#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 2.99 0.07 1.12 -1.09 -1.26 -1.15 121.20 121.88 2cht s ILE 3 Ca 0.00 -0.73 0.04 0.00 -2.23 0.00 0.00 60.65 57.72 2cht s ILE 3 Cb 0.00 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 2cht s ILE 3 CO 0.00 0.57 -0.11 -0.13 -1.23 0.00 0.00 174.94 174.04 2cht s ARG 4 N -0.42 0.76 0.19 2.79 0.52 0.73 -4.92 118.95 118.59 2cht s ARG 4 Ca 0.05 -0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 54.16 2cht s ARG 4 Cb -0.12 -0.59 -0.07 0.00 0.52 0.00 0.00 34.95 34.69 2cht s ARG 4 CO 0.02 0.11 0.56 0.20 0.02 0.00 0.00 175.30 176.21 2cht s GLY 5 N -1.96 2.37 -0.06 -3.53 0.00 -1.26 -0.81 107.32 102.08 2cht s GLY 5 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.55 2cht s GLY 5 CO 0.01 0.03 -0.14 -0.42 0.00 0.00 0.00 173.10 172.58 2cht s ILE 6 N -1.65 1.27 0.08 0.90 1.01 0.18 -4.96 121.20 118.03 2cht s ILE 6 Ca 0.43 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2cht s ILE 6 Cb -0.13 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 2cht s ILE 6 CO 0.20 0.38 0.07 -0.13 0.00 0.00 0.00 174.94 175.46 2cht s ARG 7 N 0.44 2.86 0.14 2.79 1.81 -1.26 -0.22 118.95 125.50 2cht s ARG 7 Ca -0.11 -0.71 -0.16 0.00 -1.72 0.00 0.00 55.73 53.03 2cht s ARG 7 Cb -0.14 -2.71 0.03 0.00 -0.45 0.00 0.00 34.95 31.67 2cht s ARG 7 CO 0.04 0.56 0.42 0.20 -0.68 0.00 0.00 175.30 175.84 2cht s GLY 8 N -2.40 -0.19 -0.01 -3.53 0.00 -0.94 -1.25 107.32 99.00 2cht s GLY 8 Ca 0.29 -0.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.62 2cht s GLY 8 CO 0.22 -0.33 0.58 0.00 0.00 0.00 0.00 173.10 173.56 2cht s ALA 9 N -3.83 -1.50 0.14 3.20 0.00 0.28 -1.36 121.76 118.69 2cht s ALA 9 Ca 0.05 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 2cht s ALA 9 Cb 0.01 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.32 2cht s ALA 9 CO -0.09 -0.41 0.39 -0.08 0.00 0.00 0.00 175.76 175.57 2cht s THR 10 N -1.67 0.07 -0.05 0.00 -1.32 -0.07 -1.04 115.64 111.56 2cht s THR 10 Ca -0.09 -0.75 0.06 0.00 -1.21 0.00 0.00 61.69 59.70 2cht s THR 10 Cb -0.01 -1.33 -0.01 0.00 -1.51 0.00 0.00 72.50 69.64 2cht s THR 10 CO 0.05 -0.31 -0.24 0.42 -2.21 0.00 0.00 174.62 172.33 2cht s THR 11 N -3.84 1.97 0.26 5.08 -4.23 -1.26 -0.48 115.64 113.14 2cht s THR 11 Ca 0.06 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 2cht s THR 11 Cb 0.02 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 2cht s THR 11 CO -0.09 0.55 0.43 0.68 -0.54 0.00 0.00 174.62 175.65 2cht s VAL 12 N -0.22 5.19 -1.39 2.29 -7.23 -0.61 -4.71 120.40 113.72 2cht s VAL 12 Ca -0.01 -0.62 0.25 0.00 -1.81 0.00 0.00 61.98 59.80 2cht s VAL 12 Cb -0.13 -3.82 0.12 0.00 0.56 0.00 0.00 36.38 33.11 2cht s VAL 12 CO 0.03 -0.36 1.45 1.21 -0.31 0.00 0.00 175.10 177.12 2cht n GLU 13 N -1.30 0.44 -3.60 4.82 4.07 -1.26 -4.84 120.64 118.95 2cht n GLU 13 Ca -0.06 -0.27 -0.14 0.00 -0.06 0.00 0.00 57.16 56.63 2cht n GLU 13 Cb 0.56 -1.49 -0.07 0.00 -0.06 0.00 0.00 31.44 30.38 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 -2.75 0.81 -1.29 5.31 0.52 -1.26 -5.08 118.95 115.21 2cht s ARG 14 Ca 0.17 0.71 -0.17 0.00 -0.52 0.00 0.00 55.73 55.92 2cht s ARG 14 Cb 0.18 0.39 0.09 0.00 0.52 0.00 0.00 34.95 36.13 2cht s ARG 14 CO 0.62 -0.15 1.71 -3.47 0.02 0.00 0.00 175.30 174.03 2cht n ASP 15 N 2.09 4.96 -4.04 0.23 2.03 -1.26 -4.70 116.55 115.86 2cht n ASP 15 Ca -0.15 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.12 2cht n ASP 15 Cb 0.56 -1.72 -0.11 0.00 -0.72 0.00 0.00 41.12 39.13 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 3.76 0.42 0.18 5.18 -1.32 -1.26 -4.64 115.64 117.95 2cht s THR 16 Ca 0.52 -1.00 -0.20 0.00 -1.21 0.00 0.00 61.69 59.80 2cht s THR 16 Cb 0.03 -0.50 0.12 0.00 -1.51 0.00 0.00 72.50 70.63 2cht s THR 16 CO 0.06 -0.39 1.60 -0.08 -2.21 0.00 0.00 174.62 173.60 2cht h GLU 17 N 4.60 -0.16 -0.81 7.08 4.81 -1.91 -1.90 114.58 126.29 2cht h GLU 17 Ca -0.34 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 2cht h GLU 17 Cb 1.20 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 2cht h GLU 17 CO 0.41 -0.11 0.40 1.49 -0.73 0.00 0.00 179.01 180.47 2cht h GLU 18 N -0.17 1.16 -0.10 1.92 4.22 -1.97 0.10 114.58 119.74 2cht h GLU 18 Ca 0.22 -0.16 -0.15 0.00 0.08 0.00 0.00 59.36 59.34 2cht h GLU 18 Cb 0.52 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2cht h GLU 18 CO -0.60 0.89 -0.60 1.49 -2.18 0.00 0.00 179.01 178.00 2cht h GLU 19 N 1.14 0.33 -0.00 1.92 4.81 -1.81 0.64 114.58 121.62 2cht h GLU 19 Ca 0.28 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2cht h GLU 19 Cb 0.10 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2cht h GLU 19 CO -0.04 0.84 -0.03 0.82 -0.73 0.00 0.00 179.01 179.87 2cht h ILE 20 N 0.25 1.57 -0.45 2.32 2.04 -0.71 0.13 117.51 122.66 2cht h ILE 20 Ca -0.01 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.13 2cht h ILE 20 Cb 1.12 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.90 2cht h ILE 20 CO 0.10 0.45 0.25 -0.07 0.00 0.00 0.00 178.15 178.88 2cht h LEU 21 N -0.68 0.54 0.07 1.44 3.38 -0.83 -0.67 115.31 118.55 2cht h LEU 21 Ca -0.00 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 2cht h LEU 21 Cb 0.76 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.39 2cht h LEU 21 CO 0.01 0.43 -1.21 -0.61 0.09 0.00 0.00 178.44 177.15 2cht h GLN 22 N 0.62 0.43 -0.01 1.13 4.15 -0.89 -2.65 115.11 117.88 2cht h GLN 22 Ca 0.16 -0.62 -0.21 0.00 0.77 0.00 0.00 58.65 58.76 2cht h GLN 22 Cb 0.01 0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 2cht h GLN 22 CO -0.03 1.27 -0.87 0.87 -1.93 0.00 0.00 178.83 178.14 2cht h LYS 23 N 0.17 0.33 -0.00 1.69 1.79 -0.65 -2.33 116.57 117.57 2cht h LYS 23 Ca -0.15 -0.33 -0.15 0.00 -2.18 0.00 0.00 60.65 57.84 2cht h LYS 23 Cb 1.90 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 32.62 2cht h LYS 23 CO 0.21 1.02 -0.69 1.15 -1.08 0.00 0.00 179.45 180.06 2cht h THR 24 N 0.19 1.49 0.40 -0.16 2.02 -1.25 -1.69 112.91 113.92 2cht h THR 24 Ca -0.06 -2.35 -0.02 0.00 0.77 0.00 0.00 66.41 64.75 2cht h THR 24 Cb 1.49 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2cht h THR 24 CO 0.14 0.67 -0.19 0.50 0.37 0.00 0.00 175.52 177.02 2cht h LYS 25 N 0.01 -0.51 -0.95 6.66 3.64 -1.40 0.51 116.57 124.54 2cht h LYS 25 Ca -0.01 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.56 2cht h LYS 25 Cb 1.22 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 33.06 2cht h LYS 25 CO 0.09 -0.23 0.55 0.37 -2.27 0.00 0.00 179.45 177.97 2cht h GLN 26 N -0.76 0.75 -0.20 1.90 4.15 -1.46 0.18 115.11 119.67 2cht h GLN 26 Ca -0.05 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.22 2cht h GLN 26 Cb 0.52 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2cht h GLN 26 CO 0.09 0.50 -0.29 1.25 -1.93 0.00 0.00 178.83 178.45 2cht h LEU 27 N 0.77 0.59 -0.68 -2.39 5.85 -0.99 -2.23 115.31 116.24 2cht h LEU 27 Ca 0.52 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2cht h LEU 27 Cb 0.71 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2cht h LEU 27 CO -0.35 0.99 0.21 -0.07 -0.34 0.00 0.00 178.44 178.89 2cht h LEU 28 N 0.21 0.99 -0.35 2.25 3.38 0.00 -1.91 115.31 119.87 2cht h LEU 28 Ca 0.02 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2cht h LEU 28 Cb 0.86 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2cht h LEU 28 CO 0.07 0.93 0.13 -0.33 0.09 0.00 0.00 178.44 179.33 2cht h GLU 29 N 0.99 0.28 0.00 1.13 5.08 -0.66 0.13 114.58 121.53 2cht h GLU 29 Ca 0.22 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2cht h GLU 29 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2cht h GLU 29 CO -0.01 0.18 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.57 2cht h LYS 30 N 0.29 0.00 0.27 2.33 1.63 -1.12 0.04 116.57 120.00 2cht h LYS 30 Ca 0.16 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 2cht h LYS 30 Cb 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2cht h LYS 30 CO -0.15 0.40 -0.13 0.82 -3.45 0.00 0.00 179.45 176.94 2cht h ILE 31 N 0.00 0.77 -0.95 2.00 2.04 -0.41 0.08 117.51 121.04 2cht h ILE 31 Ca -0.00 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.68 2cht h ILE 31 Cb 0.73 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 2cht h ILE 31 CO 0.05 0.06 0.61 0.40 0.00 0.00 0.00 178.15 179.27 2cht h ILE 32 N -0.49 1.02 0.20 -0.67 2.04 -0.56 0.51 117.51 119.55 2cht h ILE 32 Ca -0.04 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2cht h ILE 32 Cb 0.37 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2cht h ILE 32 CO 0.06 0.19 -0.09 -0.08 0.00 0.00 0.00 178.15 178.22 2cht h GLU 33 N 1.03 -0.25 -0.22 2.37 4.81 -0.87 0.19 114.58 121.63 2cht h GLU 33 Ca 0.43 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2cht h GLU 33 Cb 0.30 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2cht h GLU 33 CO -0.18 0.14 0.13 0.93 -0.73 0.00 0.00 179.01 179.30 2cht h GLU 34 N -0.78 0.30 -0.01 1.92 4.39 -0.81 -3.18 114.58 116.41 2cht h GLU 34 Ca -0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2cht h GLU 34 Cb 0.51 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2cht h GLU 34 CO 0.04 0.24 -0.30 0.09 -1.16 0.00 0.00 179.01 177.93 2cht n ASN 35 N -4.90 0.99 -3.44 1.42 3.02 0.15 -4.93 115.26 107.57 2cht n ASN 35 Ca -0.03 -0.83 -0.17 0.00 -0.03 0.00 0.00 54.58 53.51 2cht n ASN 35 Cb 0.05 0.17 0.09 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.74 -2.23 -2.74 3.10 8.25 0.58 -4.94 115.22 116.50 2cht n HIS 36 Ca 0.11 0.94 -0.43 0.00 -0.26 0.00 0.00 57.72 58.09 2cht n HIS 36 Cb 0.35 -5.08 -0.03 0.00 1.12 0.00 0.00 29.99 26.35 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 -3.36 4.72 0.02 1.59 2.01 -0.68 -5.04 115.64 114.90 2cht s THR 37 Ca 0.03 1.82 -0.13 0.00 0.31 0.00 0.00 61.69 63.73 2cht s THR 37 Cb -0.02 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 2cht s THR 37 CO 0.73 -0.18 0.40 -0.54 -0.69 0.00 0.00 174.62 174.34 2cht s LYS 38 N 3.12 3.84 0.32 4.92 -0.14 -1.26 -4.91 119.74 125.63 2cht s LYS 38 Ca 0.41 0.31 0.02 0.00 -1.36 0.00 0.00 55.97 55.34 2cht s LYS 38 Cb -0.15 -3.14 0.57 0.00 -1.68 0.00 0.00 37.83 33.44 2cht s LYS 38 CO 0.08 0.65 1.93 -1.00 -0.76 0.00 0.00 175.35 176.25 2cht h PRO 39 N 4.35 0.94 0.00 -1.68 0.13 -1.94 -0.73 132.00 133.07 2cht h PRO 39 Ca -0.51 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2cht h PRO 39 Cb 1.21 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2cht h PRO 39 CO 0.63 0.62 0.00 -0.85 -0.23 0.00 0.00 178.00 178.17 2cht n GLU 40 N -4.47 0.07 -0.16 0.86 0.00 -1.26 -2.30 120.64 113.38 2cht n GLU 40 Ca 0.12 0.42 0.12 0.00 0.00 0.00 0.00 57.16 57.82 2cht n GLU 40 Cb 0.18 -1.67 0.25 0.00 0.00 0.00 0.00 31.44 30.19 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 -1.81 3.07 -4.74 -1.84 8.00 -0.28 -4.92 116.55 114.03 2cht n ASP 41 Ca 0.01 -1.94 -0.35 0.00 0.71 0.00 0.00 54.79 53.22 2cht n ASP 41 Cb 0.12 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 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 5.40 -0.10 2.53 1.01 -0.97 -1.29 120.40 125.41 2cht s VAL 42 Ca 0.37 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.33 2cht s VAL 42 Cb 0.22 -3.48 -0.28 0.00 0.00 0.00 0.00 36.38 32.83 2cht s VAL 42 CO 0.30 0.44 0.78 0.58 0.00 0.00 0.00 175.10 177.20 2cht h VAL 43 N 4.64 1.57 -2.13 2.92 2.07 -0.83 -3.47 116.25 121.02 2cht h VAL 43 Ca -0.42 -2.43 0.15 0.00 0.82 0.00 0.00 66.70 64.82 2cht h VAL 43 Cb 1.16 3.20 -0.15 0.00 -1.52 0.00 0.00 31.29 33.97 2cht h VAL 43 CO 0.75 0.65 0.56 0.00 0.02 0.00 0.00 177.57 179.54 2cht s GLN 44 N -2.34 0.76 -0.02 1.57 -2.07 -1.24 -4.59 119.66 111.72 2cht s GLN 44 Ca -0.17 -0.31 0.02 0.00 -1.82 0.00 0.00 55.36 53.08 2cht s GLN 44 Cb -0.00 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 2cht s GLN 44 CO 0.75 -0.34 -0.08 1.41 -1.32 0.00 0.00 175.29 175.71 2cht s MET 45 N -3.00 0.90 -0.09 9.60 1.75 -0.68 -1.23 119.30 126.54 2cht s MET 45 Ca 0.07 -0.28 0.04 0.00 -1.25 0.00 0.00 55.69 54.27 2cht s MET 45 Cb -0.01 -0.84 -0.00 0.00 2.84 0.00 0.00 34.83 36.82 2cht s MET 45 CO -0.07 0.10 -0.23 -0.51 -0.65 0.00 0.00 175.02 173.66 2cht s LEU 46 N 0.20 2.06 -0.09 4.11 1.43 -0.28 -2.50 118.68 123.60 2cht s LEU 46 Ca -0.03 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2cht s LEU 46 Cb -0.08 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 2cht s LEU 46 CO 0.00 0.17 -0.23 -0.76 0.23 0.00 0.00 176.35 175.76 2cht s LEU 47 N 0.27 2.13 0.18 1.79 1.43 -0.27 -0.76 118.68 123.47 2cht s LEU 47 Ca -0.16 -0.53 0.11 0.00 -1.03 0.00 0.00 54.13 52.52 2cht s LEU 47 Cb -0.17 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2cht s LEU 47 CO 0.08 0.18 -0.23 -0.94 0.23 0.00 0.00 176.35 175.67 2cht s SER 48 N 0.20 3.52 0.03 2.29 1.04 -0.21 -1.21 113.70 119.36 2cht s SER 48 Ca -0.14 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.51 2cht s SER 48 Cb -0.17 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.63 2cht s SER 48 CO 0.07 0.13 -0.12 0.00 0.98 0.00 0.00 173.24 174.30 2cht s ALA 49 N -1.61 0.97 0.52 5.32 0.00 -0.76 -1.15 121.76 125.05 2cht s ALA 49 Ca 0.21 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.26 2cht s ALA 49 Cb -0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.83 2cht s ALA 49 CO 0.10 0.18 1.19 0.95 0.00 0.00 0.00 175.76 178.17 2cht s THR 50 N -0.75 2.91 -2.00 0.00 -4.23 0.09 -0.99 115.64 110.66 2cht s THR 50 Ca 0.00 0.63 0.09 0.00 -1.18 0.00 0.00 61.69 61.24 2cht s THR 50 Cb -0.07 -3.29 0.27 0.00 1.34 0.00 0.00 72.50 70.75 2cht s THR 50 CO 0.01 -0.06 0.98 -0.81 -0.54 0.00 0.00 174.62 174.20 2cht n PRO 51 N -0.97 0.40 0.00 3.99 -0.04 -1.26 -1.67 135.00 135.46 2cht n PRO 51 Ca 0.10 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2cht n PRO 51 Cb 0.49 -1.37 0.26 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.87 1.29 -4.65 3.54 5.68 -1.26 -4.80 116.55 115.48 2cht n ASP 52 Ca 0.07 -1.05 -0.38 0.00 -0.50 0.00 0.00 54.79 52.93 2cht n ASP 52 Cb 0.03 0.25 -0.09 0.00 -1.14 0.00 0.00 41.12 40.18 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 4.11 0.00 -2.12 1.43 -0.67 -4.91 118.68 114.01 2cht s LEU 53 Ca 0.22 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2cht s LEU 53 Cb 0.19 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2cht s LEU 53 CO 0.55 -0.05 0.12 1.41 0.23 0.00 0.00 176.35 178.61 2cht n HIS 54 N 4.61 0.00 -0.05 0.29 8.25 -1.26 -4.93 115.22 122.13 2cht n HIS 54 Ca -0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.20 2cht n HIS 54 Cb 0.51 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.56 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 0.31 -2.80 -1.41 0.00 -1.91 -3.47 119.26 109.99 2cht h ALA 55 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2cht h ALA 55 Cb 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 2cht h ALA 55 CO 0.00 0.47 -0.04 0.54 0.00 0.00 0.00 179.25 180.22 2cht s VAL 56 N -3.97 0.06 -0.11 0.00 0.11 -1.26 -4.72 120.40 110.50 2cht s VAL 56 Ca -0.12 -0.58 -0.30 0.00 -2.93 0.00 0.00 61.98 58.05 2cht s VAL 56 Cb 0.07 -1.25 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 2cht s VAL 56 CO 0.84 -0.25 1.13 -0.36 -3.33 0.00 0.00 175.10 173.13 2cht s PHE 57 N -3.82 3.26 0.38 1.54 0.08 -1.26 -4.94 117.98 113.23 2cht s PHE 57 Ca 0.04 1.34 0.17 0.00 0.12 0.00 0.00 56.93 58.60 2cht s PHE 57 Cb 0.01 -3.34 1.07 0.00 -0.57 0.00 0.00 43.02 40.19 2cht s PHE 57 CO -0.10 -0.92 1.75 -1.35 -0.10 0.00 0.00 175.22 174.50 2cht h PRO 58 N 7.45 0.40 0.00 0.24 0.11 -1.94 -2.39 132.00 135.87 2cht h PRO 58 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2cht h PRO 58 Cb 1.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2cht h PRO 58 CO 0.90 0.27 0.53 0.00 -0.21 0.00 0.00 178.00 179.49 2cht h ALA 59 N 1.65 1.48 0.00 -0.75 0.00 -1.94 0.24 119.26 119.94 2cht h ALA 59 Ca 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 2cht h ALA 59 Cb 1.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2cht h ALA 59 CO -0.36 -0.48 -0.07 -0.22 0.00 0.00 0.00 179.25 178.12 2cht h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.84 -2.71 116.57 115.66 2cht h LYS 60 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2cht h LYS 60 Cb 1.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2cht h LYS 60 CO 0.00 0.07 -0.05 0.00 -2.27 0.00 0.00 179.45 177.20 2cht h ALA 61 N 1.93 1.12 -0.30 5.00 0.00 -1.17 -2.64 119.26 123.19 2cht h ALA 61 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2cht h ALA 61 Cb 0.84 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2cht h ALA 61 CO 0.01 0.07 -0.07 0.28 0.00 0.00 0.00 179.25 179.54 2cht h VAL 62 N 0.00 1.21 0.00 0.00 2.07 -1.66 -1.89 116.25 115.97 2cht h VAL 62 Ca -0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2cht h VAL 62 Cb 0.31 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2cht h VAL 62 CO 0.01 0.29 0.00 0.54 0.02 0.00 0.00 177.57 178.43 2cht n ARG 63 N -4.25 0.04 0.14 1.57 5.12 -0.99 -1.36 116.66 116.93 2cht n ARG 63 Ca 0.01 0.31 0.12 0.00 -1.93 0.00 0.00 57.85 56.36 2cht n ARG 63 Cb 0.28 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 30.19 2cht n ARG 63 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2cht h GLU 64 N 0.00 0.00 -5.58 5.56 4.39 -1.50 -3.46 114.58 113.98 2cht h GLU 64 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2cht h GLU 64 Cb 0.06 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.61 2cht h GLU 64 CO 0.00 0.00 -0.23 -0.51 -1.16 0.00 0.00 179.01 177.11 2cht s LEU 65 N -5.51 4.24 0.13 1.33 1.43 -0.46 -5.04 118.68 114.80 2cht s LEU 65 Ca 0.04 0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 2cht s LEU 65 Cb 0.08 -2.53 -0.07 0.00 0.03 0.00 0.00 46.19 43.70 2cht s LEU 65 CO 0.73 0.03 1.19 -0.44 0.23 0.00 0.00 176.35 178.08 2cht s SER 66 N 0.63 7.11 0.00 2.29 0.01 -1.26 -2.57 113.70 119.90 2cht s SER 66 Ca 0.21 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.60 2cht s SER 66 Cb -0.14 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2cht s SER 66 CO 0.07 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2cht n GLY 67 N 2.61 2.34 0.81 3.44 0.00 -1.26 -4.97 105.19 108.16 2cht n GLY 67 Ca 0.06 0.00 0.10 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 -1.65 0.44 0.27 1.61 7.02 -1.06 -4.38 117.44 119.68 2cht n TRP 68 Ca 0.00 -0.22 0.16 0.00 -1.02 0.00 0.00 57.50 56.42 2cht n TRP 68 Cb 0.00 0.00 0.89 0.00 -2.42 0.00 0.00 31.31 29.78 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 2.93 0.00 -0.16 -0.99 4.15 -1.87 -2.47 115.11 116.70 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 0.65 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.34 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 -3.82 0.18 -2.38 3.99 4.01 -1.26 -4.91 117.16 112.97 2cht n TYR 70 Ca -0.02 -0.11 -0.43 0.00 -0.16 0.00 0.00 57.90 57.19 2cht n TYR 70 Cb 0.16 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.59 4.20 -0.04 -0.72 1.01 -0.93 -4.97 120.40 117.36 2cht s VAL 71 Ca 0.28 1.44 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 2cht s VAL 71 Cb 0.19 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2cht s VAL 71 CO 0.27 -0.16 1.27 -2.16 0.00 0.00 0.00 175.10 174.31 2cht s PRO 72 N 3.63 4.33 0.14 2.72 0.04 -1.26 -4.94 135.00 139.66 2cht s PRO 72 Ca 0.57 1.77 0.09 0.00 0.04 0.00 0.00 61.00 63.47 2cht s PRO 72 Cb -0.22 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 2cht s PRO 72 CO 0.17 -0.49 -0.21 0.14 0.04 0.00 0.00 177.00 176.65 2cht s VAL 73 N 2.26 1.90 0.17 -0.36 -7.23 -1.26 -1.69 120.40 114.19 2cht s VAL 73 Ca 0.58 -1.79 -0.12 0.00 -1.81 0.00 0.00 61.98 58.85 2cht s VAL 73 Cb -0.27 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 34.88 2cht s VAL 73 CO 0.23 -0.16 0.36 0.28 -0.31 0.00 0.00 175.10 175.51 2cht s THR 74 N -1.58 0.06 0.41 5.32 -1.32 -1.04 -4.99 115.64 112.49 2cht s THR 74 Ca 0.13 -1.15 0.05 0.00 -1.21 0.00 0.00 61.69 59.51 2cht s THR 74 Cb -0.08 -1.70 -0.06 0.00 -1.51 0.00 0.00 72.50 69.15 2cht s THR 74 CO 0.06 -0.27 0.03 0.00 -2.21 0.00 0.00 174.62 172.24 2cht s MET 76 N -3.79 1.44 -0.02 0.00 0.23 -0.35 -4.90 119.30 111.91 2cht s MET 76 Ca 0.29 -0.65 -0.25 0.00 -1.03 0.00 0.00 55.69 54.04 2cht s MET 76 Cb 0.07 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 33.92 2cht s MET 76 CO 0.14 -0.64 0.77 -0.65 -2.03 0.00 0.00 175.02 172.61 2cht s GLN 77 N -3.77 4.47 0.66 3.16 -0.21 -1.26 -1.82 119.66 120.90 2cht s GLN 77 Ca 0.05 1.03 -0.12 0.00 0.02 0.00 0.00 55.36 56.33 2cht s GLN 77 Cb -0.03 -3.43 -0.01 0.00 1.00 0.00 0.00 33.01 30.55 2cht s GLN 77 CO -0.05 0.11 1.06 -2.00 -2.12 0.00 0.00 175.29 172.28 2cht s GLU 78 N 0.60 3.04 0.24 2.91 2.56 -0.16 -4.87 118.70 123.02 2cht s GLU 78 Ca 0.40 1.05 -0.28 0.00 0.00 0.00 0.00 54.97 56.14 2cht s GLU 78 Cb -0.19 -2.00 -0.09 0.00 2.00 0.00 0.00 34.13 33.85 2cht s GLU 78 CO 0.21 -1.03 0.91 0.00 -0.56 0.00 0.00 175.26 174.80 2cht s MET 79 N -4.70 4.75 -0.92 4.30 0.23 -1.26 -4.46 119.30 117.24 2cht s MET 79 Ca 0.60 1.40 -0.24 0.00 -1.03 0.00 0.00 55.69 56.42 2cht s MET 79 Cb -0.15 -3.18 0.01 0.00 -1.53 0.00 0.00 34.83 29.98 2cht s MET 79 CO 0.49 0.48 1.60 0.34 -2.03 0.00 0.00 175.02 175.90 2cht s ASP 80 N -1.27 5.97 -0.05 -1.18 2.15 -1.26 -4.97 116.67 116.06 2cht s ASP 80 Ca 0.42 -0.97 -0.04 0.00 0.43 0.00 0.00 52.55 52.39 2cht s ASP 80 Cb -0.24 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.78 2cht s ASP 80 CO 0.29 -1.97 0.14 -0.69 -0.17 0.00 0.00 175.17 172.77 2cht s VAL 81 N 6.85 5.28 0.10 1.11 1.01 -1.26 -5.06 120.40 128.43 2cht s VAL 81 Ca 0.53 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.13 2cht s VAL 81 Cb -0.04 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 2cht s VAL 81 CO -0.02 0.45 1.60 -0.89 0.00 0.00 0.00 175.10 176.24 2cht s THR 82 N -1.18 2.96 -0.88 3.92 2.01 -1.26 -1.60 115.64 119.61 2cht s THR 82 Ca 0.21 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.74 2cht s THR 82 Cb -0.12 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2cht s THR 82 CO 0.12 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2cht n GLY 83 N 3.88 0.89 3.88 4.40 0.00 -1.26 -5.01 105.19 111.97 2cht n GLY 83 Ca 0.15 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.87 1.68 0.06 -0.02 0.00 -0.63 -5.01 107.32 100.53 2cht s GLY 84 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 44.72 44.23 2cht s GLY 84 CO 0.00 0.05 1.43 -2.27 0.00 0.00 0.00 173.10 172.32 2cht s LEU 85 N -4.83 4.35 0.63 0.66 2.96 -1.26 -5.01 118.68 116.17 2cht s LEU 85 Ca 0.53 2.25 -0.04 0.00 -0.22 0.00 0.00 54.13 56.65 2cht s LEU 85 Cb -0.11 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.05 2cht s LEU 85 CO 0.47 -0.72 0.91 -0.54 -1.32 0.00 0.00 176.35 175.15 2cht s LYS 86 N 1.90 2.48 -1.71 1.98 -0.14 -1.26 -4.48 119.74 118.51 2cht s LYS 86 Ca 0.66 -0.37 -0.16 0.00 -1.36 0.00 0.00 55.97 54.74 2cht s LYS 86 Cb -0.35 -2.30 0.15 0.00 -1.68 0.00 0.00 37.83 33.65 2cht s LYS 86 CO 0.29 -0.94 0.58 1.63 -0.76 0.00 0.00 175.35 176.15 2cht n LYS 87 N -2.65 -2.05 -4.57 1.68 5.02 -1.26 -4.87 118.16 109.46 2cht n LYS 87 Ca 0.07 0.26 -0.33 0.00 -2.02 0.00 0.00 58.31 56.29 2cht n LYS 87 Cb 0.60 -4.70 -0.11 0.00 -0.02 0.00 0.00 35.03 30.79 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 -0.89 2.29 0.10 0.00 1.01 0.37 -0.73 121.20 123.35 2cht s ILE 89 Ca 0.14 -0.95 0.10 0.00 0.00 0.00 0.00 60.65 59.94 2cht s ILE 89 Cb -0.11 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2cht s ILE 89 CO 0.04 0.56 -0.25 -0.13 0.00 0.00 0.00 174.94 175.16 2cht s ARG 90 N 0.15 1.36 0.01 2.79 0.52 -0.30 -0.89 118.95 122.58 2cht s ARG 90 Ca -0.12 -1.23 0.06 0.00 -0.52 0.00 0.00 55.73 53.92 2cht s ARG 90 Cb -0.16 -1.72 -0.02 0.00 0.52 0.00 0.00 34.95 33.58 2cht s ARG 90 CO 0.06 0.41 -0.17 0.54 0.02 0.00 0.00 175.30 176.16 2cht s VAL 91 N -1.04 1.39 -0.34 3.52 0.11 -0.46 -1.05 120.40 122.52 2cht s VAL 91 Ca 0.11 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2cht s VAL 91 Cb -0.10 -1.19 0.11 0.00 -1.53 0.00 0.00 36.38 33.67 2cht s VAL 91 CO 0.05 0.26 0.13 -0.32 -3.33 0.00 0.00 175.10 171.89 2cht s MET 92 N -0.76 0.85 -0.21 1.54 0.00 0.06 -2.21 119.30 118.57 2cht s MET 92 Ca 0.06 -1.31 -0.13 0.00 0.00 0.00 0.00 55.69 54.31 2cht s MET 92 Cb -0.07 -2.06 -0.05 0.00 0.00 0.00 0.00 34.83 32.65 2cht s MET 92 CO 0.00 -1.04 0.25 1.41 0.00 0.00 0.00 175.02 175.65 2cht s MET 93 N 1.29 4.14 -0.15 4.11 1.75 0.69 -1.12 119.30 130.00 2cht s MET 93 Ca 0.12 -0.07 -0.01 0.00 -1.25 0.00 0.00 55.69 54.49 2cht s MET 93 Cb -0.19 -3.51 -0.01 0.00 2.84 0.00 0.00 34.83 33.95 2cht s MET 93 CO -0.18 0.07 -0.12 0.99 -0.65 0.00 0.00 175.02 175.13 2cht s THR 94 N 1.01 2.96 0.16 10.11 2.01 -0.36 0.47 115.64 131.99 2cht s THR 94 Ca 0.12 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.53 2cht s THR 94 Cb -0.14 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 2cht s THR 94 CO 0.05 0.51 -0.19 0.68 -0.69 0.00 0.00 174.62 174.98 2cht s VAL 95 N 0.69 1.81 -0.25 3.82 -7.23 0.01 -0.08 120.40 119.17 2cht s VAL 95 Ca -0.06 -1.86 -0.19 0.00 -1.81 0.00 0.00 61.98 58.06 2cht s VAL 95 Cb -0.15 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2cht s VAL 95 CO 0.02 -0.27 0.55 -1.58 -0.31 0.00 0.00 175.10 173.51 2cht s GLN 96 N -2.66 4.10 0.18 4.82 0.74 -0.41 -0.19 119.66 126.23 2cht s GLN 96 Ca 0.14 0.41 -0.20 0.00 0.05 0.00 0.00 55.36 55.76 2cht s GLN 96 Cb -0.06 -3.64 0.04 0.00 1.10 0.00 0.00 33.01 30.45 2cht s GLN 96 CO 0.06 -0.34 0.56 -0.08 -0.55 0.00 0.00 175.29 174.94 2cht s THR 97 N 2.27 0.02 -0.04 -0.34 -1.32 -0.30 -4.96 115.64 110.97 2cht s THR 97 Ca 0.23 -0.49 0.19 0.00 -1.21 0.00 0.00 61.69 60.42 2cht s THR 97 Cb -0.16 -1.35 -0.29 0.00 -1.51 0.00 0.00 72.50 69.19 2cht s THR 97 CO 0.09 -0.09 0.40 -0.67 -2.21 0.00 0.00 174.62 172.14 2cht n ASP 98 N -0.35 0.58 -4.77 8.08 2.03 -1.26 -1.57 116.55 119.29 2cht n ASP 98 Ca -0.13 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.77 2cht n ASP 98 Cb 0.63 1.82 -0.01 0.00 -0.72 0.00 0.00 41.12 42.83 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 -3.28 2.45 0.71 5.18 1.01 -1.26 -4.95 120.40 120.26 2cht s VAL 99 Ca -0.07 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 2cht s VAL 99 Cb 0.12 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2cht s VAL 99 CO 0.80 0.10 1.09 -2.65 0.00 0.00 0.00 175.10 174.43 2cht n PRO 100 N 0.99 0.62 -0.31 2.72 -0.02 -1.26 -4.86 135.00 132.88 2cht n PRO 100 Ca 0.02 0.27 0.02 0.00 -2.02 0.00 0.00 63.50 61.79 2cht n PRO 100 Cb 0.40 -2.33 0.16 0.00 -0.02 0.00 0.00 33.50 31.72 2cht n PRO 100 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2cht h GLN 101 N -0.13 0.89 0.00 -0.52 4.15 -1.99 0.01 115.11 117.53 2cht h GLN 101 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2cht h GLN 101 Cb 1.33 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2cht h GLN 101 CO 0.48 0.59 0.00 -0.40 -1.93 0.00 0.00 178.83 177.58 2cht n ASP 102 N -4.66 0.31 -0.65 -0.69 5.68 -1.26 -2.95 116.55 112.34 2cht n ASP 102 Ca 0.14 0.59 0.06 0.00 -0.50 0.00 0.00 54.79 55.08 2cht n ASP 102 Cb 0.23 -0.65 0.13 0.00 -1.14 0.00 0.00 41.12 39.69 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 -1.86 2.01 -2.23 0.11 6.02 -0.02 -4.96 117.38 116.44 2cht n GLN 103 Ca 0.02 -1.78 -0.40 0.00 -0.01 0.00 0.00 57.00 54.83 2cht n GLN 103 Cb 0.16 -1.28 -0.02 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.03 3.00 -0.35 5.09 -1.09 -1.15 -4.95 121.20 120.72 2cht s ILE 104 Ca 0.22 0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 59.48 2cht s ILE 104 Cb 0.13 -3.56 0.03 0.00 -1.58 0.00 0.00 42.46 37.48 2cht s ILE 104 CO 0.17 0.16 0.14 -0.13 -1.23 0.00 0.00 174.94 174.06 2cht s ARG 105 N -1.98 2.73 -0.15 2.79 0.52 -1.26 -5.07 118.95 116.53 2cht s ARG 105 Ca 0.52 -1.12 -0.14 0.00 -0.52 0.00 0.00 55.73 54.47 2cht s ARG 105 Cb -0.35 -3.56 -0.05 0.00 0.52 0.00 0.00 34.95 31.52 2cht s ARG 105 CO 0.45 -0.66 0.32 -1.01 0.02 0.00 0.00 175.30 174.42 2cht s HIS 106 N 1.47 3.47 -0.18 -0.53 3.76 -1.26 -4.79 115.29 117.23 2cht s HIS 106 Ca 0.00 0.64 -0.06 0.00 -0.15 0.00 0.00 55.06 55.49 2cht s HIS 106 Cb -0.19 -2.37 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 2cht s HIS 106 CO 0.04 0.24 0.03 0.08 -0.85 0.00 0.00 174.74 174.28 2cht s VAL 107 N 0.46 4.43 -0.14 -0.90 1.01 -0.38 -4.93 120.40 119.94 2cht s VAL 107 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 2cht s VAL 107 Cb -0.13 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.29 2cht s VAL 107 CO 0.05 0.45 -0.08 -0.31 0.00 0.00 0.00 175.10 175.21 2cht s TYR 108 N 0.54 1.70 0.40 5.22 2.02 -1.26 -0.56 117.35 125.40 2cht s TYR 108 Ca 0.01 -0.96 0.07 0.00 -0.37 0.00 0.00 57.07 55.82 2cht s TYR 108 Cb -0.13 -1.33 -0.08 0.00 -0.40 0.00 0.00 41.96 40.02 2cht s TYR 108 CO 0.02 -0.58 0.01 -0.51 -1.57 0.00 0.00 175.55 172.92 2cht s LEU 109 N 1.64 2.79 0.00 -1.29 1.43 -0.20 -4.53 118.68 118.51 2cht s LEU 109 Ca 0.03 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 2cht s LEU 109 Cb -0.14 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.24 2cht s LEU 109 CO -0.08 -0.45 0.00 -0.62 0.23 0.00 0.00 176.35 175.42 2cht n GLU 110 N -0.92 0.00 0.15 1.70 -0.58 -1.26 -1.54 120.64 118.19 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 0.67 0.00 0.45 0.00 -0.57 0.00 0.00 31.44 31.99 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 -1.95 -3.19 116.57 116.49 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 n ALA 112 N -1.86 1.42 0.30 3.86 0.00 -0.59 -1.26 120.51 122.38 2cht n ALA 112 Ca 0.03 -0.02 0.19 0.00 0.00 0.00 0.00 53.44 53.64 2cht n ALA 112 Cb 0.35 -1.07 0.91 0.00 0.00 0.00 0.00 19.45 19.65 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 0.14 0.00 0.00 -1.51 -1.64 -1.27 116.25 111.96 2cht h VAL 113 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2cht h VAL 113 Cb 0.03 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 2cht h VAL 113 CO 0.00 0.03 0.00 0.55 -1.23 0.00 0.00 177.57 176.92 2cht n VAL 114 N -3.22 0.54 -0.08 7.19 3.14 -0.39 -3.79 118.33 121.72 2cht n VAL 114 Ca -0.01 0.14 -0.12 0.00 -2.96 0.00 0.00 64.34 61.38 2cht n VAL 114 Cb 0.19 -0.88 -0.06 0.00 -1.06 0.00 0.00 33.84 32.03 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 0.00 -7.09 6.55 3.38 -1.47 -3.44 115.31 113.24 2cht h LEU 115 Ca 0.00 -0.31 -0.62 0.00 0.09 0.00 0.00 57.88 57.04 2cht h LEU 115 Cb 0.14 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.48 2cht h LEU 115 CO 0.00 1.03 -0.68 -0.13 0.09 0.00 0.00 178.44 178.75 2cht s ARG 116 N -2.20 1.81 -0.99 1.13 1.81 -1.25 -5.00 118.95 114.26 2cht s ARG 116 Ca -0.19 -2.59 -0.23 0.00 -1.72 0.00 0.00 55.73 51.00 2cht s ARG 116 Cb 0.03 -2.88 0.04 0.00 -0.45 0.00 0.00 34.95 31.68 2cht s ARG 116 CO 0.39 -1.20 1.50 -2.14 -0.68 0.00 0.00 175.30 173.17 2cht s PRO 117 N -0.38 3.45 0.00 3.54 0.02 -1.26 -5.00 135.00 135.38 2cht s PRO 117 Ca 0.21 -0.98 0.00 0.00 0.02 0.00 0.00 61.00 60.25 2cht s PRO 117 Cb -0.17 -5.27 0.00 0.00 0.02 0.00 0.00 34.50 29.08 2cht s PRO 117 CO -0.06 -2.34 0.00 -0.25 -0.33 0.00 0.00 177.00 174.02