#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 2.90 -0.21 2.45 2.96 -1.26 -0.31 118.68 125.22 1xtu s LEU 3 Ca 0.00 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1xtu s LEU 3 Cb 0.00 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 45.04 1xtu s LEU 3 CO 0.00 0.11 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.73 1xtu s TYR 4 N 0.68 2.49 -0.45 5.38 1.51 0.23 -4.95 117.35 122.24 1xtu s TYR 4 Ca -0.04 -1.66 -0.09 0.00 -1.01 0.00 0.00 57.07 54.27 1xtu s TYR 4 Cb -0.15 -1.66 0.10 0.00 -0.11 0.00 0.00 41.96 40.14 1xtu s TYR 4 CO 0.02 -0.76 0.30 0.08 -1.11 0.00 0.00 175.55 174.09 1xtu s VAL 5 N 1.37 4.20 -0.89 0.71 1.01 -1.26 -0.48 120.40 125.07 1xtu s VAL 5 Ca -0.02 -1.62 -0.22 0.00 0.00 0.00 0.00 61.98 60.13 1xtu s VAL 5 Cb -0.17 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1xtu s VAL 5 CO -0.08 -0.65 1.21 -0.63 0.00 0.00 0.00 175.10 174.95 1xtu s ILE 6 N 1.39 4.30 -0.61 2.22 -1.09 0.27 -4.85 121.20 122.82 1xtu s ILE 6 Ca 0.05 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1xtu s ILE 6 Cb -0.25 -4.86 0.39 0.00 -1.58 0.00 0.00 42.46 36.16 1xtu s ILE 6 CO 0.00 -1.67 1.49 -0.90 -1.23 0.00 0.00 174.94 172.63 1xtu n ASP 7 N 7.78 5.88 -4.90 3.58 5.68 -1.26 -4.49 116.55 128.82 1xtu n ASP 7 Ca 0.20 -3.77 -0.28 0.00 -0.50 0.00 0.00 54.79 50.43 1xtu n ASP 7 Cb 0.49 -0.71 -0.00 0.00 -1.14 0.00 0.00 41.12 39.75 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 -3.76 3.58 0.18 0.11 1.02 -1.26 -4.83 119.74 114.77 1xtu s LYS 8 Ca 0.50 0.34 -0.27 0.00 0.02 0.00 0.00 55.97 56.55 1xtu s LYS 8 Cb 0.41 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 35.42 1xtu s LYS 8 CO -0.28 -0.26 1.54 -1.35 -0.92 0.00 0.00 175.35 174.08 1xtu h PRO 9 N 0.24 -0.03 -0.99 -1.68 0.11 -1.99 -1.09 132.00 126.57 1xtu h PRO 9 Ca -0.46 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.72 1xtu h PRO 9 Cb 1.20 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1xtu h PRO 9 CO 0.62 -0.02 0.64 0.97 -0.21 0.00 0.00 178.00 180.00 1xtu h ILE 10 N -0.03 1.07 0.00 4.15 6.09 -1.99 0.41 117.51 127.21 1xtu h ILE 10 Ca 0.21 -0.39 -0.13 0.00 -1.37 0.00 0.00 64.86 63.17 1xtu h ILE 10 Cb 0.47 -0.16 -0.02 0.00 0.47 0.00 0.00 36.82 37.58 1xtu h ILE 10 CO -0.93 0.21 -0.63 0.71 -3.07 0.00 0.00 178.15 174.44 1xtu h THR 11 N 1.13 1.33 -0.05 2.19 1.35 -1.58 -1.98 112.91 115.29 1xtu h THR 11 Ca 0.43 -2.26 -0.25 0.00 -0.55 0.00 0.00 66.41 63.79 1xtu h THR 11 Cb 0.20 2.26 0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1xtu h THR 11 CO -0.18 0.62 -0.94 -0.07 -0.25 0.00 0.00 175.52 174.70 1xtu h LEU 12 N 0.00 0.86 -0.25 3.87 3.38 -0.25 -0.76 115.31 122.15 1xtu h LEU 12 Ca -0.01 -0.64 0.05 0.00 0.09 0.00 0.00 57.88 57.37 1xtu h LEU 12 Cb 1.21 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1xtu h LEU 12 CO 0.08 1.44 -0.04 -0.74 0.09 0.00 0.00 178.44 179.27 1xtu h HIS 13 N 0.41 -0.09 -0.53 1.13 2.76 -0.06 0.28 115.15 119.06 1xtu h HIS 13 Ca -0.10 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.03 1xtu h HIS 13 Cb 1.58 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 30.60 1xtu h HIS 13 CO 0.09 -0.08 0.09 0.82 -1.30 0.00 0.00 177.93 177.55 1xtu h ILE 14 N 0.03 1.25 -0.84 6.26 2.04 -1.35 -2.53 117.51 122.37 1xtu h ILE 14 Ca 0.12 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.07 1xtu h ILE 14 Cb 0.18 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1xtu h ILE 14 CO -0.24 0.34 0.55 0.25 0.00 0.00 0.00 178.15 179.05 1xtu h LEU 15 N 0.75 0.91 -0.32 1.44 5.85 -0.35 -0.86 115.31 122.74 1xtu h LEU 15 Ca 0.16 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1xtu h LEU 15 Cb 0.39 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1xtu h LEU 15 CO 0.01 0.64 0.17 0.74 -0.34 0.00 0.00 178.44 179.66 1xtu h THR 16 N 1.06 1.01 -0.97 1.05 2.02 -0.06 0.12 112.91 117.14 1xtu h THR 16 Ca 0.33 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.41 1xtu h THR 16 Cb -0.00 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1xtu h THR 16 CO -0.09 0.07 0.64 1.56 0.37 0.00 0.00 175.52 178.06 1xtu h GLN 17 N 0.36 1.25 -0.47 6.66 1.08 -0.94 -0.44 115.11 122.60 1xtu h GLN 17 Ca 0.13 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.14 1xtu h GLN 17 Cb 0.02 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.16 1xtu h GLN 17 CO -0.07 0.82 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.40 1xtu h LEU 18 N 1.28 0.92 -0.30 1.46 3.38 -0.31 -3.14 115.31 118.60 1xtu h LEU 18 Ca 0.37 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1xtu h LEU 18 Cb -0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1xtu h LEU 18 CO -0.09 1.06 -0.05 0.03 0.09 0.00 0.00 178.44 179.48 1xtu h ARG 19 N 0.80 0.57 -6.03 1.13 3.08 -0.03 -3.44 114.38 110.46 1xtu h ARG 19 Ca 0.12 -0.21 -0.67 0.00 0.07 0.00 0.00 59.98 59.29 1xtu h ARG 19 Cb 0.70 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1xtu h ARG 19 CO 0.05 0.75 1.34 -3.47 -1.07 0.00 0.00 179.97 177.57 1xtu n ASP 20 N -4.50 2.32 0.15 7.04 -0.08 -0.24 -4.76 116.55 116.48 1xtu n ASP 20 Ca -0.03 0.52 0.10 0.00 -1.51 0.00 0.00 54.79 53.87 1xtu n ASP 20 Cb 0.30 -1.27 0.53 0.00 2.34 0.00 0.00 41.12 43.02 1xtu n ASP 20 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1xtu n LYS 21 N 7.80 0.13 -0.27 -0.67 2.85 -1.26 -1.65 118.16 125.08 1xtu n LYS 21 Ca 0.38 0.62 0.03 0.00 -1.05 0.00 0.00 58.31 58.29 1xtu n LYS 21 Cb 0.23 -1.95 0.13 0.00 -0.65 0.00 0.00 35.03 32.80 1xtu n LYS 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1xtu n TYR 22 N -2.19 0.64 -3.58 5.58 4.02 -1.26 -4.81 117.16 115.56 1xtu n TYR 22 Ca -0.01 -0.23 -0.38 0.00 -0.01 0.00 0.00 57.90 57.26 1xtu n TYR 22 Cb 0.07 -0.19 -0.11 0.00 -0.02 0.00 0.00 39.34 39.09 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 -1.62 5.31 0.93 -0.72 2.01 -0.66 -5.07 115.64 115.81 1xtu s THR 23 Ca 0.19 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.17 1xtu s THR 23 Cb 0.13 -3.57 0.15 0.00 0.01 0.00 0.00 72.50 69.22 1xtu s THR 23 CO 0.07 0.20 1.11 1.51 -0.69 0.00 0.00 174.62 176.82 1xtu s ASP 24 N 1.75 2.96 0.32 3.53 3.84 -1.26 -4.69 116.67 123.12 1xtu s ASP 24 Ca 0.07 1.94 0.03 0.00 -0.00 0.00 0.00 52.55 54.59 1xtu s ASP 24 Cb -0.16 -2.47 0.62 0.00 -1.38 0.00 0.00 42.92 39.53 1xtu s ASP 24 CO 0.11 -3.04 1.92 0.06 -0.00 0.00 0.00 175.17 174.22 1xtu h GLN 25 N -1.82 0.88 0.48 2.11 3.07 -1.83 0.10 115.11 118.11 1xtu h GLN 25 Ca -0.47 -0.05 -0.02 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 0.46 0.58 -0.24 0.82 0.09 0.00 0.00 178.83 180.54 1xtu h ILE 26 N 0.91 0.50 0.00 1.86 2.04 -1.86 -0.16 117.51 120.81 1xtu h ILE 26 Ca 0.38 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.20 1xtu h ILE 26 Cb 0.29 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1xtu h ILE 26 CO -0.15 0.00 -0.20 0.78 0.00 0.00 0.00 178.15 178.59 1xtu h ASN 27 N -0.66 0.00 0.28 1.72 2.35 -1.86 -1.13 115.58 116.27 1xtu h ASN 27 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1xtu h ASN 27 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1xtu h ASN 27 CO 0.10 0.20 -0.14 0.15 -1.65 0.00 0.00 177.43 176.09 1xtu h PHE 28 N 0.00 -0.35 -0.10 1.19 3.57 -0.31 -1.80 116.94 119.15 1xtu h PHE 28 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1xtu h PHE 28 Cb 0.63 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1xtu h PHE 28 CO 0.00 -0.09 0.03 0.00 -2.23 0.00 0.00 178.31 176.02 1xtu h ARG 29 N -0.59 0.07 -0.78 1.11 3.08 -0.77 -1.71 114.38 114.80 1xtu h ARG 29 Ca -0.04 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.13 1xtu h ARG 29 Cb 0.42 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.37 1xtu h ARG 29 CO 0.06 0.05 0.38 0.87 -1.07 0.00 0.00 179.97 180.26 1xtu h LYS 30 N 0.08 0.56 -0.35 0.04 1.57 -1.20 0.18 116.57 117.43 1xtu h LYS 30 Ca 0.04 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1xtu h LYS 30 Cb 0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1xtu h LYS 30 CO -0.04 0.37 -0.11 -0.91 -0.57 0.00 0.00 179.45 178.19 1xtu h ASN 31 N 0.57 0.58 -0.41 0.86 2.35 -0.93 -1.41 115.58 117.19 1xtu h ASN 31 Ca 0.41 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 1xtu h ASN 31 Cb 0.55 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1xtu h ASN 31 CO -0.34 0.72 -0.02 0.25 -1.65 0.00 0.00 177.43 176.39 1xtu h LEU 32 N 0.55 0.79 -0.11 1.61 5.85 -0.11 -0.41 115.31 123.47 1xtu h LEU 32 Ca 0.10 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1xtu h LEU 32 Cb 0.51 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1xtu h LEU 32 CO 0.03 0.87 -0.12 0.58 -0.34 0.00 0.00 178.44 179.46 1xtu h VAL 33 N 0.76 1.36 -0.69 1.05 2.07 -0.73 -1.54 116.25 118.53 1xtu h VAL 33 Ca 0.14 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.46 1xtu h VAL 33 Cb 0.49 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1xtu h VAL 33 CO 0.02 0.37 0.35 -0.09 0.02 0.00 0.00 177.57 178.24 1xtu h ARG 34 N -0.12 0.60 -0.26 1.57 2.43 -1.06 -1.17 114.38 116.37 1xtu h ARG 34 Ca 0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1xtu h ARG 34 Cb 0.64 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1xtu h ARG 34 CO 0.03 0.40 0.09 -0.07 -1.51 0.00 0.00 179.97 178.91 1xtu h LEU 35 N 0.62 0.37 -0.80 3.80 3.38 -1.02 -2.52 115.31 119.14 1xtu h LEU 35 Ca 0.33 -0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.28 1xtu h LEU 35 Cb 0.30 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 1xtu h LEU 35 CO -0.24 0.46 0.27 1.23 0.09 0.00 0.00 178.44 180.25 1xtu h GLY 36 N 0.26 1.22 0.92 0.83 0.00 -0.19 0.34 103.07 106.45 1xtu h GLY 36 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1xtu h GLY 36 CO -0.00 -0.20 -0.10 -0.09 0.00 0.00 0.00 176.54 176.15 1xtu h ARG 37 N 0.35 -0.26 0.01 4.80 2.43 -1.00 -0.29 114.38 120.43 1xtu h ARG 37 Ca 0.46 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.68 1xtu h ARG 37 Cb 0.81 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 1xtu h ARG 37 CO -0.50 -0.11 -0.22 0.82 -1.51 0.00 0.00 179.97 178.46 1xtu h ILE 38 N -0.35 0.49 -0.40 1.20 2.04 -0.71 0.48 117.51 120.27 1xtu h ILE 38 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1xtu h ILE 38 Cb 0.27 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1xtu h ILE 38 CO 0.04 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 178.40 1xtu h LEU 39 N -0.35 0.25 0.12 1.44 3.38 -0.33 0.38 115.31 120.20 1xtu h LEU 39 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xtu h LEU 39 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1xtu h LEU 39 CO -0.19 0.16 -0.06 1.23 0.09 0.00 0.00 178.44 179.68 1xtu h GLY 40 N 0.28 -0.17 0.03 0.83 0.00 0.83 0.23 103.07 105.09 1xtu h GLY 40 Ca 0.18 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.67 1xtu h GLY 40 CO -0.04 -0.06 -0.10 -1.82 0.00 0.00 0.00 176.54 174.52 1xtu h TYR 41 N -0.33 -0.21 -0.39 5.60 3.20 0.67 0.16 116.97 125.67 1xtu h TYR 41 Ca -0.02 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1xtu h TYR 41 Cb 0.27 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 1xtu h TYR 41 CO -0.02 -0.20 0.14 0.93 -1.64 0.00 0.00 178.16 177.37 1xtu h GLU 42 N 0.03 0.28 -0.77 1.82 4.39 -0.63 -1.59 114.58 118.12 1xtu h GLU 42 Ca 0.25 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1xtu h GLU 42 Cb 0.38 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1xtu h GLU 42 CO -0.50 0.19 0.45 0.82 -1.16 0.00 0.00 179.01 178.81 1xtu h ILE 43 N 0.29 1.22 -0.73 3.13 2.04 0.10 -2.74 117.51 120.82 1xtu h ILE 43 Ca 0.18 -0.50 0.16 0.00 1.00 0.00 0.00 64.86 65.70 1xtu h ILE 43 Cb 0.16 0.17 -0.13 0.00 -0.74 0.00 0.00 36.82 36.28 1xtu h ILE 43 CO -0.19 0.23 -0.02 0.28 0.00 0.00 0.00 178.15 178.46 1xtu h SER 44 N 1.05 -0.38 0.29 1.72 0.02 0.28 0.34 113.55 116.89 1xtu h SER 44 Ca 0.27 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1xtu h SER 44 Cb -0.02 0.35 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1xtu h SER 44 CO -0.05 -0.18 0.00 0.59 -1.14 0.00 0.00 176.83 176.05 1xtu n ASN 45 N -5.35 0.00 -0.00 3.07 3.02 -1.03 -1.36 115.26 113.61 1xtu n ASN 45 Ca 0.12 0.26 0.10 0.00 -0.03 0.00 0.00 54.58 55.04 1xtu n ASN 45 Cb 0.45 -0.37 -0.13 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.37 0.00 -1.68 3.41 -2.24 0.12 -4.98 114.28 107.54 1xtu n THR 46 Ca 0.05 -0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 1xtu n THR 46 Cb 0.11 0.74 0.07 0.00 -2.10 0.00 0.00 70.33 69.15 1xtu n THR 46 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xtu s LEU 47 N -3.39 3.52 0.20 3.22 1.43 -0.46 -4.95 118.68 118.26 1xtu s LEU 47 Ca 0.04 2.57 -0.30 0.00 -1.03 0.00 0.00 54.13 55.41 1xtu s LEU 47 Cb 0.15 -4.61 -0.08 0.00 0.03 0.00 0.00 46.19 41.68 1xtu s LEU 47 CO 0.87 -2.06 1.24 -0.62 0.23 0.00 0.00 176.35 176.02 1xtu s ASP 48 N -1.51 7.00 0.16 2.29 -1.08 -1.26 -5.03 116.67 117.25 1xtu s ASP 48 Ca 0.81 2.32 -0.01 0.00 -0.52 0.00 0.00 52.55 55.15 1xtu s ASP 48 Cb -0.36 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 38.45 1xtu s ASP 48 CO 0.41 -0.43 0.10 -0.72 0.52 0.00 0.00 175.17 175.04 1xtu s TYR 49 N -0.07 0.97 -0.02 -5.34 -0.85 -1.26 -4.25 117.35 106.52 1xtu s TYR 49 Ca 0.54 -1.27 0.07 0.00 -0.52 0.00 0.00 57.07 55.88 1xtu s TYR 49 Cb -0.34 -0.49 -0.02 0.00 0.38 0.00 0.00 41.96 41.49 1xtu s TYR 49 CO 0.38 -0.58 -0.23 -1.21 -1.52 0.00 0.00 175.55 172.39 1xtu s GLU 50 N -4.09 1.89 0.19 -3.49 2.02 -0.93 -5.00 118.70 109.29 1xtu s GLU 50 Ca 0.30 -0.82 -0.28 0.00 0.02 0.00 0.00 54.97 54.19 1xtu s GLU 50 Cb 0.07 -1.82 -0.08 0.00 0.10 0.00 0.00 34.13 32.40 1xtu s GLU 50 CO 0.06 0.49 0.89 0.42 0.02 0.00 0.00 175.26 177.14 1xtu s ILE 51 N -0.52 4.25 0.36 -1.63 1.01 -1.26 -1.89 121.20 121.51 1xtu s ILE 51 Ca 0.08 1.95 0.07 0.00 0.00 0.00 0.00 60.65 62.75 1xtu s ILE 51 Cb -0.09 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 1xtu s ILE 51 CO -0.01 0.48 0.24 1.33 0.00 0.00 0.00 174.94 176.98 1xtu n VAL 52 N 1.75 0.00 -4.31 2.92 0.24 0.58 -4.95 118.33 114.57 1xtu n VAL 52 Ca -0.03 -2.42 -0.20 0.00 -2.04 0.00 0.00 64.34 59.66 1xtu n VAL 52 Cb 0.48 1.10 -0.11 0.00 -1.47 0.00 0.00 33.84 33.84 1xtu n VAL 52 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1xtu s GLU 53 N -3.42 1.20 0.05 7.34 2.12 -1.26 -0.02 118.70 124.71 1xtu s GLU 53 Ca 0.34 -1.39 -0.18 0.00 0.36 0.00 0.00 54.97 54.11 1xtu s GLU 53 Cb 0.02 -1.16 0.03 0.00 0.26 0.00 0.00 34.13 33.28 1xtu s GLU 53 CO 0.24 0.22 0.40 0.54 -0.54 0.00 0.00 175.26 176.13 1xtu s VAL 54 N -2.24 0.06 -0.28 3.70 0.11 0.55 -4.84 120.40 117.45 1xtu s VAL 54 Ca 0.15 -0.48 -0.07 0.00 -2.93 0.00 0.00 61.98 58.64 1xtu s VAL 54 Cb -0.05 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1xtu s VAL 54 CO 0.05 -0.27 0.08 -0.70 -3.33 0.00 0.00 175.10 170.94 1xtu s GLU 55 N -2.53 3.30 0.70 1.54 2.12 -1.26 -0.60 118.70 121.98 1xtu s GLU 55 Ca -0.05 -0.71 -0.11 0.00 0.36 0.00 0.00 54.97 54.45 1xtu s GLU 55 Cb -0.01 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 31.04 1xtu s GLU 55 CO -0.03 -0.35 1.09 0.95 -0.54 0.00 0.00 175.26 176.38 1xtu s THR 56 N 1.55 3.57 0.66 -1.70 -4.23 0.26 -4.90 115.64 110.84 1xtu s THR 56 Ca 0.04 0.51 0.30 0.00 -1.18 0.00 0.00 61.69 61.36 1xtu s THR 56 Cb -0.16 -3.49 0.31 0.00 1.34 0.00 0.00 72.50 70.50 1xtu s THR 56 CO 0.03 -0.67 1.93 -0.65 -0.54 0.00 0.00 174.62 174.72 1xtu h PRO 57 N -0.65 0.00 -0.39 3.99 0.11 -1.99 0.23 132.00 133.30 1xtu h PRO 57 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.63 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.70 1xtu n LEU 58 N -3.01 0.65 -1.49 2.35 4.77 -1.26 -4.85 117.00 114.15 1xtu n LEU 58 Ca -0.01 -0.32 -0.16 0.00 -0.03 0.00 0.00 56.01 55.49 1xtu n LEU 58 Cb 0.40 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1xtu n LEU 58 CO 0.16 0.14 -0.18 0.61 -1.33 0.00 0.00 177.39 176.79 1xtu n GLY 59 N 0.38 0.83 3.48 -0.72 0.00 0.80 -5.00 105.19 104.96 1xtu n GLY 59 Ca 0.02 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.69 2.69 -0.02 1.61 -7.23 -1.24 -4.93 120.40 108.59 1xtu s VAL 60 Ca 0.00 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1xtu s VAL 60 Cb 0.00 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1xtu s VAL 60 CO 0.00 -0.14 0.02 -0.54 -0.31 0.00 0.00 175.10 174.12 1xtu s LYS 61 N -2.81 2.88 0.05 4.82 1.02 -1.26 -0.58 119.74 123.86 1xtu s LYS 61 Ca 0.23 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.61 1xtu s LYS 61 Cb -0.08 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1xtu s LYS 61 CO 0.12 0.65 0.13 -0.08 -0.92 0.00 0.00 175.35 175.25 1xtu s THR 62 N -1.06 0.13 0.42 2.17 -1.32 0.23 -4.94 115.64 111.28 1xtu s THR 62 Ca 0.19 -1.07 -0.15 0.00 -1.21 0.00 0.00 61.69 59.44 1xtu s THR 62 Cb -0.12 -0.98 -0.08 0.00 -1.51 0.00 0.00 72.50 69.81 1xtu s THR 62 CO 0.09 -0.59 0.85 -0.54 -2.21 0.00 0.00 174.62 172.22 1xtu s LYS 63 N -2.81 3.95 0.24 7.08 1.02 -1.26 -0.33 119.74 127.63 1xtu s LYS 63 Ca -0.03 0.76 -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 -0.06 0.34 0.41 -0.92 0.00 0.00 175.35 175.07 1xtu n GLY 64 N -1.06 2.40 3.49 -3.33 0.00 0.97 -4.87 105.19 102.78 1xtu n GLY 64 Ca 0.05 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.69 2.79 -0.22 1.61 1.01 -1.26 -0.31 120.40 121.33 1xtu s VAL 65 Ca 0.20 -1.66 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 1xtu s VAL 65 Cb -0.01 -2.31 0.10 0.00 0.00 0.00 0.00 36.38 34.16 1xtu s VAL 65 CO 0.14 0.01 0.21 -0.62 0.00 0.00 0.00 175.10 174.84 1xtu s ASP 66 N -2.41 1.69 -1.24 3.32 3.68 -0.79 -4.89 116.67 116.03 1xtu s ASP 66 Ca 0.20 -0.43 -0.15 0.00 2.13 0.00 0.00 52.55 54.30 1xtu s ASP 66 Cb -0.10 0.29 0.14 0.00 -1.45 0.00 0.00 42.92 41.81 1xtu s ASP 66 CO 0.11 -0.35 1.54 -0.38 0.13 0.00 0.00 175.17 176.22 1xtu n ILE 67 N 5.31 4.16 0.02 4.11 5.41 -1.26 -2.18 119.36 134.93 1xtu n ILE 67 Ca -0.05 -4.53 0.11 0.00 1.00 0.00 0.00 62.75 59.28 1xtu n ILE 67 Cb 0.48 -2.43 0.55 0.00 -0.71 0.00 0.00 39.64 37.53 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 4.87 0.93 0.00 1.39 1.35 -1.93 -0.94 112.91 118.58 1xtu h THR 68 Ca 0.36 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1xtu h THR 68 Cb 0.86 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1xtu h THR 68 CO 1.32 0.05 0.18 0.47 -0.25 0.00 0.00 175.52 177.29 1xtu n ASP 69 N -4.47 0.39 0.00 5.36 8.00 -1.26 -1.29 116.55 123.28 1xtu n ASP 69 Ca 0.06 0.62 0.02 0.00 0.71 0.00 0.00 54.79 56.19 1xtu n ASP 69 Cb 0.29 -0.61 0.09 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.07 0.00 -0.28 0.64 4.77 -0.36 0.19 117.00 119.89 1xtu n LEU 70 Ca -0.01 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.40 1xtu n LEU 70 Cb 0.20 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1xtu n LEU 70 CO 0.07 -0.30 0.18 0.59 -1.33 0.00 0.00 177.39 176.60 1xtu n ASN 71 N -1.35 1.43 -2.92 -1.43 3.02 -0.41 -4.54 115.26 109.06 1xtu n ASN 71 Ca 0.02 -1.22 -0.29 0.00 -0.03 0.00 0.00 54.58 53.06 1xtu n ASN 71 Cb 0.03 0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 39.80 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 -0.46 5.04 -4.15 6.41 3.02 0.13 -4.96 115.26 120.28 1xtu n ASN 72 Ca 0.06 -3.70 -0.28 0.00 -0.03 0.00 0.00 54.58 50.63 1xtu n ASN 72 Cb 0.33 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.70 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 -4.73 1.60 -0.15 2.41 1.01 -1.25 0.19 121.20 120.27 1xtu s ILE 73 Ca 0.48 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 1xtu s ILE 73 Cb 0.30 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 41.42 1xtu s ILE 73 CO -0.16 0.46 -0.08 -0.69 0.00 0.00 0.00 174.94 174.46 1xtu s VAL 74 N 0.20 1.25 -0.19 2.92 1.01 -0.74 -1.18 120.40 123.66 1xtu s VAL 74 Ca -0.09 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1xtu s VAL 74 Cb -0.14 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1xtu s VAL 74 CO 0.04 0.28 0.18 -0.63 0.00 0.00 0.00 175.10 174.96 1xtu s ILE 75 N 1.60 5.38 -0.25 2.22 1.01 0.36 -0.86 121.20 130.65 1xtu s ILE 75 Ca 0.03 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 1xtu s ILE 75 Cb -0.14 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1xtu s ILE 75 CO -0.09 0.41 0.10 -0.63 0.00 0.00 0.00 174.94 174.74 1xtu s ILE 76 N 0.47 4.65 -0.36 2.92 1.01 0.28 -1.53 121.20 128.65 1xtu s ILE 76 Ca 0.10 -0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.51 1xtu s ILE 76 Cb -0.12 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 1xtu s ILE 76 CO 0.00 0.33 0.51 0.21 0.00 0.00 0.00 174.94 175.99 1xtu s ASN 77 N 1.47 6.30 0.12 3.58 3.84 -0.07 -3.17 114.94 127.01 1xtu s ASN 77 Ca 0.06 -0.10 0.24 0.00 0.21 0.00 0.00 52.86 53.27 1xtu s ASN 77 Cb -0.15 -2.26 0.93 0.00 -0.55 0.00 0.00 41.25 39.22 1xtu s ASN 77 CO 0.05 -0.50 1.75 -0.38 -2.79 0.00 0.00 177.10 175.23 1xtu n ILE 78 N 5.44 0.56 -1.50 -5.21 5.41 -1.26 -1.53 119.36 121.27 1xtu n ILE 78 Ca -0.05 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1xtu n ILE 78 Cb 0.49 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 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 -1.90 0.00 0.00 1.39 4.77 -1.26 -3.59 117.00 116.41 1xtu n LEU 79 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1xtu n LEU 79 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1xtu n LEU 79 CO 0.24 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.84 1xtu n ARG 80 N -0.62 0.00 0.27 3.23 1.74 -1.26 -1.74 116.66 118.28 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 0.00 0.00 0.94 0.00 -1.02 0.00 0.00 32.46 32.38 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 -0.87 1.48 0.00 7.54 0.00 -1.92 -2.11 119.26 123.39 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 -0.19 -0.31 0.00 0.00 0.00 0.00 179.25 178.75 1xtu h ALA 82 N 1.79 1.27 -0.70 0.00 0.00 -1.67 -3.32 119.26 116.62 1xtu h ALA 82 Ca 0.04 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1xtu h ALA 82 Cb 0.33 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 1xtu h ALA 82 CO -0.00 0.39 -0.55 0.28 0.00 0.00 0.00 179.25 179.36 1xtu h VAL 83 N 0.00 0.01 -0.70 0.00 2.07 -1.54 0.42 116.25 116.52 1xtu h VAL 83 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1xtu h VAL 83 Cb 0.63 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1xtu h VAL 83 CO 0.04 0.00 0.46 -0.65 0.02 0.00 0.00 177.57 177.44 1xtu h PRO 84 N -0.19 0.77 -0.23 1.57 0.11 -1.80 0.89 132.00 133.11 1xtu h PRO 84 Ca 0.13 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.13 1xtu h PRO 84 Cb 0.51 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1xtu h PRO 84 CO -0.77 0.51 -0.13 1.25 -0.21 0.00 0.00 178.00 178.65 1xtu h LEU 85 N 0.79 0.51 -1.06 2.35 5.85 -1.16 -2.48 115.31 120.11 1xtu h LEU 85 Ca 0.29 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1xtu h LEU 85 Cb 0.14 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1xtu h LEU 85 CO -0.09 0.82 0.34 0.58 -0.34 0.00 0.00 178.44 179.75 1xtu h VAL 86 N 0.20 1.23 -0.73 1.05 2.07 0.35 -1.65 116.25 118.77 1xtu h VAL 86 Ca 0.05 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 66.99 1xtu h VAL 86 Cb 0.63 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1xtu h VAL 86 CO 0.04 0.27 0.43 -0.08 0.02 0.00 0.00 177.57 178.24 1xtu h GLU 87 N 1.00 0.77 -0.42 1.57 4.57 -0.68 0.32 114.58 121.70 1xtu h GLU 87 Ca 0.25 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.32 1xtu h GLU 87 Cb 0.10 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1xtu h GLU 87 CO -0.03 0.51 0.03 0.78 -1.18 0.00 0.00 179.01 179.12 1xtu h GLY 88 N 0.79 0.78 0.99 1.92 0.00 -0.92 -2.25 103.07 104.39 1xtu h GLY 88 Ca 0.32 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1xtu h GLY 88 CO -0.17 0.51 0.24 1.41 0.00 0.00 0.00 176.54 178.52 1xtu h LEU 89 N 0.57 0.44 -1.10 3.11 3.38 -0.41 -2.35 115.31 118.95 1xtu h LEU 89 Ca 0.12 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1xtu h LEU 89 Cb 0.44 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1xtu h LEU 89 CO 0.02 0.33 0.61 -0.07 0.09 0.00 0.00 178.44 179.42 1xtu h LEU 90 N 0.50 0.96 -1.86 1.67 3.38 -0.24 0.15 115.31 119.86 1xtu h LEU 90 Ca 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xtu h LEU 90 Cb -0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1xtu h LEU 90 CO -0.03 0.62 -0.14 0.11 0.09 0.00 0.00 178.44 179.09 1xtu h LYS 91 N 1.09 0.00 0.16 1.13 1.79 -0.90 -2.16 116.57 117.67 1xtu h LYS 91 Ca 0.40 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.57 1xtu h LYS 91 Cb 0.17 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1xtu h LYS 91 CO -0.15 0.14 -1.30 0.00 -1.08 0.00 0.00 179.45 177.05 1xtu h ALA 92 N 1.86 0.01 -2.68 3.86 0.00 -0.33 -3.38 119.26 118.59 1xtu h ALA 92 Ca -0.00 -0.84 -0.65 0.00 0.00 0.00 0.00 54.91 53.42 1xtu h ALA 92 Cb 0.32 0.09 -0.39 0.00 0.00 0.00 0.00 17.79 17.80 1xtu h ALA 92 CO 0.02 0.80 -0.36 1.19 0.00 0.00 0.00 179.25 180.90 1xtu n PHE 93 N -3.67 3.56 -0.35 0.00 3.01 -0.28 -4.93 117.46 114.81 1xtu n PHE 93 Ca -0.12 -4.11 0.25 0.00 1.01 0.00 0.00 57.45 54.48 1xtu n PHE 93 Cb 1.03 -0.78 0.50 0.00 -0.01 0.00 0.00 39.48 40.22 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 5.18 0.31 -0.68 -1.08 0.11 -1.73 0.78 132.00 134.89 1xtu h PRO 94 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1xtu h PRO 94 Cb 0.73 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1xtu h PRO 94 CO 0.83 0.21 0.00 1.63 -0.21 0.00 0.00 178.00 180.46 1xtu n LYS 95 N -4.89 3.78 -3.05 1.05 5.02 -1.26 -4.96 118.16 113.84 1xtu n LYS 95 Ca 0.31 -2.30 -0.37 0.00 -2.02 0.00 0.00 58.31 53.93 1xtu n LYS 95 Cb 1.02 -2.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.23 3.42 0.43 7.82 0.00 0.26 -4.73 121.76 126.73 1xtu s ALA 96 Ca 0.40 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 1xtu s ALA 96 Cb 0.30 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1xtu s ALA 96 CO 0.13 0.31 0.69 1.03 0.00 0.00 0.00 175.76 177.91 1xtu s ARG 97 N -1.67 3.49 -0.02 0.00 0.52 -0.32 -4.91 118.95 116.04 1xtu s ARG 97 Ca 0.40 -0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.58 1xtu s ARG 97 Cb -0.19 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.79 1xtu s ARG 97 CO 0.23 -0.07 -0.05 -1.14 0.02 0.00 0.00 175.30 174.29 1xtu s GLN 98 N -4.57 0.52 0.28 3.54 0.74 -1.26 -0.49 119.66 118.42 1xtu s GLN 98 Ca 0.45 -0.14 0.06 0.00 0.05 0.00 0.00 55.36 55.78 1xtu s GLN 98 Cb -0.10 -0.54 -0.06 0.00 1.10 0.00 0.00 33.01 33.41 1xtu s GLN 98 CO 0.41 0.04 -0.05 0.20 -0.55 0.00 0.00 175.29 175.34 1xtu s GLY 99 N 0.28 1.86 -0.02 2.59 0.00 -0.58 -4.57 107.32 106.87 1xtu s GLY 99 Ca -0.03 -1.92 0.02 0.00 0.00 0.00 0.00 44.72 42.79 1xtu s GLY 99 CO -0.00 -1.84 -0.06 -1.34 0.00 0.00 0.00 173.10 169.86 1xtu s VAL 100 N -3.04 0.54 -0.44 1.40 -7.23 0.45 -0.89 120.40 111.19 1xtu s VAL 100 Ca 0.30 -0.23 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 1xtu s VAL 100 Cb 0.04 -0.49 0.13 0.00 0.56 0.00 0.00 36.38 36.62 1xtu s VAL 100 CO 0.12 0.18 0.23 -0.63 -0.31 0.00 0.00 175.10 174.70 1xtu s ILE 101 N 0.24 1.45 -0.45 -0.62 1.01 -0.58 -1.06 121.20 121.19 1xtu s ILE 101 Ca -0.03 -2.56 -0.28 0.00 0.00 0.00 0.00 60.65 57.78 1xtu s ILE 101 Cb -0.07 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1xtu s ILE 101 CO -0.00 -0.88 1.77 -0.83 0.00 0.00 0.00 174.94 174.99 1xtu s GLY 102 N 0.35 0.61 -0.00 6.18 0.00 0.16 -4.31 107.32 110.31 1xtu s GLY 102 Ca 0.17 -0.14 0.07 0.00 0.00 0.00 0.00 44.72 44.82 1xtu s GLY 102 CO 0.00 3.26 -0.22 0.00 0.00 0.00 0.00 173.10 176.14 1xtu s ALA 103 N 7.53 1.84 -0.06 3.20 0.00 -1.24 0.27 121.76 133.31 1xtu s ALA 103 Ca 0.73 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1xtu s ALA 103 Cb -0.17 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.54 1xtu s ALA 103 CO 0.29 0.44 0.09 -1.12 0.00 0.00 0.00 175.76 175.46 1xtu s SER 104 N -0.68 1.14 0.64 0.00 0.01 -0.64 -4.95 113.70 109.23 1xtu s SER 104 Ca 0.09 0.08 -0.14 0.00 1.31 0.00 0.00 55.95 57.29 1xtu s SER 104 Cb -0.09 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 1xtu s SER 104 CO -0.00 -0.26 1.06 0.00 0.41 0.00 0.00 173.24 174.45 1xtu s ARG 105 N 2.20 3.10 -0.30 12.44 1.70 -1.26 -2.56 118.95 134.28 1xtu s ARG 105 Ca 0.04 1.12 -0.21 0.00 -0.47 0.00 0.00 55.73 56.21 1xtu s ARG 105 Cb -0.12 -2.01 -0.01 0.00 -0.57 0.00 0.00 34.95 32.24 1xtu s ARG 105 CO -0.04 -0.98 0.67 0.08 -1.08 0.00 0.00 175.30 173.95 1xtu s VAL 106 N -2.68 4.91 -0.07 4.99 1.01 0.27 -4.92 120.40 123.90 1xtu s VAL 106 Ca 0.62 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.28 1xtu s VAL 106 Cb -0.15 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1xtu s VAL 106 CO 0.44 -0.13 1.48 -1.61 0.00 0.00 0.00 175.10 175.28 1xtu s GLU 107 N 2.67 4.22 0.02 2.72 0.41 -1.26 -4.54 118.70 122.94 1xtu s GLU 107 Ca 0.27 1.99 -0.02 0.00 -0.41 0.00 0.00 54.97 56.80 1xtu s GLU 107 Cb -0.15 -3.81 -0.02 0.00 -1.78 0.00 0.00 34.13 28.38 1xtu s GLU 107 CO 0.11 -0.74 0.01 0.14 -0.49 0.00 0.00 175.26 174.30 1xtu s VAL 108 N 3.43 0.11 -0.39 2.63 -7.23 -1.26 -5.13 120.40 112.56 1xtu s VAL 108 Ca 0.66 -0.95 -0.09 0.00 -1.81 0.00 0.00 61.98 59.79 1xtu s VAL 108 Cb -0.30 -0.43 0.06 0.00 0.56 0.00 0.00 36.38 36.27 1xtu s VAL 108 CO 0.25 -0.52 0.22 -0.62 -0.31 0.00 0.00 175.10 174.11 1xtu s ASP 109 N -1.60 5.59 0.48 4.85 -1.08 -1.26 -4.47 116.67 119.18 1xtu s ASP 109 Ca -0.13 -1.34 0.08 0.00 -0.52 0.00 0.00 52.55 50.64 1xtu s ASP 109 Cb -0.08 -1.97 0.03 0.00 -1.46 0.00 0.00 42.92 39.44 1xtu s ASP 109 CO -0.01 -0.47 0.57 -0.83 0.52 0.00 0.00 175.17 174.95 1xtu s GLY 110 N 1.86 1.98 0.02 2.66 0.00 -0.95 -5.00 107.32 107.88 1xtu s GLY 110 Ca 0.02 -1.82 -0.22 0.00 0.00 0.00 0.00 44.72 42.71 1xtu s GLY 110 CO 0.03 -1.65 1.33 0.50 0.00 0.00 0.00 173.10 173.32 1xtu h LYS 111 N 0.61 0.26 0.00 2.90 1.57 -1.99 -3.44 116.57 116.49 1xtu h LYS 111 Ca -0.37 -0.13 -0.40 0.00 -1.87 0.00 0.00 60.65 57.87 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 0.66 -0.12 0.39 -0.57 0.00 0.00 179.45 180.29 1xtu n GLU 112 N -4.64 0.77 -2.42 3.15 1.02 -1.26 -4.89 120.64 112.37 1xtu n GLU 112 Ca -0.07 -2.51 -0.42 0.00 -0.02 0.00 0.00 57.16 54.14 1xtu n GLU 112 Cb 0.33 0.02 -0.03 0.00 -0.02 0.00 0.00 31.44 31.74 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 -1.91 4.18 0.72 2.62 1.01 -1.26 -4.38 120.40 121.38 1xtu s VAL 113 Ca 0.37 1.50 -0.16 0.00 0.00 0.00 0.00 61.98 63.69 1xtu s VAL 113 Cb -0.03 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1xtu s VAL 113 CO 0.23 -0.02 1.24 -2.65 0.00 0.00 0.00 175.10 173.90 1xtu n PRO 114 N 5.45 0.69 -0.00 2.72 -0.02 -1.26 -4.94 135.00 137.64 1xtu n PRO 114 Ca 0.12 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 61.91 1xtu n PRO 114 Cb 0.46 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 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 -2.47 2.55 -3.57 -0.52 5.02 -1.26 -4.94 118.16 112.97 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 -0.89 -0.06 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.90 -0.53 0.41 4.39 -4.77 -1.26 -4.90 116.67 108.10 1xtu s ASP 116 Ca -0.00 0.73 0.07 0.00 -3.30 0.00 0.00 52.55 50.05 1xtu s ASP 116 Cb 0.02 0.64 -0.08 0.00 -1.09 0.00 0.00 42.92 42.41 1xtu s ASP 116 CO 0.12 -0.39 0.00 -0.04 0.70 0.00 0.00 175.17 175.57 1xtu s MET 117 N -0.71 1.95 -0.26 2.11 -1.94 -1.26 -5.09 119.30 114.10 1xtu s MET 117 Ca -0.04 -2.09 -0.16 0.00 -1.71 0.00 0.00 55.69 51.69 1xtu s MET 117 Cb -0.02 -1.65 -0.03 0.00 2.01 0.00 0.00 34.83 35.14 1xtu s MET 117 CO 0.03 -0.04 0.42 -0.51 -0.01 0.00 0.00 175.02 174.91 1xtu s ASP 118 N -3.71 6.33 -0.06 3.03 1.01 -1.26 -4.89 116.67 117.11 1xtu s ASP 118 Ca 0.35 0.38 0.04 0.00 0.71 0.00 0.00 52.55 54.03 1xtu s ASP 118 Cb 0.09 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1xtu s ASP 118 CO 0.18 -0.21 -0.18 -0.69 0.21 0.00 0.00 175.17 174.48 1xtu s VAL 119 N 2.08 2.71 0.06 -1.27 1.01 -1.26 0.94 120.40 124.67 1xtu s VAL 119 Ca 0.17 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1xtu s VAL 119 Cb -0.16 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1xtu s VAL 119 CO 0.09 0.57 -0.19 -0.72 0.00 0.00 0.00 175.10 174.86 1xtu s TYR 120 N -0.41 1.66 -0.42 5.22 -0.85 -1.06 -4.93 117.35 116.57 1xtu s TYR 120 Ca 0.04 -0.38 -0.18 0.00 -0.52 0.00 0.00 57.07 56.03 1xtu s TYR 120 Cb -0.12 -0.97 0.02 0.00 0.38 0.00 0.00 41.96 41.27 1xtu s TYR 120 CO 0.02 0.10 0.51 0.42 -1.52 0.00 0.00 175.55 175.07 1xtu s ILE 121 N -0.90 5.00 -0.05 -3.49 -1.09 -1.26 -1.62 121.20 117.79 1xtu s ILE 121 Ca 0.06 -0.13 0.13 0.00 -2.23 0.00 0.00 60.65 58.48 1xtu s ILE 121 Cb -0.09 -4.08 -0.18 0.00 -1.58 0.00 0.00 42.46 36.54 1xtu s ILE 121 CO 0.02 -0.45 0.84 0.10 -1.23 0.00 0.00 174.94 174.22 1xtu h TYR 122 N 8.74 0.00 -3.18 3.97 -0.00 -0.56 -3.47 116.97 122.47 1xtu h TYR 122 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.27 1xtu h TYR 122 Cb 1.11 0.00 -0.28 0.00 0.00 0.00 0.00 36.73 37.55 1xtu h TYR 122 CO 0.67 0.84 -0.51 -0.47 -0.00 0.00 0.00 178.16 178.68 1xtu s TYR 123 N -2.74 -0.24 -0.04 0.10 5.04 -1.18 -4.99 117.35 113.31 1xtu s TYR 123 Ca -0.03 0.60 -0.01 0.00 -2.44 0.00 0.00 57.07 55.20 1xtu s TYR 123 Cb 0.08 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.46 1xtu s TYR 123 CO 0.82 -0.16 0.03 0.21 -1.34 0.00 0.00 175.55 175.11 1xtu s LYS 124 N 0.69 0.12 -0.29 4.97 2.20 -1.26 0.35 119.74 126.52 1xtu s LYS 124 Ca -0.05 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 1xtu s LYS 124 Cb -0.06 -0.48 0.18 0.00 -1.51 0.00 0.00 37.83 35.95 1xtu s LYS 124 CO -0.04 -0.23 0.51 0.21 -0.36 0.00 0.00 175.35 175.45 1xtu s LYS 125 N 1.53 0.49 0.14 4.03 2.47 -0.22 -5.01 119.74 123.16 1xtu s LYS 125 Ca -0.03 0.53 0.08 0.00 -1.56 0.00 0.00 55.97 54.99 1xtu s LYS 125 Cb -0.13 0.06 -0.04 0.00 -1.46 0.00 0.00 37.83 36.26 1xtu s LYS 125 CO -0.03 -0.90 -0.20 0.96 0.16 0.00 0.00 175.35 175.35 1xtu s ILE 126 N 2.72 1.79 0.00 5.43 -4.36 -1.26 -0.41 121.20 125.10 1xtu s ILE 126 Ca 0.13 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 1xtu s ILE 126 Cb -0.13 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.87 1xtu s ILE 126 CO -0.25 -0.18 0.00 -2.65 0.24 0.00 0.00 174.94 172.10 1xtu n PRO 127 N 0.67 -0.72 -2.83 0.37 -0.02 -1.26 -4.94 135.00 126.27 1xtu n PRO 127 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.89 1xtu n PRO 127 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.99 1xtu n PRO 127 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xtu s ASP 128 N -1.39 6.56 -0.61 2.55 -1.08 -1.26 -4.98 116.67 116.45 1xtu s ASP 128 Ca 0.00 0.29 -0.22 0.00 -0.52 0.00 0.00 52.55 52.10 1xtu s ASP 128 Cb 0.00 -2.45 0.07 0.00 -1.46 0.00 0.00 42.92 39.08 1xtu s ASP 128 CO 0.00 -0.96 0.88 -0.63 0.52 0.00 0.00 175.17 174.98 1xtu s ILE 129 N 3.62 4.47 -0.49 4.11 1.01 -1.26 -4.98 121.20 127.67 1xtu s ILE 129 Ca 0.37 -0.36 -0.27 0.00 0.00 0.00 0.00 60.65 60.39 1xtu s ILE 129 Cb -0.11 -4.59 -0.01 0.00 0.01 0.00 0.00 42.46 37.76 1xtu s ILE 129 CO 0.23 -1.28 1.76 -0.13 0.00 0.00 0.00 174.94 175.52 1xtu s ARG 130 N 3.68 3.02 0.41 2.79 0.52 -1.26 -4.89 118.95 123.22 1xtu s ARG 130 Ca 0.21 0.92 -0.23 0.00 -0.52 0.00 0.00 55.73 56.11 1xtu s ARG 130 Cb -0.17 -4.27 -0.12 0.00 0.52 0.00 0.00 34.95 30.90 1xtu s ARG 130 CO 0.11 -2.26 0.61 0.00 0.02 0.00 0.00 175.30 173.79 1xtu n ALA 131 N 11.28 -1.31 -0.28 2.13 0.00 -1.25 -0.78 120.51 130.30 1xtu n ALA 131 Ca 0.20 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1xtu n ALA 131 Cb 0.50 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.54 0.00 -0.02 0.00 5.02 -0.25 -4.59 118.16 118.86 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 0.39 -4.24 -0.02 0.00 -0.02 0.00 0.00 35.03 31.14 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 0.22 -2.92 -0.18 0.31 -0.03 -4.42 118.33 109.31 1xtu n VAL 133 Ca 0.00 -0.07 -0.40 0.00 -0.01 0.00 0.00 64.34 63.86 1xtu n VAL 133 Cb 0.00 -0.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.89 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 -4.74 7.45 -0.46 4.52 1.01 0.04 -4.61 116.67 119.88 1xtu s ASP 134 Ca -0.05 1.72 -0.16 0.00 0.71 0.00 0.00 52.55 54.76 1xtu s ASP 134 Cb 0.02 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.47 1xtu s ASP 134 CO 0.08 0.19 0.43 0.20 0.21 0.00 0.00 175.17 176.28 1xtu s ASN 135 N -1.12 6.16 -0.07 0.27 0.01 0.13 -0.06 114.94 120.26 1xtu s ASN 135 Ca 0.37 -1.09 -0.19 0.00 -0.71 0.00 0.00 52.86 51.25 1xtu s ASN 135 Cb -0.24 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 1xtu s ASN 135 CO 0.28 -0.65 0.51 -0.69 -1.51 0.00 0.00 177.10 175.03 1xtu s VAL 136 N 1.90 5.10 -0.23 1.60 1.01 -0.28 -1.79 120.40 127.71 1xtu s VAL 136 Ca 0.07 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.10 1xtu s VAL 136 Cb -0.21 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.36 1xtu s VAL 136 CO 0.09 0.38 -0.14 -0.63 0.00 0.00 0.00 175.10 174.80 1xtu s ILE 137 N 0.22 2.23 -0.22 2.22 1.01 -0.04 0.68 121.20 127.29 1xtu s ILE 137 Ca 0.27 -1.26 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 1xtu s ILE 137 Cb -0.16 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1xtu s ILE 137 CO 0.13 0.24 0.10 -0.63 0.00 0.00 0.00 174.94 174.77 1xtu s ILE 138 N 1.21 4.81 -0.05 2.92 1.01 0.40 -0.55 121.20 130.94 1xtu s ILE 138 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1xtu s ILE 138 Cb -0.17 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 1xtu s ILE 138 CO -0.08 0.38 -0.11 0.00 0.00 0.00 0.00 174.94 175.13 1xtu s ALA 139 N 1.01 2.83 -0.30 9.38 0.00 -1.19 -0.92 121.76 132.57 1xtu s ALA 139 Ca 0.05 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1xtu s ALA 139 Cb -0.14 -1.09 0.16 0.00 0.00 0.00 0.00 23.12 22.05 1xtu s ALA 139 CO 0.03 0.57 0.67 0.34 0.00 0.00 0.00 175.76 177.38 1xtu s ASP 140 N -0.84 -1.17 0.28 0.00 2.15 -0.32 -4.22 116.67 112.55 1xtu s ASP 140 Ca 0.12 1.18 0.03 0.00 0.43 0.00 0.00 52.55 54.31 1xtu s ASP 140 Cb -0.11 2.16 0.69 0.00 -0.30 0.00 0.00 42.92 45.36 1xtu s ASP 140 CO 0.02 -0.22 1.70 -0.65 -0.17 0.00 0.00 175.17 175.85 1xtu h PRO 141 N 7.96 0.41 -5.47 4.34 0.11 -1.87 -3.34 132.00 134.15 1xtu h PRO 141 Ca -0.20 -0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.31 1xtu h PRO 141 Cb 1.13 -0.09 -0.31 0.00 0.11 0.00 0.00 31.00 31.84 1xtu h PRO 141 CO 0.15 0.27 -0.84 -1.64 -0.21 0.00 0.00 178.00 175.73 1xtu s MET 142 N -5.91 1.84 -0.29 1.05 -1.94 -1.26 -0.59 119.30 112.20 1xtu s MET 142 Ca -0.12 -0.65 0.02 0.00 -1.71 0.00 0.00 55.69 53.23 1xtu s MET 142 Cb 0.25 -1.61 0.08 0.00 2.01 0.00 0.00 34.83 35.56 1xtu s MET 142 CO 0.78 0.29 0.01 0.42 -0.01 0.00 0.00 175.02 176.50 1xtu s ILE 143 N -0.06 1.74 0.00 2.53 1.01 -0.89 -5.00 121.20 120.53 1xtu s ILE 143 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.91 1xtu s ILE 143 Cb -0.11 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.21 1xtu s ILE 143 CO 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 174.94 174.56 1xtu n ALA 144 N 4.53 0.00 1.40 9.38 0.00 -1.26 -0.76 120.51 133.80 1xtu n ALA 144 Ca -0.04 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1xtu n ALA 144 Cb 0.43 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.32 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 -1.72 0.00 -0.72 0.00 -2.24 -1.26 -3.28 114.28 105.05 1xtu n THR 145 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1xtu n THR 145 Cb 0.00 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.29 0.00 -0.37 6.98 0.00 -1.26 -4.75 120.51 121.40 1xtu n ALA 146 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1xtu n ALA 146 Cb 0.39 -0.87 0.14 0.00 0.00 0.00 0.00 19.45 19.11 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 1.08 0.20 0.00 0.02 -1.90 0.11 113.55 113.06 1xtu h SER 147 Ca 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1xtu h SER 147 Cb 0.22 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1xtu h SER 147 CO 0.00 0.74 -0.10 0.74 -1.14 0.00 0.00 176.83 177.07 1xtu h THR 148 N 1.25 0.89 -0.63 -2.27 2.02 -1.91 -1.90 112.91 110.38 1xtu h THR 148 Ca 0.40 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.99 1xtu h THR 148 Cb 0.01 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 1xtu h THR 148 CO -0.13 0.14 0.33 0.24 0.37 0.00 0.00 175.52 176.47 1xtu h MET 149 N -0.60 0.59 -0.89 6.66 2.07 -1.88 -1.85 114.93 119.02 1xtu h MET 149 Ca -0.03 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.58 1xtu h MET 149 Cb 0.44 -0.13 -0.05 0.00 -1.87 0.00 0.00 31.60 29.99 1xtu h MET 149 CO 0.05 0.39 0.59 -0.07 1.07 0.00 0.00 176.91 178.93 1xtu h LEU 150 N 0.61 1.02 -0.80 1.22 3.38 -0.76 0.11 115.31 120.09 1xtu h LEU 150 Ca 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1xtu h LEU 150 Cb 0.21 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1xtu h LEU 150 CO -0.20 0.73 0.42 0.50 0.09 0.00 0.00 178.44 179.99 1xtu h LYS 151 N 1.20 1.13 0.12 1.13 1.63 -0.53 0.40 116.57 121.64 1xtu h LYS 151 Ca 0.33 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 1xtu h LYS 151 Cb -0.12 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.30 1xtu h LYS 151 CO -0.08 0.85 -0.06 0.28 -3.45 0.00 0.00 179.45 176.99 1xtu h VAL 152 N 1.12 1.06 -0.63 2.00 2.07 -0.90 -3.00 116.25 117.97 1xtu h VAL 152 Ca 0.28 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1xtu h VAL 152 Cb 0.06 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1xtu h VAL 152 CO -0.04 0.18 0.42 -0.07 0.02 0.00 0.00 177.57 178.08 1xtu h LEU 153 N -0.53 0.47 -1.12 2.57 3.38 -0.54 -1.60 115.31 117.95 1xtu h LEU 153 Ca -0.02 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1xtu h LEU 153 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1xtu h LEU 153 CO 0.03 0.29 0.72 -0.08 0.09 0.00 0.00 178.44 179.49 1xtu h GLU 154 N 0.53 0.00 0.00 1.13 4.81 -0.05 -0.83 114.58 120.16 1xtu h GLU 154 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1xtu h GLU 154 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1xtu h GLU 154 CO -0.09 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 177.34 1xtu n GLU 155 N -2.90 -0.35 0.08 1.92 0.28 -0.63 -4.57 120.64 114.47 1xtu n GLU 155 Ca 0.04 -0.22 -0.14 0.00 -0.16 0.00 0.00 57.16 56.68 1xtu n GLU 155 Cb 0.81 -0.70 -0.14 0.00 1.43 0.00 0.00 31.44 32.84 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 0.64 1.46 -0.49 3.84 2.07 -0.83 -3.22 116.25 119.71 1xtu h VAL 156 Ca 0.00 -3.08 -0.02 0.00 0.82 0.00 0.00 66.70 64.42 1xtu h VAL 156 Cb 0.32 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1xtu h VAL 156 CO 0.00 0.88 0.22 0.58 0.02 0.00 0.00 177.57 179.27 1xtu h VAL 157 N 0.06 1.17 -0.73 2.57 2.07 -1.65 -2.50 116.25 117.23 1xtu h VAL 157 Ca -0.13 -0.51 0.16 0.00 0.82 0.00 0.00 66.70 67.04 1xtu h VAL 157 Cb 1.94 0.56 -0.12 0.00 -1.52 0.00 0.00 31.29 32.15 1xtu h VAL 157 CO 0.18 0.21 0.11 0.11 0.02 0.00 0.00 177.57 178.19 1xtu h LYS 158 N 0.70 0.19 0.00 1.57 1.57 -1.80 0.24 116.57 119.04 1xtu h LYS 158 Ca 0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1xtu h LYS 158 Cb 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1xtu h LYS 158 CO -0.02 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.98 1xtu n ALA 159 N -2.77 1.40 -3.59 3.86 0.00 -0.94 -4.91 120.51 113.56 1xtu n ALA 159 Ca 0.14 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 1xtu n ALA 159 Cb 0.47 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.48 -5.71 -4.71 0.00 5.15 0.85 -3.80 115.26 105.56 1xtu n ASN 160 Ca 0.02 -0.78 -0.29 0.00 -0.60 0.00 0.00 54.58 52.94 1xtu n ASN 160 Cb 0.09 -3.11 0.16 0.00 -0.53 0.00 0.00 39.78 36.39 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 -4.91 0.74 0.10 1.20 0.02 -1.26 -1.09 135.00 129.79 1xtu s PRO 161 Ca 0.17 0.35 -0.19 0.00 0.02 0.00 0.00 61.00 61.36 1xtu s PRO 161 Cb -0.07 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 1xtu s PRO 161 CO 0.85 -2.48 1.62 -0.22 -0.33 0.00 0.00 177.00 176.44 1xtu h LYS 162 N -1.71 0.40 -3.99 5.54 3.64 -0.68 -3.37 116.57 116.41 1xtu h LYS 162 Ca -0.52 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 58.66 1xtu h LYS 162 Cb 1.33 -0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.96 1xtu h LYS 162 CO 0.59 0.47 -0.43 1.03 -2.27 0.00 0.00 179.45 178.84 1xtu s ARG 163 N -5.42 0.96 -0.15 1.90 0.52 -1.15 -4.94 118.95 110.67 1xtu s ARG 163 Ca -0.14 -1.15 -0.03 0.00 -0.52 0.00 0.00 55.73 53.89 1xtu s ARG 163 Cb 0.08 0.33 0.05 0.00 0.52 0.00 0.00 34.95 35.93 1xtu s ARG 163 CO 0.73 -0.31 0.04 0.42 0.02 0.00 0.00 175.30 176.19 1xtu s ILE 164 N -3.94 0.34 -0.08 1.52 1.01 -1.26 -1.13 121.20 117.67 1xtu s ILE 164 Ca 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 1xtu s ILE 164 Cb 0.05 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1xtu s ILE 164 CO -0.04 -0.09 0.09 -0.31 0.00 0.00 0.00 174.94 174.59 1xtu s TYR 165 N 1.95 3.41 -0.06 3.97 1.51 0.21 -1.42 117.35 126.93 1xtu s TYR 165 Ca 0.01 0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.48 1xtu s TYR 165 Cb -0.15 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1xtu s TYR 165 CO -0.07 0.62 -0.21 0.42 -1.11 0.00 0.00 175.55 175.20 1xtu s ILE 166 N -1.05 2.45 -0.07 2.71 1.01 0.09 -0.46 121.20 125.89 1xtu s ILE 166 Ca 0.17 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1xtu s ILE 166 Cb -0.12 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1xtu s ILE 166 CO 0.07 0.57 -0.11 -0.69 0.00 0.00 0.00 174.94 174.78 1xtu s VAL 167 N -0.34 1.08 0.15 2.92 1.01 -0.09 -0.02 120.40 125.12 1xtu s VAL 167 Ca 0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 1xtu s VAL 167 Cb -0.12 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1xtu s VAL 167 CO 0.02 0.35 0.29 -0.94 0.00 0.00 0.00 175.10 174.82 1xtu s SER 168 N 0.81 0.02 -0.14 3.32 1.04 -0.73 -1.18 113.70 116.84 1xtu s SER 168 Ca -0.12 -0.78 -0.20 0.00 0.48 0.00 0.00 55.95 55.33 1xtu s SER 168 Cb -0.15 0.43 -0.25 0.00 0.10 0.00 0.00 66.02 66.15 1xtu s SER 168 CO 0.02 -0.88 0.49 0.40 0.98 0.00 0.00 173.24 174.26 1xtu h ILE 169 N 2.54 1.13 -3.75 -1.02 1.08 -1.01 -3.18 117.51 113.30 1xtu h ILE 169 Ca -0.32 -2.33 -0.32 0.00 -0.39 0.00 0.00 64.86 61.51 1xtu h ILE 169 Cb 1.23 2.69 -0.30 0.00 -3.07 0.00 0.00 36.82 37.37 1xtu h ILE 169 CO 0.49 0.58 -0.75 -0.63 -0.69 0.00 0.00 178.15 177.14 1xtu s ILE 170 N -2.40 0.29 0.01 -0.67 1.01 -0.92 -2.00 121.20 116.53 1xtu s ILE 170 Ca -0.22 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1xtu s ILE 170 Cb 0.04 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 1xtu s ILE 170 CO 0.70 0.11 -0.11 -0.44 0.00 0.00 0.00 174.94 175.20 1xtu s SER 171 N 0.22 1.30 0.44 3.58 0.01 -0.75 -2.09 113.70 116.40 1xtu s SER 171 Ca -0.02 -0.31 -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 65.97 1xtu s SER 171 CO -0.00 0.06 0.96 -0.94 0.41 0.00 0.00 173.24 173.73 1xtu s SER 172 N -0.66 6.87 0.35 2.44 1.04 0.06 -1.28 113.70 122.51 1xtu s SER 172 Ca 0.02 1.70 0.08 0.00 0.48 0.00 0.00 55.95 58.22 1xtu s SER 172 Cb -0.06 -2.54 0.78 0.00 0.10 0.00 0.00 66.02 64.31 1xtu s SER 172 CO 0.00 -0.41 1.87 -0.08 0.98 0.00 0.00 173.24 175.60 1xtu h GLU 173 N 1.79 0.71 -0.00 4.02 4.81 -1.33 -0.43 114.58 124.15 1xtu h GLU 173 Ca -0.49 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1xtu h GLU 173 Cb 1.18 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1xtu h GLU 173 CO 0.61 0.47 0.00 -0.92 -0.73 0.00 0.00 179.01 178.44 1xtu h TYR 174 N 0.73 0.00 0.02 0.92 3.20 -1.84 -2.14 116.97 117.86 1xtu h TYR 174 Ca 0.45 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.32 1xtu h TYR 174 Cb 0.68 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1xtu h TYR 174 CO -0.00 0.12 -0.01 0.78 -1.64 0.00 0.00 178.16 177.41 1xtu h GLY 175 N -0.11 -0.03 0.28 1.82 0.00 -1.19 0.05 103.07 103.89 1xtu h GLY 175 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 47.33 47.47 1xtu h GLY 175 CO -0.00 -0.01 0.39 -2.08 0.00 0.00 0.00 176.54 174.84 1xtu h VAL 176 N -0.06 0.75 -0.17 4.60 2.07 -1.12 0.25 116.25 122.56 1xtu h VAL 176 Ca -0.00 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 1xtu h VAL 176 Cb 0.05 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1xtu h VAL 176 CO 0.00 0.11 -0.44 0.78 0.02 0.00 0.00 177.57 178.04 1xtu h ASN 177 N 0.59 0.45 -0.05 0.57 2.35 -0.99 -1.91 115.58 116.59 1xtu h ASN 177 Ca 0.42 -0.21 -0.16 0.00 -0.55 0.00 0.00 56.30 55.80 1xtu h ASN 177 Cb 0.56 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1xtu h ASN 177 CO -0.34 0.84 -0.53 0.50 -1.65 0.00 0.00 177.43 176.25 1xtu h LYS 178 N 0.35 0.63 0.21 0.81 3.64 0.43 -2.93 116.57 119.71 1xtu h LYS 178 Ca 0.02 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1xtu h LYS 178 Cb 0.92 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1xtu h LYS 178 CO 0.08 1.00 -0.10 0.82 -2.27 0.00 0.00 179.45 178.98 1xtu h ILE 179 N 0.49 0.38 0.00 2.00 2.04 -0.90 -3.22 117.51 118.30 1xtu h ILE 179 Ca 0.01 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1xtu h ILE 179 Cb 1.08 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1xtu h ILE 179 CO 0.10 0.11 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 1xtu h LEU 180 N -1.01 0.00 0.00 1.44 3.38 -1.48 0.17 115.31 117.82 1xtu h LEU 180 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xtu h LEU 180 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xtu h LEU 180 CO 0.05 0.00 -0.94 0.77 0.09 0.00 0.00 178.44 178.40 1xtu h SER 181 N 0.00 0.00 0.22 -0.43 4.64 -1.62 -2.49 113.55 113.87 1xtu h SER 181 Ca 0.00 -0.02 -0.34 0.00 -0.47 0.00 0.00 61.79 60.95 1xtu h SER 181 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.14 1xtu h SER 181 CO 0.00 0.01 -2.05 1.17 -0.87 0.00 0.00 176.83 175.09 1xtu n LYS 182 N -2.63 0.68 -3.26 4.77 3.00 -0.41 -4.63 118.16 115.68 1xtu n LYS 182 Ca 0.00 0.19 -0.25 0.00 -0.00 0.00 0.00 58.31 58.25 1xtu n LYS 182 Cb 0.54 -1.67 -0.08 0.00 0.00 0.00 0.00 35.03 33.83 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 -3.08 0.20 0.29 5.64 4.02 0.48 -4.97 117.16 119.73 1xtu n TYR 183 Ca -0.28 -3.63 0.15 0.00 -0.01 0.00 0.00 57.90 54.13 1xtu n TYR 183 Cb 1.07 -0.32 0.75 0.00 -0.02 0.00 0.00 39.34 40.82 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 4.23 0.00 0.00 -0.72 0.11 -1.66 -1.41 132.00 132.55 1xtu h PRO 184 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1xtu h PRO 184 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1xtu h PRO 184 CO 0.51 0.00 -0.17 1.97 -0.21 0.00 0.00 178.00 180.10 1xtu n PHE 185 N -3.01 0.08 -2.24 0.65 1.16 -1.26 -3.15 117.46 109.69 1xtu n PHE 185 Ca 0.00 0.02 -0.40 0.00 -1.87 0.00 0.00 57.45 55.21 1xtu n PHE 185 Cb 0.47 -0.46 -0.02 0.00 -1.61 0.00 0.00 39.48 37.86 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 -3.01 3.00 -0.54 1.97 1.01 -0.53 -4.57 121.20 118.52 1xtu s ILE 186 Ca 0.13 0.96 -0.18 0.00 0.00 0.00 0.00 60.65 61.56 1xtu s ILE 186 Cb 0.18 -3.59 0.09 0.00 0.01 0.00 0.00 42.46 39.15 1xtu s ILE 186 CO 0.59 0.19 0.57 -0.31 0.00 0.00 0.00 174.94 175.99 1xtu s TYR 187 N -1.21 3.12 -0.34 3.97 2.02 -0.51 -1.17 117.35 123.22 1xtu s TYR 187 Ca 0.50 -0.95 -0.16 0.00 -0.37 0.00 0.00 57.07 56.10 1xtu s TYR 187 Cb -0.36 -3.69 -0.01 0.00 -0.40 0.00 0.00 41.96 37.50 1xtu s TYR 187 CO 0.47 -1.07 0.40 -1.17 -1.57 0.00 0.00 175.55 172.60 1xtu s LEU 188 N 2.19 4.41 -0.13 -1.29 2.96 0.58 -0.73 118.68 126.67 1xtu s LEU 188 Ca 0.09 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1xtu s LEU 188 Cb -0.25 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1xtu s LEU 188 CO 0.07 -0.37 0.03 -0.36 -1.32 0.00 0.00 176.35 174.40 1xtu s PHE 189 N 2.10 3.22 -0.02 5.38 0.40 0.98 0.74 117.98 130.79 1xtu s PHE 189 Ca 0.13 0.11 -0.22 0.00 -0.60 0.00 0.00 56.93 56.35 1xtu s PHE 189 Cb -0.16 -1.93 0.05 0.00 0.51 0.00 0.00 43.02 41.48 1xtu s PHE 189 CO 0.12 0.31 0.48 -0.08 0.70 0.00 0.00 175.22 176.75 1xtu s THR 190 N -0.26 0.03 0.07 0.64 -1.32 0.37 -1.77 115.64 113.40 1xtu s THR 190 Ca 0.07 -0.27 0.06 0.00 -1.21 0.00 0.00 61.69 60.34 1xtu s THR 190 Cb -0.12 -0.83 -0.23 0.00 -1.51 0.00 0.00 72.50 69.81 1xtu s THR 190 CO 0.02 -0.15 1.09 0.58 -2.21 0.00 0.00 174.62 173.95 1xtu h VAL 191 N 3.35 1.45 -2.48 5.08 2.07 -1.38 0.79 116.25 125.13 1xtu h VAL 191 Ca -0.29 -3.17 -0.08 0.00 0.82 0.00 0.00 66.70 63.98 1xtu h VAL 191 Cb 1.17 2.76 -0.19 0.00 -1.52 0.00 0.00 31.29 33.51 1xtu h VAL 191 CO 0.40 0.85 0.01 0.00 0.02 0.00 0.00 177.57 178.85 1xtu s ALA 192 N -2.67 -1.36 -0.28 1.67 0.00 -0.85 -4.36 121.76 113.91 1xtu s ALA 192 Ca -0.02 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 1xtu s ALA 192 Cb 0.09 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.34 1xtu s ALA 192 CO 0.83 -0.35 -0.04 0.42 0.00 0.00 0.00 175.76 176.62 1xtu s ILE 193 N -1.43 2.76 0.29 0.00 1.01 -1.26 -1.80 121.20 120.77 1xtu s ILE 193 Ca -0.11 -1.42 -0.14 0.00 0.00 0.00 0.00 60.65 58.98 1xtu s ILE 193 Cb -0.02 -2.58 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 1xtu s ILE 193 CO 0.06 -0.06 0.69 -1.81 0.00 0.00 0.00 174.94 173.83 1xtu s ASP 194 N 1.22 6.77 0.08 3.58 1.01 -0.41 -4.82 116.67 124.11 1xtu s ASP 194 Ca -0.06 1.22 -0.24 0.00 0.71 0.00 0.00 52.55 54.18 1xtu s ASP 194 Cb -0.20 -2.35 -0.16 0.00 1.01 0.00 0.00 42.92 41.23 1xtu s ASP 194 CO -0.02 -0.15 1.69 1.55 0.21 0.00 0.00 175.17 178.44 1xtu h PRO 195 N 2.46 -0.12 -4.90 8.23 0.13 -1.89 -0.74 132.00 135.17 1xtu h PRO 195 Ca -0.48 0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 1xtu h PRO 195 Cb 1.18 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1xtu h PRO 195 CO 0.66 -0.05 -0.59 -1.83 -0.23 0.00 0.00 178.00 175.96 1xtu s GLU 196 N -6.03 1.49 0.19 0.86 -1.05 -1.21 -4.36 118.70 108.59 1xtu s GLU 196 Ca -0.14 -1.83 0.11 0.00 -0.15 0.00 0.00 54.97 52.97 1xtu s GLU 196 Cb 0.05 -0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.46 1xtu s GLU 196 CO 0.65 -0.35 -0.23 -0.51 0.95 0.00 0.00 175.26 175.77 1xtu s LEU 197 N -3.35 2.44 0.00 1.83 1.43 -1.26 -0.13 118.68 119.65 1xtu s LEU 197 Ca 0.37 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 1xtu s LEU 197 Cb 0.07 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.21 1xtu s LEU 197 CO 0.15 0.10 0.39 -0.46 0.23 0.00 0.00 176.35 176.76 1xtu n ASN 198 N 0.23 0.95 0.31 2.29 0.23 -0.43 -4.87 115.26 113.97 1xtu n ASN 198 Ca -0.12 -1.70 0.19 0.00 -0.53 0.00 0.00 54.58 52.42 1xtu n ASN 198 Cb 0.56 -0.22 0.96 0.00 -2.08 0.00 0.00 39.78 39.01 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 0.00 0.00 0.29 0.53 2.35 -1.86 -1.09 115.58 115.79 1xtu h ASN 199 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1xtu h ASN 199 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1xtu h ASN 199 CO 0.18 0.02 -0.44 0.29 -1.65 0.00 0.00 177.43 175.83 1xtu n LYS 200 N -3.19 0.49 -0.93 0.81 5.02 -1.26 -2.25 118.16 116.85 1xtu n LYS 200 Ca -0.02 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 1xtu n LYS 200 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.42 1.20 3.70 0.72 0.00 -0.41 -4.53 105.19 107.28 1xtu n GLY 201 Ca 0.09 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.13 3.12 0.09 1.61 1.51 -1.26 -4.78 117.35 115.52 1xtu s TYR 202 Ca 0.00 0.11 -0.30 0.00 -1.01 0.00 0.00 57.07 55.87 1xtu s TYR 202 Cb 0.00 -1.69 -0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1xtu s TYR 202 CO 0.00 0.47 1.18 0.42 -1.11 0.00 0.00 175.55 176.52 1xtu s ILE 203 N -1.07 3.95 -0.12 2.71 1.01 -1.26 -1.31 121.20 125.10 1xtu s ILE 203 Ca 0.19 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.32 1xtu s ILE 203 Cb -0.12 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.42 1xtu s ILE 203 CO 0.10 0.15 -0.20 -0.76 0.00 0.00 0.00 174.94 174.23 1xtu s LEU 204 N 0.68 2.29 0.22 2.97 1.43 0.82 -2.39 118.68 124.70 1xtu s LEU 204 Ca 0.57 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1xtu s LEU 204 Cb -0.30 -1.48 0.20 0.00 0.03 0.00 0.00 46.19 44.63 1xtu s LEU 204 CO 0.31 0.13 1.74 -0.65 0.23 0.00 0.00 176.35 178.11 1xtu h PRO 205 N 6.96 1.04 0.00 1.29 0.11 -1.95 -3.21 132.00 136.24 1xtu h PRO 205 Ca -0.26 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xtu h PRO 205 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xtu h PRO 205 CO 0.52 0.93 0.00 0.41 -0.21 0.00 0.00 178.00 179.66 1xtu n GLY 206 N -0.69 1.02 0.53 -0.55 0.00 -1.00 -4.56 105.19 99.93 1xtu n GLY 206 Ca 0.05 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.04 0.00 0.00 -0.00 0.00 0.00 56.01 54.97 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 0.73 0.00 0.61 -0.00 0.00 0.00 177.39 178.73 1xtu n GLY 208 N 0.01 -1.75 3.60 1.47 0.00 -1.26 -4.79 105.19 102.46 1xtu n GLY 208 Ca -0.01 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 0.21 1.61 2.15 -1.26 -4.93 116.67 117.05 1xtu s ASP 209 Ca 0.00 0.48 -0.10 0.00 0.43 0.00 0.00 52.55 53.35 1xtu s ASP 209 Cb 0.00 -2.40 0.30 0.00 -0.30 0.00 0.00 42.92 40.52 1xtu s ASP 209 CO 0.00 -0.68 1.67 0.00 -0.17 0.00 0.00 175.17 175.98 1xtu h ALA 210 N 8.34 0.63 -0.44 3.66 0.00 -1.98 0.19 119.26 129.66 1xtu h ALA 210 Ca -0.25 0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xtu h ALA 210 Cb 1.10 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1xtu h ALA 210 CO 0.90 -0.38 0.18 0.78 0.00 0.00 0.00 179.25 180.72 1xtu h GLY 211 N 0.14 0.59 0.98 0.00 0.00 -1.94 -0.85 103.07 101.99 1xtu h GLY 211 Ca 0.33 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 1xtu h GLY 211 CO -0.51 0.05 -0.16 -1.80 0.00 0.00 0.00 176.54 174.12 1xtu h ASP 212 N 0.36 0.78 0.29 0.19 1.82 -1.67 0.15 116.42 118.34 1xtu h ASP 212 Ca 0.20 -0.40 -0.01 0.00 -0.39 0.00 0.00 57.03 56.43 1xtu h ASP 212 Cb 0.17 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 1xtu h ASP 212 CO -0.19 1.00 -0.07 0.03 -1.61 0.00 0.00 179.24 178.41 1xtu h ARG 213 N 0.55 0.00 0.01 0.28 2.47 -0.32 0.31 114.38 117.68 1xtu h ARG 213 Ca 0.08 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.43 1xtu h ARG 213 Cb 0.70 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.95 1xtu h ARG 213 CO 0.05 0.07 -2.37 0.00 0.56 0.00 0.00 179.97 178.28 1xtu n ALA 214 N -2.24 1.43 -0.05 0.04 0.00 -0.35 -3.77 120.51 115.57 1xtu n ALA 214 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1xtu n ALA 214 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -3.05 0.00 1.88 0.00 3.01 0.51 -4.68 117.46 115.13 1xtu n PHE 215 Ca -0.38 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.23 1xtu n PHE 215 Cb 1.07 0.00 0.89 0.00 -0.01 0.00 0.00 39.48 41.43 1xtu n PHE 215 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18