#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 3.70 -0.06 0.00 1.01 -1.26 -4.83 120.40 118.95 1xxj s VAL 3 Ca 0.00 0.72 0.14 0.00 0.00 0.00 0.00 61.98 62.83 1xxj s VAL 3 Cb 0.00 -3.92 -0.19 0.00 0.00 0.00 0.00 36.38 32.27 1xxj s VAL 3 CO 0.00 -0.57 0.76 0.11 0.00 0.00 0.00 175.10 175.41 1xxj h LYS 4 N 11.67 0.00 -1.98 2.72 1.79 -2.06 -3.48 116.57 125.22 1xxj h LYS 4 Ca -0.31 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.11 1xxj h LYS 4 Cb 1.14 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.59 1xxj h LYS 4 CO 1.05 0.46 0.20 0.00 -1.08 0.00 0.00 179.45 180.08 1xxj s ALA 5 N -2.71 -1.78 -0.14 3.86 0.00 -1.26 -5.17 121.76 114.56 1xxj s ALA 5 Ca -0.04 1.39 -0.27 0.00 0.00 0.00 0.00 51.96 53.04 1xxj s ALA 5 Cb 0.08 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.15 1xxj s ALA 5 CO 0.82 -0.37 0.66 0.00 0.00 0.00 0.00 175.76 176.87 1xxj s ALA 6 N -1.06 -1.67 -0.27 0.00 0.00 -1.26 -5.15 121.76 112.34 1xxj s ALA 6 Ca -0.10 1.53 -0.23 0.00 0.00 0.00 0.00 51.96 53.16 1xxj s ALA 6 Cb -0.00 -0.49 0.08 0.00 0.00 0.00 0.00 23.12 22.71 1xxj s ALA 6 CO 0.09 -0.34 0.77 1.03 0.00 0.00 0.00 175.76 177.30 1xxj s ARG 7 N -0.51 0.75 0.24 0.00 0.52 -1.26 -4.66 118.95 114.03 1xxj s ARG 7 Ca -0.06 0.98 -0.07 0.00 -0.52 0.00 0.00 55.73 56.05 1xxj s ARG 7 Cb -0.02 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.75 1xxj s ARG 7 CO 0.06 -0.10 0.34 1.52 0.02 0.00 0.00 175.30 177.14 1xxj s TYR 8 N 0.63 0.75 -3.80 -0.53 1.13 -0.93 -4.88 117.35 109.72 1xxj s TYR 8 Ca -0.02 -1.04 0.00 0.00 -1.41 0.00 0.00 57.07 54.60 1xxj s TYR 8 Cb -0.05 -0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.68 1xxj s TYR 8 CO -0.04 -0.87 0.00 0.41 -2.51 0.00 0.00 175.55 172.53 1xxj n GLY 9 N -0.36 -0.56 3.11 5.49 0.00 -1.25 0.28 105.19 111.89 1xxj n GLY 9 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.59 1.71 0.14 1.61 2.47 -0.41 -4.81 119.74 118.87 1xxj s LYS 10 Ca 0.00 -0.57 0.08 0.00 -1.56 0.00 0.00 55.97 53.92 1xxj s LYS 10 Cb 0.00 -1.49 -0.04 0.00 -1.46 0.00 0.00 37.83 34.84 1xxj s LYS 10 CO 0.00 0.21 -0.07 0.34 0.16 0.00 0.00 175.35 175.99 1xxj s ASP 11 N 0.10 4.47 -1.10 1.43 -1.08 -1.26 -1.28 116.67 117.96 1xxj s ASP 11 Ca -0.05 -0.44 -0.07 0.00 -0.52 0.00 0.00 52.55 51.47 1xxj s ASP 11 Cb -0.12 -0.86 -0.05 0.00 -1.46 0.00 0.00 42.92 40.43 1xxj s ASP 11 CO 0.02 0.13 0.90 0.59 0.52 0.00 0.00 175.17 177.33 1xxj n ASN 12 N 0.29 -5.62 -4.41 -0.34 3.02 -1.10 -4.94 115.26 102.17 1xxj n ASN 12 Ca -0.12 -0.76 -0.44 0.00 -0.03 0.00 0.00 54.58 53.24 1xxj n ASN 12 Cb 0.54 -4.84 -0.07 0.00 -0.61 0.00 0.00 39.78 34.79 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 -3.41 5.16 0.09 2.41 1.01 -0.32 -4.84 120.40 120.49 1xxj s VAL 13 Ca 0.39 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1xxj s VAL 13 Cb -0.07 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1xxj s VAL 13 CO 0.76 -0.61 1.15 -0.13 0.00 0.00 0.00 175.10 176.27 1xxj s ARG 14 N 1.86 4.49 -0.02 2.72 0.52 -1.26 -0.42 118.95 126.85 1xxj s ARG 14 Ca 0.07 1.72 0.02 0.00 -0.52 0.00 0.00 55.73 57.02 1xxj s ARG 14 Cb -0.23 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 31.91 1xxj s ARG 14 CO 0.08 -0.14 -0.09 0.08 0.02 0.00 0.00 175.30 175.26 1xxj s VAL 15 N 0.66 0.73 -0.04 3.52 1.01 0.10 -4.97 120.40 121.41 1xxj s VAL 15 Ca 0.55 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1xxj s VAL 15 Cb -0.29 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1xxj s VAL 15 CO 0.31 0.23 -0.04 -0.47 0.00 0.00 0.00 175.10 175.12 1xxj s TYR 16 N 0.11 0.70 -0.03 5.22 6.14 -1.26 -1.60 117.35 126.63 1xxj s TYR 16 Ca -0.02 -0.18 0.02 0.00 0.64 0.00 0.00 57.07 57.53 1xxj s TYR 16 Cb -0.07 -0.62 0.01 0.00 0.42 0.00 0.00 41.96 41.70 1xxj s TYR 16 CO 0.00 -0.17 -0.06 0.21 0.64 0.00 0.00 175.55 176.18 1xxj s LYS 17 N 0.81 0.79 -0.09 4.97 2.20 -0.10 -5.00 119.74 123.32 1xxj s LYS 17 Ca -0.11 -0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1xxj s LYS 17 Cb -0.14 -0.77 -0.03 0.00 -1.51 0.00 0.00 37.83 35.39 1xxj s LYS 17 CO 0.00 0.01 -0.06 0.54 -0.36 0.00 0.00 175.35 175.48 1xxj s VAL 18 N 0.51 3.77 -0.19 4.02 0.11 -1.26 -1.58 120.40 125.78 1xxj s VAL 18 Ca -0.07 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 58.52 1xxj s VAL 18 Cb -0.11 -2.56 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 1xxj s VAL 18 CO 0.00 0.58 -0.12 -2.28 -3.33 0.00 0.00 175.10 169.95 1xxj s HIS 19 N -0.58 2.86 -0.15 1.54 2.46 -0.52 -4.97 115.29 115.93 1xxj s HIS 19 Ca 0.09 -1.24 -0.04 0.00 0.47 0.00 0.00 55.06 54.34 1xxj s HIS 19 Cb -0.12 -2.00 -0.03 0.00 -0.13 0.00 0.00 32.58 30.30 1xxj s HIS 19 CO 0.02 -0.64 -0.02 0.15 -2.47 0.00 0.00 174.74 171.78 1xxj s LYS 20 N 1.30 3.63 -0.20 2.88 1.02 -1.26 -1.20 119.74 125.91 1xxj s LYS 20 Ca 0.04 -0.49 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 1xxj s LYS 20 Cb -0.14 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 1xxj s LYS 20 CO -0.07 0.30 0.48 0.34 -0.92 0.00 0.00 175.35 175.48 1xxj s ASP 21 N 0.22 6.51 0.14 2.83 3.68 -1.07 -4.96 116.67 124.03 1xxj s ASP 21 Ca -0.01 0.61 -0.11 0.00 2.13 0.00 0.00 52.55 55.17 1xxj s ASP 21 Cb -0.14 -2.27 -0.04 0.00 -1.45 0.00 0.00 42.92 39.03 1xxj s ASP 21 CO 0.02 -0.15 1.49 -0.33 0.13 0.00 0.00 175.17 176.33 1xxj h GLU 22 N 7.46 0.92 0.00 4.34 4.39 -1.96 -1.58 114.58 128.15 1xxj h GLU 22 Ca -0.34 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 58.90 1xxj h GLU 22 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1xxj h GLU 22 CO 0.73 1.11 0.00 1.63 -1.16 0.00 0.00 179.01 181.32 1xxj n LYS 23 N -4.12 0.00 -0.27 2.33 4.76 -1.26 -4.23 118.16 115.37 1xxj n LYS 23 Ca -0.02 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.53 1xxj n LYS 23 Cb 0.50 -0.42 0.36 0.00 -1.84 0.00 0.00 35.03 33.64 1xxj n LYS 23 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1xxj h THR 24 N 0.00 0.86 0.00 -0.18 1.35 -2.01 -3.46 112.91 109.47 1xxj h THR 24 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1xxj h THR 24 Cb 0.00 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.48 1xxj h THR 24 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1xxj n GLY 25 N -1.42 0.75 3.65 5.82 0.00 -0.59 -5.02 105.19 108.38 1xxj n GLY 25 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1xxj n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxj s VAL 26 N -2.31 4.41 0.21 1.61 1.01 -1.26 -4.73 120.40 119.34 1xxj s VAL 26 Ca 0.00 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 1xxj s VAL 26 Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1xxj s VAL 26 CO 0.00 -0.28 0.41 -1.10 0.00 0.00 0.00 175.10 174.13 1xxj s GLN 27 N 3.58 3.54 -0.05 2.72 -0.21 -0.91 -2.58 119.66 125.74 1xxj s GLN 27 Ca 0.50 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.59 1xxj s GLN 27 Cb -0.17 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 31.04 1xxj s GLN 27 CO 0.14 0.38 -0.02 0.99 -2.12 0.00 0.00 175.29 174.66 1xxj s THR 28 N -1.88 0.41 0.13 -0.19 2.01 -0.34 -4.59 115.64 111.19 1xxj s THR 28 Ca 0.39 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.41 1xxj s THR 28 Cb -0.11 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1xxj s THR 28 CO 0.29 0.21 0.15 0.68 -0.69 0.00 0.00 174.62 175.26 1xxj s VAL 29 N 1.15 4.70 -0.02 3.82 -7.23 -1.26 -1.44 120.40 120.12 1xxj s VAL 29 Ca -0.08 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.20 1xxj s VAL 29 Cb -0.14 -3.36 0.02 0.00 0.56 0.00 0.00 36.38 33.46 1xxj s VAL 29 CO -0.01 -0.03 0.04 -0.31 -0.31 0.00 0.00 175.10 174.48 1xxj s TYR 30 N -1.64 -0.01 -0.06 2.82 2.02 -0.61 -4.91 117.35 114.96 1xxj s TYR 30 Ca 0.31 0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 57.12 1xxj s TYR 30 Cb -0.11 -0.12 0.04 0.00 -0.40 0.00 0.00 41.96 41.37 1xxj s TYR 30 CO 0.24 -0.06 0.13 -2.00 -1.57 0.00 0.00 175.55 172.29 1xxj s GLU 31 N 0.62 0.07 0.15 -0.62 2.12 -1.26 -0.92 118.70 118.85 1xxj s GLU 31 Ca -0.05 0.37 -0.08 0.00 0.36 0.00 0.00 54.97 55.58 1xxj s GLU 31 Cb -0.07 -0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.10 1xxj s GLU 31 CO -0.02 -0.19 0.23 0.00 -0.54 0.00 0.00 175.26 174.75 1xxj s MET 32 N 1.32 1.08 -0.11 4.30 0.23 -0.63 -0.08 119.30 125.41 1xxj s MET 32 Ca -0.07 -1.19 0.01 0.00 -1.03 0.00 0.00 55.69 53.40 1xxj s MET 32 Cb -0.12 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.51 1xxj s MET 32 CO -0.06 -0.37 -0.14 0.99 -2.03 0.00 0.00 175.02 173.41 1xxj s THR 33 N -3.97 2.99 0.02 3.16 2.01 -0.13 -0.73 115.64 119.00 1xxj s THR 33 Ca 0.17 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.54 1xxj s THR 33 Cb 0.04 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1xxj s THR 33 CO -0.01 0.54 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.55 1xxj s VAL 34 N 0.10 2.47 -0.08 3.82 1.01 0.44 -1.31 120.40 126.86 1xxj s VAL 34 Ca -0.06 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1xxj s VAL 34 Cb -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1xxj s VAL 34 CO 0.05 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.50 1xxj s VAL 36 N 1.32 1.71 -0.08 0.00 1.01 -0.40 -0.90 120.40 123.05 1xxj s VAL 36 Ca -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1xxj s VAL 36 Cb -0.14 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1xxj s VAL 36 CO -0.03 0.44 -0.09 -0.76 0.00 0.00 0.00 175.10 174.67 1xxj s LEU 37 N 1.43 3.03 0.02 3.92 1.43 -0.18 -1.28 118.68 127.04 1xxj s LEU 37 Ca 0.04 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1xxj s LEU 37 Cb -0.13 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1xxj s LEU 37 CO -0.11 0.31 -0.12 -0.76 0.23 0.00 0.00 176.35 175.90 1xxj s LEU 38 N -0.51 2.92 0.04 1.79 1.43 0.78 -0.39 118.68 124.74 1xxj s LEU 38 Ca 0.07 -0.27 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1xxj s LEU 38 Cb -0.12 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1xxj s LEU 38 CO 0.02 0.27 -0.26 -1.61 0.23 0.00 0.00 176.35 174.99 1xxj s GLU 39 N -1.44 1.79 0.00 1.70 2.02 -0.30 -2.18 118.70 120.28 1xxj s GLU 39 Ca 0.16 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.05 1xxj s GLU 39 Cb -0.11 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1xxj s GLU 39 CO 0.07 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.27 1xxj n GLY 40 N 1.78 -0.77 3.35 -1.39 0.00 -1.26 -1.80 105.19 105.11 1xxj n GLY 40 Ca -0.17 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 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 3.39 0.00 1.61 1.02 0.21 -4.59 120.64 122.28 1xxj n GLU 41 Ca 0.00 -3.72 0.00 0.00 -0.02 0.00 0.00 57.16 53.42 1xxj n GLU 41 Cb 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 31.44 28.36 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 4.54 0.45 -0.27 -3.67 -5.35 -1.26 -4.80 119.36 109.00 1xxj n ILE 42 Ca 0.39 -0.51 0.29 0.00 -0.27 0.00 0.00 62.75 62.65 1xxj n ILE 42 Cb 0.42 0.86 0.66 0.00 -1.74 0.00 0.00 39.64 39.84 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 0.13 0.00 6.28 3.07 -1.99 -1.33 114.58 120.74 1xxj h GLU 43 Ca 0.00 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1xxj h GLU 43 Cb 0.62 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1xxj h GLU 43 CO 0.00 0.08 -0.10 1.79 -1.40 0.00 0.00 179.01 179.39 1xxj h THR 44 N 0.13 0.39 0.00 1.13 1.35 -1.89 0.30 112.91 114.33 1xxj h THR 44 Ca 0.52 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1xxj h THR 44 Cb 1.80 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 1xxj h THR 44 CO -0.09 0.09 0.00 0.77 -0.25 0.00 0.00 175.52 176.04 1xxj h SER 45 N 0.00 0.00 0.00 5.36 4.64 -1.26 0.14 113.55 122.43 1xxj h SER 45 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1xxj h SER 45 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1xxj h SER 45 CO 0.01 0.00 -0.98 -1.22 -0.87 0.00 0.00 176.83 173.78 1xxj n TYR 46 N -2.49 0.75 -0.03 4.77 4.02 -0.24 -3.90 117.16 120.04 1xxj n TYR 46 Ca 0.04 0.33 -0.13 0.00 -0.01 0.00 0.00 57.90 58.12 1xxj n TYR 46 Cb 0.40 -0.85 -0.11 0.00 -0.02 0.00 0.00 39.34 38.76 1xxj n TYR 46 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1xxj h THR 47 N -1.00 1.51 -0.50 -0.72 1.35 -1.11 -3.36 112.91 109.09 1xxj h THR 47 Ca -0.16 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 1xxj h THR 47 Cb 0.90 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1xxj h THR 47 CO -0.10 0.40 0.00 0.29 -0.25 0.00 0.00 175.52 175.86 1xxj n LYS 48 N -4.77 3.16 -3.94 4.72 4.76 -0.12 -4.97 118.16 117.00 1xxj n LYS 48 Ca -0.09 -2.56 -0.25 0.00 -2.87 0.00 0.00 58.31 52.53 1xxj n LYS 48 Cb 0.33 -1.62 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 1xxj n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xxj n ALA 49 N 0.74 -1.97 -3.41 7.82 0.00 -0.69 -4.92 120.51 118.08 1xxj n ALA 49 Ca 0.20 -0.24 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 1xxj n ALA 49 Cb 0.69 -1.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.32 6.02 0.00 0.00 2.15 -0.31 -4.93 116.67 115.29 1xxj s ASP 50 Ca 0.04 -1.88 0.25 0.00 0.43 0.00 0.00 52.55 51.39 1xxj s ASP 50 Cb -0.02 -2.13 1.43 0.00 -0.30 0.00 0.00 42.92 41.90 1xxj s ASP 50 CO 0.88 -0.78 1.93 0.59 -0.17 0.00 0.00 175.17 177.62 1xxj n ASN 51 N 5.06 0.13 0.20 -0.34 3.02 -1.26 -3.45 115.26 118.63 1xxj n ASN 51 Ca -0.11 -1.26 0.13 0.00 -0.03 0.00 0.00 54.58 53.32 1xxj n ASN 51 Cb 0.40 -0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.93 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 0.19 0.00 0.25 6.41 4.64 -1.98 -2.87 113.55 120.20 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 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1xxj h SER 52 CO 0.00 0.00 -0.48 1.33 -0.87 0.00 0.00 176.83 176.81 1xxj n VAL 53 N -2.85 0.00 -3.23 0.95 0.24 -1.25 -4.90 118.33 107.30 1xxj n VAL 53 Ca 0.03 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.34 61.86 1xxj n VAL 53 Cb 0.43 0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 33.31 1xxj n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xxj s ILE 54 N -2.74 5.02 -0.53 1.34 1.01 -1.08 -4.90 121.20 119.32 1xxj s ILE 54 Ca 0.17 1.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.85 1xxj s ILE 54 Cb 0.18 -3.90 0.13 0.00 0.01 0.00 0.00 42.46 38.88 1xxj s ILE 54 CO 0.64 0.37 0.44 -0.69 0.00 0.00 0.00 174.94 175.71 1xxj s VAL 55 N 0.16 4.74 0.01 2.92 1.01 -1.26 -5.03 120.40 122.94 1xxj s VAL 55 Ca 0.30 -1.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.28 1xxj s VAL 55 Cb -0.17 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 32.00 1xxj s VAL 55 CO 0.15 -0.84 0.75 0.00 0.00 0.00 0.00 175.10 175.16 1xxj n ALA 56 N 4.98 -2.75 0.12 5.51 0.00 -1.26 -4.70 120.51 122.41 1xxj n ALA 56 Ca -0.09 0.43 0.17 0.00 0.00 0.00 0.00 53.44 53.95 1xxj n ALA 56 Cb 0.41 -1.26 0.73 0.00 0.00 0.00 0.00 19.45 19.33 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 2.08 0.66 -0.61 0.00 1.35 -1.96 0.46 112.91 114.89 1xxj h THR 57 Ca -0.36 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.53 1xxj h THR 57 Cb 1.03 0.81 -0.04 0.00 -1.73 0.00 0.00 68.15 68.22 1xxj h THR 57 CO 0.46 0.00 0.38 -0.78 -0.25 0.00 0.00 175.52 175.33 1xxj h ASP 58 N 0.00 0.63 0.46 5.36 3.58 -1.94 0.09 116.42 124.60 1xxj h ASP 58 Ca 0.15 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.51 1xxj h ASP 58 Cb 0.68 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1xxj h ASP 58 CO -0.00 0.44 -0.41 0.28 -2.88 0.00 0.00 179.24 176.67 1xxj h SER 59 N 0.75 0.00 -0.32 2.28 0.02 -0.42 -0.77 113.55 115.09 1xxj h SER 59 Ca 0.24 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1xxj h SER 59 Cb -0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1xxj h SER 59 CO -0.09 0.41 0.06 0.40 -1.14 0.00 0.00 176.83 176.48 1xxj h ILE 60 N 0.00 1.23 0.22 3.27 2.04 -0.52 0.23 117.51 123.98 1xxj h ILE 60 Ca -0.00 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1xxj h ILE 60 Cb 0.75 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1xxj h ILE 60 CO 0.05 0.26 -0.42 0.50 0.00 0.00 0.00 178.15 178.54 1xxj h LYS 61 N 0.36 -0.69 -0.46 2.37 3.64 -0.28 0.13 116.57 121.62 1xxj h LYS 61 Ca 0.10 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 1xxj h LYS 61 Cb 0.32 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.21 1xxj h LYS 61 CO 0.00 -0.46 -0.11 -0.91 -2.27 0.00 0.00 179.45 175.70 1xxj h ASN 62 N -0.72 -0.42 -0.97 4.20 2.35 -0.94 -0.57 115.58 118.52 1xxj h ASN 62 Ca 0.00 0.14 0.15 0.00 -0.55 0.00 0.00 56.30 56.03 1xxj h ASN 62 Cb 0.70 0.28 -0.09 0.00 0.05 0.00 0.00 38.32 39.27 1xxj h ASN 62 CO -0.18 -0.15 0.61 0.74 -1.65 0.00 0.00 177.43 176.80 1xxj h THR 63 N 0.01 0.84 -0.44 2.81 2.02 0.37 0.13 112.91 118.64 1xxj h THR 63 Ca 0.22 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1xxj h THR 63 Cb 0.34 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1xxj h THR 63 CO -0.47 0.15 0.12 0.40 0.37 0.00 0.00 175.52 176.09 1xxj h ILE 64 N 0.84 1.23 -0.16 3.11 2.04 0.56 0.04 117.51 125.16 1xxj h ILE 64 Ca 0.50 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1xxj h ILE 64 Cb 0.68 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1xxj h ILE 64 CO -0.27 0.28 0.06 1.88 0.00 0.00 0.00 178.15 180.10 1xxj h TYR 65 N 0.58 0.24 -0.09 1.37 0.05 -0.27 -1.59 116.97 117.25 1xxj h TYR 65 Ca 0.14 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1xxj h TYR 65 Cb 0.30 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 1xxj h TYR 65 CO 0.02 0.31 0.05 0.82 -1.05 0.00 0.00 178.16 178.31 1xxj h ILE 66 N 0.10 1.06 -0.76 -2.88 2.04 -0.73 -1.91 117.51 114.44 1xxj h ILE 66 Ca 0.05 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1xxj h ILE 66 Cb 0.17 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1xxj h ILE 66 CO -0.00 0.05 0.50 0.74 0.00 0.00 0.00 178.15 179.43 1xxj h THR 67 N 0.08 1.07 0.00 -0.27 2.02 -0.88 0.32 112.91 115.25 1xxj h THR 67 Ca 0.03 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 1xxj h THR 67 Cb 0.04 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1xxj h THR 67 CO -0.01 0.16 -0.43 0.00 0.37 0.00 0.00 175.52 175.62 1xxj h ALA 68 N 1.57 1.19 0.04 6.16 0.00 -1.00 -2.23 119.26 125.00 1xxj h ALA 68 Ca 0.31 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 1xxj h ALA 68 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xxj h ALA 68 CO -0.10 0.53 -1.03 -0.22 0.00 0.00 0.00 179.25 178.44 1xxj h LYS 69 N 0.00 0.20 -0.64 0.00 1.63 -0.21 -3.30 116.57 114.25 1xxj h LYS 69 Ca -0.00 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1xxj h LYS 69 Cb 0.81 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1xxj h LYS 69 CO 0.06 1.06 0.00 1.04 -3.45 0.00 0.00 179.45 178.16 1xxj n GLN 70 N -3.57 3.09 -3.86 1.90 6.02 -0.19 -4.97 117.38 115.81 1xxj n GLN 70 Ca -0.05 -2.67 -0.10 0.00 -0.01 0.00 0.00 57.00 54.18 1xxj n GLN 70 Cb 0.91 -1.64 -0.06 0.00 1.02 0.00 0.00 30.24 30.47 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 -1.00 -0.09 0.44 1.08 0.01 -0.85 -5.04 114.94 109.48 1xxj s ASN 71 Ca 0.46 -0.69 -0.23 0.00 -0.71 0.00 0.00 52.86 51.69 1xxj s ASN 71 Cb 0.26 0.50 -0.08 0.00 0.41 0.00 0.00 41.25 42.34 1xxj s ASN 71 CO 0.27 -0.96 1.10 -2.84 -1.51 0.00 0.00 177.10 173.17 1xxj s PRO 72 N -3.92 3.93 0.00 -0.60 0.02 -1.26 -4.71 135.00 128.45 1xxj s PRO 72 Ca 0.13 1.63 0.20 0.00 0.02 0.00 0.00 61.00 62.98 1xxj s PRO 72 Cb 0.01 -2.43 0.18 0.00 0.02 0.00 0.00 34.50 32.28 1xxj s PRO 72 CO -0.01 -0.37 1.16 1.33 -0.33 0.00 0.00 177.00 178.78 1xxj n VAL 73 N -0.36 0.05 -4.11 3.83 0.24 -1.26 -4.45 118.33 112.27 1xxj n VAL 73 Ca 0.07 -0.53 -0.14 0.00 -2.04 0.00 0.00 64.34 61.69 1xxj n VAL 73 Cb 0.49 1.37 -0.13 0.00 -1.47 0.00 0.00 33.84 34.11 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 -1.66 0.52 0.54 3.34 -1.32 -1.26 -3.70 115.64 112.11 1xxj s THR 74 Ca 0.25 -0.77 -0.17 0.00 -1.21 0.00 0.00 61.69 59.78 1xxj s THR 74 Cb 0.17 -0.54 -0.06 0.00 -1.51 0.00 0.00 72.50 70.57 1xxj s THR 74 CO 0.26 -0.19 1.03 -2.16 -2.21 0.00 0.00 174.62 171.35 1xxj s PRO 75 N -1.04 3.61 0.32 7.08 0.04 -1.26 -4.84 135.00 138.90 1xxj s PRO 75 Ca -0.05 1.19 0.09 0.00 0.04 0.00 0.00 61.00 62.27 1xxj s PRO 75 Cb -0.07 -2.07 0.93 0.00 0.04 0.00 0.00 34.50 33.33 1xxj s PRO 75 CO 0.00 -0.57 1.62 -1.00 0.04 0.00 0.00 177.00 177.09 1xxj h PRO 76 N 0.89 0.15 -0.88 0.56 0.13 -1.97 0.31 132.00 131.19 1xxj h PRO 76 Ca -0.48 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 64.84 1xxj h PRO 76 Cb 1.21 -0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1xxj h PRO 76 CO 0.59 0.10 0.41 0.93 -0.23 0.00 0.00 178.00 179.80 1xxj h GLU 77 N 0.15 0.47 0.41 0.86 3.07 -1.95 0.27 114.58 117.86 1xxj h GLU 77 Ca 0.66 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.47 1xxj h GLU 77 Cb 1.49 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1xxj h GLU 77 CO -0.72 0.31 -0.20 1.25 -1.40 0.00 0.00 179.01 178.25 1xxj h LEU 78 N 0.49 -0.47 -0.33 1.33 5.85 -0.75 -2.68 115.31 118.74 1xxj h LEU 78 Ca 0.52 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.23 1xxj h LEU 78 Cb 0.90 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.97 1xxj h LEU 78 CO -0.46 -0.03 -0.22 0.15 -0.34 0.00 0.00 178.44 177.53 1xxj h PHE 79 N -1.05 -0.57 -0.97 1.25 3.57 -1.08 0.64 116.94 118.73 1xxj h PHE 79 Ca -0.06 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.65 1xxj h PHE 79 Cb 0.52 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 39.48 1xxj h PHE 79 CO 0.02 -0.30 0.61 0.78 -2.23 0.00 0.00 178.31 177.19 1xxj h GLY 80 N -0.18 1.52 1.32 2.40 0.00 -0.56 0.16 103.07 107.73 1xxj h GLY 80 Ca 0.17 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 46.99 1xxj h GLY 80 CO -0.44 0.03 -0.49 1.76 0.00 0.00 0.00 176.54 177.40 1xxj h SER 81 N 0.77 0.79 -0.22 0.19 0.02 -0.58 -0.91 113.55 113.61 1xxj h SER 81 Ca 0.52 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1xxj h SER 81 Cb 0.80 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1xxj h SER 81 CO -0.29 1.14 -0.04 0.40 -1.14 0.00 0.00 176.83 176.90 1xxj h ILE 82 N 0.57 1.28 -0.49 3.27 2.04 -0.14 -1.90 117.51 122.14 1xxj h ILE 82 Ca 0.03 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.84 1xxj h ILE 82 Cb 1.05 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1xxj h ILE 82 CO 0.10 0.31 0.12 0.25 0.00 0.00 0.00 178.15 178.93 1xxj h LEU 83 N 0.15 0.74 -0.15 1.44 5.85 -0.63 -1.94 115.31 120.77 1xxj h LEU 83 Ca 0.06 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1xxj h LEU 83 Cb 0.48 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1xxj h LEU 83 CO 0.02 0.78 -0.11 1.23 -0.34 0.00 0.00 178.44 180.02 1xxj h GLY 84 N 0.67 0.37 0.28 3.75 0.00 -1.21 -3.27 103.07 103.66 1xxj h GLY 84 Ca 0.15 -0.35 0.09 0.00 0.00 0.00 0.00 47.33 47.22 1xxj h GLY 84 CO 0.00 0.32 0.04 -0.84 0.00 0.00 0.00 176.54 176.06 1xxj h THR 85 N -0.02 0.67 -0.80 4.70 2.02 -1.25 -2.14 112.91 116.10 1xxj h THR 85 Ca 0.03 -0.06 0.18 0.00 0.77 0.00 0.00 66.41 67.34 1xxj h THR 85 Cb 0.61 0.50 -0.15 0.00 -1.74 0.00 0.00 68.15 67.37 1xxj h THR 85 CO 0.03 0.03 -0.05 -0.74 0.37 0.00 0.00 175.52 175.16 1xxj h HIS 86 N 0.16 -0.16 -0.31 3.16 6.17 -1.40 -1.43 115.15 121.34 1xxj h HIS 86 Ca 0.24 0.06 -0.08 0.00 0.71 0.00 0.00 60.37 61.30 1xxj h HIS 86 Cb 0.34 0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.46 1xxj h HIS 86 CO -0.27 -0.30 -0.15 0.74 0.71 0.00 0.00 177.93 178.66 1xxj h PHE 87 N 0.06 0.61 0.00 5.26 0.04 -1.47 0.49 116.94 121.92 1xxj h PHE 87 Ca 0.43 -0.11 -0.14 0.00 2.80 0.00 0.00 57.97 60.96 1xxj h PHE 87 Cb 0.76 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1xxj h PHE 87 CO -0.50 0.68 -0.65 -0.84 -0.60 0.00 0.00 178.31 176.41 1xxj h ILE 88 N 0.51 1.33 0.03 -0.55 3.07 -1.23 -2.60 117.51 118.07 1xxj h ILE 88 Ca 0.09 -2.33 -0.16 0.00 1.55 0.00 0.00 64.86 64.01 1xxj h ILE 88 Cb 0.56 2.30 -0.01 0.00 -0.27 0.00 0.00 36.82 39.40 1xxj h ILE 88 CO 0.04 0.64 -0.84 -0.33 -1.05 0.00 0.00 178.15 176.61 1xxj h GLU 89 N 0.00 0.06 -0.92 0.16 5.08 -1.27 -3.36 114.58 114.33 1xxj h GLU 89 Ca -0.01 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1xxj h GLU 89 Cb 1.25 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 1xxj h GLU 89 CO 0.08 1.05 0.60 -0.22 -1.00 0.00 0.00 179.01 179.52 1xxj h LYS 90 N -0.84 1.06 -5.96 2.33 1.63 -0.11 -3.41 116.57 111.26 1xxj h LYS 90 Ca -0.21 -0.06 -0.68 0.00 -0.85 0.00 0.00 60.65 58.84 1xxj h LYS 90 Cb 1.30 -0.24 -0.27 0.00 -0.60 0.00 0.00 32.23 32.42 1xxj h LYS 90 CO -0.07 0.70 -0.81 0.71 -3.45 0.00 0.00 179.45 176.52 1xxj s TYR 91 N -5.94 2.63 -0.27 1.91 2.02 -0.98 -5.02 117.35 111.71 1xxj s TYR 91 Ca -0.12 -0.48 0.22 0.00 -0.37 0.00 0.00 57.07 56.32 1xxj s TYR 91 Cb 0.19 -1.67 0.07 0.00 -0.40 0.00 0.00 41.96 40.15 1xxj s TYR 91 CO 0.80 -0.06 1.18 -0.91 -1.57 0.00 0.00 175.55 174.99 1xxj h ASN 92 N 5.95 0.00 -0.35 2.29 2.35 -1.81 -3.26 115.58 120.75 1xxj h ASN 92 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1xxj h ASN 92 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1xxj h ASN 92 CO 0.51 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 176.35 1xxj n HIS 93 N -2.82 0.46 -4.03 1.19 1.44 -1.26 -4.78 115.22 105.42 1xxj n HIS 93 Ca 0.00 -0.23 -0.34 0.00 -2.01 0.00 0.00 57.72 55.14 1xxj n HIS 93 Cb 0.58 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.54 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 -1.54 2.59 -0.34 0.61 1.09 -1.23 0.66 121.20 123.04 1xxj s ILE 94 Ca 0.35 -0.77 0.05 0.00 -1.10 0.00 0.00 60.65 59.17 1xxj s ILE 94 Cb 0.19 -2.14 -0.02 0.00 -1.06 0.00 0.00 42.46 39.43 1xxj s ILE 94 CO 0.27 0.48 0.33 1.41 -0.10 0.00 0.00 174.94 177.33 1xxj n HIS 95 N 4.69 0.00 -3.91 3.97 8.25 -0.74 -4.53 115.22 122.94 1xxj n HIS 95 Ca -0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.16 1xxj n HIS 95 Cb 0.50 0.00 -0.12 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 -1.13 -0.08 -0.06 -1.41 0.00 -0.93 -0.45 121.76 117.69 1xxj s ALA 96 Ca 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1xxj s ALA 96 Cb 0.04 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1xxj s ALA 96 CO 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 175.76 175.79 1xxj s ALA 97 N -0.90 0.62 -0.22 0.00 0.00 -0.11 -1.15 121.76 120.01 1xxj s ALA 97 Ca -0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 1xxj s ALA 97 Cb -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1xxj s ALA 97 CO -0.00 -0.38 0.00 -1.01 0.00 0.00 0.00 175.76 174.38 1xxj s HIS 98 N 1.78 3.02 -0.11 0.00 3.76 0.48 -1.12 115.29 123.10 1xxj s HIS 98 Ca 0.02 -0.61 0.04 0.00 -0.15 0.00 0.00 55.06 54.35 1xxj s HIS 98 Cb -0.13 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.43 1xxj s HIS 98 CO -0.04 -0.38 -0.23 0.08 -0.85 0.00 0.00 174.74 173.32 1xxj s VAL 99 N 1.33 2.11 -0.12 -0.90 1.01 0.12 -1.01 120.40 122.94 1xxj s VAL 99 Ca 0.04 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1xxj s VAL 99 Cb -0.15 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1xxj s VAL 99 CO 0.01 0.56 -0.10 0.21 0.00 0.00 0.00 175.10 175.78 1xxj s ASN 100 N 0.42 2.29 -0.10 3.32 2.47 -0.08 -0.32 114.94 122.95 1xxj s ASN 100 Ca -0.17 -0.35 0.03 0.00 0.42 0.00 0.00 52.86 52.80 1xxj s ASN 100 Cb -0.18 -0.93 0.00 0.00 -1.45 0.00 0.00 41.25 38.70 1xxj s ASN 100 CO 0.07 -0.09 -0.22 -0.63 -3.72 0.00 0.00 177.10 172.51 1xxj s ILE 101 N 1.58 1.92 -0.22 -5.21 1.01 -0.71 -1.03 121.20 118.54 1xxj s ILE 101 Ca 0.04 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1xxj s ILE 101 Cb -0.13 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.67 1xxj s ILE 101 CO -0.08 0.53 -0.07 -0.69 0.00 0.00 0.00 174.94 174.62 1xxj s VAL 102 N 0.47 3.06 -0.15 2.92 1.01 -0.43 -1.90 120.40 125.39 1xxj s VAL 102 Ca -0.16 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 1xxj s VAL 102 Cb -0.17 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1xxj s VAL 102 CO 0.06 0.41 0.33 0.00 0.00 0.00 0.00 175.10 175.90 1xxj s HIS 104 N 0.46 3.34 -0.04 0.00 3.76 0.88 -2.71 115.29 120.99 1xxj s HIS 104 Ca 0.18 0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 55.10 1xxj s HIS 104 Cb -0.13 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 1xxj s HIS 104 CO 0.05 0.53 1.15 1.03 -0.85 0.00 0.00 174.74 176.65 1xxj s ARG 105 N -0.77 4.39 -0.44 1.40 0.52 -1.26 -4.43 118.95 118.36 1xxj s ARG 105 Ca 0.12 1.62 0.05 0.00 -0.52 0.00 0.00 55.73 57.01 1xxj s ARG 105 Cb -0.12 -3.51 0.18 0.00 0.52 0.00 0.00 34.95 32.02 1xxj s ARG 105 CO 0.03 -0.36 0.39 0.91 0.02 0.00 0.00 175.30 176.28 1xxj n TRP 106 N 4.85 -0.32 -2.90 -0.53 5.03 -1.26 -4.17 117.44 118.14 1xxj n TRP 106 Ca 0.10 -3.46 -0.38 0.00 3.03 0.00 0.00 57.50 56.79 1xxj n TRP 106 Cb 0.47 0.07 -0.06 0.00 -1.03 0.00 0.00 31.31 30.76 1xxj n TRP 106 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 1xxj s THR 107 N -0.32 4.31 0.08 -0.99 2.01 0.30 -4.73 115.64 116.30 1xxj s THR 107 Ca 0.33 1.71 -0.31 0.00 0.31 0.00 0.00 61.69 63.73 1xxj s THR 107 Cb 0.05 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 1xxj s THR 107 CO -0.18 0.30 1.34 -0.60 -0.69 0.00 0.00 174.62 174.78 1xxj s ARG 108 N -1.69 4.35 0.60 4.92 3.52 -1.26 0.11 118.95 129.50 1xxj s ARG 108 Ca 0.44 1.97 -0.19 0.00 -0.13 0.00 0.00 55.73 57.82 1xxj s ARG 108 Cb -0.20 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1xxj s ARG 108 CO 0.25 -0.40 1.27 -1.64 -0.81 0.00 0.00 175.30 173.97 1xxj s MET 109 N 1.25 2.84 -0.78 5.12 -1.94 0.36 -4.84 119.30 121.31 1xxj s MET 109 Ca 0.63 2.00 -0.02 0.00 -1.71 0.00 0.00 55.69 56.59 1xxj s MET 109 Cb -0.34 -1.96 0.19 0.00 2.01 0.00 0.00 34.83 34.73 1xxj s MET 109 CO 0.29 -1.35 0.63 -0.51 -0.01 0.00 0.00 175.02 174.07 1xxj s ASP 110 N -1.39 5.63 -0.07 3.03 1.01 -1.26 -1.80 116.67 121.82 1xxj s ASP 110 Ca 0.78 -3.39 -0.26 0.00 0.71 0.00 0.00 52.55 50.39 1xxj s ASP 110 Cb -0.35 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1xxj s ASP 110 CO 0.38 -0.25 0.83 -0.63 0.21 0.00 0.00 175.17 175.71 1xxj s ILE 111 N -0.85 4.95 -0.88 0.77 -1.09 -0.93 -3.86 121.20 119.30 1xxj s ILE 111 Ca 0.23 1.70 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 1xxj s ILE 111 Cb -0.12 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1xxj s ILE 111 CO -0.09 0.16 0.00 0.47 -1.23 0.00 0.00 174.94 174.25 1xxj n ASP 112 N 4.19 -4.20 0.00 3.58 8.00 -1.26 0.49 116.55 127.36 1xxj n ASP 112 Ca 0.03 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1xxj n ASP 112 Cb 0.51 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 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 0.18 0.86 3.04 0.44 0.00 -1.25 -5.07 105.19 103.39 1xxj n GLY 113 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1xxj n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxj s LYS 114 N -0.75 2.10 -0.38 1.61 1.02 0.18 -5.08 119.74 118.44 1xxj s LYS 114 Ca 0.00 -0.52 -0.31 0.00 0.02 0.00 0.00 55.97 55.16 1xxj s LYS 114 Cb 0.00 -1.79 -0.10 0.00 -0.52 0.00 0.00 37.83 35.42 1xxj s LYS 114 CO 0.00 -0.06 2.28 -2.30 -0.92 0.00 0.00 175.35 174.35 1xxj n PRO 115 N 4.18 1.24 -1.86 -1.68 -0.02 -1.26 -2.18 135.00 133.41 1xxj n PRO 115 Ca -0.19 0.28 -0.37 0.00 -2.02 0.00 0.00 63.50 61.20 1xxj n PRO 115 Cb 0.51 -2.79 0.05 0.00 -0.02 0.00 0.00 33.50 31.25 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 8.59 2.26 -0.01 6.00 2.46 -0.75 -4.96 115.29 128.89 1xxj s HIS 116 Ca 1.07 1.47 -0.24 0.00 0.47 0.00 0.00 55.06 57.83 1xxj s HIS 116 Cb -0.62 -3.64 -0.15 0.00 -0.13 0.00 0.00 32.58 28.03 1xxj s HIS 116 CO 0.41 -2.63 1.10 -1.00 -2.47 0.00 0.00 174.74 170.15 1xxj h PRO 117 N 0.95 -0.43 -0.29 2.88 0.13 -1.91 -3.39 132.00 129.94 1xxj h PRO 117 Ca -0.51 0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 64.45 1xxj h PRO 117 Cb 1.31 0.10 -0.16 0.00 0.13 0.00 0.00 31.00 32.38 1xxj h PRO 117 CO 0.55 -0.11 -0.58 -2.39 -0.23 0.00 0.00 178.00 175.24 1xxj n HIS 118 N -5.12 1.03 -4.15 1.56 1.44 -1.26 -2.15 115.22 106.58 1xxj n HIS 118 Ca -0.09 -1.77 -0.24 0.00 -2.01 0.00 0.00 57.72 53.61 1xxj n HIS 118 Cb 0.27 -0.30 -0.17 0.00 0.12 0.00 0.00 29.99 29.91 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 -3.32 1.64 0.23 4.39 0.01 -1.26 -5.05 113.70 110.33 1xxj s SER 119 Ca 0.43 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.53 1xxj s SER 119 Cb 0.39 -0.67 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1xxj s SER 119 CO -0.03 -0.07 -0.08 -0.36 0.41 0.00 0.00 173.24 173.11 1xxj s PHE 120 N 1.24 1.71 0.03 2.43 0.40 -1.26 -0.49 117.98 122.03 1xxj s PHE 120 Ca -0.05 -0.71 0.04 0.00 -0.60 0.00 0.00 56.93 55.62 1xxj s PHE 120 Cb -0.14 -0.91 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 1xxj s PHE 120 CO -0.02 0.22 -0.13 -1.50 0.70 0.00 0.00 175.22 174.48 1xxj s ILE 121 N -3.12 1.05 -1.12 0.64 2.07 0.30 -4.82 121.20 116.19 1xxj s ILE 121 Ca 0.25 -0.88 -0.18 0.00 -1.41 0.00 0.00 60.65 58.43 1xxj s ILE 121 Cb 0.02 -0.94 0.10 0.00 0.13 0.00 0.00 42.46 41.78 1xxj s ILE 121 CO 0.08 0.06 1.45 -0.60 -1.91 0.00 0.00 174.94 174.02 1xxj s ARG 122 N -0.93 3.83 0.00 3.50 6.06 -1.26 -0.54 118.95 129.61 1xxj s ARG 122 Ca 0.02 -1.87 0.00 0.00 -2.50 0.00 0.00 55.73 51.38 1xxj s ARG 122 Cb -0.07 -5.24 0.00 0.00 0.06 0.00 0.00 34.95 29.70 1xxj s ARG 122 CO 0.01 -2.01 0.77 -0.40 -2.50 0.00 0.00 175.30 171.16 1xxj n ASP 123 N 7.42 0.29 0.00 -2.12 5.75 -1.26 -4.83 116.55 121.79 1xxj n ASP 123 Ca 0.36 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 1xxj n ASP 123 Cb 0.47 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.33 0.00 -0.06 -1.12 2.88 -1.26 -4.98 113.62 108.76 1xxj n SER 124 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1xxj n SER 124 Cb 0.07 0.00 0.88 0.00 -0.75 0.00 0.00 64.21 64.42 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 -0.46 1.08 -1.32 -1.46 4.07 -1.26 -4.55 120.64 116.74 1xxj n GLU 125 Ca 0.00 -0.12 -0.36 0.00 -0.06 0.00 0.00 57.16 56.62 1xxj n GLU 125 Cb 0.00 -1.49 0.08 0.00 -0.06 0.00 0.00 31.44 29.97 1xxj n GLU 125 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1xxj n GLU 126 N -0.85 0.42 -4.06 5.31 2.13 -1.25 -4.78 120.64 117.56 1xxj n GLU 126 Ca 0.23 0.19 -0.11 0.00 0.66 0.00 0.00 57.16 58.13 1xxj n GLU 126 Cb 0.14 -2.04 -0.11 0.00 0.27 0.00 0.00 31.44 29.70 1xxj n GLU 126 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xxj s LYS 127 N -3.06 0.54 -0.13 5.31 -0.14 -0.17 -4.40 119.74 117.69 1xxj s LYS 127 Ca 0.70 -0.87 -0.00 0.00 -1.36 0.00 0.00 55.97 54.43 1xxj s LYS 127 Cb -0.35 -0.13 -0.01 0.00 -1.68 0.00 0.00 37.83 35.66 1xxj s LYS 127 CO 0.54 -0.00 -0.13 0.50 -0.76 0.00 0.00 175.35 175.49 1xxj s ARG 128 N -2.19 3.37 0.14 1.68 3.52 -1.10 -2.36 118.95 122.01 1xxj s ARG 128 Ca -0.06 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 1xxj s ARG 128 Cb -0.05 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 1xxj s ARG 128 CO -0.02 0.19 -0.10 -0.80 -0.81 0.00 0.00 175.30 173.76 1xxj s ASN 129 N 0.41 1.77 -0.05 -2.12 -0.87 -0.09 0.96 114.94 114.95 1xxj s ASN 129 Ca -0.10 -0.99 -0.07 0.00 -1.57 0.00 0.00 52.86 50.12 1xxj s ASN 129 Cb -0.16 -0.01 0.01 0.00 -0.02 0.00 0.00 41.25 41.08 1xxj s ASN 129 CO 0.05 -0.32 0.19 0.68 -2.57 0.00 0.00 177.10 175.13 1xxj s VAL 130 N -3.23 0.03 -0.27 1.60 -7.23 -0.80 -0.39 120.40 110.11 1xxj s VAL 130 Ca 0.16 -0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.14 1xxj s VAL 130 Cb 0.02 -0.34 0.07 0.00 0.56 0.00 0.00 36.38 36.69 1xxj s VAL 130 CO 0.01 -0.11 -0.06 -1.58 -0.31 0.00 0.00 175.10 173.04 1xxj s GLN 131 N -0.37 1.90 -0.26 4.82 0.74 0.47 -1.75 119.66 125.22 1xxj s GLN 131 Ca -0.05 -1.33 -0.08 0.00 0.05 0.00 0.00 55.36 53.95 1xxj s GLN 131 Cb -0.03 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.22 1xxj s GLN 131 CO 0.01 -0.65 0.08 0.08 -0.55 0.00 0.00 175.29 174.26 1xxj s VAL 132 N 1.16 4.40 -0.19 1.34 1.01 0.57 -1.16 120.40 127.54 1xxj s VAL 132 Ca -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1xxj s VAL 132 Cb -0.19 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1xxj s VAL 132 CO -0.06 0.31 -0.05 -1.81 0.00 0.00 0.00 175.10 173.49 1xxj s ASP 133 N 1.62 4.45 -0.23 3.32 1.01 0.12 0.13 116.67 127.09 1xxj s ASP 133 Ca 0.06 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.05 1xxj s ASP 133 Cb -0.15 -1.74 0.05 0.00 1.01 0.00 0.00 42.92 42.09 1xxj s ASP 133 CO 0.04 0.07 -0.12 -0.69 0.21 0.00 0.00 175.17 174.68 1xxj s VAL 134 N 0.94 2.01 -0.13 -1.27 1.01 -0.27 0.23 120.40 122.92 1xxj s VAL 134 Ca -0.00 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 60.62 1xxj s VAL 134 Cb -0.15 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1xxj s VAL 134 CO 0.01 0.10 -0.17 -0.69 0.00 0.00 0.00 175.10 174.35 1xxj s VAL 135 N 1.21 2.59 -0.18 2.92 1.01 -0.89 -0.93 120.40 126.13 1xxj s VAL 135 Ca -0.05 -0.82 -0.32 0.00 0.00 0.00 0.00 61.98 60.79 1xxj s VAL 135 Cb -0.18 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 1xxj s VAL 135 CO -0.07 0.53 2.08 1.21 0.00 0.00 0.00 175.10 178.85 1xxj n GLU 136 N 3.69 1.92 -0.24 2.72 2.13 0.41 -0.94 120.64 130.32 1xxj n GLU 136 Ca -0.19 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1xxj n GLU 136 Cb 0.52 -2.84 0.00 0.00 0.27 0.00 0.00 31.44 29.39 1xxj n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxj n GLY 137 N 5.39 1.19 0.06 8.31 0.00 -1.26 -4.86 105.19 114.02 1xxj n GLY 137 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.00 1.83 0.00 1.61 5.02 -0.12 -5.12 118.16 119.39 1xxj n LYS 138 Ca 0.00 -1.95 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 1xxj n LYS 138 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1xxj n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxj n GLY 139 N -0.91 -0.05 2.97 0.72 0.00 -1.06 -4.77 105.19 102.10 1xxj n GLY 139 Ca 0.08 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 1.43 -0.29 -0.61 1.01 0.22 -2.10 121.20 120.87 1xxj s ILE 140 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 1xxj s ILE 140 Cb 0.00 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1xxj s ILE 140 CO 0.00 0.32 0.22 -1.81 0.00 0.00 0.00 174.94 173.67 1xxj s ASP 141 N 1.52 6.06 -0.12 3.58 1.01 0.14 -1.79 116.67 127.07 1xxj s ASP 141 Ca 0.03 -0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.28 1xxj s ASP 141 Cb -0.14 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.66 1xxj s ASP 141 CO -0.09 -0.10 -0.21 -0.63 0.21 0.00 0.00 175.17 174.35 1xxj s ILE 142 N 1.80 2.24 -0.08 0.77 1.01 -1.26 0.13 121.20 125.80 1xxj s ILE 142 Ca 0.08 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1xxj s ILE 142 Cb -0.16 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1xxj s ILE 142 CO 0.11 0.55 -0.19 -0.54 0.00 0.00 0.00 174.94 174.87 1xxj s LYS 143 N 0.49 2.85 0.07 2.79 1.02 -0.31 -1.62 119.74 125.03 1xxj s LYS 143 Ca -0.14 -0.79 0.09 0.00 0.02 0.00 0.00 55.97 55.15 1xxj s LYS 143 Cb -0.17 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 1xxj s LYS 143 CO 0.05 0.36 -0.25 -1.12 -0.92 0.00 0.00 175.35 173.47 1xxj s SER 144 N -0.08 3.33 0.16 2.83 0.01 -0.23 -0.40 113.70 119.33 1xxj s SER 144 Ca -0.04 -0.61 -0.16 0.00 1.31 0.00 0.00 55.95 56.45 1xxj s SER 144 Cb -0.14 -0.33 0.03 0.00 0.21 0.00 0.00 66.02 65.79 1xxj s SER 144 CO 0.04 0.24 0.44 -0.94 0.41 0.00 0.00 173.24 173.43 1xxj s SER 145 N -1.51 -0.22 0.01 2.44 1.04 0.48 -0.40 113.70 115.54 1xxj s SER 145 Ca 0.13 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.16 1xxj s SER 145 Cb -0.10 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1xxj s SER 145 CO 0.04 -0.94 -0.14 -1.48 0.98 0.00 0.00 173.24 171.69 1xxj s LEU 146 N -2.85 2.08 0.19 2.42 0.05 -0.10 -0.91 118.68 119.56 1xxj s LEU 146 Ca 0.07 -0.34 -0.14 0.00 0.05 0.00 0.00 54.13 53.77 1xxj s LEU 146 Cb 0.01 -0.70 0.01 0.00 -2.05 0.00 0.00 46.19 43.46 1xxj s LEU 146 CO -0.07 0.13 0.43 -0.94 -0.55 0.00 0.00 176.35 175.35 1xxj s SER 147 N -0.65 -0.14 0.00 1.48 1.04 -0.99 -1.21 113.70 113.23 1xxj s SER 147 Ca 0.04 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1xxj s SER 147 Cb -0.06 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1xxj s SER 147 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1xxj n GLY 148 N -0.29 0.52 3.46 7.32 0.00 -1.22 -1.00 105.19 113.97 1xxj n GLY 148 Ca -0.09 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 4.60 -0.25 0.99 2.96 -1.24 -3.78 118.68 121.96 1xxj s LEU 149 Ca 0.00 -0.85 -0.12 0.00 -0.22 0.00 0.00 54.13 52.94 1xxj s LEU 149 Cb 0.00 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 1xxj s LEU 149 CO 0.00 -1.19 0.22 -0.89 -1.32 0.00 0.00 176.35 173.17 1xxj s THR 150 N 3.46 5.31 0.34 3.68 2.01 -1.26 0.17 115.64 129.34 1xxj s THR 150 Ca 0.21 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.54 1xxj s THR 150 Cb -0.17 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 1xxj s THR 150 CO 0.13 0.28 0.03 0.68 -0.69 0.00 0.00 174.62 175.05 1xxj s VAL 151 N 1.42 1.49 -0.28 3.82 -7.23 -0.21 -4.98 120.40 114.43 1xxj s VAL 151 Ca 0.09 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 58.03 1xxj s VAL 151 Cb -0.15 -2.79 0.09 0.00 0.56 0.00 0.00 36.38 34.09 1xxj s VAL 151 CO 0.07 -0.05 0.80 -0.22 -0.31 0.00 0.00 175.10 175.39 1xxj s LEU 152 N -3.54 -0.72 -0.07 1.32 0.20 -1.26 -1.98 118.68 112.63 1xxj s LEU 152 Ca 0.35 1.29 0.02 0.00 0.69 0.00 0.00 54.13 56.48 1xxj s LEU 152 Cb 0.08 2.26 0.02 0.00 -0.43 0.00 0.00 46.19 48.12 1xxj s LEU 152 CO 0.16 -0.22 -0.11 -1.59 -0.29 0.00 0.00 176.35 174.30 1xxj s LYS 153 N 0.80 1.66 0.00 1.98 -2.85 -0.61 -4.99 119.74 115.73 1xxj s LYS 153 Ca -0.03 -0.38 0.20 0.00 -1.00 0.00 0.00 55.97 54.76 1xxj s LYS 153 Cb -0.05 -1.42 0.98 0.00 -2.06 0.00 0.00 37.83 35.28 1xxj s LYS 153 CO -0.08 -0.02 1.65 -1.13 0.10 0.00 0.00 175.35 175.87 1xxj n SER 154 N 3.99 0.00 -0.66 0.03 3.41 -1.26 -1.50 113.62 117.63 1xxj n SER 154 Ca -0.22 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1xxj n SER 154 Cb 0.51 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1xxj n SER 154 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1xxj n THR 155 N -1.34 0.00 -2.43 6.66 5.66 -1.26 -4.55 114.28 117.02 1xxj n THR 155 Ca 0.08 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.92 1xxj n THR 155 Cb 0.18 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 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 -0.33 -4.82 -3.78 1.09 4.13 -1.26 -4.84 115.26 105.45 1xxj n ASN 156 Ca 0.00 -0.07 -0.16 0.00 1.68 0.00 0.00 54.58 56.04 1xxj n ASN 156 Cb 0.00 -3.87 -0.16 0.00 -1.54 0.00 0.00 39.78 34.21 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 -2.41 0.21 0.18 6.41 0.15 -1.25 -2.23 113.70 114.76 1xxj s SER 157 Ca 0.06 0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.76 1xxj s SER 157 Cb -0.03 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.12 1xxj s SER 157 CO 0.07 -0.13 -0.02 -1.10 1.20 0.00 0.00 173.24 173.26 1xxj s GLN 158 N 1.10 1.16 -0.34 5.44 -0.21 0.72 -0.36 119.66 127.18 1xxj s GLN 158 Ca -0.09 -1.55 0.05 0.00 0.02 0.00 0.00 55.36 53.78 1xxj s GLN 158 Cb -0.13 -0.44 0.17 0.00 1.00 0.00 0.00 33.01 33.61 1xxj s GLN 158 CO -0.03 -0.08 0.49 0.12 -2.12 0.00 0.00 175.29 173.68 1xxj s PHE 159 N -3.52 -1.20 0.10 0.91 5.36 -1.08 -3.66 117.98 114.88 1xxj s PHE 159 Ca 0.23 0.19 -0.05 0.00 -0.96 0.00 0.00 56.93 56.35 1xxj s PHE 159 Cb 0.05 -0.00 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 1xxj s PHE 159 CO 0.04 -1.05 0.12 1.67 -1.46 0.00 0.00 175.22 174.54 1xxj s TRP 160 N 2.17 0.42 0.00 10.12 1.48 -1.24 -1.87 118.94 130.02 1xxj s TRP 160 Ca 0.13 -0.87 0.00 0.00 -1.06 0.00 0.00 56.10 54.30 1xxj s TRP 160 Cb -0.10 -0.23 0.00 0.00 -1.16 0.00 0.00 33.47 31.98 1xxj s TRP 160 CO -0.18 -0.52 0.00 0.41 -4.06 0.00 0.00 176.95 172.60 1xxj n GLY 161 N -0.04 0.75 3.82 3.67 0.00 -1.26 -5.02 105.19 107.11 1xxj n GLY 161 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.48 3.32 0.07 1.61 -0.71 -1.26 -4.98 117.98 113.55 1xxj s PHE 162 Ca 0.00 1.56 -0.35 0.00 -1.04 0.00 0.00 56.93 57.10 1xxj s PHE 162 Cb 0.00 -2.86 -0.14 0.00 -1.21 0.00 0.00 43.02 38.81 1xxj s PHE 162 CO 0.00 -0.28 1.57 -0.11 -1.34 0.00 0.00 175.22 175.06 1xxj n LEU 163 N -1.00 2.68 -4.56 -1.99 0.00 -1.26 -5.00 117.00 105.87 1xxj n LEU 163 Ca 0.07 1.08 -0.32 0.00 0.00 0.00 0.00 56.01 56.84 1xxj n LEU 163 Cb 0.54 -1.33 -0.11 0.00 0.00 0.00 0.00 43.42 42.52 1xxj n LEU 163 CO 0.40 -0.48 -0.41 -0.13 0.00 0.00 0.00 177.39 176.78 1xxj s ARG 164 N 1.46 2.50 0.00 1.96 0.52 -1.26 -4.95 118.95 119.17 1xxj s ARG 164 Ca 0.84 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1xxj s ARG 164 Cb -0.79 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 32.23 1xxj s ARG 164 CO 0.45 0.60 0.00 -0.40 0.02 0.00 0.00 175.30 175.97 1xxj n ASP 165 N 1.68 0.00 0.00 0.23 5.75 -1.26 -5.00 116.55 117.95 1xxj n ASP 165 Ca -0.16 -0.48 0.09 0.00 -0.01 0.00 0.00 54.79 54.23 1xxj n ASP 165 Cb 0.52 0.00 0.55 0.00 -1.03 0.00 0.00 41.12 41.16 1xxj n ASP 165 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1xxj n GLU 166 N 0.00 0.52 0.00 0.11 0.00 -1.26 -2.30 120.64 117.72 1xxj n GLU 166 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 57.16 57.26 1xxj n GLU 166 Cb 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 29.98 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 -1.06 0.00 -3.52 -1.84 4.01 -1.26 -5.00 117.16 108.48 1xxj n TYR 167 Ca 0.13 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.53 1xxj n TYR 167 Cb 0.08 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.41 5.03 0.00 -0.72 2.01 -0.97 -4.92 115.64 114.66 1xxj s THR 168 Ca 0.15 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1xxj s THR 168 Cb 0.12 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1xxj s THR 168 CO 0.25 0.19 0.07 0.35 -0.69 0.00 0.00 174.62 174.79 1xxj n THR 169 N 0.62 0.00 -2.60 -0.82 -2.24 -1.26 -4.86 114.28 103.13 1xxj n THR 169 Ca -0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1xxj n THR 169 Cb 0.52 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 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 3.46 0.11 3.22 2.96 -1.26 -5.01 118.68 122.16 1xxj s LEU 170 Ca 0.00 -0.06 -0.31 0.00 -0.22 0.00 0.00 54.13 53.54 1xxj s LEU 170 Cb 0.00 -3.01 -0.10 0.00 0.50 0.00 0.00 46.19 43.58 1xxj s LEU 170 CO 0.00 -1.53 1.75 -0.54 -1.32 0.00 0.00 176.35 174.71 1xxj s LYS 171 N 5.01 4.16 0.94 1.98 1.02 -1.26 -4.96 119.74 126.64 1xxj s LYS 171 Ca 0.40 2.49 -0.11 0.00 0.02 0.00 0.00 55.97 58.77 1xxj s LYS 171 Cb -0.08 -3.55 0.09 0.00 -0.52 0.00 0.00 37.83 33.78 1xxj s LYS 171 CO 0.23 -0.79 0.77 0.39 -0.92 0.00 0.00 175.35 175.03 1xxj n GLU 172 N 5.47 -0.40 -3.88 1.68 1.02 -1.26 -5.03 120.64 118.24 1xxj n GLU 172 Ca 0.17 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.15 1xxj n GLU 172 Cb 0.39 -2.11 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 1xxj n GLU 172 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1xxj s THR 173 N -2.52 0.14 0.00 2.62 -1.32 -0.78 -4.99 115.64 108.79 1xxj s THR 173 Ca 0.62 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 1xxj s THR 173 Cb -0.22 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 1xxj s THR 173 CO 0.63 -0.64 0.02 0.79 -2.21 0.00 0.00 174.62 173.20 1xxj n TRP 174 N 0.20 0.00 -3.70 9.09 8.01 -1.26 -2.65 117.44 127.13 1xxj n TRP 174 Ca -0.16 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 55.90 1xxj n TRP 174 Cb 0.61 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.78 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 -0.88 -0.04 0.10 -0.99 2.15 -1.25 -4.47 116.67 111.29 1xxj s ASP 175 Ca 0.00 0.58 -0.21 0.00 0.43 0.00 0.00 52.55 53.35 1xxj s ASP 175 Cb 0.00 0.55 0.05 0.00 -0.30 0.00 0.00 42.92 43.22 1xxj s ASP 175 CO 0.00 -0.20 0.51 0.00 -0.17 0.00 0.00 175.17 175.31 1xxj s ARG 176 N 1.73 1.11 0.23 4.34 1.70 0.52 -4.96 118.95 123.61 1xxj s ARG 176 Ca -0.05 -0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 54.48 1xxj s ARG 176 Cb -0.11 0.50 -0.09 0.00 -0.57 0.00 0.00 34.95 34.69 1xxj s ARG 176 CO -0.09 -0.44 1.00 0.42 -1.08 0.00 0.00 175.30 175.12 1xxj s ILE 177 N -3.19 3.93 -0.26 4.99 1.01 -1.26 -3.92 121.20 122.50 1xxj s ILE 177 Ca -0.01 1.88 -0.00 0.00 0.00 0.00 0.00 60.65 62.51 1xxj s ILE 177 Cb 0.00 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.35 1xxj s ILE 177 CO -0.08 0.42 0.03 -0.22 0.00 0.00 0.00 174.94 175.09 1xxj s LEU 178 N -1.04 2.28 0.04 2.97 2.96 -0.56 -4.82 118.68 120.50 1xxj s LEU 178 Ca 0.43 -1.32 0.09 0.00 -0.22 0.00 0.00 54.13 53.11 1xxj s LEU 178 Cb -0.28 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1xxj s LEU 178 CO 0.35 -0.33 -0.25 -0.55 -1.32 0.00 0.00 176.35 174.25 1xxj s SER 179 N 1.55 2.94 0.31 3.68 0.15 -1.26 -1.57 113.70 119.49 1xxj s SER 179 Ca 0.02 -0.56 -0.18 0.00 0.70 0.00 0.00 55.95 55.93 1xxj s SER 179 Cb -0.18 -0.26 0.03 0.00 -1.71 0.00 0.00 66.02 63.89 1xxj s SER 179 CO -0.13 0.23 0.70 0.28 1.20 0.00 0.00 173.24 175.52 1xxj s THR 180 N -0.79 0.00 -0.17 6.45 -1.32 -0.84 -0.84 115.64 118.13 1xxj s THR 180 Ca 0.10 -1.07 0.01 0.00 -1.21 0.00 0.00 61.69 59.52 1xxj s THR 180 Cb -0.10 -2.30 0.01 0.00 -1.51 0.00 0.00 72.50 68.60 1xxj s THR 180 CO 0.02 0.00 -0.18 -1.81 -2.21 0.00 0.00 174.62 170.44 1xxj s ASP 181 N -2.99 3.35 -0.25 8.08 1.01 -1.24 -1.04 116.67 123.59 1xxj s ASP 181 Ca 0.14 -0.58 -0.18 0.00 0.71 0.00 0.00 52.55 52.64 1xxj s ASP 181 Cb -0.05 -1.52 -0.03 0.00 1.01 0.00 0.00 42.92 42.34 1xxj s ASP 181 CO 0.09 0.03 0.52 -0.69 0.21 0.00 0.00 175.17 175.33 1xxj s VAL 182 N 1.14 5.07 -0.29 -1.27 1.01 0.44 -3.91 120.40 122.60 1xxj s VAL 182 Ca 0.01 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1xxj s VAL 182 Cb -0.14 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.47 1xxj s VAL 182 CO -0.07 0.10 -0.03 -0.62 0.00 0.00 0.00 175.10 174.47 1xxj s ASP 183 N 1.49 4.75 -0.06 3.32 -1.08 -0.87 -3.40 116.67 120.83 1xxj s ASP 183 Ca 0.22 -1.38 0.03 0.00 -0.52 0.00 0.00 52.55 50.89 1xxj s ASP 183 Cb -0.16 -1.66 0.01 0.00 -1.46 0.00 0.00 42.92 39.66 1xxj s ASP 183 CO 0.09 -0.25 -0.13 0.00 0.52 0.00 0.00 175.17 175.40 1xxj s ALA 184 N 1.18 1.26 -0.04 3.66 0.00 -0.35 0.77 121.76 128.24 1xxj s ALA 184 Ca -0.05 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1xxj s ALA 184 Cb -0.20 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 1xxj s ALA 184 CO -0.03 0.14 -0.14 0.99 0.00 0.00 0.00 175.76 176.72 1xxj s THR 185 N 0.54 1.20 -0.08 0.00 2.01 0.11 -0.93 115.64 118.49 1xxj s THR 185 Ca -0.12 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1xxj s THR 185 Cb -0.15 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 1xxj s THR 185 CO 0.03 0.35 -0.24 -1.66 -0.69 0.00 0.00 174.62 172.42 1xxj s TRP 186 N 0.10 2.52 -0.22 4.92 -2.14 0.47 0.61 118.94 125.19 1xxj s TRP 186 Ca -0.04 -0.90 -0.06 0.00 2.66 0.00 0.00 56.10 57.76 1xxj s TRP 186 Cb -0.11 -1.67 -0.03 0.00 -3.10 0.00 0.00 33.47 28.57 1xxj s TRP 186 CO 0.02 -0.33 0.04 -1.14 -2.66 0.00 0.00 176.95 172.88 1xxj s GLN 187 N 0.13 3.67 0.61 3.25 0.74 0.07 -1.07 119.66 127.07 1xxj s GLN 187 Ca -0.12 -0.48 -0.14 0.00 0.05 0.00 0.00 55.36 54.67 1xxj s GLN 187 Cb -0.16 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 1xxj s GLN 187 CO 0.07 -0.06 1.04 -1.58 -0.55 0.00 0.00 175.29 174.20 1xxj s TRP 188 N 1.24 3.22 0.32 1.67 0.52 -0.64 -0.16 118.94 125.11 1xxj s TRP 188 Ca 0.04 1.45 -0.29 0.00 0.02 0.00 0.00 56.10 57.32 1xxj s TRP 188 Cb -0.15 -2.89 -0.11 0.00 -1.15 0.00 0.00 33.47 29.18 1xxj s TRP 188 CO 0.02 -0.92 1.41 0.21 0.02 0.00 0.00 176.95 177.70 1xxj s LYS 189 N -4.48 4.24 0.25 4.98 2.36 0.21 -4.57 119.74 122.73 1xxj s LYS 189 Ca 0.60 2.37 -0.28 0.00 -2.55 0.00 0.00 55.97 56.11 1xxj s LYS 189 Cb -0.13 -3.04 -0.15 0.00 -1.05 0.00 0.00 37.83 33.45 1xxj s LYS 189 CO 0.43 -0.38 0.84 -1.71 1.55 0.00 0.00 175.35 176.08 1xxj n ASN 190 N 1.13 0.37 -4.57 1.43 2.85 -1.26 -4.87 115.26 110.35 1xxj n ASN 190 Ca 0.02 1.16 -0.32 0.00 -0.11 0.00 0.00 54.58 55.33 1xxj n ASN 190 Cb 0.40 -1.16 -0.11 0.00 1.24 0.00 0.00 39.78 40.15 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 -0.99 2.83 0.24 1.20 0.08 -0.74 -4.93 117.98 115.67 1xxj s PHE 191 Ca 0.61 -0.07 -0.04 0.00 0.12 0.00 0.00 56.93 57.55 1xxj s PHE 191 Cb -0.79 -1.59 0.25 0.00 -0.57 0.00 0.00 43.02 40.32 1xxj s PHE 191 CO 0.58 0.35 1.71 0.66 -0.10 0.00 0.00 175.22 178.42 1xxj h SER 192 N 4.56 0.81 0.00 1.36 4.64 -1.93 0.62 113.55 123.62 1xxj h SER 192 Ca -0.48 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 1xxj h SER 192 Cb 1.17 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1xxj h SER 192 CO 0.53 0.91 0.00 0.61 -0.87 0.00 0.00 176.83 178.01 1xxj n GLY 193 N -0.50 -1.17 0.30 -0.77 0.00 -1.26 -4.29 105.19 97.50 1xxj n GLY 193 Ca 0.02 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.22 1xxj n GLY 193 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xxj h LEU 194 N 0.00 0.28 -0.24 0.99 3.38 -1.93 -2.28 115.31 115.51 1xxj h LEU 194 Ca 0.00 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1xxj h LEU 194 Cb 0.00 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1xxj h LEU 194 CO 0.00 0.05 -0.16 1.56 0.09 0.00 0.00 178.44 179.98 1xxj h GLN 195 N 0.42 -0.14 -0.04 1.13 1.08 -1.99 0.30 115.11 115.87 1xxj h GLN 195 Ca 0.48 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.62 1xxj h GLN 195 Cb 0.82 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 1xxj h GLN 195 CO -0.47 -0.09 -0.31 1.49 -0.95 0.00 0.00 178.83 178.49 1xxj h GLU 196 N -0.14 0.08 -0.25 1.46 4.81 -1.82 -1.32 114.58 117.40 1xxj h GLU 196 Ca 0.13 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1xxj h GLU 196 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1xxj h GLU 196 CO -0.33 0.38 -0.13 0.28 -0.73 0.00 0.00 179.01 178.49 1xxj h VAL 197 N 0.07 1.30 -0.11 0.32 2.07 -0.84 -2.61 116.25 116.46 1xxj h VAL 197 Ca 0.01 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1xxj h VAL 197 Cb 0.59 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1xxj h VAL 197 CO 0.04 0.38 -0.10 0.03 0.02 0.00 0.00 177.57 177.94 1xxj h ARG 198 N 0.25 0.16 0.00 1.57 3.08 -0.13 -1.59 114.38 117.72 1xxj h ARG 198 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1xxj h ARG 198 Cb 0.64 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1xxj h ARG 198 CO 0.04 0.28 -0.07 1.03 -1.07 0.00 0.00 179.97 180.17 1xxj h SER 199 N 0.16 0.00 -0.14 7.04 0.87 -0.86 -3.06 113.55 117.55 1xxj h SER 199 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1xxj h SER 199 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1xxj h SER 199 CO 0.02 0.07 0.00 1.41 -0.53 0.00 0.00 176.83 177.80 1xxj n HIS 200 N -3.59 0.19 -0.39 2.24 8.25 -0.63 -4.87 115.22 116.42 1xxj n HIS 200 Ca -0.02 -0.49 -0.03 0.00 -0.26 0.00 0.00 57.72 56.92 1xxj n HIS 200 Cb 0.19 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.07 -0.56 0.07 1.59 0.31 -1.03 -0.66 118.33 117.99 1xxj n VAL 201 Ca 0.05 2.36 0.18 0.00 -0.01 0.00 0.00 64.34 66.92 1xxj n VAL 201 Cb 0.32 -3.07 0.72 0.00 -0.91 0.00 0.00 33.84 30.89 1xxj n VAL 201 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1xxj h PRO 202 N 0.00 0.00 -0.58 5.55 0.13 -1.89 -2.43 132.00 132.79 1xxj h PRO 202 Ca 0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.43 1xxj h PRO 202 Cb 0.56 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 1xxj h PRO 202 CO -0.98 0.00 0.31 0.87 -0.23 0.00 0.00 178.00 177.97 1xxj h LYS 203 N 0.00 0.82 0.01 0.86 1.57 -1.28 -3.17 116.57 115.37 1xxj h LYS 203 Ca 0.19 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1xxj h LYS 203 Cb 0.83 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1xxj h LYS 203 CO -0.00 0.63 -0.35 0.74 -0.57 0.00 0.00 179.45 179.90 1xxj h PHE 204 N 0.78 -1.04 -0.78 -1.35 0.04 -1.50 0.14 116.94 113.23 1xxj h PHE 204 Ca 0.20 0.03 0.10 0.00 2.80 0.00 0.00 57.97 61.11 1xxj h PHE 204 Cb 0.06 0.45 -0.05 0.00 2.20 0.00 0.00 35.95 38.61 1xxj h PHE 204 CO -0.01 -0.38 0.51 -0.44 -0.60 0.00 0.00 178.31 177.39 1xxj h ASP 205 N -0.45 0.63 -0.05 2.17 3.32 -1.72 -1.91 116.42 118.41 1xxj h ASP 205 Ca 0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xxj h ASP 205 Cb 0.48 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1xxj h ASP 205 CO -0.23 0.37 -0.01 0.00 -1.72 0.00 0.00 179.24 177.65 1xxj h ALA 206 N 1.61 0.06 -0.58 3.45 0.00 -1.40 -2.21 119.26 120.19 1xxj h ALA 206 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xxj h ALA 206 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xxj h ALA 206 CO -0.14 -0.25 0.34 1.15 0.00 0.00 0.00 179.25 180.36 1xxj h THR 207 N -0.24 1.17 0.14 0.00 2.02 -0.36 0.14 112.91 115.78 1xxj h THR 207 Ca 0.01 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1xxj h THR 207 Cb 0.37 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1xxj h THR 207 CO 0.00 0.18 -0.07 -0.25 0.37 0.00 0.00 175.52 175.75 1xxj h TRP 208 N 0.79 -0.17 -0.76 3.16 7.01 -1.35 0.01 115.95 124.64 1xxj h TRP 208 Ca 0.21 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.30 1xxj h TRP 208 Cb -0.02 0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.05 1xxj h TRP 208 CO 0.00 0.14 0.50 0.00 -2.79 0.00 0.00 178.44 176.29 1xxj h ALA 209 N 0.30 1.82 0.66 2.65 0.00 -0.82 -0.62 119.26 123.25 1xxj h ALA 209 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xxj h ALA 209 Cb 0.40 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xxj h ALA 209 CO 0.03 0.02 -0.32 1.15 0.00 0.00 0.00 179.25 180.13 1xxj h THR 210 N 0.66 0.16 -0.86 0.00 2.02 -0.52 -2.45 112.91 111.92 1xxj h THR 210 Ca 0.35 -0.30 0.20 0.00 0.77 0.00 0.00 66.41 67.44 1xxj h THR 210 Cb 0.48 0.22 -0.12 0.00 -1.74 0.00 0.00 68.15 66.99 1xxj h THR 210 CO -0.13 0.02 0.35 0.00 0.37 0.00 0.00 175.52 176.13 1xxj h ALA 211 N -1.00 1.33 0.34 6.16 0.00 -0.39 0.26 119.26 125.96 1xxj h ALA 211 Ca -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xxj h ALA 211 Cb 0.71 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xxj h ALA 211 CO 0.15 -0.32 -0.18 -0.09 0.00 0.00 0.00 179.25 178.81 1xxj h ARG 212 N 0.39 -0.46 -0.87 0.00 2.43 -1.11 -2.07 114.38 112.69 1xxj h ARG 212 Ca 0.52 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.90 1xxj h ARG 212 Cb 0.96 0.11 -0.16 0.00 -0.42 0.00 0.00 29.97 30.45 1xxj h ARG 212 CO -0.52 -0.31 -0.20 1.49 -1.51 0.00 0.00 179.97 178.93 1xxj h GLU 213 N -0.48 0.00 0.00 0.20 4.81 -0.88 0.63 114.58 118.86 1xxj h GLU 213 Ca -0.05 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1xxj h GLU 213 Cb 0.38 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1xxj h GLU 213 CO 0.07 0.00 -0.08 0.28 -0.73 0.00 0.00 179.01 178.55 1xxj h VAL 214 N 0.00 0.59 0.00 0.32 2.07 -0.50 -0.00 116.25 118.74 1xxj h VAL 214 Ca 0.42 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1xxj h VAL 214 Cb 0.66 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1xxj h VAL 214 CO -0.88 0.07 -0.14 0.74 0.02 0.00 0.00 177.57 177.38 1xxj h THR 215 N 0.00 1.25 0.86 2.57 2.02 0.94 -2.96 112.91 117.59 1xxj h THR 215 Ca -0.00 -1.98 -0.04 0.00 0.77 0.00 0.00 66.41 65.16 1xxj h THR 215 Cb 0.20 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1xxj h THR 215 CO 0.01 0.42 -0.47 -0.07 0.37 0.00 0.00 175.52 175.78 1xxj h LEU 216 N -1.00 -1.16 -0.53 2.58 -0.00 -1.06 -1.92 115.31 112.21 1xxj h LEU 216 Ca -0.03 0.05 0.05 0.00 -0.00 0.00 0.00 57.88 57.95 1xxj h LEU 216 Cb 0.79 0.32 -0.07 0.00 -0.00 0.00 0.00 40.66 41.70 1xxj h LEU 216 CO -0.02 -0.76 -0.36 0.50 -0.00 0.00 0.00 178.44 177.80 1xxj h LYS 217 N -1.23 -0.06 -0.04 1.13 3.64 -1.16 0.34 116.57 119.19 1xxj h LYS 217 Ca -0.12 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1xxj h LYS 217 Cb 0.97 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 1xxj h LYS 217 CO 0.16 -0.04 -0.26 1.15 -2.27 0.00 0.00 179.45 178.19 1xxj h THR 218 N -0.06 0.41 -0.62 1.00 2.02 -1.58 0.39 112.91 114.47 1xxj h THR 218 Ca 0.09 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.39 1xxj h THR 218 Cb 0.28 0.41 -0.12 0.00 -1.74 0.00 0.00 68.15 66.98 1xxj h THR 218 CO -0.53 0.00 -0.16 0.15 0.37 0.00 0.00 175.52 175.35 1xxj h PHE 219 N -0.38 -0.34 -0.18 3.16 3.57 -0.44 0.47 116.94 122.80 1xxj h PHE 219 Ca 0.07 0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 1xxj h PHE 219 Cb 0.48 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1xxj h PHE 219 CO -0.31 -0.27 -0.50 0.00 -2.23 0.00 0.00 178.31 175.00 1xxj h ALA 220 N 1.61 0.80 0.00 2.41 0.00 0.28 -3.37 119.26 120.99 1xxj h ALA 220 Ca 0.30 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1xxj h ALA 220 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xxj h ALA 220 CO -0.64 0.67 -0.46 0.93 0.00 0.00 0.00 179.25 179.75 1xxj h GLU 221 N 0.38 0.00 -6.14 0.00 5.08 -0.13 -3.48 114.58 110.31 1xxj h GLU 221 Ca 0.02 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.68 1xxj h GLU 221 Cb 1.01 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.34 1xxj h GLU 221 CO 0.09 0.73 -0.06 -3.47 -1.00 0.00 0.00 179.01 175.30 1xxj n ASP 222 N -4.58 0.10 -4.21 1.42 2.03 0.08 -4.86 116.55 106.53 1xxj n ASP 222 Ca -0.15 1.15 -0.44 0.00 0.52 0.00 0.00 54.79 55.86 1xxj n ASP 222 Cb 0.45 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 1xxj n ASP 222 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1xxj n ASN 223 N 1.82 5.80 -4.58 1.67 2.85 -1.26 -4.84 115.26 116.73 1xxj n ASN 223 Ca 0.17 -3.17 -0.64 0.00 -0.11 0.00 0.00 54.58 50.83 1xxj n ASN 223 Cb 0.20 -1.36 -0.09 0.00 1.24 0.00 0.00 39.78 39.77 1xxj n ASN 223 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1xxj n SER 224 N 2.46 0.79 0.00 1.20 2.88 -0.95 -4.81 113.62 115.20 1xxj n SER 224 Ca 0.26 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 59.07 1xxj n SER 224 Cb 0.37 -0.88 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 1xxj n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xxj n ALA 225 N 3.12 4.27 0.00 -1.46 0.00 -1.26 -0.20 120.51 124.98 1xxj n ALA 225 Ca 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1xxj n ALA 225 Cb -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1xxj n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xxj n SER 226 N -1.58 0.00 -0.30 0.00 2.88 -1.24 -4.54 113.62 108.84 1xxj n SER 226 Ca 0.04 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.78 1xxj n SER 226 Cb 0.35 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.31 1xxj n SER 226 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1xxj h VAL 227 N 0.11 0.60 -0.71 2.46 2.07 -1.93 0.27 116.25 119.12 1xxj h VAL 227 Ca 0.00 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1xxj h VAL 227 Cb 0.00 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 1xxj h VAL 227 CO 0.00 0.08 0.45 1.56 0.02 0.00 0.00 177.57 179.68 1xxj h GLN 228 N 0.43 0.87 0.41 1.57 7.50 -1.98 -1.45 115.11 122.45 1xxj h GLN 228 Ca 0.55 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.62 1xxj h GLN 228 Cb 1.34 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.68 1xxj h GLN 228 CO -0.25 0.57 -0.20 0.00 -1.50 0.00 0.00 178.83 177.45 1xxj h ALA 229 N 1.30 -0.55 -0.98 3.87 0.00 -0.88 -2.70 119.26 119.32 1xxj h ALA 229 Ca 0.28 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.20 1xxj h ALA 229 Cb -0.01 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 1xxj h ALA 229 CO -0.10 -0.62 0.62 1.15 0.00 0.00 0.00 179.25 180.30 1xxj h THR 230 N -0.93 0.69 0.80 0.00 2.02 -1.26 -2.40 112.91 111.83 1xxj h THR 230 Ca -0.06 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1xxj h THR 230 Cb 0.55 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1xxj h THR 230 CO 0.09 0.12 -0.43 0.24 0.37 0.00 0.00 175.52 175.92 1xxj h MET 231 N 0.66 -1.08 -0.80 6.66 2.07 -1.23 -2.64 114.93 118.57 1xxj h MET 231 Ca 0.55 0.07 0.19 0.00 -2.07 0.00 0.00 59.70 58.44 1xxj h MET 231 Cb 1.00 0.25 -0.13 0.00 -1.87 0.00 0.00 31.60 30.85 1xxj h MET 231 CO -0.32 -0.72 0.17 -0.92 1.07 0.00 0.00 176.91 176.19 1xxj h TYR 232 N -1.13 0.25 0.02 -0.22 3.20 -1.10 -0.19 116.97 117.80 1xxj h TYR 232 Ca -0.11 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1xxj h TYR 232 Cb 0.88 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 1xxj h TYR 232 CO -0.01 -0.16 -0.36 0.87 -1.64 0.00 0.00 178.16 176.86 1xxj h LYS 233 N 0.22 -0.45 -0.82 1.82 1.57 -1.38 0.65 116.57 118.18 1xxj h LYS 233 Ca 0.47 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.44 1xxj h LYS 233 Cb 0.86 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.12 1xxj h LYS 233 CO -0.59 -0.30 -0.22 0.52 -0.57 0.00 0.00 179.45 178.29 1xxj h MET 234 N -0.47 -0.01 0.20 3.15 2.86 -0.71 0.17 114.93 120.13 1xxj h MET 234 Ca 0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1xxj h MET 234 Cb 0.50 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1xxj h MET 234 CO -0.23 -0.00 -0.30 0.00 1.06 0.00 0.00 176.91 177.44 1xxj h ALA 235 N 1.78 -0.56 -0.65 6.32 0.00 -0.59 -2.71 119.26 122.85 1xxj h ALA 235 Ca 0.39 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.29 1xxj h ALA 235 Cb 0.60 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 1xxj h ALA 235 CO -0.85 -0.86 -0.52 0.93 0.00 0.00 0.00 179.25 177.95 1xxj h GLU 236 N -0.57 -0.17 -0.89 0.00 5.08 0.12 0.13 114.58 118.29 1xxj h GLU 236 Ca 0.01 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1xxj h GLU 236 Cb 0.56 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1xxj h GLU 236 CO -0.12 -0.11 0.57 1.96 -1.00 0.00 0.00 179.01 180.31 1xxj h GLN 237 N -0.17 0.75 0.06 2.33 4.20 -1.39 -0.64 115.11 120.25 1xxj h GLN 237 Ca 0.11 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1xxj h GLN 237 Cb 0.45 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1xxj h GLN 237 CO -0.70 0.50 -0.03 0.82 -0.67 0.00 0.00 178.83 178.74 1xxj h ILE 238 N 0.77 0.99 -0.03 2.54 1.08 -0.44 -0.24 117.51 122.19 1xxj h ILE 238 Ca 0.43 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.71 1xxj h ILE 238 Cb 0.58 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1xxj h ILE 238 CO -0.19 0.05 0.02 -0.07 -0.69 0.00 0.00 178.15 177.26 1xxj h LEU 239 N -0.17 0.04 -0.94 1.44 3.38 -0.85 -1.96 115.31 116.25 1xxj h LEU 239 Ca -0.01 -0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.00 1xxj h LEU 239 Cb 0.15 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1xxj h LEU 239 CO 0.01 0.13 0.56 0.00 0.09 0.00 0.00 178.44 179.23 1xxj h ALA 240 N 0.91 1.45 0.00 1.53 0.00 -1.02 -2.56 119.26 119.57 1xxj h ALA 240 Ca 0.01 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xxj h ALA 240 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xxj h ALA 240 CO -0.00 0.06 -0.48 0.00 0.00 0.00 0.00 179.25 178.82 1xxj h ARG 241 N 0.82 0.00 -4.29 0.00 3.08 -0.57 -3.42 114.38 110.00 1xxj h ARG 241 Ca 0.50 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.98 1xxj h ARG 241 Cb 0.62 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.29 1xxj h ARG 241 CO -0.32 0.48 -0.80 -1.14 -1.07 0.00 0.00 179.97 177.13 1xxj s GLN 242 N -3.65 1.62 0.28 0.04 2.00 -0.78 -5.00 119.66 114.17 1xxj s GLN 242 Ca -0.01 -0.59 -0.01 0.00 -2.00 0.00 0.00 55.36 52.75 1xxj s GLN 242 Cb 0.12 -2.10 0.39 0.00 0.80 0.00 0.00 33.01 32.21 1xxj s GLN 242 CO 0.72 -0.42 1.79 0.37 -0.50 0.00 0.00 175.29 177.25 1xxj h GLN 243 N 8.08 0.75 0.00 1.67 5.75 -1.83 -3.11 115.11 126.41 1xxj h GLN 243 Ca -0.26 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.04 1xxj h GLN 243 Cb 1.11 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.56 1xxj h GLN 243 CO 0.43 0.75 -0.08 -0.07 -2.65 0.00 0.00 178.83 177.21 1xxj h LEU 244 N 0.70 0.00 -9.60 -2.39 -0.00 -1.94 -3.43 115.31 98.65 1xxj h LEU 244 Ca 0.14 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.50 1xxj h LEU 244 Cb 0.41 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1xxj h LEU 244 CO 0.02 0.08 0.57 -0.63 -0.00 0.00 0.00 178.44 178.47 1xxj s ILE 245 N -4.37 3.70 -0.24 1.22 -1.09 -1.18 -0.62 121.20 118.62 1xxj s ILE 245 Ca -0.04 1.34 0.22 0.00 -2.23 0.00 0.00 60.65 59.95 1xxj s ILE 245 Cb 0.14 -3.86 -0.25 0.00 -1.58 0.00 0.00 42.46 36.91 1xxj s ILE 245 CO 0.57 0.17 0.68 -0.62 -1.23 0.00 0.00 174.94 174.51 1xxj n GLU 246 N 3.05 0.53 -3.59 2.79 1.02 0.77 -4.83 120.64 120.38 1xxj n GLU 246 Ca 0.06 -0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 1xxj n GLU 246 Cb 0.45 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1xxj n GLU 246 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1xxj s THR 247 N -3.40 0.00 -0.05 2.62 -1.32 -1.18 -3.98 115.64 108.33 1xxj s THR 247 Ca -0.04 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.51 1xxj s THR 247 Cb 0.14 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.11 1xxj s THR 247 CO 0.88 0.00 -0.25 -0.69 -2.21 0.00 0.00 174.62 172.35 1xxj s VAL 248 N -0.66 2.02 -0.07 5.08 1.01 0.09 -0.75 120.40 127.13 1xxj s VAL 248 Ca -0.02 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1xxj s VAL 248 Cb -0.02 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1xxj s VAL 248 CO 0.01 0.56 -0.15 -0.70 0.00 0.00 0.00 175.10 174.82 1xxj s GLU 249 N -0.21 1.98 -0.03 2.72 2.12 0.20 -0.57 118.70 124.90 1xxj s GLU 249 Ca -0.02 -0.53 0.07 0.00 0.36 0.00 0.00 54.97 54.85 1xxj s GLU 249 Cb -0.13 -1.60 -0.02 0.00 0.26 0.00 0.00 34.13 32.64 1xxj s GLU 249 CO 0.03 0.09 -0.25 0.71 -0.54 0.00 0.00 175.26 175.30 1xxj s TYR 250 N 0.51 2.39 -0.20 5.30 2.02 -0.95 0.07 117.35 126.49 1xxj s TYR 250 Ca -0.14 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.08 1xxj s TYR 250 Cb -0.16 -1.53 0.06 0.00 -0.40 0.00 0.00 41.96 39.93 1xxj s TYR 250 CO 0.05 -0.05 -0.01 0.45 -1.57 0.00 0.00 175.55 174.42 1xxj s SER 251 N -0.53 3.20 -0.22 2.29 0.15 0.23 -2.20 113.70 116.62 1xxj s SER 251 Ca 0.07 -0.91 0.02 0.00 0.70 0.00 0.00 55.95 55.83 1xxj s SER 251 Cb -0.11 -0.83 0.04 0.00 -1.71 0.00 0.00 66.02 63.41 1xxj s SER 251 CO 0.00 -0.27 -0.15 -0.76 1.20 0.00 0.00 173.24 173.27 1xxj s LEU 252 N 1.67 2.75 -0.62 3.45 1.43 0.13 -2.05 118.68 125.44 1xxj s LEU 252 Ca -0.02 -1.02 -0.19 0.00 -1.03 0.00 0.00 54.13 51.87 1xxj s LEU 252 Cb -0.17 -1.48 0.11 0.00 0.03 0.00 0.00 46.19 44.67 1xxj s LEU 252 CO -0.07 -0.10 0.74 -2.16 0.23 0.00 0.00 176.35 174.98 1xxj s PRO 253 N 1.21 3.08 -0.27 1.29 0.04 -1.25 -0.92 135.00 138.18 1xxj s PRO 253 Ca -0.02 -1.35 -0.29 0.00 0.04 0.00 0.00 61.00 59.38 1xxj s PRO 253 Cb -0.17 -4.29 -0.00 0.00 0.04 0.00 0.00 34.50 30.08 1xxj s PRO 253 CO -0.09 -1.56 1.30 0.54 0.04 0.00 0.00 177.00 177.23 1xxj s ASN 254 N 3.59 6.72 -0.41 6.66 4.22 -0.68 -3.65 114.94 131.40 1xxj s ASN 254 Ca 0.13 1.32 -0.20 0.00 -2.14 0.00 0.00 52.86 51.96 1xxj s ASN 254 Cb -0.23 -2.54 0.01 0.00 1.28 0.00 0.00 41.25 39.78 1xxj s ASN 254 CO 0.05 -1.02 0.62 -0.54 -2.04 0.00 0.00 177.10 174.18 1xxj s LYS 255 N 4.03 3.42 0.29 3.55 1.02 -0.02 -2.54 119.74 129.48 1xxj s LYS 255 Ca 0.56 -0.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.01 1xxj s LYS 255 Cb -0.18 -3.90 -0.10 0.00 -0.52 0.00 0.00 37.83 33.14 1xxj s LYS 255 CO 0.21 -0.89 1.14 -1.01 -0.92 0.00 0.00 175.35 173.88 1xxj s HIS 256 N 2.72 3.48 -0.21 3.18 3.76 -1.26 -4.12 115.29 122.83 1xxj s HIS 256 Ca 0.22 1.64 0.02 0.00 -0.15 0.00 0.00 55.06 56.79 1xxj s HIS 256 Cb -0.14 -3.36 0.04 0.00 1.11 0.00 0.00 32.58 30.22 1xxj s HIS 256 CO 0.17 -0.81 -0.14 0.71 -0.85 0.00 0.00 174.74 173.83 1xxj s TYR 257 N -1.13 2.77 0.08 1.40 1.51 -1.26 -1.50 117.35 119.22 1xxj s TYR 257 Ca 0.45 -1.81 -0.13 0.00 -1.01 0.00 0.00 57.07 54.58 1xxj s TYR 257 Cb -0.33 -1.82 -0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1xxj s TYR 257 CO 0.43 -0.80 0.45 -0.06 -1.11 0.00 0.00 175.55 174.46 1xxj s PHE 258 N 1.28 3.64 0.55 2.71 0.40 -0.77 -4.86 117.98 120.94 1xxj s PHE 258 Ca -0.01 0.95 -0.17 0.00 -0.60 0.00 0.00 56.93 57.10 1xxj s PHE 258 Cb -0.16 -2.27 -0.06 0.00 0.51 0.00 0.00 43.02 41.04 1xxj s PHE 258 CO -0.09 0.53 1.03 -1.21 0.70 0.00 0.00 175.22 176.18 1xxj s GLU 259 N -1.64 3.59 -0.32 0.44 2.02 -1.26 -0.12 118.70 121.41 1xxj s GLU 259 Ca 0.31 1.15 -0.01 0.00 0.02 0.00 0.00 54.97 56.45 1xxj s GLU 259 Cb -0.15 -2.07 0.07 0.00 0.10 0.00 0.00 34.13 32.07 1xxj s GLU 259 CO 0.17 -0.58 0.04 0.42 0.02 0.00 0.00 175.26 175.33 1xxj s ILE 260 N -2.43 2.95 -0.02 -1.63 1.01 -1.24 -4.82 121.20 115.02 1xxj s ILE 260 Ca 0.63 -1.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 1xxj s ILE 260 Cb -0.14 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 1xxj s ILE 260 CO 0.32 -0.26 1.61 -0.62 0.00 0.00 0.00 174.94 175.99 1xxj s ASP 261 N 1.33 6.69 0.00 3.58 2.15 -1.26 -4.67 116.67 124.48 1xxj s ASP 261 Ca -0.02 2.27 0.02 0.00 0.43 0.00 0.00 52.55 55.25 1xxj s ASP 261 Cb -0.20 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 39.94 1xxj s ASP 261 CO -0.02 -0.88 1.02 0.18 -0.17 0.00 0.00 175.17 175.29 1xxj n LEU 262 N 6.49 2.13 -0.10 -1.34 4.77 -1.26 -4.72 117.00 122.97 1xxj n LEU 262 Ca 0.16 -1.92 0.26 0.00 -0.03 0.00 0.00 56.01 54.48 1xxj n LEU 262 Cb 0.42 -0.05 0.72 0.00 -2.33 0.00 0.00 43.42 42.19 1xxj n LEU 262 CO 0.62 0.53 1.23 0.77 -1.33 0.00 0.00 177.39 179.21 1xxj h SER 263 N 0.45 0.00 0.35 -1.43 4.64 -1.72 0.56 113.55 116.40 1xxj h SER 263 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xxj h SER 263 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1xxj h SER 263 CO 0.00 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.29 1xxj n TRP 264 N -4.13 0.00 -4.01 4.77 4.27 -1.26 -2.13 117.44 114.94 1xxj n TRP 264 Ca 0.15 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.45 1xxj n TRP 264 Cb 0.85 -0.36 -0.15 0.00 -1.36 0.00 0.00 31.31 30.30 1xxj n TRP 264 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1xxj s HIS 265 N -2.72 3.76 -1.63 -2.67 5.04 0.20 -4.76 115.29 112.51 1xxj s HIS 265 Ca 0.11 -3.00 -0.16 0.00 -1.54 0.00 0.00 55.06 50.48 1xxj s HIS 265 Cb 0.10 -2.94 0.12 0.00 0.04 0.00 0.00 32.58 29.90 1xxj s HIS 265 CO 0.23 -0.95 0.82 1.63 -2.34 0.00 0.00 174.74 174.14 1xxj n LYS 266 N 4.24 -3.93 -1.26 2.88 5.02 -1.26 -1.01 118.16 122.83 1xxj n LYS 266 Ca 0.04 0.45 -0.11 0.00 -2.02 0.00 0.00 58.31 56.66 1xxj n LYS 266 Cb 0.42 -5.18 -0.05 0.00 -0.02 0.00 0.00 35.03 30.20 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 -1.53 1.07 3.71 0.72 0.00 -0.91 -4.85 105.19 103.40 1xxj n GLY 267 Ca 0.03 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.45 1xxj n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xxj n LEU 268 N -1.56 2.01 -4.57 0.99 7.94 -0.18 -4.69 117.00 116.93 1xxj n LEU 268 Ca -0.11 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.47 1xxj n LEU 268 Cb 0.43 -1.07 -0.04 0.00 0.53 0.00 0.00 43.42 43.26 1xxj n LEU 268 CO 0.17 -0.59 0.68 -1.10 -1.11 0.00 0.00 177.39 175.44 1xxj s GLN 269 N 3.22 3.62 -0.01 1.96 -1.52 -1.26 -2.21 119.66 123.46 1xxj s GLN 269 Ca 0.99 0.22 0.01 0.00 -1.95 0.00 0.00 55.36 54.64 1xxj s GLN 269 Cb -1.18 -3.88 0.02 0.00 -0.22 0.00 0.00 33.01 27.75 1xxj s GLN 269 CO 0.69 -1.06 0.74 -1.71 -0.25 0.00 0.00 175.29 173.70 1xxj n ASN 270 N 6.84 0.65 -4.81 5.90 5.15 -1.24 -4.73 115.26 123.01 1xxj n ASN 270 Ca 0.05 -1.54 -0.31 0.00 -0.60 0.00 0.00 54.58 52.17 1xxj n ASN 270 Cb 0.48 -0.06 -0.05 0.00 -0.53 0.00 0.00 39.78 39.62 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 -0.44 1.26 0.00 -0.44 -4.23 -1.25 -3.63 115.64 106.91 1xxj s THR 271 Ca 0.02 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1xxj s THR 271 Cb 0.02 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1xxj s THR 271 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1xxj n GLY 272 N -1.43 2.62 0.33 3.99 0.00 -1.26 -0.86 105.19 108.58 1xxj n GLY 272 Ca -0.15 -0.10 0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.79 1.61 1.63 -2.00 -1.72 116.57 115.29 1xxj h LYS 273 Ca 0.00 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.56 1xxj h LYS 273 Cb 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 31.49 1xxj h LYS 273 CO 0.00 0.00 0.30 0.09 -3.45 0.00 0.00 179.45 176.39 1xxj n ASN 274 N -4.09 4.65 -4.64 4.20 4.13 -0.04 -4.94 115.26 114.54 1xxj n ASN 274 Ca 0.03 -3.19 -0.42 0.00 1.68 0.00 0.00 54.58 52.68 1xxj n ASN 274 Cb 0.36 -0.75 -0.04 0.00 -1.54 0.00 0.00 39.78 37.80 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 -2.89 3.63 0.09 5.41 0.00 -0.65 -3.72 121.76 123.62 1xxj s ALA 275 Ca 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1xxj s ALA 275 Cb 0.42 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1xxj s ALA 275 CO 0.13 -0.95 0.00 0.39 0.00 0.00 0.00 175.76 175.33 1xxj n GLU 276 N 6.01 0.00 -3.17 0.00 1.02 -1.26 -4.97 120.64 118.27 1xxj n GLU 276 Ca 0.05 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.79 1xxj n GLU 276 Cb 0.48 -0.45 -0.06 0.00 -0.02 0.00 0.00 31.44 31.39 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 5.08 0.44 2.62 1.01 -1.26 -5.07 120.40 121.21 1xxj s VAL 277 Ca 0.00 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.17 1xxj s VAL 277 Cb 0.00 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1xxj s VAL 277 CO 0.00 0.19 0.01 -0.36 0.00 0.00 0.00 175.10 174.94 1xxj s PHE 278 N 1.42 2.30 -0.26 5.22 0.40 -1.26 -3.72 117.98 122.08 1xxj s PHE 278 Ca 0.29 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1xxj s PHE 278 Cb -0.16 -1.71 0.07 0.00 0.51 0.00 0.00 43.02 41.73 1xxj s PHE 278 CO 0.11 0.37 -0.03 0.00 0.70 0.00 0.00 175.22 176.37 1xxj s ALA 279 N -2.78 2.07 0.54 5.36 0.00 0.84 -4.94 121.76 122.85 1xxj s ALA 279 Ca 0.26 -1.55 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 1xxj s ALA 279 Cb 0.07 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1xxj s ALA 279 CO 0.13 -1.30 1.30 -2.14 0.00 0.00 0.00 175.76 173.75 1xxj s PRO 280 N 1.34 3.20 -0.17 0.00 0.02 -1.26 -1.85 135.00 136.28 1xxj s PRO 280 Ca -0.02 2.09 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 1xxj s PRO 280 Cb -0.19 -2.22 -0.00 0.00 0.02 0.00 0.00 34.50 32.11 1xxj s PRO 280 CO -0.08 -1.10 -0.13 -0.65 -0.33 0.00 0.00 177.00 174.71 1xxj s GLN 281 N -2.95 3.23 0.35 5.54 -1.52 -0.56 -4.91 119.66 118.84 1xxj s GLN 281 Ca 0.71 -0.73 0.17 0.00 -1.95 0.00 0.00 55.36 53.57 1xxj s GLN 281 Cb -0.37 -2.71 0.57 0.00 -0.22 0.00 0.00 33.01 30.28 1xxj s GLN 281 CO 0.43 -0.05 1.69 0.77 -0.25 0.00 0.00 175.29 177.87 1xxj h SER 282 N 7.54 0.00 -4.46 5.90 0.02 -1.94 -3.40 113.55 117.21 1xxj h SER 282 Ca -0.36 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.70 1xxj h SER 282 Cb 1.18 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.54 1xxj h SER 282 CO 0.59 0.44 0.54 1.51 -1.14 0.00 0.00 176.83 178.76 1xxj s ASP 283 N -6.52 -0.35 0.00 3.07 1.47 -1.26 -4.80 116.67 108.28 1xxj s ASP 283 Ca 0.00 0.12 0.00 0.00 1.18 0.00 0.00 52.55 53.85 1xxj s ASP 283 Cb 0.11 0.34 0.00 0.00 -0.34 0.00 0.00 42.92 43.03 1xxj s ASP 283 CO 0.71 -0.50 0.00 -0.81 0.68 0.00 0.00 175.17 175.24 1xxj n PRO 284 N 0.06 1.01 -3.63 2.11 -0.04 -1.26 -5.13 135.00 128.12 1xxj n PRO 284 Ca -0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 1xxj n PRO 284 Cb 0.60 0.00 -0.07 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 -1.15 -0.59 0.59 3.54 4.22 -1.26 -4.74 114.94 115.55 1xxj s ASN 285 Ca 0.00 0.92 -0.15 0.00 -2.14 0.00 0.00 52.86 51.48 1xxj s ASN 285 Cb 0.00 0.90 -0.04 0.00 1.28 0.00 0.00 41.25 43.39 1xxj s ASN 285 CO 0.00 -0.37 1.04 -0.83 -2.04 0.00 0.00 177.10 174.90 1xxj s GLY 286 N -0.39 2.06 -0.16 0.45 0.00 -1.05 -4.91 107.32 103.32 1xxj s GLY 286 Ca -0.05 0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.94 1xxj s GLY 286 CO 0.04 0.62 0.13 -2.27 0.00 0.00 0.00 173.10 171.62 1xxj s LEU 287 N -4.53 0.17 -0.06 0.66 2.96 -1.26 -1.68 118.68 114.93 1xxj s LEU 287 Ca 0.62 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1xxj s LEU 287 Cb -0.15 -0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.50 1xxj s LEU 287 CO 0.38 -0.32 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.26 1xxj s ILE 288 N 2.20 2.53 0.03 6.68 1.09 -0.10 -4.99 121.20 128.65 1xxj s ILE 288 Ca 0.04 -0.90 -0.21 0.00 -1.10 0.00 0.00 60.65 58.48 1xxj s ILE 288 Cb -0.15 -1.97 0.04 0.00 -1.06 0.00 0.00 42.46 39.33 1xxj s ILE 288 CO -0.09 0.57 0.47 -1.59 -0.10 0.00 0.00 174.94 174.20 1xxj s LYS 289 N -0.29 0.96 -0.13 2.79 -2.85 -1.26 0.17 119.74 119.13 1xxj s LYS 289 Ca 0.01 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 1xxj s LYS 289 Cb -0.13 0.44 0.12 0.00 -2.06 0.00 0.00 37.83 36.19 1xxj s LYS 289 CO 0.03 -0.33 0.93 0.00 0.10 0.00 0.00 175.35 176.07 1xxj s THR 291 N -1.24 3.54 -0.29 0.00 2.01 -1.26 -2.24 115.64 116.15 1xxj s THR 291 Ca -0.03 -0.78 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 1xxj s THR 291 Cb -0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1xxj s THR 291 CO 0.03 0.15 0.18 -0.69 -0.69 0.00 0.00 174.62 173.60 1xxj s VAL 292 N 1.44 5.09 0.00 3.82 1.01 0.27 -4.97 120.40 127.06 1xxj s VAL 292 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1xxj s VAL 292 Cb -0.17 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1xxj s VAL 292 CO -0.00 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1xxj n GLY 293 N 5.04 2.68 3.82 4.51 0.00 -1.26 -0.73 105.19 119.25 1xxj n GLY 293 Ca -0.14 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.76 3.06 0.00 1.61 0.52 -1.26 -4.98 118.95 116.16 1xxj s ARG 294 Ca 0.00 -0.64 0.09 0.00 -0.52 0.00 0.00 55.73 54.66 1xxj s ARG 294 Cb 0.00 -2.81 0.53 0.00 0.52 0.00 0.00 34.95 33.19 1xxj s ARG 294 CO 0.00 0.57 0.98 0.43 0.02 0.00 0.00 175.30 177.30