#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 2.85 0.07 1.12 -4.36 -1.26 0.20 121.20 119.81 2chs s ILE 3 Ca 0.00 -1.13 0.02 0.00 -0.26 0.00 0.00 60.65 59.27 2chs s ILE 3 Cb 0.00 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.48 2chs s ILE 3 CO 0.00 0.36 -0.07 -0.13 0.24 0.00 0.00 174.94 175.34 2chs s ARG 4 N -1.38 0.66 0.08 0.37 0.52 -0.20 -4.87 118.95 114.12 2chs s ARG 4 Ca 0.15 -1.04 -0.08 0.00 -0.52 0.00 0.00 55.73 54.24 2chs s ARG 4 Cb -0.11 -0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.12 2chs s ARG 4 CO 0.05 0.00 0.36 0.20 0.02 0.00 0.00 175.30 175.94 2chs s GLY 5 N -2.32 2.29 -0.04 -3.53 0.00 -1.26 -0.35 107.32 102.11 2chs s GLY 5 Ca 0.01 -0.48 0.06 0.00 0.00 0.00 0.00 44.72 44.31 2chs s GLY 5 CO -0.03 -0.31 -0.20 -0.42 0.00 0.00 0.00 173.10 172.14 2chs s ILE 6 N -1.45 1.66 0.16 0.90 1.01 0.11 -4.95 121.20 118.64 2chs s ILE 6 Ca 0.34 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.21 2chs s ILE 6 Cb -0.13 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 2chs s ILE 6 CO 0.20 0.47 -0.10 -0.13 0.00 0.00 0.00 174.94 175.38 2chs s ARG 7 N -0.22 2.07 0.03 2.79 1.81 -1.26 -0.66 118.95 123.50 2chs s ARG 7 Ca 0.01 -1.21 -0.27 0.00 -1.72 0.00 0.00 55.73 52.53 2chs s ARG 7 Cb -0.11 -2.19 0.07 0.00 -0.45 0.00 0.00 34.95 32.27 2chs s ARG 7 CO 0.01 0.45 0.63 0.20 -0.68 0.00 0.00 175.30 175.92 2chs s GLY 8 N -2.68 -0.57 -0.19 -3.53 0.00 -1.06 -1.65 107.32 97.64 2chs s GLY 8 Ca 0.24 0.97 -0.17 0.00 0.00 0.00 0.00 44.72 45.76 2chs s GLY 8 CO 0.15 0.63 0.49 0.00 0.00 0.00 0.00 173.10 174.37 2chs s ALA 9 N -2.13 -1.22 0.21 3.20 0.00 -0.26 -0.96 121.76 120.59 2chs s ALA 9 Ca -0.07 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.25 2chs s ALA 9 Cb -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2chs s ALA 9 CO 0.01 -0.24 0.25 -0.08 0.00 0.00 0.00 175.76 175.71 2chs s THR 10 N 0.32 0.01 0.13 0.00 -1.32 -0.78 -0.99 115.64 113.01 2chs s THR 10 Ca -0.00 -1.75 0.07 0.00 -1.21 0.00 0.00 61.69 58.80 2chs s THR 10 Cb -0.04 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 2chs s THR 10 CO -0.00 -0.06 -0.17 0.42 -2.21 0.00 0.00 174.62 172.59 2chs s THR 11 N -4.09 1.58 0.28 5.08 -4.23 -1.26 -1.75 115.64 111.26 2chs s THR 11 Ca 0.30 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 59.19 2chs s THR 11 Cb 0.04 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 2chs s THR 11 CO 0.09 -0.27 0.17 0.68 -0.54 0.00 0.00 174.62 174.76 2chs s VAL 12 N -1.76 3.88 -0.03 2.29 -7.23 -0.62 -4.83 120.40 112.10 2chs s VAL 12 Ca 0.10 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2chs s VAL 12 Cb -0.07 -3.20 -0.27 0.00 0.56 0.00 0.00 36.38 33.40 2chs s VAL 12 CO 0.05 -0.29 0.73 -0.33 -0.31 0.00 0.00 175.10 174.94 2chs h GLU 13 N 1.52 0.22 -4.34 4.82 4.39 -1.93 -3.46 114.58 115.79 2chs h GLU 13 Ca -0.46 -0.38 -0.28 0.00 0.34 0.00 0.00 59.36 58.57 2chs h GLU 13 Cb 1.25 0.14 -0.25 0.00 -0.10 0.00 0.00 28.75 29.79 2chs h GLU 13 CO 0.60 1.05 -0.74 1.03 -1.16 0.00 0.00 179.01 179.80 2chs s ARG 14 N -2.60 0.42 -1.13 2.33 0.52 -1.26 -5.07 118.95 112.16 2chs s ARG 14 Ca -0.11 -0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 54.45 2chs s ARG 14 Cb 0.07 -0.29 0.06 0.00 0.52 0.00 0.00 34.95 35.31 2chs s ARG 14 CO 0.83 0.07 1.57 0.34 0.02 0.00 0.00 175.30 178.13 2chs s ASP 15 N -0.81 6.62 0.01 0.23 2.15 -1.26 -4.66 116.67 118.94 2chs s ASP 15 Ca -0.04 -1.85 0.01 0.00 0.43 0.00 0.00 52.55 51.09 2chs s ASP 15 Cb -0.06 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 2chs s ASP 15 CO 0.00 -1.39 -0.03 0.28 -0.17 0.00 0.00 175.17 173.86 2chs s THR 16 N 4.74 0.19 0.18 1.71 -1.32 -1.26 -4.75 115.64 115.12 2chs s THR 16 Ca 0.49 -0.38 -0.13 0.00 -1.21 0.00 0.00 61.69 60.46 2chs s THR 16 Cb 0.02 -0.22 0.09 0.00 -1.51 0.00 0.00 72.50 70.88 2chs s THR 16 CO -0.03 -0.13 1.73 -0.08 -2.21 0.00 0.00 174.62 173.91 2chs h GLU 17 N 5.59 0.27 -0.53 7.08 4.81 -1.90 -1.29 114.58 128.62 2chs h GLU 17 Ca -0.28 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 2chs h GLU 17 Cb 1.20 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2chs h GLU 17 CO 0.47 0.18 0.15 1.49 -0.73 0.00 0.00 179.01 180.57 2chs h GLU 18 N 0.28 0.79 0.06 1.92 4.81 -1.97 -1.76 114.58 118.72 2chs h GLU 18 Ca 0.23 -0.15 -0.24 0.00 -0.13 0.00 0.00 59.36 59.07 2chs h GLU 18 Cb 0.27 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2chs h GLU 18 CO -0.27 0.70 -1.14 1.49 -0.73 0.00 0.00 179.01 179.05 2chs h GLU 19 N 0.77 0.13 -0.28 1.92 4.81 -1.63 -2.51 114.58 117.79 2chs h GLU 19 Ca 0.18 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2chs h GLU 19 Cb 0.25 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2chs h GLU 19 CO -0.01 1.09 0.12 0.82 -0.73 0.00 0.00 179.01 180.30 2chs h ILE 20 N 0.04 1.17 -0.39 2.32 2.04 -1.08 -2.43 117.51 119.18 2chs h ILE 20 Ca -0.08 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 2chs h ILE 20 Cb 1.88 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2chs h ILE 20 CO 0.16 0.18 -0.10 -0.07 0.00 0.00 0.00 178.15 178.32 2chs h LEU 21 N 0.31 0.77 -0.44 1.44 3.38 -1.30 -0.26 115.31 119.21 2chs h LEU 21 Ca 0.10 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2chs h LEU 21 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2chs h LEU 21 CO -0.01 0.96 0.20 -0.61 0.09 0.00 0.00 178.44 179.07 2chs h GLN 22 N 0.57 0.63 -0.06 1.13 4.15 -1.47 0.35 115.11 120.41 2chs h GLN 22 Ca 0.10 -0.10 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 2chs h GLN 22 Cb 0.62 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2chs h GLN 22 CO 0.04 0.56 -0.73 0.87 -1.93 0.00 0.00 178.83 177.64 2chs h LYS 23 N 0.56 0.34 -0.16 1.69 1.79 -1.31 0.81 116.57 120.29 2chs h LYS 23 Ca 0.15 -0.28 -0.11 0.00 -2.18 0.00 0.00 60.65 58.23 2chs h LYS 23 Cb 0.14 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2chs h LYS 23 CO -0.02 0.93 -0.32 1.15 -1.08 0.00 0.00 179.45 180.11 2chs h THR 24 N 0.23 1.35 -0.63 -0.16 2.02 -0.94 -1.74 112.91 113.04 2chs h THR 24 Ca -0.03 -1.58 0.01 0.00 0.77 0.00 0.00 66.41 65.58 2chs h THR 24 Cb 1.30 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 69.65 2chs h THR 24 CO 0.12 0.48 0.41 0.50 0.37 0.00 0.00 175.52 177.40 2chs h LYS 25 N 0.13 0.80 -0.66 6.66 3.64 -0.80 -0.62 116.57 125.72 2chs h LYS 25 Ca 0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2chs h LYS 25 Cb 0.92 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 2chs h LYS 25 CO 0.07 0.53 0.19 1.96 -2.27 0.00 0.00 179.45 179.93 2chs h GLN 26 N 0.83 1.02 -0.10 1.90 4.20 -0.85 0.12 115.11 122.24 2chs h GLN 26 Ca 0.24 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2chs h GLN 26 Cb -0.06 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 2chs h GLN 26 CO -0.07 0.89 0.01 1.25 -0.67 0.00 0.00 178.83 180.24 2chs h LEU 27 N 0.98 0.16 -0.93 1.46 5.85 -0.55 -2.53 115.31 119.75 2chs h LEU 27 Ca 0.21 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2chs h LEU 27 Cb 0.30 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2chs h LEU 27 CO -0.00 0.41 0.60 -0.07 -0.34 0.00 0.00 178.44 179.04 2chs h LEU 28 N -0.10 1.08 -1.30 2.25 3.38 -1.03 -1.89 115.31 117.70 2chs h LEU 28 Ca 0.03 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2chs h LEU 28 Cb 0.32 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2chs h LEU 28 CO 0.00 0.80 0.48 -0.33 0.09 0.00 0.00 178.44 179.48 2chs h GLU 29 N 1.27 0.93 -0.03 1.13 5.08 -0.63 -1.16 114.58 121.17 2chs h GLU 29 Ca 0.34 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.46 2chs h GLU 29 Cb -0.12 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 28.93 2chs h GLU 29 CO -0.07 0.61 -0.70 -0.22 -1.00 0.00 0.00 179.01 177.63 2chs h LYS 30 N 0.95 0.52 -0.21 2.33 1.63 -1.09 -1.68 116.57 119.02 2chs h LYS 30 Ca 0.27 -0.53 0.03 0.00 -0.85 0.00 0.00 60.65 59.57 2chs h LYS 30 Cb -0.08 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 2chs h LYS 30 CO -0.06 1.16 0.04 0.82 -3.45 0.00 0.00 179.45 177.96 2chs h ILE 31 N 0.09 0.90 0.02 2.00 2.04 -1.07 0.19 117.51 121.68 2chs h ILE 31 Ca -0.08 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2chs h ILE 31 Cb 1.38 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 2chs h ILE 31 CO 0.14 0.02 -0.10 0.40 0.00 0.00 0.00 178.15 178.61 2chs h ILE 32 N 0.12 0.75 -0.64 -0.67 2.04 -1.23 0.60 117.51 118.49 2chs h ILE 32 Ca 0.09 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.08 2chs h ILE 32 Cb 0.09 0.75 -0.09 0.00 -0.74 0.00 0.00 36.82 36.83 2chs h ILE 32 CO -0.13 0.00 0.12 -0.08 0.00 0.00 0.00 178.15 178.07 2chs h GLU 33 N -0.18 0.24 -0.36 2.37 4.81 -0.92 0.61 114.58 121.14 2chs h GLU 33 Ca 0.03 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 2chs h GLU 33 Cb 0.22 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2chs h GLU 33 CO -0.09 0.16 -0.35 0.93 -0.73 0.00 0.00 179.01 178.93 2chs h GLU 34 N 0.24 0.84 -0.27 1.92 4.39 -0.49 -3.27 114.58 117.94 2chs h GLU 34 Ca 0.34 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2chs h GLU 34 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2chs h GLU 34 CO -0.45 1.05 0.00 0.09 -1.16 0.00 0.00 179.01 178.54 2chs n ASN 35 N -4.06 2.83 -3.72 1.42 3.02 0.16 -4.87 115.26 110.04 2chs n ASN 35 Ca -0.01 -1.84 -0.23 0.00 -0.03 0.00 0.00 54.58 52.47 2chs n ASN 35 Cb 0.52 -0.18 0.03 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.88 -1.89 -3.04 3.10 8.25 0.21 -4.94 115.22 117.80 2chs n HIS 36 Ca 0.13 0.78 -0.40 0.00 -0.26 0.00 0.00 57.72 57.97 2chs n HIS 36 Cb 0.44 -4.17 -0.05 0.00 1.12 0.00 0.00 29.99 27.34 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 -3.69 4.80 -0.04 1.59 2.01 -0.95 -5.05 115.64 114.31 2chs s THR 37 Ca 0.07 1.53 0.01 0.00 0.31 0.00 0.00 61.69 63.62 2chs s THR 37 Cb -0.02 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2chs s THR 37 CO 0.83 0.36 -0.05 -0.54 -0.69 0.00 0.00 174.62 174.53 2chs s LYS 38 N 0.00 2.72 0.24 4.92 -0.14 -1.26 -4.93 119.74 121.29 2chs s LYS 38 Ca 0.37 -0.59 -0.05 0.00 -1.36 0.00 0.00 55.97 54.33 2chs s LYS 38 Cb -0.20 -2.59 0.33 0.00 -1.68 0.00 0.00 37.83 33.69 2chs s LYS 38 CO 0.21 0.65 1.86 -1.00 -0.76 0.00 0.00 175.35 176.31 2chs h PRO 39 N 4.94 1.00 0.00 -1.68 0.13 -1.94 0.09 132.00 134.54 2chs h PRO 39 Ca -0.49 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2chs h PRO 39 Cb 1.17 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2chs h PRO 39 CO 0.53 0.66 0.00 -0.85 -0.23 0.00 0.00 178.00 178.12 2chs n GLU 40 N -4.58 0.11 0.02 0.86 0.00 -1.26 -0.74 120.64 115.05 2chs n GLU 40 Ca 0.13 0.20 0.13 0.00 0.00 0.00 0.00 57.16 57.62 2chs n GLU 40 Cb 0.16 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.46 2chs n GLU 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2chs n ASP 41 N -1.27 0.40 -4.63 -1.84 8.00 0.02 -4.89 116.55 112.34 2chs n ASP 41 Ca 0.04 0.09 -0.39 0.00 0.71 0.00 0.00 54.79 55.24 2chs n ASP 41 Cb 0.06 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 -3.03 5.16 -0.05 2.53 1.01 0.08 -0.28 120.40 125.83 2chs s VAL 42 Ca 0.11 0.68 -0.26 0.00 0.00 0.00 0.00 61.98 62.50 2chs s VAL 42 Cb 0.17 -3.73 -0.22 0.00 0.00 0.00 0.00 36.38 32.60 2chs s VAL 42 CO 0.64 0.17 1.13 0.58 0.00 0.00 0.00 175.10 177.63 2chs h VAL 43 N 5.28 1.50 -1.81 2.92 2.07 -0.93 -3.46 116.25 121.82 2chs h VAL 43 Ca -0.32 -1.51 0.25 0.00 0.82 0.00 0.00 66.70 65.94 2chs h VAL 43 Cb 1.16 2.50 -0.12 0.00 -1.52 0.00 0.00 31.29 33.30 2chs h VAL 43 CO 0.68 0.40 0.69 0.00 0.02 0.00 0.00 177.57 179.35 2chs s GLN 44 N -3.68 0.68 -0.07 1.57 -2.07 -1.23 -4.58 119.66 110.28 2chs s GLN 44 Ca -0.17 -0.35 -0.07 0.00 -1.82 0.00 0.00 55.36 52.95 2chs s GLN 44 Cb 0.01 0.25 0.02 0.00 -1.09 0.00 0.00 33.01 32.19 2chs s GLN 44 CO 0.69 -0.31 0.19 1.41 -1.32 0.00 0.00 175.29 175.95 2chs s MET 45 N -2.76 0.23 -0.07 9.60 1.75 -0.63 -1.26 119.30 126.15 2chs s MET 45 Ca 0.12 0.24 0.05 0.00 -1.25 0.00 0.00 55.69 54.85 2chs s MET 45 Cb 0.02 0.11 -0.01 0.00 2.84 0.00 0.00 34.83 37.79 2chs s MET 45 CO -0.02 -0.03 -0.24 -0.51 -0.65 0.00 0.00 175.02 173.56 2chs s LEU 46 N 0.04 2.11 -0.12 4.11 1.43 -0.26 -2.41 118.68 123.59 2chs s LEU 46 Ca -0.01 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2chs s LEU 46 Cb -0.02 -1.40 -0.00 0.00 0.03 0.00 0.00 46.19 44.81 2chs s LEU 46 CO 0.00 0.22 -0.20 -0.76 0.23 0.00 0.00 176.35 175.84 2chs s LEU 47 N -0.02 2.28 0.14 1.79 1.43 -0.61 -0.65 118.68 123.05 2chs s LEU 47 Ca -0.08 -0.50 0.11 0.00 -1.03 0.00 0.00 54.13 52.63 2chs s LEU 47 Cb -0.15 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2chs s LEU 47 CO 0.05 0.14 -0.26 -0.94 0.23 0.00 0.00 176.35 175.56 2chs s SER 48 N 0.48 3.34 0.03 2.29 1.04 0.23 -1.63 113.70 119.48 2chs s SER 48 Ca -0.14 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 55.56 2chs s SER 48 Cb -0.17 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 2chs s SER 48 CO 0.05 0.17 -0.11 0.00 0.98 0.00 0.00 173.24 174.33 2chs s ALA 49 N -1.16 0.92 0.63 5.32 0.00 -1.04 -1.19 121.76 125.24 2chs s ALA 49 Ca 0.15 -0.68 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 2chs s ALA 49 Cb -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2chs s ALA 49 CO 0.07 0.16 0.96 0.25 0.00 0.00 0.00 175.76 177.19 2chs n THR 50 N 2.08 3.63 0.00 0.00 -2.24 -0.55 -1.29 114.28 115.90 2chs n THR 50 Ca -0.18 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2chs n THR 50 Cb 0.55 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.23 0.00 0.00 -0.78 -0.04 -1.26 -2.67 135.00 129.02 2chs n PRO 51 Ca 0.14 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2chs n PRO 51 Cb 0.48 -1.00 0.05 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.42 2.20 -4.36 3.54 5.68 -1.26 -4.92 116.55 117.01 2chs n ASP 52 Ca 0.00 -1.60 -0.34 0.00 -0.50 0.00 0.00 54.79 52.34 2chs n ASP 52 Cb 0.00 0.17 -0.14 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.72 2.95 0.00 -2.12 1.43 -1.09 -4.88 118.68 113.26 2chs s LEU 53 Ca 0.18 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2chs s LEU 53 Cb 0.15 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2chs s LEU 53 CO 0.30 0.04 0.29 1.41 0.23 0.00 0.00 176.35 178.62 2chs n HIS 54 N 4.37 0.00 0.11 0.29 8.25 -1.26 -4.92 115.22 122.06 2chs n HIS 54 Ca -0.18 -0.04 -0.02 0.00 -0.26 0.00 0.00 57.72 57.22 2chs n HIS 54 Cb 0.51 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.68 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 0.70 -2.55 -1.41 0.00 -1.93 -3.47 119.26 110.60 2chs h ALA 55 Ca 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 54.91 54.34 2chs h ALA 55 Cb 0.56 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.11 2chs h ALA 55 CO 0.00 0.90 0.39 0.54 0.00 0.00 0.00 179.25 181.08 2chs s VAL 56 N -3.19 0.00 -0.02 0.00 0.11 -1.26 -4.75 120.40 111.30 2chs s VAL 56 Ca 0.00 -0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 58.50 2chs s VAL 56 Cb 0.11 -1.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2chs s VAL 56 CO 0.77 0.00 0.93 -0.36 -3.33 0.00 0.00 175.10 173.12 2chs s PHE 57 N -3.40 3.63 0.52 1.54 0.08 -1.26 -4.94 117.98 114.15 2chs s PHE 57 Ca 0.06 1.61 0.31 0.00 0.12 0.00 0.00 56.93 59.04 2chs s PHE 57 Cb -0.02 -3.07 1.45 0.00 -0.57 0.00 0.00 43.02 40.81 2chs s PHE 57 CO -0.06 -0.01 1.83 -1.35 -0.10 0.00 0.00 175.22 175.54 2chs h PRO 58 N 6.82 0.07 -0.37 0.24 0.11 -1.95 -2.41 132.00 134.50 2chs h PRO 58 Ca -0.40 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.81 2chs h PRO 58 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2chs h PRO 58 CO 0.76 0.05 0.42 0.00 -0.21 0.00 0.00 178.00 179.01 2chs h ALA 59 N 1.50 2.05 0.00 -0.75 0.00 -1.94 -0.93 119.26 119.19 2chs h ALA 59 Ca 0.51 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 2chs h ALA 59 Cb 1.91 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2chs h ALA 59 CO -0.05 -0.61 -0.18 -0.22 0.00 0.00 0.00 179.25 178.18 2chs h LYS 60 N 0.00 0.00 -0.81 0.00 3.64 -1.85 -1.73 116.57 115.82 2chs h LYS 60 Ca 0.18 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.64 2chs h LYS 60 Cb 1.01 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 2chs h LYS 60 CO -0.00 0.18 0.53 0.00 -2.27 0.00 0.00 179.45 177.89 2chs h ALA 61 N 1.82 1.70 0.00 5.00 0.00 -1.39 -1.69 119.26 124.70 2chs h ALA 61 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2chs h ALA 61 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2chs h ALA 61 CO 0.02 0.14 -0.00 0.28 0.00 0.00 0.00 179.25 179.69 2chs h VAL 62 N 0.79 0.30 0.00 0.00 2.07 -1.50 -0.97 116.25 116.95 2chs h VAL 62 Ca 0.36 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.87 2chs h VAL 62 Cb 0.38 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2chs h VAL 62 CO -0.14 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.99 2chs n ARG 63 N -3.51 0.97 -0.31 1.57 5.12 -0.63 -1.90 116.66 117.96 2chs n ARG 63 Ca -0.03 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 55.97 2chs n ARG 63 Cb 0.08 -1.49 0.24 0.00 -1.16 0.00 0.00 32.46 30.13 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 -0.99 2.95 -3.70 5.56 1.02 -0.37 -4.89 120.64 120.22 2chs n GLU 64 Ca 0.23 -2.40 -0.38 0.00 -0.02 0.00 0.00 57.16 54.59 2chs n GLU 64 Cb 0.11 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 29.92 2chs n GLU 64 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2chs s LEU 65 N -1.26 4.01 0.24 -4.62 1.43 -0.80 -5.04 118.68 112.64 2chs s LEU 65 Ca 0.36 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 2chs s LEU 65 Cb 0.20 -1.96 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 2chs s LEU 65 CO 0.21 -0.19 1.51 -0.44 0.23 0.00 0.00 176.35 177.67 2chs s SER 66 N 1.57 6.57 0.00 2.29 0.01 -1.26 -1.77 113.70 121.11 2chs s SER 66 Ca 0.04 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.03 2chs s SER 66 Cb -0.17 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.44 2chs s SER 66 CO 0.05 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2chs n GLY 67 N 2.52 1.73 1.67 3.44 0.00 -1.26 -4.89 105.19 108.39 2chs n GLY 67 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 1.69 0.25 1.61 7.02 -0.73 -4.49 117.44 120.80 2chs n TRP 68 Ca 0.00 -0.62 0.09 0.00 -1.02 0.00 0.00 57.50 55.95 2chs n TRP 68 Cb 0.00 -0.37 0.66 0.00 -2.42 0.00 0.00 31.31 29.19 2chs n TRP 68 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 2chs h GLN 69 N 3.79 0.00 -0.49 -0.99 5.75 -1.86 -2.76 115.11 118.56 2chs h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2chs h GLN 69 Cb 1.64 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.19 2chs h GLN 69 CO 0.35 0.09 0.00 0.66 -2.65 0.00 0.00 178.83 177.28 2chs n TYR 70 N -4.13 0.82 -2.57 3.99 4.01 -1.26 -4.95 117.16 113.07 2chs n TYR 70 Ca -0.03 -0.56 -0.43 0.00 -0.16 0.00 0.00 57.90 56.73 2chs n TYR 70 Cb 0.18 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.34 4.50 0.09 -0.72 1.01 -1.04 -5.02 120.40 117.87 2chs s VAL 71 Ca 0.37 1.78 -0.31 0.00 0.00 0.00 0.00 61.98 63.82 2chs s VAL 71 Cb 0.21 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 2chs s VAL 71 CO 0.21 -0.25 1.22 -2.84 0.00 0.00 0.00 175.10 173.44 2chs s PRO 72 N 3.45 4.43 0.01 2.72 0.02 -1.26 -4.96 135.00 139.41 2chs s PRO 72 Ca 0.48 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2chs s PRO 72 Cb -0.16 -3.32 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 2chs s PRO 72 CO 0.12 -0.26 -0.03 0.14 -0.33 0.00 0.00 177.00 176.64 2chs s VAL 73 N 0.91 0.15 0.09 3.83 -7.23 -1.26 -1.61 120.40 115.28 2chs s VAL 73 Ca 0.59 -0.61 -0.17 0.00 -1.81 0.00 0.00 61.98 59.98 2chs s VAL 73 Cb -0.31 -0.23 0.04 0.00 0.56 0.00 0.00 36.38 36.44 2chs s VAL 73 CO 0.30 -0.29 0.41 0.28 -0.31 0.00 0.00 175.10 175.49 2chs s THR 74 N -0.92 0.06 0.31 5.32 -1.32 -1.01 -5.00 115.64 113.09 2chs s THR 74 Ca -0.09 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 59.96 2chs s THR 74 Cb -0.06 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 2chs s THR 74 CO -0.00 -0.28 0.12 0.00 -2.21 0.00 0.00 174.62 172.24 2chs s MET 76 N -3.81 1.36 -0.04 0.00 0.23 -0.65 -4.90 119.30 111.50 2chs s MET 76 Ca 0.36 -0.68 -0.20 0.00 -1.03 0.00 0.00 55.69 54.14 2chs s MET 76 Cb -0.04 0.56 -0.05 0.00 -1.53 0.00 0.00 34.83 33.77 2chs s MET 76 CO 0.22 -0.59 0.57 -1.14 -2.03 0.00 0.00 175.02 172.05 2chs s GLN 77 N -3.81 4.32 0.56 3.16 0.74 -1.26 -2.49 119.66 120.87 2chs s GLN 77 Ca 0.05 0.67 -0.18 0.00 0.05 0.00 0.00 55.36 55.94 2chs s GLN 77 Cb -0.01 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 2chs s GLN 77 CO -0.07 0.29 1.09 -2.00 -0.55 0.00 0.00 175.29 174.05 2chs s GLU 78 N 0.09 3.36 0.46 1.67 2.56 -0.42 -4.87 118.70 121.55 2chs s GLU 78 Ca 0.30 1.41 -0.23 0.00 0.00 0.00 0.00 54.97 56.46 2chs s GLU 78 Cb -0.17 -2.02 -0.08 0.00 2.00 0.00 0.00 34.13 33.86 2chs s GLU 78 CO 0.15 -0.81 1.15 0.00 -0.56 0.00 0.00 175.26 175.20 2chs s MET 79 N -3.60 3.79 -0.66 4.30 0.23 -1.26 -4.54 119.30 117.56 2chs s MET 79 Ca 0.68 1.74 -0.23 0.00 -1.03 0.00 0.00 55.69 56.86 2chs s MET 79 Cb -0.19 -2.41 0.06 0.00 -1.53 0.00 0.00 34.83 30.76 2chs s MET 79 CO 0.30 -0.52 0.99 0.34 -2.03 0.00 0.00 175.02 174.10 2chs s ASP 80 N -1.39 6.19 -0.11 -1.18 2.15 -1.26 -4.94 116.67 116.13 2chs s ASP 80 Ca 0.63 -0.88 -0.03 0.00 0.43 0.00 0.00 52.55 52.70 2chs s ASP 80 Cb -0.28 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 39.88 2chs s ASP 80 CO 0.34 -1.46 0.03 -0.69 -0.17 0.00 0.00 175.17 173.22 2chs s VAL 81 N 4.20 4.50 0.15 1.11 1.01 -1.26 -5.07 120.40 125.04 2chs s VAL 81 Ca 0.24 -0.17 -0.32 0.00 0.00 0.00 0.00 61.98 61.73 2chs s VAL 81 Cb -0.16 -2.93 -0.12 0.00 0.00 0.00 0.00 36.38 33.18 2chs s VAL 81 CO 0.11 0.58 1.74 0.41 0.00 0.00 0.00 175.10 177.94 2chs n THR 82 N 2.39 0.16 -0.96 3.92 -1.04 -1.26 -1.75 114.28 115.74 2chs n THR 82 Ca -0.18 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2chs n THR 82 Cb 0.54 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 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 3.95 0.55 3.75 3.41 0.00 -1.26 -5.01 105.19 110.57 2chs n GLY 83 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 1.90 -0.00 -0.02 0.00 -0.72 -4.93 107.32 101.55 2chs s GLY 84 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.89 2chs s GLY 84 CO 0.00 0.83 1.79 -2.27 0.00 0.00 0.00 173.10 173.45 2chs s LEU 85 N -5.61 4.37 0.59 0.66 2.96 -1.26 -4.97 118.68 115.43 2chs s LEU 85 Ca 0.65 2.45 -0.18 0.00 -0.22 0.00 0.00 54.13 56.84 2chs s LEU 85 Cb -0.20 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 2chs s LEU 85 CO 0.51 -0.98 1.12 -0.54 -1.32 0.00 0.00 176.35 175.14 2chs s LYS 86 N 4.08 3.12 -1.54 1.98 1.02 -1.26 -4.11 119.74 123.03 2chs s LYS 86 Ca 0.80 1.52 -0.11 0.00 0.02 0.00 0.00 55.97 58.21 2chs s LYS 86 Cb -0.38 -1.98 0.08 0.00 -0.52 0.00 0.00 37.83 35.03 2chs s LYS 86 CO 0.35 -1.02 0.76 1.63 -0.92 0.00 0.00 175.35 176.15 2chs n LYS 87 N -1.77 -4.18 -4.08 1.68 5.02 -1.26 -4.82 118.16 108.76 2chs n LYS 87 Ca 0.11 0.48 -0.35 0.00 -2.02 0.00 0.00 58.31 56.53 2chs n LYS 87 Cb 0.51 -5.11 -0.09 0.00 -0.02 0.00 0.00 35.03 30.33 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 -0.27 2.74 0.07 0.00 1.01 -0.71 -1.48 121.20 122.56 2chs s ILE 89 Ca 0.08 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2chs s ILE 89 Cb -0.12 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 2chs s ILE 89 CO 0.01 0.54 -0.17 -0.13 0.00 0.00 0.00 174.94 175.19 2chs s ARG 90 N 0.23 1.02 0.06 2.79 0.52 -0.33 -1.86 118.95 121.39 2chs s ARG 90 Ca -0.11 -1.00 0.07 0.00 -0.52 0.00 0.00 55.73 54.17 2chs s ARG 90 Cb -0.16 -1.14 -0.03 0.00 0.52 0.00 0.00 34.95 34.14 2chs s ARG 90 CO 0.06 0.27 -0.19 0.54 0.02 0.00 0.00 175.30 176.00 2chs s VAL 91 N -1.10 1.54 -0.30 3.52 0.11 -0.13 -0.60 120.40 123.44 2chs s VAL 91 Ca 0.03 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 2chs s VAL 91 Cb -0.09 -1.37 0.09 0.00 -1.53 0.00 0.00 36.38 33.47 2chs s VAL 91 CO 0.03 0.05 0.07 -0.32 -3.33 0.00 0.00 175.10 171.59 2chs s MET 92 N -1.45 0.94 -0.23 1.54 1.75 0.18 -2.57 119.30 119.45 2chs s MET 92 Ca 0.05 -1.15 -0.10 0.00 -1.25 0.00 0.00 55.69 53.24 2chs s MET 92 Cb -0.09 -2.27 -0.05 0.00 2.84 0.00 0.00 34.83 35.26 2chs s MET 92 CO 0.03 -0.91 0.15 1.41 -0.65 0.00 0.00 175.02 175.05 2chs s MET 93 N 1.49 4.10 -0.26 4.11 1.75 0.17 -1.10 119.30 129.56 2chs s MET 93 Ca 0.07 -0.26 -0.10 0.00 -1.25 0.00 0.00 55.69 54.16 2chs s MET 93 Cb -0.18 -3.51 -0.05 0.00 2.84 0.00 0.00 34.83 33.94 2chs s MET 93 CO -0.19 0.12 0.15 0.99 -0.65 0.00 0.00 175.02 175.43 2chs s THR 94 N 0.90 5.09 -0.02 10.11 2.01 -0.39 0.10 115.64 133.43 2chs s THR 94 Ca 0.08 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.19 2chs s THR 94 Cb -0.13 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 2chs s THR 94 CO 0.03 0.31 -0.09 0.68 -0.69 0.00 0.00 174.62 174.86 2chs s VAL 95 N 1.43 0.78 -0.03 3.82 -7.23 0.53 -0.24 120.40 119.46 2chs s VAL 95 Ca 0.07 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 2chs s VAL 95 Cb -0.15 -0.67 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 2chs s VAL 95 CO 0.07 0.23 1.64 -1.58 -0.31 0.00 0.00 175.10 175.15 2chs s GLN 96 N -0.01 4.19 0.00 4.82 0.74 0.62 -1.03 119.66 128.99 2chs s GLN 96 Ca 0.00 2.20 -0.16 0.00 0.05 0.00 0.00 55.36 57.45 2chs s GLN 96 Cb -0.06 -3.88 0.03 0.00 1.10 0.00 0.00 33.01 30.19 2chs s GLN 96 CO 0.00 -0.80 0.35 -0.08 -0.55 0.00 0.00 175.29 174.20 2chs s THR 97 N 3.65 0.06 -1.51 -0.34 -1.32 0.13 -4.93 115.64 111.37 2chs s THR 97 Ca 0.73 -0.49 0.22 0.00 -1.21 0.00 0.00 61.69 60.94 2chs s THR 97 Cb -0.34 -0.76 -0.10 0.00 -1.51 0.00 0.00 72.50 69.79 2chs s THR 97 CO 0.30 -0.27 1.04 0.47 -2.21 0.00 0.00 174.62 173.95 2chs n ASP 98 N 0.99 1.46 -4.75 8.08 8.00 -1.26 -1.67 116.55 127.40 2chs n ASP 98 Ca -0.20 -1.21 -0.41 0.00 0.71 0.00 0.00 54.79 53.67 2chs n ASP 98 Cb 0.57 0.69 -0.02 0.00 -0.02 0.00 0.00 41.12 42.35 2chs n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2chs s VAL 99 N -2.74 2.19 0.53 2.53 1.01 -1.26 -4.96 120.40 117.70 2chs s VAL 99 Ca 0.14 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.06 2chs s VAL 99 Cb 0.17 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.39 2chs s VAL 99 CO 0.71 0.02 1.23 -2.65 0.00 0.00 0.00 175.10 174.42 2chs n PRO 100 N 2.32 1.52 -0.29 2.72 -0.02 -1.26 -4.86 135.00 135.13 2chs n PRO 100 Ca 0.08 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 2chs n PRO 100 Cb 0.38 -2.42 0.22 0.00 -0.02 0.00 0.00 33.50 31.67 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 1.32 0.55 0.00 -0.52 4.15 -1.98 0.98 115.11 119.61 2chs h GLN 101 Ca -0.49 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2chs h GLN 101 Cb 1.32 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2chs h GLN 101 CO 0.56 0.37 0.00 -0.40 -1.93 0.00 0.00 178.83 177.43 2chs n ASP 102 N -4.91 0.00 -0.55 -0.69 5.75 -1.26 -2.30 116.55 112.59 2chs n ASP 102 Ca 0.17 0.44 0.06 0.00 -0.01 0.00 0.00 54.79 55.45 2chs n ASP 102 Cb 0.45 -0.47 0.08 0.00 -1.03 0.00 0.00 41.12 40.15 2chs n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2chs n GLN 103 N -1.47 1.27 -2.21 0.11 6.02 0.31 -5.02 117.38 116.38 2chs n GLN 103 Ca 0.05 -1.46 -0.37 0.00 -0.01 0.00 0.00 57.00 55.22 2chs n GLN 103 Cb 0.23 -1.25 -0.00 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.02 3.02 -0.42 5.09 -1.09 -0.97 -4.92 121.20 120.89 2chs s ILE 104 Ca 0.17 0.72 -0.10 0.00 -2.23 0.00 0.00 60.65 59.21 2chs s ILE 104 Cb 0.11 -3.34 0.07 0.00 -1.58 0.00 0.00 42.46 37.72 2chs s ILE 104 CO 0.16 -0.06 0.27 -0.13 -1.23 0.00 0.00 174.94 173.96 2chs s ARG 105 N -2.91 2.66 0.12 2.79 0.52 -1.26 -5.07 118.95 115.80 2chs s ARG 105 Ca 0.68 -1.42 -0.17 0.00 -0.52 0.00 0.00 55.73 54.29 2chs s ARG 105 Cb -0.28 -3.82 -0.07 0.00 0.52 0.00 0.00 34.95 31.30 2chs s ARG 105 CO 0.33 -0.95 0.57 -1.01 0.02 0.00 0.00 175.30 174.27 2chs s HIS 106 N 1.46 3.69 -0.07 -0.53 3.76 -1.26 -4.75 115.29 117.59 2chs s HIS 106 Ca 0.03 1.18 0.03 0.00 -0.15 0.00 0.00 55.06 56.15 2chs s HIS 106 Cb -0.23 -2.44 0.01 0.00 1.11 0.00 0.00 32.58 31.02 2chs s HIS 106 CO 0.03 0.48 -0.16 0.08 -0.85 0.00 0.00 174.74 174.33 2chs s VAL 107 N -1.33 1.38 -0.08 -0.90 1.01 -0.66 -4.99 120.40 114.83 2chs s VAL 107 Ca 0.35 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2chs s VAL 107 Cb -0.17 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.01 2chs s VAL 107 CO 0.19 0.41 -0.02 -0.31 0.00 0.00 0.00 175.10 175.37 2chs s TYR 108 N 0.45 0.89 0.35 5.22 2.02 -1.26 -1.11 117.35 123.92 2chs s TYR 108 Ca -0.13 -0.32 0.06 0.00 -0.37 0.00 0.00 57.07 56.30 2chs s TYR 108 Cb -0.15 -0.91 -0.07 0.00 -0.40 0.00 0.00 41.96 40.43 2chs s TYR 108 CO 0.04 -0.37 0.02 -0.51 -1.57 0.00 0.00 175.55 173.16 2chs s LEU 109 N 1.84 2.50 0.00 -1.29 1.43 -0.17 -4.61 118.68 118.39 2chs s LEU 109 Ca 0.04 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.80 2chs s LEU 109 Cb -0.12 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2chs s LEU 109 CO -0.06 -0.50 0.00 -0.62 0.23 0.00 0.00 176.35 175.40 2chs n GLU 110 N -0.78 0.00 0.23 1.70 -0.58 -1.26 -1.80 120.64 118.15 2chs n GLU 110 Ca -0.04 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.85 2chs n GLU 110 Cb 0.66 0.00 0.52 0.00 -0.57 0.00 0.00 31.44 32.05 2chs n GLU 110 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2chs h LYS 111 N 0.00 0.00 0.00 3.49 1.57 -1.93 -3.14 116.57 116.56 2chs h LYS 111 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2chs h LYS 111 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2chs h LYS 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2chs n ALA 112 N -2.01 2.13 0.69 3.86 0.00 -0.74 -2.82 120.51 121.62 2chs n ALA 112 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2chs n ALA 112 Cb 0.35 -1.13 0.36 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.71 0.50 0.31 0.00 0.24 -1.19 -2.22 118.33 115.26 2chs n VAL 113 Ca 0.06 0.13 -0.05 0.00 -2.04 0.00 0.00 64.34 62.43 2chs n VAL 113 Cb 0.03 -0.90 0.08 0.00 -1.47 0.00 0.00 33.84 31.57 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 -1.23 1.49 -0.46 3.34 3.14 -1.13 -5.07 118.33 118.42 2chs n VAL 114 Ca 0.07 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 2chs n VAL 114 Cb 0.10 -0.72 0.00 0.00 -1.06 0.00 0.00 33.84 32.16 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55