#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 3.27 0.12 1.12 -4.36 -1.26 0.26 121.20 120.35 2cht s ILE 3 Ca 0.00 -0.97 0.05 0.00 -0.26 0.00 0.00 60.65 59.47 2cht s ILE 3 Cb 0.00 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.26 2cht s ILE 3 CO 0.00 0.36 -0.12 -0.13 0.24 0.00 0.00 174.94 175.29 2cht s ARG 4 N -1.46 0.98 0.12 0.37 1.81 0.35 -4.87 118.95 116.25 2cht s ARG 4 Ca 0.16 -1.27 -0.05 0.00 -1.72 0.00 0.00 55.73 52.86 2cht s ARG 4 Cb -0.11 -0.74 -0.05 0.00 -0.45 0.00 0.00 34.95 33.60 2cht s ARG 4 CO 0.07 0.13 0.35 0.20 -0.68 0.00 0.00 175.30 175.37 2cht s GLY 5 N -2.62 2.24 -0.05 -3.53 0.00 -1.26 -0.89 107.32 101.21 2cht s GLY 5 Ca 0.10 -0.58 0.04 0.00 0.00 0.00 0.00 44.72 44.28 2cht s GLY 5 CO 0.02 -0.49 -0.17 -0.42 0.00 0.00 0.00 173.10 172.04 2cht s ILE 6 N -1.60 1.44 -0.09 0.90 1.01 0.15 -4.94 121.20 118.06 2cht s ILE 6 Ca 0.39 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.34 2cht s ILE 6 Cb -0.12 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 2cht s ILE 6 CO 0.24 0.42 -0.10 -0.13 0.00 0.00 0.00 174.94 175.37 2cht s ARG 7 N 0.14 2.99 0.22 2.79 1.81 -1.26 -0.65 118.95 124.98 2cht s ARG 7 Ca -0.06 -0.61 0.01 0.00 -1.72 0.00 0.00 55.73 53.35 2cht s ARG 7 Cb -0.12 -2.60 -0.05 0.00 -0.45 0.00 0.00 34.95 31.72 2cht s ARG 7 CO 0.03 0.48 0.06 0.20 -0.68 0.00 0.00 175.30 175.38 2cht s GLY 8 N -0.33 1.49 -0.20 -3.53 0.00 -0.77 -0.94 107.32 103.04 2cht s GLY 8 Ca 0.04 -1.73 -0.27 0.00 0.00 0.00 0.00 44.72 42.75 2cht s GLY 8 CO 0.02 -1.55 0.82 0.00 0.00 0.00 0.00 173.10 172.39 2cht s ALA 9 N -3.73 -1.84 0.18 3.20 0.00 -0.01 -1.83 121.76 117.73 2cht s ALA 9 Ca 0.32 1.76 -0.13 0.00 0.00 0.00 0.00 51.96 53.90 2cht s ALA 9 Cb 0.07 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2cht s ALA 9 CO 0.09 -0.32 0.40 -0.08 0.00 0.00 0.00 175.76 175.85 2cht s THR 10 N -0.25 0.05 0.21 0.00 -1.32 0.68 -0.65 115.64 114.36 2cht s THR 10 Ca -0.02 -1.12 0.11 0.00 -1.21 0.00 0.00 61.69 59.46 2cht s THR 10 Cb -0.03 -1.73 -0.05 0.00 -1.51 0.00 0.00 72.50 69.18 2cht s THR 10 CO 0.02 -0.21 -0.23 0.42 -2.21 0.00 0.00 174.62 172.40 2cht s THR 11 N -3.93 2.36 0.19 5.08 -4.23 -1.26 -0.64 115.64 113.21 2cht s THR 11 Ca 0.14 -2.10 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 2cht s THR 11 Cb 0.01 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 2cht s THR 11 CO -0.01 -0.18 0.09 0.68 -0.54 0.00 0.00 174.62 174.66 2cht s VAL 12 N -1.85 4.15 -0.14 2.29 -7.23 -0.27 -4.84 120.40 112.52 2cht s VAL 12 Ca 0.22 -1.30 -0.09 0.00 -1.81 0.00 0.00 61.98 59.00 2cht s VAL 12 Cb -0.07 -3.14 -0.25 0.00 0.56 0.00 0.00 36.38 33.48 2cht s VAL 12 CO 0.11 -0.16 0.34 1.21 -0.31 0.00 0.00 175.10 176.28 2cht n GLU 13 N -0.44 0.73 -4.63 4.82 4.07 -1.26 -4.83 120.64 119.09 2cht n GLU 13 Ca -0.09 0.32 -0.29 0.00 -0.06 0.00 0.00 57.16 57.05 2cht n GLU 13 Cb 0.56 -1.72 -0.14 0.00 -0.06 0.00 0.00 31.44 30.08 2cht n GLU 13 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2cht s ARG 14 N -2.52 1.55 -0.91 5.31 0.52 -1.26 -5.04 118.95 116.60 2cht s ARG 14 Ca -0.24 -1.20 -0.21 0.00 -0.52 0.00 0.00 55.73 53.57 2cht s ARG 14 Cb 0.06 -1.86 -0.12 0.00 0.52 0.00 0.00 34.95 33.55 2cht s ARG 14 CO 0.74 0.46 1.96 -3.47 0.02 0.00 0.00 175.30 175.01 2cht n ASP 15 N 1.39 2.80 -4.41 0.23 2.03 -1.26 -4.71 116.55 112.60 2cht n ASP 15 Ca -0.18 -2.71 -0.28 0.00 0.52 0.00 0.00 54.79 52.15 2cht n ASP 15 Cb 0.53 -1.26 -0.12 0.00 -0.72 0.00 0.00 41.12 39.55 2cht n ASP 15 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2cht s THR 16 N 5.31 2.33 0.19 5.18 -4.23 -1.26 -4.58 115.64 118.59 2cht s THR 16 Ca 0.57 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 59.05 2cht s THR 16 Cb 0.13 -2.09 0.10 0.00 1.34 0.00 0.00 72.50 71.98 2cht s THR 16 CO 0.09 -0.03 1.79 -0.08 -0.54 0.00 0.00 174.62 175.85 2cht h GLU 17 N 3.47 0.51 -0.42 3.99 4.81 -1.91 -2.17 114.58 122.87 2cht h GLU 17 Ca -0.48 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2cht h GLU 17 Cb 1.19 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 2cht h GLU 17 CO 0.44 0.34 0.11 1.49 -0.73 0.00 0.00 179.01 180.66 2cht h GLU 18 N 0.53 0.24 -0.18 1.92 4.81 -1.96 -2.62 114.58 117.33 2cht h GLU 18 Ca 0.25 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2cht h GLU 18 Cb 0.17 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2cht h GLU 18 CO -0.18 0.16 -0.09 1.49 -0.73 0.00 0.00 179.01 179.66 2cht h GLU 19 N 0.25 0.37 -1.00 1.92 4.81 -1.79 0.78 114.58 119.92 2cht h GLU 19 Ca 0.20 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2cht h GLU 19 Cb 0.23 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2cht h GLU 19 CO -0.24 0.68 0.66 0.82 -0.73 0.00 0.00 179.01 180.20 2cht h ILE 20 N 0.05 1.24 -0.05 2.32 2.04 -1.29 -0.39 117.51 121.43 2cht h ILE 20 Ca 0.04 -0.46 -0.19 0.00 1.00 0.00 0.00 64.86 65.25 2cht h ILE 20 Cb 0.57 -0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2cht h ILE 20 CO 0.03 0.24 -0.72 -0.07 0.00 0.00 0.00 178.15 177.63 2cht h LEU 21 N 1.34 0.72 0.04 1.44 3.38 -1.35 -1.61 115.31 119.27 2cht h LEU 21 Ca 0.37 -0.70 0.02 0.00 0.09 0.00 0.00 57.88 57.67 2cht h LEU 21 Cb -0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 2cht h LEU 21 CO -0.09 1.32 -0.20 -0.61 0.09 0.00 0.00 178.44 178.95 2cht h GLN 22 N 0.19 -0.33 -0.10 1.13 4.15 -0.37 -0.01 115.11 119.77 2cht h GLN 22 Ca -0.07 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2cht h GLN 22 Cb 1.38 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.14 2cht h GLN 22 CO 0.14 -0.22 0.03 0.87 -1.93 0.00 0.00 178.83 177.73 2cht h LYS 23 N -0.34 0.15 0.04 1.69 1.79 -1.18 -2.46 116.57 116.27 2cht h LYS 23 Ca 0.05 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2cht h LYS 23 Cb 0.40 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2cht h LYS 23 CO -0.16 0.30 -0.03 1.15 -1.08 0.00 0.00 179.45 179.63 2cht h THR 24 N -0.02 0.94 -0.53 -0.16 2.02 -1.06 -0.99 112.91 113.11 2cht h THR 24 Ca 0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.27 2cht h THR 24 Cb 0.21 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 2cht h THR 24 CO -0.00 0.00 0.24 0.50 0.37 0.00 0.00 175.52 176.63 2cht h LYS 25 N -0.07 0.44 -0.11 6.66 3.64 -1.03 -0.17 116.57 125.93 2cht h LYS 25 Ca -0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2cht h LYS 25 Cb 0.06 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2cht h LYS 25 CO 0.00 0.29 -0.10 1.96 -2.27 0.00 0.00 179.45 179.34 2cht h GLN 26 N 0.45 0.16 0.08 1.90 4.20 -0.96 -0.56 115.11 120.38 2cht h GLN 26 Ca 0.25 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 2cht h GLN 26 Cb 0.21 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2cht h GLN 26 CO -0.21 0.27 -0.04 1.25 -0.67 0.00 0.00 178.83 179.43 2cht h LEU 27 N 0.15 -0.09 -0.05 1.46 5.85 0.28 -2.88 115.31 120.03 2cht h LEU 27 Ca 0.03 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.35 2cht h LEU 27 Cb 0.28 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2cht h LEU 27 CO 0.02 0.40 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.41 2cht h LEU 28 N -0.61 -0.09 -1.60 2.25 3.38 -0.94 -0.82 115.31 116.89 2cht h LEU 28 Ca -0.01 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.24 2cht h LEU 28 Cb 0.50 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 2cht h LEU 28 CO 0.02 -0.04 0.68 -0.33 0.09 0.00 0.00 178.44 178.86 2cht h GLU 29 N -0.03 0.26 0.15 1.13 5.08 -1.19 -0.50 114.58 119.48 2cht h GLU 29 Ca 0.03 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.10 2cht h GLU 29 Cb 0.07 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.29 2cht h GLU 29 CO -0.07 0.17 -1.17 -0.22 -1.00 0.00 0.00 179.01 176.73 2cht h LYS 30 N 0.27 0.53 -0.51 2.33 1.63 -0.95 -1.85 116.57 118.03 2cht h LYS 30 Ca 0.53 -0.77 0.07 0.00 -0.85 0.00 0.00 60.65 59.64 2cht h LYS 30 Cb 1.58 0.27 -0.06 0.00 -0.60 0.00 0.00 32.23 33.41 2cht h LYS 30 CO -0.17 1.35 0.16 0.82 -3.45 0.00 0.00 179.45 178.16 2cht h ILE 31 N 0.09 0.80 0.51 2.00 2.04 -0.42 -0.33 117.51 122.19 2cht h ILE 31 Ca -0.19 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2cht h ILE 31 Cb 1.88 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2cht h ILE 31 CO 0.22 0.06 -0.24 0.40 0.00 0.00 0.00 178.15 178.59 2cht h ILE 32 N 0.33 0.47 -0.38 -0.67 2.04 -1.13 0.14 117.51 118.32 2cht h ILE 32 Ca 0.25 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.96 2cht h ILE 32 Cb 0.28 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 2cht h ILE 32 CO -0.27 0.03 -0.50 -0.08 0.00 0.00 0.00 178.15 177.33 2cht h GLU 33 N -0.81 -0.38 -0.30 2.37 4.81 -1.17 1.03 114.58 120.13 2cht h GLU 33 Ca -0.07 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2cht h GLU 33 Cb 0.58 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2cht h GLU 33 CO 0.11 -0.25 0.16 0.93 -0.73 0.00 0.00 179.01 179.23 2cht h GLU 34 N -0.39 0.41 -0.36 1.92 4.39 -1.01 -3.02 114.58 116.52 2cht h GLU 34 Ca 0.10 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2cht h GLU 34 Cb 0.60 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2cht h GLU 34 CO -0.57 0.31 0.00 0.09 -1.16 0.00 0.00 179.01 177.68 2cht n ASN 35 N -4.45 3.04 -1.66 1.42 3.02 0.49 -4.82 115.26 112.30 2cht n ASN 35 Ca 0.01 -2.06 -0.10 0.00 -0.03 0.00 0.00 54.58 52.39 2cht n ASN 35 Cb 0.10 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 0.50 -0.81 -2.09 3.10 8.25 0.34 -4.88 115.22 119.63 2cht n HIS 36 Ca 0.13 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 2cht n HIS 36 Cb 0.47 -2.33 -0.03 0.00 1.12 0.00 0.00 29.99 29.22 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 -2.09 2.92 -0.06 1.59 2.01 -1.19 -5.04 115.64 113.78 2cht s THR 37 Ca 0.00 0.74 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 2cht s THR 37 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2cht s THR 37 CO 0.00 0.10 0.06 -0.54 -0.69 0.00 0.00 174.62 173.55 2cht s LYS 38 N 0.01 3.10 0.31 4.92 -0.14 -1.26 -4.96 119.74 121.72 2cht s LYS 38 Ca 0.60 -0.39 0.09 0.00 -1.36 0.00 0.00 55.97 54.91 2cht s LYS 38 Cb -0.40 -2.89 0.86 0.00 -1.68 0.00 0.00 37.83 33.72 2cht s LYS 38 CO 0.39 0.70 1.72 -1.00 -0.76 0.00 0.00 175.35 176.40 2cht h PRO 39 N 4.70 0.54 0.00 -1.68 0.13 -1.96 -1.32 132.00 132.41 2cht h PRO 39 Ca -0.51 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2cht h PRO 39 Cb 1.20 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2cht h PRO 39 CO 0.58 0.36 0.00 1.05 -0.23 0.00 0.00 178.00 179.76 2cht h GLU 40 N 0.56 0.00 -0.01 0.86 9.09 -1.95 -0.41 114.58 122.72 2cht h GLU 40 Ca 0.63 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.04 2cht h GLU 40 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2cht h GLU 40 CO -0.48 0.00 -0.24 -0.25 0.05 0.00 0.00 179.01 178.08 2cht n ASP 41 N -2.66 1.37 -4.59 3.06 8.00 -0.50 -4.78 116.55 116.45 2cht n ASP 41 Ca -0.00 -1.15 -0.43 0.00 0.71 0.00 0.00 54.79 53.92 2cht n ASP 41 Cb 0.16 0.17 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 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 -2.39 4.55 0.10 2.53 1.01 -0.16 -0.07 120.40 125.97 2cht s VAL 42 Ca 0.26 1.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.98 2cht s VAL 42 Cb 0.19 -4.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 2cht s VAL 42 CO 0.49 -0.64 1.66 0.58 0.00 0.00 0.00 175.10 177.19 2cht h VAL 43 N 5.91 0.54 -1.70 2.92 2.07 -1.42 -3.47 116.25 121.10 2cht h VAL 43 Ca -0.24 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.59 2cht h VAL 43 Cb 1.08 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.28 2cht h VAL 43 CO 0.99 0.00 0.81 0.00 0.02 0.00 0.00 177.57 179.39 2cht s GLN 44 N -6.10 0.50 -0.01 1.57 -2.07 -1.25 -4.63 119.66 107.68 2cht s GLN 44 Ca -0.15 -0.29 -0.06 0.00 -1.82 0.00 0.00 55.36 53.04 2cht s GLN 44 Cb 0.07 0.16 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 2cht s GLN 44 CO 0.65 -0.23 0.12 1.41 -1.32 0.00 0.00 175.29 175.92 2cht s MET 45 N -2.39 0.38 -0.05 9.60 1.75 0.36 -1.73 119.30 127.22 2cht s MET 45 Ca 0.17 -0.27 0.04 0.00 -1.25 0.00 0.00 55.69 54.38 2cht s MET 45 Cb 0.03 0.16 -0.00 0.00 2.84 0.00 0.00 34.83 37.86 2cht s MET 45 CO -0.02 -0.08 -0.16 -0.51 -0.65 0.00 0.00 175.02 173.60 2cht s LEU 46 N -1.02 1.87 -0.12 4.11 1.43 -0.75 -2.14 118.68 122.06 2cht s LEU 46 Ca -0.11 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2cht s LEU 46 Cb -0.06 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.26 2cht s LEU 46 CO 0.01 0.13 -0.14 -0.76 0.23 0.00 0.00 176.35 175.81 2cht s LEU 47 N 0.15 1.66 0.29 1.79 1.43 -0.31 -1.75 118.68 121.94 2cht s LEU 47 Ca -0.06 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2cht s LEU 47 Cb -0.12 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 2cht s LEU 47 CO 0.02 -0.02 0.24 -0.94 0.23 0.00 0.00 176.35 175.88 2cht s SER 48 N 1.21 5.43 0.02 2.29 1.04 -0.20 -1.15 113.70 122.34 2cht s SER 48 Ca -0.02 -0.35 -0.17 0.00 0.48 0.00 0.00 55.95 55.89 2cht s SER 48 Cb -0.14 -1.22 0.03 0.00 0.10 0.00 0.00 66.02 64.79 2cht s SER 48 CO -0.05 -0.18 0.36 0.00 0.98 0.00 0.00 173.24 174.36 2cht s ALA 49 N -2.21 -0.89 0.54 5.32 0.00 -0.82 -1.98 121.76 121.72 2cht s ALA 49 Ca 0.36 0.30 -0.16 0.00 0.00 0.00 0.00 51.96 52.46 2cht s ALA 49 Cb -0.07 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 2cht s ALA 49 CO 0.26 -0.37 1.01 0.95 0.00 0.00 0.00 175.76 177.61 2cht s THR 50 N -2.00 4.30 -0.07 0.00 -4.23 -0.98 -0.93 115.64 111.73 2cht s THR 50 Ca -0.09 1.11 0.13 0.00 -1.18 0.00 0.00 61.69 61.66 2cht s THR 50 Cb -0.02 -3.61 0.13 0.00 1.34 0.00 0.00 72.50 70.33 2cht s THR 50 CO 0.01 -0.62 1.28 -2.65 -0.54 0.00 0.00 174.62 172.10 2cht n PRO 51 N -1.70 0.09 -0.02 3.99 -0.02 -1.26 -1.76 135.00 134.32 2cht n PRO 51 Ca 0.07 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2cht n PRO 51 Cb 0.54 -2.04 0.55 0.00 -0.02 0.00 0.00 33.50 32.53 2cht n PRO 51 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2cht n ASP 52 N -1.99 0.64 -4.25 2.55 5.68 -1.26 -4.80 116.55 113.10 2cht n ASP 52 Ca -0.01 -1.45 -0.33 0.00 -0.50 0.00 0.00 54.79 52.49 2cht n ASP 52 Cb 0.28 -0.03 -0.15 0.00 -1.14 0.00 0.00 41.12 40.07 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 -1.68 2.49 0.00 -2.12 1.43 -0.72 -4.92 118.68 113.16 2cht s LEU 53 Ca 0.33 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2cht s LEU 53 Cb 0.16 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.81 2cht s LEU 53 CO 0.26 0.06 0.35 1.41 0.23 0.00 0.00 176.35 178.67 2cht n HIS 54 N 4.20 0.00 -0.27 0.29 8.25 -1.26 -4.93 115.22 121.50 2cht n HIS 54 Ca -0.19 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.21 2cht n HIS 54 Cb 0.51 0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.71 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 0.95 -1.70 -1.41 0.00 -1.90 -3.47 119.26 111.74 2cht h ALA 55 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2cht h ALA 55 Cb 0.96 -0.29 -0.21 0.00 0.00 0.00 0.00 17.79 18.25 2cht h ALA 55 CO 0.00 0.51 0.53 0.54 0.00 0.00 0.00 179.25 180.83 2cht s VAL 56 N -5.73 0.00 0.18 0.00 0.11 -1.26 -4.60 120.40 109.10 2cht s VAL 56 Ca -0.13 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.62 2cht s VAL 56 Cb 0.15 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.91 2cht s VAL 56 CO 0.81 0.00 1.43 -0.36 -3.33 0.00 0.00 175.10 173.65 2cht s PHE 57 N -1.50 3.15 0.44 1.54 0.08 -1.26 -4.91 117.98 115.52 2cht s PHE 57 Ca -0.01 0.94 0.15 0.00 0.12 0.00 0.00 56.93 58.13 2cht s PHE 57 Cb -0.01 -3.76 1.06 0.00 -0.57 0.00 0.00 43.02 39.74 2cht s PHE 57 CO -0.00 -2.62 1.99 -1.35 -0.10 0.00 0.00 175.22 173.13 2cht h PRO 58 N 6.11 0.36 -0.69 0.24 0.11 -1.92 -0.36 132.00 135.84 2cht h PRO 58 Ca -0.44 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.84 2cht h PRO 58 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2cht h PRO 58 CO 0.84 0.24 0.49 0.00 -0.21 0.00 0.00 178.00 179.36 2cht h ALA 59 N 1.71 2.58 0.00 -0.75 0.00 -1.92 -0.19 119.26 120.69 2cht h ALA 59 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2cht h ALA 59 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2cht h ALA 59 CO -0.07 -0.78 0.00 -0.22 0.00 0.00 0.00 179.25 178.18 2cht h LYS 60 N 0.05 0.00 -0.49 0.00 3.64 -1.44 -1.70 116.57 116.62 2cht h LYS 60 Ca 0.33 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.60 2cht h LYS 60 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2cht h LYS 60 CO -0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 179.45 177.03 2cht h ALA 61 N 2.07 0.67 -0.64 5.00 0.00 -1.20 -3.16 119.26 122.00 2cht h ALA 61 Ca 0.00 -0.35 0.18 0.00 0.00 0.00 0.00 54.91 54.73 2cht h ALA 61 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2cht h ALA 61 CO 0.00 0.60 0.46 0.28 0.00 0.00 0.00 179.25 180.58 2cht h VAL 62 N 0.81 0.70 -0.09 0.00 2.07 -1.46 -0.77 116.25 117.50 2cht h VAL 62 Ca 0.12 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.65 2cht h VAL 62 Cb 0.69 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2cht h VAL 62 CO 0.05 0.01 0.16 0.03 0.02 0.00 0.00 177.57 177.84 2cht h ARG 63 N 0.05 0.00 -0.62 1.57 3.08 -1.68 -0.63 114.38 116.14 2cht h ARG 63 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2cht h ARG 63 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2cht h ARG 63 CO -0.02 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.97 2cht n GLU 64 N -3.45 2.95 -3.57 0.04 2.13 -0.30 -4.71 120.64 113.72 2cht n GLU 64 Ca -0.01 -2.31 -0.41 0.00 0.66 0.00 0.00 57.16 55.10 2cht n GLU 64 Cb 0.26 -1.67 -0.11 0.00 0.27 0.00 0.00 31.44 30.19 2cht n GLU 64 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2cht s LEU 65 N -1.38 4.63 0.10 4.31 1.43 -0.25 -5.03 118.68 122.49 2cht s LEU 65 Ca 0.42 -0.78 -0.31 0.00 -1.03 0.00 0.00 54.13 52.43 2cht s LEU 65 Cb 0.25 -2.06 -0.11 0.00 0.03 0.00 0.00 46.19 44.30 2cht s LEU 65 CO 0.23 -0.33 1.86 -1.20 0.23 0.00 0.00 176.35 177.14 2cht n SER 66 N 5.04 4.02 0.00 2.29 7.64 -1.26 -1.67 113.62 129.68 2cht n SER 66 Ca -0.12 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.73 2cht n SER 66 Cb 0.47 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 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 4.28 0.79 0.21 0.23 0.00 -1.26 -4.93 105.19 104.50 2cht n GLY 67 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 -0.24 1.61 7.02 -0.67 -4.56 117.44 118.59 2cht n TRP 68 Ca 0.00 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.68 2cht n TRP 68 Cb 0.00 -0.13 0.38 0.00 -2.42 0.00 0.00 31.31 29.14 2cht n TRP 68 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 2cht n GLN 69 N -0.70 -0.05 -0.72 -0.99 -0.06 -1.26 -0.37 117.38 113.23 2cht n GLN 69 Ca 0.14 1.05 0.07 0.00 -2.00 0.00 0.00 57.00 56.26 2cht n GLN 69 Cb 0.31 -1.82 0.34 0.00 -4.06 0.00 0.00 30.24 25.01 2cht n GLN 69 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2cht n TYR 70 N -4.77 1.62 -2.85 3.69 4.01 -1.26 -4.90 117.16 112.69 2cht n TYR 70 Ca 0.25 -0.83 -0.42 0.00 -0.16 0.00 0.00 57.90 56.74 2cht n TYR 70 Cb 0.86 -0.44 -0.04 0.00 -0.31 0.00 0.00 39.34 39.40 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 -2.82 4.64 -0.00 -0.72 1.01 0.50 -5.02 120.40 117.99 2cht s VAL 71 Ca 0.49 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 2cht s VAL 71 Cb 0.39 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2cht s VAL 71 CO 0.13 -0.48 1.38 -2.16 0.00 0.00 0.00 175.10 173.96 2cht s PRO 72 N 3.33 4.29 0.09 2.72 0.04 -1.26 -4.92 135.00 139.29 2cht s PRO 72 Ca 0.36 1.93 0.08 0.00 0.04 0.00 0.00 61.00 63.41 2cht s PRO 72 Cb -0.12 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 2cht s PRO 72 CO 0.18 -0.56 -0.20 0.14 0.04 0.00 0.00 177.00 176.59 2cht s VAL 73 N 2.36 1.67 0.02 -0.36 -7.23 -1.26 -0.49 120.40 115.11 2cht s VAL 73 Ca 0.63 -1.45 -0.14 0.00 -1.81 0.00 0.00 61.98 59.21 2cht s VAL 73 Cb -0.31 -1.51 0.02 0.00 0.56 0.00 0.00 36.38 35.15 2cht s VAL 73 CO 0.26 -0.01 0.30 0.28 -0.31 0.00 0.00 175.10 175.62 2cht s THR 74 N -1.08 0.07 0.40 5.32 -1.32 -0.91 -4.96 115.64 113.16 2cht s THR 74 Ca 0.06 -0.61 0.08 0.00 -1.21 0.00 0.00 61.69 60.01 2cht s THR 74 Cb -0.10 -0.80 -0.02 0.00 -1.51 0.00 0.00 72.50 70.07 2cht s THR 74 CO 0.04 -0.33 0.37 0.00 -2.21 0.00 0.00 174.62 172.48 2cht s MET 76 N -4.11 1.37 -0.18 0.00 0.23 -0.30 -4.87 119.30 111.44 2cht s MET 76 Ca 0.47 -0.68 -0.23 0.00 -1.03 0.00 0.00 55.69 54.22 2cht s MET 76 Cb -0.04 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 33.76 2cht s MET 76 CO 0.28 -0.62 0.73 -0.65 -2.03 0.00 0.00 175.02 172.74 2cht s GLN 77 N -3.59 4.26 0.46 3.16 -0.21 -1.26 -1.95 119.66 120.52 2cht s GLN 77 Ca 0.08 0.83 -0.20 0.00 0.02 0.00 0.00 55.36 56.08 2cht s GLN 77 Cb -0.03 -3.57 -0.10 0.00 1.00 0.00 0.00 33.01 30.31 2cht s GLN 77 CO -0.01 -0.28 0.99 -2.00 -2.12 0.00 0.00 175.29 171.87 2cht s GLU 78 N 2.00 4.03 0.62 2.91 2.56 -0.10 -4.89 118.70 125.83 2cht s GLU 78 Ca 0.34 1.21 -0.16 0.00 0.00 0.00 0.00 54.97 56.36 2cht s GLU 78 Cb -0.16 -2.14 -0.02 0.00 2.00 0.00 0.00 34.13 33.80 2cht s GLU 78 CO 0.12 -0.21 1.11 0.00 -0.56 0.00 0.00 175.26 175.72 2cht s MET 79 N -3.24 3.02 -1.33 4.30 0.23 -1.26 -4.29 119.30 116.72 2cht s MET 79 Ca 0.64 1.44 -0.17 0.00 -1.03 0.00 0.00 55.69 56.57 2cht s MET 79 Cb -0.12 -1.97 0.07 0.00 -1.53 0.00 0.00 34.83 31.27 2cht s MET 79 CO 0.17 -1.09 1.83 -3.47 -2.03 0.00 0.00 175.02 170.43 2cht n ASP 80 N -2.04 4.74 -4.78 -1.18 -0.08 -1.26 -4.84 116.55 107.11 2cht n ASP 80 Ca 0.11 -2.91 -0.39 0.00 -1.51 0.00 0.00 54.79 50.09 2cht n ASP 80 Cb 0.52 -1.73 -0.06 0.00 2.34 0.00 0.00 41.12 42.19 2cht n ASP 80 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2cht s VAL 81 N 3.98 4.81 -0.29 5.18 1.01 -1.26 -5.01 120.40 128.82 2cht s VAL 81 Ca 0.52 1.27 -0.28 0.00 0.00 0.00 0.00 61.98 63.49 2cht s VAL 81 Cb 0.06 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2cht s VAL 81 CO 0.05 0.48 1.88 -0.89 0.00 0.00 0.00 175.10 176.61 2cht s THR 82 N -0.61 3.38 0.00 3.92 2.01 -1.26 -2.06 115.64 121.03 2cht s THR 82 Ca 0.31 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.70 2cht s THR 82 Cb -0.19 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.83 2cht s THR 82 CO 0.19 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 2cht n GLY 83 N 5.42 0.72 3.86 4.40 0.00 -1.26 -5.08 105.19 113.25 2cht n GLY 83 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.47 1.62 0.21 -0.02 0.00 -0.87 -5.00 107.32 101.79 2cht s GLY 84 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.09 2cht s GLY 84 CO 0.00 0.08 1.24 -2.27 0.00 0.00 0.00 173.10 172.15 2cht s LEU 85 N -5.54 4.44 0.59 0.66 2.96 -1.26 -4.99 118.68 115.55 2cht s LEU 85 Ca 0.60 2.33 -0.06 0.00 -0.22 0.00 0.00 54.13 56.77 2cht s LEU 85 Cb -0.12 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.96 2cht s LEU 85 CO 0.52 -0.43 0.91 -0.54 -1.32 0.00 0.00 176.35 175.50 2cht s LYS 86 N -0.39 2.99 -1.46 1.98 -0.14 -1.26 -4.46 119.74 116.99 2cht s LYS 86 Ca 0.53 0.07 -0.03 0.00 -1.36 0.00 0.00 55.97 55.18 2cht s LYS 86 Cb -0.35 -2.25 0.03 0.00 -1.68 0.00 0.00 37.83 33.58 2cht s LYS 86 CO 0.39 -0.68 0.47 1.63 -0.76 0.00 0.00 175.35 176.39 2cht n LYS 87 N -2.60 -3.23 -4.47 1.68 5.02 -1.26 -4.84 118.16 108.47 2cht n LYS 87 Ca 0.04 0.39 -0.31 0.00 -2.02 0.00 0.00 58.31 56.42 2cht n LYS 87 Cb 0.57 -4.60 -0.17 0.00 -0.02 0.00 0.00 35.03 30.82 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 1.00 4.81 0.23 0.00 1.09 0.19 -2.32 121.20 126.20 2cht s ILE 89 Ca -0.04 -0.03 0.11 0.00 -1.10 0.00 0.00 60.65 59.59 2cht s ILE 89 Cb -0.15 -3.17 -0.05 0.00 -1.06 0.00 0.00 42.46 38.04 2cht s ILE 89 CO -0.04 0.46 -0.20 -0.13 -0.10 0.00 0.00 174.94 174.93 2cht s ARG 90 N 0.39 1.53 -0.00 2.79 0.52 -0.84 -0.23 118.95 123.11 2cht s ARG 90 Ca 0.03 -1.64 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2cht s ARG 90 Cb -0.12 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.73 2cht s ARG 90 CO 0.00 0.31 -0.01 0.54 0.02 0.00 0.00 175.30 176.16 2cht s VAL 91 N -2.35 0.11 -0.39 3.52 0.11 -0.76 -1.04 120.40 119.60 2cht s VAL 91 Ca 0.25 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2cht s VAL 91 Cb -0.05 -0.12 0.11 0.00 -1.53 0.00 0.00 36.38 34.79 2cht s VAL 91 CO 0.11 0.04 0.15 -0.32 -3.33 0.00 0.00 175.10 171.76 2cht s MET 92 N 0.08 1.80 -0.24 1.54 1.75 -0.72 -1.85 119.30 121.66 2cht s MET 92 Ca -0.00 -1.90 -0.13 0.00 -1.25 0.00 0.00 55.69 52.40 2cht s MET 92 Cb -0.02 -3.42 -0.04 0.00 2.84 0.00 0.00 34.83 34.18 2cht s MET 92 CO -0.00 -1.02 0.27 1.41 -0.65 0.00 0.00 175.02 175.02 2cht s MET 93 N 0.94 4.07 -0.40 4.11 0.00 0.17 -1.81 119.30 126.39 2cht s MET 93 Ca 0.10 -0.09 -0.14 0.00 0.00 0.00 0.00 55.69 55.56 2cht s MET 93 Cb -0.21 -3.58 0.02 0.00 0.00 0.00 0.00 34.83 31.06 2cht s MET 93 CO -0.06 -0.06 0.28 0.99 0.00 0.00 0.00 175.02 176.17 2cht s THR 94 N 1.40 5.12 0.18 10.11 2.01 -0.70 0.34 115.64 134.09 2cht s THR 94 Ca 0.12 -0.68 0.07 0.00 0.31 0.00 0.00 61.69 61.52 2cht s THR 94 Cb -0.15 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2cht s THR 94 CO 0.07 -0.28 0.00 0.68 -0.69 0.00 0.00 174.62 174.40 2cht s VAL 95 N 1.66 3.71 -0.23 3.82 -7.23 -0.07 -1.13 120.40 120.92 2cht s VAL 95 Ca 0.04 -1.45 -0.28 0.00 -1.81 0.00 0.00 61.98 58.49 2cht s VAL 95 Cb -0.19 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 33.88 2cht s VAL 95 CO 0.09 -0.13 0.98 -1.58 -0.31 0.00 0.00 175.10 174.16 2cht s GLN 96 N -2.99 4.24 0.10 4.82 0.74 0.90 -0.50 119.66 126.98 2cht s GLN 96 Ca 0.28 1.24 -0.18 0.00 0.05 0.00 0.00 55.36 56.75 2cht s GLN 96 Cb -0.09 -3.64 0.04 0.00 1.10 0.00 0.00 33.01 30.42 2cht s GLN 96 CO 0.19 -0.59 0.43 -0.08 -0.55 0.00 0.00 175.29 174.69 2cht s THR 97 N 3.06 0.06 -0.88 -0.34 -1.32 0.14 -4.93 115.64 111.43 2cht s THR 97 Ca 0.42 -0.48 0.20 0.00 -1.21 0.00 0.00 61.69 60.61 2cht s THR 97 Cb -0.15 -1.08 -0.22 0.00 -1.51 0.00 0.00 72.50 69.53 2cht s THR 97 CO 0.07 -0.27 0.82 -0.67 -2.21 0.00 0.00 174.62 172.36 2cht n ASP 98 N 0.02 0.90 -4.76 8.08 2.03 -1.26 -3.28 116.55 118.27 2cht n ASP 98 Ca -0.17 -0.91 -0.40 0.00 0.52 0.00 0.00 54.79 53.83 2cht n ASP 98 Cb 0.62 1.06 -0.04 0.00 -0.72 0.00 0.00 41.12 42.04 2cht n ASP 98 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2cht s VAL 99 N -2.91 3.46 0.39 5.18 1.01 -1.26 -5.00 120.40 121.26 2cht s VAL 99 Ca 0.07 1.47 -0.23 0.00 0.00 0.00 0.00 61.98 63.28 2cht s VAL 99 Cb 0.15 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 2cht s VAL 99 CO 0.82 0.35 0.99 -2.16 0.00 0.00 0.00 175.10 175.10 2cht s PRO 100 N -1.45 4.28 0.00 2.72 0.04 -1.26 -4.89 135.00 134.44 2cht s PRO 100 Ca 0.45 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2cht s PRO 100 Cb -0.32 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2cht s PRO 100 CO 0.41 -0.00 0.00 0.94 0.04 0.00 0.00 177.00 178.39 2cht n GLN 101 N -0.11 0.00 -0.19 4.56 -0.06 -1.26 0.38 117.38 120.69 2cht n GLN 101 Ca 0.05 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.16 2cht n GLN 101 Cb 0.51 0.00 0.26 0.00 -4.06 0.00 0.00 30.24 26.95 2cht n GLN 101 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2cht n ASP 102 N -3.37 3.05 -0.13 1.69 5.75 -1.26 -3.76 116.55 118.52 2cht n ASP 102 Ca 0.00 -1.94 0.04 0.00 -0.01 0.00 0.00 54.79 52.88 2cht n ASP 102 Cb 0.00 -0.25 0.07 0.00 -1.03 0.00 0.00 41.12 39.90 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 1.21 2.48 -2.88 0.11 6.02 0.16 -4.98 117.38 119.50 2cht n GLN 103 Ca 0.19 -1.93 -0.40 0.00 -0.01 0.00 0.00 57.00 54.84 2cht n GLN 103 Cb 0.53 -1.21 -0.05 0.00 1.02 0.00 0.00 30.24 30.53 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 -1.64 4.67 -0.50 5.09 -1.09 -1.22 -4.91 121.20 121.60 2cht s ILE 104 Ca 0.14 1.80 -0.16 0.00 -2.23 0.00 0.00 60.65 60.19 2cht s ILE 104 Cb 0.11 -4.19 0.09 0.00 -1.58 0.00 0.00 42.46 36.88 2cht s ILE 104 CO 0.03 0.33 0.48 -0.13 -1.23 0.00 0.00 174.94 174.42 2cht s ARG 105 N 0.06 3.01 0.00 2.79 1.81 -1.26 -5.04 118.95 120.33 2cht s ARG 105 Ca 0.42 -1.36 -0.25 0.00 -1.72 0.00 0.00 55.73 52.83 2cht s ARG 105 Cb -0.21 -4.18 -0.05 0.00 -0.45 0.00 0.00 34.95 30.06 2cht s ARG 105 CO 0.25 -1.17 0.77 -1.01 -0.68 0.00 0.00 175.30 173.46 2cht s HIS 106 N 1.88 3.67 -0.24 -0.53 3.76 -1.26 -4.81 115.29 117.76 2cht s HIS 106 Ca 0.06 1.42 -0.04 0.00 -0.15 0.00 0.00 55.06 56.35 2cht s HIS 106 Cb -0.25 -2.85 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2cht s HIS 106 CO 0.07 0.18 -0.03 0.08 -0.85 0.00 0.00 174.74 174.18 2cht s VAL 107 N 0.36 3.34 -0.17 -0.90 1.01 -0.11 -4.98 120.40 118.95 2cht s VAL 107 Ca 0.40 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2cht s VAL 107 Cb -0.20 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2cht s VAL 107 CO 0.22 0.34 -0.18 -0.31 0.00 0.00 0.00 175.10 175.16 2cht s TYR 108 N 1.45 2.77 0.34 5.22 2.02 -1.26 -0.83 117.35 127.06 2cht s TYR 108 Ca 0.04 -1.39 0.07 0.00 -0.37 0.00 0.00 57.07 55.42 2cht s TYR 108 Cb -0.15 -1.91 -0.07 0.00 -0.40 0.00 0.00 41.96 39.44 2cht s TYR 108 CO -0.03 -0.67 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.73 2cht s LEU 109 N 1.10 2.61 0.00 -1.29 1.43 0.17 -4.40 118.68 118.31 2cht s LEU 109 Ca 0.00 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 2cht s LEU 109 Cb -0.14 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.30 2cht s LEU 109 CO -0.07 -0.36 0.00 -0.62 0.23 0.00 0.00 176.35 175.53 2cht n GLU 110 N -0.76 0.00 0.06 1.70 -0.58 -1.26 -1.31 120.64 118.50 2cht n GLU 110 Ca -0.05 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.82 2cht n GLU 110 Cb 0.65 0.00 0.41 0.00 -0.57 0.00 0.00 31.44 31.93 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 0.18 0.00 3.49 5.02 -1.26 -3.34 118.16 136.25 2cht n LYS 111 Ca 0.00 0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.48 2cht n LYS 111 Cb 0.00 -1.69 0.32 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.70 1.76 0.29 7.82 0.00 -0.42 -2.74 120.51 125.52 2cht n ALA 112 Ca 0.06 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2cht n ALA 112 Cb 0.40 -1.20 0.62 0.00 0.00 0.00 0.00 19.45 19.27 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 0.00 0.00 0.00 -1.51 -1.64 -2.76 116.25 110.34 2cht h VAL 113 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 2cht h VAL 113 Cb 0.10 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2cht h VAL 113 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 177.57 176.89 2cht n VAL 114 N -2.42 0.00 0.36 7.19 3.14 -1.11 -5.04 118.33 120.45 2cht n VAL 114 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.43 2cht n VAL 114 Cb 0.15 -0.10 0.04 0.00 -1.06 0.00 0.00 33.84 32.87 2cht n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55