#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 4.80 0.17 1.12 1.09 -1.26 -1.31 121.20 125.81 2cht s ILE 3 Ca 0.00 -0.04 0.07 0.00 -1.10 0.00 0.00 60.65 59.59 2cht s ILE 3 Cb 0.00 -3.14 -0.04 0.00 -1.06 0.00 0.00 42.46 38.22 2cht s ILE 3 CO 0.00 0.49 -0.15 -0.13 -0.10 0.00 0.00 174.94 175.05 2cht s ARG 4 N 0.12 1.23 -0.11 2.79 0.52 0.89 -4.93 118.95 119.45 2cht s ARG 4 Ca 0.05 -1.45 -0.14 0.00 -0.52 0.00 0.00 55.73 53.67 2cht s ARG 4 Cb -0.12 -1.11 -0.05 0.00 0.52 0.00 0.00 34.95 34.19 2cht s ARG 4 CO 0.01 0.20 0.34 0.20 0.02 0.00 0.00 175.30 176.07 2cht s GLY 5 N -2.91 2.30 0.09 -3.53 0.00 -1.26 -0.75 107.32 101.26 2cht s GLY 5 Ca 0.17 -0.36 0.06 0.00 0.00 0.00 0.00 44.72 44.59 2cht s GLY 5 CO 0.06 0.37 -0.07 -0.42 0.00 0.00 0.00 173.10 173.04 2cht s ILE 6 N 0.03 3.59 0.02 0.90 1.01 -0.28 -4.95 121.20 121.52 2cht s ILE 6 Ca 0.20 -1.12 0.05 0.00 0.00 0.00 0.00 60.65 59.77 2cht s ILE 6 Cb -0.14 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 2cht s ILE 6 CO 0.07 0.15 -0.14 -0.13 0.00 0.00 0.00 174.94 174.90 2cht s ARG 7 N -2.13 1.02 0.12 2.79 1.81 -1.26 -0.35 118.95 120.95 2cht s ARG 7 Ca 0.22 -0.63 -0.04 0.00 -1.72 0.00 0.00 55.73 53.56 2cht s ARG 7 Cb -0.11 -1.01 -0.03 0.00 -0.45 0.00 0.00 34.95 33.35 2cht s ARG 7 CO 0.14 0.26 0.11 0.20 -0.68 0.00 0.00 175.30 175.34 2cht s GLY 8 N -0.75 0.65 -0.16 -3.53 0.00 -0.38 -1.42 107.32 101.73 2cht s GLY 8 Ca 0.03 -1.17 -0.28 0.00 0.00 0.00 0.00 44.72 43.31 2cht s GLY 8 CO 0.00 -1.15 0.71 0.00 0.00 0.00 0.00 173.10 172.67 2cht s ALA 9 N -3.98 -1.78 0.37 3.20 0.00 -1.00 -1.05 121.76 117.52 2cht s ALA 9 Ca 0.17 1.66 -0.04 0.00 0.00 0.00 0.00 51.96 53.74 2cht s ALA 9 Cb 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2cht s ALA 9 CO -0.03 -0.35 0.55 -0.08 0.00 0.00 0.00 175.76 175.85 2cht s THR 10 N -0.45 0.00 0.00 0.00 -1.32 0.09 -0.75 115.64 113.21 2cht s THR 10 Ca -0.06 -1.49 -0.01 0.00 -1.21 0.00 0.00 61.69 58.93 2cht s THR 10 Cb -0.02 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.21 2cht s THR 10 CO 0.05 0.00 0.01 0.42 -2.21 0.00 0.00 174.62 172.89 2cht s THR 11 N -2.75 0.04 0.17 5.08 -4.23 -1.26 -1.27 115.64 111.42 2cht s THR 11 Ca 0.28 -0.36 0.04 0.00 -1.18 0.00 0.00 61.69 60.47 2cht s THR 11 Cb -0.02 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.65 2cht s THR 11 CO 0.20 -0.20 0.19 0.68 -0.54 0.00 0.00 174.62 174.95 2cht s VAL 12 N -0.59 4.76 0.10 2.29 -7.23 -0.32 -4.79 120.40 114.62 2cht s VAL 12 Ca -0.07 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 2cht s VAL 12 Cb -0.04 -3.45 -0.24 0.00 0.56 0.00 0.00 36.38 33.21 2cht s VAL 12 CO -0.00 -0.12 1.20 -0.08 -0.31 0.00 0.00 175.10 175.79 2cht h GLU 13 N 2.25 0.12 -4.23 4.82 4.57 -1.96 -3.45 114.58 116.71 2cht h GLU 13 Ca -0.48 -0.21 -0.20 0.00 -1.18 0.00 0.00 59.36 57.30 2cht h GLU 13 Cb 1.20 0.08 -0.20 0.00 -0.16 0.00 0.00 28.75 29.67 2cht h GLU 13 CO 0.65 1.09 -0.71 1.03 -1.18 0.00 0.00 179.01 179.89 2cht s ARG 14 N -2.68 0.45 -1.49 1.92 0.52 -1.26 -5.06 118.95 111.35 2cht s ARG 14 Ca -0.01 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.29 2cht s ARG 14 Cb 0.09 -0.02 0.02 0.00 0.52 0.00 0.00 34.95 35.55 2cht s ARG 14 CO 0.85 -0.03 2.44 -3.47 0.02 0.00 0.00 175.30 175.11 2cht n ASP 15 N 1.25 5.75 -4.28 0.23 2.03 -1.26 -4.65 116.55 115.61 2cht n ASP 15 Ca -0.22 -2.80 -0.26 0.00 0.52 0.00 0.00 54.79 52.03 2cht n ASP 15 Cb 0.56 -1.60 -0.14 0.00 -0.72 0.00 0.00 41.12 39.23 2cht n ASP 15 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2cht s THR 16 N 2.38 1.80 0.23 5.18 -1.32 -1.26 -4.54 115.64 118.11 2cht s THR 16 Ca 0.54 -1.33 -0.07 0.00 -1.21 0.00 0.00 61.69 59.62 2cht s THR 16 Cb 0.15 -1.57 0.19 0.00 -1.51 0.00 0.00 72.50 69.75 2cht s THR 16 CO -0.07 0.18 1.83 -0.08 -2.21 0.00 0.00 174.62 174.26 2cht h GLU 17 N 4.65 0.80 -0.03 7.08 4.81 -1.90 -0.77 114.58 129.21 2cht h GLU 17 Ca -0.44 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2cht h GLU 17 Cb 1.16 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 2cht h GLU 17 CO 0.43 0.53 0.03 1.05 -0.73 0.00 0.00 179.01 180.32 2cht h GLU 18 N 0.82 0.00 0.01 1.92 4.11 -1.97 -1.73 114.58 117.75 2cht h GLU 18 Ca 0.35 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.49 2cht h GLU 18 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2cht h GLU 18 CO -0.19 0.00 -1.59 0.39 0.07 0.00 0.00 179.01 177.69 2cht n GLU 19 N -3.86 0.59 -0.21 1.06 1.02 -0.38 -2.88 120.64 115.97 2cht n GLU 19 Ca -0.02 0.49 -0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2cht n GLU 19 Cb 0.12 -1.69 0.11 0.00 -0.02 0.00 0.00 31.44 29.96 2cht n GLU 19 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2cht h ILE 20 N -0.91 0.80 -0.18 -3.67 2.04 -1.25 0.25 117.51 114.59 2cht h ILE 20 Ca -0.43 -0.16 -0.13 0.00 1.00 0.00 0.00 64.86 65.15 2cht h ILE 20 Cb 1.43 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2cht h ILE 20 CO -0.23 0.08 -0.44 -0.07 0.00 0.00 0.00 178.15 177.50 2cht h LEU 21 N 0.45 0.48 -0.17 1.44 3.38 -1.49 -1.92 115.31 117.48 2cht h LEU 21 Ca 0.31 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2cht h LEU 21 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2cht h LEU 21 CO -0.29 0.85 -0.46 -0.61 0.09 0.00 0.00 178.44 178.03 2cht h GLN 22 N 0.37 0.61 -0.39 1.13 4.15 -1.26 -1.70 115.11 118.02 2cht h GLN 22 Ca 0.03 -0.43 -0.13 0.00 0.77 0.00 0.00 58.65 58.89 2cht h GLN 22 Cb 0.91 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 2cht h GLN 22 CO 0.08 1.05 -0.28 0.87 -1.93 0.00 0.00 178.83 178.62 2cht h LYS 23 N 0.27 0.83 -0.38 1.69 1.79 -1.01 -2.61 116.57 117.15 2cht h LYS 23 Ca -0.01 -0.37 -0.12 0.00 -2.18 0.00 0.00 60.65 57.96 2cht h LYS 23 Cb 1.08 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 2cht h LYS 23 CO 0.10 1.01 -0.26 1.15 -1.08 0.00 0.00 179.45 180.37 2cht h THR 24 N 0.71 1.27 -0.02 -0.16 2.02 -1.35 -1.63 112.91 113.76 2cht h THR 24 Ca 0.08 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2cht h THR 24 Cb 0.83 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2cht h THR 24 CO 0.07 0.46 0.01 0.50 0.37 0.00 0.00 175.52 176.93 2cht h LYS 25 N 0.67 0.03 -0.45 6.66 3.64 -1.27 -1.50 116.57 124.35 2cht h LYS 25 Ca 0.09 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.55 2cht h LYS 25 Cb 0.78 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 2cht h LYS 25 CO 0.06 0.04 -0.06 1.96 -2.27 0.00 0.00 179.45 179.19 2cht h GLN 26 N 0.01 0.05 -0.55 1.90 4.20 -1.41 0.40 115.11 119.71 2cht h GLN 26 Ca 0.01 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2cht h GLN 26 Cb 0.02 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2cht h GLN 26 CO -0.00 0.03 0.18 1.25 -0.67 0.00 0.00 178.83 179.62 2cht h LEU 27 N 0.05 0.80 -0.66 1.46 5.85 -1.20 -2.49 115.31 119.11 2cht h LEU 27 Ca 0.22 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2cht h LEU 27 Cb 0.34 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2cht h LEU 27 CO -0.42 0.79 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.21 2cht h LEU 28 N 0.76 0.85 0.15 2.25 3.38 -0.51 -2.80 115.31 119.40 2cht h LEU 28 Ca 0.18 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2cht h LEU 28 Cb 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2cht h LEU 28 CO -0.01 1.03 -0.12 -0.33 0.09 0.00 0.00 178.44 179.10 2cht h GLU 29 N 0.74 -0.26 -0.40 1.13 5.08 -0.87 -0.92 114.58 119.08 2cht h GLU 29 Ca 0.11 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2cht h GLU 29 Cb 0.72 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2cht h GLU 29 CO 0.06 -0.18 0.14 -0.22 -1.00 0.00 0.00 179.01 177.81 2cht h LYS 30 N -0.27 0.29 0.01 2.33 1.63 -1.43 -0.09 116.57 119.04 2cht h LYS 30 Ca -0.01 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2cht h LYS 30 Cb 0.25 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2cht h LYS 30 CO -0.01 0.19 -0.05 0.82 -3.45 0.00 0.00 179.45 176.95 2cht h ILE 31 N 0.30 0.87 -0.74 2.00 2.04 -1.30 -0.56 117.51 120.12 2cht h ILE 31 Ca 0.18 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.12 2cht h ILE 31 Cb 0.16 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 2cht h ILE 31 CO -0.18 0.00 0.41 0.40 0.00 0.00 0.00 178.15 178.78 2cht h ILE 32 N -0.10 0.93 0.70 -0.67 2.04 -0.56 -1.54 117.51 118.31 2cht h ILE 32 Ca 0.02 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2cht h ILE 32 Cb 0.12 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2cht h ILE 32 CO -0.05 0.13 -0.33 -0.08 0.00 0.00 0.00 178.15 177.82 2cht h GLU 33 N 0.72 -0.90 -0.24 2.37 4.81 -0.80 0.37 114.58 120.92 2cht h GLU 33 Ca 0.35 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.69 2cht h GLU 33 Cb 0.29 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2cht h GLU 33 CO -0.22 -0.60 0.16 0.93 -0.73 0.00 0.00 179.01 178.55 2cht h GLU 34 N -1.05 0.09 -0.15 1.92 4.39 -1.04 -1.67 114.58 117.08 2cht h GLU 34 Ca -0.10 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2cht h GLU 34 Cb 0.72 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2cht h GLU 34 CO 0.16 0.06 0.00 0.09 -1.16 0.00 0.00 179.01 178.16 2cht n ASN 35 N -4.48 2.48 -2.48 1.42 3.02 -0.59 -4.84 115.26 109.79 2cht n ASN 35 Ca 0.02 -1.71 -0.20 0.00 -0.03 0.00 0.00 54.58 52.66 2cht n ASN 35 Cb 0.25 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.79 -1.17 -2.05 3.10 8.25 0.11 -4.90 115.22 119.35 2cht n HIS 36 Ca 0.10 0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 2cht n HIS 36 Cb 0.39 -3.82 -0.03 0.00 1.12 0.00 0.00 29.99 27.65 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 -2.99 3.08 0.04 1.59 2.01 0.20 -5.00 115.64 114.57 2cht s THR 37 Ca 0.03 0.70 -0.12 0.00 0.31 0.00 0.00 61.69 62.62 2cht s THR 37 Cb -0.02 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 68.99 2cht s THR 37 CO 0.04 0.04 0.39 -0.54 -0.69 0.00 0.00 174.62 173.86 2cht s LYS 38 N 1.59 3.80 0.30 4.92 3.01 -1.26 -4.85 119.74 127.24 2cht s LYS 38 Ca 0.68 0.25 0.05 0.00 -1.01 0.00 0.00 55.97 55.94 2cht s LYS 38 Cb -0.39 -3.09 0.73 0.00 -1.01 0.00 0.00 37.83 34.08 2cht s LYS 38 CO 0.30 0.62 1.76 -1.00 0.51 0.00 0.00 175.35 177.54 2cht h PRO 39 N 4.13 0.67 0.00 -1.68 0.13 -1.95 0.25 132.00 133.56 2cht h PRO 39 Ca -0.50 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2cht h PRO 39 Cb 1.20 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2cht h PRO 39 CO 0.64 0.44 0.00 -0.85 -0.23 0.00 0.00 178.00 178.01 2cht n GLU 40 N -4.82 0.80 0.03 0.86 0.00 -1.26 -2.01 120.64 114.23 2cht n GLU 40 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.50 2cht n GLU 40 Cb 0.59 -1.46 -0.01 0.00 0.00 0.00 0.00 31.44 30.55 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 -0.96 0.58 -4.73 -1.84 8.00 0.07 -4.90 116.55 112.77 2cht n ASP 41 Ca 0.18 -0.19 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 2cht n ASP 41 Cb 0.08 0.92 -0.03 0.00 -0.02 0.00 0.00 41.12 42.07 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 -3.24 3.82 -0.02 2.53 1.01 -0.85 -1.16 120.40 122.48 2cht s VAL 42 Ca 0.02 1.44 -0.05 0.00 0.00 0.00 0.00 61.98 63.40 2cht s VAL 42 Cb 0.14 -3.92 -0.28 0.00 0.00 0.00 0.00 36.38 32.32 2cht s VAL 42 CO 0.82 0.19 0.75 0.58 0.00 0.00 0.00 175.10 177.44 2cht h VAL 43 N 4.03 1.03 0.00 2.92 2.07 -1.17 -3.48 116.25 121.65 2cht h VAL 43 Ca -0.43 -2.67 0.00 0.00 0.82 0.00 0.00 66.70 64.41 2cht h VAL 43 Cb 1.21 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 2cht h VAL 43 CO 0.77 0.82 0.00 0.00 0.02 0.00 0.00 177.57 179.17 2cht n GLN 44 N -3.47 -1.87 -3.74 1.57 10.64 -1.24 -4.67 117.38 114.60 2cht n GLN 44 Ca -0.20 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.84 2cht n GLN 44 Cb 1.05 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 30.34 2cht n GLN 44 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2cht s MET 45 N -2.00 0.58 0.02 2.61 1.75 -0.22 -1.66 119.30 120.38 2cht s MET 45 Ca 0.00 0.14 0.06 0.00 -1.25 0.00 0.00 55.69 54.64 2cht s MET 45 Cb 0.00 0.27 -0.02 0.00 2.84 0.00 0.00 34.83 37.92 2cht s MET 45 CO 0.00 -0.13 -0.17 -0.51 -0.65 0.00 0.00 175.02 173.56 2cht s LEU 46 N -0.64 2.12 -0.02 4.11 1.43 -0.74 -2.41 118.68 122.54 2cht s LEU 46 Ca -0.07 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 2cht s LEU 46 Cb -0.04 -0.83 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 2cht s LEU 46 CO 0.03 0.14 -0.13 -0.76 0.23 0.00 0.00 176.35 175.85 2cht s LEU 47 N -0.90 1.94 0.22 1.79 1.43 -0.69 -1.52 118.68 120.94 2cht s LEU 47 Ca 0.05 -0.26 0.10 0.00 -1.03 0.00 0.00 54.13 53.00 2cht s LEU 47 Cb -0.08 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 2cht s LEU 47 CO 0.01 0.14 -0.19 -0.94 0.23 0.00 0.00 176.35 175.59 2cht s SER 48 N -0.10 3.12 0.01 2.29 1.04 -0.81 -1.50 113.70 117.75 2cht s SER 48 Ca 0.01 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2cht s SER 48 Cb -0.08 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 2cht s SER 48 CO 0.00 -0.01 -0.01 0.00 0.98 0.00 0.00 173.24 174.20 2cht s ALA 49 N -2.32 0.07 0.64 5.32 0.00 -1.07 -1.63 121.76 122.77 2cht s ALA 49 Ca 0.23 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 2cht s ALA 49 Cb -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2cht s ALA 49 CO 0.10 -0.05 1.24 0.95 0.00 0.00 0.00 175.76 178.01 2cht s THR 50 N -0.52 2.32 -1.73 0.00 -4.23 -0.92 -0.77 115.64 109.79 2cht s THR 50 Ca -0.05 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2cht s THR 50 Cb -0.04 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2cht s THR 50 CO -0.00 -0.05 0.22 -0.81 -0.54 0.00 0.00 174.62 173.43 2cht n PRO 51 N -1.95 0.25 -0.38 3.99 -0.04 -1.26 -2.70 135.00 132.92 2cht n PRO 51 Ca 0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 2cht n PRO 51 Cb 0.49 -1.03 0.23 0.00 -0.04 0.00 0.00 33.50 33.15 2cht n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2cht n ASP 52 N -0.26 3.64 -3.88 3.54 5.68 -1.26 -4.87 116.55 119.14 2cht n ASP 52 Ca 0.00 -2.85 -0.26 0.00 -0.50 0.00 0.00 54.79 51.18 2cht n ASP 52 Cb 0.02 -0.48 -0.17 0.00 -1.14 0.00 0.00 41.12 39.34 2cht n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2cht s LEU 53 N -2.52 1.08 0.00 -2.12 1.43 -1.10 -4.82 118.68 110.64 2cht s LEU 53 Ca 0.38 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2cht s LEU 53 Cb 0.30 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.76 2cht s LEU 53 CO 0.10 -0.13 0.32 1.41 0.23 0.00 0.00 176.35 178.28 2cht n HIS 54 N 4.94 0.00 -0.09 0.29 8.25 -1.26 -4.90 115.22 122.45 2cht n HIS 54 Ca -0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.21 2cht n HIS 54 Cb 0.50 0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 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 0.42 -2.98 -1.41 0.00 -1.93 -3.47 119.26 109.89 2cht h ALA 55 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2cht h ALA 55 Cb 0.88 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 2cht h ALA 55 CO 0.00 0.47 0.18 0.54 0.00 0.00 0.00 179.25 180.44 2cht s VAL 56 N -4.29 0.01 -0.12 0.00 0.11 -1.26 -4.75 120.40 110.09 2cht s VAL 56 Ca -0.12 -0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 58.42 2cht s VAL 56 Cb 0.09 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 2cht s VAL 56 CO 0.84 -0.03 0.98 -0.36 -3.33 0.00 0.00 175.10 173.20 2cht s PHE 57 N -3.78 3.49 0.50 1.54 0.08 -1.26 -4.96 117.98 113.57 2cht s PHE 57 Ca 0.03 1.53 0.33 0.00 0.12 0.00 0.00 56.93 58.94 2cht s PHE 57 Cb -0.02 -3.17 1.80 0.00 -0.57 0.00 0.00 43.02 41.07 2cht s PHE 57 CO -0.10 -0.25 2.19 -1.35 -0.10 0.00 0.00 175.22 175.62 2cht h PRO 58 N 7.15 0.00 -0.22 0.24 0.11 -1.96 -2.62 132.00 134.70 2cht h PRO 58 Ca -0.30 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.88 2cht h PRO 58 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2cht h PRO 58 CO 0.86 0.05 0.21 0.00 -0.21 0.00 0.00 178.00 178.91 2cht h ALA 59 N 1.95 1.96 0.00 -0.75 0.00 -1.95 0.02 119.26 120.49 2cht h ALA 59 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2cht h ALA 59 Cb 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2cht h ALA 59 CO 0.01 -0.32 -0.03 -0.22 0.00 0.00 0.00 179.25 178.68 2cht h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.89 -1.07 116.57 117.25 2cht h LYS 60 Ca 0.11 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2cht h LYS 60 Cb 0.52 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2cht h LYS 60 CO -0.00 0.03 -0.16 0.00 -2.27 0.00 0.00 179.45 177.05 2cht h ALA 61 N 1.97 1.17 -0.47 5.00 0.00 -1.21 -2.51 119.26 123.21 2cht h ALA 61 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2cht h ALA 61 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2cht h ALA 61 CO 0.00 0.20 0.24 0.28 0.00 0.00 0.00 179.25 179.97 2cht h VAL 62 N 0.00 1.15 0.00 0.00 2.07 -1.34 0.95 116.25 119.09 2cht h VAL 62 Ca -0.00 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2cht h VAL 62 Cb 0.50 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2cht h VAL 62 CO 0.02 0.17 -0.05 0.03 0.02 0.00 0.00 177.57 177.76 2cht h ARG 63 N 0.65 0.00 0.00 1.57 -0.00 -1.56 -1.03 114.38 114.01 2cht h ARG 63 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.65 2cht h ARG 63 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.02 2cht h ARG 63 CO -0.02 0.05 0.00 0.39 0.00 0.00 0.00 179.97 180.39 2cht n GLU 64 N -3.37 0.88 -4.00 0.04 1.02 0.33 -4.71 120.64 110.84 2cht n GLU 64 Ca -0.02 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.77 2cht n GLU 64 Cb 0.20 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.96 3.25 -0.06 -4.62 1.43 -0.39 -5.05 118.68 111.27 2cht s LEU 65 Ca 0.41 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 2cht s LEU 65 Cb 0.19 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 2cht s LEU 65 CO 0.31 0.04 2.05 -1.20 0.23 0.00 0.00 176.35 177.78 2cht n SER 66 N 4.42 3.80 0.00 2.29 7.64 -1.26 -1.89 113.62 128.62 2cht n SER 66 Ca -0.17 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2cht n SER 66 Cb 0.52 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 2cht n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cht n GLY 67 N 4.94 0.49 1.40 0.23 0.00 -1.26 -4.93 105.19 106.06 2cht n GLY 67 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.00 1.33 0.26 1.61 7.02 -0.79 -4.42 117.44 120.45 2cht n TRP 68 Ca 0.00 -0.66 0.14 0.00 -1.02 0.00 0.00 57.50 55.96 2cht n TRP 68 Cb 0.00 -0.43 0.42 0.00 -2.42 0.00 0.00 31.31 28.88 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 1.70 0.00 -0.05 -0.99 4.15 -1.88 -3.26 115.11 114.77 2cht h GLN 69 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 2cht h GLN 69 Cb 1.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.24 2cht h GLN 69 CO 0.38 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.94 2cht n TYR 70 N -3.04 0.07 -2.21 3.99 4.01 -1.26 -4.97 117.16 113.75 2cht n TYR 70 Ca 0.02 -0.51 -0.43 0.00 -0.16 0.00 0.00 57.90 56.83 2cht n TYR 70 Cb 0.42 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 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 -1.04 3.88 0.13 -0.72 1.01 -1.23 -4.98 120.40 117.44 2cht s VAL 71 Ca 0.04 1.02 -0.33 0.00 0.00 0.00 0.00 61.98 62.71 2cht s VAL 71 Cb 0.02 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.48 2cht s VAL 71 CO 0.02 -0.25 1.67 -2.65 0.00 0.00 0.00 175.10 173.90 2cht n PRO 72 N 7.27 2.31 -4.20 2.72 -0.02 -1.26 -4.93 135.00 136.90 2cht n PRO 72 Ca 0.17 0.84 -0.18 0.00 -2.02 0.00 0.00 63.50 62.31 2cht n PRO 72 Cb 0.45 -2.64 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 2cht n PRO 72 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2cht s VAL 73 N 1.62 1.20 0.13 -1.45 1.01 -1.26 -1.05 120.40 120.59 2cht s VAL 73 Ca 0.81 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2cht s VAL 73 Cb -0.63 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 34.50 2cht s VAL 73 CO 0.39 -0.33 0.53 0.28 0.00 0.00 0.00 175.10 175.97 2cht s THR 74 N -1.74 0.03 0.27 3.92 -1.32 -1.01 -4.96 115.64 110.83 2cht s THR 74 Ca 0.03 -0.21 0.10 0.00 -1.21 0.00 0.00 61.69 60.41 2cht s THR 74 Cb -0.07 -1.05 -0.05 0.00 -1.51 0.00 0.00 72.50 69.83 2cht s THR 74 CO 0.02 -0.11 -0.08 0.00 -2.21 0.00 0.00 174.62 172.24 2cht s MET 76 N -3.62 1.06 -0.10 0.00 0.23 -0.56 -4.94 119.30 111.38 2cht s MET 76 Ca 0.31 -1.18 -0.24 0.00 -1.03 0.00 0.00 55.69 53.56 2cht s MET 76 Cb -0.06 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 2cht s MET 76 CO 0.18 -0.37 0.72 -1.14 -2.03 0.00 0.00 175.02 172.38 2cht s GLN 77 N -3.96 4.39 0.33 3.16 0.74 -1.26 -2.60 119.66 120.46 2cht s GLN 77 Ca 0.16 0.89 -0.28 0.00 0.05 0.00 0.00 55.36 56.18 2cht s GLN 77 Cb 0.04 -3.49 -0.09 0.00 1.10 0.00 0.00 33.01 30.57 2cht s GLN 77 CO -0.02 -0.04 1.14 -2.00 -0.55 0.00 0.00 175.29 173.82 2cht s GLU 78 N 1.18 4.40 0.43 1.67 2.56 0.05 -4.88 118.70 124.10 2cht s GLU 78 Ca 0.37 1.84 -0.26 0.00 0.00 0.00 0.00 54.97 56.92 2cht s GLU 78 Cb -0.17 -2.97 -0.09 0.00 2.00 0.00 0.00 34.13 32.90 2cht s GLU 78 CO 0.16 -0.02 1.42 0.00 -0.56 0.00 0.00 175.26 176.27 2cht s MET 79 N -1.83 3.82 -0.45 4.30 0.23 -1.26 -4.37 119.30 119.74 2cht s MET 79 Ca 0.50 2.41 -0.26 0.00 -1.03 0.00 0.00 55.69 57.31 2cht s MET 79 Cb -0.32 -2.74 0.03 0.00 -1.53 0.00 0.00 34.83 30.27 2cht s MET 79 CO 0.41 -0.70 0.95 0.34 -2.03 0.00 0.00 175.02 173.98 2cht s ASP 80 N -0.46 6.54 -0.08 -1.18 2.15 -1.26 -4.93 116.67 117.45 2cht s ASP 80 Ca 0.58 0.23 0.03 0.00 0.43 0.00 0.00 52.55 53.83 2cht s ASP 80 Cb -0.44 -2.46 -0.01 0.00 -0.30 0.00 0.00 42.92 39.71 2cht s ASP 80 CO 0.57 -1.05 -0.19 -0.69 -0.17 0.00 0.00 175.17 173.65 2cht s VAL 81 N 3.80 2.61 -0.36 1.11 1.01 -1.26 -5.05 120.40 122.27 2cht s VAL 81 Ca 0.39 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2cht s VAL 81 Cb -0.10 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.17 2cht s VAL 81 CO 0.26 0.56 2.28 0.41 0.00 0.00 0.00 175.10 178.61 2cht n THR 82 N 3.06 0.19 -0.61 3.92 -1.04 -1.26 0.45 114.28 118.99 2cht n THR 82 Ca -0.18 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 2cht n THR 82 Cb 0.52 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 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 6.12 0.62 3.83 3.41 0.00 -1.26 -5.07 105.19 112.84 2cht n GLY 83 Ca 0.37 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.60 1.81 0.14 -0.02 0.00 0.17 -4.97 107.32 101.84 2cht s GLY 84 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.54 2cht s GLY 84 CO 0.00 0.43 1.21 -2.27 0.00 0.00 0.00 173.10 172.46 2cht s LEU 85 N -5.09 4.42 0.46 0.66 2.96 -1.26 -4.98 118.68 115.85 2cht s LEU 85 Ca 0.59 2.16 -0.04 0.00 -0.22 0.00 0.00 54.13 56.62 2cht s LEU 85 Cb -0.13 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2cht s LEU 85 CO 0.48 -0.42 0.75 -0.54 -1.32 0.00 0.00 176.35 175.30 2cht s LYS 86 N 0.28 3.53 -1.14 1.98 -0.14 -1.26 -4.39 119.74 118.59 2cht s LYS 86 Ca 0.55 0.11 -0.21 0.00 -1.36 0.00 0.00 55.97 55.06 2cht s LYS 86 Cb -0.32 -2.42 0.03 0.00 -1.68 0.00 0.00 37.83 33.44 2cht s LYS 86 CO 0.34 -0.15 0.40 1.63 -0.76 0.00 0.00 175.35 176.81 2cht n LYS 87 N -2.19 -0.50 -5.00 1.68 5.02 -1.26 -4.78 118.16 111.12 2cht n LYS 87 Ca -0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 2cht n LYS 87 Cb 0.55 -2.32 -0.14 0.00 -0.02 0.00 0.00 35.03 33.11 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 -0.49 3.15 0.05 0.00 1.01 -0.39 -2.16 121.20 122.36 2cht s ILE 89 Ca 0.06 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.03 2cht s ILE 89 Cb -0.12 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2cht s ILE 89 CO 0.01 0.56 -0.15 -0.13 0.00 0.00 0.00 174.94 175.23 2cht s ARG 90 N -0.84 0.96 -0.04 2.79 0.52 -0.65 -0.73 118.95 120.97 2cht s ARG 90 Ca 0.12 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.53 2cht s ARG 90 Cb -0.11 -1.00 -0.00 0.00 0.52 0.00 0.00 34.95 34.36 2cht s ARG 90 CO 0.01 0.24 -0.14 0.54 0.02 0.00 0.00 175.30 175.97 2cht s VAL 91 N -0.95 1.21 -0.36 3.52 0.11 -0.21 -1.92 120.40 121.81 2cht s VAL 91 Ca 0.02 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.49 2cht s VAL 91 Cb -0.08 -1.05 0.10 0.00 -1.53 0.00 0.00 36.38 33.81 2cht s VAL 91 CO 0.02 0.36 0.09 -0.32 -3.33 0.00 0.00 175.10 171.91 2cht s MET 92 N 0.10 1.70 -0.42 1.54 1.75 -0.58 -1.25 119.30 122.15 2cht s MET 92 Ca -0.04 -1.82 -0.15 0.00 -1.25 0.00 0.00 55.69 52.44 2cht s MET 92 Cb -0.11 -3.31 0.03 0.00 2.84 0.00 0.00 34.83 34.29 2cht s MET 92 CO 0.02 -0.95 0.31 1.41 -0.65 0.00 0.00 175.02 175.15 2cht s MET 93 N 0.99 2.95 -0.11 4.11 1.75 0.52 -1.79 119.30 127.72 2cht s MET 93 Ca 0.09 -1.11 -0.25 0.00 -1.25 0.00 0.00 55.69 53.17 2cht s MET 93 Cb -0.20 -3.99 -0.02 0.00 2.84 0.00 0.00 34.83 33.46 2cht s MET 93 CO -0.06 -0.81 0.81 0.99 -0.65 0.00 0.00 175.02 175.29 2cht s THR 94 N 1.65 4.93 0.07 10.11 2.01 -0.66 -1.12 115.64 132.62 2cht s THR 94 Ca 0.04 1.63 0.01 0.00 0.31 0.00 0.00 61.69 63.68 2cht s THR 94 Cb -0.20 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2cht s THR 94 CO 0.09 0.12 -0.05 0.68 -0.69 0.00 0.00 174.62 174.77 2cht s VAL 95 N 1.55 0.43 -0.29 3.82 -7.23 0.07 -0.60 120.40 118.15 2cht s VAL 95 Ca 0.40 -1.69 -0.17 0.00 -1.81 0.00 0.00 61.98 58.71 2cht s VAL 95 Cb -0.18 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.38 2cht s VAL 95 CO 0.16 -0.83 0.48 -1.58 -0.31 0.00 0.00 175.10 173.02 2cht s GLN 96 N -3.39 3.92 0.07 4.82 0.74 -0.31 -0.08 119.66 125.43 2cht s GLN 96 Ca 0.05 0.10 -0.12 0.00 0.05 0.00 0.00 55.36 55.44 2cht s GLN 96 Cb 0.03 -3.70 0.01 0.00 1.10 0.00 0.00 33.01 30.46 2cht s GLN 96 CO -0.06 -0.42 0.28 -0.08 -0.55 0.00 0.00 175.29 174.46 2cht s THR 97 N 2.27 0.10 -0.92 -0.34 -1.32 -0.43 -4.92 115.64 110.08 2cht s THR 97 Ca 0.19 -0.83 0.14 0.00 -1.21 0.00 0.00 61.69 59.97 2cht s THR 97 Cb -0.16 -1.10 -0.08 0.00 -1.51 0.00 0.00 72.50 69.65 2cht s THR 97 CO 0.11 -0.46 0.66 0.47 -2.21 0.00 0.00 174.62 173.19 2cht n ASP 98 N 0.24 1.01 -4.77 8.08 8.00 -1.26 0.77 116.55 128.62 2cht n ASP 98 Ca -0.17 -1.01 -0.40 0.00 0.71 0.00 0.00 54.79 53.92 2cht n ASP 98 Cb 0.61 0.76 -0.01 0.00 -0.02 0.00 0.00 41.12 42.47 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 -2.02 2.60 0.64 2.53 1.01 -1.26 -4.91 120.40 119.00 2cht s VAL 99 Ca 0.08 0.56 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 2cht s VAL 99 Cb 0.11 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2cht s VAL 99 CO 0.46 0.10 1.05 -2.16 0.00 0.00 0.00 175.10 174.55 2cht s PRO 100 N -2.10 3.22 0.23 2.72 0.04 -1.26 -4.89 135.00 132.96 2cht s PRO 100 Ca 0.54 0.99 -0.16 0.00 0.04 0.00 0.00 61.00 62.41 2cht s PRO 100 Cb -0.39 -2.03 0.25 0.00 0.04 0.00 0.00 34.50 32.38 2cht s PRO 100 CO 0.51 -0.87 1.57 0.37 0.04 0.00 0.00 177.00 178.62 2cht h GLN 101 N -0.21 -0.04 0.00 4.56 5.75 -1.97 0.10 115.11 123.29 2cht h GLN 101 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2cht h GLN 101 Cb 1.21 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.77 2cht h GLN 101 CO 0.58 -0.03 0.00 -0.40 -2.65 0.00 0.00 178.83 176.33 2cht n ASP 102 N -5.49 0.00 -0.01 -0.69 5.75 -1.26 -2.70 116.55 112.15 2cht n ASP 102 Ca 0.10 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 2cht n ASP 102 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.88 0.22 -2.08 0.11 1.13 -0.01 -5.01 117.38 110.87 2cht n GLN 103 Ca 0.18 -0.44 -0.41 0.00 -1.94 0.00 0.00 57.00 54.38 2cht n GLN 103 Cb 0.08 -0.93 -0.02 0.00 0.11 0.00 0.00 30.24 29.48 2cht n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2cht s ILE 104 N -0.18 2.75 -0.32 5.09 -1.09 -1.02 -4.93 121.20 121.50 2cht s ILE 104 Ca 0.00 0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 58.99 2cht s ILE 104 Cb 0.00 -3.43 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 2cht s ILE 104 CO 0.01 0.13 0.19 -0.13 -1.23 0.00 0.00 174.94 173.91 2cht s ARG 105 N -0.95 3.41 0.06 2.79 0.52 -1.26 -5.05 118.95 118.47 2cht s ARG 105 Ca 0.55 -0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 55.02 2cht s ARG 105 Cb -0.40 -3.67 -0.05 0.00 0.52 0.00 0.00 34.95 31.35 2cht s ARG 105 CO 0.47 -0.43 0.31 -1.01 0.02 0.00 0.00 175.30 174.66 2cht s HIS 106 N 1.66 3.54 -0.13 -0.53 3.76 -1.26 -4.68 115.29 117.66 2cht s HIS 106 Ca 0.05 0.55 -0.01 0.00 -0.15 0.00 0.00 55.06 55.51 2cht s HIS 106 Cb -0.17 -1.99 0.03 0.00 1.11 0.00 0.00 32.58 31.56 2cht s HIS 106 CO 0.08 0.55 -0.05 0.08 -0.85 0.00 0.00 174.74 174.54 2cht s VAL 107 N -1.44 0.95 -0.11 -0.90 1.01 -0.51 -4.99 120.40 114.41 2cht s VAL 107 Ca 0.33 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2cht s VAL 107 Cb -0.13 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2cht s VAL 107 CO 0.20 0.26 -0.13 -0.31 0.00 0.00 0.00 175.10 175.12 2cht s TYR 108 N 1.73 2.80 0.19 5.22 1.51 -1.26 -2.38 117.35 125.16 2cht s TYR 108 Ca 0.03 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 2cht s TYR 108 Cb -0.13 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 2cht s TYR 108 CO -0.08 -0.10 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.75 2cht s LEU 109 N 0.09 2.15 0.00 -1.29 1.43 0.07 -4.55 118.68 116.58 2cht s LEU 109 Ca -0.05 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 2cht s LEU 109 Cb -0.15 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.95 2cht s LEU 109 CO 0.04 -0.54 0.00 -0.62 0.23 0.00 0.00 176.35 175.46 2cht n GLU 110 N -0.29 0.00 0.28 1.70 -0.58 -1.26 -1.57 120.64 118.92 2cht n GLU 110 Ca -0.06 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.84 2cht n GLU 110 Cb 0.63 0.00 0.71 0.00 -0.57 0.00 0.00 31.44 32.21 2cht n GLU 110 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2cht h LYS 111 N 0.00 0.00 0.00 3.49 1.79 -1.92 -2.71 116.57 117.22 2cht h LYS 111 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2cht h LYS 111 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2cht h LYS 111 CO 0.00 0.04 0.00 0.00 -1.08 0.00 0.00 179.45 178.41 2cht n ALA 112 N -2.12 1.10 0.12 3.86 0.00 -0.61 -2.55 120.51 120.31 2cht n ALA 112 Ca 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2cht n ALA 112 Cb 0.30 -1.01 0.75 0.00 0.00 0.00 0.00 19.45 19.49 2cht n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2cht h VAL 113 N 0.00 0.59 -0.00 0.00 -1.51 -1.55 -1.41 116.25 112.37 2cht h VAL 113 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2cht h VAL 113 Cb 0.01 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 2cht h VAL 113 CO 0.00 0.00 -0.04 0.55 -1.23 0.00 0.00 177.57 176.85 2cht n VAL 114 N -4.05 0.00 -0.02 7.19 3.14 -1.06 -4.24 118.33 119.29 2cht n VAL 114 Ca 0.05 -0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.27 2cht n VAL 114 Cb 0.45 -0.43 -0.10 0.00 -1.06 0.00 0.00 33.84 32.70 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 0.02 0.46 -6.75 6.55 3.38 -1.51 -3.39 115.31 114.06 2cht h LEU 115 Ca 0.00 -0.71 -0.58 0.00 0.09 0.00 0.00 57.88 56.68 2cht h LEU 115 Cb 0.47 -0.14 -0.39 0.00 0.09 0.00 0.00 40.66 40.68 2cht h LEU 115 CO 0.00 1.10 -0.81 -0.13 0.09 0.00 0.00 178.44 178.70 2cht s ARG 116 N -3.39 0.63 -0.05 1.13 1.81 -1.26 -4.98 118.95 112.83 2cht s ARG 116 Ca -0.14 -1.27 0.08 0.00 -1.72 0.00 0.00 55.73 52.69 2cht s ARG 116 Cb 0.03 -1.53 0.32 0.00 -0.45 0.00 0.00 34.95 33.33 2cht s ARG 116 CO 0.80 -1.14 1.16 -0.35 -0.68 0.00 0.00 175.30 175.08 2cht n PRO 117 N 4.27 2.20 -0.45 3.54 -0.04 -1.26 -3.98 135.00 139.28 2cht n PRO 117 Ca 0.06 -1.28 0.05 0.00 -0.04 0.00 0.00 63.50 62.30 2cht n PRO 117 Cb 0.38 -1.52 0.20 0.00 -0.04 0.00 0.00 33.50 32.52 2cht n PRO 117 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2cht n ASP 118 N 0.38 2.78 0.00 3.54 5.75 -1.26 -5.15 116.55 122.59 2cht n ASP 118 Ca 0.12 -3.36 0.00 0.00 -0.01 0.00 0.00 54.79 51.54 2cht n ASP 118 Cb 0.45 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2cht n ASP 118 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27