#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 1.89 0.12 1.12 1.09 -1.26 -1.11 121.20 123.04 2cht s ILE 3 Ca 0.00 -0.94 0.05 0.00 -1.10 0.00 0.00 60.65 58.65 2cht s ILE 3 Cb 0.00 -1.62 -0.04 0.00 -1.06 0.00 0.00 42.46 39.74 2cht s ILE 3 CO 0.00 0.52 -0.11 -0.13 -0.10 0.00 0.00 174.94 175.12 2cht s ARG 4 N 0.19 0.96 -0.14 2.79 1.81 0.93 -4.94 118.95 120.56 2cht s ARG 4 Ca -0.12 -1.26 -0.06 0.00 -1.72 0.00 0.00 55.73 52.57 2cht s ARG 4 Cb -0.16 -0.67 -0.04 0.00 -0.45 0.00 0.00 34.95 33.63 2cht s ARG 4 CO 0.06 0.11 0.07 0.20 -0.68 0.00 0.00 175.30 175.06 2cht s GLY 5 N -2.64 1.97 -0.29 -3.53 0.00 -1.26 -0.68 107.32 100.88 2cht s GLY 5 Ca 0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 2cht s GLY 5 CO 0.01 -0.24 0.03 -0.42 0.00 0.00 0.00 173.10 172.48 2cht s ILE 6 N -0.38 3.38 0.67 0.90 1.01 0.59 -4.93 121.20 122.44 2cht s ILE 6 Ca 0.09 -1.07 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 2cht s ILE 6 Cb -0.12 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 2cht s ILE 6 CO 0.02 -0.00 1.05 -0.13 0.00 0.00 0.00 174.94 175.88 2cht s ARG 7 N 1.37 3.17 -0.08 2.79 1.81 -1.26 -1.08 118.95 125.66 2cht s ARG 7 Ca -0.01 0.89 -0.30 0.00 -1.72 0.00 0.00 55.73 54.59 2cht s ARG 7 Cb -0.18 -2.02 0.11 0.00 -0.45 0.00 0.00 34.95 32.41 2cht s ARG 7 CO -0.00 -0.91 0.96 0.20 -0.68 0.00 0.00 175.30 174.87 2cht s GLY 8 N -3.90 -0.38 -0.14 -3.53 0.00 -1.15 -2.17 107.32 96.06 2cht s GLY 8 Ca 0.57 1.41 -0.30 0.00 0.00 0.00 0.00 44.72 46.40 2cht s GLY 8 CO 0.54 0.58 0.88 0.00 0.00 0.00 0.00 173.10 175.10 2cht s ALA 9 N -2.40 -1.87 0.30 3.20 0.00 -0.73 -0.82 121.76 119.45 2cht s ALA 9 Ca 0.03 1.54 -0.10 0.00 0.00 0.00 0.00 51.96 53.44 2cht s ALA 9 Cb -0.01 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.56 2cht s ALA 9 CO -0.05 -0.32 0.53 -0.08 0.00 0.00 0.00 175.76 175.83 2cht s THR 10 N -0.93 0.00 0.26 0.00 -1.32 0.06 -0.48 115.64 113.23 2cht s THR 10 Ca -0.04 -1.41 0.06 0.00 -1.21 0.00 0.00 61.69 59.09 2cht s THR 10 Cb -0.01 -2.44 -0.06 0.00 -1.51 0.00 0.00 72.50 68.48 2cht s THR 10 CO 0.04 0.00 -0.07 0.42 -2.21 0.00 0.00 174.62 172.80 2cht s THR 11 N -3.46 1.60 0.11 5.08 -4.23 -1.25 -0.62 115.64 112.86 2cht s THR 11 Ca 0.24 -2.13 0.07 0.00 -1.18 0.00 0.00 61.69 58.69 2cht s THR 11 Cb -0.01 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 2cht s THR 11 CO 0.13 -0.34 -0.18 0.68 -0.54 0.00 0.00 174.62 174.37 2cht s VAL 12 N -3.04 1.50 0.03 2.29 -7.23 -0.58 -4.84 120.40 108.53 2cht s VAL 12 Ca 0.28 -1.56 0.10 0.00 -1.81 0.00 0.00 61.98 59.00 2cht s VAL 12 Cb 0.03 -1.46 -0.22 0.00 0.56 0.00 0.00 36.38 35.29 2cht s VAL 12 CO 0.11 -0.20 0.93 -0.08 -0.31 0.00 0.00 175.10 175.55 2cht h GLU 13 N 3.93 0.00 -4.36 4.82 4.57 -1.94 -3.45 114.58 118.15 2cht h GLU 13 Ca -0.43 -0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.46 2cht h GLU 13 Cb 1.19 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 29.53 2cht h GLU 13 CO 0.43 0.71 -0.74 1.03 -1.18 0.00 0.00 179.01 179.26 2cht s ARG 14 N -2.65 0.43 -1.22 1.92 0.52 -1.26 -5.06 118.95 111.64 2cht s ARG 14 Ca -0.02 -0.44 -0.20 0.00 -0.52 0.00 0.00 55.73 54.56 2cht s ARG 14 Cb 0.09 -0.31 0.05 0.00 0.52 0.00 0.00 34.95 35.31 2cht s ARG 14 CO 0.82 0.07 1.68 0.34 0.02 0.00 0.00 175.30 178.24 2cht s ASP 15 N -0.79 6.62 0.12 0.23 2.15 -1.26 -4.66 116.67 119.07 2cht s ASP 15 Ca -0.04 -2.13 0.07 0.00 0.43 0.00 0.00 52.55 50.88 2cht s ASP 15 Cb -0.06 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 2cht s ASP 15 CO 0.00 -1.39 -0.16 0.28 -0.17 0.00 0.00 175.17 173.72 2cht s THR 16 N 4.92 1.46 0.08 1.71 -1.32 -1.26 -4.73 115.64 116.50 2cht s THR 16 Ca 0.53 -1.64 -0.37 0.00 -1.21 0.00 0.00 61.69 59.00 2cht s THR 16 Cb 0.03 -1.51 -0.19 0.00 -1.51 0.00 0.00 72.50 69.32 2cht s THR 16 CO 0.04 -0.29 1.57 -0.08 -2.21 0.00 0.00 174.62 173.65 2cht h GLU 17 N 3.73 -1.09 -0.97 7.08 4.81 -1.90 -2.08 114.58 124.16 2cht h GLU 17 Ca -0.42 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.04 2cht h GLU 17 Cb 1.19 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 30.73 2cht h GLU 17 CO 0.46 -0.73 0.61 1.49 -0.73 0.00 0.00 179.01 180.12 2cht h GLU 18 N -1.13 0.77 0.02 1.92 4.81 -1.97 0.42 114.58 119.41 2cht h GLU 18 Ca -0.09 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.89 2cht h GLU 18 Cb 0.94 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2cht h GLU 18 CO 0.04 0.51 -0.92 1.49 -0.73 0.00 0.00 179.01 179.40 2cht h GLU 19 N 0.79 0.16 -0.36 1.92 4.81 -1.87 -0.97 114.58 119.07 2cht h GLU 19 Ca 0.51 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 2cht h GLU 19 Cb 0.75 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2cht h GLU 19 CO -0.28 0.97 -0.11 0.82 -0.73 0.00 0.00 179.01 179.68 2cht h ILE 20 N 0.08 1.28 -0.16 2.32 2.04 -0.24 -2.21 117.51 120.61 2cht h ILE 20 Ca -0.05 -1.19 -0.15 0.00 1.00 0.00 0.00 64.86 64.47 2cht h ILE 20 Cb 1.57 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 2cht h ILE 20 CO 0.14 0.39 -0.54 -0.07 0.00 0.00 0.00 178.15 178.07 2cht h LEU 21 N 0.49 0.54 0.59 1.44 3.38 -1.17 -2.40 115.31 118.19 2cht h LEU 21 Ca 0.09 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2cht h LEU 21 Cb 0.63 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2cht h LEU 21 CO 0.04 0.98 -0.28 -0.61 0.09 0.00 0.00 178.44 178.65 2cht h GLN 22 N 0.38 -0.76 -0.48 1.13 4.15 -1.15 -1.36 115.11 117.01 2cht h GLN 22 Ca 0.01 0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2cht h GLN 22 Cb 1.07 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 2cht h GLN 22 CO 0.10 -0.45 0.29 0.87 -1.93 0.00 0.00 178.83 177.70 2cht h LYS 23 N -0.97 0.64 -0.11 1.69 1.79 -1.42 -1.44 116.57 116.76 2cht h LYS 23 Ca -0.08 -0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.13 2cht h LYS 23 Cb 0.66 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2cht h LYS 23 CO 0.13 0.45 -0.73 1.15 -1.08 0.00 0.00 179.45 179.37 2cht h THR 24 N 0.66 1.31 -0.05 -0.16 2.02 -1.43 -1.88 112.91 113.37 2cht h THR 24 Ca 0.17 -1.97 0.02 0.00 0.77 0.00 0.00 66.41 65.40 2cht h THR 24 Cb -0.02 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2cht h THR 24 CO -0.03 0.61 -0.06 0.50 0.37 0.00 0.00 175.52 176.91 2cht h LYS 25 N 0.37 -0.08 -0.42 6.66 3.64 -0.81 -1.75 116.57 124.19 2cht h LYS 25 Ca -0.06 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2cht h LYS 25 Cb 1.37 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.15 2cht h LYS 25 CO 0.15 -0.05 0.03 1.96 -2.27 0.00 0.00 179.45 179.26 2cht h GLN 26 N -0.08 0.14 -0.33 1.90 4.20 -1.26 0.90 115.11 120.58 2cht h GLN 26 Ca 0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2cht h GLN 26 Cb 0.15 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2cht h GLN 26 CO -0.11 0.09 0.19 1.25 -0.67 0.00 0.00 178.83 179.58 2cht h LEU 27 N 0.14 0.41 -0.92 1.46 5.85 -1.00 -1.68 115.31 119.57 2cht h LEU 27 Ca 0.21 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2cht h LEU 27 Cb 0.29 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2cht h LEU 27 CO -0.32 0.37 0.11 -0.07 -0.34 0.00 0.00 178.44 178.18 2cht h LEU 28 N 0.42 0.85 -2.25 2.25 3.38 -1.01 -1.32 115.31 117.62 2cht h LEU 28 Ca 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2cht h LEU 28 Cb 0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2cht h LEU 28 CO -0.02 0.85 -0.04 -0.33 0.09 0.00 0.00 178.44 178.99 2cht h GLU 29 N 0.86 0.00 0.06 1.13 5.08 -0.39 -0.73 114.58 120.58 2cht h GLU 29 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2cht h GLU 29 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 2cht h GLU 29 CO 0.01 0.04 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.46 2cht h LYS 30 N 0.00 0.13 -0.01 2.33 1.63 -0.34 -2.90 116.57 117.41 2cht h LYS 30 Ca -0.00 -0.22 0.02 0.00 -0.85 0.00 0.00 60.65 59.59 2cht h LYS 30 Cb 0.09 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2cht h LYS 30 CO 0.00 1.11 -0.07 0.82 -3.45 0.00 0.00 179.45 177.86 2cht h ILE 31 N -0.73 0.81 0.10 2.00 2.04 -0.93 -1.19 117.51 119.61 2cht h ILE 31 Ca -0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2cht h ILE 31 Cb 1.28 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2cht h ILE 31 CO 0.06 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.57 2cht h ILE 32 N -0.12 0.93 0.26 -0.67 2.04 -1.27 0.03 117.51 118.70 2cht h ILE 32 Ca 0.03 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2cht h ILE 32 Cb 0.17 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2cht h ILE 32 CO -0.09 0.02 -0.36 -0.08 0.00 0.00 0.00 178.15 177.64 2cht h GLU 33 N -0.17 -0.62 0.00 2.37 4.81 -1.34 0.84 114.58 120.47 2cht h GLU 33 Ca -0.01 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2cht h GLU 33 Cb 0.13 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2cht h GLU 33 CO 0.02 -0.41 0.00 -0.85 -0.73 0.00 0.00 179.01 177.04 2cht n GLU 34 N -4.56 0.03 0.00 1.92 0.28 -0.46 -2.74 120.64 115.11 2cht n GLU 34 Ca -0.08 0.13 0.05 0.00 -0.16 0.00 0.00 57.16 57.10 2cht n GLU 34 Cb 0.31 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.66 2cht n GLU 34 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2cht n ASN 35 N -1.48 1.02 -3.72 -1.84 3.02 -0.01 -4.78 115.26 107.47 2cht n ASN 35 Ca 0.06 -1.01 -0.24 0.00 -0.03 0.00 0.00 54.58 53.36 2cht n ASN 35 Cb 0.24 0.62 0.04 0.00 -0.61 0.00 0.00 39.78 40.08 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 -0.53 -2.18 -2.40 3.10 8.25 0.29 -4.94 115.22 116.80 2cht n HIS 36 Ca 0.04 0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 57.97 2cht n HIS 36 Cb 0.20 -4.43 -0.03 0.00 1.12 0.00 0.00 29.99 26.86 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 -3.48 4.03 -0.03 1.59 2.01 -0.86 -5.03 115.64 113.87 2cht s THR 37 Ca 0.27 1.43 -0.03 0.00 0.31 0.00 0.00 61.69 63.67 2cht s THR 37 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2cht s THR 37 CO 0.80 0.08 0.16 -0.54 -0.69 0.00 0.00 174.62 174.42 2cht s LYS 38 N 1.44 3.38 0.22 4.92 -0.14 -1.26 -4.88 119.74 123.42 2cht s LYS 38 Ca 0.59 -0.31 -0.15 0.00 -1.36 0.00 0.00 55.97 54.73 2cht s LYS 38 Cb -0.29 -3.07 0.24 0.00 -1.68 0.00 0.00 37.83 33.02 2cht s LYS 38 CO 0.27 0.69 1.60 -1.00 -0.76 0.00 0.00 175.35 176.15 2cht h PRO 39 N 4.06 -0.06 0.00 -1.68 0.13 -1.96 -0.88 132.00 131.62 2cht h PRO 39 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2cht h PRO 39 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cht h PRO 39 CO 0.66 -0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.54 2cht n GLU 40 N -5.47 0.27 -0.16 0.86 0.00 -1.26 -0.61 120.64 114.26 2cht n GLU 40 Ca 0.08 0.11 0.11 0.00 0.00 0.00 0.00 57.16 57.45 2cht n GLU 40 Cb 0.37 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.59 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 -1.19 2.65 -4.43 -1.84 8.00 -0.33 -4.82 116.55 114.59 2cht n ASP 41 Ca 0.08 -1.89 -0.39 0.00 0.71 0.00 0.00 54.79 53.29 2cht n ASP 41 Cb 0.08 -0.22 -0.11 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.57 4.68 0.12 2.53 1.01 0.22 -0.42 120.40 126.98 2cht s VAL 42 Ca 0.35 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 2cht s VAL 42 Cb 0.20 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2cht s VAL 42 CO 0.28 -0.02 1.73 0.58 0.00 0.00 0.00 175.10 177.67 2cht h VAL 43 N 5.69 0.90 -1.80 2.92 2.07 -0.89 -3.45 116.25 121.69 2cht h VAL 43 Ca -0.30 -0.03 0.39 0.00 0.82 0.00 0.00 66.70 67.57 2cht h VAL 43 Cb 1.14 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 2cht h VAL 43 CO 0.63 0.02 0.98 0.00 0.02 0.00 0.00 177.57 179.22 2cht s GLN 44 N -6.19 0.13 -0.12 1.57 -2.07 -1.21 -4.71 119.66 107.06 2cht s GLN 44 Ca -0.13 -0.08 -0.11 0.00 -1.82 0.00 0.00 55.36 53.21 2cht s GLN 44 Cb 0.09 0.04 0.03 0.00 -1.09 0.00 0.00 33.01 32.08 2cht s GLN 44 CO 0.69 -0.06 0.32 1.41 -1.32 0.00 0.00 175.29 176.33 2cht s MET 45 N -2.04 0.37 -0.03 9.60 -2.45 0.14 -1.33 119.30 123.57 2cht s MET 45 Ca 0.27 0.45 0.02 0.00 -1.25 0.00 0.00 55.69 55.18 2cht s MET 45 Cb 0.02 0.18 -0.03 0.00 1.25 0.00 0.00 34.83 36.24 2cht s MET 45 CO -0.03 -0.05 -0.05 -0.51 1.05 0.00 0.00 175.02 175.43 2cht s LEU 46 N 0.19 3.28 -0.01 4.11 1.43 0.33 -2.32 118.68 125.70 2cht s LEU 46 Ca -0.00 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 2cht s LEU 46 Cb -0.02 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2cht s LEU 46 CO 0.00 0.31 -0.14 -0.76 0.23 0.00 0.00 176.35 176.00 2cht s LEU 47 N -1.22 2.04 0.02 1.79 1.43 -0.72 -0.94 118.68 121.08 2cht s LEU 47 Ca 0.16 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2cht s LEU 47 Cb -0.11 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 2cht s LEU 47 CO 0.06 0.16 -0.04 -0.94 0.23 0.00 0.00 176.35 175.82 2cht s SER 48 N -0.40 0.42 0.15 2.29 1.04 -0.49 -1.03 113.70 115.68 2cht s SER 48 Ca 0.05 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.18 2cht s SER 48 Cb -0.06 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 2cht s SER 48 CO -0.00 -0.18 -0.19 0.00 0.98 0.00 0.00 173.24 173.84 2cht s ALA 49 N -1.05 1.99 0.79 5.32 0.00 -1.19 -1.27 121.76 126.35 2cht s ALA 49 Ca -0.10 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.30 2cht s ALA 49 Cb -0.07 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 22.91 2cht s ALA 49 CO -0.00 0.27 1.09 0.95 0.00 0.00 0.00 175.76 178.07 2cht s THR 50 N -1.86 3.16 0.48 0.00 -4.23 -0.70 -1.74 115.64 110.75 2cht s THR 50 Ca 0.14 0.38 0.42 0.00 -1.18 0.00 0.00 61.69 61.45 2cht s THR 50 Cb -0.07 -3.12 0.62 0.00 1.34 0.00 0.00 72.50 71.28 2cht s THR 50 CO 0.06 -0.49 1.43 -2.65 -0.54 0.00 0.00 174.62 172.43 2cht n PRO 51 N -3.41 -0.01 0.00 3.99 -0.02 -1.26 -1.26 135.00 133.03 2cht n PRO 51 Ca 0.07 1.03 0.13 0.00 -2.02 0.00 0.00 63.50 62.71 2cht n PRO 51 Cb 0.56 -2.28 0.40 0.00 -0.02 0.00 0.00 33.50 32.15 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 -3.96 0.42 -4.74 2.55 5.68 -1.26 -4.84 116.55 110.40 2cht n ASP 52 Ca 0.40 -0.16 -0.36 0.00 -0.50 0.00 0.00 54.79 54.17 2cht n ASP 52 Cb 1.75 0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 41.67 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 -2.89 4.25 0.00 -2.12 1.43 -0.39 -4.88 118.68 114.08 2cht s LEU 53 Ca 0.15 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 2cht s LEU 53 Cb 0.18 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2cht s LEU 53 CO 0.62 0.14 0.02 1.41 0.23 0.00 0.00 176.35 178.76 2cht n HIS 54 N 3.43 0.00 -0.01 0.29 8.25 -1.26 -4.84 115.22 121.08 2cht n HIS 54 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.21 2cht n HIS 54 Cb 0.52 0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.57 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 0.08 -2.61 -1.41 0.00 -1.89 -3.47 119.26 109.96 2cht h ALA 55 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2cht h ALA 55 Cb 0.53 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 2cht h ALA 55 CO 0.00 -0.31 -0.33 0.54 0.00 0.00 0.00 179.25 179.16 2cht s VAL 56 N -5.34 0.08 -0.23 0.00 0.11 -1.26 -4.84 120.40 108.92 2cht s VAL 56 Ca -0.14 -1.33 -0.28 0.00 -2.93 0.00 0.00 61.98 57.30 2cht s VAL 56 Cb 0.05 -1.73 0.01 0.00 -1.53 0.00 0.00 36.38 33.18 2cht s VAL 56 CO 0.68 -0.37 0.99 -0.36 -3.33 0.00 0.00 175.10 172.71 2cht s PHE 57 N -3.94 3.34 0.49 1.54 0.08 -1.26 -4.92 117.98 113.30 2cht s PHE 57 Ca 0.14 1.39 0.23 0.00 0.12 0.00 0.00 56.93 58.82 2cht s PHE 57 Cb 0.04 -3.21 1.28 0.00 -0.57 0.00 0.00 43.02 40.56 2cht s PHE 57 CO -0.02 -0.45 1.93 -1.35 -0.10 0.00 0.00 175.22 175.22 2cht h PRO 58 N 7.49 0.16 -1.09 0.24 0.11 -1.97 -2.39 132.00 134.55 2cht h PRO 58 Ca -0.20 -0.01 0.32 0.00 0.11 0.00 0.00 66.00 66.21 2cht h PRO 58 Cb 1.07 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 2cht h PRO 58 CO 0.95 0.11 0.79 0.00 -0.21 0.00 0.00 178.00 179.64 2cht h ALA 59 N 1.65 3.03 0.00 -0.75 0.00 -1.94 -0.44 119.26 120.81 2cht h ALA 59 Ca 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2cht h ALA 59 Cb 1.16 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2cht h ALA 59 CO -0.06 -1.35 -0.01 -0.22 0.00 0.00 0.00 179.25 177.61 2cht h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.84 -1.12 116.57 117.25 2cht h LYS 60 Ca 0.52 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.88 2cht h LYS 60 Cb 2.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.91 2cht h LYS 60 CO -0.01 0.01 -0.08 0.00 -2.27 0.00 0.00 179.45 177.10 2cht h ALA 61 N 1.99 1.15 0.00 5.00 0.00 -1.30 -2.58 119.26 123.52 2cht h ALA 61 Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2cht h ALA 61 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2cht h ALA 61 CO 0.00 0.11 -0.41 0.28 0.00 0.00 0.00 179.25 179.22 2cht h VAL 62 N 0.00 1.05 0.00 0.00 2.07 -1.38 -1.04 116.25 116.95 2cht h VAL 62 Ca -0.00 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.97 2cht h VAL 62 Cb 0.35 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2cht h VAL 62 CO 0.01 0.40 0.00 0.03 0.02 0.00 0.00 177.57 178.03 2cht h ARG 63 N 0.00 0.00 0.00 1.57 2.47 -1.63 -2.00 114.38 114.79 2cht h ARG 63 Ca -0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 2cht h ARG 63 Cb 0.86 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.17 2cht h ARG 63 CO 0.05 0.00 -0.28 0.93 0.56 0.00 0.00 179.97 181.23 2cht h GLU 64 N 0.00 0.00 -5.71 0.04 5.08 -1.28 -3.42 114.58 109.28 2cht h GLU 64 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2cht h GLU 64 Cb 0.50 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 2cht h GLU 64 CO 0.00 0.28 0.37 -0.51 -1.00 0.00 0.00 179.01 178.15 2cht s LEU 65 N -6.59 4.08 0.24 1.33 1.43 -0.75 -4.98 118.68 113.43 2cht s LEU 65 Ca 0.02 0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 53.63 2cht s LEU 65 Cb 0.09 -3.06 -0.12 0.00 0.03 0.00 0.00 46.19 43.12 2cht s LEU 65 CO 0.67 -0.52 1.57 -1.20 0.23 0.00 0.00 176.35 177.11 2cht n SER 66 N 6.01 3.50 0.00 2.29 7.64 -1.26 -2.50 113.62 129.29 2cht n SER 66 Ca 0.03 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2cht n SER 66 Cb 0.48 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 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 2.70 0.55 0.67 0.23 0.00 -1.26 -4.90 105.19 103.18 2cht n GLY 67 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.77 0.03 -0.16 1.61 7.02 -1.04 -4.66 117.44 117.47 2cht n TRP 68 Ca 0.00 -0.01 0.28 0.00 -1.02 0.00 0.00 57.50 56.75 2cht n TRP 68 Cb 0.03 0.00 0.60 0.00 -2.42 0.00 0.00 31.31 29.51 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 3.22 0.00 -0.35 -0.99 4.15 -1.83 -0.13 115.11 119.19 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 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 2cht h GLN 69 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.56 2cht n TYR 70 N -3.52 0.46 -2.70 3.99 4.01 -1.26 -4.95 117.16 113.18 2cht n TYR 70 Ca 0.20 -0.41 -0.43 0.00 -0.16 0.00 0.00 57.90 57.10 2cht n TYR 70 Cb 1.25 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 40.23 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 -1.02 4.74 -0.23 -0.72 1.01 -0.06 -4.97 120.40 119.14 2cht s VAL 71 Ca 0.26 1.97 -0.29 0.00 0.00 0.00 0.00 61.98 63.93 2cht s VAL 71 Cb 0.14 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2cht s VAL 71 CO 0.19 -0.09 1.86 -2.84 0.00 0.00 0.00 175.10 174.22 2cht s PRO 72 N 2.68 3.50 0.10 2.72 0.02 -1.26 -4.96 135.00 137.80 2cht s PRO 72 Ca 0.44 1.76 0.05 0.00 0.02 0.00 0.00 61.00 63.28 2cht s PRO 72 Cb -0.16 -4.19 -0.03 0.00 0.02 0.00 0.00 34.50 30.14 2cht s PRO 72 CO 0.11 -1.66 -0.13 0.14 -0.33 0.00 0.00 177.00 175.13 2cht s VAL 73 N 6.48 1.15 0.15 3.83 -7.23 -1.26 -0.68 120.40 122.84 2cht s VAL 73 Ca 0.83 -1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 59.35 2cht s VAL 73 Cb -0.28 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.31 2cht s VAL 73 CO 0.33 -0.40 0.24 0.28 -0.31 0.00 0.00 175.10 175.25 2cht s THR 74 N -1.96 0.08 0.24 5.32 -1.32 -0.98 -4.97 115.64 112.05 2cht s THR 74 Ca 0.05 -1.43 0.12 0.00 -1.21 0.00 0.00 61.69 59.21 2cht s THR 74 Cb -0.06 -1.81 -0.05 0.00 -1.51 0.00 0.00 72.50 69.08 2cht s THR 74 CO 0.02 -0.36 -0.22 0.00 -2.21 0.00 0.00 174.62 171.85 2cht s MET 76 N -3.16 1.14 -0.16 0.00 0.23 -0.20 -4.93 119.30 112.23 2cht s MET 76 Ca 0.26 -1.31 -0.06 0.00 -1.03 0.00 0.00 55.69 53.55 2cht s MET 76 Cb -0.06 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 33.54 2cht s MET 76 CO 0.13 -0.40 0.04 -1.14 -2.03 0.00 0.00 175.02 171.62 2cht s GLN 77 N -4.02 3.75 0.48 3.16 0.74 -1.26 -3.16 119.66 119.35 2cht s GLN 77 Ca 0.22 -0.38 -0.20 0.00 0.05 0.00 0.00 55.36 55.05 2cht s GLN 77 Cb 0.04 -3.09 -0.08 0.00 1.10 0.00 0.00 33.01 30.98 2cht s GLN 77 CO 0.03 0.35 1.04 -2.00 -0.55 0.00 0.00 175.29 174.16 2cht s GLU 78 N 0.12 3.81 0.74 1.67 2.56 -0.71 -4.94 118.70 121.95 2cht s GLU 78 Ca 0.03 1.37 -0.15 0.00 0.00 0.00 0.00 54.97 56.22 2cht s GLU 78 Cb -0.13 -2.11 0.03 0.00 2.00 0.00 0.00 34.13 33.92 2cht s GLU 78 CO 0.01 -0.42 1.13 -1.33 -0.56 0.00 0.00 175.26 174.09 2cht n MET 79 N -0.93 0.53 -3.29 4.30 2.81 -1.26 -4.27 117.12 115.01 2cht n MET 79 Ca 0.09 0.25 -0.47 0.00 -1.81 0.00 0.00 57.70 55.76 2cht n MET 79 Cb 0.52 -2.38 -0.02 0.00 -0.71 0.00 0.00 33.22 30.63 2cht n MET 79 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2cht s ASP 80 N -1.75 6.69 0.01 7.83 2.15 -1.26 -4.79 116.67 125.54 2cht s ASP 80 Ca 0.76 -2.53 -0.13 0.00 0.43 0.00 0.00 52.55 51.08 2cht s ASP 80 Cb -0.33 -2.23 -0.06 0.00 -0.30 0.00 0.00 42.92 40.00 2cht s ASP 80 CO 0.48 -0.65 0.38 -0.69 -0.17 0.00 0.00 175.17 174.52 2cht s VAL 81 N 0.56 5.09 -0.53 1.11 1.01 -1.26 -5.00 120.40 121.37 2cht s VAL 81 Ca 0.17 0.70 -0.27 0.00 0.00 0.00 0.00 61.98 62.58 2cht s VAL 81 Cb -0.12 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2cht s VAL 81 CO -0.07 0.52 1.95 -0.89 0.00 0.00 0.00 175.10 176.60 2cht s THR 82 N -1.15 3.31 0.00 3.92 2.01 -1.26 -1.08 115.64 121.40 2cht s THR 82 Ca 0.25 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2cht s THR 82 Cb -0.16 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.65 2cht s THR 82 CO 0.14 -0.64 0.00 0.61 -0.69 0.00 0.00 174.62 174.03 2cht n GLY 83 N 5.70 1.62 3.76 4.40 0.00 -1.26 -5.09 105.19 114.32 2cht n GLY 83 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.60 2.90 -0.02 -0.02 0.00 -0.24 -4.91 107.32 103.42 2cht s GLY 84 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 44.72 45.73 2cht s GLY 84 CO 0.00 1.87 1.38 -2.27 0.00 0.00 0.00 173.10 174.08 2cht s LEU 85 N -2.88 4.30 0.67 0.66 2.96 -1.26 -4.96 118.68 118.18 2cht s LEU 85 Ca 0.63 2.05 -0.10 0.00 -0.22 0.00 0.00 54.13 56.49 2cht s LEU 85 Cb -0.40 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 42.75 2cht s LEU 85 CO 0.50 -0.72 1.05 -0.54 -1.32 0.00 0.00 176.35 175.31 2cht s LYS 86 N 2.55 2.90 -1.45 1.98 -0.14 -1.26 -4.23 119.74 120.09 2cht s LYS 86 Ca 0.63 0.36 -0.10 0.00 -1.36 0.00 0.00 55.97 55.49 2cht s LYS 86 Cb -0.30 -2.09 0.05 0.00 -1.68 0.00 0.00 37.83 33.82 2cht s LYS 86 CO 0.25 -0.94 0.97 1.63 -0.76 0.00 0.00 175.35 176.51 2cht n LYS 87 N -2.89 -5.92 -4.69 1.68 5.02 -1.26 -4.85 118.16 105.25 2cht n LYS 87 Ca 0.06 0.65 -0.34 0.00 -2.02 0.00 0.00 58.31 56.67 2cht n LYS 87 Cb 0.57 -5.52 -0.12 0.00 -0.02 0.00 0.00 35.03 29.94 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 -0.70 1.81 0.13 0.00 1.01 0.21 -1.71 121.20 121.94 2cht s ILE 89 Ca 0.11 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.82 2cht s ILE 89 Cb -0.11 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2cht s ILE 89 CO 0.01 0.31 0.03 -0.13 0.00 0.00 0.00 174.94 175.16 2cht s ARG 90 N 1.35 2.60 0.14 2.79 0.52 -0.39 -0.76 118.95 125.18 2cht s ARG 90 Ca 0.01 -0.91 0.07 0.00 -0.52 0.00 0.00 55.73 54.38 2cht s ARG 90 Cb -0.15 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 2cht s ARG 90 CO -0.10 0.51 -0.16 0.54 0.02 0.00 0.00 175.30 176.11 2cht s VAL 91 N -1.51 1.56 -0.24 3.52 0.11 0.00 -1.39 120.40 122.44 2cht s VAL 91 Ca 0.27 -1.77 -0.04 0.00 -2.93 0.00 0.00 61.98 57.51 2cht s VAL 91 Cb -0.11 -1.65 0.08 0.00 -1.53 0.00 0.00 36.38 33.18 2cht s VAL 91 CO 0.20 -0.34 0.11 -0.32 -3.33 0.00 0.00 175.10 171.42 2cht s MET 92 N -2.62 0.15 -0.27 1.54 1.75 -0.12 -2.91 119.30 116.82 2cht s MET 92 Ca 0.11 -0.36 -0.06 0.00 -1.25 0.00 0.00 55.69 54.13 2cht s MET 92 Cb -0.06 -1.43 0.00 0.00 2.84 0.00 0.00 34.83 36.19 2cht s MET 92 CO 0.05 -0.89 0.04 1.41 -0.65 0.00 0.00 175.02 174.98 2cht s MET 93 N 2.11 3.21 -0.22 4.11 1.75 -0.24 -0.51 119.30 129.51 2cht s MET 93 Ca 0.06 -0.76 -0.17 0.00 -1.25 0.00 0.00 55.69 53.56 2cht s MET 93 Cb -0.16 -3.26 -0.03 0.00 2.84 0.00 0.00 34.83 34.21 2cht s MET 93 CO -0.26 -0.35 0.48 0.99 -0.65 0.00 0.00 175.02 175.23 2cht s THR 94 N 1.50 5.12 0.21 10.11 2.01 -0.44 -0.30 115.64 133.85 2cht s THR 94 Ca 0.04 0.86 0.08 0.00 0.31 0.00 0.00 61.69 62.98 2cht s THR 94 Cb -0.16 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2cht s THR 94 CO 0.01 0.17 -0.15 0.68 -0.69 0.00 0.00 174.62 174.63 2cht s VAL 95 N 1.77 1.85 -0.25 3.82 -7.23 0.15 -0.22 120.40 120.29 2cht s VAL 95 Ca 0.22 -2.23 -0.14 0.00 -1.81 0.00 0.00 61.98 58.01 2cht s VAL 95 Cb -0.15 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 2cht s VAL 95 CO 0.09 -0.56 0.33 -1.58 -0.31 0.00 0.00 175.10 173.08 2cht s GLN 96 N -3.59 4.07 0.03 4.82 0.74 0.44 -0.05 119.66 126.11 2cht s GLN 96 Ca 0.23 0.02 -0.27 0.00 0.05 0.00 0.00 55.36 55.38 2cht s GLN 96 Cb -0.02 -3.60 0.07 0.00 1.10 0.00 0.00 33.01 30.56 2cht s GLN 96 CO 0.08 -0.15 0.64 -0.08 -0.55 0.00 0.00 175.29 175.23 2cht s THR 97 N 1.67 0.00 -0.08 -0.34 -1.32 -0.27 -4.94 115.64 110.37 2cht s THR 97 Ca 0.14 -0.03 0.14 0.00 -1.21 0.00 0.00 61.69 60.74 2cht s THR 97 Cb -0.15 -0.99 -0.14 0.00 -1.51 0.00 0.00 72.50 69.70 2cht s THR 97 CO 0.09 -0.01 0.93 0.44 -2.21 0.00 0.00 174.62 173.85 2cht h ASP 98 N 2.67 0.00 -1.43 8.08 3.32 -1.97 -2.61 116.42 124.48 2cht h ASP 98 Ca -0.30 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.01 2cht h ASP 98 Cb 1.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.76 2cht h ASP 98 CO 0.39 0.73 0.95 0.52 -1.72 0.00 0.00 179.24 180.11 2cht n VAL 99 N -3.04 0.27 -1.43 -1.35 0.31 -1.26 -4.89 118.33 106.95 2cht n VAL 99 Ca -0.09 -0.06 -0.32 0.00 -0.01 0.00 0.00 64.34 63.85 2cht n VAL 99 Cb 0.89 -1.19 0.08 0.00 -0.91 0.00 0.00 33.84 32.72 2cht n VAL 99 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2cht s PRO 100 N 3.82 2.30 0.31 5.55 0.04 -1.26 -4.83 135.00 140.93 2cht s PRO 100 Ca 1.00 1.42 0.08 0.00 0.04 0.00 0.00 61.00 63.54 2cht s PRO 100 Cb -1.10 -1.89 0.89 0.00 0.04 0.00 0.00 34.50 32.45 2cht s PRO 100 CO 0.66 -1.64 1.66 0.37 0.04 0.00 0.00 177.00 178.09 2cht h GLN 101 N -0.59 0.28 -0.14 4.56 4.15 -1.99 0.13 115.11 121.51 2cht h GLN 101 Ca -0.46 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2cht h GLN 101 Cb 1.25 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2cht h GLN 101 CO 0.51 0.19 0.00 -0.40 -1.93 0.00 0.00 178.83 177.20 2cht n ASP 102 N -5.12 1.07 -0.34 -0.69 5.75 -1.26 -3.29 116.55 112.67 2cht n ASP 102 Ca 0.26 -1.74 0.04 0.00 -0.01 0.00 0.00 54.79 53.34 2cht n ASP 102 Cb 0.82 -0.09 0.06 0.00 -1.03 0.00 0.00 41.12 40.87 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 -0.02 1.07 -2.48 0.11 1.13 0.44 -5.01 117.38 112.63 2cht n GLN 103 Ca 0.12 -1.28 -0.38 0.00 -1.94 0.00 0.00 57.00 53.52 2cht n GLN 103 Cb 0.21 -1.16 -0.04 0.00 0.11 0.00 0.00 30.24 29.37 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 -0.76 3.54 -0.41 5.09 -1.09 -1.21 -4.95 121.20 121.43 2cht s ILE 104 Ca 0.11 1.33 -0.16 0.00 -2.23 0.00 0.00 60.65 59.70 2cht s ILE 104 Cb 0.07 -3.76 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 2cht s ILE 104 CO 0.10 0.15 0.35 -0.13 -1.23 0.00 0.00 174.94 174.17 2cht s ARG 105 N -2.08 3.07 -0.15 2.79 0.52 -1.26 -5.04 118.95 116.81 2cht s ARG 105 Ca 0.53 -0.88 -0.15 0.00 -0.52 0.00 0.00 55.73 54.70 2cht s ARG 105 Cb -0.27 -3.96 -0.05 0.00 0.52 0.00 0.00 34.95 31.20 2cht s ARG 105 CO 0.34 -0.76 0.35 -1.01 0.02 0.00 0.00 175.30 174.25 2cht s HIS 106 N 1.85 3.48 -0.18 -0.53 3.76 -1.26 -4.80 115.29 117.60 2cht s HIS 106 Ca 0.08 0.69 -0.03 0.00 -0.15 0.00 0.00 55.06 55.65 2cht s HIS 106 Cb -0.18 -2.40 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 2cht s HIS 106 CO 0.11 0.23 -0.07 0.08 -0.85 0.00 0.00 174.74 174.24 2cht s VAL 107 N 0.48 3.32 -0.17 -0.90 1.01 -0.92 -4.94 120.40 118.28 2cht s VAL 107 Ca 0.19 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2cht s VAL 107 Cb -0.14 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2cht s VAL 107 CO 0.06 0.46 -0.15 -0.31 0.00 0.00 0.00 175.10 175.16 2cht s TYR 108 N 1.00 2.81 0.41 5.22 1.51 -1.26 -1.77 117.35 125.26 2cht s TYR 108 Ca -0.00 -1.23 0.06 0.00 -1.01 0.00 0.00 57.07 54.89 2cht s TYR 108 Cb -0.15 -1.93 -0.07 0.00 -0.11 0.00 0.00 41.96 39.70 2cht s TYR 108 CO -0.00 -0.60 0.02 -0.51 -1.11 0.00 0.00 175.55 173.35 2cht s LEU 109 N 1.08 2.67 0.00 -1.29 1.43 0.37 -4.31 118.68 118.64 2cht s LEU 109 Ca -0.00 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 2cht s LEU 109 Cb -0.14 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.30 2cht s LEU 109 CO -0.05 -0.54 0.00 -0.62 0.23 0.00 0.00 176.35 175.37 2cht n GLU 110 N -0.97 0.00 0.00 1.70 -0.58 -1.26 -0.83 120.64 118.71 2cht n GLU 110 Ca -0.07 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.72 2cht n GLU 110 Cb 0.67 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.75 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 0.05 0.00 3.49 5.02 -1.26 -2.13 118.16 137.32 2cht n LYS 111 Ca 0.00 0.29 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 2cht n LYS 111 Cb 0.00 -1.50 0.60 0.00 -0.02 0.00 0.00 35.03 34.11 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 -1.43 2.21 0.17 7.82 0.00 -0.01 -2.82 120.51 126.46 2cht n ALA 112 Ca 0.03 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.45 2cht n ALA 112 Cb 0.10 -1.39 0.49 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.31 0.80 1.21 0.00 0.24 -0.91 -1.00 118.33 117.36 2cht n VAL 113 Ca 0.11 0.75 0.14 0.00 -2.04 0.00 0.00 64.34 63.30 2cht n VAL 113 Cb 0.20 -1.75 0.67 0.00 -1.47 0.00 0.00 33.84 31.49 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 -2.18 0.08 -0.06 3.34 3.14 -1.13 -4.48 118.33 117.05 2cht n VAL 114 Ca -0.01 0.02 -0.15 0.00 -2.96 0.00 0.00 64.34 61.23 2cht n VAL 114 Cb 0.18 -0.55 -0.13 0.00 -1.06 0.00 0.00 33.84 32.28 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 0.06 0.00 6.55 3.38 -1.35 -3.54 115.31 120.42 2cht h LEU 115 Ca 0.00 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.01 2cht h LEU 115 Cb 0.34 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2cht h LEU 115 CO 0.00 1.09 0.00 0.54 0.09 0.00 0.00 178.44 180.16