#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtu s LEU 3 N 0.00 2.97 -0.22 2.45 2.96 -1.26 -0.26 118.68 125.32 1xtu s LEU 3 Ca 0.00 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1xtu s LEU 3 Cb 0.00 -1.73 0.05 0.00 0.50 0.00 0.00 46.19 45.01 1xtu s LEU 3 CO 0.00 0.07 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.67 1xtu s TYR 4 N 0.94 2.87 -0.46 5.38 1.51 0.25 -4.95 117.35 122.89 1xtu s TYR 4 Ca -0.00 -1.94 -0.10 0.00 -1.01 0.00 0.00 57.07 54.01 1xtu s TYR 4 Cb -0.15 -1.82 0.10 0.00 -0.11 0.00 0.00 41.96 39.99 1xtu s TYR 4 CO 0.01 -0.82 0.33 0.08 -1.11 0.00 0.00 175.55 174.03 1xtu s VAL 5 N 1.24 4.34 -0.90 0.71 1.01 -1.26 -0.53 120.40 125.01 1xtu s VAL 5 Ca -0.04 -1.59 -0.21 0.00 0.00 0.00 0.00 61.98 60.14 1xtu s VAL 5 Cb -0.17 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.53 1xtu s VAL 5 CO -0.08 -0.67 1.22 -0.63 0.00 0.00 0.00 175.10 174.94 1xtu s ILE 6 N 1.42 4.31 -0.59 2.22 -1.09 0.21 -4.86 121.20 122.82 1xtu s ILE 6 Ca 0.04 -0.94 0.02 0.00 -2.23 0.00 0.00 60.65 57.55 1xtu s ILE 6 Cb -0.25 -4.87 0.40 0.00 -1.58 0.00 0.00 42.46 36.16 1xtu s ILE 6 CO 0.01 -1.67 1.48 -0.90 -1.23 0.00 0.00 174.94 172.63 1xtu n ASP 7 N 7.75 5.86 -4.89 3.58 5.68 -1.26 -4.48 116.55 128.78 1xtu n ASP 7 Ca 0.21 -3.77 -0.29 0.00 -0.50 0.00 0.00 54.79 50.44 1xtu n ASP 7 Cb 0.49 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1xtu n ASP 7 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1xtu s LYS 8 N -3.75 3.57 0.18 0.11 1.02 -1.26 -4.83 119.74 114.78 1xtu s LYS 8 Ca 0.50 0.39 -0.26 0.00 0.02 0.00 0.00 55.97 56.63 1xtu s LYS 8 Cb 0.42 -2.28 0.05 0.00 -0.52 0.00 0.00 37.83 35.50 1xtu s LYS 8 CO -0.25 -0.32 1.55 -1.35 -0.92 0.00 0.00 175.35 174.06 1xtu h PRO 9 N 0.09 -0.07 -0.98 -1.68 0.11 -1.99 -0.93 132.00 126.55 1xtu h PRO 9 Ca -0.46 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.72 1xtu h PRO 9 Cb 1.20 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1xtu h PRO 9 CO 0.62 -0.05 0.63 0.97 -0.21 0.00 0.00 178.00 179.96 1xtu h ILE 10 N -0.08 1.09 0.00 4.15 6.09 -1.99 0.44 117.51 127.22 1xtu h ILE 10 Ca 0.22 -0.39 -0.15 0.00 -1.37 0.00 0.00 64.86 63.16 1xtu h ILE 10 Cb 0.51 -0.16 -0.02 0.00 0.47 0.00 0.00 36.82 37.63 1xtu h ILE 10 CO -0.88 0.21 -0.72 0.71 -3.07 0.00 0.00 178.15 174.40 1xtu h THR 11 N 1.14 1.52 -0.08 2.19 1.35 -1.61 -1.89 112.91 115.53 1xtu h THR 11 Ca 0.42 -2.48 -0.23 0.00 -0.55 0.00 0.00 66.41 63.57 1xtu h THR 11 Cb 0.17 2.34 0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1xtu h THR 11 CO -0.16 0.71 -0.86 -0.07 -0.25 0.00 0.00 175.52 174.88 1xtu h LEU 12 N 0.00 0.82 -0.13 3.87 3.38 -0.40 -0.43 115.31 122.42 1xtu h LEU 12 Ca -0.01 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.42 1xtu h LEU 12 Cb 1.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1xtu h LEU 12 CO 0.09 1.37 -0.11 -0.74 0.09 0.00 0.00 178.44 179.15 1xtu h HIS 13 N 0.42 -0.26 -0.56 1.13 2.76 0.02 0.20 115.15 118.86 1xtu h HIS 13 Ca -0.07 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 1xtu h HIS 13 Cb 1.49 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.56 1xtu h HIS 13 CO 0.08 -0.16 0.20 0.82 -1.30 0.00 0.00 177.93 177.56 1xtu h ILE 14 N -0.12 1.23 -0.85 6.26 2.04 -1.32 -2.35 117.51 122.40 1xtu h ILE 14 Ca 0.09 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1xtu h ILE 14 Cb 0.25 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1xtu h ILE 14 CO -0.21 0.29 0.56 0.25 0.00 0.00 0.00 178.15 179.04 1xtu h LEU 15 N 0.78 0.89 -0.31 1.44 5.85 -0.47 -0.92 115.31 122.57 1xtu h LEU 15 Ca 0.18 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1xtu h LEU 15 Cb 0.25 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1xtu h LEU 15 CO -0.01 0.61 0.19 0.74 -0.34 0.00 0.00 178.44 179.62 1xtu h THR 16 N 1.03 1.04 -0.98 1.05 2.02 -0.11 0.10 112.91 117.08 1xtu h THR 16 Ca 0.34 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.42 1xtu h THR 16 Cb 0.07 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1xtu h THR 16 CO -0.11 0.07 0.64 1.56 0.37 0.00 0.00 175.52 178.06 1xtu h GLN 17 N 0.38 1.24 -0.55 6.66 4.20 -0.92 -0.14 115.11 125.98 1xtu h GLN 17 Ca 0.12 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1xtu h GLN 17 Cb -0.01 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 1xtu h GLN 17 CO -0.05 0.82 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.83 1xtu h LEU 18 N 1.28 0.98 -0.66 1.46 3.38 -0.35 -3.01 115.31 118.38 1xtu h LEU 18 Ca 0.37 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1xtu h LEU 18 Cb -0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1xtu h LEU 18 CO -0.10 1.06 0.06 0.03 0.09 0.00 0.00 178.44 179.58 1xtu h ARG 19 N 0.87 1.10 -5.50 1.13 3.08 -0.15 -3.43 114.38 111.48 1xtu h ARG 19 Ca 0.15 -0.32 -0.49 0.00 0.07 0.00 0.00 59.98 59.39 1xtu h ARG 19 Cb 0.58 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1xtu h ARG 19 CO 0.03 1.03 1.65 -3.47 -1.07 0.00 0.00 179.97 178.14 1xtu n ASP 20 N -4.19 1.81 0.30 7.04 2.03 -0.13 -4.77 116.55 118.64 1xtu n ASP 20 Ca 0.04 -0.22 0.11 0.00 0.52 0.00 0.00 54.79 55.23 1xtu n ASP 20 Cb 0.32 -1.38 0.59 0.00 -0.72 0.00 0.00 41.12 39.93 1xtu n ASP 20 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1xtu h LYS 21 N 16.85 0.00 -0.68 -0.67 2.10 -1.86 0.63 116.57 132.94 1xtu h LYS 21 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1xtu h LYS 21 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1xtu h LYS 21 CO 1.20 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 179.31 1xtu n TYR 22 N -2.66 0.51 -3.52 0.07 4.02 -1.26 -4.81 117.16 109.51 1xtu n TYR 22 Ca -0.01 -0.19 -0.39 0.00 -0.01 0.00 0.00 57.90 57.30 1xtu n TYR 22 Cb 0.48 -0.15 -0.10 0.00 -0.02 0.00 0.00 39.34 39.54 1xtu n TYR 22 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1xtu s THR 23 N -1.57 5.26 0.92 -0.72 2.01 0.21 -5.07 115.64 116.68 1xtu s THR 23 Ca 0.15 0.24 -0.11 0.00 0.31 0.00 0.00 61.69 62.29 1xtu s THR 23 Cb 0.11 -3.61 0.15 0.00 0.01 0.00 0.00 72.50 69.16 1xtu s THR 23 CO 0.06 0.19 1.11 1.51 -0.69 0.00 0.00 174.62 176.80 1xtu s ASP 24 N 1.72 3.03 0.33 3.53 3.84 -1.26 -4.69 116.67 123.18 1xtu s ASP 24 Ca 0.09 1.92 0.03 0.00 -0.00 0.00 0.00 52.55 54.59 1xtu s ASP 24 Cb -0.16 -2.46 0.64 0.00 -1.38 0.00 0.00 42.92 39.55 1xtu s ASP 24 CO 0.11 -2.99 1.93 0.06 -0.00 0.00 0.00 175.17 174.28 1xtu h GLN 25 N -1.79 0.87 0.30 2.11 3.07 -1.83 0.12 115.11 117.96 1xtu h GLN 25 Ca -0.47 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.20 1xtu h GLN 25 Cb 1.27 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 28.64 1xtu h GLN 25 CO 0.47 0.57 -0.15 0.82 0.09 0.00 0.00 178.83 180.64 1xtu h ILE 26 N 0.89 0.71 0.00 1.86 2.04 -1.86 -0.34 117.51 120.81 1xtu h ILE 26 Ca 0.36 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 66.14 1xtu h ILE 26 Cb 0.26 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1xtu h ILE 26 CO -0.13 0.01 -0.25 0.78 0.00 0.00 0.00 178.15 178.56 1xtu h ASN 27 N -0.42 0.00 0.30 1.72 2.35 -1.85 -1.24 115.58 116.43 1xtu h ASN 27 Ca -0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1xtu h ASN 27 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1xtu h ASN 27 CO 0.07 0.25 -0.14 0.15 -1.65 0.00 0.00 177.43 176.10 1xtu h PHE 28 N 0.00 -0.37 -0.22 1.19 3.57 -0.32 -1.78 116.94 119.00 1xtu h PHE 28 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xtu h PHE 28 Cb 0.75 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1xtu h PHE 28 CO 0.00 -0.12 0.15 0.00 -2.23 0.00 0.00 178.31 176.11 1xtu h ARG 29 N -0.58 0.29 -0.77 1.11 3.08 -0.82 -1.55 114.38 115.13 1xtu h ARG 29 Ca -0.04 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.09 1xtu h ARG 29 Cb 0.42 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 1xtu h ARG 29 CO 0.07 0.19 0.41 0.87 -1.07 0.00 0.00 179.97 180.44 1xtu h LYS 30 N 0.30 0.65 -0.46 0.04 1.57 -1.22 -0.21 116.57 117.24 1xtu h LYS 30 Ca 0.08 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1xtu h LYS 30 Cb -0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1xtu h LYS 30 CO -0.02 0.43 0.00 -0.91 -0.57 0.00 0.00 179.45 178.38 1xtu h ASN 31 N 0.67 0.72 -0.57 0.86 2.35 -0.88 -1.18 115.58 117.55 1xtu h ASN 31 Ca 0.39 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1xtu h ASN 31 Cb 0.42 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1xtu h ASN 31 CO -0.28 0.79 0.15 0.25 -1.65 0.00 0.00 177.43 176.69 1xtu h LEU 32 N 0.71 0.89 -0.16 1.61 5.85 -0.14 0.05 115.31 124.12 1xtu h LEU 32 Ca 0.14 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1xtu h LEU 32 Cb 0.43 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1xtu h LEU 32 CO 0.02 0.86 -0.13 0.58 -0.34 0.00 0.00 178.44 179.42 1xtu h VAL 33 N 0.91 1.34 -0.71 1.05 2.07 -0.69 -1.43 116.25 118.79 1xtu h VAL 33 Ca 0.20 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.52 1xtu h VAL 33 Cb 0.32 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 1xtu h VAL 33 CO -0.00 0.37 0.40 -0.09 0.02 0.00 0.00 177.57 178.28 1xtu h ARG 34 N 0.01 0.71 -0.24 1.57 2.43 -0.94 -1.27 114.38 116.65 1xtu h ARG 34 Ca 0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1xtu h ARG 34 Cb 0.65 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1xtu h ARG 34 CO 0.03 0.47 0.07 -0.07 -1.51 0.00 0.00 179.97 178.96 1xtu h LEU 35 N 0.73 0.36 -0.70 3.80 3.38 -0.93 -2.46 115.31 119.50 1xtu h LEU 35 Ca 0.32 -0.22 0.15 0.00 0.09 0.00 0.00 57.88 58.23 1xtu h LEU 35 Cb 0.21 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.75 1xtu h LEU 35 CO -0.19 0.48 0.07 1.23 0.09 0.00 0.00 178.44 180.13 1xtu h GLY 36 N 0.22 0.85 0.86 0.83 0.00 -0.25 0.37 103.07 105.96 1xtu h GLY 36 Ca 0.08 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.47 1xtu h GLY 36 CO -0.00 -0.22 0.22 3.21 0.00 0.00 0.00 176.54 179.75 1xtu h ARG 37 N 0.17 0.44 0.16 4.80 3.08 -1.04 0.04 114.38 122.03 1xtu h ARG 37 Ca 0.38 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1xtu h ARG 37 Cb 0.65 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1xtu h ARG 37 CO -0.55 0.29 -0.08 0.82 -1.07 0.00 0.00 179.97 179.38 1xtu h ILE 38 N 0.45 0.95 -0.53 2.04 2.04 -0.53 -1.57 117.51 120.36 1xtu h ILE 38 Ca 0.17 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.62 1xtu h ILE 38 Cb 0.04 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1xtu h ILE 38 CO -0.09 0.11 0.36 -0.07 0.00 0.00 0.00 178.15 178.46 1xtu h LEU 39 N -0.45 0.33 0.16 1.44 3.38 -0.26 0.63 115.31 120.54 1xtu h LEU 39 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xtu h LEU 39 Cb 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xtu h LEU 39 CO 0.04 0.21 -0.08 1.23 0.09 0.00 0.00 178.44 179.93 1xtu h GLY 40 N 0.37 -0.22 0.05 0.83 0.00 -0.64 0.51 103.07 103.97 1xtu h GLY 40 Ca 0.24 0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.76 1xtu h GLY 40 CO -0.06 -0.08 -0.06 -1.82 0.00 0.00 0.00 176.54 174.52 1xtu h TYR 41 N -0.32 -0.15 -0.30 5.60 3.20 -0.06 0.17 116.97 125.11 1xtu h TYR 41 Ca -0.02 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1xtu h TYR 41 Cb 0.25 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1xtu h TYR 41 CO -0.03 -0.17 0.08 0.93 -1.64 0.00 0.00 178.16 177.33 1xtu h GLU 42 N 0.06 0.20 -0.74 1.82 4.39 -0.57 -1.90 114.58 117.84 1xtu h GLU 42 Ca 0.26 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1xtu h GLU 42 Cb 0.40 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1xtu h GLU 42 CO -0.48 0.13 0.47 0.82 -1.16 0.00 0.00 179.01 178.78 1xtu h ILE 43 N 0.21 1.20 -0.78 3.13 2.04 0.13 -2.67 117.51 120.77 1xtu h ILE 43 Ca 0.14 -0.41 0.18 0.00 1.00 0.00 0.00 64.86 65.77 1xtu h ILE 43 Cb 0.13 0.15 -0.13 0.00 -0.74 0.00 0.00 36.82 36.22 1xtu h ILE 43 CO -0.16 0.20 0.03 0.28 0.00 0.00 0.00 178.15 178.50 1xtu h SER 44 N 1.00 -0.32 0.37 1.72 0.02 0.12 0.36 113.55 116.82 1xtu h SER 44 Ca 0.27 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1xtu h SER 44 Cb -0.07 0.34 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1xtu h SER 44 CO -0.05 -0.18 0.00 0.59 -1.14 0.00 0.00 176.83 176.04 1xtu n ASN 45 N -5.34 0.00 0.00 3.07 3.02 -1.01 -1.47 115.26 113.54 1xtu n ASN 45 Ca 0.15 0.33 0.11 0.00 -0.03 0.00 0.00 54.58 55.13 1xtu n ASN 45 Cb 0.50 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 39.17 1xtu n ASN 45 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1xtu n THR 46 N -1.41 0.04 -1.59 3.41 -2.24 0.12 -4.97 114.28 107.64 1xtu n THR 46 Ca 0.05 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1xtu n THR 46 Cb 0.13 0.48 0.08 0.00 -2.10 0.00 0.00 70.33 68.92 1xtu n THR 46 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xtu n LEU 47 N -1.86 5.24 -4.74 3.22 4.77 -0.54 -4.94 117.00 118.14 1xtu n LEU 47 Ca 0.01 0.78 -0.41 0.00 -0.03 0.00 0.00 56.01 56.36 1xtu n LEU 47 Cb 0.43 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 39.98 1xtu n LEU 47 CO 0.43 -1.33 0.89 -0.62 -1.33 0.00 0.00 177.39 175.43 1xtu s ASP 48 N -1.48 7.07 0.20 -1.43 -1.08 -1.26 -5.02 116.67 113.66 1xtu s ASP 48 Ca 0.80 2.29 -0.03 0.00 -0.52 0.00 0.00 52.55 55.09 1xtu s ASP 48 Cb -0.37 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.44 1xtu s ASP 48 CO 0.43 -0.36 0.18 -0.72 0.52 0.00 0.00 175.17 175.22 1xtu s TYR 49 N -0.31 0.98 0.17 -5.34 -0.85 -1.26 -4.25 117.35 106.49 1xtu s TYR 49 Ca 0.51 -1.25 0.11 0.00 -0.52 0.00 0.00 57.07 55.92 1xtu s TYR 49 Cb -0.33 -0.43 -0.04 0.00 0.38 0.00 0.00 41.96 41.54 1xtu s TYR 49 CO 0.39 -0.68 -0.22 -1.21 -1.52 0.00 0.00 175.55 172.31 1xtu s GLU 50 N -4.12 1.61 -0.03 -3.49 0.41 -0.91 -5.00 118.70 107.17 1xtu s GLU 50 Ca 0.34 -1.41 -0.14 0.00 -0.41 0.00 0.00 54.97 53.34 1xtu s GLU 50 Cb 0.06 -1.93 -0.05 0.00 -1.78 0.00 0.00 34.13 30.42 1xtu s GLU 50 CO 0.10 0.42 0.39 0.42 -0.49 0.00 0.00 175.26 176.10 1xtu s ILE 51 N -1.50 5.10 0.35 -1.63 1.01 -1.26 -1.87 121.20 121.39 1xtu s ILE 51 Ca 0.20 0.79 0.05 0.00 0.00 0.00 0.00 60.65 61.69 1xtu s ILE 51 Cb -0.09 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1xtu s ILE 51 CO 0.10 0.54 0.20 0.68 0.00 0.00 0.00 174.94 176.46 1xtu s VAL 52 N -0.78 0.26 0.20 2.92 -7.23 0.53 -4.95 120.40 111.35 1xtu s VAL 52 Ca 0.23 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.51 1xtu s VAL 52 Cb -0.16 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1xtu s VAL 52 CO 0.12 0.00 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.99 1xtu s GLU 53 N -3.62 1.60 -0.05 4.82 2.12 -1.26 -0.12 118.70 122.18 1xtu s GLU 53 Ca 0.34 -1.52 -0.15 0.00 0.36 0.00 0.00 54.97 53.99 1xtu s GLU 53 Cb 0.03 -1.87 0.03 0.00 0.26 0.00 0.00 34.13 32.57 1xtu s GLU 53 CO 0.21 0.40 0.34 0.54 -0.54 0.00 0.00 175.26 176.21 1xtu s VAL 54 N -1.76 0.04 -0.12 3.70 0.11 0.23 -4.80 120.40 117.79 1xtu s VAL 54 Ca 0.22 -0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 1xtu s VAL 54 Cb -0.08 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1xtu s VAL 54 CO 0.11 -0.17 0.06 -0.70 -3.33 0.00 0.00 175.10 171.06 1xtu s GLU 55 N -0.87 3.36 0.31 1.54 2.12 -1.26 -0.02 118.70 123.88 1xtu s GLU 55 Ca -0.09 -0.31 0.06 0.00 0.36 0.00 0.00 54.97 54.99 1xtu s GLU 55 Cb -0.04 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 1xtu s GLU 55 CO 0.03 0.62 0.42 0.95 -0.54 0.00 0.00 175.26 176.75 1xtu s THR 56 N -0.62 4.36 0.66 -1.70 -4.23 0.27 -4.95 115.64 109.42 1xtu s THR 56 Ca 0.11 -1.03 0.28 0.00 -1.18 0.00 0.00 61.69 59.88 1xtu s THR 56 Cb -0.12 -3.51 0.30 0.00 1.34 0.00 0.00 72.50 70.51 1xtu s THR 56 CO 0.02 -0.21 1.88 -0.65 -0.54 0.00 0.00 174.62 175.12 1xtu h PRO 57 N 1.01 0.00 -0.39 3.99 0.11 -1.99 0.24 132.00 134.96 1xtu h PRO 57 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xtu h PRO 57 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xtu h PRO 57 CO 0.55 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.62 1xtu n LEU 58 N -2.98 0.61 -1.55 2.35 4.77 -1.26 -4.85 117.00 114.09 1xtu n LEU 58 Ca -0.01 -0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 55.50 1xtu n LEU 58 Cb 0.44 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1xtu n LEU 58 CO 0.15 0.14 -0.18 0.61 -1.33 0.00 0.00 177.39 176.77 1xtu n GLY 59 N 0.37 0.78 3.47 -0.72 0.00 0.84 -5.00 105.19 104.93 1xtu n GLY 59 Ca 0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1xtu n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xtu s VAL 60 N -2.71 2.60 -0.03 1.61 -7.23 -1.24 -4.93 120.40 108.48 1xtu s VAL 60 Ca 0.00 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1xtu s VAL 60 Cb 0.00 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1xtu s VAL 60 CO 0.00 -0.16 -0.00 -0.54 -0.31 0.00 0.00 175.10 174.09 1xtu s LYS 61 N -2.84 2.84 0.04 4.82 1.02 -1.26 -0.57 119.74 123.79 1xtu s LYS 61 Ca 0.23 -0.55 -0.07 0.00 0.02 0.00 0.00 55.97 55.60 1xtu s LYS 61 Cb -0.08 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1xtu s LYS 61 CO 0.12 0.65 0.14 -0.08 -0.92 0.00 0.00 175.35 175.26 1xtu s THR 62 N -1.01 0.13 0.42 2.17 -1.32 0.97 -4.95 115.64 112.05 1xtu s THR 62 Ca 0.17 -1.05 -0.15 0.00 -1.21 0.00 0.00 61.69 59.45 1xtu s THR 62 Cb -0.11 -0.96 -0.08 0.00 -1.51 0.00 0.00 72.50 69.83 1xtu s THR 62 CO 0.08 -0.58 0.86 -0.54 -2.21 0.00 0.00 174.62 172.22 1xtu s LYS 63 N -2.74 3.97 0.26 7.08 1.02 -1.26 0.74 119.74 128.81 1xtu s LYS 63 Ca -0.04 0.79 -0.02 0.00 0.02 0.00 0.00 55.97 56.71 1xtu s LYS 63 Cb -0.00 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1xtu s LYS 63 CO -0.05 -0.05 0.38 0.41 -0.92 0.00 0.00 175.35 175.12 1xtu n GLY 64 N -1.00 2.27 3.50 -3.33 0.00 0.82 -4.83 105.19 102.62 1xtu n GLY 64 Ca 0.05 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 1xtu n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xtu s VAL 65 N -2.67 2.85 -0.23 1.61 1.01 -1.26 -0.35 120.40 121.36 1xtu s VAL 65 Ca 0.20 -1.65 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 1xtu s VAL 65 Cb -0.01 -2.35 0.10 0.00 0.00 0.00 0.00 36.38 34.12 1xtu s VAL 65 CO 0.14 -0.01 0.23 -0.62 0.00 0.00 0.00 175.10 174.85 1xtu s ASP 66 N -2.45 1.54 -1.23 3.32 3.68 -0.78 -4.89 116.67 115.86 1xtu s ASP 66 Ca 0.20 -0.38 -0.14 0.00 2.13 0.00 0.00 52.55 54.36 1xtu s ASP 66 Cb -0.09 0.38 0.15 0.00 -1.45 0.00 0.00 42.92 41.91 1xtu s ASP 66 CO 0.12 -0.35 1.52 -0.38 0.13 0.00 0.00 175.17 176.21 1xtu n ILE 67 N 5.31 4.19 0.09 4.11 5.41 -1.26 -2.14 119.36 135.08 1xtu n ILE 67 Ca -0.05 -4.58 0.11 0.00 1.00 0.00 0.00 62.75 59.23 1xtu n ILE 67 Cb 0.48 -2.44 0.60 0.00 -0.71 0.00 0.00 39.64 37.57 1xtu n ILE 67 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1xtu h THR 68 N 4.80 0.93 0.00 1.39 1.35 -1.94 -0.73 112.91 118.71 1xtu h THR 68 Ca 0.35 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1xtu h THR 68 Cb 0.86 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1xtu h THR 68 CO 1.30 0.03 0.14 0.47 -0.25 0.00 0.00 175.52 177.21 1xtu n ASP 69 N -4.48 0.38 0.00 5.36 8.00 -1.26 -1.29 116.55 123.27 1xtu n ASP 69 Ca 0.03 0.62 0.02 0.00 0.71 0.00 0.00 54.79 56.18 1xtu n ASP 69 Cb 0.27 -0.63 0.10 0.00 -0.02 0.00 0.00 41.12 40.84 1xtu n ASP 69 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xtu n LEU 70 N -2.04 0.00 -0.35 0.64 4.77 -0.28 0.22 117.00 119.95 1xtu n LEU 70 Ca -0.01 0.39 0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1xtu n LEU 70 Cb 0.16 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1xtu n LEU 70 CO 0.07 -0.34 0.23 0.59 -1.33 0.00 0.00 177.39 176.61 1xtu n ASN 71 N -1.39 1.64 -2.89 -1.43 3.02 -0.41 -4.53 115.26 109.27 1xtu n ASN 71 Ca 0.02 -1.32 -0.29 0.00 -0.03 0.00 0.00 54.58 52.96 1xtu n ASN 71 Cb 0.04 0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 1xtu n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xtu n ASN 72 N -0.28 4.91 -4.16 6.41 3.02 0.13 -4.96 115.26 120.33 1xtu n ASN 72 Ca 0.07 -3.70 -0.28 0.00 -0.03 0.00 0.00 54.58 50.64 1xtu n ASN 72 Cb 0.37 -0.61 -0.16 0.00 -0.61 0.00 0.00 39.78 38.77 1xtu n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xtu s ILE 73 N -4.74 1.62 -0.13 2.41 1.01 -1.25 0.21 121.20 120.32 1xtu s ILE 73 Ca 0.48 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 1xtu s ILE 73 Cb 0.31 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 41.41 1xtu s ILE 73 CO -0.16 0.46 -0.07 -0.69 0.00 0.00 0.00 174.94 174.48 1xtu s VAL 74 N 0.13 1.10 -0.20 2.92 1.01 -0.83 -1.08 120.40 123.44 1xtu s VAL 74 Ca -0.08 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1xtu s VAL 74 Cb -0.14 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1xtu s VAL 74 CO 0.04 0.30 0.12 -0.63 0.00 0.00 0.00 175.10 174.93 1xtu s ILE 75 N 1.67 5.28 -0.24 2.22 1.01 0.37 -0.83 121.20 130.67 1xtu s ILE 75 Ca 0.04 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.75 1xtu s ILE 75 Cb -0.13 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1xtu s ILE 75 CO -0.08 0.43 0.10 -0.63 0.00 0.00 0.00 174.94 174.76 1xtu s ILE 76 N 0.48 4.71 -0.37 2.92 1.01 0.19 -1.52 121.20 128.62 1xtu s ILE 76 Ca 0.07 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1xtu s ILE 76 Cb -0.12 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1xtu s ILE 76 CO -0.01 0.34 0.51 0.21 0.00 0.00 0.00 174.94 175.99 1xtu s ASN 77 N 1.39 6.29 0.07 3.58 3.84 -0.05 -3.22 114.94 126.83 1xtu s ASN 77 Ca 0.06 -0.19 0.23 0.00 0.21 0.00 0.00 52.86 53.17 1xtu s ASN 77 Cb -0.15 -2.26 0.92 0.00 -0.55 0.00 0.00 41.25 39.21 1xtu s ASN 77 CO 0.05 -0.52 1.71 -0.38 -2.79 0.00 0.00 177.10 175.17 1xtu n ILE 78 N 5.47 0.56 -2.03 -5.21 5.41 -1.26 -1.64 119.36 120.67 1xtu n ILE 78 Ca -0.05 0.08 0.01 0.00 1.00 0.00 0.00 62.75 63.79 1xtu n ILE 78 Cb 0.49 -0.78 -0.00 0.00 -0.71 0.00 0.00 39.64 38.63 1xtu n ILE 78 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1xtu n LEU 79 N -1.73 0.00 0.00 1.39 4.77 -1.26 -3.60 117.00 116.57 1xtu n LEU 79 Ca 0.05 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1xtu n LEU 79 Cb 0.28 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1xtu n LEU 79 CO 0.22 -0.21 0.00 0.54 -1.33 0.00 0.00 177.39 176.61 1xtu n ARG 80 N -0.77 0.00 0.24 3.23 1.74 -1.26 -1.78 116.66 118.05 1xtu n ARG 80 Ca 0.00 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.26 1xtu n ARG 80 Cb 0.03 0.00 0.88 0.00 -1.02 0.00 0.00 32.46 32.35 1xtu n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xtu h ALA 81 N -0.83 1.63 0.00 7.54 0.00 -1.92 -1.96 119.26 123.71 1xtu h ALA 81 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xtu h ALA 81 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xtu h ALA 81 CO 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 179.25 178.67 1xtu h ALA 82 N 1.71 1.28 -0.67 0.00 0.00 -1.68 -3.32 119.26 116.58 1xtu h ALA 82 Ca 0.07 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1xtu h ALA 82 Cb 0.49 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 1xtu h ALA 82 CO -0.00 0.37 -0.51 0.28 0.00 0.00 0.00 179.25 179.38 1xtu h VAL 83 N 0.00 0.03 -0.76 0.00 2.07 -1.50 0.29 116.25 116.37 1xtu h VAL 83 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1xtu h VAL 83 Cb 0.61 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1xtu h VAL 83 CO 0.04 0.00 0.50 -0.65 0.02 0.00 0.00 177.57 177.48 1xtu h PRO 84 N -0.21 0.89 -0.31 1.57 0.11 -1.80 0.12 132.00 132.36 1xtu h PRO 84 Ca 0.15 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 1xtu h PRO 84 Cb 0.54 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1xtu h PRO 84 CO -0.75 0.59 -0.08 1.25 -0.21 0.00 0.00 178.00 178.80 1xtu h LEU 85 N 0.92 0.62 -0.86 2.35 5.85 -1.31 -2.39 115.31 120.49 1xtu h LEU 85 Ca 0.31 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1xtu h LEU 85 Cb 0.07 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1xtu h LEU 85 CO -0.09 0.84 0.25 0.58 -0.34 0.00 0.00 178.44 179.68 1xtu h VAL 86 N 0.38 1.25 -0.80 1.05 2.07 0.09 -1.21 116.25 119.09 1xtu h VAL 86 Ca 0.08 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.84 1xtu h VAL 86 Cb 0.57 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1xtu h VAL 86 CO 0.03 0.33 0.46 -0.08 0.02 0.00 0.00 177.57 178.34 1xtu h GLU 87 N 1.06 0.77 -0.36 1.57 4.57 -0.59 0.36 114.58 121.96 1xtu h GLU 87 Ca 0.24 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1xtu h GLU 87 Cb 0.26 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1xtu h GLU 87 CO -0.01 0.51 0.02 0.78 -1.18 0.00 0.00 179.01 179.13 1xtu h GLY 88 N 0.80 0.67 0.98 1.92 0.00 -0.86 -2.18 103.07 104.40 1xtu h GLY 88 Ca 0.38 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.23 1xtu h GLY 88 CO -0.23 0.44 0.30 1.41 0.00 0.00 0.00 176.54 178.46 1xtu h LEU 89 N 0.44 0.51 -1.10 3.11 3.38 -0.09 -2.35 115.31 119.21 1xtu h LEU 89 Ca 0.10 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1xtu h LEU 89 Cb 0.43 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1xtu h LEU 89 CO 0.01 0.37 0.61 -0.07 0.09 0.00 0.00 178.44 179.45 1xtu h LEU 90 N 0.60 1.00 -1.89 1.67 3.38 -0.19 0.13 115.31 120.02 1xtu h LEU 90 Ca 0.17 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1xtu h LEU 90 Cb -0.06 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1xtu h LEU 90 CO -0.04 0.68 -0.13 0.11 0.09 0.00 0.00 178.44 179.15 1xtu h LYS 91 N 1.16 0.00 0.12 1.13 1.79 -0.89 -2.19 116.57 117.68 1xtu h LYS 91 Ca 0.38 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.56 1xtu h LYS 91 Cb 0.04 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1xtu h LYS 91 CO -0.12 0.13 -1.23 0.00 -1.08 0.00 0.00 179.45 177.15 1xtu h ALA 92 N 1.87 0.04 -2.68 3.86 0.00 -0.40 -3.38 119.26 118.57 1xtu h ALA 92 Ca -0.00 -0.78 -0.66 0.00 0.00 0.00 0.00 54.91 53.46 1xtu h ALA 92 Cb 0.29 0.09 -0.39 0.00 0.00 0.00 0.00 17.79 17.78 1xtu h ALA 92 CO 0.02 0.74 -0.30 1.19 0.00 0.00 0.00 179.25 180.90 1xtu n PHE 93 N -3.75 3.62 -0.34 0.00 3.01 -0.17 -4.93 117.46 114.90 1xtu n PHE 93 Ca -0.12 -4.07 0.23 0.00 1.01 0.00 0.00 57.45 54.50 1xtu n PHE 93 Cb 0.98 -0.84 0.47 0.00 -0.01 0.00 0.00 39.48 40.08 1xtu n PHE 93 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xtu h PRO 94 N 5.28 0.37 -0.71 -1.08 0.11 -1.72 -0.05 132.00 134.20 1xtu h PRO 94 Ca 0.17 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1xtu h PRO 94 Cb 0.74 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1xtu h PRO 94 CO 0.85 0.24 0.01 1.63 -0.21 0.00 0.00 178.00 180.53 1xtu n LYS 95 N -4.94 3.79 -3.09 1.05 5.02 -1.26 -4.96 118.16 113.78 1xtu n LYS 95 Ca 0.30 -2.28 -0.37 0.00 -2.02 0.00 0.00 58.31 53.94 1xtu n LYS 95 Cb 0.95 -2.06 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 1xtu n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xtu s ALA 96 N -2.28 3.43 0.41 7.82 0.00 -0.03 -4.73 121.76 126.38 1xtu s ALA 96 Ca 0.40 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1xtu s ALA 96 Cb 0.30 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1xtu s ALA 96 CO 0.11 0.32 0.66 1.03 0.00 0.00 0.00 175.76 177.88 1xtu s ARG 97 N -1.79 3.41 -0.01 0.00 0.52 -0.24 -4.91 118.95 115.92 1xtu s ARG 97 Ca 0.41 -0.19 0.01 0.00 -0.52 0.00 0.00 55.73 55.45 1xtu s ARG 97 Cb -0.18 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1xtu s ARG 97 CO 0.22 -0.06 -0.04 -1.14 0.02 0.00 0.00 175.30 174.29 1xtu s GLN 98 N -4.51 0.42 0.27 3.54 0.74 -1.26 -0.48 119.66 118.37 1xtu s GLN 98 Ca 0.44 -0.15 0.05 0.00 0.05 0.00 0.00 55.36 55.75 1xtu s GLN 98 Cb -0.10 -0.42 -0.06 0.00 1.10 0.00 0.00 33.01 33.53 1xtu s GLN 98 CO 0.39 0.07 -0.01 0.20 -0.55 0.00 0.00 175.29 175.39 1xtu s GLY 99 N 0.07 1.75 -0.02 2.59 0.00 -0.58 -4.56 107.32 106.57 1xtu s GLY 99 Ca -0.00 -1.87 0.02 0.00 0.00 0.00 0.00 44.72 42.86 1xtu s GLY 99 CO -0.00 -1.76 -0.05 -1.34 0.00 0.00 0.00 173.10 169.95 1xtu s VAL 100 N -3.24 0.47 -0.44 1.40 -7.23 0.26 -0.87 120.40 110.74 1xtu s VAL 100 Ca 0.30 -0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 1xtu s VAL 100 Cb 0.05 -0.43 0.14 0.00 0.56 0.00 0.00 36.38 36.70 1xtu s VAL 100 CO 0.11 0.16 0.25 -0.63 -0.31 0.00 0.00 175.10 174.68 1xtu s ILE 101 N 0.25 1.41 -0.43 -0.62 1.01 -0.65 -1.24 121.20 120.94 1xtu s ILE 101 Ca -0.03 -2.60 -0.28 0.00 0.00 0.00 0.00 60.65 57.75 1xtu s ILE 101 Cb -0.07 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 1xtu s ILE 101 CO -0.00 -0.90 1.85 -0.83 0.00 0.00 0.00 174.94 175.06 1xtu s GLY 102 N 0.31 0.53 0.01 6.18 0.00 0.15 -4.31 107.32 110.19 1xtu s GLY 102 Ca 0.18 -0.04 0.07 0.00 0.00 0.00 0.00 44.72 44.93 1xtu s GLY 102 CO -0.01 3.37 -0.22 0.00 0.00 0.00 0.00 173.10 176.24 1xtu s ALA 103 N 7.89 1.83 -0.08 3.20 0.00 -1.24 0.13 121.76 133.50 1xtu s ALA 103 Ca 0.77 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 1xtu s ALA 103 Cb -0.19 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.56 1xtu s ALA 103 CO 0.29 0.43 0.13 -1.12 0.00 0.00 0.00 175.76 175.50 1xtu s SER 104 N -0.84 0.92 0.65 0.00 0.01 -0.53 -4.93 113.70 108.98 1xtu s SER 104 Ca 0.08 0.23 -0.13 0.00 1.31 0.00 0.00 55.95 57.44 1xtu s SER 104 Cb -0.09 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 1xtu s SER 104 CO 0.00 -0.25 1.06 0.00 0.41 0.00 0.00 173.24 174.47 1xtu s ARG 105 N 2.26 3.08 -0.30 12.44 1.70 -1.26 -2.28 118.95 134.58 1xtu s ARG 105 Ca 0.04 1.11 -0.21 0.00 -0.47 0.00 0.00 55.73 56.20 1xtu s ARG 105 Cb -0.12 -2.00 -0.01 0.00 -0.57 0.00 0.00 34.95 32.25 1xtu s ARG 105 CO -0.05 -0.99 0.66 0.08 -1.08 0.00 0.00 175.30 173.92 1xtu s VAL 106 N -2.72 4.91 -0.06 4.99 1.01 0.34 -4.92 120.40 123.95 1xtu s VAL 106 Ca 0.61 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 1xtu s VAL 106 Cb -0.15 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1xtu s VAL 106 CO 0.46 -0.16 1.50 -1.61 0.00 0.00 0.00 175.10 175.29 1xtu s GLU 107 N 2.67 4.22 0.02 2.72 0.41 -1.26 -4.53 118.70 122.96 1xtu s GLU 107 Ca 0.27 2.02 -0.01 0.00 -0.41 0.00 0.00 54.97 56.83 1xtu s GLU 107 Cb -0.15 -3.81 -0.02 0.00 -1.78 0.00 0.00 34.13 28.37 1xtu s GLU 107 CO 0.12 -0.74 -0.00 0.14 -0.49 0.00 0.00 175.26 174.29 1xtu s VAL 108 N 3.43 0.12 -0.40 2.63 -7.23 -1.26 -5.13 120.40 112.56 1xtu s VAL 108 Ca 0.67 -0.95 -0.09 0.00 -1.81 0.00 0.00 61.98 59.79 1xtu s VAL 108 Cb -0.30 -0.40 0.06 0.00 0.56 0.00 0.00 36.38 36.30 1xtu s VAL 108 CO 0.25 -0.52 0.23 -0.62 -0.31 0.00 0.00 175.10 174.13 1xtu s ASP 109 N -1.58 5.63 0.47 4.85 -1.08 -1.26 -4.46 116.67 119.24 1xtu s ASP 109 Ca -0.14 -1.35 0.08 0.00 -0.52 0.00 0.00 52.55 50.62 1xtu s ASP 109 Cb -0.08 -1.99 0.02 0.00 -1.46 0.00 0.00 42.92 39.42 1xtu s ASP 109 CO -0.01 -0.48 0.56 -0.83 0.52 0.00 0.00 175.17 174.92 1xtu s GLY 110 N 1.92 1.98 0.03 2.66 0.00 -0.95 -5.00 107.32 107.97 1xtu s GLY 110 Ca 0.02 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.72 1xtu s GLY 110 CO 0.03 -1.64 1.36 0.50 0.00 0.00 0.00 173.10 173.35 1xtu h LYS 111 N 0.64 0.28 0.00 2.90 1.57 -1.99 -3.44 116.57 116.53 1xtu h LYS 111 Ca -0.37 -0.14 -0.37 0.00 -1.87 0.00 0.00 60.65 57.90 1xtu h LYS 111 Cb 1.28 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xtu h LYS 111 CO 0.48 0.65 -0.11 0.39 -0.57 0.00 0.00 179.45 180.30 1xtu n GLU 112 N -4.64 0.81 -2.46 3.15 1.02 -1.26 -4.89 120.64 112.37 1xtu n GLU 112 Ca -0.06 -2.30 -0.43 0.00 -0.02 0.00 0.00 57.16 54.35 1xtu n GLU 112 Cb 0.32 0.02 -0.02 0.00 -0.02 0.00 0.00 31.44 31.73 1xtu n GLU 112 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xtu s VAL 113 N -1.71 4.28 0.72 2.62 1.01 -1.26 -4.37 120.40 121.70 1xtu s VAL 113 Ca 0.34 1.59 -0.16 0.00 0.00 0.00 0.00 61.98 63.75 1xtu s VAL 113 Cb -0.03 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.36 1xtu s VAL 113 CO 0.21 -0.05 1.20 -2.65 0.00 0.00 0.00 175.10 173.81 1xtu n PRO 114 N 5.64 0.66 -0.00 2.72 -0.02 -1.26 -4.94 135.00 137.79 1xtu n PRO 114 Ca 0.12 0.29 0.01 0.00 -2.02 0.00 0.00 63.50 61.90 1xtu n PRO 114 Cb 0.46 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1xtu n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xtu n LYS 115 N -2.40 2.44 -3.58 -0.52 5.02 -1.26 -4.94 118.16 112.93 1xtu n LYS 115 Ca 0.15 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 1xtu n LYS 115 Cb 0.49 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.54 1xtu n LYS 115 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1xtu s ASP 116 N -1.92 -0.53 0.41 4.39 -4.77 -1.26 -4.90 116.67 108.09 1xtu s ASP 116 Ca -0.00 0.74 0.06 0.00 -3.30 0.00 0.00 52.55 50.05 1xtu s ASP 116 Cb 0.02 0.65 -0.07 0.00 -1.09 0.00 0.00 42.92 42.42 1xtu s ASP 116 CO 0.12 -0.39 0.01 -0.04 0.70 0.00 0.00 175.17 175.58 1xtu s MET 117 N -0.69 1.96 -0.19 2.11 -1.94 -1.26 -5.09 119.30 114.19 1xtu s MET 117 Ca -0.04 -2.12 -0.11 0.00 -1.71 0.00 0.00 55.69 51.71 1xtu s MET 117 Cb -0.02 -1.58 -0.05 0.00 2.01 0.00 0.00 34.83 35.19 1xtu s MET 117 CO 0.03 -0.08 0.19 0.34 -0.01 0.00 0.00 175.02 175.49 1xtu s ASP 118 N -3.71 6.27 -0.01 3.03 3.68 -1.26 -4.89 116.67 119.78 1xtu s ASP 118 Ca 0.33 0.31 0.08 0.00 2.13 0.00 0.00 52.55 55.40 1xtu s ASP 118 Cb 0.09 -2.12 -0.02 0.00 -1.45 0.00 0.00 42.92 39.42 1xtu s ASP 118 CO 0.17 0.13 -0.26 -0.69 0.13 0.00 0.00 175.17 174.66 1xtu s VAL 119 N 0.51 2.02 -0.00 1.11 1.01 -1.26 0.13 120.40 123.91 1xtu s VAL 119 Ca 0.11 -1.12 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1xtu s VAL 119 Cb -0.12 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1xtu s VAL 119 CO 0.01 0.55 -0.18 -0.31 0.00 0.00 0.00 175.10 175.16 1xtu s TYR 120 N -0.62 1.62 -0.44 5.22 1.51 -0.97 -4.92 117.35 118.75 1xtu s TYR 120 Ca 0.10 -0.32 -0.19 0.00 -1.01 0.00 0.00 57.07 55.65 1xtu s TYR 120 Cb -0.10 -1.02 0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1xtu s TYR 120 CO -0.01 -0.00 0.53 0.42 -1.11 0.00 0.00 175.55 175.38 1xtu s ILE 121 N -0.51 4.97 -0.07 2.71 -1.09 -1.26 -1.45 121.20 124.50 1xtu s ILE 121 Ca 0.07 -0.20 0.14 0.00 -2.23 0.00 0.00 60.65 58.43 1xtu s ILE 121 Cb -0.07 -4.13 -0.17 0.00 -1.58 0.00 0.00 42.46 36.50 1xtu s ILE 121 CO -0.00 -0.53 0.82 0.10 -1.23 0.00 0.00 174.94 174.10 1xtu h TYR 122 N 8.81 0.00 -3.16 3.97 -0.00 -0.70 -3.47 116.97 122.42 1xtu h TYR 122 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.28 1xtu h TYR 122 Cb 1.10 0.00 -0.28 0.00 0.00 0.00 0.00 36.73 37.55 1xtu h TYR 122 CO 0.67 0.79 -0.49 -0.47 -0.00 0.00 0.00 178.16 178.67 1xtu s TYR 123 N -2.77 -0.26 -0.03 0.10 5.04 -1.19 -4.99 117.35 113.27 1xtu s TYR 123 Ca -0.03 0.63 -0.01 0.00 -2.44 0.00 0.00 57.07 55.22 1xtu s TYR 123 Cb 0.08 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.47 1xtu s TYR 123 CO 0.81 -0.16 0.04 0.21 -1.34 0.00 0.00 175.55 175.12 1xtu s LYS 124 N 0.61 -0.06 -0.29 4.97 2.20 -1.26 0.32 119.74 126.23 1xtu s LYS 124 Ca -0.04 0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 1xtu s LYS 124 Cb -0.06 -0.36 0.18 0.00 -1.51 0.00 0.00 37.83 36.09 1xtu s LYS 124 CO -0.03 -0.24 0.52 0.21 -0.36 0.00 0.00 175.35 175.45 1xtu s LYS 125 N 1.54 0.50 0.14 4.03 2.47 -0.37 -5.01 119.74 123.04 1xtu s LYS 125 Ca -0.03 0.56 0.08 0.00 -1.56 0.00 0.00 55.97 55.02 1xtu s LYS 125 Cb -0.13 0.09 -0.04 0.00 -1.46 0.00 0.00 37.83 36.30 1xtu s LYS 125 CO -0.03 -0.88 -0.19 0.96 0.16 0.00 0.00 175.35 175.38 1xtu s ILE 126 N 2.73 1.73 0.31 5.43 -4.36 -1.26 -0.57 121.20 125.20 1xtu s ILE 126 Ca 0.13 -1.77 -0.05 0.00 -0.26 0.00 0.00 60.65 58.69 1xtu s ILE 126 Cb -0.13 -1.71 0.08 0.00 1.25 0.00 0.00 42.46 41.95 1xtu s ILE 126 CO -0.24 -0.24 0.30 -2.65 0.24 0.00 0.00 174.94 172.35 1xtu n PRO 127 N 0.57 -1.30 -3.26 0.37 -0.02 -1.26 -4.94 135.00 125.16 1xtu n PRO 127 Ca -0.15 -0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 60.42 1xtu n PRO 127 Cb 0.56 -0.42 -0.08 0.00 -0.02 0.00 0.00 33.50 33.54 1xtu n PRO 127 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xtu s ASP 128 N -2.29 6.23 -0.65 2.55 1.01 -1.26 -4.99 116.67 117.28 1xtu s ASP 128 Ca 0.19 -0.54 -0.27 0.00 0.71 0.00 0.00 52.55 52.64 1xtu s ASP 128 Cb -0.02 -2.25 0.02 0.00 1.01 0.00 0.00 42.92 41.68 1xtu s ASP 128 CO 0.14 -0.62 1.42 -0.63 0.21 0.00 0.00 175.17 175.69 1xtu s ILE 129 N 2.32 3.70 -0.48 0.77 1.01 -1.26 -4.95 121.20 122.31 1xtu s ILE 129 Ca 0.15 0.49 -0.27 0.00 0.00 0.00 0.00 60.65 61.01 1xtu s ILE 129 Cb -0.16 -4.59 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 1xtu s ILE 129 CO 0.15 -1.45 1.81 -0.13 0.00 0.00 0.00 174.94 175.32 1xtu s ARG 130 N 5.84 2.99 0.43 2.79 0.52 -1.26 -4.89 118.95 125.36 1xtu s ARG 130 Ca 0.46 1.00 -0.23 0.00 -0.52 0.00 0.00 55.73 56.44 1xtu s ARG 130 Cb -0.10 -4.28 -0.12 0.00 0.52 0.00 0.00 34.95 30.97 1xtu s ARG 130 CO 0.20 -2.29 0.68 0.00 0.02 0.00 0.00 175.30 173.91 1xtu n ALA 131 N 11.48 -1.04 -0.29 2.13 0.00 -1.25 -0.94 120.51 130.60 1xtu n ALA 131 Ca 0.21 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1xtu n ALA 131 Cb 0.50 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1xtu n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xtu n LYS 132 N 0.42 0.00 -0.02 0.00 5.02 -0.11 -4.60 118.16 118.87 1xtu n LYS 132 Ca 0.11 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.37 1xtu n LYS 132 Cb 0.40 -4.09 -0.01 0.00 -0.02 0.00 0.00 35.03 31.30 1xtu n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xtu n VAL 133 N -2.00 0.19 -2.86 -0.18 0.31 -0.15 -4.42 118.33 109.21 1xtu n VAL 133 Ca 0.00 -0.06 -0.40 0.00 -0.01 0.00 0.00 64.34 63.87 1xtu n VAL 133 Cb 0.00 -1.04 -0.06 0.00 -0.91 0.00 0.00 33.84 31.83 1xtu n VAL 133 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1xtu s ASP 134 N -4.77 7.47 -0.46 4.52 1.01 -0.12 -4.60 116.67 119.70 1xtu s ASP 134 Ca -0.05 1.74 -0.17 0.00 0.71 0.00 0.00 52.55 54.78 1xtu s ASP 134 Cb 0.01 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1xtu s ASP 134 CO 0.07 0.11 0.49 0.20 0.21 0.00 0.00 175.17 176.25 1xtu s ASN 135 N -0.78 6.19 -0.07 0.27 0.01 0.13 -0.22 114.94 120.47 1xtu s ASN 135 Ca 0.40 -0.94 -0.18 0.00 -0.71 0.00 0.00 52.86 51.43 1xtu s ASN 135 Cb -0.24 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 1xtu s ASN 135 CO 0.28 -0.71 0.48 -0.69 -1.51 0.00 0.00 177.10 174.96 1xtu s VAL 136 N 2.17 5.10 -0.22 1.60 1.01 -0.26 -1.96 120.40 127.84 1xtu s VAL 136 Ca 0.11 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.08 1xtu s VAL 136 Cb -0.20 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.40 1xtu s VAL 136 CO 0.11 0.40 -0.14 -0.63 0.00 0.00 0.00 175.10 174.84 1xtu s ILE 137 N 0.12 2.25 -0.21 2.22 1.01 -0.01 0.48 121.20 127.05 1xtu s ILE 137 Ca 0.26 -1.23 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 1xtu s ILE 137 Cb -0.16 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1xtu s ILE 137 CO 0.12 0.26 0.09 -0.63 0.00 0.00 0.00 174.94 174.78 1xtu s ILE 138 N 1.22 4.82 -0.04 2.92 1.01 0.21 -0.64 121.20 130.69 1xtu s ILE 138 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1xtu s ILE 138 Cb -0.16 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1xtu s ILE 138 CO -0.08 0.40 -0.13 0.00 0.00 0.00 0.00 174.94 175.13 1xtu s ALA 139 N 0.86 2.74 -0.30 9.38 0.00 -1.20 -0.93 121.76 132.32 1xtu s ALA 139 Ca 0.05 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 1xtu s ALA 139 Cb -0.13 -1.01 0.16 0.00 0.00 0.00 0.00 23.12 22.13 1xtu s ALA 139 CO 0.03 0.56 0.66 0.34 0.00 0.00 0.00 175.76 177.35 1xtu s ASP 140 N -0.83 -1.19 0.28 0.00 2.15 -0.36 -4.23 116.67 112.49 1xtu s ASP 140 Ca 0.12 1.20 0.01 0.00 0.43 0.00 0.00 52.55 54.31 1xtu s ASP 140 Cb -0.11 2.18 0.65 0.00 -0.30 0.00 0.00 42.92 45.34 1xtu s ASP 140 CO 0.01 -0.23 1.68 -0.65 -0.17 0.00 0.00 175.17 175.82 1xtu h PRO 141 N 7.97 0.31 -5.88 4.34 0.11 -1.87 -3.34 132.00 133.64 1xtu h PRO 141 Ca -0.20 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.29 1xtu h PRO 141 Cb 1.13 -0.07 -0.30 0.00 0.11 0.00 0.00 31.00 31.87 1xtu h PRO 141 CO 0.16 0.21 -0.85 -1.64 -0.21 0.00 0.00 178.00 175.66 1xtu s MET 142 N -5.94 1.76 -0.29 1.05 -1.94 -1.26 -0.59 119.30 112.09 1xtu s MET 142 Ca -0.12 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.15 1xtu s MET 142 Cb 0.24 -1.65 0.08 0.00 2.01 0.00 0.00 34.83 35.52 1xtu s MET 142 CO 0.77 0.40 0.03 0.42 -0.01 0.00 0.00 175.02 176.63 1xtu s ILE 143 N -0.36 1.53 0.00 2.53 1.01 -0.88 -5.00 121.20 120.04 1xtu s ILE 143 Ca 0.05 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1xtu s ILE 143 Cb -0.09 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1xtu s ILE 143 CO 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 174.94 174.51 1xtu n ALA 144 N 4.61 0.00 1.35 9.38 0.00 -1.26 -1.00 120.51 133.59 1xtu n ALA 144 Ca -0.04 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.43 1xtu n ALA 144 Cb 0.43 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.28 1xtu n ALA 144 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xtu n THR 145 N -1.89 0.00 -0.68 0.00 -2.24 -1.26 -3.32 114.28 104.90 1xtu n THR 145 Ca 0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1xtu n THR 145 Cb 0.00 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1xtu n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xtu n ALA 146 N 0.37 0.00 -0.36 6.98 0.00 -1.26 -4.76 120.51 121.49 1xtu n ALA 146 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.64 1xtu n ALA 146 Cb 0.41 -0.80 0.18 0.00 0.00 0.00 0.00 19.45 19.25 1xtu n ALA 146 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xtu h SER 147 N 0.00 0.99 0.27 0.00 0.02 -1.90 0.10 113.55 113.03 1xtu h SER 147 Ca 0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1xtu h SER 147 Cb 0.11 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1xtu h SER 147 CO 0.00 0.61 -0.13 0.74 -1.14 0.00 0.00 176.83 176.91 1xtu h THR 148 N 1.11 0.77 -0.64 -2.27 2.02 -1.91 -1.74 112.91 110.25 1xtu h THR 148 Ca 0.43 -0.59 0.07 0.00 0.77 0.00 0.00 66.41 67.09 1xtu h THR 148 Cb 0.22 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 1xtu h THR 148 CO -0.19 0.12 0.32 0.24 0.37 0.00 0.00 175.52 176.38 1xtu h MET 149 N -0.69 0.57 -0.82 6.66 2.07 -1.88 -1.90 114.93 118.94 1xtu h MET 149 Ca -0.04 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.58 1xtu h MET 149 Cb 0.47 -0.13 -0.04 0.00 -1.87 0.00 0.00 31.60 30.03 1xtu h MET 149 CO 0.06 0.38 0.54 -0.07 1.07 0.00 0.00 176.91 178.88 1xtu h LEU 150 N 0.59 0.92 -0.86 1.22 3.38 -0.76 0.14 115.31 119.93 1xtu h LEU 150 Ca 0.30 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1xtu h LEU 150 Cb 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1xtu h LEU 150 CO -0.22 0.65 0.49 0.50 0.09 0.00 0.00 178.44 179.95 1xtu h LYS 151 N 1.08 1.19 0.10 1.13 1.63 -0.54 0.46 116.57 121.62 1xtu h LYS 151 Ca 0.31 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 1xtu h LYS 151 Cb -0.08 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.32 1xtu h LYS 151 CO -0.08 0.86 -0.05 0.28 -3.45 0.00 0.00 179.45 177.01 1xtu h VAL 152 N 1.20 1.09 -0.72 2.00 2.07 -0.87 -3.01 116.25 118.01 1xtu h VAL 152 Ca 0.31 -0.83 0.09 0.00 0.82 0.00 0.00 66.70 67.09 1xtu h VAL 152 Cb 0.01 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1xtu h VAL 152 CO -0.05 0.20 0.47 -0.07 0.02 0.00 0.00 177.57 178.14 1xtu h LEU 153 N -0.53 0.57 -0.96 2.57 3.38 -0.48 -1.54 115.31 118.32 1xtu h LEU 153 Ca -0.01 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1xtu h LEU 153 Cb 0.43 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xtu h LEU 153 CO 0.02 0.35 0.82 -0.08 0.09 0.00 0.00 178.44 179.64 1xtu h GLU 154 N 0.63 0.00 0.00 1.13 4.81 0.06 -0.05 114.58 121.16 1xtu h GLU 154 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1xtu h GLU 154 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1xtu h GLU 154 CO -0.11 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 177.32 1xtu n GLU 155 N -2.90 -0.33 0.09 1.92 0.28 -0.61 -4.56 120.64 114.52 1xtu n GLU 155 Ca 0.05 -0.22 -0.14 0.00 -0.16 0.00 0.00 57.16 56.69 1xtu n GLU 155 Cb 0.92 -0.69 -0.14 0.00 1.43 0.00 0.00 31.44 32.96 1xtu n GLU 155 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1xtu h VAL 156 N 0.66 1.47 -0.47 3.84 2.07 -0.64 -3.22 116.25 119.95 1xtu h VAL 156 Ca 0.00 -3.09 -0.02 0.00 0.82 0.00 0.00 66.70 64.41 1xtu h VAL 156 Cb 0.32 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1xtu h VAL 156 CO 0.00 0.89 0.20 0.58 0.02 0.00 0.00 177.57 179.26 1xtu h VAL 157 N 0.06 1.17 -0.70 2.57 2.07 -1.62 -2.53 116.25 117.26 1xtu h VAL 157 Ca -0.13 -0.51 0.15 0.00 0.82 0.00 0.00 66.70 67.03 1xtu h VAL 157 Cb 1.94 0.60 -0.11 0.00 -1.52 0.00 0.00 31.29 32.19 1xtu h VAL 157 CO 0.18 0.20 0.07 0.11 0.02 0.00 0.00 177.57 178.15 1xtu h LYS 158 N 0.66 0.16 0.00 1.57 1.57 -1.79 0.22 116.57 118.96 1xtu h LYS 158 Ca 0.16 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1xtu h LYS 158 Cb 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1xtu h LYS 158 CO -0.02 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1xtu n ALA 159 N -2.79 1.30 -3.56 3.86 0.00 -0.95 -4.91 120.51 113.44 1xtu n ALA 159 Ca 0.12 -0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.34 1xtu n ALA 159 Cb 0.43 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1xtu n ALA 159 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xtu n ASN 160 N -1.50 -5.81 -4.78 0.00 5.15 0.79 -3.78 115.26 105.33 1xtu n ASN 160 Ca 0.02 -0.73 -0.29 0.00 -0.60 0.00 0.00 54.58 52.98 1xtu n ASN 160 Cb 0.08 -3.13 0.13 0.00 -0.53 0.00 0.00 39.78 36.33 1xtu n ASN 160 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1xtu s PRO 161 N -4.71 1.18 0.11 1.20 0.02 -1.26 -0.94 135.00 130.61 1xtu s PRO 161 Ca 0.13 0.37 -0.19 0.00 0.02 0.00 0.00 61.00 61.33 1xtu s PRO 161 Cb -0.05 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 1xtu s PRO 161 CO 0.85 -2.18 1.69 -0.22 -0.33 0.00 0.00 177.00 176.81 1xtu h LYS 162 N -1.49 0.36 -4.01 5.54 3.64 -0.81 -3.37 116.57 116.42 1xtu h LYS 162 Ca -0.51 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.71 1xtu h LYS 162 Cb 1.32 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.94 1xtu h LYS 162 CO 0.61 0.35 -0.46 1.03 -2.27 0.00 0.00 179.45 178.71 1xtu s ARG 163 N -5.76 0.91 -0.14 1.90 0.52 -1.15 -4.94 118.95 110.29 1xtu s ARG 163 Ca -0.13 -1.15 -0.03 0.00 -0.52 0.00 0.00 55.73 53.90 1xtu s ARG 163 Cb 0.08 0.31 0.05 0.00 0.52 0.00 0.00 34.95 35.91 1xtu s ARG 163 CO 0.71 -0.29 0.04 0.42 0.02 0.00 0.00 175.30 176.21 1xtu s ILE 164 N -3.94 0.30 -0.08 1.52 1.01 -1.26 -1.10 121.20 117.66 1xtu s ILE 164 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1xtu s ILE 164 Cb 0.05 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1xtu s ILE 164 CO -0.05 -0.05 0.07 -0.31 0.00 0.00 0.00 174.94 174.59 1xtu s TYR 165 N 1.97 3.36 -0.06 3.97 1.51 0.18 -1.41 117.35 126.86 1xtu s TYR 165 Ca 0.02 0.32 0.05 0.00 -1.01 0.00 0.00 57.07 56.45 1xtu s TYR 165 Cb -0.15 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.85 1xtu s TYR 165 CO -0.07 0.59 -0.20 0.42 -1.11 0.00 0.00 175.55 175.18 1xtu s ILE 166 N -1.01 2.55 -0.08 2.71 1.01 0.24 -0.62 121.20 126.01 1xtu s ILE 166 Ca 0.16 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1xtu s ILE 166 Cb -0.12 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.40 1xtu s ILE 166 CO 0.05 0.57 -0.11 -0.69 0.00 0.00 0.00 174.94 174.76 1xtu s VAL 167 N -0.33 1.13 0.16 2.92 1.01 -0.10 -0.08 120.40 125.10 1xtu s VAL 167 Ca 0.02 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1xtu s VAL 167 Cb -0.13 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1xtu s VAL 167 CO 0.02 0.36 0.27 -0.94 0.00 0.00 0.00 175.10 174.82 1xtu s SER 168 N 0.88 0.05 -0.15 3.32 1.04 -0.75 -1.22 113.70 116.86 1xtu s SER 168 Ca -0.10 -0.85 -0.20 0.00 0.48 0.00 0.00 55.95 55.28 1xtu s SER 168 Cb -0.15 0.42 -0.24 0.00 0.10 0.00 0.00 66.02 66.16 1xtu s SER 168 CO 0.01 -0.88 0.44 0.40 0.98 0.00 0.00 173.24 174.19 1xtu h ILE 169 N 2.56 1.08 -3.76 -1.02 1.08 -1.01 -3.18 117.51 113.26 1xtu h ILE 169 Ca -0.32 -2.30 -0.32 0.00 -0.39 0.00 0.00 64.86 61.53 1xtu h ILE 169 Cb 1.23 2.61 -0.30 0.00 -3.07 0.00 0.00 36.82 37.28 1xtu h ILE 169 CO 0.49 0.54 -0.75 -0.63 -0.69 0.00 0.00 178.15 177.11 1xtu s ILE 170 N -2.40 0.32 0.01 -0.67 1.01 -0.92 -1.91 121.20 116.65 1xtu s ILE 170 Ca -0.24 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.33 1xtu s ILE 170 Cb 0.04 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.19 1xtu s ILE 170 CO 0.68 0.12 -0.11 -0.44 0.00 0.00 0.00 174.94 175.19 1xtu s SER 171 N 0.21 1.29 0.43 3.58 0.01 -0.65 -2.08 113.70 116.49 1xtu s SER 171 Ca -0.02 -0.30 -0.21 0.00 1.31 0.00 0.00 55.95 56.73 1xtu s SER 171 Cb -0.05 -0.11 -0.11 0.00 0.21 0.00 0.00 66.02 65.96 1xtu s SER 171 CO -0.00 0.06 0.95 -0.94 0.41 0.00 0.00 173.24 173.72 1xtu s SER 172 N -0.65 6.94 0.33 2.44 1.04 -0.17 -1.33 113.70 122.31 1xtu s SER 172 Ca 0.02 1.70 0.07 0.00 0.48 0.00 0.00 55.95 58.21 1xtu s SER 172 Cb -0.06 -2.54 0.75 0.00 0.10 0.00 0.00 66.02 64.27 1xtu s SER 172 CO 0.00 -0.36 1.85 -0.08 0.98 0.00 0.00 173.24 175.64 1xtu h GLU 173 N 1.93 0.75 0.02 4.02 4.81 -1.38 -0.65 114.58 124.07 1xtu h GLU 173 Ca -0.49 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1xtu h GLU 173 Cb 1.18 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1xtu h GLU 173 CO 0.61 0.49 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.46 1xtu h TYR 174 N 0.77 -0.02 0.03 0.92 3.20 -1.85 -2.36 116.97 117.66 1xtu h TYR 174 Ca 0.47 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.34 1xtu h TYR 174 Cb 0.69 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1xtu h TYR 174 CO -0.00 0.09 -0.01 0.78 -1.64 0.00 0.00 178.16 177.38 1xtu h GLY 175 N -0.13 -0.04 0.34 1.82 0.00 -1.24 -0.20 103.07 103.61 1xtu h GLY 175 Ca -0.00 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.42 1xtu h GLY 175 CO 0.00 -0.01 0.04 -2.08 0.00 0.00 0.00 176.54 174.49 1xtu h VAL 176 N -0.06 0.70 -0.38 4.60 2.07 -1.15 -0.02 116.25 122.00 1xtu h VAL 176 Ca -0.00 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1xtu h VAL 176 Cb 0.05 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1xtu h VAL 176 CO 0.01 0.03 -0.02 -1.13 0.02 0.00 0.00 177.57 176.48 1xtu h ASN 177 N 0.17 0.68 -0.95 0.57 -1.24 -1.28 -1.89 115.58 111.64 1xtu h ASN 177 Ca 0.23 -0.32 0.10 0.00 0.71 0.00 0.00 56.30 57.01 1xtu h ASN 177 Cb 0.31 -0.18 -0.07 0.00 0.73 0.00 0.00 38.32 39.11 1xtu h ASN 177 CO -0.34 0.84 0.61 0.50 -1.29 0.00 0.00 177.43 177.75 1xtu h LYS 178 N 0.51 0.96 0.23 6.67 3.64 0.03 -1.34 116.57 127.26 1xtu h LYS 178 Ca 0.11 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1xtu h LYS 178 Cb 0.50 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xtu h LYS 178 CO 0.02 0.63 -0.11 0.82 -2.27 0.00 0.00 179.45 178.55 1xtu h ILE 179 N 0.99 0.31 0.00 2.00 2.04 -0.94 -3.22 117.51 118.69 1xtu h ILE 179 Ca 0.44 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1xtu h ILE 179 Cb 0.38 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1xtu h ILE 179 CO -0.20 0.09 0.00 -0.07 0.00 0.00 0.00 178.15 177.97 1xtu h LEU 180 N -1.03 0.00 0.00 1.44 3.38 -1.27 0.13 115.31 117.96 1xtu h LEU 180 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xtu h LEU 180 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1xtu h LEU 180 CO 0.05 0.00 -0.88 0.77 0.09 0.00 0.00 178.44 178.47 1xtu h SER 181 N 0.00 0.00 0.25 -0.43 4.64 -1.35 -2.53 113.55 114.13 1xtu h SER 181 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1xtu h SER 181 Cb 0.11 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.16 1xtu h SER 181 CO 0.00 0.03 -2.00 1.17 -0.87 0.00 0.00 176.83 175.17 1xtu n LYS 182 N -2.75 0.68 -3.28 4.77 3.00 -0.45 -4.63 118.16 115.50 1xtu n LYS 182 Ca 0.00 0.22 -0.25 0.00 -0.00 0.00 0.00 58.31 58.28 1xtu n LYS 182 Cb 0.56 -1.69 -0.08 0.00 0.00 0.00 0.00 35.03 33.82 1xtu n LYS 182 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1xtu n TYR 183 N -3.13 0.10 0.31 5.64 4.02 0.31 -4.97 117.16 119.44 1xtu n TYR 183 Ca -0.27 -3.60 0.15 0.00 -0.01 0.00 0.00 57.90 54.17 1xtu n TYR 183 Cb 1.06 -0.26 0.79 0.00 -0.02 0.00 0.00 39.34 40.91 1xtu n TYR 183 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1xtu h PRO 184 N 4.38 0.00 -0.00 -0.72 0.11 -1.67 -1.29 132.00 132.80 1xtu h PRO 184 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1xtu h PRO 184 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1xtu h PRO 184 CO 0.49 0.00 -0.20 1.97 -0.21 0.00 0.00 178.00 180.06 1xtu n PHE 185 N -2.96 0.00 -2.30 0.65 1.16 -1.26 -3.17 117.46 109.58 1xtu n PHE 185 Ca -0.01 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.17 1xtu n PHE 185 Cb 0.42 -0.36 -0.03 0.00 -1.61 0.00 0.00 39.48 37.91 1xtu n PHE 185 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1xtu s ILE 186 N -2.91 3.10 -0.55 1.97 1.01 -0.49 -4.60 121.20 118.74 1xtu s ILE 186 Ca 0.16 1.11 -0.18 0.00 0.00 0.00 0.00 60.65 61.73 1xtu s ILE 186 Cb 0.19 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 39.04 1xtu s ILE 186 CO 0.58 0.26 0.63 -0.31 0.00 0.00 0.00 174.94 176.11 1xtu s TYR 187 N -1.16 3.06 -0.34 3.97 2.02 -0.50 -1.21 117.35 123.19 1xtu s TYR 187 Ca 0.47 -0.82 -0.15 0.00 -0.37 0.00 0.00 57.07 56.19 1xtu s TYR 187 Cb -0.36 -3.74 -0.01 0.00 -0.40 0.00 0.00 41.96 37.45 1xtu s TYR 187 CO 0.47 -1.13 0.36 -1.17 -1.57 0.00 0.00 175.55 172.51 1xtu s LEU 188 N 2.49 4.42 -0.14 -1.29 2.96 0.65 -0.59 118.68 127.18 1xtu s LEU 188 Ca 0.11 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1xtu s LEU 188 Cb -0.23 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1xtu s LEU 188 CO 0.08 -0.33 0.04 -0.36 -1.32 0.00 0.00 176.35 174.45 1xtu s PHE 189 N 2.02 3.23 0.00 5.38 0.40 0.88 0.84 117.98 130.74 1xtu s PHE 189 Ca 0.12 0.12 -0.20 0.00 -0.60 0.00 0.00 56.93 56.37 1xtu s PHE 189 Cb -0.16 -1.95 0.04 0.00 0.51 0.00 0.00 43.02 41.46 1xtu s PHE 189 CO 0.12 0.30 0.44 -0.08 0.70 0.00 0.00 175.22 176.70 1xtu s THR 190 N -0.22 0.04 0.04 0.64 -1.32 0.30 -1.82 115.64 113.31 1xtu s THR 190 Ca 0.07 -0.36 0.07 0.00 -1.21 0.00 0.00 61.69 60.26 1xtu s THR 190 Cb -0.12 -0.84 -0.23 0.00 -1.51 0.00 0.00 72.50 69.79 1xtu s THR 190 CO 0.02 -0.20 1.00 0.58 -2.21 0.00 0.00 174.62 173.80 1xtu h VAL 191 N 3.29 1.32 -2.46 5.08 2.07 -1.36 0.62 116.25 124.81 1xtu h VAL 191 Ca -0.30 -3.06 -0.08 0.00 0.82 0.00 0.00 66.70 64.08 1xtu h VAL 191 Cb 1.18 2.69 -0.19 0.00 -1.52 0.00 0.00 31.29 33.45 1xtu h VAL 191 CO 0.41 0.78 -0.00 0.00 0.02 0.00 0.00 177.57 178.78 1xtu s ALA 192 N -2.65 -1.35 -0.29 1.67 0.00 -0.80 -4.36 121.76 113.98 1xtu s ALA 192 Ca -0.03 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1xtu s ALA 192 Cb 0.09 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.32 1xtu s ALA 192 CO 0.83 -0.34 -0.04 0.42 0.00 0.00 0.00 175.76 176.63 1xtu s ILE 193 N -1.35 2.68 0.29 0.00 1.01 -1.26 -1.64 121.20 120.94 1xtu s ILE 193 Ca -0.12 -1.51 -0.14 0.00 0.00 0.00 0.00 60.65 58.89 1xtu s ILE 193 Cb -0.02 -2.56 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 1xtu s ILE 193 CO 0.07 -0.09 0.69 -1.81 0.00 0.00 0.00 174.94 173.79 1xtu s ASP 194 N 1.20 6.75 0.08 3.58 1.01 -0.44 -4.81 116.67 124.04 1xtu s ASP 194 Ca -0.06 1.20 -0.25 0.00 0.71 0.00 0.00 52.55 54.15 1xtu s ASP 194 Cb -0.20 -2.34 -0.16 0.00 1.01 0.00 0.00 42.92 41.23 1xtu s ASP 194 CO -0.03 -0.16 1.69 1.55 0.21 0.00 0.00 175.17 178.43 1xtu h PRO 195 N 2.38 -0.18 -4.91 8.23 0.13 -1.89 -1.02 132.00 134.75 1xtu h PRO 195 Ca -0.48 0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 1xtu h PRO 195 Cb 1.17 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1xtu h PRO 195 CO 0.66 -0.10 -0.60 -1.83 -0.23 0.00 0.00 178.00 175.91 1xtu s GLU 196 N -6.07 1.49 0.21 0.86 -1.05 -1.21 -4.38 118.70 108.55 1xtu s GLU 196 Ca -0.14 -1.82 0.11 0.00 -0.15 0.00 0.00 54.97 52.97 1xtu s GLU 196 Cb 0.05 -0.27 -0.05 0.00 -0.44 0.00 0.00 34.13 33.43 1xtu s GLU 196 CO 0.65 -0.33 -0.23 -0.51 0.95 0.00 0.00 175.26 175.79 1xtu s LEU 197 N -3.35 2.48 0.00 1.83 1.43 -1.26 0.10 118.68 119.91 1xtu s LEU 197 Ca 0.37 -0.91 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1xtu s LEU 197 Cb 0.07 -1.12 0.05 0.00 0.03 0.00 0.00 46.19 45.21 1xtu s LEU 197 CO 0.15 0.09 0.41 -0.46 0.23 0.00 0.00 176.35 176.77 1xtu n ASN 198 N 0.04 1.08 0.31 2.29 0.23 -0.38 -4.88 115.26 113.94 1xtu n ASN 198 Ca -0.11 -1.79 0.19 0.00 -0.53 0.00 0.00 54.58 52.34 1xtu n ASN 198 Cb 0.57 -0.22 0.97 0.00 -2.08 0.00 0.00 39.78 39.02 1xtu n ASN 198 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1xtu h ASN 199 N 0.05 0.00 0.29 0.53 2.35 -1.86 -1.00 115.58 115.94 1xtu h ASN 199 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1xtu h ASN 199 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1xtu h ASN 199 CO 0.20 0.03 -0.45 0.29 -1.65 0.00 0.00 177.43 175.85 1xtu n LYS 200 N -3.27 0.46 -0.79 0.81 5.02 -1.26 -2.23 118.16 116.90 1xtu n LYS 200 Ca -0.02 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1xtu n LYS 200 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1xtu n LYS 200 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xtu n GLY 201 N 1.43 1.30 3.71 0.72 0.00 -0.38 -4.53 105.19 107.44 1xtu n GLY 201 Ca 0.08 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1xtu n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xtu s TYR 202 N -2.08 3.14 0.10 1.61 1.51 -1.26 -4.77 117.35 115.60 1xtu s TYR 202 Ca 0.00 0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.88 1xtu s TYR 202 Cb 0.00 -1.70 -0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1xtu s TYR 202 CO 0.00 0.49 1.20 0.42 -1.11 0.00 0.00 175.55 176.54 1xtu s ILE 203 N -1.10 3.88 -0.12 2.71 1.01 -1.26 -1.25 121.20 125.07 1xtu s ILE 203 Ca 0.20 1.42 0.02 0.00 0.00 0.00 0.00 60.65 62.29 1xtu s ILE 203 Cb -0.12 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.44 1xtu s ILE 203 CO 0.11 0.15 -0.19 -0.76 0.00 0.00 0.00 174.94 174.24 1xtu s LEU 204 N 0.61 2.32 0.19 2.97 1.43 0.11 -2.53 118.68 123.78 1xtu s LEU 204 Ca 0.57 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1xtu s LEU 204 Cb -0.30 -1.49 0.10 0.00 0.03 0.00 0.00 46.19 44.52 1xtu s LEU 204 CO 0.32 0.13 1.70 -0.65 0.23 0.00 0.00 176.35 178.08 1xtu h PRO 205 N 6.93 1.08 0.00 1.29 0.11 -1.95 -3.21 132.00 136.24 1xtu h PRO 205 Ca -0.25 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xtu h PRO 205 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xtu h PRO 205 CO 0.52 0.96 0.00 0.41 -0.21 0.00 0.00 178.00 179.69 1xtu n GLY 206 N -0.65 1.00 0.53 -0.55 0.00 -1.05 -4.57 105.19 99.91 1xtu n GLY 206 Ca 0.04 -0.64 -0.00 0.00 0.00 0.00 0.00 46.02 45.43 1xtu n GLY 206 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xtu n LEU 207 N 0.00 -0.01 0.00 0.99 -0.00 -1.26 -4.74 117.00 111.98 1xtu n LEU 207 Ca 0.00 -1.05 0.00 0.00 -0.00 0.00 0.00 56.01 54.96 1xtu n LEU 207 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xtu n LEU 207 CO 0.00 0.72 0.00 0.61 -0.00 0.00 0.00 177.39 178.72 1xtu n GLY 208 N 0.01 -1.72 3.59 1.47 0.00 -1.26 -4.78 105.19 102.50 1xtu n GLY 208 Ca -0.01 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1xtu n GLY 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xtu s ASP 209 N -4.00 6.59 0.23 1.61 2.15 -1.26 -4.93 116.67 117.06 1xtu s ASP 209 Ca 0.00 0.44 -0.08 0.00 0.43 0.00 0.00 52.55 53.33 1xtu s ASP 209 Cb 0.00 -2.41 0.37 0.00 -0.30 0.00 0.00 42.92 40.58 1xtu s ASP 209 CO 0.00 -0.74 1.67 0.00 -0.17 0.00 0.00 175.17 175.93 1xtu h ALA 210 N 8.43 0.74 -0.38 3.66 0.00 -1.98 0.21 119.26 129.93 1xtu h ALA 210 Ca -0.24 0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xtu h ALA 210 Cb 1.09 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1xtu h ALA 210 CO 0.92 -0.38 0.17 0.78 0.00 0.00 0.00 179.25 180.74 1xtu h GLY 211 N 0.17 0.51 0.95 0.00 0.00 -1.94 -0.91 103.07 101.85 1xtu h GLY 211 Ca 0.36 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.51 1xtu h GLY 211 CO -0.53 0.07 -0.07 -1.80 0.00 0.00 0.00 176.54 174.21 1xtu h ASP 212 N 0.35 0.70 0.29 0.19 1.82 -1.65 0.11 116.42 118.23 1xtu h ASP 212 Ca 0.17 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.45 1xtu h ASP 212 Cb 0.11 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 39.93 1xtu h ASP 212 CO -0.14 0.89 -0.03 0.03 -1.61 0.00 0.00 179.24 178.37 1xtu h ARG 213 N 0.50 0.00 0.00 0.28 2.47 -0.29 0.26 114.38 117.60 1xtu h ARG 213 Ca 0.10 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.45 1xtu h ARG 213 Cb 0.57 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.82 1xtu h ARG 213 CO 0.03 0.03 -2.39 0.00 0.56 0.00 0.00 179.97 178.20 1xtu n ALA 214 N -2.17 1.49 -0.07 0.04 0.00 -0.38 -3.79 120.51 115.64 1xtu n ALA 214 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1xtu n ALA 214 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1xtu n ALA 214 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xtu n PHE 215 N -2.95 0.00 1.91 0.00 3.01 0.37 -4.68 117.46 115.11 1xtu n PHE 215 Ca -0.38 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.24 1xtu n PHE 215 Cb 1.07 0.00 0.91 0.00 -0.01 0.00 0.00 39.48 41.45 1xtu n PHE 215 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18