#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 1.49 0.29 1.12 -4.36 -1.26 -1.01 121.20 117.46 2cht s ILE 3 Ca 0.00 -0.71 0.09 0.00 -0.26 0.00 0.00 60.65 59.78 2cht s ILE 3 Cb 0.00 -1.31 -0.06 0.00 1.25 0.00 0.00 42.46 42.35 2cht s ILE 3 CO 0.00 0.43 -0.12 -0.13 0.24 0.00 0.00 174.94 175.36 2cht s ARG 4 N 0.37 1.62 -0.02 0.37 0.52 0.61 -4.94 118.95 117.49 2cht s ARG 4 Ca -0.12 -1.79 -0.00 0.00 -0.52 0.00 0.00 55.73 53.29 2cht s ARG 4 Cb -0.15 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 2cht s ARG 4 CO 0.05 0.17 0.05 0.20 0.02 0.00 0.00 175.30 175.79 2cht s GLY 5 N -3.49 1.96 -0.03 -3.53 0.00 -1.26 -0.24 107.32 100.73 2cht s GLY 5 Ca 0.29 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 44.19 2cht s GLY 5 CO 0.13 -0.74 -0.20 -0.42 0.00 0.00 0.00 173.10 171.87 2cht s ILE 6 N -1.12 1.62 -0.00 0.90 1.01 0.52 -4.96 121.20 119.17 2cht s ILE 6 Ca 0.21 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2cht s ILE 6 Cb -0.12 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2cht s ILE 6 CO 0.11 0.46 -0.06 -0.13 0.00 0.00 0.00 174.94 175.32 2cht s ARG 7 N -0.25 2.61 0.09 2.79 1.81 -1.26 -0.46 118.95 124.28 2cht s ARG 7 Ca 0.02 -0.69 -0.15 0.00 -1.72 0.00 0.00 55.73 53.19 2cht s ARG 7 Cb -0.10 -2.54 0.03 0.00 -0.45 0.00 0.00 34.95 31.89 2cht s ARG 7 CO 0.01 0.61 0.35 0.20 -0.68 0.00 0.00 175.30 175.79 2cht s GLY 8 N -1.38 -0.19 -0.26 -3.53 0.00 -0.66 -1.72 107.32 99.58 2cht s GLY 8 Ca 0.17 -0.09 -0.20 0.00 0.00 0.00 0.00 44.72 44.60 2cht s GLY 8 CO 0.07 -0.33 0.68 0.00 0.00 0.00 0.00 173.10 173.52 2cht s ALA 9 N -3.44 -1.75 0.21 3.20 0.00 0.03 -0.63 121.76 119.38 2cht s ALA 9 Ca 0.01 2.12 -0.03 0.00 0.00 0.00 0.00 51.96 54.07 2cht s ALA 9 Cb 0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2cht s ALA 9 CO -0.09 -0.35 0.19 -0.08 0.00 0.00 0.00 175.76 175.43 2cht s THR 10 N 0.94 0.00 0.07 0.00 -1.32 0.25 -0.62 115.64 114.96 2cht s THR 10 Ca -0.05 -1.90 0.05 0.00 -1.21 0.00 0.00 61.69 58.58 2cht s THR 10 Cb -0.05 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.47 2cht s THR 10 CO -0.08 -0.01 -0.14 0.42 -2.21 0.00 0.00 174.62 172.60 2cht s THR 11 N -4.14 1.07 0.06 5.08 -4.23 -1.26 -0.45 115.64 111.78 2cht s THR 11 Ca 0.36 -1.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 2cht s THR 11 Cb 0.06 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 2cht s THR 11 CO 0.11 -0.26 -0.01 0.68 -0.54 0.00 0.00 174.62 174.60 2cht s VAL 12 N -1.37 3.97 0.23 2.29 -7.23 -0.23 -4.81 120.40 113.25 2cht s VAL 12 Ca -0.02 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.29 2cht s VAL 12 Cb -0.09 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 2cht s VAL 12 CO 0.02 0.21 1.57 -0.08 -0.31 0.00 0.00 175.10 176.51 2cht h GLU 13 N 3.77 0.31 -3.35 4.82 4.57 -1.91 -3.46 114.58 119.33 2cht h GLU 13 Ca -0.48 -0.20 -0.17 0.00 -1.18 0.00 0.00 59.36 57.33 2cht h GLU 13 Cb 1.17 0.02 -0.24 0.00 -0.16 0.00 0.00 28.75 29.54 2cht h GLU 13 CO 0.58 0.79 -0.49 0.50 -1.18 0.00 0.00 179.01 179.21 2cht s ARG 14 N -3.87 0.31 -0.94 1.92 3.52 -1.26 -5.05 118.95 113.59 2cht s ARG 14 Ca -0.05 0.03 -0.19 0.00 -0.13 0.00 0.00 55.73 55.40 2cht s ARG 14 Cb 0.12 0.14 -0.11 0.00 -1.56 0.00 0.00 34.95 33.54 2cht s ARG 14 CO 0.80 -0.06 2.02 -3.47 -0.81 0.00 0.00 175.30 173.79 2cht n ASP 15 N 2.44 3.09 -4.55 -2.12 2.03 -1.26 -4.58 116.55 111.60 2cht n ASP 15 Ca -0.16 -2.68 -0.31 0.00 0.52 0.00 0.00 54.79 52.16 2cht n ASP 15 Cb 0.58 -1.23 -0.11 0.00 -0.72 0.00 0.00 41.12 39.64 2cht n ASP 15 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2cht s THR 16 N 4.46 3.28 0.13 5.18 2.01 -1.26 -4.51 115.64 124.93 2cht s THR 16 Ca 0.54 -1.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.12 2cht s THR 16 Cb 0.14 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 2cht s THR 16 CO 0.06 0.23 1.60 -0.08 -0.69 0.00 0.00 174.62 175.74 2cht h GLU 17 N 4.04 -0.43 0.00 4.92 4.81 -1.90 -1.69 114.58 124.33 2cht h GLU 17 Ca -0.48 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2cht h GLU 17 Cb 1.16 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 2cht h GLU 17 CO 0.51 -0.29 -0.09 1.49 -0.73 0.00 0.00 179.01 179.91 2cht h GLU 18 N -0.45 0.00 0.17 1.92 4.57 -1.96 -1.25 114.58 117.58 2cht h GLU 18 Ca 0.08 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.94 2cht h GLU 18 Cb 0.59 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2cht h GLU 18 CO -0.37 0.09 -1.56 1.49 -1.18 0.00 0.00 179.01 177.48 2cht h GLU 19 N 0.00 0.36 0.21 1.92 4.57 -1.82 -1.77 114.58 118.05 2cht h GLU 19 Ca -0.00 -0.61 -0.01 0.00 -1.18 0.00 0.00 59.36 57.56 2cht h GLU 19 Cb 0.31 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2cht h GLU 19 CO 0.01 1.25 -0.10 0.82 -1.18 0.00 0.00 179.01 179.81 2cht h ILE 20 N 0.10 0.87 -0.38 2.32 2.04 -0.86 -1.52 117.51 120.08 2cht h ILE 20 Ca -0.26 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 2cht h ILE 20 Cb 2.07 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 2cht h ILE 20 CO 0.20 0.14 0.17 -0.07 0.00 0.00 0.00 178.15 178.58 2cht h LEU 21 N -0.61 0.51 0.21 1.44 3.38 -1.36 0.11 115.31 118.99 2cht h LEU 21 Ca -0.03 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2cht h LEU 21 Cb 0.44 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2cht h LEU 21 CO 0.05 0.51 -0.31 -0.61 0.09 0.00 0.00 178.44 178.17 2cht h GLN 22 N 0.47 -0.57 0.00 1.13 4.15 -1.32 0.14 115.11 119.11 2cht h GLN 22 Ca 0.13 0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 2cht h GLN 22 Cb 0.15 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2cht h GLN 22 CO -0.01 -0.38 -0.30 0.87 -1.93 0.00 0.00 178.83 177.08 2cht h LYS 23 N -0.59 0.00 -0.03 1.69 1.79 -1.21 -0.77 116.57 117.45 2cht h LYS 23 Ca 0.01 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.25 2cht h LYS 23 Cb 0.58 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 2cht h LYS 23 CO -0.13 0.30 -0.92 1.15 -1.08 0.00 0.00 179.45 178.77 2cht h THR 24 N 0.00 1.36 -0.33 -0.16 2.02 -0.67 -2.21 112.91 112.91 2cht h THR 24 Ca -0.00 -2.32 -0.13 0.00 0.77 0.00 0.00 66.41 64.73 2cht h THR 24 Cb 0.75 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 2cht h THR 24 CO 0.04 0.70 -0.34 0.50 0.37 0.00 0.00 175.52 176.79 2cht h LYS 25 N 0.30 0.74 -0.32 6.66 3.64 -0.25 -0.57 116.57 126.77 2cht h LYS 25 Ca -0.08 -0.35 -0.06 0.00 -1.27 0.00 0.00 60.65 58.89 2cht h LYS 25 Cb 1.55 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.34 2cht h LYS 25 CO 0.17 0.97 -0.07 1.96 -2.27 0.00 0.00 179.45 180.21 2cht h GLN 26 N 0.62 0.53 0.34 1.90 4.20 -1.16 0.62 115.11 122.16 2cht h GLN 26 Ca 0.06 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2cht h GLN 26 Cb 0.87 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2cht h GLN 26 CO 0.08 0.61 -0.16 1.25 -0.67 0.00 0.00 178.83 179.93 2cht h LEU 27 N 0.50 -0.39 -0.34 1.46 5.85 -0.87 -2.84 115.31 118.67 2cht h LEU 27 Ca 0.10 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2cht h LEU 27 Cb 0.43 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2cht h LEU 27 CO 0.02 -0.03 0.21 -0.07 -0.34 0.00 0.00 178.44 178.23 2cht h LEU 28 N -0.78 0.41 -1.37 2.25 3.38 -0.91 -1.85 115.31 116.43 2cht h LEU 28 Ca -0.05 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.07 2cht h LEU 28 Cb 0.51 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2cht h LEU 28 CO 0.08 0.33 0.60 -0.33 0.09 0.00 0.00 178.44 179.20 2cht h GLU 29 N 0.45 0.52 0.13 1.13 5.08 -0.95 -1.02 114.58 119.93 2cht h GLU 29 Ca 0.12 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.17 2cht h GLU 29 Cb -0.01 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.14 2cht h GLU 29 CO -0.02 0.34 -1.23 -0.22 -1.00 0.00 0.00 179.01 176.88 2cht h LYS 30 N 0.54 0.48 -0.48 2.33 1.63 -1.10 -2.04 116.57 117.92 2cht h LYS 30 Ca 0.48 -0.68 -0.08 0.00 -0.85 0.00 0.00 60.65 59.52 2cht h LYS 30 Cb 1.02 0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.86 2cht h LYS 30 CO -0.22 1.30 -0.02 0.82 -3.45 0.00 0.00 179.45 177.88 2cht h ILE 31 N 0.19 1.25 -0.29 2.00 2.04 -0.66 0.16 117.51 122.20 2cht h ILE 31 Ca -0.17 -1.05 -0.12 0.00 1.00 0.00 0.00 64.86 64.52 2cht h ILE 31 Cb 1.92 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2cht h ILE 31 CO 0.22 0.37 -0.32 0.40 0.00 0.00 0.00 178.15 178.83 2cht h ILE 32 N 0.75 1.28 0.02 -0.67 2.04 -1.27 -1.14 117.51 118.52 2cht h ILE 32 Ca 0.14 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 2cht h ILE 32 Cb 0.49 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2cht h ILE 32 CO 0.02 0.46 -0.01 -0.08 0.00 0.00 0.00 178.15 178.55 2cht h GLU 33 N 0.53 -0.02 0.00 2.37 4.81 -0.59 0.27 114.58 121.95 2cht h GLU 33 Ca 0.06 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2cht h GLU 33 Cb 0.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2cht h GLU 33 CO 0.07 0.47 -0.28 0.93 -0.73 0.00 0.00 179.01 179.47 2cht h GLU 34 N -0.52 0.00 -0.18 1.92 4.39 -0.70 -3.21 114.58 116.28 2cht h GLU 34 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2cht h GLU 34 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2cht h GLU 34 CO 0.00 0.28 0.00 0.09 -1.16 0.00 0.00 179.01 178.22 2cht n ASN 35 N -3.34 2.39 -2.72 1.42 3.02 -0.43 -4.77 115.26 110.82 2cht n ASN 35 Ca 0.01 -1.87 -0.20 0.00 -0.03 0.00 0.00 54.58 52.49 2cht n ASN 35 Cb 0.51 -0.12 0.01 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.17 -1.50 -2.46 3.10 8.25 0.04 -4.90 115.22 117.92 2cht n HIS 36 Ca 0.07 0.22 -0.41 0.00 -0.26 0.00 0.00 57.72 57.34 2cht n HIS 36 Cb 0.32 -3.69 -0.04 0.00 1.12 0.00 0.00 29.99 27.70 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 -2.96 3.65 -0.01 1.59 2.01 -0.93 -5.04 115.64 113.95 2cht s THR 37 Ca 0.14 1.49 0.05 0.00 0.31 0.00 0.00 61.69 63.68 2cht s THR 37 Cb -0.07 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2cht s THR 37 CO 0.18 0.29 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.71 2cht s LYS 38 N -0.73 2.36 0.25 4.92 -0.14 -1.26 -4.91 119.74 120.22 2cht s LYS 38 Ca 0.48 -0.80 -0.04 0.00 -1.36 0.00 0.00 55.97 54.26 2cht s LYS 38 Cb -0.31 -2.32 0.46 0.00 -1.68 0.00 0.00 37.83 33.98 2cht s LYS 38 CO 0.38 0.59 1.74 -1.00 -0.76 0.00 0.00 175.35 176.30 2cht h PRO 39 N 5.00 0.50 0.00 -1.68 0.13 -1.91 -0.20 132.00 133.83 2cht h PRO 39 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2cht h PRO 39 Cb 1.15 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2cht h PRO 39 CO 0.50 0.33 0.00 -0.85 -0.23 0.00 0.00 178.00 177.75 2cht n GLU 40 N -4.95 0.10 0.00 0.86 0.00 -1.26 -0.93 120.64 114.47 2cht n GLU 40 Ca 0.15 0.23 0.13 0.00 0.00 0.00 0.00 57.16 57.67 2cht n GLU 40 Cb 0.40 -1.50 0.34 0.00 0.00 0.00 0.00 31.44 30.68 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 -1.33 1.93 -4.53 -1.84 8.00 -0.09 -4.86 116.55 113.83 2cht n ASP 41 Ca 0.04 -1.57 -0.41 0.00 0.71 0.00 0.00 54.79 53.55 2cht n ASP 41 Cb 0.08 0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.10 5.16 0.07 2.53 1.01 -0.10 -0.99 120.40 125.97 2cht s VAL 42 Ca 0.32 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.93 2cht s VAL 42 Cb 0.20 -3.87 -0.17 0.00 0.00 0.00 0.00 36.38 32.54 2cht s VAL 42 CO 0.37 -0.17 1.61 0.58 0.00 0.00 0.00 175.10 177.49 2cht h VAL 43 N 5.58 0.62 -2.47 2.92 2.07 -1.06 -3.44 116.25 120.47 2cht h VAL 43 Ca -0.29 -0.09 0.16 0.00 0.82 0.00 0.00 66.70 67.29 2cht h VAL 43 Cb 1.14 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 2cht h VAL 43 CO 0.71 0.02 0.53 0.00 0.02 0.00 0.00 177.57 178.85 2cht s GLN 44 N -5.89 1.32 -0.04 1.57 -2.07 -1.24 -4.58 119.66 108.72 2cht s GLN 44 Ca -0.16 -0.81 -0.08 0.00 -1.82 0.00 0.00 55.36 52.50 2cht s GLN 44 Cb 0.04 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.37 2cht s GLN 44 CO 0.62 -0.61 0.20 1.41 -1.32 0.00 0.00 175.29 175.59 2cht s MET 45 N -2.61 0.39 -0.01 9.60 1.75 0.35 -1.21 119.30 127.55 2cht s MET 45 Ca 0.18 -0.03 0.03 0.00 -1.25 0.00 0.00 55.69 54.61 2cht s MET 45 Cb -0.02 0.17 -0.00 0.00 2.84 0.00 0.00 34.83 37.82 2cht s MET 45 CO 0.04 -0.08 -0.09 -0.51 -0.65 0.00 0.00 175.02 173.73 2cht s LEU 46 N -0.64 1.92 -0.04 4.11 1.43 -0.23 -1.92 118.68 123.32 2cht s LEU 46 Ca -0.07 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.92 2cht s LEU 46 Cb -0.04 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 2cht s LEU 46 CO 0.01 0.09 -0.23 -0.76 0.23 0.00 0.00 176.35 175.69 2cht s LEU 47 N -0.05 2.03 0.19 1.79 1.43 -0.09 -0.53 118.68 123.45 2cht s LEU 47 Ca 0.01 -0.44 0.11 0.00 -1.03 0.00 0.00 54.13 52.78 2cht s LEU 47 Cb -0.05 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2cht s LEU 47 CO -0.00 0.25 -0.23 -0.94 0.23 0.00 0.00 176.35 175.66 2cht s SER 48 N -0.33 3.49 0.08 2.29 1.04 -0.24 -0.56 113.70 119.47 2cht s SER 48 Ca 0.03 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.66 2cht s SER 48 Cb -0.11 -0.29 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 2cht s SER 48 CO 0.01 0.12 -0.11 0.00 0.98 0.00 0.00 173.24 174.25 2cht s ALA 49 N -1.63 1.01 0.83 5.32 0.00 -0.73 -1.04 121.76 125.51 2cht s ALA 49 Ca 0.21 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2cht s ALA 49 Cb -0.08 -0.00 0.09 0.00 0.00 0.00 0.00 23.12 23.13 2cht s ALA 49 CO 0.10 0.02 1.09 0.95 0.00 0.00 0.00 175.76 177.92 2cht s THR 50 N -1.88 2.98 -1.78 0.00 -4.23 -0.77 -1.15 115.64 108.82 2cht s THR 50 Ca -0.00 0.32 0.06 0.00 -1.18 0.00 0.00 61.69 60.88 2cht s THR 50 Cb -0.06 -2.89 0.14 0.00 1.34 0.00 0.00 72.50 71.02 2cht s THR 50 CO 0.01 -0.42 0.89 -0.81 -0.54 0.00 0.00 174.62 173.75 2cht n PRO 51 N -3.65 0.14 0.00 3.99 -0.04 -1.26 -2.52 135.00 131.66 2cht n PRO 51 Ca 0.07 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 2cht n PRO 51 Cb 0.55 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.11 0.94 -4.39 3.54 5.68 -1.26 -4.83 116.55 115.12 2cht n ASP 52 Ca 0.04 -0.74 -0.40 0.00 -0.50 0.00 0.00 54.79 53.19 2cht n ASP 52 Cb 0.03 0.30 -0.11 0.00 -1.14 0.00 0.00 41.12 40.20 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 -2.73 4.44 -0.00 -2.12 1.43 -1.05 -4.90 118.68 113.76 2cht s LEU 53 Ca 0.17 -0.82 0.06 0.00 -1.03 0.00 0.00 54.13 52.51 2cht s LEU 53 Cb 0.18 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 2cht s LEU 53 CO 0.63 -0.31 0.21 1.41 0.23 0.00 0.00 176.35 178.52 2cht n HIS 54 N 4.98 0.00 0.02 0.29 8.25 -1.26 -4.84 115.22 122.66 2cht n HIS 54 Ca -0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.24 2cht n HIS 54 Cb 0.47 -0.05 0.05 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 0.75 0.68 -2.86 -1.41 0.00 -1.91 -3.46 119.26 111.05 2cht h ALA 55 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 2cht h ALA 55 Cb 0.19 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.78 2cht h ALA 55 CO 0.00 0.71 0.16 0.54 0.00 0.00 0.00 179.25 180.66 2cht s VAL 56 N -3.88 0.01 -0.16 0.00 0.11 -1.26 -4.79 120.40 110.43 2cht s VAL 56 Ca -0.07 -0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 2cht s VAL 56 Cb 0.11 -1.02 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2cht s VAL 56 CO 0.84 -0.05 1.03 -0.36 -3.33 0.00 0.00 175.10 173.23 2cht s PHE 57 N -3.48 3.41 0.57 1.54 0.08 -1.26 -4.93 117.98 113.91 2cht s PHE 57 Ca -0.00 1.52 0.29 0.00 0.12 0.00 0.00 56.93 58.86 2cht s PHE 57 Cb -0.01 -3.24 1.46 0.00 -0.57 0.00 0.00 43.02 40.66 2cht s PHE 57 CO -0.10 -0.40 1.87 -1.35 -0.10 0.00 0.00 175.22 175.14 2cht h PRO 58 N 7.29 0.00 -0.15 0.24 0.11 -1.96 -0.72 132.00 136.81 2cht h PRO 58 Ca -0.26 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.90 2cht h PRO 58 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2cht h PRO 58 CO 0.91 0.00 0.18 0.00 -0.21 0.00 0.00 178.00 178.88 2cht h ALA 59 N 1.46 1.72 0.00 -0.75 0.00 -1.96 -0.70 119.26 119.03 2cht h ALA 59 Ca 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2cht h ALA 59 Cb 1.40 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2cht h ALA 59 CO -0.00 -0.26 -0.01 -0.22 0.00 0.00 0.00 179.25 178.76 2cht h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.53 -0.63 116.57 118.04 2cht h LYS 60 Ca 0.07 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2cht h LYS 60 Cb 0.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2cht h LYS 60 CO -0.00 0.01 -0.19 0.00 -2.27 0.00 0.00 179.45 177.00 2cht h ALA 61 N 1.99 1.63 -0.07 5.00 0.00 -1.34 -3.15 119.26 123.32 2cht h ALA 61 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2cht h ALA 61 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cht h ALA 61 CO 0.00 0.23 0.05 0.28 0.00 0.00 0.00 179.25 179.82 2cht h VAL 62 N 0.00 0.93 0.00 0.00 2.07 -1.30 -1.70 116.25 116.24 2cht h VAL 62 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2cht h VAL 62 Cb 0.34 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2cht h VAL 62 CO 0.02 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.15 2cht n ARG 63 N -4.47 0.52 -0.39 1.57 1.74 -1.19 -2.29 116.66 112.15 2cht n ARG 63 Ca -0.01 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.14 2cht n ARG 63 Cb 0.16 -1.47 0.24 0.00 -1.02 0.00 0.00 32.46 30.38 2cht n ARG 63 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2cht n GLU 64 N -0.97 3.09 -4.84 5.56 1.02 -0.64 -4.87 120.64 118.99 2cht n GLU 64 Ca 0.12 -2.60 -0.33 0.00 -0.02 0.00 0.00 57.16 54.33 2cht n GLU 64 Cb 0.05 -1.68 -0.16 0.00 -0.02 0.00 0.00 31.44 29.63 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 -2.12 2.31 0.40 -4.62 1.43 -0.97 -5.11 118.68 110.01 2cht s LEU 65 Ca 0.37 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.73 2cht s LEU 65 Cb 0.27 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.91 2cht s LEU 65 CO 0.13 0.12 1.06 -0.44 0.23 0.00 0.00 176.35 177.46 2cht s SER 66 N 0.57 6.71 0.00 2.29 0.01 -1.26 -3.53 113.70 118.49 2cht s SER 66 Ca -0.11 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.21 2cht s SER 66 Cb -0.16 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2cht s SER 66 CO 0.04 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2cht n GLY 67 N 0.36 1.14 1.25 3.44 0.00 -1.26 -4.91 105.19 105.20 2cht n GLY 67 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 0.87 0.16 1.61 7.02 -1.23 -4.44 117.44 119.43 2cht n TRP 68 Ca 0.00 -0.43 0.17 0.00 -1.02 0.00 0.00 57.50 56.22 2cht n TRP 68 Cb 0.00 0.00 0.77 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 4.06 0.00 -0.23 -0.99 5.75 -1.87 -1.39 115.11 120.44 2cht h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2cht h GLN 69 Cb 0.93 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.48 2cht h GLN 69 CO 0.00 0.00 0.00 0.66 -2.65 0.00 0.00 178.83 176.84 2cht n TYR 70 N -4.00 0.58 -2.24 3.99 4.02 -1.26 -4.96 117.16 113.29 2cht n TYR 70 Ca 0.03 -0.73 -0.41 0.00 -0.01 0.00 0.00 57.90 56.78 2cht n TYR 70 Cb 0.38 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 2cht n TYR 70 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2cht s VAL 71 N -2.07 3.22 -0.22 -0.72 1.01 -0.53 -4.99 120.40 116.10 2cht s VAL 71 Ca 0.31 1.03 -0.23 0.00 0.00 0.00 0.00 61.98 63.09 2cht s VAL 71 Cb 0.23 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2cht s VAL 71 CO 0.09 0.17 0.75 -2.84 0.00 0.00 0.00 175.10 173.28 2cht s PRO 72 N -0.35 4.20 0.01 2.72 0.02 -1.26 -4.99 135.00 135.35 2cht s PRO 72 Ca 0.55 0.82 -0.01 0.00 0.02 0.00 0.00 61.00 62.38 2cht s PRO 72 Cb -0.36 -3.62 -0.01 0.00 0.02 0.00 0.00 34.50 30.53 2cht s PRO 72 CO 0.39 -0.41 -0.01 0.54 -0.33 0.00 0.00 177.00 177.19 2cht s VAL 73 N 2.46 0.09 -0.03 3.83 0.11 -1.26 -0.50 120.40 125.11 2cht s VAL 73 Ca 0.33 -0.77 -0.06 0.00 -2.93 0.00 0.00 61.98 58.55 2cht s VAL 73 Cb -0.16 -0.25 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 2cht s VAL 73 CO 0.09 -0.42 0.15 0.28 -3.33 0.00 0.00 175.10 171.87 2cht s THR 74 N -1.26 0.04 0.56 5.04 -1.32 -0.81 -4.96 115.64 112.92 2cht s THR 74 Ca -0.14 -0.30 -0.03 0.00 -1.21 0.00 0.00 61.69 60.01 2cht s THR 74 Cb -0.08 -0.31 0.02 0.00 -1.51 0.00 0.00 72.50 70.61 2cht s THR 74 CO -0.01 -0.16 0.83 0.00 -2.21 0.00 0.00 174.62 173.07 2cht s MET 76 N -4.86 1.65 -0.19 0.00 0.23 0.27 -4.86 119.30 111.55 2cht s MET 76 Ca 0.54 -0.85 -0.14 0.00 -1.03 0.00 0.00 55.69 54.21 2cht s MET 76 Cb -0.10 0.60 -0.05 0.00 -1.53 0.00 0.00 34.83 33.76 2cht s MET 76 CO 0.42 -0.75 0.29 -1.14 -2.03 0.00 0.00 175.02 171.81 2cht s GLN 77 N -3.88 4.20 0.72 3.16 0.74 -1.26 -1.78 119.66 121.57 2cht s GLN 77 Ca 0.08 0.05 -0.12 0.00 0.05 0.00 0.00 55.36 55.42 2cht s GLN 77 Cb -0.05 -3.48 0.03 0.00 1.10 0.00 0.00 33.01 30.62 2cht s GLN 77 CO 0.02 0.13 1.08 -2.00 -0.55 0.00 0.00 175.29 173.98 2cht s GLU 78 N 0.80 2.60 0.17 1.67 2.56 -0.30 -4.88 118.70 121.31 2cht s GLU 78 Ca 0.15 1.16 -0.23 0.00 0.00 0.00 0.00 54.97 56.05 2cht s GLU 78 Cb -0.13 -1.94 -0.08 0.00 2.00 0.00 0.00 34.13 33.98 2cht s GLU 78 CO 0.05 -1.38 0.73 0.00 -0.56 0.00 0.00 175.26 174.10 2cht s MET 79 N -4.73 4.41 -0.95 4.30 0.23 -1.26 -4.53 119.30 116.76 2cht s MET 79 Ca 0.62 1.00 -0.24 0.00 -1.03 0.00 0.00 55.69 56.04 2cht s MET 79 Cb -0.17 -3.14 -0.02 0.00 -1.53 0.00 0.00 34.83 29.97 2cht s MET 79 CO 0.52 0.53 1.80 0.34 -2.03 0.00 0.00 175.02 176.18 2cht s ASP 80 N -1.29 5.55 -0.03 -1.18 -1.08 -1.26 -4.96 116.67 112.43 2cht s ASP 80 Ca 0.37 -0.96 -0.16 0.00 -0.52 0.00 0.00 52.55 51.28 2cht s ASP 80 Cb -0.21 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.64 2cht s ASP 80 CO 0.23 -2.38 0.42 -0.69 0.52 0.00 0.00 175.17 173.28 2cht s VAL 81 N 8.56 5.05 0.01 1.11 1.01 -1.26 -5.03 120.40 129.86 2cht s VAL 81 Ca 0.63 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 2cht s VAL 81 Cb -0.04 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2cht s VAL 81 CO -0.03 0.52 1.44 -0.89 0.00 0.00 0.00 175.10 176.14 2cht s THR 82 N -0.69 3.60 0.00 3.92 2.01 -1.26 -1.38 115.64 121.84 2cht s THR 82 Ca 0.24 1.00 0.00 0.00 0.31 0.00 0.00 61.69 63.24 2cht s THR 82 Cb -0.16 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.70 2cht s THR 82 CO 0.13 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2cht n GLY 83 N 3.69 3.29 3.70 4.40 0.00 -1.26 -5.01 105.19 114.00 2cht n GLY 83 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.35 1.38 -0.14 -0.02 0.00 -0.48 -4.80 107.32 100.91 2cht s GLY 84 Ca 0.00 1.42 -0.23 0.00 0.00 0.00 0.00 44.72 45.92 2cht s GLY 84 CO 0.00 2.97 0.70 -0.10 0.00 0.00 0.00 173.10 176.67 2cht n LEU 85 N 5.06 0.33 -4.85 0.66 7.94 -1.26 -4.87 117.00 120.01 2cht n LEU 85 Ca 0.16 0.61 -0.32 0.00 -1.11 0.00 0.00 56.01 55.35 2cht n LEU 85 Cb 0.38 -0.46 -0.02 0.00 0.53 0.00 0.00 43.42 43.84 2cht n LEU 85 CO 0.64 -0.69 0.69 -0.54 -1.11 0.00 0.00 177.39 176.38 2cht s LYS 86 N 0.83 3.86 -1.33 1.96 -0.14 -1.26 -4.35 119.74 119.31 2cht s LYS 86 Ca 0.51 0.91 -0.03 0.00 -1.36 0.00 0.00 55.97 56.01 2cht s LYS 86 Cb -0.72 -2.12 0.01 0.00 -1.68 0.00 0.00 37.83 33.32 2cht s LYS 86 CO 0.36 -0.34 0.80 1.63 -0.76 0.00 0.00 175.35 177.05 2cht n LYS 87 N -1.84 -5.38 -4.66 1.68 5.02 -1.26 -4.83 118.16 106.89 2cht n LYS 87 Ca 0.06 0.66 -0.33 0.00 -2.02 0.00 0.00 58.31 56.68 2cht n LYS 87 Cb 0.54 -5.35 -0.16 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 0.72 3.88 0.10 0.00 1.01 0.41 -1.84 121.20 125.48 2cht s ILE 89 Ca -0.08 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.31 2cht s ILE 89 Cb -0.16 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 2cht s ILE 89 CO 0.01 0.46 -0.21 -0.13 0.00 0.00 0.00 174.94 175.06 2cht s ARG 90 N 0.75 1.16 0.11 2.79 0.52 -0.21 -0.58 118.95 123.48 2cht s ARG 90 Ca -0.01 -1.16 0.08 0.00 -0.52 0.00 0.00 55.73 54.12 2cht s ARG 90 Cb -0.14 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.86 2cht s ARG 90 CO 0.02 0.34 -0.19 0.54 0.02 0.00 0.00 175.30 176.03 2cht s VAL 91 N -1.13 1.61 -0.31 3.52 0.11 0.19 -1.08 120.40 123.31 2cht s VAL 91 Ca 0.07 -1.58 -0.01 0.00 -2.93 0.00 0.00 61.98 57.52 2cht s VAL 91 Cb -0.10 -1.53 0.10 0.00 -1.53 0.00 0.00 36.38 33.33 2cht s VAL 91 CO 0.04 -0.16 0.12 -0.32 -3.33 0.00 0.00 175.10 171.45 2cht s MET 92 N -2.09 0.61 -0.20 1.54 0.00 0.31 -1.65 119.30 117.82 2cht s MET 92 Ca 0.07 -1.00 -0.08 0.00 0.00 0.00 0.00 55.69 54.68 2cht s MET 92 Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 34.83 32.92 2cht s MET 92 CO 0.04 -1.01 0.07 1.41 0.00 0.00 0.00 175.02 175.53 2cht s MET 93 N 1.65 3.91 -0.30 4.11 1.75 0.39 -1.07 119.30 129.74 2cht s MET 93 Ca 0.10 -0.37 -0.11 0.00 -1.25 0.00 0.00 55.69 54.06 2cht s MET 93 Cb -0.17 -3.26 -0.03 0.00 2.84 0.00 0.00 34.83 34.21 2cht s MET 93 CO -0.26 0.16 0.19 0.99 -0.65 0.00 0.00 175.02 175.45 2cht s THR 94 N 0.69 5.09 0.09 10.11 2.01 -0.35 -0.35 115.64 132.93 2cht s THR 94 Ca 0.04 -0.09 0.10 0.00 0.31 0.00 0.00 61.69 62.05 2cht s THR 94 Cb -0.13 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2cht s THR 94 CO 0.02 0.14 -0.26 0.68 -0.69 0.00 0.00 174.62 174.51 2cht s VAL 95 N 1.71 2.17 -0.33 3.82 -7.23 0.66 -0.44 120.40 120.77 2cht s VAL 95 Ca 0.06 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 2cht s VAL 95 Cb -0.17 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 34.89 2cht s VAL 95 CO 0.09 0.19 1.15 -1.58 -0.31 0.00 0.00 175.10 174.64 2cht s GLN 96 N -1.72 3.98 0.09 4.82 0.74 -0.16 -0.29 119.66 127.12 2cht s GLN 96 Ca 0.13 1.06 -0.13 0.00 0.05 0.00 0.00 55.36 56.46 2cht s GLN 96 Cb -0.10 -3.80 0.02 0.00 1.10 0.00 0.00 33.01 30.23 2cht s GLN 96 CO 0.04 -1.03 0.30 -0.08 -0.55 0.00 0.00 175.29 173.97 2cht s THR 97 N 3.97 0.10 -0.76 -0.34 -1.32 -0.18 -4.94 115.64 112.17 2cht s THR 97 Ca 0.49 -0.82 0.11 0.00 -1.21 0.00 0.00 61.69 60.27 2cht s THR 97 Cb -0.13 -1.17 0.33 0.00 -1.51 0.00 0.00 72.50 70.03 2cht s THR 97 CO 0.20 -0.45 1.27 0.47 -2.21 0.00 0.00 174.62 173.90 2cht n ASP 98 N 0.04 3.06 -4.72 8.08 8.00 -1.26 -1.27 116.55 128.49 2cht n ASP 98 Ca -0.16 -2.18 -0.42 0.00 0.71 0.00 0.00 54.79 52.74 2cht n ASP 98 Cb 0.62 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.33 4.47 0.02 2.53 1.01 -1.26 -4.98 120.40 120.86 2cht s VAL 99 Ca 0.26 1.86 -0.39 0.00 0.00 0.00 0.00 61.98 63.71 2cht s VAL 99 Cb 0.16 -4.19 -0.20 0.00 0.00 0.00 0.00 36.38 32.15 2cht s VAL 99 CO 0.14 0.19 1.01 -0.81 0.00 0.00 0.00 175.10 175.63 2cht n PRO 100 N 3.51 0.00 -0.28 2.72 -0.04 -1.26 -4.85 135.00 134.80 2cht n PRO 100 Ca 0.06 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 2cht n PRO 100 Cb 0.49 -1.45 0.23 0.00 -0.04 0.00 0.00 33.50 32.73 2cht n PRO 100 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2cht h GLN 101 N 2.79 0.16 0.00 0.54 4.15 -1.98 0.39 115.11 121.15 2cht h GLN 101 Ca -0.49 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2cht h GLN 101 Cb 1.43 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.08 2cht h GLN 101 CO 0.64 0.10 0.00 -0.40 -1.93 0.00 0.00 178.83 177.24 2cht n ASP 102 N -5.28 0.00 -0.82 -0.69 5.68 -1.26 -3.20 116.55 110.98 2cht n ASP 102 Ca 0.18 0.39 0.10 0.00 -0.50 0.00 0.00 54.79 54.96 2cht n ASP 102 Cb 0.59 -0.46 0.08 0.00 -1.14 0.00 0.00 41.12 40.19 2cht n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cht n GLN 103 N -1.46 1.86 -2.19 0.11 6.02 0.14 -4.96 117.38 116.89 2cht n GLN 103 Ca 0.07 -1.72 -0.39 0.00 -0.01 0.00 0.00 57.00 54.96 2cht n GLN 103 Cb 0.27 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.73 2.93 -0.37 5.09 -1.09 -1.07 -4.94 121.20 120.02 2cht s ILE 104 Ca 0.24 0.81 -0.07 0.00 -2.23 0.00 0.00 60.65 59.40 2cht s ILE 104 Cb 0.17 -3.47 0.06 0.00 -1.58 0.00 0.00 42.46 37.64 2cht s ILE 104 CO 0.26 0.10 0.16 -0.13 -1.23 0.00 0.00 174.94 174.10 2cht s ARG 105 N -2.23 2.56 0.02 2.79 0.52 -1.26 -5.05 118.95 116.29 2cht s ARG 105 Ca 0.56 -1.32 -0.20 0.00 -0.52 0.00 0.00 55.73 54.25 2cht s ARG 105 Cb -0.34 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.51 2cht s ARG 105 CO 0.43 -0.79 0.57 -1.01 0.02 0.00 0.00 175.30 174.52 2cht s HIS 106 N 1.38 3.72 -0.24 -0.53 3.76 -1.26 -4.81 115.29 117.32 2cht s HIS 106 Ca 0.01 1.20 -0.05 0.00 -0.15 0.00 0.00 55.06 56.06 2cht s HIS 106 Cb -0.21 -2.55 -0.01 0.00 1.11 0.00 0.00 32.58 30.92 2cht s HIS 106 CO 0.02 0.45 0.01 0.08 -0.85 0.00 0.00 174.74 174.45 2cht s VAL 107 N -0.54 3.77 -0.24 -0.90 1.01 -0.70 -4.99 120.40 117.82 2cht s VAL 107 Ca 0.30 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2cht s VAL 107 Cb -0.18 -2.76 0.05 0.00 0.00 0.00 0.00 36.38 33.49 2cht s VAL 107 CO 0.17 0.36 -0.12 -0.31 0.00 0.00 0.00 175.10 175.20 2cht s TYR 108 N 1.53 2.98 0.53 5.22 1.51 -1.26 -0.79 117.35 127.07 2cht s TYR 108 Ca 0.06 -2.06 0.02 0.00 -1.01 0.00 0.00 57.07 54.07 2cht s TYR 108 Cb -0.15 -1.85 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 2cht s TYR 108 CO -0.00 -0.84 0.10 -0.51 -1.11 0.00 0.00 175.55 173.19 2cht s LEU 109 N 1.20 2.33 0.00 -1.29 1.43 0.21 -4.35 118.68 118.21 2cht s LEU 109 Ca -0.05 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.46 2cht s LEU 109 Cb -0.18 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.22 2cht s LEU 109 CO -0.07 -0.96 0.00 -0.62 0.23 0.00 0.00 176.35 174.93 2cht n GLU 110 N -1.42 0.00 0.17 1.70 -0.58 -1.26 -0.72 120.64 118.53 2cht n GLU 110 Ca -0.16 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.71 2cht n GLU 110 Cb 0.66 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.91 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 1.57 -1.93 -3.26 116.57 116.44 2cht h LYS 111 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cht h LYS 111 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2cht h LYS 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2cht h ALA 112 N 2.24 1.00 0.00 3.86 0.00 -1.21 -3.14 119.26 122.01 2cht h ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cht h ALA 112 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2cht h ALA 112 CO 0.00 0.00 0.13 1.33 0.00 0.00 0.00 179.25 180.71 2cht n VAL 113 N -2.44 1.48 0.97 0.00 0.24 -1.13 -0.45 118.33 117.00 2cht n VAL 113 Ca -0.00 0.51 0.11 0.00 -2.04 0.00 0.00 64.34 62.91 2cht n VAL 113 Cb 0.14 -1.51 0.02 0.00 -1.47 0.00 0.00 33.84 31.03 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 -1.39 0.01 -0.23 3.34 3.14 -1.19 -4.33 118.33 117.68 2cht n VAL 114 Ca -0.00 -0.02 -0.06 0.00 -2.96 0.00 0.00 64.34 61.30 2cht n VAL 114 Cb 0.13 0.68 0.04 0.00 -1.06 0.00 0.00 33.84 33.63 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 0.78 -6.48 6.55 3.38 -1.02 -3.39 115.31 115.13 2cht h LEU 115 Ca 0.00 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2cht h LEU 115 Cb 0.52 -0.20 -0.29 0.00 0.09 0.00 0.00 40.66 40.78 2cht h LEU 115 CO 0.00 0.64 -0.46 -0.13 0.09 0.00 0.00 178.44 178.58 2cht s ARG 116 N -5.90 0.36 -0.79 1.13 0.52 -1.26 -5.03 118.95 107.99 2cht s ARG 116 Ca -0.13 0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 55.65 2cht s ARG 116 Cb 0.13 -0.35 0.19 0.00 0.52 0.00 0.00 34.95 35.45 2cht s ARG 116 CO 0.78 -0.61 2.37 -0.35 0.02 0.00 0.00 175.30 177.50 2cht n PRO 117 N 5.37 3.25 0.00 3.54 -0.04 -1.26 -4.97 135.00 140.89 2cht n PRO 117 Ca -0.04 -3.18 0.00 0.00 -0.04 0.00 0.00 63.50 60.25 2cht n PRO 117 Cb 0.50 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 2cht n PRO 117 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06