#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2chs s ILE 3 N 0.00 2.00 0.03 1.12 -1.09 -1.26 -1.32 121.20 120.68 2chs s ILE 3 Ca 0.00 -1.04 0.02 0.00 -2.23 0.00 0.00 60.65 57.39 2chs s ILE 3 Cb 0.00 -1.69 -0.02 0.00 -1.58 0.00 0.00 42.46 39.17 2chs s ILE 3 CO 0.00 0.56 -0.06 -0.13 -1.23 0.00 0.00 174.94 174.08 2chs s ARG 4 N -0.17 0.44 0.22 2.79 0.52 0.43 -4.93 118.95 118.25 2chs s ARG 4 Ca -0.03 -0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 54.41 2chs s ARG 4 Cb -0.13 -0.21 -0.08 0.00 0.52 0.00 0.00 34.95 35.05 2chs s ARG 4 CO 0.03 0.04 0.68 0.20 0.02 0.00 0.00 175.30 176.27 2chs s GLY 5 N -1.25 2.52 -0.11 -3.53 0.00 -1.26 -0.97 107.32 102.72 2chs s GLY 5 Ca -0.09 0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.71 2chs s GLY 5 CO -0.00 0.36 -0.19 -0.42 0.00 0.00 0.00 173.10 172.85 2chs s ILE 6 N -1.59 1.77 0.04 0.90 1.01 0.96 -4.95 121.20 119.33 2chs s ILE 6 Ca 0.44 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2chs s ILE 6 Cb -0.15 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2chs s ILE 6 CO 0.20 0.49 0.22 -0.13 0.00 0.00 0.00 174.94 175.72 2chs s ARG 7 N 0.73 3.46 0.09 2.79 1.81 -1.26 -0.86 118.95 125.71 2chs s ARG 7 Ca -0.11 -0.35 -0.17 0.00 -1.72 0.00 0.00 55.73 53.37 2chs s ARG 7 Cb -0.16 -3.04 0.04 0.00 -0.45 0.00 0.00 34.95 31.33 2chs s ARG 7 CO 0.02 0.62 0.42 0.20 -0.68 0.00 0.00 175.30 175.88 2chs s GLY 8 N -2.28 -0.29 0.05 -3.53 0.00 -1.04 -1.49 107.32 98.74 2chs s GLY 8 Ca 0.33 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.98 2chs s GLY 8 CO 0.24 -0.12 0.50 0.00 0.00 0.00 0.00 173.10 173.72 2chs s ALA 9 N -3.20 -1.25 0.23 3.20 0.00 -0.43 -1.30 121.76 119.01 2chs s ALA 9 Ca -0.01 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 52.29 2chs s ALA 9 Cb 0.01 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.55 2chs s ALA 9 CO -0.08 -0.51 0.55 -0.08 0.00 0.00 0.00 175.76 175.64 2chs s THR 10 N -2.55 0.01 0.08 0.00 -1.32 -0.45 -1.11 115.64 110.30 2chs s THR 10 Ca -0.05 -1.01 0.06 0.00 -1.21 0.00 0.00 61.69 59.49 2chs s THR 10 Cb -0.01 -1.84 -0.03 0.00 -1.51 0.00 0.00 72.50 69.11 2chs s THR 10 CO -0.03 -0.06 -0.17 0.42 -2.21 0.00 0.00 174.62 172.57 2chs s THR 11 N -3.92 1.33 0.24 5.08 -4.23 -1.26 -0.62 115.64 112.26 2chs s THR 11 Ca 0.13 -1.37 0.10 0.00 -1.18 0.00 0.00 61.69 59.37 2chs s THR 11 Cb -0.02 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 2chs s THR 11 CO 0.03 -0.15 -0.11 0.68 -0.54 0.00 0.00 174.62 174.52 2chs s VAL 12 N -1.21 2.99 -0.11 2.29 -7.23 -0.37 -4.83 120.40 111.93 2chs s VAL 12 Ca 0.01 -1.98 0.16 0.00 -1.81 0.00 0.00 61.98 58.36 2chs s VAL 12 Cb -0.10 -2.54 -0.10 0.00 0.56 0.00 0.00 36.38 34.20 2chs s VAL 12 CO 0.03 -0.27 0.97 -0.33 -0.31 0.00 0.00 175.10 175.18 2chs h GLU 13 N 2.44 0.00 -3.84 4.82 4.39 -1.94 -3.45 114.58 116.99 2chs h GLU 13 Ca -0.44 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.09 2chs h GLU 13 Cb 1.23 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.67 2chs h GLU 13 CO 0.57 0.38 -0.65 1.03 -1.16 0.00 0.00 179.01 179.18 2chs s ARG 14 N -2.90 0.33 -0.72 2.33 0.52 -1.26 -5.09 118.95 112.17 2chs s ARG 14 Ca -0.01 -0.51 -0.24 0.00 -0.52 0.00 0.00 55.73 54.44 2chs s ARG 14 Cb 0.08 0.12 0.06 0.00 0.52 0.00 0.00 34.95 35.74 2chs s ARG 14 CO 0.80 -0.06 1.11 0.34 0.02 0.00 0.00 175.30 177.51 2chs s ASP 15 N -1.33 6.20 -0.11 0.23 2.15 -1.26 -4.73 116.67 117.82 2chs s ASP 15 Ca -0.14 -0.86 -0.15 0.00 0.43 0.00 0.00 52.55 51.83 2chs s ASP 15 Cb -0.09 -2.48 0.04 0.00 -0.30 0.00 0.00 42.92 40.09 2chs s ASP 15 CO -0.00 -1.58 0.39 0.28 -0.17 0.00 0.00 175.17 174.09 2chs s THR 16 N 4.66 0.01 0.17 1.71 -1.32 -1.26 -4.77 115.64 114.84 2chs s THR 16 Ca 0.28 -0.12 -0.16 0.00 -1.21 0.00 0.00 61.69 60.48 2chs s THR 16 Cb -0.12 -0.59 0.07 0.00 -1.51 0.00 0.00 72.50 70.34 2chs s THR 16 CO 0.10 -0.07 1.70 -0.08 -2.21 0.00 0.00 174.62 174.07 2chs h GLU 17 N 4.98 0.13 -0.57 7.08 4.81 -1.92 -2.25 114.58 126.84 2chs h GLU 17 Ca -0.28 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2chs h GLU 17 Cb 1.18 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2chs h GLU 17 CO 0.30 0.08 0.34 1.49 -0.73 0.00 0.00 179.01 180.49 2chs h GLU 18 N 0.13 0.78 -0.31 1.92 4.22 -1.97 -0.15 114.58 119.19 2chs h GLU 18 Ca 0.19 -0.08 -0.13 0.00 0.08 0.00 0.00 59.36 59.43 2chs h GLU 18 Cb 0.27 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2chs h GLU 18 CO -0.31 0.57 -0.32 1.49 -2.18 0.00 0.00 179.01 178.26 2chs h GLU 19 N 0.77 0.75 -0.06 1.92 4.81 -1.88 -1.17 114.58 119.72 2chs h GLU 19 Ca 0.20 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2chs h GLU 19 Cb -0.00 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2chs h GLU 19 CO -0.04 1.03 0.03 0.82 -0.73 0.00 0.00 179.01 180.12 2chs h ILE 20 N 0.51 1.11 -0.25 2.32 2.04 -1.23 -0.91 117.51 121.10 2chs h ILE 20 Ca 0.05 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2chs h ILE 20 Cb 0.89 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2chs h ILE 20 CO 0.08 0.09 0.15 -0.07 0.00 0.00 0.00 178.15 178.39 2chs h LEU 21 N -0.03 0.30 -0.08 1.44 3.38 -0.97 -0.77 115.31 118.59 2chs h LEU 21 Ca 0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2chs h LEU 21 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2chs h LEU 21 CO -0.00 0.28 0.04 -0.61 0.09 0.00 0.00 178.44 178.23 2chs h GLN 22 N 0.30 0.12 -0.49 1.13 4.15 -1.23 -0.79 115.11 118.30 2chs h GLN 22 Ca 0.09 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.40 2chs h GLN 22 Cb 0.03 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2chs h GLN 22 CO -0.02 0.19 -0.07 0.87 -1.93 0.00 0.00 178.83 177.88 2chs h LYS 23 N 0.01 0.86 -0.46 1.69 1.79 -1.05 -1.63 116.57 117.79 2chs h LYS 23 Ca 0.03 -0.28 -0.10 0.00 -2.18 0.00 0.00 60.65 58.12 2chs h LYS 23 Cb 0.11 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2chs h LYS 23 CO -0.00 0.90 -0.09 1.15 -1.08 0.00 0.00 179.45 180.33 2chs h THR 24 N 0.78 1.27 -0.23 -0.16 2.02 -1.05 -1.43 112.91 114.11 2chs h THR 24 Ca 0.14 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.15 2chs h THR 24 Cb 0.57 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 2chs h THR 24 CO 0.03 0.41 0.00 0.50 0.37 0.00 0.00 175.52 176.84 2chs h LYS 25 N 0.71 0.08 -0.48 6.66 3.64 -1.04 -0.21 116.57 125.92 2chs h LYS 25 Ca 0.12 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2chs h LYS 25 Cb 0.63 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2chs h LYS 25 CO 0.04 0.05 -0.05 1.96 -2.27 0.00 0.00 179.45 179.18 2chs h GLN 26 N 0.08 0.84 -0.21 1.90 4.20 -1.22 -0.17 115.11 120.53 2chs h GLN 26 Ca 0.11 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2chs h GLN 26 Cb 0.14 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2chs h GLN 26 CO -0.18 0.88 0.06 1.25 -0.67 0.00 0.00 178.83 180.16 2chs h LEU 27 N 0.77 0.32 -0.68 1.46 5.85 -0.72 -2.41 115.31 119.91 2chs h LEU 27 Ca 0.14 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2chs h LEU 27 Cb 0.54 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2chs h LEU 27 CO 0.03 0.45 0.37 -0.07 -0.34 0.00 0.00 178.44 178.89 2chs h LEU 28 N 0.17 0.84 -0.82 2.25 3.38 -0.79 -1.38 115.31 118.96 2chs h LEU 28 Ca 0.07 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2chs h LEU 28 Cb 0.25 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 2chs h LEU 28 CO -0.00 0.69 0.49 -0.33 0.09 0.00 0.00 178.44 179.38 2chs h GLU 29 N 0.92 0.85 -0.37 1.13 5.08 -0.97 -1.68 114.58 119.53 2chs h GLU 29 Ca 0.24 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 2chs h GLU 29 Cb 0.03 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2chs h GLU 29 CO -0.04 0.56 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.91 2chs h LYS 30 N 0.87 0.92 -0.55 2.33 1.63 -0.92 -1.15 116.57 119.69 2chs h LYS 30 Ca 0.38 -0.49 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 2chs h LYS 30 Cb 0.25 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 2chs h LYS 30 CO -0.20 1.14 0.25 0.82 -3.45 0.00 0.00 179.45 178.01 2chs h ILE 31 N 0.75 1.21 -0.75 2.00 2.04 -0.76 -1.52 117.51 120.48 2chs h ILE 31 Ca 0.06 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 2chs h ILE 31 Cb 0.99 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2chs h ILE 31 CO 0.10 0.25 0.26 0.40 0.00 0.00 0.00 178.15 179.15 2chs h ILE 32 N 0.75 1.26 0.80 -0.67 2.04 -1.12 0.12 117.51 120.69 2chs h ILE 32 Ca 0.19 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 2chs h ILE 32 Cb 0.16 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2chs h ILE 32 CO -0.02 0.35 -0.38 -0.08 0.00 0.00 0.00 178.15 178.01 2chs h GLU 33 N 1.10 -1.03 -0.62 2.37 4.81 -1.12 0.25 114.58 120.33 2chs h GLU 33 Ca 0.24 0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2chs h GLU 33 Cb 0.28 0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 2chs h GLU 33 CO -0.01 -0.68 0.41 0.93 -0.73 0.00 0.00 179.01 178.93 2chs h GLU 34 N -1.13 0.82 -0.02 1.92 4.39 -1.05 -2.83 114.58 116.68 2chs h GLU 34 Ca -0.11 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2chs h GLU 34 Cb 0.83 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2chs h GLU 34 CO 0.18 0.54 -0.05 0.09 -1.16 0.00 0.00 179.01 178.61 2chs n ASN 35 N -4.65 2.39 -3.73 1.42 3.02 0.40 -4.92 115.26 109.19 2chs n ASN 35 Ca 0.05 -1.76 -0.22 0.00 -0.03 0.00 0.00 54.58 52.61 2chs n ASN 35 Cb 0.02 0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.26 2chs n ASN 35 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2chs n HIS 36 N 0.80 -1.88 -3.01 3.10 8.25 0.82 -4.92 115.22 118.38 2chs n HIS 36 Ca 0.15 0.81 -0.40 0.00 -0.26 0.00 0.00 57.72 58.02 2chs n HIS 36 Cb 0.51 -4.26 -0.05 0.00 1.12 0.00 0.00 29.99 27.31 2chs n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2chs s THR 37 N -3.70 5.01 -0.10 1.59 2.01 -0.94 -5.04 115.64 114.47 2chs s THR 37 Ca 0.03 1.50 -0.08 0.00 0.31 0.00 0.00 61.69 63.44 2chs s THR 37 Cb -0.01 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2chs s THR 37 CO 0.82 0.21 0.18 -0.54 -0.69 0.00 0.00 174.62 174.61 2chs s LYS 38 N 1.03 3.52 0.18 4.92 -0.14 -1.26 -4.91 119.74 123.07 2chs s LYS 38 Ca 0.38 -0.05 -0.14 0.00 -1.36 0.00 0.00 55.97 54.80 2chs s LYS 38 Cb -0.18 -3.20 0.16 0.00 -1.68 0.00 0.00 37.83 32.94 2chs s LYS 38 CO 0.18 0.76 1.69 -1.00 -0.76 0.00 0.00 175.35 176.22 2chs h PRO 39 N 4.96 0.12 -0.11 -1.68 0.13 -1.96 -0.95 132.00 132.51 2chs h PRO 39 Ca -0.54 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2chs h PRO 39 Cb 1.23 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2chs h PRO 39 CO 0.59 0.08 0.40 1.05 -0.23 0.00 0.00 178.00 179.89 2chs h GLU 40 N 0.12 0.00 -0.13 0.86 9.09 -1.96 0.66 114.58 123.23 2chs h GLU 40 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 2chs h GLU 40 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 2chs h GLU 40 CO -0.38 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.43 2chs n ASP 41 N -3.07 1.53 -4.57 3.06 8.00 -0.36 -4.82 116.55 116.31 2chs n ASP 41 Ca 0.01 -1.64 -0.40 0.00 0.71 0.00 0.00 54.79 53.47 2chs n ASP 41 Cb 0.48 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.41 2chs n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2chs s VAL 42 N -1.84 5.18 0.04 2.53 1.01 0.22 -1.37 120.40 126.17 2chs s VAL 42 Ca 0.33 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 2chs s VAL 42 Cb 0.18 -3.74 -0.17 0.00 0.00 0.00 0.00 36.38 32.64 2chs s VAL 42 CO 0.28 0.04 1.53 0.58 0.00 0.00 0.00 175.10 177.52 2chs h VAL 43 N 5.47 1.10 -1.22 2.92 2.07 -1.13 -3.45 116.25 122.01 2chs h VAL 43 Ca -0.31 -0.46 0.35 0.00 0.82 0.00 0.00 66.70 67.10 2chs h VAL 43 Cb 1.16 1.40 -0.15 0.00 -1.52 0.00 0.00 31.29 32.18 2chs h VAL 43 CO 0.66 0.12 0.92 0.00 0.02 0.00 0.00 177.57 179.28 2chs s GLN 44 N -5.37 0.18 0.01 1.57 -2.07 -1.23 -4.58 119.66 108.15 2chs s GLN 44 Ca -0.14 -0.09 -0.02 0.00 -1.82 0.00 0.00 55.36 53.29 2chs s GLN 44 Cb 0.04 0.07 -0.01 0.00 -1.09 0.00 0.00 33.01 32.02 2chs s GLN 44 CO 0.66 -0.08 0.02 1.41 -1.32 0.00 0.00 175.29 175.98 2chs s MET 45 N -2.20 0.26 -0.01 9.60 1.75 -0.39 -0.64 119.30 127.67 2chs s MET 45 Ca 0.13 -0.36 0.05 0.00 -1.25 0.00 0.00 55.69 54.27 2chs s MET 45 Cb 0.04 0.10 -0.01 0.00 2.84 0.00 0.00 34.83 37.80 2chs s MET 45 CO -0.05 -0.05 -0.16 -0.51 -0.65 0.00 0.00 175.02 173.60 2chs s LEU 46 N -0.97 2.04 -0.05 4.11 1.43 -0.74 -2.45 118.68 122.06 2chs s LEU 46 Ca -0.11 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 2chs s LEU 46 Cb -0.06 -0.82 -0.00 0.00 0.03 0.00 0.00 46.19 45.34 2chs s LEU 46 CO -0.00 0.19 -0.16 -0.76 0.23 0.00 0.00 176.35 175.85 2chs s LEU 47 N -0.44 1.87 0.25 1.79 1.43 -0.39 -1.69 118.68 121.50 2chs s LEU 47 Ca 0.06 -0.34 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2chs s LEU 47 Cb -0.06 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 2chs s LEU 47 CO -0.00 0.13 -0.10 -0.94 0.23 0.00 0.00 176.35 175.67 2chs s SER 48 N 0.15 4.13 0.03 2.29 1.04 -0.45 -1.46 113.70 119.42 2chs s SER 48 Ca -0.06 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.63 2chs s SER 48 Cb -0.12 -0.62 -0.02 0.00 0.10 0.00 0.00 66.02 65.36 2chs s SER 48 CO 0.02 0.04 -0.07 0.00 0.98 0.00 0.00 173.24 174.21 2chs s ALA 49 N -2.23 0.55 0.62 5.32 0.00 -1.04 -1.99 121.76 123.00 2chs s ALA 49 Ca 0.29 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 2chs s ALA 49 Cb -0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2chs s ALA 49 CO 0.17 0.04 1.16 0.25 0.00 0.00 0.00 175.76 177.38 2chs n THR 50 N 2.03 4.35 0.04 0.00 -2.24 -0.68 -0.98 114.28 116.79 2chs n THR 50 Ca -0.19 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2chs n THR 50 Cb 0.56 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 2chs n THR 50 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2chs n PRO 51 N -1.46 0.02 -0.11 -0.78 -0.04 -1.26 -2.63 135.00 128.73 2chs n PRO 51 Ca 0.15 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 2chs n PRO 51 Cb 0.47 -1.02 0.12 0.00 -0.04 0.00 0.00 33.50 33.03 2chs n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2chs n ASP 52 N -0.52 2.60 -4.26 3.54 5.68 -1.26 -4.91 116.55 117.42 2chs n ASP 52 Ca 0.00 -1.81 -0.33 0.00 -0.50 0.00 0.00 54.79 52.15 2chs n ASP 52 Cb 0.00 -0.15 -0.15 0.00 -1.14 0.00 0.00 41.12 39.68 2chs n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2chs s LEU 53 N -0.99 2.48 0.00 -2.12 1.43 -1.08 -4.84 118.68 113.56 2chs s LEU 53 Ca 0.20 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2chs s LEU 53 Cb 0.12 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.77 2chs s LEU 53 CO 0.16 0.07 0.00 1.41 0.23 0.00 0.00 176.35 178.22 2chs n HIS 54 N 4.17 0.00 -0.21 0.29 8.25 -1.26 -4.94 115.22 121.52 2chs n HIS 54 Ca -0.19 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.20 2chs n HIS 54 Cb 0.51 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.65 2chs n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2chs h ALA 55 N 0.00 0.77 -2.50 -1.41 0.00 -1.91 -3.46 119.26 110.76 2chs h ALA 55 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2chs h ALA 55 Cb 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 17.79 17.39 2chs h ALA 55 CO 0.00 0.37 -0.07 0.54 0.00 0.00 0.00 179.25 180.08 2chs s VAL 56 N -5.61 0.05 0.10 0.00 0.11 -1.26 -4.75 120.40 109.04 2chs s VAL 56 Ca -0.13 -0.40 -0.31 0.00 -2.93 0.00 0.00 61.98 58.22 2chs s VAL 56 Cb 0.13 -0.94 -0.07 0.00 -1.53 0.00 0.00 36.38 33.97 2chs s VAL 56 CO 0.79 -0.22 1.31 -0.36 -3.33 0.00 0.00 175.10 173.30 2chs s PHE 57 N -2.35 3.32 0.46 1.54 0.08 -1.26 -4.93 117.98 114.84 2chs s PHE 57 Ca -0.06 1.09 0.14 0.00 0.12 0.00 0.00 56.93 58.23 2chs s PHE 57 Cb -0.01 -3.58 1.09 0.00 -0.57 0.00 0.00 43.02 39.95 2chs s PHE 57 CO -0.01 -1.94 2.04 -1.35 -0.10 0.00 0.00 175.22 173.85 2chs h PRO 58 N 6.76 0.30 -0.45 0.24 0.11 -1.96 -2.89 132.00 134.11 2chs h PRO 58 Ca -0.42 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.80 2chs h PRO 58 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2chs h PRO 58 CO 0.84 0.20 0.62 0.00 -0.21 0.00 0.00 178.00 179.45 2chs h ALA 59 N 1.77 2.16 -0.04 -0.75 0.00 -1.95 -1.44 119.26 119.01 2chs h ALA 59 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2chs h ALA 59 Cb 0.35 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2chs h ALA 59 CO -0.04 -0.85 0.03 -0.22 0.00 0.00 0.00 179.25 178.17 2chs h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.92 -2.39 116.57 115.89 2chs h LYS 60 Ca 0.21 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 2chs h LYS 60 Cb 1.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 2chs h LYS 60 CO -0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 179.45 176.86 2chs h ALA 61 N 1.97 1.22 -0.87 5.00 0.00 -1.51 -3.01 119.26 122.06 2chs h ALA 61 Ca 0.02 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2chs h ALA 61 Cb 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2chs h ALA 61 CO -0.00 0.39 0.57 0.28 0.00 0.00 0.00 179.25 180.49 2chs h VAL 62 N 0.00 1.03 0.00 0.00 2.07 -1.63 -1.94 116.25 115.77 2chs h VAL 62 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2chs h VAL 62 Cb 0.67 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2chs h VAL 62 CO 0.04 0.17 0.00 0.54 0.02 0.00 0.00 177.57 178.34 2chs n ARG 63 N -4.50 0.14 0.02 1.57 5.12 -1.14 -1.53 116.66 116.34 2chs n ARG 63 Ca 0.14 0.18 0.12 0.00 -1.93 0.00 0.00 57.85 56.35 2chs n ARG 63 Cb 0.24 -1.50 0.26 0.00 -1.16 0.00 0.00 32.46 30.30 2chs n ARG 63 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2chs n GLU 64 N -1.24 0.11 -3.45 5.56 -0.58 -0.73 -4.76 120.64 115.55 2chs n GLU 64 Ca 0.04 0.03 -0.38 0.00 -0.42 0.00 0.00 57.16 56.43 2chs n GLU 64 Cb 0.06 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 29.26 2chs n GLU 64 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2chs s LEU 65 N -3.48 4.06 0.25 -4.62 1.43 -0.58 -5.04 118.68 110.69 2chs s LEU 65 Ca 0.09 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 2chs s LEU 65 Cb 0.16 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2chs s LEU 65 CO 0.69 -0.12 1.02 -0.44 0.23 0.00 0.00 176.35 177.73 2chs s SER 66 N 1.53 7.45 0.00 2.29 0.01 -1.26 -2.91 113.70 120.81 2chs s SER 66 Ca 0.13 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.48 2chs s SER 66 Cb -0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2chs s SER 66 CO 0.09 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2chs n GLY 67 N 1.43 1.49 1.25 3.44 0.00 -1.26 -4.93 105.19 106.61 2chs n GLY 67 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2chs n GLY 67 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2chs n TRP 68 N -2.00 0.75 0.26 1.61 7.02 -1.15 -4.56 117.44 119.38 2chs n TRP 68 Ca 0.00 -0.39 0.06 0.00 -1.02 0.00 0.00 57.50 56.15 2chs n TRP 68 Cb 0.00 -0.00 0.27 0.00 -2.42 0.00 0.00 31.31 29.16 2chs n TRP 68 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2chs n GLN 69 N 1.55 0.05 -0.11 -0.99 0.00 -1.26 -2.21 117.38 114.41 2chs n GLN 69 Ca 0.22 0.42 0.04 0.00 0.00 0.00 0.00 57.00 57.68 2chs n GLN 69 Cb 0.61 -1.62 0.09 0.00 0.00 0.00 0.00 30.24 29.32 2chs n GLN 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2chs n TYR 70 N -1.73 0.25 -2.62 2.61 4.01 -1.26 -4.99 117.16 113.44 2chs n TYR 70 Ca 0.01 -0.58 -0.43 0.00 -0.16 0.00 0.00 57.90 56.74 2chs n TYR 70 Cb 0.10 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 2chs n TYR 70 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2chs s VAL 71 N -1.35 4.62 0.11 -0.72 1.01 -0.94 -5.02 120.40 118.12 2chs s VAL 71 Ca 0.15 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 63.74 2chs s VAL 71 Cb 0.10 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 2chs s VAL 71 CO 0.07 -0.05 1.40 -2.16 0.00 0.00 0.00 175.10 174.36 2chs s PRO 72 N 2.40 4.31 0.03 2.72 0.04 -1.26 -4.97 135.00 138.27 2chs s PRO 72 Ca 0.49 2.08 0.02 0.00 0.04 0.00 0.00 61.00 63.63 2chs s PRO 72 Cb -0.19 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 2chs s PRO 72 CO 0.16 -0.45 -0.07 0.14 0.04 0.00 0.00 177.00 176.83 2chs s VAL 73 N 1.15 0.46 0.07 -0.36 -7.23 -1.26 -1.26 120.40 111.97 2chs s VAL 73 Ca 0.65 -0.87 -0.16 0.00 -1.81 0.00 0.00 61.98 59.78 2chs s VAL 73 Cb -0.37 -0.51 0.03 0.00 0.56 0.00 0.00 36.38 36.09 2chs s VAL 73 CO 0.30 -0.29 0.38 0.28 -0.31 0.00 0.00 175.10 175.46 2chs s THR 74 N -1.12 0.07 0.22 5.32 -1.32 -1.03 -4.99 115.64 112.79 2chs s THR 74 Ca -0.08 -0.56 0.08 0.00 -1.21 0.00 0.00 61.69 59.92 2chs s THR 74 Cb -0.08 -1.04 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 2chs s THR 74 CO 0.00 -0.31 0.00 0.00 -2.21 0.00 0.00 174.62 172.10 2chs s MET 76 N -3.28 1.09 -0.19 0.00 0.23 -0.54 -4.91 119.30 111.71 2chs s MET 76 Ca 0.29 -1.20 -0.14 0.00 -1.03 0.00 0.00 55.69 53.61 2chs s MET 76 Cb -0.08 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.53 2chs s MET 76 CO 0.19 -0.38 0.30 -1.14 -2.03 0.00 0.00 175.02 171.96 2chs s GLN 77 N -3.97 4.20 0.61 3.16 0.74 -1.26 -2.48 119.66 120.65 2chs s GLN 77 Ca 0.17 0.06 -0.17 0.00 0.05 0.00 0.00 55.36 55.47 2chs s GLN 77 Cb 0.04 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.64 2chs s GLN 77 CO -0.01 0.12 1.11 -2.00 -0.55 0.00 0.00 175.29 173.96 2chs s GLU 78 N 0.85 3.05 0.49 1.67 2.56 -0.16 -4.85 118.70 122.31 2chs s GLU 78 Ca 0.16 1.46 -0.21 0.00 0.00 0.00 0.00 54.97 56.37 2chs s GLU 78 Cb -0.14 -1.98 -0.08 0.00 2.00 0.00 0.00 34.13 33.94 2chs s GLU 78 CO 0.05 -1.06 1.08 0.00 -0.56 0.00 0.00 175.26 174.77 2chs s MET 79 N -3.79 3.71 -0.45 4.30 0.23 -1.26 -4.38 119.30 117.66 2chs s MET 79 Ca 0.69 1.49 -0.22 0.00 -1.03 0.00 0.00 55.69 56.62 2chs s MET 79 Cb -0.21 -2.15 0.03 0.00 -1.53 0.00 0.00 34.83 30.97 2chs s MET 79 CO 0.36 -0.53 0.72 0.34 -2.03 0.00 0.00 175.02 173.87 2chs s ASP 80 N -1.81 6.36 -0.16 -1.18 2.15 -1.26 -4.87 116.67 115.89 2chs s ASP 80 Ca 0.67 -0.28 -0.06 0.00 0.43 0.00 0.00 52.55 53.32 2chs s ASP 80 Cb -0.20 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 2chs s ASP 80 CO 0.24 -0.87 0.04 -0.69 -0.17 0.00 0.00 175.17 173.72 2chs s VAL 81 N 3.07 4.57 -0.25 1.11 1.01 -1.26 -5.05 120.40 123.61 2chs s VAL 81 Ca 0.26 -0.12 -0.34 0.00 0.00 0.00 0.00 61.98 61.78 2chs s VAL 81 Cb -0.13 -3.03 -0.11 0.00 0.00 0.00 0.00 36.38 33.11 2chs s VAL 81 CO 0.20 0.49 2.08 0.41 0.00 0.00 0.00 175.10 178.28 2chs n THR 82 N 3.30 0.34 -1.42 3.92 -1.04 -1.26 -0.88 114.28 117.24 2chs n THR 82 Ca -0.17 -0.24 -0.01 0.00 -2.04 0.00 0.00 64.05 61.59 2chs n THR 82 Cb 0.53 -1.85 -0.00 0.00 -1.82 0.00 0.00 70.33 67.18 2chs n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2chs n GLY 83 N 5.65 0.40 3.96 3.41 0.00 -1.26 -5.06 105.19 112.29 2chs n GLY 83 Ca 0.33 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 2chs n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2chs s GLY 84 N -2.98 1.75 0.12 -0.02 0.00 -0.06 -5.03 107.32 101.10 2chs s GLY 84 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 2chs s GLY 84 CO 0.00 -0.81 1.06 -2.27 0.00 0.00 0.00 173.10 171.08 2chs s LEU 85 N -5.15 4.46 0.37 0.66 2.96 -1.26 -5.01 118.68 115.70 2chs s LEU 85 Ca 0.62 1.94 -0.08 0.00 -0.22 0.00 0.00 54.13 56.39 2chs s LEU 85 Cb -0.09 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 2chs s LEU 85 CO 0.44 -0.22 0.69 -0.54 -1.32 0.00 0.00 176.35 175.40 2chs s LYS 86 N 0.13 3.71 -1.42 1.98 -0.14 -1.26 -4.40 119.74 118.34 2chs s LYS 86 Ca 0.50 0.27 -0.04 0.00 -1.36 0.00 0.00 55.97 55.34 2chs s LYS 86 Cb -0.27 -2.49 0.03 0.00 -1.68 0.00 0.00 37.83 33.43 2chs s LYS 86 CO 0.32 0.05 0.67 1.63 -0.76 0.00 0.00 175.35 177.25 2chs n LYS 87 N -1.24 -4.36 -4.71 1.68 5.02 -1.26 -4.81 118.16 108.48 2chs n LYS 87 Ca 0.01 0.52 -0.33 0.00 -2.02 0.00 0.00 58.31 56.49 2chs n LYS 87 Cb 0.54 -5.02 -0.13 0.00 -0.02 0.00 0.00 35.03 30.40 2chs n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2chs s ILE 89 N -0.07 2.79 0.12 0.00 1.01 0.21 -1.68 121.20 123.58 2chs s ILE 89 Ca -0.01 -0.73 0.10 0.00 0.00 0.00 0.00 60.65 60.01 2chs s ILE 89 Cb -0.14 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2chs s ILE 89 CO 0.03 0.51 -0.25 -0.13 0.00 0.00 0.00 174.94 175.10 2chs s ARG 90 N 0.77 1.53 0.06 2.79 0.52 -0.84 -1.34 118.95 122.43 2chs s ARG 90 Ca -0.06 -1.29 0.06 0.00 -0.52 0.00 0.00 55.73 53.93 2chs s ARG 90 Cb -0.15 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 2chs s ARG 90 CO 0.01 0.46 -0.17 0.54 0.02 0.00 0.00 175.30 176.16 2chs s VAL 91 N -1.04 1.38 -0.36 3.52 0.11 -0.42 -1.34 120.40 122.26 2chs s VAL 91 Ca 0.14 -1.20 0.03 0.00 -2.93 0.00 0.00 61.98 58.02 2chs s VAL 91 Cb -0.10 -1.25 0.11 0.00 -1.53 0.00 0.00 36.38 33.61 2chs s VAL 91 CO 0.06 0.02 0.09 -0.32 -3.33 0.00 0.00 175.10 171.62 2chs s MET 92 N -1.38 1.37 -0.11 1.54 1.75 -0.68 -2.50 119.30 119.28 2chs s MET 92 Ca 0.04 -1.80 -0.10 0.00 -1.25 0.00 0.00 55.69 52.57 2chs s MET 92 Cb -0.09 -2.92 -0.05 0.00 2.84 0.00 0.00 34.83 34.61 2chs s MET 92 CO 0.02 -0.98 0.23 1.41 -0.65 0.00 0.00 175.02 175.05 2chs s MET 93 N 0.89 3.79 -0.21 4.11 1.75 -0.04 -1.78 119.30 127.80 2chs s MET 93 Ca 0.12 0.02 -0.01 0.00 -1.25 0.00 0.00 55.69 54.57 2chs s MET 93 Cb -0.20 -3.27 0.02 0.00 2.84 0.00 0.00 34.83 34.22 2chs s MET 93 CO -0.10 0.60 -0.12 0.99 -0.65 0.00 0.00 175.02 175.74 2chs s THR 94 N -0.58 2.61 0.08 10.11 2.01 0.18 -0.03 115.64 130.02 2chs s THR 94 Ca 0.16 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2chs s THR 94 Cb -0.13 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2chs s THR 94 CO 0.05 0.38 -0.16 0.68 -0.69 0.00 0.00 174.62 174.88 2chs s VAL 95 N 1.33 1.30 -0.24 3.82 -7.23 -0.14 -0.54 120.40 118.70 2chs s VAL 95 Ca 0.03 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 58.56 2chs s VAL 95 Cb -0.15 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.57 2chs s VAL 95 CO -0.08 -0.17 0.92 -1.58 -0.31 0.00 0.00 175.10 173.88 2chs s GLN 96 N -1.79 4.20 0.20 4.82 0.74 -0.47 -0.43 119.66 126.93 2chs s GLN 96 Ca 0.01 1.09 -0.15 0.00 0.05 0.00 0.00 55.36 56.35 2chs s GLN 96 Cb -0.10 -3.65 0.01 0.00 1.10 0.00 0.00 33.01 30.37 2chs s GLN 96 CO 0.03 -0.59 0.48 -0.08 -0.55 0.00 0.00 175.29 174.58 2chs s THR 97 N 3.02 0.03 -0.21 -0.34 -1.32 -0.44 -4.96 115.64 111.42 2chs s THR 97 Ca 0.39 -1.02 0.12 0.00 -1.21 0.00 0.00 61.69 59.96 2chs s THR 97 Cb -0.15 -1.76 -0.16 0.00 -1.51 0.00 0.00 72.50 68.92 2chs s THR 97 CO 0.07 -0.13 0.34 -0.67 -2.21 0.00 0.00 174.62 172.03 2chs n ASP 98 N -0.33 1.67 -4.74 8.08 -0.08 -1.26 -1.38 116.55 118.51 2chs n ASP 98 Ca -0.08 -0.28 -0.41 0.00 -1.51 0.00 0.00 54.79 52.51 2chs n ASP 98 Cb 0.62 1.34 -0.03 0.00 2.34 0.00 0.00 41.12 45.39 2chs n ASP 98 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2chs s VAL 99 N -2.54 3.30 0.47 5.18 1.01 -1.26 -4.96 120.40 121.60 2chs s VAL 99 Ca -0.01 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.83 2chs s VAL 99 Cb 0.08 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.67 2chs s VAL 99 CO 0.48 0.16 0.64 -2.65 0.00 0.00 0.00 175.10 173.73 2chs n PRO 100 N 2.65 0.70 -0.30 2.72 -0.02 -1.26 -4.82 135.00 134.67 2chs n PRO 100 Ca 0.06 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 2chs n PRO 100 Cb 0.43 -1.68 0.24 0.00 -0.02 0.00 0.00 33.50 32.48 2chs n PRO 100 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2chs h GLN 101 N 0.76 0.58 0.00 -0.52 4.15 -1.98 0.11 115.11 118.20 2chs h GLN 101 Ca -0.43 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2chs h GLN 101 Cb 1.39 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2chs h GLN 101 CO 0.51 0.38 0.00 -0.40 -1.93 0.00 0.00 178.83 177.40 2chs n ASP 102 N -4.89 0.00 -0.86 -0.69 5.68 -1.26 -2.98 116.55 111.55 2chs n ASP 102 Ca 0.18 0.07 0.08 0.00 -0.50 0.00 0.00 54.79 54.62 2chs n ASP 102 Cb 0.48 -0.33 0.18 0.00 -1.14 0.00 0.00 41.12 40.31 2chs n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2chs n GLN 103 N -1.33 2.40 -2.52 0.11 6.02 0.36 -4.97 117.38 117.45 2chs n GLN 103 Ca 0.10 -2.08 -0.41 0.00 -0.01 0.00 0.00 57.00 54.60 2chs n GLN 103 Cb 0.20 -1.37 -0.04 0.00 1.02 0.00 0.00 30.24 30.05 2chs n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2chs s ILE 104 N -1.09 3.88 -0.53 5.09 -1.09 -1.16 -4.94 121.20 121.36 2chs s ILE 104 Ca 0.30 1.63 -0.18 0.00 -2.23 0.00 0.00 60.65 60.16 2chs s ILE 104 Cb 0.16 -4.04 0.08 0.00 -1.58 0.00 0.00 42.46 37.08 2chs s ILE 104 CO 0.22 0.28 0.61 -0.13 -1.23 0.00 0.00 174.94 174.69 2chs s ARG 105 N -0.37 3.08 0.17 2.79 0.52 -1.26 -5.05 118.95 118.82 2chs s ARG 105 Ca 0.49 -1.11 -0.26 0.00 -0.52 0.00 0.00 55.73 54.33 2chs s ARG 105 Cb -0.29 -4.16 -0.08 0.00 0.52 0.00 0.00 34.95 30.94 2chs s ARG 105 CO 0.35 -1.29 0.81 -1.01 0.02 0.00 0.00 175.30 174.18 2chs s HIS 106 N 2.46 3.90 -0.11 -0.53 3.76 -1.26 -4.82 115.29 118.70 2chs s HIS 106 Ca 0.12 1.68 0.01 0.00 -0.15 0.00 0.00 55.06 56.71 2chs s HIS 106 Cb -0.22 -2.82 -0.02 0.00 1.11 0.00 0.00 32.58 30.63 2chs s HIS 106 CO 0.09 0.47 -0.13 0.08 -0.85 0.00 0.00 174.74 174.41 2chs s VAL 107 N -1.01 3.10 -0.11 -0.90 1.01 -0.56 -4.97 120.40 116.96 2chs s VAL 107 Ca 0.37 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2chs s VAL 107 Cb -0.23 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2chs s VAL 107 CO 0.27 0.54 -0.09 -0.31 0.00 0.00 0.00 175.10 175.51 2chs s TYR 108 N 0.09 1.53 0.23 5.22 2.02 -1.26 -1.31 117.35 123.86 2chs s TYR 108 Ca -0.05 -0.73 0.06 0.00 -0.37 0.00 0.00 57.07 55.97 2chs s TYR 108 Cb -0.15 -1.23 -0.05 0.00 -0.40 0.00 0.00 41.96 40.14 2chs s TYR 108 CO 0.04 -0.48 -0.08 -0.51 -1.57 0.00 0.00 175.55 172.95 2chs s LEU 109 N 1.49 2.46 0.00 -1.29 1.43 -0.26 -4.53 118.68 117.98 2chs s LEU 109 Ca 0.01 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 2chs s LEU 109 Cb -0.13 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.53 2chs s LEU 109 CO -0.06 -0.31 0.00 -0.62 0.23 0.00 0.00 176.35 175.59 2chs n GLU 110 N -0.44 0.00 0.06 1.70 -0.58 -1.26 -1.93 120.64 118.19 2chs n GLU 110 Ca -0.07 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.75 2chs n GLU 110 Cb 0.62 0.00 0.35 0.00 -0.57 0.00 0.00 31.44 31.84 2chs n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2chs n LYS 111 N 14.00 0.08 0.00 3.49 5.02 -1.26 -1.73 118.16 137.76 2chs n LYS 111 Ca 0.00 0.41 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 2chs n LYS 111 Cb 0.00 -1.68 0.66 0.00 -0.02 0.00 0.00 35.03 33.99 2chs n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2chs n ALA 112 N -1.62 2.38 0.40 7.82 0.00 -0.81 -2.72 120.51 125.95 2chs n ALA 112 Ca 0.02 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.35 2chs n ALA 112 Cb 0.14 -1.36 0.20 0.00 0.00 0.00 0.00 19.45 18.42 2chs n ALA 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2chs n VAL 113 N -0.96 0.48 1.04 0.00 0.24 -0.71 -1.59 118.33 116.83 2chs n VAL 113 Ca 0.17 0.12 0.03 0.00 -2.04 0.00 0.00 64.34 62.61 2chs n VAL 113 Cb 0.08 -1.00 0.09 0.00 -1.47 0.00 0.00 33.84 31.54 2chs n VAL 113 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2chs n VAL 114 N -1.16 0.44 -0.29 3.34 3.14 -1.10 -5.07 118.33 117.64 2chs n VAL 114 Ca 0.04 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 2chs n VAL 114 Cb 0.04 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.73 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55