#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cht s ILE 3 N 0.00 1.36 0.01 1.12 -4.36 -1.26 -1.03 121.20 117.04 2cht s ILE 3 Ca 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.66 2cht s ILE 3 Cb 0.00 -1.13 -0.01 0.00 1.25 0.00 0.00 42.46 42.57 2cht s ILE 3 CO 0.00 0.38 -0.03 -0.13 0.24 0.00 0.00 174.94 175.41 2cht s ARG 4 N -0.39 0.25 0.30 0.37 0.52 0.08 -4.94 118.95 115.14 2cht s ARG 4 Ca 0.06 -0.41 -0.15 0.00 -0.52 0.00 0.00 55.73 54.71 2cht s ARG 4 Cb -0.07 -0.02 -0.09 0.00 0.52 0.00 0.00 34.95 35.29 2cht s ARG 4 CO -0.01 -0.01 0.72 0.20 0.02 0.00 0.00 175.30 176.22 2cht s GLY 5 N -0.91 2.37 -0.06 -3.53 0.00 -1.26 -0.51 107.32 103.42 2cht s GLY 5 Ca -0.09 0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.70 2cht s GLY 5 CO -0.00 0.25 -0.18 -0.42 0.00 0.00 0.00 173.10 172.75 2cht s ILE 6 N -1.90 1.52 -0.02 0.90 1.01 0.12 -4.93 121.20 117.91 2cht s ILE 6 Ca 0.52 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.47 2cht s ILE 6 Cb -0.11 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2cht s ILE 6 CO 0.18 0.44 -0.17 -0.13 0.00 0.00 0.00 174.94 175.26 2cht s ARG 7 N 0.18 2.34 0.08 2.79 1.81 -1.26 -0.16 118.95 124.74 2cht s ARG 7 Ca -0.08 -0.80 -0.05 0.00 -1.72 0.00 0.00 55.73 53.08 2cht s ARG 7 Cb -0.13 -2.29 -0.02 0.00 -0.45 0.00 0.00 34.95 32.06 2cht s ARG 7 CO 0.04 0.59 0.10 0.20 -0.68 0.00 0.00 175.30 175.55 2cht s GLY 8 N -0.91 0.32 -0.05 -3.53 0.00 -0.88 -1.84 107.32 100.43 2cht s GLY 8 Ca 0.12 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 43.74 2cht s GLY 8 CO 0.02 -1.04 0.43 0.00 0.00 0.00 0.00 173.10 172.51 2cht s ALA 9 N -3.90 -1.10 0.31 3.20 0.00 0.45 -1.38 121.76 119.34 2cht s ALA 9 Ca 0.08 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 2cht s ALA 9 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2cht s ALA 9 CO -0.09 -0.28 0.53 -0.08 0.00 0.00 0.00 175.76 175.84 2cht s THR 10 N -1.06 0.00 0.01 0.00 -1.32 -0.57 -0.51 115.64 112.20 2cht s THR 10 Ca -0.11 -1.41 0.03 0.00 -1.21 0.00 0.00 61.69 58.99 2cht s THR 10 Cb -0.04 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.44 2cht s THR 10 CO 0.05 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 172.78 2cht s THR 11 N -3.33 0.77 0.11 5.08 -4.23 -1.26 -0.86 115.64 111.93 2cht s THR 11 Ca 0.24 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 2cht s THR 11 Cb -0.01 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.10 2cht s THR 11 CO 0.14 0.05 0.21 0.68 -0.54 0.00 0.00 174.62 175.16 2cht s VAL 12 N -0.56 5.14 -0.07 2.29 -7.23 0.25 -4.80 120.40 115.43 2cht s VAL 12 Ca 0.01 -0.64 -0.24 0.00 -1.81 0.00 0.00 61.98 59.30 2cht s VAL 12 Cb -0.06 -3.57 -0.29 0.00 0.56 0.00 0.00 36.38 33.02 2cht s VAL 12 CO 0.00 0.02 0.88 -0.08 -0.31 0.00 0.00 175.10 175.61 2cht h GLU 13 N 2.67 0.21 -4.70 4.82 4.57 -1.92 -3.45 114.58 116.78 2cht h GLU 13 Ca -0.47 -0.33 -0.38 0.00 -1.18 0.00 0.00 59.36 57.00 2cht h GLU 13 Cb 1.18 0.12 -0.28 0.00 -0.16 0.00 0.00 28.75 29.61 2cht h GLU 13 CO 0.70 1.14 -0.77 1.03 -1.18 0.00 0.00 179.01 179.93 2cht s ARG 14 N -2.47 0.69 -0.97 1.92 0.52 -1.26 -5.06 118.95 112.33 2cht s ARG 14 Ca -0.15 -0.35 -0.24 0.00 -0.52 0.00 0.00 55.73 54.47 2cht s ARG 14 Cb -0.00 -0.66 -0.01 0.00 0.52 0.00 0.00 34.95 34.80 2cht s ARG 14 CO 0.78 0.18 1.75 0.34 0.02 0.00 0.00 175.30 178.37 2cht s ASP 15 N -0.33 5.71 -0.06 0.23 2.15 -1.26 -4.61 116.67 118.49 2cht s ASP 15 Ca 0.02 -1.05 -0.12 0.00 0.43 0.00 0.00 52.55 51.84 2cht s ASP 15 Cb -0.04 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2cht s ASP 15 CO -0.00 -2.24 0.28 0.28 -0.17 0.00 0.00 175.17 173.32 2cht s THR 16 N 7.99 0.03 0.27 1.71 -1.32 -1.26 -4.73 115.64 118.33 2cht s THR 16 Ca 0.60 -0.26 -0.07 0.00 -1.21 0.00 0.00 61.69 60.76 2cht s THR 16 Cb -0.04 -0.49 0.39 0.00 -1.51 0.00 0.00 72.50 70.86 2cht s THR 16 CO -0.04 -0.14 1.58 -0.08 -2.21 0.00 0.00 174.62 173.73 2cht h GLU 17 N 4.85 0.01 -0.73 7.08 4.81 -1.90 0.13 114.58 128.83 2cht h GLU 17 Ca -0.28 -0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.11 2cht h GLU 17 Cb 1.19 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 2cht h GLU 17 CO 0.36 0.01 0.05 1.49 -0.73 0.00 0.00 179.01 180.18 2cht h GLU 18 N 0.01 0.13 0.08 1.92 4.22 -1.96 -1.86 114.58 117.13 2cht h GLU 18 Ca 0.47 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.90 2cht h GLU 18 Cb 0.79 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2cht h GLU 18 CO -0.90 0.09 -0.04 1.49 -2.18 0.00 0.00 179.01 177.47 2cht h GLU 19 N 0.14 -0.11 0.42 1.92 4.57 -1.13 -2.86 114.58 117.53 2cht h GLU 19 Ca 0.40 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.58 2cht h GLU 19 Cb 0.71 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 2cht h GLU 19 CO -0.61 0.38 -0.44 0.82 -1.18 0.00 0.00 179.01 177.98 2cht h ILE 20 N -0.93 0.00 -0.74 2.32 2.04 -0.95 -0.54 117.51 118.71 2cht h ILE 20 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2cht h ILE 20 Cb 0.54 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2cht h ILE 20 CO 0.02 0.00 0.48 -0.07 0.00 0.00 0.00 178.15 178.58 2cht h LEU 21 N -0.86 0.74 -0.52 1.44 3.38 -1.50 0.39 115.31 118.38 2cht h LEU 21 Ca -0.05 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2cht h LEU 21 Cb 0.75 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2cht h LEU 21 CO -0.06 0.49 -0.04 -0.61 0.09 0.00 0.00 178.44 178.32 2cht h GLN 22 N 0.85 0.94 -0.07 1.13 4.15 -1.24 -0.66 115.11 120.21 2cht h GLN 22 Ca 0.30 -0.32 -0.19 0.00 0.77 0.00 0.00 58.65 59.22 2cht h GLN 22 Cb 0.13 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 2cht h GLN 22 CO -0.09 0.98 -0.75 0.87 -1.93 0.00 0.00 178.83 177.90 2cht h LYS 23 N 0.80 0.40 0.07 1.69 1.79 0.08 -2.76 116.57 118.65 2cht h LYS 23 Ca 0.14 -0.34 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2cht h LYS 23 Cb 0.58 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2cht h LYS 23 CO 0.03 0.98 -0.04 1.15 -1.08 0.00 0.00 179.45 180.50 2cht h THR 24 N 0.27 1.21 -0.74 -0.16 2.02 -0.15 -2.10 112.91 113.26 2cht h THR 24 Ca -0.03 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2cht h THR 24 Cb 1.33 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 69.64 2cht h THR 24 CO 0.13 0.28 0.47 0.50 0.37 0.00 0.00 175.52 177.27 2cht h LYS 25 N -0.64 0.99 0.19 6.66 3.64 -1.21 -0.94 116.57 125.25 2cht h LYS 25 Ca -0.01 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2cht h LYS 25 Cb 0.53 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2cht h LYS 25 CO 0.02 0.68 -0.09 1.96 -2.27 0.00 0.00 179.45 179.74 2cht h GLN 26 N 1.02 -0.24 -0.63 1.90 4.20 -1.46 -1.17 115.11 118.73 2cht h GLN 26 Ca 0.27 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.01 2cht h GLN 26 Cb -0.08 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2cht h GLN 26 CO -0.05 -0.15 0.41 1.25 -0.67 0.00 0.00 178.83 179.61 2cht h LEU 27 N -0.26 0.69 -0.91 1.46 5.85 -0.57 -1.60 115.31 119.96 2cht h LEU 27 Ca -0.03 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2cht h LEU 27 Cb 0.20 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2cht h LEU 27 CO 0.04 0.49 0.42 -0.07 -0.34 0.00 0.00 178.44 178.98 2cht h LEU 28 N 0.82 1.08 -0.92 2.25 3.38 -1.17 -1.49 115.31 119.26 2cht h LEU 28 Ca 0.24 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2cht h LEU 28 Cb -0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2cht h LEU 28 CO -0.07 0.90 0.05 -0.33 0.09 0.00 0.00 178.44 179.09 2cht h GLU 29 N 1.19 0.84 0.00 1.13 5.08 -0.52 -0.18 114.58 122.13 2cht h GLU 29 Ca 0.29 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2cht h GLU 29 Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2cht h GLU 29 CO -0.04 0.81 -0.48 -0.22 -1.00 0.00 0.00 179.01 178.08 2cht h LYS 30 N 0.80 0.00 -0.08 2.33 1.63 -0.92 0.28 116.57 120.60 2cht h LYS 30 Ca 0.16 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2cht h LYS 30 Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2cht h LYS 30 CO 0.01 0.48 -0.23 0.82 -3.45 0.00 0.00 179.45 177.09 2cht h ILE 31 N 0.00 1.41 -0.12 2.00 2.04 -0.81 -1.69 117.51 120.35 2cht h ILE 31 Ca -0.00 -1.57 0.02 0.00 1.00 0.00 0.00 64.86 64.30 2cht h ILE 31 Cb 1.03 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 2cht h ILE 31 CO 0.06 0.45 0.01 0.40 0.00 0.00 0.00 178.15 179.07 2cht h ILE 32 N -0.18 0.94 0.14 -0.67 2.04 -0.95 -1.41 117.51 117.42 2cht h ILE 32 Ca -0.00 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2cht h ILE 32 Cb 0.84 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2cht h ILE 32 CO 0.05 0.01 -0.53 -0.08 0.00 0.00 0.00 178.15 177.60 2cht h GLU 33 N 0.06 -0.74 0.17 2.37 4.81 -0.97 0.43 114.58 120.71 2cht h GLU 33 Ca 0.05 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2cht h GLU 33 Cb 0.05 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2cht h GLU 33 CO -0.08 -0.50 -0.08 0.93 -0.73 0.00 0.00 179.01 178.56 2cht h GLU 34 N -0.77 -0.22 -0.01 1.92 4.39 -1.25 -3.26 114.58 115.39 2cht h GLU 34 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2cht h GLU 34 Cb 0.77 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2cht h GLU 34 CO -0.28 0.01 -0.15 0.09 -1.16 0.00 0.00 179.01 177.52 2cht n ASN 35 N -5.10 0.83 -3.06 1.42 3.02 -0.54 -4.94 115.26 106.88 2cht n ASN 35 Ca -0.09 -0.84 -0.14 0.00 -0.03 0.00 0.00 54.58 53.48 2cht n ASN 35 Cb 0.18 0.03 0.07 0.00 -0.61 0.00 0.00 39.78 39.45 2cht n ASN 35 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2cht n HIS 36 N -0.68 -2.00 -2.96 3.10 8.25 0.15 -4.92 115.22 116.16 2cht n HIS 36 Ca 0.14 0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 57.97 2cht n HIS 36 Cb 0.31 -4.33 -0.05 0.00 1.12 0.00 0.00 29.99 27.04 2cht n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2cht s THR 37 N -3.32 4.79 -0.10 1.59 2.01 -1.03 -5.00 115.64 114.58 2cht s THR 37 Ca 0.18 1.11 -0.23 0.00 0.31 0.00 0.00 61.69 63.06 2cht s THR 37 Cb -0.02 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2cht s THR 37 CO 0.64 -0.27 0.68 -0.54 -0.69 0.00 0.00 174.62 174.43 2cht s LYS 38 N 2.95 4.39 0.54 4.92 -0.14 -1.26 -4.94 119.74 126.21 2cht s LYS 38 Ca 0.32 0.81 0.29 0.00 -1.36 0.00 0.00 55.97 56.02 2cht s LYS 38 Cb -0.14 -3.47 1.57 0.00 -1.68 0.00 0.00 37.83 34.11 2cht s LYS 38 CO 0.13 0.01 1.86 -1.00 -0.76 0.00 0.00 175.35 175.59 2cht h PRO 39 N 6.89 0.00 -0.40 -1.68 0.13 -1.94 0.56 132.00 135.55 2cht h PRO 39 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2cht h PRO 39 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2cht h PRO 39 CO 0.76 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.68 2cht n GLU 40 N -2.67 2.19 0.00 0.86 0.00 -1.26 -2.99 120.64 116.77 2cht n GLU 40 Ca -0.02 -1.82 0.12 0.00 0.00 0.00 0.00 57.16 55.45 2cht n GLU 40 Cb 0.24 -1.44 0.29 0.00 0.00 0.00 0.00 31.44 30.53 2cht n GLU 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2cht n ASP 41 N 1.00 0.92 -4.39 -1.84 8.00 0.19 -4.86 116.55 115.56 2cht n ASP 41 Ca 0.18 -0.73 -0.45 0.00 0.71 0.00 0.00 54.79 54.50 2cht n ASP 41 Cb 0.46 0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 2cht n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2cht s VAL 42 N -2.69 4.88 0.17 2.53 1.01 -1.16 -0.02 120.40 125.13 2cht s VAL 42 Ca 0.19 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 2cht s VAL 42 Cb 0.18 -4.41 0.11 0.00 0.00 0.00 0.00 36.38 32.26 2cht s VAL 42 CO 0.60 -0.99 1.62 0.58 0.00 0.00 0.00 175.10 176.91 2cht h VAL 43 N 5.90 0.37 -1.47 2.92 2.07 -1.26 -3.45 116.25 121.34 2cht h VAL 43 Ca -0.29 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.60 2cht h VAL 43 Cb 1.09 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 31.11 2cht h VAL 43 CO 1.05 0.00 0.93 0.00 0.02 0.00 0.00 177.57 179.57 2cht s GLN 44 N -6.12 0.20 0.01 1.57 -2.07 -1.20 -4.70 119.66 107.34 2cht s GLN 44 Ca -0.14 -0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 2cht s GLN 44 Cb 0.15 0.06 -0.01 0.00 -1.09 0.00 0.00 33.01 32.13 2cht s GLN 44 CO 0.70 -0.09 -0.01 1.41 -1.32 0.00 0.00 175.29 175.98 2cht s MET 45 N -2.14 0.11 -0.02 9.60 1.75 0.16 -1.02 119.30 127.74 2cht s MET 45 Ca 0.19 -0.20 0.06 0.00 -1.25 0.00 0.00 55.69 54.50 2cht s MET 45 Cb 0.05 0.01 -0.01 0.00 2.84 0.00 0.00 34.83 37.72 2cht s MET 45 CO -0.04 -0.01 -0.21 -0.51 -0.65 0.00 0.00 175.02 173.60 2cht s LEU 46 N -0.45 2.02 0.00 4.11 1.43 0.45 -1.90 118.68 124.35 2cht s LEU 46 Ca -0.05 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2cht s LEU 46 Cb -0.03 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 2cht s LEU 46 CO -0.00 0.24 -0.12 -0.76 0.23 0.00 0.00 176.35 175.94 2cht s LEU 47 N -0.39 2.06 0.04 1.79 1.02 -0.01 -0.35 118.68 122.83 2cht s LEU 47 Ca 0.05 -0.27 0.04 0.00 0.02 0.00 0.00 54.13 53.97 2cht s LEU 47 Cb -0.09 -0.60 -0.02 0.00 0.02 0.00 0.00 46.19 45.50 2cht s LEU 47 CO -0.00 0.11 -0.13 -0.94 0.02 0.00 0.00 176.35 175.41 2cht s SER 48 N -0.49 1.51 0.01 2.29 1.04 0.20 -0.92 113.70 117.34 2cht s SER 48 Ca 0.04 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.11 2cht s SER 48 Cb -0.05 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 2cht s SER 48 CO -0.00 0.01 -0.25 0.00 0.98 0.00 0.00 173.24 173.98 2cht s ALA 49 N -0.84 2.13 0.76 5.32 0.00 -1.19 -0.10 121.76 127.84 2cht s ALA 49 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 2cht s ALA 49 Cb -0.08 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.60 2cht s ALA 49 CO 0.01 0.51 1.11 0.95 0.00 0.00 0.00 175.76 178.34 2cht s THR 50 N -0.68 3.16 -1.27 0.00 -4.23 -0.11 -2.80 115.64 109.70 2cht s THR 50 Ca 0.10 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2cht s THR 50 Cb -0.10 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2cht s THR 50 CO 0.00 -0.45 0.63 -0.81 -0.54 0.00 0.00 174.62 173.45 2cht n PRO 51 N -3.29 0.00 0.07 3.99 -0.04 -1.26 -1.66 135.00 132.81 2cht n PRO 51 Ca 0.10 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 2cht n PRO 51 Cb 0.53 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 2cht n PRO 51 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2cht h ASP 52 N 0.00 0.00 -3.28 3.54 3.04 -1.97 -3.45 116.42 114.30 2cht h ASP 52 Ca 0.00 0.00 -0.59 0.00 -3.24 0.00 0.00 57.03 53.20 2cht h ASP 52 Cb 0.08 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.29 2cht h ASP 52 CO 0.00 0.66 0.45 -0.76 -2.04 0.00 0.00 179.24 177.55 2cht s LEU 53 N -6.19 4.13 0.00 0.15 1.43 -0.66 -4.88 118.68 112.66 2cht s LEU 53 Ca -0.00 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 2cht s LEU 53 Cb 0.08 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2cht s LEU 53 CO 0.79 -0.47 0.11 1.41 0.23 0.00 0.00 176.35 178.42 2cht n HIS 54 N 5.66 0.00 0.29 0.29 8.25 -1.26 -4.91 115.22 123.55 2cht n HIS 54 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 2cht n HIS 54 Cb 0.48 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.52 2cht n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cht h ALA 55 N 0.00 -0.78 -2.95 -1.41 0.00 -1.90 -3.46 119.26 108.76 2cht h ALA 55 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2cht h ALA 55 Cb 0.06 0.30 -0.22 0.00 0.00 0.00 0.00 17.79 17.93 2cht h ALA 55 CO 0.00 -0.75 -0.53 0.54 0.00 0.00 0.00 179.25 178.51 2cht s VAL 56 N -4.38 0.06 -0.24 0.00 0.11 -1.26 -4.81 120.40 109.88 2cht s VAL 56 Ca -0.13 -0.52 -0.29 0.00 -2.93 0.00 0.00 61.98 58.11 2cht s VAL 56 Cb 0.01 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 2cht s VAL 56 CO 0.41 -0.29 1.69 -0.36 -3.33 0.00 0.00 175.10 173.22 2cht s PHE 57 N -0.98 1.97 0.57 1.54 0.08 -1.26 -4.85 117.98 115.05 2cht s PHE 57 Ca -0.11 0.53 0.28 0.00 0.12 0.00 0.00 56.93 57.75 2cht s PHE 57 Cb -0.06 -4.03 1.48 0.00 -0.57 0.00 0.00 43.02 39.84 2cht s PHE 57 CO 0.01 -3.06 1.94 -1.35 -0.10 0.00 0.00 175.22 172.66 2cht h PRO 58 N 11.38 0.00 -1.21 0.24 0.11 -1.97 -0.14 132.00 140.42 2cht h PRO 58 Ca -0.34 0.00 0.37 0.00 0.11 0.00 0.00 66.00 66.14 2cht h PRO 58 Cb 1.16 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 2cht h PRO 58 CO 1.01 0.00 0.78 0.00 -0.21 0.00 0.00 178.00 179.58 2cht h ALA 59 N 1.57 2.56 -0.63 -0.75 0.00 -1.94 -1.45 119.26 118.61 2cht h ALA 59 Ca 0.24 0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.41 2cht h ALA 59 Cb 1.14 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2cht h ALA 59 CO -0.00 -1.10 0.45 -0.22 0.00 0.00 0.00 179.25 178.38 2cht h LYS 60 N 0.20 0.09 0.00 0.00 3.64 -1.40 -1.58 116.57 117.51 2cht h LYS 60 Ca 0.73 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.10 2cht h LYS 60 Cb 2.17 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.97 2cht h LYS 60 CO -0.36 0.06 0.00 0.00 -2.27 0.00 0.00 179.45 176.88 2cht h ALA 61 N 1.69 1.00 0.00 5.00 0.00 -1.50 -1.95 119.26 123.50 2cht h ALA 61 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 2cht h ALA 61 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2cht h ALA 61 CO -0.03 0.00 -0.43 0.28 0.00 0.00 0.00 179.25 179.07 2cht h VAL 62 N 0.00 1.18 -0.94 0.00 2.07 -1.48 -2.38 116.25 114.71 2cht h VAL 62 Ca 0.00 -1.55 0.12 0.00 0.82 0.00 0.00 66.70 66.10 2cht h VAL 62 Cb 0.35 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.90 2cht h VAL 62 CO 0.00 0.42 0.60 0.03 0.02 0.00 0.00 177.57 178.64 2cht h ARG 63 N 0.00 0.84 0.00 1.57 3.08 -1.49 -2.21 114.38 116.17 2cht h ARG 63 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2cht h ARG 63 Cb 0.83 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2cht h ARG 63 CO 0.06 0.55 0.00 0.39 -1.07 0.00 0.00 179.97 179.90 2cht n GLU 64 N -4.58 0.18 -3.32 0.04 1.02 -0.89 -4.71 120.64 108.37 2cht n GLU 64 Ca 0.18 0.33 -0.38 0.00 -0.02 0.00 0.00 57.16 57.27 2cht n GLU 64 Cb 0.39 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 2cht n GLU 64 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cht s LEU 65 N -4.24 4.24 0.02 -4.62 1.43 -0.83 -5.00 118.68 109.67 2cht s LEU 65 Ca 0.07 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.61 2cht s LEU 65 Cb 0.11 -2.67 -0.06 0.00 0.03 0.00 0.00 46.19 43.60 2cht s LEU 65 CO 0.43 -0.04 1.44 -0.44 0.23 0.00 0.00 176.35 177.97 2cht s SER 66 N 0.76 6.81 0.00 2.29 0.01 -1.26 -2.06 113.70 120.25 2cht s SER 66 Ca 0.25 2.18 0.00 0.00 1.31 0.00 0.00 55.95 59.69 2cht s SER 66 Cb -0.15 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2cht s SER 66 CO 0.10 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.61 2cht n GLY 67 N 3.69 2.34 0.08 3.44 0.00 -1.26 -4.93 105.19 108.54 2cht n GLY 67 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2cht n GLY 67 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2cht n TRP 68 N -0.00 0.00 0.21 1.61 7.02 -0.87 -4.10 117.44 121.30 2cht n TRP 68 Ca 0.00 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.63 2cht n TRP 68 Cb 0.00 -0.01 0.78 0.00 -2.42 0.00 0.00 31.31 29.66 2cht n TRP 68 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 2cht h GLN 69 N 0.01 0.00 -0.01 -0.99 4.15 -1.84 -2.77 115.11 113.66 2cht h GLN 69 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2cht h GLN 69 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2cht h GLN 69 CO 0.00 0.00 -0.23 0.66 -1.93 0.00 0.00 178.83 177.33 2cht n TYR 70 N -4.07 0.00 -2.09 3.99 4.01 -1.26 -4.95 117.16 112.78 2cht n TYR 70 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 2cht n TYR 70 Cb 0.26 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 2cht n TYR 70 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2cht s VAL 71 N -1.74 3.39 0.04 -0.72 1.01 -1.05 -5.00 120.40 116.33 2cht s VAL 71 Ca 0.15 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 2cht s VAL 71 Cb 0.13 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2cht s VAL 71 CO 0.34 0.00 1.16 -2.16 0.00 0.00 0.00 175.10 174.44 2cht s PRO 72 N 2.43 4.45 -0.00 2.72 0.04 -1.26 -4.98 135.00 138.38 2cht s PRO 72 Ca 0.68 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.45 2cht s PRO 72 Cb -0.35 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 30.78 2cht s PRO 72 CO 0.29 -0.24 -0.12 0.14 0.04 0.00 0.00 177.00 177.11 2cht s VAL 73 N 1.18 0.96 0.07 -0.36 -7.23 -1.26 -0.66 120.40 113.10 2cht s VAL 73 Ca 0.57 -0.56 -0.06 0.00 -1.81 0.00 0.00 61.98 60.12 2cht s VAL 73 Cb -0.27 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 2cht s VAL 73 CO 0.28 0.24 0.11 0.28 -0.31 0.00 0.00 175.10 175.70 2cht s THR 74 N -0.34 0.17 0.28 5.32 -1.32 -0.80 -4.97 115.64 113.99 2cht s THR 74 Ca 0.04 -1.41 0.11 0.00 -1.21 0.00 0.00 61.69 59.22 2cht s THR 74 Cb -0.05 -1.41 -0.05 0.00 -1.51 0.00 0.00 72.50 69.49 2cht s THR 74 CO -0.00 -0.78 -0.15 0.00 -2.21 0.00 0.00 174.62 171.48 2cht s MET 76 N -3.55 0.88 -0.24 0.00 0.23 -0.09 -4.90 119.30 111.62 2cht s MET 76 Ca 0.31 -1.00 -0.09 0.00 -1.03 0.00 0.00 55.69 53.88 2cht s MET 76 Cb -0.04 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 2cht s MET 76 CO 0.16 -0.28 0.13 -1.14 -2.03 0.00 0.00 175.02 171.85 2cht s GLN 77 N -3.88 3.90 0.90 3.16 0.74 -1.26 -3.17 119.66 120.05 2cht s GLN 77 Ca 0.07 -0.36 -0.10 0.00 0.05 0.00 0.00 55.36 55.02 2cht s GLN 77 Cb 0.05 -3.46 0.14 0.00 1.10 0.00 0.00 33.01 30.84 2cht s GLN 77 CO -0.09 -0.04 1.15 -2.00 -0.55 0.00 0.00 175.29 173.75 2cht s GLU 78 N 1.30 1.08 0.49 1.67 2.56 -1.12 -4.97 118.70 119.71 2cht s GLU 78 Ca 0.06 1.54 -0.12 0.00 0.00 0.00 0.00 54.97 56.45 2cht s GLU 78 Cb -0.14 -1.74 -0.06 0.00 2.00 0.00 0.00 34.13 34.19 2cht s GLU 78 CO 0.05 -2.58 0.89 0.00 -0.56 0.00 0.00 175.26 173.06 2cht s MET 79 N -4.65 3.79 -0.74 4.30 0.23 -1.26 -4.51 119.30 116.46 2cht s MET 79 Ca 0.67 0.66 -0.22 0.00 -1.03 0.00 0.00 55.69 55.77 2cht s MET 79 Cb -0.23 -2.25 0.08 0.00 -1.53 0.00 0.00 34.83 30.91 2cht s MET 79 CO 0.58 -0.22 1.02 0.34 -2.03 0.00 0.00 175.02 174.70 2cht s ASP 80 N -3.39 6.29 -0.15 -1.18 -1.08 -1.26 -4.87 116.67 111.04 2cht s ASP 80 Ca 0.54 -1.27 -0.06 0.00 -0.52 0.00 0.00 52.55 51.24 2cht s ASP 80 Cb -0.10 -2.42 -0.04 0.00 -1.46 0.00 0.00 42.92 38.90 2cht s ASP 80 CO 0.36 -1.35 0.08 -0.69 0.52 0.00 0.00 175.17 174.09 2cht s VAL 81 N 3.76 4.97 -0.08 1.11 1.01 -1.26 -5.04 120.40 124.88 2cht s VAL 81 Ca 0.26 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 2cht s VAL 81 Cb -0.13 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 2cht s VAL 81 CO 0.05 0.53 2.05 0.41 0.00 0.00 0.00 175.10 178.14 2cht n THR 82 N 2.79 0.59 -0.17 3.92 -1.04 -1.26 -0.13 114.28 118.98 2cht n THR 82 Ca -0.18 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 2cht n THR 82 Cb 0.53 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 2cht n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cht n GLY 83 N 5.01 0.80 3.72 3.41 0.00 -1.26 -5.06 105.19 111.81 2cht n GLY 83 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 2cht n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cht s GLY 84 N -1.71 2.15 0.02 -0.02 0.00 0.81 -4.95 107.32 103.62 2cht s GLY 84 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 44.72 45.16 2cht s GLY 84 CO 0.00 1.13 1.08 -2.27 0.00 0.00 0.00 173.10 173.05 2cht s LEU 85 N -5.44 4.36 0.33 0.66 2.96 -1.26 -5.01 118.68 115.29 2cht s LEU 85 Ca 0.71 1.81 -0.08 0.00 -0.22 0.00 0.00 54.13 56.35 2cht s LEU 85 Cb -0.26 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.80 2cht s LEU 85 CO 0.48 -0.37 0.64 -0.54 -1.32 0.00 0.00 176.35 175.24 2cht s LYS 86 N 1.13 3.71 -1.30 1.98 -0.14 -1.26 -4.38 119.74 119.48 2cht s LYS 86 Ca 0.55 0.22 -0.01 0.00 -1.36 0.00 0.00 55.97 55.36 2cht s LYS 86 Cb -0.25 -2.54 0.01 0.00 -1.68 0.00 0.00 37.83 33.37 2cht s LYS 86 CO 0.28 0.12 0.81 1.63 -0.76 0.00 0.00 175.35 177.43 2cht n LYS 87 N -1.02 -5.49 -4.50 1.68 5.02 -1.26 -4.81 118.16 107.76 2cht n LYS 87 Ca 0.00 0.68 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 2cht n LYS 87 Cb 0.54 -5.40 -0.12 0.00 -0.02 0.00 0.00 35.03 30.04 2cht n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cht s ILE 89 N -1.01 1.19 0.06 0.00 1.01 -0.04 -0.93 121.20 121.48 2cht s ILE 89 Ca 0.17 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.22 2cht s ILE 89 Cb -0.11 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2cht s ILE 89 CO 0.08 0.34 -0.10 -0.13 0.00 0.00 0.00 174.94 175.12 2cht s ARG 90 N -0.27 0.68 0.05 2.79 0.52 0.86 -1.51 118.95 122.07 2cht s ARG 90 Ca 0.04 -0.90 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 2cht s ARG 90 Cb -0.07 -0.50 -0.02 0.00 0.52 0.00 0.00 34.95 34.88 2cht s ARG 90 CO -0.00 0.10 -0.13 0.54 0.02 0.00 0.00 175.30 175.83 2cht s VAL 91 N -1.57 0.98 -0.36 3.52 0.11 -0.48 -0.63 120.40 121.97 2cht s VAL 91 Ca -0.05 -1.08 0.03 0.00 -2.93 0.00 0.00 61.98 57.95 2cht s VAL 91 Cb -0.08 -0.93 0.11 0.00 -1.53 0.00 0.00 36.38 33.94 2cht s VAL 91 CO 0.01 -0.14 0.10 -0.32 -3.33 0.00 0.00 175.10 171.42 2cht s MET 92 N -1.37 1.37 -0.34 1.54 1.75 0.53 -2.06 119.30 120.71 2cht s MET 92 Ca -0.02 -1.81 -0.12 0.00 -1.25 0.00 0.00 55.69 52.49 2cht s MET 92 Cb -0.09 -2.91 -0.01 0.00 2.84 0.00 0.00 34.83 34.67 2cht s MET 92 CO 0.01 -0.99 0.22 1.41 -0.65 0.00 0.00 175.02 175.03 2cht s MET 93 N 0.86 3.36 -0.23 4.11 1.75 0.77 -0.41 119.30 129.52 2cht s MET 93 Ca 0.12 -0.73 -0.16 0.00 -1.25 0.00 0.00 55.69 53.68 2cht s MET 93 Cb -0.20 -3.75 -0.04 0.00 2.84 0.00 0.00 34.83 33.69 2cht s MET 93 CO -0.10 -0.48 0.40 0.99 -0.65 0.00 0.00 175.02 175.18 2cht s THR 94 N 1.68 5.18 0.11 10.11 2.01 -0.19 0.13 115.64 134.66 2cht s THR 94 Ca 0.05 0.69 0.06 0.00 0.31 0.00 0.00 61.69 62.80 2cht s THR 94 Cb -0.18 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2cht s THR 94 CO 0.09 0.21 -0.16 0.68 -0.69 0.00 0.00 174.62 174.75 2cht s VAL 95 N 1.62 1.39 0.10 3.82 -7.23 0.33 -0.72 120.40 119.71 2cht s VAL 95 Ca 0.18 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 2cht s VAL 95 Cb -0.15 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 2cht s VAL 95 CO 0.09 -0.28 1.10 -1.58 -0.31 0.00 0.00 175.10 174.11 2cht s GLN 96 N -2.26 4.54 0.05 4.82 0.74 0.97 -0.74 119.66 127.79 2cht s GLN 96 Ca 0.06 1.65 -0.28 0.00 0.05 0.00 0.00 55.36 56.84 2cht s GLN 96 Cb -0.07 -3.35 0.09 0.00 1.10 0.00 0.00 33.01 30.78 2cht s GLN 96 CO 0.03 -0.05 1.01 -0.08 -0.55 0.00 0.00 175.29 175.65 2cht s THR 97 N 0.47 0.00 -0.09 -0.34 -1.32 -0.20 -4.92 115.64 109.24 2cht s THR 97 Ca 0.53 -0.35 0.02 0.00 -1.21 0.00 0.00 61.69 60.68 2cht s THR 97 Cb -0.27 -1.62 -0.01 0.00 -1.51 0.00 0.00 72.50 69.08 2cht s THR 97 CO 0.31 0.00 0.12 0.47 -2.21 0.00 0.00 174.62 173.31 2cht n ASP 98 N -0.38 0.18 -4.74 8.08 8.00 -1.26 -0.77 116.55 125.67 2cht n ASP 98 Ca -0.07 -0.59 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 2cht n ASP 98 Cb 0.61 0.90 -0.03 0.00 -0.02 0.00 0.00 41.12 42.59 2cht n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2cht s VAL 99 N -1.06 2.75 0.53 2.53 1.01 -1.26 -4.96 120.40 119.94 2cht s VAL 99 Ca 0.01 0.59 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 2cht s VAL 99 Cb 0.01 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 2cht s VAL 99 CO 0.06 0.08 1.24 -2.84 0.00 0.00 0.00 175.10 173.64 2cht s PRO 100 N 0.12 3.29 0.26 2.72 0.02 -1.26 -4.84 135.00 135.31 2cht s PRO 100 Ca 0.62 1.93 -0.06 0.00 0.02 0.00 0.00 61.00 63.51 2cht s PRO 100 Cb -0.41 -2.19 0.47 0.00 0.02 0.00 0.00 34.50 32.39 2cht s PRO 100 CO 0.39 -0.97 1.45 0.94 -0.33 0.00 0.00 177.00 178.47 2cht n GLN 101 N -1.05 -0.08 0.15 5.54 7.27 -1.26 0.03 117.38 127.98 2cht n GLN 101 Ca 0.10 1.44 0.12 0.00 0.07 0.00 0.00 57.00 58.73 2cht n GLN 101 Cb 0.48 -2.17 0.53 0.00 2.41 0.00 0.00 30.24 31.49 2cht n GLN 101 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2cht n ASP 102 N -5.49 0.66 -0.09 1.69 5.75 -1.26 -2.44 116.55 115.37 2cht n ASP 102 Ca 0.16 0.70 0.10 0.00 -0.01 0.00 0.00 54.79 55.75 2cht n ASP 102 Cb 0.50 -0.83 -0.05 0.00 -1.03 0.00 0.00 41.12 39.71 2cht n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cht n GLN 103 N -2.27 0.21 -2.00 0.11 6.02 0.10 -4.96 117.38 114.59 2cht n GLN 103 Ca 0.01 -0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.42 2cht n GLN 103 Cb 0.17 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 2cht n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2cht s ILE 104 N -2.91 2.48 -0.25 5.09 -1.09 -1.02 -4.96 121.20 118.54 2cht s ILE 104 Ca 0.10 0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 58.95 2cht s ILE 104 Cb 0.17 -3.30 -0.00 0.00 -1.58 0.00 0.00 42.46 37.74 2cht s ILE 104 CO 0.80 0.11 -0.00 -0.13 -1.23 0.00 0.00 174.94 174.49 2cht s ARG 105 N -1.82 3.27 -0.04 2.79 0.52 -1.26 -5.07 118.95 117.34 2cht s ARG 105 Ca 0.51 -0.71 -0.09 0.00 -0.52 0.00 0.00 55.73 54.92 2cht s ARG 105 Cb -0.42 -3.13 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 2cht s ARG 105 CO 0.56 -0.28 0.26 -1.01 0.02 0.00 0.00 175.30 174.85 2cht s HIS 106 N 1.48 3.62 -0.07 -0.53 3.76 -1.26 -4.77 115.29 117.52 2cht s HIS 106 Ca 0.04 0.67 0.02 0.00 -0.15 0.00 0.00 55.06 55.65 2cht s HIS 106 Cb -0.15 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 2cht s HIS 106 CO -0.01 0.66 -0.12 0.08 -0.85 0.00 0.00 174.74 174.50 2cht s VAL 107 N -1.15 3.26 -0.08 -0.90 1.01 -0.77 -4.96 120.40 116.81 2cht s VAL 107 Ca 0.22 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2cht s VAL 107 Cb -0.14 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.96 2cht s VAL 107 CO 0.11 0.58 0.01 -0.31 0.00 0.00 0.00 175.10 175.49 2cht s TYR 108 N -0.51 0.63 0.40 5.22 2.02 -1.25 -0.42 117.35 123.44 2cht s TYR 108 Ca 0.07 -0.17 0.07 0.00 -0.37 0.00 0.00 57.07 56.67 2cht s TYR 108 Cb -0.12 -0.79 -0.07 0.00 -0.40 0.00 0.00 41.96 40.58 2cht s TYR 108 CO 0.02 -0.34 0.03 -0.51 -1.57 0.00 0.00 175.55 173.18 2cht s LEU 109 N 1.98 2.91 0.00 -1.29 1.43 0.33 -4.34 118.68 119.71 2cht s LEU 109 Ca 0.05 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 2cht s LEU 109 Cb -0.13 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.07 2cht s LEU 109 CO -0.05 -0.43 0.00 -0.62 0.23 0.00 0.00 176.35 175.48 2cht n GLU 110 N -1.00 0.00 0.06 1.70 -0.58 -1.26 -0.54 120.64 119.02 2cht n GLU 110 Ca -0.04 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.83 2cht n GLU 110 Cb 0.66 0.00 0.44 0.00 -0.57 0.00 0.00 31.44 31.96 2cht n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2cht n LYS 111 N 14.00 0.17 0.00 3.49 5.02 -1.26 -3.26 118.16 136.31 2cht n LYS 111 Ca 0.00 0.12 0.06 0.00 -2.02 0.00 0.00 58.31 56.47 2cht n LYS 111 Cb 0.00 -1.68 0.30 0.00 -0.02 0.00 0.00 35.03 33.63 2cht n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cht n ALA 112 N -1.68 1.65 0.09 7.82 0.00 0.29 -2.74 120.51 125.94 2cht n ALA 112 Ca 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2cht n ALA 112 Cb 0.40 -1.21 0.24 0.00 0.00 0.00 0.00 19.45 18.87 2cht n ALA 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2cht n VAL 113 N -1.44 1.04 0.57 0.00 0.24 -1.20 -0.70 118.33 116.83 2cht n VAL 113 Ca 0.04 0.64 0.11 0.00 -2.04 0.00 0.00 64.34 63.08 2cht n VAL 113 Cb 0.14 -1.64 -0.06 0.00 -1.47 0.00 0.00 33.84 30.81 2cht n VAL 113 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2cht n VAL 114 N -1.78 0.08 -0.13 3.34 3.14 -1.11 -4.50 118.33 117.37 2cht n VAL 114 Ca -0.01 -0.23 -0.11 0.00 -2.96 0.00 0.00 64.34 61.04 2cht n VAL 114 Cb 0.19 0.40 -0.02 0.00 -1.06 0.00 0.00 33.84 33.35 2cht n VAL 114 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cht h LEU 115 N 0.00 0.75 -6.25 6.55 3.38 -1.16 -3.43 115.31 115.15 2cht h LEU 115 Ca 0.00 -0.36 -0.18 0.00 0.09 0.00 0.00 57.88 57.44 2cht h LEU 115 Cb 0.72 -0.20 -0.27 0.00 0.09 0.00 0.00 40.66 41.00 2cht h LEU 115 CO 0.00 0.93 -0.53 -0.13 0.09 0.00 0.00 178.44 178.80 2cht s ARG 116 N -4.81 0.50 0.00 1.13 1.81 -1.26 -5.20 118.95 111.13 2cht s ARG 116 Ca -0.13 -0.00 0.32 0.00 -1.72 0.00 0.00 55.73 54.20 2cht s ARG 116 Cb 0.10 -0.26 1.91 0.00 -0.45 0.00 0.00 34.95 36.25 2cht s ARG 116 CO 0.81 -1.08 2.23 -2.30 -0.68 0.00 0.00 175.30 174.28