 0.02 0.00 0.00 55.36 56.02 1xxj s GLN 27 Cb -1.42 -2.79 0.09 0.00 1.00 0.00 0.00 33.01 29.89 1xxj s GLN 27 CO 0.73 0.33 0.21 0.99 -2.12 0.00 0.00 175.29 175.44 1xxj s THR 28 N -2.00 -0.31 0.28 -0.19 2.01 -0.35 -4.67 115.64 110.41 1xxj s THR 28 Ca 0.39 -0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 1xxj s THR 28 Cb -0.10 -0.62 -0.06 0.00 0.01 0.00 0.00 72.50 71.73 1xxj s THR 28 CO 0.31 -0.16 0.55 0.68 -0.69 0.00 0.00 174.62 175.31 1xxj s VAL 29 N 2.32 5.01 0.00 3.82 -7.23 -1.26 -1.81 120.40 121.25 1xxj s VAL 29 Ca 0.06 0.15 0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1xxj s VAL 29 Cb -0.15 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 1xxj s VAL 29 CO -0.11 -0.27 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.06 1xxj s TYR 30 N -2.03 0.36 -0.08 2.82 2.02 -0.47 -4.87 117.35 115.10 1xxj s TYR 30 Ca 0.45 -0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.97 1xxj s TYR 30 Cb -0.11 -0.23 0.03 0.00 -0.40 0.00 0.00 41.96 41.26 1xxj s TYR 30 CO 0.28 -0.02 0.18 -2.00 -1.57 0.00 0.00 175.55 172.42 1xxj s GLU 31 N -0.29 0.16 0.34 -0.62 2.12 -1.26 -1.45 118.70 117.70 1xxj s GLU 31 Ca -0.00 0.37 -0.03 0.00 0.36 0.00 0.00 54.97 55.66 1xxj s GLU 31 Cb -0.03 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.31 1xxj s GLU 31 CO -0.00 -0.11 0.48 0.00 -0.54 0.00 0.00 175.26 175.09 1xxj s MET 32 N 0.79 1.89 -0.16 4.30 0.23 -0.22 -1.04 119.30 125.09 1xxj s MET 32 Ca -0.06 -1.72 -0.02 0.00 -1.03 0.00 0.00 55.69 52.86 1xxj s MET 32 Cb -0.07 0.45 0.05 0.00 -1.53 0.00 0.00 34.83 33.73 1xxj s MET 32 CO -0.04 -0.79 0.02 0.99 -2.03 0.00 0.00 175.02 173.17 1xxj s THR 33 N -3.10 0.55 0.05 3.16 2.01 -0.06 -1.75 115.64 116.50 1xxj s THR 33 Ca 0.30 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1xxj s THR 33 Cb -0.00 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1xxj s THR 33 CO 0.19 -0.08 0.11 -0.69 -0.69 0.00 0.00 174.62 173.47 1xxj s VAL 34 N 1.86 4.78 -0.02 3.82 1.01 -0.84 -1.88 120.40 129.14 1xxj s VAL 34 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xxj s VAL 34 Cb -0.16 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1xxj s VAL 34 CO -0.07 0.19 -0.02 0.00 0.00 0.00 0.00 175.10 175.20 1xxj s VAL 36 N 0.47 0.24 -0.11 0.00 1.01 -0.51 0.17 120.40 121.66 1xxj s VAL 36 Ca -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xxj s VAL 36 Cb -0.08 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1xxj s VAL 36 CO -0.01 -0.16 -0.04 -0.76 0.00 0.00 0.00 175.10 174.13 1xxj s LEU 37 N 2.00 3.30 0.13 3.92 1.43 0.32 -2.32 118.68 127.46 1xxj s LEU 37 Ca 0.01 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1xxj s LEU 37 Cb -0.16 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1xxj s LEU 37 CO -0.08 0.28 0.02 -0.76 0.23 0.00 0.00 176.35 176.04 1xxj s LEU 38 N -0.29 3.46 -0.01 1.79 1.43 0.11 -0.75 118.68 124.42 1xxj s LEU 38 Ca 0.05 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1xxj s LEU 38 Cb -0.13 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 1xxj s LEU 38 CO 0.02 0.13 -0.07 -1.61 0.23 0.00 0.00 176.35 175.06 1xxj s GLU 39 N -2.62 0.56 0.00 1.70 2.02 -0.01 -1.99 118.70 118.36 1xxj s GLU 39 Ca 0.27 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1xxj s GLU 39 Cb -0.11 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.58 1xxj s GLU 39 CO 0.19 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.01 1xxj n GLY 40 N 2.99 -0.55 3.47 -1.39 0.00 -1.26 -1.11 105.19 107.33 1xxj n GLY 40 Ca -0.14 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 1xxj n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xxj n GLU 41 N 0.00 2.68 0.00 1.61 1.02 0.33 -4.37 120.64 121.91 1xxj n GLU 41 Ca 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 1xxj n GLU 41 Cb 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 31.44 27.91 1xxj n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xxj n ILE 42 N 6.59 0.30 -0.33 -3.67 -5.35 -1.26 -4.86 119.36 110.78 1xxj n ILE 42 Ca 0.48 -0.38 0.22 0.00 -0.27 0.00 0.00 62.75 62.80 1xxj n ILE 42 Cb 0.45 1.04 0.44 0.00 -1.74 0.00 0.00 39.64 39.83 1xxj n ILE 42 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1xxj h GLU 43 N 0.00 0.37 -0.98 6.28 3.07 -1.99 -1.31 114.58 120.02 1xxj h GLU 43 Ca 0.00 -0.02 0.15 0.00 -0.50 0.00 0.00 59.36 58.99 1xxj h GLU 43 Cb 0.59 -0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.33 1xxj h GLU 43 CO 0.00 0.25 0.62 1.79 -1.40 0.00 0.00 179.01 180.26 1xxj h THR 44 N 0.38 0.83 -0.07 1.13 1.35 -1.91 -1.12 112.91 113.51 1xxj h THR 44 Ca 0.70 -0.29 0.02 0.00 -0.55 0.00 0.00 66.41 66.29 1xxj h THR 44 Cb 1.53 -0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1xxj h THR 44 CO -0.58 0.16 0.05 0.77 -0.25 0.00 0.00 175.52 175.67 1xxj h SER 45 N 0.85 0.00 0.12 5.36 4.64 -1.33 1.09 113.55 124.29 1xxj h SER 45 Ca 0.51 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.54 1xxj h SER 45 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1xxj h SER 45 CO -0.28 0.00 -1.49 1.88 -0.87 0.00 0.00 176.83 176.07 1xxj h TYR 46 N 0.00 0.48 0.09 4.77 -1.99 -1.36 -3.29 116.97 115.67 1xxj h TYR 46 Ca 0.03 -0.35 -0.34 0.00 2.00 0.00 0.00 58.73 60.07 1xxj h TYR 46 Cb 0.13 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 1xxj h TYR 46 CO 0.00 1.58 -1.87 0.25 -0.00 0.00 0.00 178.16 178.12 1xxj n THR 47 N -3.86 1.70 -1.33 -2.88 -2.24 -0.89 -4.48 114.28 100.30 1xxj n THR 47 Ca -0.25 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.02 1xxj n THR 47 Cb 0.93 -1.79 0.21 0.00 -2.10 0.00 0.00 70.33 67.58 1xxj n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xxj n LYS 48 N -3.71 2.08 -3.64 -0.78 5.02 0.37 -4.98 118.16 112.52 1xxj n LYS 48 Ca -0.33 -3.08 -0.24 0.00 -2.02 0.00 0.00 58.31 52.63 1xxj n LYS 48 Cb 0.96 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 1xxj n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xxj n ALA 49 N -0.99 -1.32 -3.61 7.82 0.00 -0.71 -4.84 120.51 116.85 1xxj n ALA 49 Ca 0.30 -0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 1xxj n ALA 49 Cb 1.00 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 1xxj n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xxj s ASP 50 N -3.35 5.64 0.00 0.00 2.15 -1.19 -4.94 116.67 114.98 1xxj s ASP 50 Ca 0.23 -2.52 0.04 0.00 0.43 0.00 0.00 52.55 50.72 1xxj s ASP 50 Cb -0.13 -1.96 0.21 0.00 -0.30 0.00 0.00 42.92 40.74 1xxj s ASP 50 CO 0.67 -0.50 0.80 0.59 -0.17 0.00 0.00 175.17 176.56 1xxj n ASN 51 N 4.02 0.00 0.22 -0.34 3.02 -1.26 -3.45 115.26 117.47 1xxj n ASN 51 Ca 0.04 -1.16 0.07 0.00 -0.03 0.00 0.00 54.58 53.50 1xxj n ASN 51 Cb 0.41 0.00 0.49 0.00 -0.61 0.00 0.00 39.78 40.07 1xxj n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1xxj h SER 52 N 0.00 0.00 1.62 6.41 4.64 -1.99 -2.26 113.55 121.96 1xxj h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xxj h SER 52 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xxj h SER 52 CO 0.00 0.26 -0.36 -0.37 -0.87 0.00 0.00 176.83 175.50 1xxj h VAL 53 N 0.00 0.00 -3.25 0.95 -1.51 -1.91 -3.46 116.25 107.07 1xxj h VAL 53 Ca -0.00 -0.97 -0.55 0.00 -1.23 0.00 0.00 66.70 63.94 1xxj h VAL 53 Cb 0.55 1.79 -0.03 0.00 -2.13 0.00 0.00 31.29 31.48 1xxj h VAL 53 CO 0.03 0.00 0.56 -0.63 -1.23 0.00 0.00 177.57 176.30 1xxj s ILE 54 N -3.26 4.63 -0.74 7.19 1.09 -0.85 -4.92 121.20 124.34 1xxj s ILE 54 Ca 0.05 1.91 -0.15 0.00 -1.10 0.00 0.00 60.65 61.35 1xxj s ILE 54 Cb 0.07 -4.22 0.19 0.00 -1.06 0.00 0.00 42.46 37.43 1xxj s ILE 54 CO 0.71 0.04 0.69 -0.69 -0.10 0.00 0.00 174.94 175.59 1xxj s VAL 55 N 1.79 5.47 -0.15 2.92 1.01 -1.26 -5.01 120.40 125.18 1xxj s VAL 55 Ca 0.51 -2.14 -0.18 0.00 0.00 0.00 0.00 61.98 60.17 1xxj s VAL 55 Cb -0.21 -4.43 -0.08 0.00 0.00 0.00 0.00 36.38 31.66 1xxj s VAL 55 CO 0.22 -0.99 0.58 0.00 0.00 0.00 0.00 175.10 174.91 1xxj n ALA 56 N 4.43 -0.86 -0.12 5.51 0.00 -1.26 -4.67 120.51 123.54 1xxj n ALA 56 Ca 0.05 0.21 0.27 0.00 0.00 0.00 0.00 53.44 53.97 1xxj n ALA 56 Cb 0.45 -0.75 0.72 0.00 0.00 0.00 0.00 19.45 19.86 1xxj n ALA 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xxj h THR 57 N 1.79 0.42 -0.80 0.00 1.35 -1.95 0.80 112.91 114.52 1xxj h THR 57 Ca -0.18 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.70 1xxj h THR 57 Cb 0.55 0.51 -0.05 0.00 -1.73 0.00 0.00 68.15 67.44 1xxj h THR 57 CO 0.36 0.00 0.52 -0.78 -0.25 0.00 0.00 175.52 175.37 1xxj h ASP 58 N 0.00 0.88 0.47 5.36 3.58 -1.95 -0.10 116.42 124.65 1xxj h ASP 58 Ca 0.38 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.73 1xxj h ASP 58 Cb 1.71 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.55 1xxj h ASP 58 CO -0.00 0.62 -0.46 0.28 -2.88 0.00 0.00 179.24 176.79 1xxj h SER 59 N 1.03 0.00 -0.14 2.28 0.02 0.31 0.92 113.55 117.97 1xxj h SER 59 Ca 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1xxj h SER 59 Cb -0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1xxj h SER 59 CO -0.09 0.46 0.02 0.40 -1.14 0.00 0.00 176.83 176.48 1xxj h ILE 60 N 0.00 1.22 0.13 3.27 2.04 -1.00 0.67 117.51 123.83 1xxj h ILE 60 Ca -0.00 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1xxj h ILE 60 Cb 0.81 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1xxj h ILE 60 CO 0.06 0.21 -0.23 0.50 0.00 0.00 0.00 178.15 178.69 1xxj h LYS 61 N 0.02 -0.41 -0.34 2.37 3.64 -0.25 0.12 116.57 121.71 1xxj h LYS 61 Ca 0.04 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1xxj h LYS 61 Cb 0.29 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1xxj h LYS 61 CO 0.00 -0.28 -0.06 -0.91 -2.27 0.00 0.00 179.45 175.93 1xxj h ASN 62 N -0.43 -0.27 -0.34 4.20 2.35 -0.69 -1.92 115.58 118.48 1xxj h ASN 62 Ca 0.02 0.10 0.07 0.00 -0.55 0.00 0.00 56.30 55.95 1xxj h ASN 62 Cb 0.45 0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.93 1xxj h ASN 62 CO -0.12 -0.09 -0.26 0.74 -1.65 0.00 0.00 177.43 176.04 1xxj h THR 63 N 0.02 0.33 -0.44 2.81 2.02 0.10 -0.44 112.91 117.31 1xxj h THR 63 Ca 0.16 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.44 1xxj h THR 63 Cb 0.25 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 66.89 1xxj h THR 63 CO -0.33 0.00 -0.19 0.40 0.37 0.00 0.00 175.52 175.77 1xxj h ILE 64 N -0.22 0.41 0.47 3.11 2.04 -0.06 0.27 117.51 123.53 1xxj h ILE 64 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1xxj h ILE 64 Cb 0.49 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1xxj h ILE 64 CO -0.47 0.00 -0.33 1.88 0.00 0.00 0.00 178.15 179.23 1xxj h TYR 65 N -0.10 -0.89 -0.06 1.37 0.05 -0.60 -0.32 116.97 116.42 1xxj h TYR 65 Ca 0.21 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.03 1xxj h TYR 65 Cb 0.43 0.33 -0.06 0.00 1.01 0.00 0.00 36.73 38.44 1xxj h TYR 65 CO -0.45 -0.50 -0.37 0.82 -1.05 0.00 0.00 178.16 176.61 1xxj h ILE 66 N -0.79 0.22 -0.53 -2.88 2.04 -0.66 -0.01 117.51 114.90 1xxj h ILE 66 Ca -0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 1xxj h ILE 66 Cb 0.66 0.22 -0.11 0.00 -0.74 0.00 0.00 36.82 36.86 1xxj h ILE 66 CO 0.02 0.00 -0.22 0.74 0.00 0.00 0.00 178.15 178.69 1xxj h THR 67 N -0.49 0.33 -0.74 -0.27 2.02 -0.33 0.55 112.91 113.98 1xxj h THR 67 Ca 0.07 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1xxj h THR 67 Cb 0.60 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1xxj h THR 67 CO -0.33 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.05 1xxj h ALA 68 N 1.28 1.57 0.00 6.16 0.00 -0.47 -0.82 119.26 126.98 1xxj h ALA 68 Ca 0.24 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1xxj h ALA 68 Cb 0.48 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xxj h ALA 68 CO -0.59 0.35 -0.55 -0.22 0.00 0.00 0.00 179.25 178.23 1xxj h LYS 69 N 0.90 0.00 0.00 0.00 1.63 0.19 -3.25 116.57 116.03 1xxj h LYS 69 Ca 0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 1xxj h LYS 69 Cb 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1xxj h LYS 69 CO -0.09 0.55 -0.99 1.04 -3.45 0.00 0.00 179.45 176.52 1xxj n GLN 70 N -3.66 0.47 -4.64 1.90 6.02 0.67 -4.98 117.38 113.16 1xxj n GLN 70 Ca -0.01 0.07 -0.29 0.00 -0.01 0.00 0.00 57.00 56.76 1xxj n GLN 70 Cb 0.60 -1.73 -0.09 0.00 1.02 0.00 0.00 30.24 30.05 1xxj n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xxj s ASN 71 N -4.75 3.54 0.52 1.08 0.01 -0.38 -5.08 114.94 109.88 1xxj s ASN 71 Ca 0.01 -1.59 -0.16 0.00 -0.71 0.00 0.00 52.86 50.41 1xxj s ASN 71 Cb 0.12 0.32 -0.08 0.00 0.41 0.00 0.00 41.25 42.02 1xxj s ASN 71 CO 0.78 -0.79 0.98 -2.16 -1.51 0.00 0.00 177.10 174.40 1xxj s PRO 72 N -3.81 3.92 -0.01 -0.60 0.04 -1.26 -4.79 135.00 128.49 1xxj s PRO 72 Ca 0.18 0.92 0.16 0.00 0.04 0.00 0.00 61.00 62.30 1xxj s PRO 72 Cb 0.04 -2.14 -0.19 0.00 0.04 0.00 0.00 34.50 32.24 1xxj s PRO 72 CO 0.10 -0.28 0.60 1.33 0.04 0.00 0.00 177.00 178.79 1xxj n VAL 73 N -1.64 0.00 -4.68 -0.36 0.24 -1.26 -4.55 118.33 106.08 1xxj n VAL 73 Ca 0.06 -0.18 -0.30 0.00 -2.04 0.00 0.00 64.34 61.88 1xxj n VAL 73 Cb 0.54 0.78 -0.14 0.00 -1.47 0.00 0.00 33.84 33.56 1xxj n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xxj s THR 74 N -2.67 2.34 0.34 3.34 -1.32 -1.26 -3.73 115.64 112.69 1xxj s THR 74 Ca 0.03 -1.47 -0.16 0.00 -1.21 0.00 0.00 61.69 58.89 1xxj s THR 74 Cb 0.12 -1.97 -0.09 0.00 -1.51 0.00 0.00 72.50 69.04 1xxj s THR 74 CO 0.67 0.27 0.77 -2.16 -2.21 0.00 0.00 174.62 171.95 1xxj s PRO 75 N -1.57 4.03 0.32 7.08 0.04 -1.26 -4.82 135.00 138.82 1xxj s PRO 75 Ca 0.13 0.74 0.15 0.00 0.04 0.00 0.00 61.00 62.06 1xxj s PRO 75 Cb -0.10 -2.39 1.11 0.00 0.04 0.00 0.00 34.50 33.16 1xxj s PRO 75 CO 0.04 0.12 1.43 -2.30 0.04 0.00 0.00 177.00 176.33 1xxj n PRO 76 N -0.44 -0.06 -0.02 0.56 -0.02 -1.24 0.60 135.00 134.37 1xxj n PRO 76 Ca 0.04 1.28 0.03 0.00 -2.02 0.00 0.00 63.50 62.83 1xxj n PRO 76 Cb 0.53 -2.23 0.39 0.00 -0.02 0.00 0.00 33.50 32.18 1xxj n PRO 76 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xxj h GLU 77 N 0.00 0.58 0.34 -0.52 3.07 -1.95 0.10 114.58 116.20 1xxj h GLU 77 Ca 0.72 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.52 1xxj h GLU 77 Cb 1.85 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.63 1xxj h GLU 77 CO -0.73 0.41 -0.16 1.25 -1.40 0.00 0.00 179.01 178.37 1xxj h LEU 78 N 0.59 -0.39 -0.37 1.33 5.85 -0.20 -2.39 115.31 119.73 1xxj h LEU 78 Ca 0.16 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1xxj h LEU 78 Cb -0.02 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 1xxj h LEU 78 CO -0.03 -0.09 -0.48 0.15 -0.34 0.00 0.00 178.44 177.65 1xxj h PHE 79 N -0.84 -1.43 -0.35 1.25 3.57 -1.37 0.35 116.94 118.12 1xxj h PHE 79 Ca -0.05 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.63 1xxj h PHE 79 Cb 0.35 0.68 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1xxj h PHE 79 CO 0.03 -0.47 0.30 0.78 -2.23 0.00 0.00 178.31 176.72 1xxj h GLY 80 N -0.39 0.00 0.43 2.40 0.00 -0.93 0.33 103.07 104.92 1xxj h GLY 80 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1xxj h GLY 80 CO -0.56 0.00 -0.11 1.76 0.00 0.00 0.00 176.54 177.63 1xxj h SER 81 N 0.00 0.13 -0.63 0.19 0.02 0.03 -0.74 113.55 112.55 1xxj h SER 81 Ca 0.17 -0.69 0.03 0.00 -0.84 0.00 0.00 61.79 60.46 1xxj h SER 81 Cb 0.76 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 1xxj h SER 81 CO -0.00 0.80 0.38 0.40 -1.14 0.00 0.00 176.83 177.27 1xxj h ILE 82 N -0.53 1.07 -0.40 3.27 2.04 0.83 -1.55 117.51 122.24 1xxj h ILE 82 Ca -0.01 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1xxj h ILE 82 Cb 0.80 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1xxj h ILE 82 CO 0.02 0.14 -0.12 0.25 0.00 0.00 0.00 178.15 178.44 1xxj h LEU 83 N 0.75 0.80 -0.50 1.44 5.85 -0.41 -1.93 115.31 121.31 1xxj h LEU 83 Ca 0.25 -0.37 -0.17 0.00 0.84 0.00 0.00 57.88 58.43 1xxj h LEU 83 Cb 0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1xxj h LEU 83 CO -0.11 0.99 -0.68 1.23 -0.34 0.00 0.00 178.44 179.52 1xxj h GLY 84 N 0.60 0.36 0.57 3.75 0.00 -1.09 -3.27 103.07 103.98 1xxj h GLY 84 Ca 0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1xxj h GLY 84 CO 0.04 0.43 -0.36 -0.84 0.00 0.00 0.00 176.54 175.81 1xxj h THR 85 N 0.23 0.00 -0.88 4.70 2.02 -1.21 -3.00 112.91 114.77 1xxj h THR 85 Ca -0.02 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.51 1xxj h THR 85 Cb 1.24 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.49 1xxj h THR 85 CO 0.11 0.00 0.40 1.57 0.37 0.00 0.00 175.52 177.97 1xxj n HIS 86 N -4.65 0.94 0.16 3.16 -0.00 -0.73 -0.10 115.22 113.99 1xxj n HIS 86 Ca -0.11 1.04 0.03 0.00 -0.00 0.00 0.00 57.72 58.68 1xxj n HIS 86 Cb 0.37 -1.40 0.20 0.00 -0.00 0.00 0.00 29.99 29.16 1xxj n HIS 86 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 1xxj h PHE 87 N 0.00 0.00 0.17 1.57 0.04 -1.58 -1.14 116.94 116.01 1xxj h PHE 87 Ca 0.71 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 61.18 1xxj h PHE 87 Cb 1.82 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.99 1xxj h PHE 87 CO -0.08 0.50 -1.33 -0.84 -0.60 0.00 0.00 178.31 175.96 1xxj h ILE 88 N 0.00 1.37 0.36 -0.55 3.07 -0.50 -3.13 117.51 118.13 1xxj h ILE 88 Ca -0.00 -2.78 -0.02 0.00 1.55 0.00 0.00 64.86 63.61 1xxj h ILE 88 Cb 1.11 2.92 0.00 0.00 -0.27 0.00 0.00 36.82 40.58 1xxj h ILE 88 CO 0.06 0.83 -0.17 -0.33 -1.05 0.00 0.00 178.15 177.49 1xxj h GLU 89 N 0.15 -0.47 -0.98 0.16 5.08 -1.44 -3.31 114.58 113.78 1xxj h GLU 89 Ca -0.19 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.42 1xxj h GLU 89 Cb 2.02 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 31.29 1xxj h GLU 89 CO 0.24 -0.31 0.63 -0.22 -1.00 0.00 0.00 179.01 178.34 1xxj h LYS 90 N -1.03 0.51 -4.98 2.33 1.63 -1.38 -3.38 116.57 110.28 1xxj h LYS 90 Ca -0.05 -0.03 -0.67 0.00 -0.85 0.00 0.00 60.65 59.05 1xxj h LYS 90 Cb 0.37 -0.12 -0.31 0.00 -0.60 0.00 0.00 32.23 31.57 1xxj h LYS 90 CO 0.08 0.34 -0.77 0.71 -3.45 0.00 0.00 179.45 176.36 1xxj s TYR 91 N -5.60 2.95 0.09 1.91 2.02 -1.18 -5.00 117.35 112.54 1xxj s TYR 91 Ca -0.09 -1.37 -0.33 0.00 -0.37 0.00 0.00 57.07 54.91 1xxj s TYR 91 Cb 0.24 -2.04 -0.15 0.00 -0.40 0.00 0.00 41.96 39.62 1xxj s TYR 91 CO 0.79 -0.69 1.59 -0.91 -1.57 0.00 0.00 175.55 174.77 1xxj h ASN 92 N 8.03 -1.15 0.06 2.29 2.35 -1.77 -2.77 115.58 122.62 1xxj h ASN 92 Ca -0.39 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1xxj h ASN 92 Cb 1.13 0.38 0.00 0.00 0.05 0.00 0.00 38.32 39.88 1xxj h ASN 92 CO 0.60 -0.58 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1xxj n HIS 93 N -5.51 0.00 -3.66 1.19 1.44 -1.26 -4.49 115.22 102.92 1xxj n HIS 93 Ca -0.11 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.21 1xxj n HIS 93 Cb 0.41 -0.28 -0.12 0.00 0.12 0.00 0.00 29.99 30.13 1xxj n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1xxj s ILE 94 N -2.55 4.51 -0.81 0.61 -1.09 -1.05 0.12 121.20 120.95 1xxj s ILE 94 Ca 0.03 -0.52 0.09 0.00 -2.23 0.00 0.00 60.65 58.02 1xxj s ILE 94 Cb 0.02 -3.33 0.23 0.00 -1.58 0.00 0.00 42.46 37.80 1xxj s ILE 94 CO 0.05 0.03 1.16 1.41 -1.23 0.00 0.00 174.94 176.35 1xxj n HIS 95 N 4.97 0.33 -3.64 3.97 8.25 -0.27 -4.45 115.22 124.38 1xxj n HIS 95 Ca -0.14 -0.44 -0.09 0.00 -0.26 0.00 0.00 57.72 56.79 1xxj n HIS 95 Cb 0.49 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.50 1xxj n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xxj s ALA 96 N -0.97 -1.89 -0.17 -1.41 0.00 -0.69 -0.87 121.76 115.76 1xxj s ALA 96 Ca 0.18 2.20 -0.01 0.00 0.00 0.00 0.00 51.96 54.33 1xxj s ALA 96 Cb 0.10 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.90 1xxj s ALA 96 CO 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 175.76 175.52 1xxj s ALA 97 N 1.00 1.27 -0.38 0.00 0.00 0.06 -0.83 121.76 122.87 1xxj s ALA 97 Ca -0.05 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 1xxj s ALA 97 Cb -0.05 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.95 1xxj s ALA 97 CO -0.10 -0.92 0.27 -1.01 0.00 0.00 0.00 175.76 174.01 1xxj s HIS 98 N 1.73 3.24 -0.21 0.00 3.76 0.07 -1.29 115.29 122.59 1xxj s HIS 98 Ca 0.00 -0.48 -0.04 0.00 -0.15 0.00 0.00 55.06 54.40 1xxj s HIS 98 Cb -0.16 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 30.98 1xxj s HIS 98 CO -0.07 -0.51 -0.05 0.08 -0.85 0.00 0.00 174.74 173.34 1xxj s VAL 99 N 1.69 3.40 -0.09 -0.90 1.01 -0.73 -0.52 120.40 124.26 1xxj s VAL 99 Ca 0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1xxj s VAL 99 Cb -0.18 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1xxj s VAL 99 CO 0.10 0.43 -0.03 0.21 0.00 0.00 0.00 175.10 175.81 1xxj s ASN 100 N 1.33 4.94 -0.04 3.32 2.47 0.13 -0.22 114.94 126.87 1xxj s ASN 100 Ca 0.04 0.03 -0.00 0.00 0.42 0.00 0.00 52.86 53.35 1xxj s ASN 100 Cb -0.14 -1.42 0.03 0.00 -1.45 0.00 0.00 41.25 38.26 1xxj s ASN 100 CO -0.02 0.33 -0.00 -0.63 -3.72 0.00 0.00 177.10 173.06 1xxj s ILE 101 N -0.61 0.24 -0.20 -5.21 1.01 -0.11 -1.34 121.20 114.98 1xxj s ILE 101 Ca 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 1xxj s ILE 101 Cb -0.12 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 1xxj s ILE 101 CO 0.02 0.18 -0.07 -0.69 0.00 0.00 0.00 174.94 174.38 1xxj s VAL 102 N 1.28 3.16 -0.16 2.92 1.01 -0.79 -1.27 120.40 126.56 1xxj s VAL 102 Ca -0.06 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1xxj s VAL 102 Cb -0.13 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1xxj s VAL 102 CO -0.02 0.45 0.34 0.00 0.00 0.00 0.00 175.10 175.87 1xxj s HIS 104 N 0.56 3.40 -0.13 0.00 3.76 -0.21 -2.94 115.29 119.73 1xxj s HIS 104 Ca 0.18 0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 55.10 1xxj s HIS 104 Cb -0.13 -2.07 -0.05 0.00 1.11 0.00 0.00 32.58 31.44 1xxj s HIS 104 CO 0.05 0.37 1.73 1.03 -0.85 0.00 0.00 174.74 177.07 1xxj s ARG 105 N -0.02 3.90 -0.45 1.40 0.52 -1.26 -4.37 118.95 118.66 1xxj s ARG 105 Ca 0.09 1.98 0.03 0.00 -0.52 0.00 0.00 55.73 57.31 1xxj s ARG 105 Cb -0.12 -4.07 0.13 0.00 0.52 0.00 0.00 34.95 31.42 1xxj s ARG 105 CO 0.00 -1.18 0.22 -1.58 0.02 0.00 0.00 175.30 172.78 1xxj s TRP 106 N 5.02 2.49 -0.12 -0.53 0.23 -1.26 -4.05 118.94 120.72 1xxj s TRP 106 Ca 0.77 -2.68 -0.17 0.00 -2.03 0.00 0.00 56.10 51.99 1xxj s TRP 106 Cb -0.31 -2.27 -0.04 0.00 0.03 0.00 0.00 33.47 30.88 1xxj s TRP 106 CO 0.31 -0.79 0.44 0.99 0.96 0.00 0.00 176.95 178.86 1xxj s THR 107 N 0.26 5.21 0.22 2.01 2.01 0.14 -4.82 115.64 120.67 1xxj s THR 107 Ca 0.16 0.87 -0.32 0.00 0.31 0.00 0.00 61.69 62.71 1xxj s THR 107 Cb -0.24 -3.78 -0.13 0.00 0.01 0.00 0.00 72.50 68.36 1xxj s THR 107 CO -0.02 0.34 1.48 -1.14 -0.69 0.00 0.00 174.62 174.60 1xxj n ARG 108 N 3.62 2.15 -2.58 4.92 0.63 -1.26 -0.36 116.66 123.78 1xxj n ARG 108 Ca -0.08 0.77 -0.35 0.00 -0.92 0.00 0.00 57.85 57.27 1xxj n ARG 108 Cb 0.52 -2.48 -0.04 0.00 0.45 0.00 0.00 32.46 30.91 1xxj n ARG 108 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1xxj s MET 109 N 0.01 3.97 -0.37 -0.14 -1.94 -0.67 -4.83 119.30 115.34 1xxj s MET 109 Ca 0.71 1.38 -0.04 0.00 -1.71 0.00 0.00 55.69 56.03 1xxj s MET 109 Cb -0.64 -2.25 0.08 0.00 2.01 0.00 0.00 34.83 34.03 1xxj s MET 109 CO 0.46 -0.29 0.13 -0.51 -0.01 0.00 0.00 175.02 174.80 1xxj s ASP 110 N -1.87 5.21 -0.34 3.03 1.11 -1.26 -1.43 116.67 121.12 1xxj s ASP 110 Ca 0.64 -1.59 -0.12 0.00 0.18 0.00 0.00 52.55 51.65 1xxj s ASP 110 Cb -0.17 -1.82 -0.01 0.00 1.07 0.00 0.00 42.92 41.99 1xxj s ASP 110 CO 0.22 -0.42 0.22 -0.63 1.18 0.00 0.00 175.17 175.73 1xxj s ILE 111 N 1.25 5.03 -1.30 0.77 -1.09 -1.14 -4.30 121.20 120.42 1xxj s ILE 111 Ca 0.02 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.06 1xxj s ILE 111 Cb -0.21 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1xxj s ILE 111 CO -0.01 -0.03 0.83 0.47 -1.23 0.00 0.00 174.94 174.96 1xxj n ASP 112 N 5.07 -1.99 0.00 3.58 8.00 -1.26 -1.73 116.55 128.22 1xxj n ASP 112 Ca -0.13 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1xxj n ASP 112 Cb 0.49 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 1xxj n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xxj n GLY 113 N -1.49 0.86 3.41 0.44 0.00 -1.26 -4.93 105.19 102.22 1xxj n GLY 113 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1xxj n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxj s LYS 114 N 0.00 3.08 -0.20 1.61 0.00 -0.71 -5.00 119.74 118.52 1xxj s LYS 114 Ca 0.00 -0.90 -0.41 0.00 0.00 0.00 0.00 55.97 54.66 1xxj s LYS 114 Cb 0.00 -3.64 -0.18 0.00 0.00 0.00 0.00 37.83 34.01 1xxj s LYS 114 CO 0.00 -0.55 1.47 -2.30 0.00 0.00 0.00 175.35 173.97 1xxj n PRO 115 N 4.99 0.59 -2.72 1.78 -0.02 -1.26 -2.88 135.00 135.47 1xxj n PRO 115 Ca -0.13 0.21 -0.38 0.00 -2.02 0.00 0.00 63.50 61.19 1xxj n PRO 115 Cb 0.48 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 32.10 1xxj n PRO 115 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1xxj s HIS 116 N 1.98 3.66 0.18 6.00 2.46 -0.51 -4.92 115.29 124.13 1xxj s HIS 116 Ca 0.96 1.78 -0.09 0.00 0.47 0.00 0.00 55.06 58.18 1xxj s HIS 116 Cb -1.21 -2.99 0.07 0.00 -0.13 0.00 0.00 32.58 28.33 1xxj s HIS 116 CO 0.64 0.07 1.61 -1.00 -2.47 0.00 0.00 174.74 173.59 1xxj h PRO 117 N 3.25 1.01 0.00 2.88 0.13 -1.91 -3.38 132.00 133.98 1xxj h PRO 117 Ca -0.47 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1xxj h PRO 117 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xxj h PRO 117 CO 0.65 1.05 -0.06 -2.39 -0.23 0.00 0.00 178.00 177.02 1xxj n HIS 118 N -4.15 0.00 -4.48 1.56 1.44 -1.26 -0.54 115.22 107.79 1xxj n HIS 118 Ca 0.02 -0.32 -0.34 0.00 -2.01 0.00 0.00 57.72 55.07 1xxj n HIS 118 Cb 0.40 -0.05 -0.10 0.00 0.12 0.00 0.00 29.99 30.36 1xxj n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1xxj s SER 119 N -0.89 4.87 0.13 4.39 0.01 -1.26 -5.04 113.70 115.91 1xxj s SER 119 Ca 0.04 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 1xxj s SER 119 Cb 0.04 -1.26 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 1xxj s SER 119 CO 0.00 0.34 0.12 -0.36 0.41 0.00 0.00 173.24 173.75 1xxj s PHE 120 N -0.90 0.65 -0.01 2.43 0.40 -1.26 -1.67 117.98 117.62 1xxj s PHE 120 Ca 0.14 -1.04 0.01 0.00 -0.60 0.00 0.00 56.93 55.44 1xxj s PHE 120 Cb -0.11 -0.32 0.01 0.00 0.51 0.00 0.00 43.02 43.10 1xxj s PHE 120 CO 0.04 -0.56 -0.02 -1.50 0.70 0.00 0.00 175.22 173.88 1xxj s ILE 121 N -4.00 0.16 -1.04 0.64 2.07 0.52 -4.85 121.20 114.70 1xxj s ILE 121 Ca 0.19 -0.04 -0.22 0.00 -1.41 0.00 0.00 60.65 59.16 1xxj s ILE 121 Cb 0.06 -0.17 0.06 0.00 0.13 0.00 0.00 42.46 42.53 1xxj s ILE 121 CO -0.01 0.07 1.46 -0.60 -1.91 0.00 0.00 174.94 173.95 1xxj s ARG 122 N 0.21 3.62 0.00 3.50 6.06 -1.26 -0.68 118.95 130.41 1xxj s ARG 122 Ca -0.02 -1.23 0.00 0.00 -2.50 0.00 0.00 55.73 51.99 1xxj s ARG 122 Cb -0.04 -5.35 0.00 0.00 0.06 0.00 0.00 34.95 29.62 1xxj s ARG 122 CO -0.01 -2.19 0.84 -0.40 -2.50 0.00 0.00 175.30 171.05 1xxj n ASP 123 N 8.72 0.21 0.00 -2.12 5.75 -1.26 -4.86 116.55 123.00 1xxj n ASP 123 Ca 0.34 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 1xxj n ASP 123 Cb 0.50 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1xxj n ASP 123 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1xxj n SER 124 N -0.38 0.00 -1.43 -1.12 2.88 -1.26 -4.99 113.62 107.32 1xxj n SER 124 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1xxj n SER 124 Cb 0.05 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.84 1xxj n SER 124 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1xxj n GLU 125 N -0.17 3.51 -2.09 -1.46 4.07 -1.26 -4.68 120.64 118.56 1xxj n GLU 125 Ca 0.00 -2.79 -0.37 0.00 -0.06 0.00 0.00 57.16 53.94 1xxj n GLU 125 Cb 0.00 -1.80 0.01 0.00 -0.06 0.00 0.00 31.44 29.59 1xxj n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1xxj s GLU 126 N -1.76 3.50 -0.02 5.31 2.12 -1.25 -4.71 118.70 121.89 1xxj s GLU 126 Ca 0.48 1.92 0.02 0.00 0.36 0.00 0.00 54.97 57.75 1xxj s GLU 126 Cb 0.30 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1xxj s GLU 126 CO 0.23 -0.81 -0.08 0.15 -0.54 0.00 0.00 175.26 174.22 1xxj s LYS 127 N -2.82 0.78 -0.20 4.30 -0.14 0.13 -4.39 119.74 117.40 1xxj s LYS 127 Ca 0.67 -0.27 -0.10 0.00 -1.36 0.00 0.00 55.97 54.91 1xxj s LYS 127 Cb -0.32 -0.75 -0.05 0.00 -1.68 0.00 0.00 37.83 35.03 1xxj s LYS 127 CO 0.38 0.12 0.13 0.50 -0.76 0.00 0.00 175.35 175.72 1xxj s ARG 128 N 0.07 4.17 0.26 1.68 3.52 -1.15 -0.65 118.95 126.85 1xxj s ARG 128 Ca -0.01 -0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.40 1xxj s ARG 128 Cb -0.06 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1xxj s ARG 128 CO 0.00 0.31 0.03 -0.80 -0.81 0.00 0.00 175.30 174.03 1xxj s ASN 129 N 0.34 1.82 -0.09 -2.12 -0.87 -0.25 0.12 114.94 113.89 1xxj s ASN 129 Ca 0.08 -1.29 -0.11 0.00 -1.57 0.00 0.00 52.86 49.98 1xxj s ASN 129 Cb -0.11 0.02 0.03 0.00 -0.02 0.00 0.00 41.25 41.16 1xxj s ASN 129 CO -0.02 -0.58 0.29 0.68 -2.57 0.00 0.00 177.10 174.91 1xxj s VAL 130 N -3.46 0.01 -0.18 1.60 -7.23 -0.39 -1.77 120.40 108.99 1xxj s VAL 130 Ca 0.32 -0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1xxj s VAL 130 Cb 0.07 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.58 1xxj s VAL 130 CO 0.11 -0.06 -0.20 -1.58 -0.31 0.00 0.00 175.10 173.06 1xxj s GLN 131 N -0.17 3.01 -0.35 4.82 0.74 -0.46 -0.93 119.66 126.31 1xxj s GLN 131 Ca -0.03 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.57 1xxj s GLN 131 Cb -0.03 -2.57 0.11 0.00 1.10 0.00 0.00 33.01 31.62 1xxj s GLN 131 CO 0.01 -0.18 0.10 0.08 -0.55 0.00 0.00 175.29 174.75 1xxj s VAL 132 N 1.23 1.61 -0.04 1.34 1.01 0.69 -1.31 120.40 124.93 1xxj s VAL 132 Ca 0.03 -2.03 -0.21 0.00 0.00 0.00 0.00 61.98 59.78 1xxj s VAL 132 Cb -0.13 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1xxj s VAL 132 CO -0.11 -0.68 0.59 -1.81 0.00 0.00 0.00 175.10 173.09 1xxj s ASP 133 N 1.07 6.91 -0.27 3.32 1.01 0.94 -1.78 116.67 127.88 1xxj s ASP 133 Ca 0.12 1.09 0.01 0.00 0.71 0.00 0.00 52.55 54.47 1xxj s ASP 133 Cb -0.19 -2.36 0.08 0.00 1.01 0.00 0.00 42.92 41.46 1xxj s ASP 133 CO -0.14 0.03 0.02 -0.69 0.21 0.00 0.00 175.17 174.60 1xxj s VAL 134 N 0.20 1.42 -0.11 -1.27 1.01 -0.41 -0.64 120.40 120.59 1xxj s VAL 134 Ca 0.31 -1.44 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 1xxj s VAL 134 Cb -0.17 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1xxj s VAL 134 CO 0.16 -0.37 0.09 -0.69 0.00 0.00 0.00 175.10 174.29 1xxj s VAL 135 N 1.40 5.06 -0.12 2.92 1.01 -1.20 -0.76 120.40 128.70 1xxj s VAL 135 Ca 0.02 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1xxj s VAL 135 Cb -0.18 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1xxj s VAL 135 CO -0.12 0.61 1.62 -0.70 0.00 0.00 0.00 175.10 176.50 1xxj s GLU 136 N -0.90 4.05 0.00 2.72 2.12 -0.05 -2.54 118.70 124.10 1xxj s GLU 136 Ca 0.14 1.99 0.00 0.00 0.36 0.00 0.00 54.97 57.45 1xxj s GLU 136 Cb -0.12 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.28 1xxj s GLU 136 CO 0.03 -0.99 0.00 0.41 -0.54 0.00 0.00 175.26 174.17 1xxj n GLY 137 N 4.27 0.43 2.75 -1.50 0.00 -1.26 -4.91 105.19 104.97 1xxj n GLY 137 Ca 0.18 -0.89 -0.03 0.00 0.00 0.00 0.00 46.02 45.28 1xxj n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xxj n LYS 138 N -2.95 1.48 -0.00 1.61 4.76 -1.05 -5.15 118.16 116.86 1xxj n LYS 138 Ca 0.00 -2.63 0.00 0.00 -2.87 0.00 0.00 58.31 52.81 1xxj n LYS 138 Cb 0.00 -0.80 -0.00 0.00 -1.84 0.00 0.00 35.03 32.39 1xxj n LYS 138 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xxj n GLY 139 N -0.80 -0.01 3.52 0.72 0.00 -1.25 -4.54 105.19 102.82 1xxj n GLY 139 Ca -0.01 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1xxj n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxj s ILE 140 N -0.25 5.22 -0.21 -0.61 1.01 0.24 -3.24 121.20 123.36 1xxj s ILE 140 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 1xxj s ILE 140 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1xxj s ILE 140 CO 0.00 -0.00 0.44 -1.81 0.00 0.00 0.00 174.94 173.56 1xxj s ASP 141 N 1.71 6.47 -0.25 3.58 1.01 0.18 -2.22 116.67 127.15 1xxj s ASP 141 Ca 0.06 0.55 -0.01 0.00 0.71 0.00 0.00 52.55 53.86 1xxj s ASP 141 Cb -0.17 -2.25 0.07 0.00 1.01 0.00 0.00 42.92 41.58 1xxj s ASP 141 CO 0.10 -0.12 0.03 -0.63 0.21 0.00 0.00 175.17 174.76 1xxj s ILE 142 N 1.47 1.02 -0.24 0.77 1.01 -1.26 -0.04 121.20 123.93 1xxj s ILE 142 Ca 0.20 -1.10 -0.15 0.00 0.00 0.00 0.00 60.65 59.60 1xxj s ILE 142 Cb -0.15 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1xxj s ILE 142 CO 0.09 -0.34 0.36 -0.54 0.00 0.00 0.00 174.94 174.51 1xxj s LYS 143 N 1.60 4.09 0.21 2.79 1.02 -0.43 -2.17 119.74 126.84 1xxj s LYS 143 Ca 0.01 0.07 0.04 0.00 0.02 0.00 0.00 55.97 56.12 1xxj s LYS 143 Cb -0.18 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 1xxj s LYS 143 CO -0.13 -0.14 0.29 -1.12 -0.92 0.00 0.00 175.35 173.34 1xxj s SER 144 N 1.31 6.14 0.12 2.83 0.01 -1.01 -1.36 113.70 121.74 1xxj s SER 144 Ca 0.16 0.04 -0.25 0.00 1.31 0.00 0.00 55.95 57.21 1xxj s SER 144 Cb -0.15 -1.77 0.07 0.00 0.21 0.00 0.00 66.02 64.38 1xxj s SER 144 CO 0.08 -0.01 0.79 -0.94 0.41 0.00 0.00 173.24 173.57 1xxj s SER 145 N -3.64 -0.37 -0.00 2.44 1.04 -0.73 -0.73 113.70 111.72 1xxj s SER 145 Ca 0.34 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.62 1xxj s SER 145 Cb -0.10 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1xxj s SER 145 CO 0.28 -0.90 -0.12 -1.48 0.98 0.00 0.00 173.24 172.00 1xxj s LEU 146 N -2.73 2.05 0.17 2.42 0.05 -0.81 -1.10 118.68 118.73 1xxj s LEU 146 Ca 0.06 -0.25 -0.07 0.00 0.05 0.00 0.00 54.13 53.93 1xxj s LEU 146 Cb -0.02 -0.58 -0.02 0.00 -2.05 0.00 0.00 46.19 43.53 1xxj s LEU 146 CO -0.05 0.12 0.23 -0.94 -0.55 0.00 0.00 176.35 175.15 1xxj s SER 147 N -0.43 0.10 -1.36 1.48 1.04 0.18 -1.61 113.70 113.11 1xxj s SER 147 Ca 0.04 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1xxj s SER 147 Cb -0.05 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1xxj s SER 147 CO -0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1xxj n GLY 148 N -0.20 0.23 3.51 7.32 0.00 -1.23 -0.69 105.19 114.12 1xxj n GLY 148 Ca -0.06 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1xxj n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xxj s LEU 149 N -4.05 4.48 -0.23 0.99 2.96 -1.23 -3.75 118.68 117.85 1xxj s LEU 149 Ca 0.00 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1xxj s LEU 149 Cb 0.00 -2.74 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 1xxj s LEU 149 CO 0.00 -0.88 0.01 -0.89 -1.32 0.00 0.00 176.35 173.28 1xxj s THR 150 N 3.01 3.86 0.13 3.68 2.01 -1.26 0.16 115.64 127.23 1xxj s THR 150 Ca 0.24 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1xxj s THR 150 Cb -0.14 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1xxj s THR 150 CO 0.19 0.39 -0.07 0.68 -0.69 0.00 0.00 174.62 175.11 1xxj s VAL 151 N 1.44 0.90 -0.09 3.82 -7.23 -0.60 -5.01 120.40 113.62 1xxj s VAL 151 Ca 0.05 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 1xxj s VAL 151 Cb -0.15 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 35.03 1xxj s VAL 151 CO 0.01 -0.77 0.43 -0.22 -0.31 0.00 0.00 175.10 174.23 1xxj s LEU 152 N -3.11 0.37 -0.05 1.32 0.20 -1.26 -1.41 118.68 114.73 1xxj s LEU 152 Ca 0.15 0.55 0.01 0.00 0.69 0.00 0.00 54.13 55.53 1xxj s LEU 152 Cb 0.04 1.58 0.02 0.00 -0.43 0.00 0.00 46.19 47.41 1xxj s LEU 152 CO -0.01 -0.34 -0.06 -1.59 -0.29 0.00 0.00 176.35 174.05 1xxj s LYS 153 N -0.61 1.05 0.50 1.98 -2.85 0.86 -4.98 119.74 115.68 1xxj s LYS 153 Ca -0.07 -0.17 0.28 0.00 -1.00 0.00 0.00 55.97 55.01 1xxj s LYS 153 Cb -0.03 -1.01 1.25 0.00 -2.06 0.00 0.00 37.83 35.98 1xxj s LYS 153 CO 0.04 -0.08 1.96 0.66 0.10 0.00 0.00 175.35 178.03 1xxj h SER 154 N 7.24 0.00 -0.63 0.03 4.64 -1.89 -2.25 113.55 120.68 1xxj h SER 154 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1xxj h SER 154 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1xxj h SER 154 CO 0.46 0.14 0.00 1.07 -0.87 0.00 0.00 176.83 177.63 1xxj n THR 155 N -3.39 0.00 -3.52 2.95 5.66 -1.26 -4.20 114.28 110.52 1xxj n THR 155 Ca -0.01 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.78 1xxj n THR 155 Cb 0.33 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.19 1xxj n THR 155 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xxj n ASN 156 N -0.82 -4.65 -3.72 1.09 4.13 -1.26 -4.84 115.26 105.19 1xxj n ASN 156 Ca 0.00 -0.57 -0.12 0.00 1.68 0.00 0.00 54.58 55.58 1xxj n ASN 156 Cb 0.00 -5.03 -0.12 0.00 -1.54 0.00 0.00 39.78 33.09 1xxj n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1xxj s SER 157 N -3.73 -0.37 0.13 6.41 0.15 -1.26 -2.04 113.70 112.99 1xxj s SER 157 Ca 0.35 0.68 0.01 0.00 0.70 0.00 0.00 55.95 57.70 1xxj s SER 157 Cb -0.16 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1xxj s SER 157 CO 0.72 -0.17 -0.02 0.00 1.20 0.00 0.00 173.24 174.98 1xxj s GLN 158 N 1.12 0.93 -0.29 5.44 -2.07 0.20 -1.30 119.66 123.68 1xxj s GLN 158 Ca -0.08 -1.42 0.02 0.00 -1.82 0.00 0.00 55.36 52.07 1xxj s GLN 158 Cb -0.08 -0.13 0.16 0.00 -1.09 0.00 0.00 33.01 31.87 1xxj s GLN 158 CO -0.09 -0.10 0.43 0.12 -1.32 0.00 0.00 175.29 174.33 1xxj s PHE 159 N -3.72 -1.09 0.14 9.60 5.36 -0.36 -4.18 117.98 123.73 1xxj s PHE 159 Ca 0.18 0.40 -0.11 0.00 -0.96 0.00 0.00 56.93 56.44 1xxj s PHE 159 Cb 0.06 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 1xxj s PHE 159 CO -0.01 -0.99 0.29 1.67 -1.46 0.00 0.00 175.22 174.72 1xxj s TRP 160 N 2.57 0.18 0.00 10.12 1.48 -1.26 -0.91 118.94 131.12 1xxj s TRP 160 Ca 0.10 -0.56 0.00 0.00 -1.06 0.00 0.00 56.10 54.58 1xxj s TRP 160 Cb -0.12 0.03 0.00 0.00 -1.16 0.00 0.00 33.47 32.22 1xxj s TRP 160 CO -0.30 -0.67 0.00 0.41 -4.06 0.00 0.00 176.95 172.33 1xxj n GLY 161 N -0.17 0.57 3.77 3.67 0.00 -1.26 -5.01 105.19 106.75 1xxj n GLY 161 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1xxj n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xxj s PHE 162 N -2.28 2.63 0.26 1.61 -0.71 -1.26 -4.96 117.98 113.25 1xxj s PHE 162 Ca 0.00 1.29 -0.30 0.00 -1.04 0.00 0.00 56.93 56.87 1xxj s PHE 162 Cb 0.00 -3.10 -0.10 0.00 -1.21 0.00 0.00 43.02 38.61 1xxj s PHE 162 CO 0.00 -1.95 1.50 -1.17 -1.34 0.00 0.00 175.22 172.26 1xxj s LEU 163 N -5.94 4.37 0.08 -1.99 0.20 -1.26 -5.02 118.68 109.12 1xxj s LEU 163 Ca 0.62 2.75 0.09 0.00 0.69 0.00 0.00 54.13 58.28 1xxj s LEU 163 Cb -0.16 -3.62 -0.03 0.00 -0.43 0.00 0.00 46.19 41.94 1xxj s LEU 163 CO 0.56 -0.78 -0.25 -0.13 -0.29 0.00 0.00 176.35 175.46 1xxj s ARG 164 N -0.29 1.48 0.00 1.98 0.52 -1.26 -4.95 118.95 116.43 1xxj s ARG 164 Ca 0.61 -1.16 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1xxj s ARG 164 Cb -0.44 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1xxj s ARG 164 CO 0.44 0.44 0.00 -0.40 0.02 0.00 0.00 175.30 175.79 1xxj n ASP 165 N 1.41 0.00 0.00 0.23 3.85 -1.26 -4.99 116.55 115.79 1xxj n ASP 165 Ca -0.18 -0.72 0.06 0.00 -0.71 0.00 0.00 54.79 53.24 1xxj n ASP 165 Cb 0.53 0.00 0.35 0.00 -1.35 0.00 0.00 41.12 40.64 1xxj n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1xxj n GLU 166 N 0.00 0.39 -0.01 0.11 0.00 -1.26 -1.45 120.64 118.42 1xxj n GLU 166 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.24 1xxj n GLU 166 Cb 0.00 -1.47 -0.13 0.00 0.00 0.00 0.00 31.44 29.84 1xxj n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1xxj n TYR 167 N -0.97 0.00 -2.66 -1.84 4.01 -1.26 -5.01 117.16 109.43 1xxj n TYR 167 Ca 0.09 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.43 1xxj n TYR 167 Cb 0.04 -0.36 -0.05 0.00 -0.31 0.00 0.00 39.34 38.65 1xxj n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xxj s THR 168 N -3.11 3.89 0.00 -0.72 2.01 -0.53 -4.91 115.64 112.26 1xxj s THR 168 Ca -0.06 1.89 0.00 0.00 0.31 0.00 0.00 61.69 63.83 1xxj s THR 168 Cb 0.10 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.42 1xxj s THR 168 CO 0.68 0.44 0.14 0.35 -0.69 0.00 0.00 174.62 175.54 1xxj n THR 169 N 1.35 0.00 -2.89 -0.82 -2.24 -1.26 -4.82 114.28 103.60 1xxj n THR 169 Ca -0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1xxj n THR 169 Cb 0.46 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 1xxj n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xxj s LEU 170 N 0.00 4.08 0.24 3.22 2.96 -1.26 -5.02 118.68 122.90 1xxj s LEU 170 Ca 0.00 1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 54.64 1xxj s LEU 170 Cb 0.00 -3.19 -0.09 0.00 0.50 0.00 0.00 46.19 43.41 1xxj s LEU 170 CO 0.00 -0.52 1.18 -0.54 -1.32 0.00 0.00 176.35 175.15 1xxj s LYS 171 N 2.85 4.52 0.86 1.98 1.02 -1.26 -5.01 119.74 124.71 1xxj s LYS 171 Ca 0.35 1.91 -0.11 0.00 0.02 0.00 0.00 55.97 58.14 1xxj s LYS 171 Cb -0.15 -3.19 0.11 0.00 -0.52 0.00 0.00 37.83 34.08 1xxj s LYS 171 CO 0.07 0.00 1.11 -1.21 -0.92 0.00 0.00 175.35 174.41 1xxj s GLU 172 N -0.90 1.47 -0.07 1.68 2.02 -1.26 -4.99 118.70 116.64 1xxj s GLU 172 Ca 0.49 1.26 -0.14 0.00 0.02 0.00 0.00 54.97 56.60 1xxj s GLU 172 Cb -0.34 -1.80 0.03 0.00 0.10 0.00 0.00 34.13 32.12 1xxj s GLU 172 CO 0.41 -2.22 0.34 -0.08 0.02 0.00 0.00 175.26 173.72 1xxj s THR 173 N -2.78 0.03 -1.11 3.63 -1.32 -0.09 -4.97 115.64 109.02 1xxj s THR 173 Ca 0.64 -0.23 0.09 0.00 -1.21 0.00 0.00 61.69 60.98 1xxj s THR 173 Cb -0.20 -0.56 0.07 0.00 -1.51 0.00 0.00 72.50 70.30 1xxj s THR 173 CO 0.57 -0.13 0.79 0.79 -2.21 0.00 0.00 174.62 174.44 1xxj n TRP 174 N 2.07 0.01 -3.65 9.09 8.01 -1.26 -1.22 117.44 130.48 1xxj n TRP 174 Ca -0.17 -0.01 -0.03 0.00 -1.31 0.00 0.00 57.50 55.98 1xxj n TRP 174 Cb 0.57 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.81 1xxj n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1xxj s ASP 175 N -0.75 -1.02 0.16 -0.99 -1.08 -1.24 -4.65 116.67 107.09 1xxj s ASP 175 Ca 0.11 1.51 -0.16 0.00 -0.52 0.00 0.00 52.55 53.49 1xxj s ASP 175 Cb 0.08 2.01 0.03 0.00 -1.46 0.00 0.00 42.92 43.57 1xxj s ASP 175 CO 0.11 -0.22 0.43 0.00 0.52 0.00 0.00 175.17 176.01 1xxj s ARG 176 N 2.58 1.20 0.07 4.34 1.70 -0.42 -4.98 118.95 123.44 1xxj s ARG 176 Ca -0.07 -0.83 -0.27 0.00 -0.47 0.00 0.00 55.73 54.09 1xxj s ARG 176 Cb -0.10 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 1xxj s ARG 176 CO -0.19 -0.48 0.85 0.42 -1.08 0.00 0.00 175.30 174.82 1xxj s ILE 177 N -3.85 4.65 -0.11 4.99 1.01 -1.26 -4.11 121.20 122.51 1xxj s ILE 177 Ca 0.07 1.81 0.03 0.00 0.00 0.00 0.00 60.65 62.57 1xxj s ILE 177 Cb 0.01 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.28 1xxj s ILE 177 CO -0.07 0.34 -0.22 -0.22 0.00 0.00 0.00 174.94 174.77 1xxj s LEU 178 N 0.00 2.19 -0.17 2.97 2.96 -0.85 -4.80 118.68 120.99 1xxj s LEU 178 Ca 0.42 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.69 1xxj s LEU 178 Cb -0.22 -1.45 0.05 0.00 0.50 0.00 0.00 46.19 45.08 1xxj s LEU 178 CO 0.26 0.15 0.43 -0.55 -1.32 0.00 0.00 176.35 175.31 1xxj s SER 179 N 0.42 -0.50 0.31 3.68 0.15 -1.26 -0.10 113.70 116.40 1xxj s SER 179 Ca -0.16 0.90 -0.10 0.00 0.70 0.00 0.00 55.95 57.29 1xxj s SER 179 Cb -0.17 0.83 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 1xxj s SER 179 CO 0.07 -0.18 0.55 0.28 1.20 0.00 0.00 173.24 175.16 1xxj s THR 180 N 0.98 0.00 -0.24 6.45 -1.32 -0.50 -0.92 115.64 120.09 1xxj s THR 180 Ca -0.06 -1.38 -0.03 0.00 -1.21 0.00 0.00 61.69 59.01 1xxj s THR 180 Cb -0.06 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.45 1xxj s THR 180 CO -0.08 0.00 -0.05 -1.81 -2.21 0.00 0.00 174.62 170.47 1xxj s ASP 181 N -3.11 4.34 -0.19 8.08 1.01 -1.25 -1.56 116.67 123.99 1xxj s ASP 181 Ca 0.24 -0.74 -0.23 0.00 0.71 0.00 0.00 52.55 52.53 1xxj s ASP 181 Cb -0.02 -1.69 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 1xxj s ASP 181 CO 0.14 -0.11 0.72 -0.69 0.21 0.00 0.00 175.17 175.44 1xxj s VAL 182 N 1.38 4.95 -0.28 -1.27 1.01 0.41 -4.02 120.40 122.58 1xxj s VAL 182 Ca 0.02 1.38 -0.00 0.00 0.00 0.00 0.00 61.98 63.38 1xxj s VAL 182 Cb -0.16 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.24 1xxj s VAL 182 CO -0.04 0.06 -0.05 -0.62 0.00 0.00 0.00 175.10 174.46 1xxj s ASP 183 N 1.20 4.64 -0.19 3.32 -1.08 -0.89 -3.47 116.67 120.19 1xxj s ASP 183 Ca 0.33 -1.23 0.01 0.00 -0.52 0.00 0.00 52.55 51.13 1xxj s ASP 183 Cb -0.16 -1.65 0.04 0.00 -1.46 0.00 0.00 42.92 39.69 1xxj s ASP 183 CO 0.11 -0.21 -0.10 0.00 0.52 0.00 0.00 175.17 175.48 1xxj s ALA 184 N 1.22 1.93 -0.14 3.66 0.00 -0.63 -0.53 121.76 127.28 1xxj s ALA 184 Ca -0.05 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 1xxj s ALA 184 Cb -0.19 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 1xxj s ALA 184 CO -0.03 -0.75 -0.11 0.99 0.00 0.00 0.00 175.76 175.86 1xxj s THR 185 N 1.43 3.17 -0.25 0.00 2.01 0.12 -1.92 115.64 120.21 1xxj s THR 185 Ca -0.00 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1xxj s THR 185 Cb -0.16 -2.35 0.06 0.00 0.01 0.00 0.00 72.50 70.07 1xxj s THR 185 CO -0.09 0.52 -0.06 -1.66 -0.69 0.00 0.00 174.62 172.64 1xxj s TRP 186 N 0.39 2.66 0.51 4.92 -2.14 0.09 0.10 118.94 125.48 1xxj s TRP 186 Ca -0.09 -1.94 -0.20 0.00 2.66 0.00 0.00 56.10 56.53 1xxj s TRP 186 Cb -0.16 -1.71 -0.08 0.00 -3.10 0.00 0.00 33.47 28.43 1xxj s TRP 186 CO 0.05 -0.81 1.06 -1.14 -2.66 0.00 0.00 176.95 173.45 1xxj s GLN 187 N 1.30 3.67 0.10 3.25 0.74 -0.72 -2.41 119.66 125.59 1xxj s GLN 187 Ca -0.06 1.39 0.04 0.00 0.05 0.00 0.00 55.36 56.78 1xxj s GLN 187 Cb -0.19 -2.07 -0.04 0.00 1.10 0.00 0.00 33.01 31.81 1xxj s GLN 187 CO -0.06 -0.55 0.07 -1.58 -0.55 0.00 0.00 175.29 172.62 1xxj s TRP 188 N -1.99 3.12 0.44 1.67 0.52 -0.92 -2.20 118.94 119.59 1xxj s TRP 188 Ca 0.68 0.03 -0.25 0.00 0.02 0.00 0.00 56.10 56.58 1xxj s TRP 188 Cb -0.18 -1.57 -0.08 0.00 -1.15 0.00 0.00 33.47 30.49 1xxj s TRP 188 CO 0.23 0.51 1.31 0.21 0.02 0.00 0.00 176.95 179.23 1xxj s LYS 189 N -2.51 3.78 0.21 4.98 2.20 -0.40 -4.60 119.74 123.41 1xxj s LYS 189 Ca 0.29 2.15 -0.30 0.00 -0.36 0.00 0.00 55.97 57.75 1xxj s LYS 189 Cb -0.12 -2.62 -0.16 0.00 -1.51 0.00 0.00 37.83 33.43 1xxj s LYS 189 CO 0.21 -0.65 0.96 -1.71 -0.36 0.00 0.00 175.35 173.81 1xxj n ASN 190 N -0.17 0.69 -4.63 1.43 2.85 -1.26 -4.89 115.26 109.29 1xxj n ASN 190 Ca 0.05 1.15 -0.33 0.00 -0.11 0.00 0.00 54.58 55.35 1xxj n ASN 190 Cb 0.44 -1.17 -0.10 0.00 1.24 0.00 0.00 39.78 40.19 1xxj n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xxj s PHE 191 N -0.68 3.00 0.13 1.20 0.08 -0.94 -4.95 117.98 115.82 1xxj s PHE 191 Ca 0.67 0.05 -0.19 0.00 0.12 0.00 0.00 56.93 57.58 1xxj s PHE 191 Cb -0.83 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1xxj s PHE 191 CO 0.56 0.40 1.76 0.66 -0.10 0.00 0.00 175.22 178.51 1xxj h SER 192 N 4.80 0.17 -0.78 1.36 4.64 -1.93 0.68 113.55 122.49 1xxj h SER 192 Ca -0.49 0.01 0.13 0.00 -0.47 0.00 0.00 61.79 60.97 1xxj h SER 192 Cb 1.18 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1xxj h SER 192 CO 0.54 0.13 0.33 0.61 -0.87 0.00 0.00 176.83 177.58 1xxj n GLY 193 N -1.17 0.39 0.52 -0.77 0.00 -1.26 -3.99 105.19 98.91 1xxj n GLY 193 Ca -0.02 -0.89 0.33 0.00 0.00 0.00 0.00 46.02 45.44 1xxj n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xxj h LEU 194 N 0.00 0.00 0.07 0.99 6.46 -1.93 0.09 115.31 120.98 1xxj h LEU 194 Ca -0.07 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.41 1xxj h LEU 194 Cb 0.41 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1xxj h LEU 194 CO 0.10 0.00 -1.20 1.56 -0.62 0.00 0.00 178.44 178.28 1xxj h GLN 195 N 0.00 0.46 -0.09 1.25 7.50 -1.99 -2.26 115.11 119.99 1xxj h GLN 195 Ca 0.51 -0.65 -0.03 0.00 0.50 0.00 0.00 58.65 58.98 1xxj h GLN 195 Cb 2.31 0.22 -0.00 0.00 0.05 0.00 0.00 27.48 30.06 1xxj h GLN 195 CO -0.01 1.28 -0.07 1.49 -1.50 0.00 0.00 178.83 180.02 1xxj h GLU 196 N 0.19 0.21 0.16 1.46 4.81 -1.40 -2.26 114.58 117.76 1xxj h GLU 196 Ca -0.16 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1xxj h GLU 196 Cb 1.88 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.24 1xxj h GLU 196 CO 0.22 0.61 -0.35 0.28 -0.73 0.00 0.00 179.01 179.03 1xxj h VAL 197 N -0.18 0.00 -1.26 0.32 2.07 -1.50 -0.94 116.25 114.76 1xxj h VAL 197 Ca 0.02 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.97 1xxj h VAL 197 Cb 0.56 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.19 1xxj h VAL 197 CO 0.02 0.00 0.79 0.03 0.02 0.00 0.00 177.57 178.43 1xxj h ARG 198 N -0.56 0.07 0.68 1.57 3.08 -1.45 0.18 114.38 117.95 1xxj h ARG 198 Ca -0.02 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1xxj h ARG 198 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1xxj h ARG 198 CO -0.15 0.04 -0.47 0.66 -1.07 0.00 0.00 179.97 178.99 1xxj h SER 199 N 0.07 -1.21 0.70 7.04 4.64 -0.55 -3.14 113.55 121.10 1xxj h SER 199 Ca 0.84 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 62.23 1xxj h SER 199 Cb 2.52 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 64.98 1xxj h SER 199 CO -0.50 -0.69 0.00 1.41 -0.87 0.00 0.00 176.83 176.17 1xxj n HIS 200 N -5.37 0.08 0.00 4.77 8.25 0.57 -4.59 115.22 118.94 1xxj n HIS 200 Ca -0.13 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1xxj n HIS 200 Cb 0.46 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.03 1xxj n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xxj n VAL 201 N -1.57 0.00 0.12 1.59 0.31 -0.89 0.14 118.33 118.03 1xxj n VAL 201 Ca 0.05 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.57 1xxj n VAL 201 Cb 0.24 0.00 0.76 0.00 -0.91 0.00 0.00 33.84 33.93 1xxj n VAL 201 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xxj h PRO 202 N 0.00 0.00 0.09 5.55 0.11 -1.87 -2.05 132.00 133.83 1xxj h PRO 202 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xxj h PRO 202 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1xxj h PRO 202 CO 0.00 0.00 -0.04 0.87 -0.21 0.00 0.00 178.00 178.62 1xxj h LYS 203 N 0.00 -0.12 0.00 1.05 1.57 0.85 -3.29 116.57 116.63 1xxj h LYS 203 Ca 0.17 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1xxj h LYS 203 Cb 0.88 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1xxj h LYS 203 CO -0.00 0.07 0.00 1.19 -0.57 0.00 0.00 179.45 180.14 1xxj n PHE 204 N -5.07 0.00 -0.05 -1.35 3.72 -0.77 -0.14 117.46 113.81 1xxj n PHE 204 Ca -0.08 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.55 1xxj n PHE 204 Cb 0.14 -0.22 0.71 0.00 -0.94 0.00 0.00 39.48 39.17 1xxj n PHE 204 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1xxj h ASP 205 N 0.00 0.00 0.21 4.37 3.32 -1.72 -1.98 116.42 120.62 1xxj h ASP 205 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1xxj h ASP 205 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 1xxj h ASP 205 CO 0.00 0.00 -1.37 0.00 -1.72 0.00 0.00 179.24 176.15 1xxj h ALA 206 N 1.62 -0.12 -0.05 3.45 0.00 -1.03 -2.77 119.26 120.36 1xxj h ALA 206 Ca 0.30 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xxj h ALA 206 Cb 1.28 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1xxj h ALA 206 CO -0.00 0.66 0.03 1.15 0.00 0.00 0.00 179.25 181.09 1xxj h THR 207 N 0.14 1.06 -0.63 0.00 2.02 0.17 -1.36 112.91 114.31 1xxj h THR 207 Ca -0.23 -0.17 0.12 0.00 0.77 0.00 0.00 66.41 66.90 1xxj h THR 207 Cb 2.06 1.08 -0.09 0.00 -1.74 0.00 0.00 68.15 69.46 1xxj h THR 207 CO 0.26 0.05 0.14 -0.25 0.37 0.00 0.00 175.52 176.09 1xxj h TRP 208 N 0.01 0.22 -0.46 3.16 7.01 -1.49 0.56 115.95 124.96 1xxj h TRP 208 Ca 0.02 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 1xxj h TRP 208 Cb 0.06 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 1xxj h TRP 208 CO -0.05 -0.04 0.03 0.00 -2.79 0.00 0.00 178.44 175.59 1xxj h ALA 209 N 1.51 1.18 -0.06 2.65 0.00 -1.20 -2.07 119.26 121.27 1xxj h ALA 209 Ca 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xxj h ALA 209 Cb 0.52 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xxj h ALA 209 CO -0.42 0.54 -0.01 1.15 0.00 0.00 0.00 179.25 180.50 1xxj h THR 210 N 0.71 1.29 -0.93 0.00 2.02 0.43 -1.19 112.91 115.24 1xxj h THR 210 Ca 0.14 -0.91 0.12 0.00 0.77 0.00 0.00 66.41 66.54 1xxj h THR 210 Cb 0.39 1.78 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 1xxj h THR 210 CO 0.01 0.25 0.59 0.00 0.37 0.00 0.00 175.52 176.74 1xxj h ALA 211 N 0.66 1.68 0.21 6.16 0.00 0.13 0.87 119.26 128.98 1xxj h ALA 211 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xxj h ALA 211 Cb 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xxj h ALA 211 CO 0.01 0.09 -0.10 -0.09 0.00 0.00 0.00 179.25 179.15 1xxj h ARG 212 N 0.84 -0.27 -0.32 0.00 2.43 -1.25 -1.47 114.38 114.33 1xxj h ARG 212 Ca 0.46 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.68 1xxj h ARG 212 Cb 0.57 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1xxj h ARG 212 CO -0.22 0.11 0.11 1.49 -1.51 0.00 0.00 179.97 179.95 1xxj h GLU 213 N -0.77 0.24 0.44 0.20 4.81 -0.52 0.47 114.58 119.46 1xxj h GLU 213 Ca -0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1xxj h GLU 213 Cb 0.51 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1xxj h GLU 213 CO 0.05 0.16 -0.37 0.28 -0.73 0.00 0.00 179.01 178.40 1xxj h VAL 214 N 0.25 0.24 -0.22 0.32 2.07 0.68 -0.39 116.25 119.21 1xxj h VAL 214 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1xxj h VAL 214 Cb 0.12 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 1xxj h VAL 214 CO -0.15 0.00 -0.44 0.74 0.02 0.00 0.00 177.57 177.74 1xxj h THR 215 N -0.81 0.00 -0.15 2.57 2.02 -0.78 -0.56 112.91 115.19 1xxj h THR 215 Ca -0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1xxj h THR 215 Cb 0.71 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1xxj h THR 215 CO -0.02 0.00 -0.41 -0.07 0.37 0.00 0.00 175.52 175.39 1xxj h LEU 216 N -0.39 -1.30 -0.42 2.58 4.07 0.03 -1.86 115.31 118.01 1xxj h LEU 216 Ca 0.04 0.16 0.08 0.00 0.08 0.00 0.00 57.88 58.24 1xxj h LEU 216 Cb 0.51 0.52 -0.07 0.00 1.08 0.00 0.00 40.66 42.69 1xxj h LEU 216 CO -0.41 -0.34 -0.01 0.50 -1.08 0.00 0.00 178.44 177.10 1xxj h LYS 217 N -0.40 0.09 -0.44 1.13 3.64 -0.80 -1.18 116.57 118.62 1xxj h LYS 217 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xxj h LYS 217 Cb 0.49 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1xxj h LYS 217 CO -0.35 0.06 0.28 1.15 -2.27 0.00 0.00 179.45 178.32 1xxj h THR 218 N 0.10 1.13 -0.50 1.00 2.02 -1.01 -0.88 112.91 114.76 1xxj h THR 218 Ca 0.21 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1xxj h THR 218 Cb 0.30 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1xxj h THR 218 CO -0.36 0.13 0.31 0.15 0.37 0.00 0.00 175.52 176.12 1xxj h PHE 219 N 0.59 0.57 0.00 3.16 3.57 -0.94 -0.43 116.94 123.47 1xxj h PHE 219 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1xxj h PHE 219 Cb -0.03 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1xxj h PHE 219 CO -0.04 0.33 0.00 0.00 -2.23 0.00 0.00 178.31 176.38 1xxj h ALA 220 N 1.22 1.00 0.00 2.41 0.00 -0.73 -3.37 119.26 119.79 1xxj h ALA 220 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.83 1xxj h ALA 220 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1xxj h ALA 220 CO -0.08 0.00 -1.90 0.39 0.00 0.00 0.00 179.25 177.66 1xxj n GLU 221 N -3.00 0.40 -1.67 0.00 1.02 -0.38 -4.99 120.64 112.03 1xxj n GLU 221 Ca 0.01 0.17 -0.57 0.00 -0.02 0.00 0.00 57.16 56.76 1xxj n GLU 221 Cb 0.31 -1.18 -0.07 0.00 -0.02 0.00 0.00 31.44 30.48 1xxj n GLU 221 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xxj n ASP 222 N -3.90 2.32 -4.55 1.62 2.03 -0.21 -4.81 116.55 109.04 1xxj n ASP 222 Ca -0.34 0.99 -0.39 0.00 0.52 0.00 0.00 54.79 55.57 1xxj n ASP 222 Cb 0.72 -1.15 -0.03 0.00 -0.72 0.00 0.00 41.12 39.94 1xxj n ASP 222 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1xxj s ASN 223 N 4.10 5.81 0.08 1.67 3.84 -1.26 -4.83 114.94 124.35 1xxj s ASN 223 Ca 1.01 -0.36 -0.31 0.00 0.21 0.00 0.00 52.86 53.41 1xxj s ASN 223 Cb -1.06 -2.55 -0.09 0.00 -0.55 0.00 0.00 41.25 36.99 1xxj s ASN 223 CO 0.64 -2.07 1.79 -0.55 -2.79 0.00 0.00 177.10 174.12 1xxj s SER 224 N 5.79 6.50 -0.03 -4.21 0.15 -0.86 -4.92 113.70 116.11 1xxj s SER 224 Ca 0.51 2.63 0.08 0.00 0.70 0.00 0.00 55.95 59.86 1xxj s SER 224 Cb -0.08 -2.56 -0.24 0.00 -1.71 0.00 0.00 66.02 61.43 1xxj s SER 224 CO 0.12 -0.97 0.72 0.00 1.20 0.00 0.00 173.24 174.30 1xxj h ALA 225 N 8.91 0.62 -2.38 5.45 0.00 -1.91 0.58 119.26 130.54 1xxj h ALA 225 Ca -0.45 -1.35 0.07 0.00 0.00 0.00 0.00 54.91 53.17 1xxj h ALA 225 Cb 1.21 0.42 -0.15 0.00 0.00 0.00 0.00 17.79 19.27 1xxj h ALA 225 CO 0.94 1.46 0.41 -1.54 0.00 0.00 0.00 179.25 180.53 1xxj s SER 226 N -6.39 -0.43 0.21 0.00 1.04 -1.26 -4.38 113.70 102.48 1xxj s SER 226 Ca -0.07 0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.33 1xxj s SER 226 Cb 0.08 0.44 0.16 0.00 0.10 0.00 0.00 66.02 66.80 1xxj s SER 226 CO 0.82 -0.68 1.87 0.58 0.98 0.00 0.00 173.24 176.81 1xxj h VAL 227 N 2.10 1.16 -0.70 5.02 2.07 -1.93 -2.25 116.25 121.72 1xxj h VAL 227 Ca -0.25 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.09 1xxj h VAL 227 Cb 1.25 0.12 -0.11 0.00 -1.52 0.00 0.00 31.29 31.03 1xxj h VAL 227 CO 0.33 0.18 0.14 1.56 0.02 0.00 0.00 177.57 179.80 1xxj h GLN 228 N 0.96 0.24 -0.30 1.57 7.50 -1.96 -0.30 115.11 122.82 1xxj h GLN 228 Ca 0.27 -0.01 -0.17 0.00 0.50 0.00 0.00 58.65 59.24 1xxj h GLN 228 Cb -0.07 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.40 1xxj h GLN 228 CO -0.07 0.16 -0.49 0.00 -1.50 0.00 0.00 178.83 176.92 1xxj h ALA 229 N 1.59 0.56 -0.06 3.87 0.00 -1.81 -2.72 119.26 120.68 1xxj h ALA 229 Ca 0.39 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1xxj h ALA 229 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xxj h ALA 229 CO -0.50 0.68 -0.59 1.15 0.00 0.00 0.00 179.25 179.99 1xxj h THR 230 N 0.65 1.38 0.60 0.00 2.02 -0.88 -3.11 112.91 113.58 1xxj h THR 230 Ca 0.03 -1.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.23 1xxj h THR 230 Cb 1.08 1.99 0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1xxj h THR 230 CO 0.11 0.57 -0.29 0.24 0.37 0.00 0.00 175.52 176.53 1xxj h MET 231 N 0.16 -0.77 -0.98 6.66 2.07 -1.06 -2.94 114.93 118.06 1xxj h MET 231 Ca -0.00 0.05 0.27 0.00 -2.07 0.00 0.00 59.70 57.95 1xxj h MET 231 Cb 1.07 0.18 -0.14 0.00 -1.87 0.00 0.00 31.60 30.84 1xxj h MET 231 CO 0.09 -0.46 0.54 -0.92 1.07 0.00 0.00 176.91 177.23 1xxj h TYR 232 N -1.01 0.90 -0.55 -0.22 3.20 -1.51 0.30 116.97 118.08 1xxj h TYR 232 Ca -0.08 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1xxj h TYR 232 Cb 0.67 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1xxj h TYR 232 CO -0.00 -0.07 0.27 0.87 -1.64 0.00 0.00 178.16 177.59 1xxj h LYS 233 N 0.43 0.79 0.39 1.82 1.57 -1.49 -1.00 116.57 119.08 1xxj h LYS 233 Ca 0.67 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 1xxj h LYS 233 Cb 1.39 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1xxj h LYS 233 CO -0.55 0.64 -0.28 0.52 -0.57 0.00 0.00 179.45 179.22 1xxj h MET 234 N 0.74 -0.63 -0.65 3.15 2.86 -0.27 -2.38 114.93 117.74 1xxj h MET 234 Ca 0.19 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 58.01 1xxj h MET 234 Cb 0.11 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 31.81 1xxj h MET 234 CO -0.02 -0.42 0.04 0.00 1.06 0.00 0.00 176.91 177.57 1xxj h ALA 235 N -0.11 0.69 -0.32 6.32 0.00 -1.02 -2.35 119.26 122.47 1xxj h ALA 235 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xxj h ALA 235 Cb 0.56 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xxj h ALA 235 CO 0.01 -0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.27 1xxj n GLU 236 N -5.25 0.00 -0.08 0.00 1.02 -0.40 -1.29 120.64 114.63 1xxj n GLU 236 Ca 0.10 0.73 0.26 0.00 -0.02 0.00 0.00 57.16 58.24 1xxj n GLU 236 Cb 0.38 -1.45 0.68 0.00 -0.02 0.00 0.00 31.44 31.04 1xxj n GLU 236 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1xxj h GLN 237 N 0.00 0.00 0.18 3.49 4.20 -1.07 -0.05 115.11 121.85 1xxj h GLN 237 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1xxj h GLN 237 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1xxj h GLN 237 CO 0.00 0.00 -0.08 0.82 -0.67 0.00 0.00 178.83 178.90 1xxj h ILE 238 N 0.00 0.60 -1.00 2.54 1.08 -0.87 -2.02 117.51 117.85 1xxj h ILE 238 Ca 0.36 -1.09 0.15 0.00 -0.39 0.00 0.00 64.86 63.88 1xxj h ILE 238 Cb 1.80 1.04 -0.09 0.00 -3.07 0.00 0.00 36.82 36.49 1xxj h ILE 238 CO -0.00 0.17 0.62 -0.07 -0.69 0.00 0.00 178.15 178.18 1xxj h LEU 239 N -0.96 0.85 0.31 1.44 3.38 0.18 -2.38 115.31 118.12 1xxj h LEU 239 Ca -0.02 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xxj h LEU 239 Cb 0.45 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xxj h LEU 239 CO 0.04 0.39 -0.15 0.00 0.09 0.00 0.00 178.44 178.81 1xxj h ALA 240 N 1.59 -0.42 0.00 1.53 0.00 -1.10 -3.00 119.26 117.86 1xxj h ALA 240 Ca 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1xxj h ALA 240 Cb 0.68 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xxj h ALA 240 CO -0.31 -0.64 0.00 0.54 0.00 0.00 0.00 179.25 178.85 1xxj n ARG 241 N -5.19 0.23 -3.30 0.00 5.12 -0.76 -4.47 116.66 108.29 1xxj n ARG 241 Ca -0.10 0.11 -0.08 0.00 -1.93 0.00 0.00 57.85 55.85 1xxj n ARG 241 Cb 0.24 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.98 1xxj n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1xxj s GLN 242 N -2.32 0.41 0.23 5.56 2.00 -1.02 -5.00 119.66 119.52 1xxj s GLN 242 Ca 0.12 0.28 0.19 0.00 -2.00 0.00 0.00 55.36 53.95 1xxj s GLN 242 Cb 0.07 -0.28 0.90 0.00 0.80 0.00 0.00 33.01 34.50 1xxj s GLN 242 CO 0.14 -0.93 1.57 0.94 -0.50 0.00 0.00 175.29 176.51 1xxj n GLN 243 N 5.36 0.13 0.12 1.67 -0.06 -1.26 -2.02 117.38 121.31 1xxj n GLN 243 Ca -0.00 0.51 0.13 0.00 -2.00 0.00 0.00 57.00 55.64 1xxj n GLN 243 Cb 0.50 -1.83 0.39 0.00 -4.06 0.00 0.00 30.24 25.24 1xxj n GLN 243 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1xxj h LEU 244 N 0.00 0.00 -8.80 1.69 -0.00 -1.94 -3.45 115.31 102.81 1xxj h LEU 244 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 57.28 1xxj h LEU 244 Cb 0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.71 1xxj h LEU 244 CO 0.00 0.00 0.51 -0.63 -0.00 0.00 0.00 178.44 178.32 1xxj s ILE 245 N -3.12 4.63 0.20 1.22 -1.09 -0.86 -1.27 121.20 120.91 1xxj s ILE 245 Ca 0.10 1.02 0.05 0.00 -2.23 0.00 0.00 60.65 59.59 1xxj s ILE 245 Cb 0.11 -4.30 -0.10 0.00 -1.58 0.00 0.00 42.46 36.59 1xxj s ILE 245 CO 0.60 -0.54 1.46 -0.33 -1.23 0.00 0.00 174.94 174.90 1xxj h GLU 246 N 8.55 0.16 -3.15 2.79 5.08 -1.72 -3.48 114.58 122.81 1xxj h GLU 246 Ca -0.24 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1xxj h GLU 246 Cb 1.08 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.26 1xxj h GLU 246 CO 0.96 0.85 0.11 0.95 -1.00 0.00 0.00 179.01 180.88 1xxj s THR 247 N -3.39 0.02 -0.04 1.13 -4.23 -1.26 -3.87 115.64 104.01 1xxj s THR 247 Ca -0.03 -0.40 0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1xxj s THR 247 Cb 0.11 -1.27 0.01 0.00 1.34 0.00 0.00 72.50 72.69 1xxj s THR 247 CO 0.81 -0.09 -0.08 -0.69 -0.54 0.00 0.00 174.62 174.02 1xxj s VAL 248 N -3.81 0.78 -0.07 2.29 1.01 -0.50 -1.76 120.40 118.33 1xxj s VAL 248 Ca 0.04 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1xxj s VAL 248 Cb -0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1xxj s VAL 248 CO -0.08 0.26 -0.21 -0.70 0.00 0.00 0.00 175.10 174.36 1xxj s GLU 249 N 0.41 2.47 -0.04 2.72 2.12 0.29 0.04 118.70 126.71 1xxj s GLU 249 Ca -0.07 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 54.57 1xxj s GLU 249 Cb -0.11 -1.97 -0.01 0.00 0.26 0.00 0.00 34.13 32.30 1xxj s GLU 249 CO 0.01 0.21 -0.23 0.71 -0.54 0.00 0.00 175.26 175.42 1xxj s TYR 250 N 0.23 2.18 -0.13 5.30 2.02 -0.99 0.12 117.35 126.07 1xxj s TYR 250 Ca -0.12 -0.59 -0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1xxj s TYR 250 Cb -0.15 -1.43 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 1xxj s TYR 250 CO 0.06 -0.16 -0.07 0.45 -1.57 0.00 0.00 175.55 174.26 1xxj s SER 251 N -0.20 2.41 -0.25 2.29 0.15 0.31 -2.13 113.70 116.27 1xxj s SER 251 Ca -0.01 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.20 1xxj s SER 251 Cb -0.12 -0.87 0.08 0.00 -1.71 0.00 0.00 66.02 63.40 1xxj s SER 251 CO 0.02 -0.14 0.05 -0.76 1.20 0.00 0.00 173.24 173.61 1xxj s LEU 252 N 1.68 1.93 -0.09 3.45 1.43 -0.31 -2.10 118.68 124.67 1xxj s LEU 252 Ca 0.04 -1.25 -0.30 0.00 -1.03 0.00 0.00 54.13 51.59 1xxj s LEU 252 Cb -0.13 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 1xxj s LEU 252 CO -0.08 -0.34 1.31 -2.16 0.23 0.00 0.00 176.35 175.31 1xxj s PRO 253 N 1.66 4.27 -0.56 1.29 0.04 -1.26 -1.43 135.00 139.02 1xxj s PRO 253 Ca 0.03 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 62.61 1xxj s PRO 253 Cb -0.17 -3.69 0.05 0.00 0.04 0.00 0.00 34.50 30.73 1xxj s PRO 253 CO -0.15 -0.62 0.90 1.21 0.04 0.00 0.00 177.00 178.39 1xxj s ASN 254 N 1.94 6.30 -0.45 6.66 2.47 0.77 -3.81 114.94 128.82 1xxj s ASN 254 Ca 0.59 -0.52 -0.25 0.00 0.42 0.00 0.00 52.86 53.09 1xxj s ASN 254 Cb -0.26 -2.41 0.03 0.00 -1.45 0.00 0.00 41.25 37.15 1xxj s ASN 254 CO 0.21 -1.22 0.92 -0.54 -3.72 0.00 0.00 177.10 172.75 1xxj s LYS 255 N 3.79 3.57 0.31 0.43 1.02 -0.10 -2.41 119.74 126.35 1xxj s LYS 255 Ca 0.27 0.21 -0.27 0.00 0.02 0.00 0.00 55.97 56.19 1xxj s LYS 255 Cb -0.14 -3.91 -0.09 0.00 -0.52 0.00 0.00 37.83 33.17 1xxj s LYS 255 CO 0.17 -1.18 1.01 -1.01 -0.92 0.00 0.00 175.35 173.41 1xxj s HIS 256 N 3.71 3.64 -0.32 3.18 3.76 -1.26 -4.28 115.29 123.71 1xxj s HIS 256 Ca 0.37 1.76 0.02 0.00 -0.15 0.00 0.00 55.06 57.06 1xxj s HIS 256 Cb -0.10 -3.08 0.10 0.00 1.11 0.00 0.00 32.58 30.60 1xxj s HIS 256 CO 0.25 -0.12 0.06 0.71 -0.85 0.00 0.00 174.74 174.78 1xxj s TYR 257 N -1.40 2.92 0.52 1.40 1.51 -1.26 -1.18 117.35 119.85 1xxj s TYR 257 Ca 0.48 -2.44 -0.18 0.00 -1.01 0.00 0.00 57.07 53.92 1xxj s TYR 257 Cb -0.25 -2.37 -0.07 0.00 -0.11 0.00 0.00 41.96 39.16 1xxj s TYR 257 CO 0.31 -0.91 1.02 -0.06 -1.11 0.00 0.00 175.55 174.80 1xxj s PHE 258 N 1.20 3.16 0.34 2.71 0.08 -0.60 -4.82 117.98 120.05 1xxj s PHE 258 Ca 0.09 1.53 -0.15 0.00 0.12 0.00 0.00 56.93 58.53 1xxj s PHE 258 Cb -0.18 -2.94 -0.09 0.00 -0.57 0.00 0.00 43.02 39.24 1xxj s PHE 258 CO -0.14 -0.68 0.75 -1.21 -0.10 0.00 0.00 175.22 173.84 1xxj s GLU 259 N -3.69 3.98 -0.27 0.44 2.02 -1.26 -0.84 118.70 119.07 1xxj s GLU 259 Ca 0.63 0.66 -0.01 0.00 0.02 0.00 0.00 54.97 56.27 1xxj s GLU 259 Cb -0.13 -2.41 0.04 0.00 0.10 0.00 0.00 34.13 31.73 1xxj s GLU 259 CO 0.27 0.12 -0.05 0.42 0.02 0.00 0.00 175.26 176.04 1xxj s ILE 260 N -2.05 2.76 -0.14 -1.63 1.01 -1.25 -4.84 121.20 115.06 1xxj s ILE 260 Ca 0.54 -1.31 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 1xxj s ILE 260 Cb -0.10 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1xxj s ILE 260 CO 0.19 0.02 1.40 -0.62 0.00 0.00 0.00 174.94 175.93 1xxj s ASP 261 N 1.24 6.82 -0.07 3.58 -1.08 -1.26 -4.55 116.67 121.35 1xxj s ASP 261 Ca -0.04 1.84 0.10 0.00 -0.52 0.00 0.00 52.55 53.93 1xxj s ASP 261 Cb -0.19 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 38.89 1xxj s ASP 261 CO -0.03 -0.85 1.06 0.18 0.52 0.00 0.00 175.17 176.05 1xxj n LEU 262 N 6.90 1.94 0.04 -1.34 4.77 -1.26 -4.71 117.00 123.34 1xxj n LEU 262 Ca 0.15 -2.41 0.04 0.00 -0.03 0.00 0.00 56.01 53.76 1xxj n LEU 262 Cb 0.44 -0.23 0.43 0.00 -2.33 0.00 0.00 43.42 41.73 1xxj n LEU 262 CO 0.59 0.57 1.10 0.77 -1.33 0.00 0.00 177.39 179.08 1xxj h SER 263 N 0.00 0.40 0.00 -1.43 4.64 -1.69 -0.33 113.55 115.14 1xxj h SER 263 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1xxj h SER 263 Cb 0.86 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1xxj h SER 263 CO 0.00 0.34 0.14 4.11 -0.87 0.00 0.00 176.83 180.54 1xxj h TRP 264 N 0.46 0.00 -3.60 4.77 5.08 -1.84 -1.31 115.95 119.50 1xxj h TRP 264 Ca 0.12 0.00 -0.69 0.00 1.08 0.00 0.00 58.89 59.40 1xxj h TRP 264 Cb 0.04 0.00 -0.33 0.00 -3.00 0.00 0.00 29.16 25.86 1xxj h TRP 264 CO 0.00 0.00 -0.61 -1.58 -1.28 0.00 0.00 178.44 174.98 1xxj s HIS 265 N -3.83 3.44 -1.00 0.12 5.04 -0.15 -4.66 115.29 114.24 1xxj s HIS 265 Ca -0.03 -2.11 0.00 0.00 -1.54 0.00 0.00 55.06 51.38 1xxj s HIS 265 Cb 0.08 -2.74 0.00 0.00 0.04 0.00 0.00 32.58 29.97 1xxj s HIS 265 CO 0.27 -0.89 0.00 1.63 -2.34 0.00 0.00 174.74 173.41 1xxj n LYS 266 N 4.63 -2.19 -2.65 2.88 5.02 -1.26 -0.36 118.16 124.24 1xxj n LYS 266 Ca -0.07 0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 56.59 1xxj n LYS 266 Cb 0.42 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 1xxj n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxj n GLY 267 N -0.73 -0.51 3.74 0.72 0.00 -0.50 -4.90 105.19 103.02 1xxj n GLY 267 Ca -0.13 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1xxj n GLY 267 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xxj n LEU 268 N -3.31 4.20 -4.30 0.99 4.32 0.51 -4.79 117.00 114.63 1xxj n LEU 268 Ca -0.18 1.16 -0.45 0.00 -0.02 0.00 0.00 56.01 56.52 1xxj n LEU 268 Cb 0.65 -1.57 -0.05 0.00 -1.62 0.00 0.00 43.42 40.83 1xxj n LEU 268 CO 0.33 0.03 0.14 -1.10 -1.22 0.00 0.00 177.39 175.57 1xxj s GLN 269 N -0.80 2.97 -0.14 3.23 -0.21 -1.26 -1.91 119.66 121.54 1xxj s GLN 269 Ca 0.63 -1.80 0.18 0.00 0.02 0.00 0.00 55.36 54.38 1xxj s GLN 269 Cb -0.52 -4.26 0.31 0.00 1.00 0.00 0.00 33.01 29.55 1xxj s GLN 269 CO 0.52 -1.31 1.16 -1.71 -2.12 0.00 0.00 175.29 171.84 1xxj n ASN 270 N 5.06 2.26 -4.69 5.90 5.15 -1.26 -4.65 115.26 123.04 1xxj n ASN 270 Ca -0.10 -3.22 -0.29 0.00 -0.60 0.00 0.00 54.58 50.36 1xxj n ASN 270 Cb 0.41 -0.45 -0.09 0.00 -0.53 0.00 0.00 39.78 39.12 1xxj n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xxj s THR 271 N -2.94 1.74 0.00 -0.44 -4.23 -1.26 -3.97 115.64 104.55 1xxj s THR 271 Ca 0.33 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1xxj s THR 271 Cb 0.30 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1xxj s THR 271 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1xxj n GLY 272 N -1.12 2.45 0.26 3.99 0.00 -1.26 -1.06 105.19 108.44 1xxj n GLY 272 Ca -0.09 -0.20 0.16 0.00 0.00 0.00 0.00 46.02 45.89 1xxj n GLY 272 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xxj h LYS 273 N 0.00 0.00 -0.52 1.61 3.64 -1.99 -1.15 116.57 118.16 1xxj h LYS 273 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xxj h LYS 273 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xxj h LYS 273 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1xxj n ASN 274 N -2.64 4.95 -4.65 4.20 4.13 -0.23 -4.97 115.26 116.05 1xxj n ASN 274 Ca -0.02 -2.78 -0.43 0.00 1.68 0.00 0.00 54.58 53.03 1xxj n ASN 274 Cb 0.14 -0.61 -0.02 0.00 -1.54 0.00 0.00 39.78 37.75 1xxj n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xxj s ALA 275 N -2.45 3.62 0.01 5.41 0.00 -0.44 -4.12 121.76 123.79 1xxj s ALA 275 Ca 0.50 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1xxj s ALA 275 Cb 0.36 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1xxj s ALA 275 CO 0.17 -1.22 0.00 0.39 0.00 0.00 0.00 175.76 175.10 1xxj n GLU 276 N 6.59 0.00 -3.44 0.00 1.02 -1.26 -4.99 120.64 118.56 1xxj n GLU 276 Ca 0.13 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.90 1xxj n GLU 276 Cb 0.46 -0.48 -0.07 0.00 -0.02 0.00 0.00 31.44 31.32 1xxj n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xxj s VAL 277 N -2.00 5.24 0.22 2.62 1.01 -1.26 -5.08 120.40 121.15 1xxj s VAL 277 Ca 0.00 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.71 1xxj s VAL 277 Cb 0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1xxj s VAL 277 CO 0.00 0.31 -0.10 -0.36 0.00 0.00 0.00 175.10 174.95 1xxj s PHE 278 N 0.93 1.68 -0.32 5.22 0.40 -1.26 -3.90 117.98 120.72 1xxj s PHE 278 Ca 0.19 -0.67 -0.05 0.00 -0.60 0.00 0.00 56.93 55.79 1xxj s PHE 278 Cb -0.14 -0.86 0.04 0.00 0.51 0.00 0.00 43.02 42.57 1xxj s PHE 278 CO 0.07 0.25 0.07 0.00 0.70 0.00 0.00 175.22 176.30 1xxj s ALA 279 N -3.09 2.96 0.41 5.36 0.00 -0.02 -4.97 121.76 122.41 1xxj s ALA 279 Ca 0.24 -1.72 -0.25 0.00 0.00 0.00 0.00 51.96 50.23 1xxj s ALA 279 Cb 0.02 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.91 1xxj s ALA 279 CO 0.07 -1.27 1.22 -2.14 0.00 0.00 0.00 175.76 173.65 1xxj s PRO 280 N 1.36 3.98 -0.23 0.00 0.02 -1.26 -1.56 135.00 137.32 1xxj s PRO 280 Ca -0.02 1.96 -0.03 0.00 0.02 0.00 0.00 61.00 62.93 1xxj s PRO 280 Cb -0.19 -2.68 0.01 0.00 0.02 0.00 0.00 34.50 31.65 1xxj s PRO 280 CO 0.01 -0.42 -0.07 -0.65 -0.33 0.00 0.00 177.00 175.55 1xxj s GLN 281 N -2.31 3.15 0.31 5.54 -1.52 -0.32 -4.91 119.66 119.60 1xxj s GLN 281 Ca 0.58 -0.77 0.04 0.00 -1.95 0.00 0.00 55.36 53.26 1xxj s GLN 281 Cb -0.34 -2.95 0.52 0.00 -0.22 0.00 0.00 33.01 30.03 1xxj s GLN 281 CO 0.42 -0.27 1.80 0.77 -0.25 0.00 0.00 175.29 177.76 1xxj h SER 282 N 8.06 0.44 -4.65 5.90 0.02 -1.95 -3.40 113.55 117.98 1xxj h SER 282 Ca -0.39 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 60.51 1xxj h SER 282 Cb 1.14 -0.12 -0.16 0.00 0.14 0.00 0.00 62.40 63.40 1xxj h SER 282 CO 0.60 0.62 0.44 1.51 -1.14 0.00 0.00 176.83 178.87 1xxj s ASP 283 N -6.80 -0.41 0.53 3.07 1.47 -1.26 -4.78 116.67 108.49 1xxj s ASP 283 Ca -0.07 0.10 0.00 0.00 1.18 0.00 0.00 52.55 53.76 1xxj s ASP 283 Cb 0.14 0.41 0.00 0.00 -0.34 0.00 0.00 42.92 43.14 1xxj s ASP 283 CO 0.77 -0.63 0.00 -0.81 0.68 0.00 0.00 175.17 175.18 1xxj n PRO 284 N -0.06 0.40 -3.67 2.11 -0.04 -1.26 -5.13 135.00 127.34 1xxj n PRO 284 Ca -0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.21 1xxj n PRO 284 Cb 0.61 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.99 1xxj n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xxj s ASN 285 N -1.07 -0.45 0.41 3.54 4.22 -1.26 -4.73 114.94 115.60 1xxj s ASN 285 Ca 0.00 0.63 -0.24 0.00 -2.14 0.00 0.00 52.86 51.11 1xxj s ASN 285 Cb 0.00 0.66 -0.09 0.00 1.28 0.00 0.00 41.25 43.11 1xxj s ASN 285 CO 0.00 -0.38 1.09 -0.83 -2.04 0.00 0.00 177.10 174.94 1xxj s GLY 286 N -0.65 2.77 -0.09 0.45 0.00 -1.01 -4.81 107.32 103.97 1xxj s GLY 286 Ca -0.07 0.79 -0.00 0.00 0.00 0.00 0.00 44.72 45.43 1xxj s GLY 286 CO 0.04 1.24 -0.06 -2.27 0.00 0.00 0.00 173.10 172.05 1xxj s LEU 287 N -2.66 1.14 -0.16 0.66 2.96 -1.26 0.27 118.68 119.64 1xxj s LEU 287 Ca 0.58 -0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1xxj s LEU 287 Cb -0.25 -0.71 0.03 0.00 0.50 0.00 0.00 46.19 45.77 1xxj s LEU 287 CO 0.31 -0.11 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.52 1xxj s ILE 288 N 1.52 1.27 0.25 6.68 1.09 -0.51 -4.96 121.20 126.54 1xxj s ILE 288 Ca 0.00 -0.61 0.07 0.00 -1.10 0.00 0.00 60.65 59.01 1xxj s ILE 288 Cb -0.13 -1.34 -0.05 0.00 -1.06 0.00 0.00 42.46 39.88 1xxj s ILE 288 CO -0.05 0.26 -0.09 -1.59 -0.10 0.00 0.00 174.94 173.36 1xxj s LYS 289 N 1.58 1.45 -0.29 2.79 -2.85 -1.26 -1.16 119.74 120.00 1xxj s LYS 289 Ca 0.02 -1.70 -0.22 0.00 -1.00 0.00 0.00 55.97 53.07 1xxj s LYS 289 Cb -0.14 -1.13 0.18 0.00 -2.06 0.00 0.00 37.83 34.67 1xxj s LYS 289 CO -0.08 0.10 1.29 0.00 0.10 0.00 0.00 175.35 176.76 1xxj s THR 291 N 0.37 5.06 -0.30 0.00 2.01 -1.26 -2.36 115.64 119.16 1xxj s THR 291 Ca 0.02 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1xxj s THR 291 Cb -0.04 -3.27 0.08 0.00 0.01 0.00 0.00 72.50 69.27 1xxj s THR 291 CO -0.13 0.49 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.58 1xxj s VAL 292 N 0.09 2.34 0.11 3.82 1.01 0.11 -4.95 120.40 122.93 1xxj s VAL 292 Ca 0.07 -1.93 0.01 0.00 0.00 0.00 0.00 61.98 60.13 1xxj s VAL 292 Cb -0.12 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1xxj s VAL 292 CO 0.00 -0.30 0.15 0.61 0.00 0.00 0.00 175.10 175.56 1xxj n GLY 293 N 4.38 1.61 3.95 4.51 0.00 -1.26 -1.42 105.19 116.96 1xxj n GLY 293 Ca -0.06 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 1xxj n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxj s ARG 294 N -2.58 3.40 0.00 1.61 0.52 -1.25 -4.99 118.95 115.66 1xxj s ARG 294 Ca 0.11 -0.72 0.24 0.00 -0.52 0.00 0.00 55.73 54.84 1xxj s ARG 294 Cb -0.01 -2.89 1.43 0.00 0.52 0.00 0.00 34.95 33.99 1xxj s ARG 294 CO 0.07 0.46 1.79 0.43 0.02 0.00 0.00 175.30 178.08