#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 1.24 0.03 1.12 -4.36 -1.26 -0.91 121.20 117.07 2chs s ILE 3 Ca 0.00 -0.86 -0.01 0.00 -0.26 0.00 0.00 60.65 59.51 2chs s ILE 3 Cb 0.00 -1.07 -0.03 0.00 1.25 0.00 0.00 42.46 42.61 2chs s ILE 3 CO 0.00 0.20 -0.01 -0.13 0.24 0.00 0.00 174.94 175.24 2chs s ARG 4 N -0.77 0.46 0.13 0.37 0.52 0.28 -4.89 118.95 115.04 2chs s ARG 4 Ca 0.05 -0.84 -0.25 0.00 -0.52 0.00 0.00 55.73 54.16 2chs s ARG 4 Cb -0.07 0.16 -0.07 0.00 0.52 0.00 0.00 34.95 35.49 2chs s ARG 4 CO 0.00 -0.09 0.76 0.20 0.02 0.00 0.00 175.30 176.20 2chs s GLY 5 N -2.07 2.88 -0.22 -3.53 0.00 -1.26 -1.14 107.32 101.97 2chs s GLY 5 Ca -0.06 0.32 0.01 0.00 0.00 0.00 0.00 44.72 45.00 2chs s GLY 5 CO -0.05 0.91 -0.14 -0.42 0.00 0.00 0.00 173.10 173.40 2chs s ILE 6 N -0.85 2.22 0.41 0.90 1.01 0.27 -4.97 121.20 120.19 2chs s ILE 6 Ca 0.36 -1.25 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 2chs s ILE 6 Cb -0.22 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.03 2chs s ILE 6 CO 0.25 0.25 0.87 -0.13 0.00 0.00 0.00 174.94 176.18 2chs s ARG 7 N 1.21 4.07 0.04 2.79 1.81 -1.26 -1.98 118.95 125.62 2chs s ARG 7 Ca -0.02 0.88 -0.19 0.00 -1.72 0.00 0.00 55.73 54.68 2chs s ARG 7 Cb -0.17 -2.27 0.04 0.00 -0.45 0.00 0.00 34.95 32.10 2chs s ARG 7 CO -0.08 -0.01 0.44 0.20 -0.68 0.00 0.00 175.30 175.16 2chs s GLY 8 N -2.45 -0.31 -0.02 -3.53 0.00 -1.01 -1.16 107.32 98.82 2chs s GLY 8 Ca 0.58 0.41 -0.16 0.00 0.00 0.00 0.00 44.72 45.55 2chs s GLY 8 CO 0.19 0.14 0.34 0.00 0.00 0.00 0.00 173.10 173.77 2chs s ALA 9 N -2.37 -0.87 0.19 3.20 0.00 -0.36 -1.46 121.76 120.10 2chs s ALA 9 Ca -0.06 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.21 2chs s ALA 9 Cb -0.01 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2chs s ALA 9 CO -0.01 -0.26 0.40 -0.08 0.00 0.00 0.00 175.76 175.80 2chs s THR 10 N -1.24 0.04 0.16 0.00 -1.32 -0.23 -1.82 115.64 111.22 2chs s THR 10 Ca -0.13 -1.21 0.07 0.00 -1.21 0.00 0.00 61.69 59.21 2chs s THR 10 Cb -0.05 -1.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.06 2chs s THR 10 CO 0.05 -0.17 -0.14 0.42 -2.21 0.00 0.00 174.62 172.56 2chs s THR 11 N -3.95 1.51 0.14 5.08 -4.23 -1.26 -0.19 115.64 112.74 2chs s THR 11 Ca 0.16 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 58.81 2chs s THR 11 Cb 0.01 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 2chs s THR 11 CO 0.01 -0.51 -0.22 0.68 -0.54 0.00 0.00 174.62 174.05 2chs s VAL 12 N -2.56 1.95 0.09 2.29 -7.23 -0.32 -4.78 120.40 109.83 2chs s VAL 12 Ca 0.15 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 2chs s VAL 12 Cb -0.03 -1.81 -0.24 0.00 0.56 0.00 0.00 36.38 34.86 2chs s VAL 12 CO 0.04 -0.10 1.17 -0.33 -0.31 0.00 0.00 175.10 175.57 2chs h GLU 13 N 3.69 0.11 -4.23 4.82 4.39 -1.95 -3.45 114.58 117.96 2chs h GLU 13 Ca -0.46 -0.19 -0.36 0.00 0.34 0.00 0.00 59.36 58.69 2chs h GLU 13 Cb 1.19 0.07 -0.31 0.00 -0.10 0.00 0.00 28.75 29.60 2chs h GLU 13 CO 0.44 1.06 -0.76 1.03 -1.16 0.00 0.00 179.01 179.61 2chs s ARG 14 N -2.68 0.60 -1.38 2.33 0.52 -1.26 -5.05 118.95 112.03 2chs s ARG 14 Ca -0.02 -0.16 -0.15 0.00 -0.52 0.00 0.00 55.73 54.88 2chs s ARG 14 Cb 0.09 -0.60 0.06 0.00 0.52 0.00 0.00 34.95 35.02 2chs s ARG 14 CO 0.84 0.04 1.98 -3.47 0.02 0.00 0.00 175.30 174.72 2chs n ASP 15 N 3.39 4.42 -4.27 0.23 2.03 -1.26 -4.57 116.55 116.52 2chs n ASP 15 Ca -0.18 -2.89 -0.23 0.00 0.52 0.00 0.00 54.79 52.00 2chs n ASP 15 Cb 0.55 -1.68 -0.12 0.00 -0.72 0.00 0.00 41.12 39.14 2chs n ASP 15 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2chs s THR 16 N 3.43 1.64 0.21 5.18 -1.32 -1.26 -4.60 115.64 118.92 2chs s THR 16 Ca 0.49 -1.54 -0.10 0.00 -1.21 0.00 0.00 61.69 59.33 2chs s THR 16 Cb 0.09 -1.51 0.17 0.00 -1.51 0.00 0.00 72.50 69.74 2chs s THR 16 CO -0.01 -0.10 1.69 -0.08 -2.21 0.00 0.00 174.62 173.91 2chs h GLU 17 N 4.05 0.19 -0.67 7.08 4.81 -1.90 -0.71 114.58 127.43 2chs h GLU 17 Ca -0.45 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 2chs h GLU 17 Cb 1.18 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2chs h GLU 17 CO 0.40 0.13 0.16 1.49 -0.73 0.00 0.00 179.01 180.46 2chs h GLU 18 N 0.20 1.06 -0.17 1.92 4.22 -1.96 -1.96 114.58 117.89 2chs h GLU 18 Ca 0.32 -0.24 -0.07 0.00 0.08 0.00 0.00 59.36 59.44 2chs h GLU 18 Cb 0.49 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2chs h GLU 18 CO -0.45 0.94 -0.17 1.49 -2.18 0.00 0.00 179.01 178.64 2chs h GLU 19 N 1.01 0.42 0.01 1.92 4.57 -1.77 -2.29 114.58 118.45 2chs h GLU 19 Ca 0.21 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2chs h GLU 19 Cb 0.35 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2chs h GLU 19 CO 0.00 0.79 -0.01 0.82 -1.18 0.00 0.00 179.01 179.43 2chs h ILE 20 N 0.07 1.03 0.00 2.32 2.04 -0.93 -1.80 117.51 120.24 2chs h ILE 20 Ca 0.03 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 2chs h ILE 20 Cb 0.71 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2chs h ILE 20 CO 0.04 0.03 -0.31 -0.07 0.00 0.00 0.00 178.15 177.85 2chs h LEU 21 N -0.07 0.00 -0.02 1.44 3.38 -1.44 -0.44 115.31 118.16 2chs h LEU 21 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2chs h LEU 21 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2chs h LEU 21 CO 0.00 0.31 -0.19 -0.61 0.09 0.00 0.00 178.44 178.04 2chs h GLN 22 N 0.00 0.16 -0.70 1.13 4.15 -1.01 -1.16 115.11 117.68 2chs h GLN 22 Ca -0.00 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 2chs h GLN 22 Cb 0.65 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 2chs h GLN 22 CO 0.04 0.85 0.30 0.87 -1.93 0.00 0.00 178.83 178.96 2chs h LYS 23 N -0.47 1.03 -0.09 1.69 1.79 -1.24 -1.84 116.57 117.45 2chs h LYS 23 Ca -0.02 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 2chs h LYS 23 Cb 0.90 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2chs h LYS 23 CO 0.04 0.84 0.03 1.15 -1.08 0.00 0.00 179.45 180.43 2chs h THR 24 N 0.99 1.17 -0.72 -0.16 2.02 -1.10 -0.31 112.91 114.80 2chs h THR 24 Ca 0.24 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2chs h THR 24 Cb 0.18 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2chs h THR 24 CO -0.02 0.14 0.42 0.50 0.37 0.00 0.00 175.52 176.93 2chs h LYS 25 N -0.04 0.98 -0.61 6.66 3.64 -1.11 -1.19 116.57 124.88 2chs h LYS 25 Ca 0.03 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 2chs h LYS 25 Cb 0.20 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2chs h LYS 25 CO -0.00 0.70 0.22 1.96 -2.27 0.00 0.00 179.45 180.06 2chs h GLN 26 N 0.98 0.91 0.13 1.90 4.20 -1.10 -0.22 115.11 121.92 2chs h GLN 26 Ca 0.26 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2chs h GLN 26 Cb -0.02 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.62 2chs h GLN 26 CO -0.05 0.77 -0.06 1.25 -0.67 0.00 0.00 178.83 180.07 2chs h LEU 27 N 0.89 -0.15 -0.35 1.46 5.85 -0.49 -2.75 115.31 119.77 2chs h LEU 27 Ca 0.21 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2chs h LEU 27 Cb 0.22 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2chs h LEU 27 CO -0.01 0.10 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.08 2chs h LEU 28 N -0.40 -0.21 -0.89 2.25 3.38 -1.07 -1.68 115.31 116.69 2chs h LEU 28 Ca -0.02 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.18 2chs h LEU 28 Cb 0.32 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 2chs h LEU 28 CO 0.03 -0.07 0.49 -0.33 0.09 0.00 0.00 178.44 178.65 2chs h GLU 29 N 0.06 0.70 -0.07 1.13 5.08 -0.96 -1.53 114.58 119.00 2chs h GLU 29 Ca 0.17 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 2chs h GLU 29 Cb 0.24 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2chs h GLU 29 CO -0.31 0.46 -0.63 -0.22 -1.00 0.00 0.00 179.01 177.31 2chs h LYS 30 N 0.72 0.26 -0.36 2.33 1.63 -1.04 -0.03 116.57 120.09 2chs h LYS 30 Ca 0.47 -0.19 -0.09 0.00 -0.85 0.00 0.00 60.65 60.00 2chs h LYS 30 Cb 0.61 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 2chs h LYS 30 CO -0.33 0.80 -0.12 0.82 -3.45 0.00 0.00 179.45 177.18 2chs h ILE 31 N 0.19 1.28 0.07 2.00 2.04 -0.48 -1.22 117.51 121.39 2chs h ILE 31 Ca -0.01 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 2chs h ILE 31 Cb 1.15 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2chs h ILE 31 CO 0.10 0.40 -0.03 0.40 0.00 0.00 0.00 178.15 179.01 2chs h ILE 32 N 0.50 0.96 -0.15 -0.67 2.04 -1.10 -0.97 117.51 118.12 2chs h ILE 32 Ca 0.09 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2chs h ILE 32 Cb 0.64 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2chs h ILE 32 CO 0.04 0.02 -0.02 -0.08 0.00 0.00 0.00 178.15 178.11 2chs h GLU 33 N -0.12 0.02 0.00 2.37 4.81 -1.01 0.29 114.58 120.94 2chs h GLU 33 Ca -0.01 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2chs h GLU 33 Cb 0.10 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2chs h GLU 33 CO 0.01 0.01 -0.24 0.93 -0.73 0.00 0.00 179.01 179.00 2chs h GLU 34 N 0.02 0.00 -0.03 1.92 4.39 -1.11 -3.27 114.58 116.50 2chs h GLU 34 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2chs h GLU 34 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2chs h GLU 34 CO -0.13 0.24 0.00 0.09 -1.16 0.00 0.00 179.01 178.04 2chs n ASN 35 N -3.68 1.69 -3.54 1.42 3.02 -0.38 -4.78 115.26 109.00 2chs n ASN 35 Ca -0.01 -1.58 -0.20 0.00 -0.03 0.00 0.00 54.58 52.75 2chs n ASN 35 Cb 0.36 -0.02 0.08 0.00 -0.61 0.00 0.00 39.78 39.58 2chs n ASN 35 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2chs n HIS 36 N -0.16 -2.37 -2.94 3.10 -0.00 0.10 -4.94 115.22 108.01 2chs n HIS 36 Ca 0.01 0.95 -0.40 0.00 -0.00 0.00 0.00 57.72 58.28 2chs n HIS 36 Cb 0.17 -4.93 -0.05 0.00 -0.00 0.00 0.00 29.99 25.18 2chs n HIS 36 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2chs s THR 37 N -3.38 4.67 -0.10 3.57 2.01 -1.07 -5.05 115.64 116.29 2chs s THR 37 Ca 0.21 1.71 -0.02 0.00 0.31 0.00 0.00 61.69 63.90 2chs s THR 37 Cb -0.10 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2chs s THR 37 CO 0.75 0.36 0.00 -0.54 -0.69 0.00 0.00 174.62 174.50 2chs s LYS 38 N -0.10 3.13 0.60 4.92 -0.14 -1.26 -4.94 119.74 121.95 2chs s LYS 38 Ca 0.40 -0.41 0.29 0.00 -1.36 0.00 0.00 55.97 54.89 2chs s LYS 38 Cb -0.21 -2.84 1.59 0.00 -1.68 0.00 0.00 37.83 34.69 2chs s LYS 38 CO 0.24 0.62 2.01 -1.00 -0.76 0.00 0.00 175.35 176.47 2chs h PRO 39 N 5.43 0.00 0.00 -1.68 0.13 -1.97 -0.61 132.00 133.31 2chs h PRO 39 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2chs h PRO 39 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2chs h PRO 39 CO 0.56 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.48 2chs n GLU 40 N -3.69 0.22 0.02 0.86 0.00 -1.26 -2.32 120.64 114.46 2chs n GLU 40 Ca 0.04 0.26 0.12 0.00 0.00 0.00 0.00 57.16 57.58 2chs n GLU 40 Cb 0.46 -1.79 0.28 0.00 0.00 0.00 0.00 31.44 30.39 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 -2.18 0.50 -4.65 -1.84 8.00 -0.24 -4.85 116.55 111.29 2chs n ASP 41 Ca 0.05 -0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.11 2chs n ASP 41 Cb 0.36 0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.52 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 -3.05 4.89 0.01 2.53 1.01 -0.98 -0.51 120.40 124.30 2chs s VAL 42 Ca 0.10 1.47 -0.26 0.00 0.00 0.00 0.00 61.98 63.29 2chs s VAL 42 Cb 0.16 -4.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.31 2chs s VAL 42 CO 0.68 -0.01 1.22 0.58 0.00 0.00 0.00 175.10 177.57 2chs h VAL 43 N 5.33 0.50 -2.09 2.92 2.07 -1.10 -3.46 116.25 120.43 2chs h VAL 43 Ca -0.26 -0.49 0.21 0.00 0.82 0.00 0.00 66.70 66.98 2chs h VAL 43 Cb 1.11 0.71 -0.10 0.00 -1.52 0.00 0.00 31.29 31.49 2chs h VAL 43 CO 0.84 0.08 0.58 0.00 0.02 0.00 0.00 177.57 179.08 2chs s GLN 44 N -4.73 0.93 -0.00 1.57 -2.07 -1.25 -4.55 119.66 109.56 2chs s GLN 44 Ca -0.14 -0.49 0.03 0.00 -1.82 0.00 0.00 55.36 52.94 2chs s GLN 44 Cb 0.02 0.33 -0.01 0.00 -1.09 0.00 0.00 33.01 32.26 2chs s GLN 44 CO 0.51 -0.42 -0.09 1.41 -1.32 0.00 0.00 175.29 175.38 2chs s MET 45 N -3.03 0.73 -0.10 9.60 1.75 0.32 -1.85 119.30 126.73 2chs s MET 45 Ca 0.12 -0.37 0.03 0.00 -1.25 0.00 0.00 55.69 54.22 2chs s MET 45 Cb 0.00 -0.70 0.00 0.00 2.84 0.00 0.00 34.83 36.98 2chs s MET 45 CO -0.01 0.19 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.82 2chs s LEU 46 N -0.33 2.01 -0.05 4.11 1.43 -0.21 -1.76 118.68 123.88 2chs s LEU 46 Ca 0.03 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 2chs s LEU 46 Cb -0.04 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 2chs s LEU 46 CO -0.00 0.12 -0.24 -0.76 0.23 0.00 0.00 176.35 175.70 2chs s LEU 47 N 0.48 2.14 0.15 1.79 1.43 -0.35 -1.34 118.68 122.98 2chs s LEU 47 Ca -0.16 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 52.55 2chs s LEU 47 Cb -0.17 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2chs s LEU 47 CO 0.06 0.26 -0.19 -0.94 0.23 0.00 0.00 176.35 175.77 2chs s SER 48 N -0.26 2.73 0.01 2.29 1.04 -0.62 -1.02 113.70 117.88 2chs s SER 48 Ca -0.01 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.64 2chs s SER 48 Cb -0.13 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 2chs s SER 48 CO 0.03 0.00 -0.12 0.00 0.98 0.00 0.00 173.24 174.13 2chs s ALA 49 N -1.82 1.02 0.91 5.32 0.00 -1.07 -1.63 121.76 124.49 2chs s ALA 49 Ca 0.14 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 2chs s ALA 49 Cb -0.07 -0.20 0.14 0.00 0.00 0.00 0.00 23.12 22.99 2chs s ALA 49 CO 0.06 0.22 1.15 0.95 0.00 0.00 0.00 175.76 178.14 2chs s THR 50 N -0.54 2.06 -1.62 0.00 -4.23 -1.00 -0.71 115.64 109.59 2chs s THR 50 Ca 0.03 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2chs s THR 50 Cb -0.06 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2chs s THR 50 CO 0.00 -0.03 0.64 -0.81 -0.54 0.00 0.00 174.62 173.89 2chs n PRO 51 N -4.19 0.00 0.00 3.99 -0.04 -1.26 -2.76 135.00 130.74 2chs n PRO 51 Ca 0.12 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 2chs n PRO 51 Cb 0.52 -1.51 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.14 0.47 -4.64 3.54 5.68 -1.26 -4.86 116.55 114.34 2chs n ASP 52 Ca 0.00 -0.18 -0.36 0.00 -0.50 0.00 0.00 54.79 53.75 2chs n ASP 52 Cb 0.01 0.19 -0.10 0.00 -1.14 0.00 0.00 41.12 40.08 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 -3.04 3.97 0.00 -2.12 1.43 -1.11 -4.94 118.68 112.86 2chs s LEU 53 Ca 0.11 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2chs s LEU 53 Cb 0.17 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2chs s LEU 53 CO 0.69 0.10 0.38 1.41 0.23 0.00 0.00 176.35 179.16 2chs n HIS 54 N 4.05 0.00 -0.05 0.29 8.25 -1.26 -4.95 115.22 121.55 2chs n HIS 54 Ca -0.16 -0.06 -0.15 0.00 -0.26 0.00 0.00 57.72 57.10 2chs n HIS 54 Cb 0.52 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.55 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 0.27 -2.87 -1.41 0.00 -1.91 -3.47 119.26 109.86 2chs h ALA 55 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.46 2chs h ALA 55 Cb 0.32 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.95 2chs h ALA 55 CO 0.00 0.37 0.26 0.54 0.00 0.00 0.00 179.25 180.42 2chs s VAL 56 N -3.94 0.00 -0.15 0.00 0.11 -1.26 -4.70 120.40 110.47 2chs s VAL 56 Ca -0.13 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.55 2chs s VAL 56 Cb 0.06 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 2chs s VAL 56 CO 0.82 0.00 1.30 -0.36 -3.33 0.00 0.00 175.10 173.53 2chs s PHE 57 N -3.65 2.78 0.55 1.54 0.08 -1.26 -4.88 117.98 113.13 2chs s PHE 57 Ca 0.02 0.94 0.30 0.00 0.12 0.00 0.00 56.93 58.31 2chs s PHE 57 Cb -0.01 -3.54 1.46 0.00 -0.57 0.00 0.00 43.02 40.36 2chs s PHE 57 CO -0.11 -1.90 1.91 -1.35 -0.10 0.00 0.00 175.22 173.67 2chs h PRO 58 N 8.29 0.00 0.00 0.24 0.11 -1.96 -1.29 132.00 137.39 2chs h PRO 58 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2chs h PRO 58 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2chs h PRO 58 CO 0.96 0.00 0.10 0.00 -0.21 0.00 0.00 178.00 178.85 2chs h ALA 59 N 1.57 1.09 0.00 -0.75 0.00 -1.95 -1.51 119.26 117.71 2chs h ALA 59 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2chs h ALA 59 Cb 1.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2chs h ALA 59 CO -0.00 -0.09 -0.11 -0.22 0.00 0.00 0.00 179.25 178.83 2chs h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.63 -2.60 116.57 115.98 2chs h LYS 60 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2chs h LYS 60 Cb 0.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2chs h LYS 60 CO 0.00 0.11 -0.12 0.00 -2.27 0.00 0.00 179.45 177.17 2chs h ALA 61 N 1.89 0.97 -0.55 5.00 0.00 -1.50 -2.80 119.26 122.27 2chs h ALA 61 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2chs h ALA 61 Cb 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2chs h ALA 61 CO 0.01 0.15 0.14 0.28 0.00 0.00 0.00 179.25 179.83 2chs h VAL 62 N 0.00 1.23 0.00 0.00 2.07 -1.64 -2.21 116.25 115.69 2chs h VAL 62 Ca -0.00 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2chs h VAL 62 Cb 0.79 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2chs h VAL 62 CO 0.02 0.30 -0.01 0.03 0.02 0.00 0.00 177.57 177.93 2chs h ARG 63 N 0.81 0.00 -0.01 1.57 3.08 -1.61 -1.01 114.38 117.21 2chs h ARG 63 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2chs h ARG 63 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2chs h ARG 63 CO -0.00 0.01 -0.06 0.39 -1.07 0.00 0.00 179.97 179.24 2chs n GLU 64 N -3.16 1.35 -3.18 0.04 -0.58 -0.83 -4.77 120.64 109.51 2chs n GLU 64 Ca -0.02 -0.70 -0.40 0.00 -0.42 0.00 0.00 57.16 55.62 2chs n GLU 64 Cb 0.12 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.44 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 -2.13 4.06 0.15 -4.62 1.43 -0.39 -5.02 118.68 112.16 2chs s LEU 65 Ca 0.36 0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 53.74 2chs s LEU 65 Cb 0.21 -2.75 -0.09 0.00 0.03 0.00 0.00 46.19 43.59 2chs s LEU 65 CO 0.39 -0.33 1.51 -0.44 0.23 0.00 0.00 176.35 177.71 2chs s SER 66 N 1.52 6.66 0.00 2.29 0.01 -1.26 -2.17 113.70 120.75 2chs s SER 66 Ca 0.23 2.53 0.00 0.00 1.31 0.00 0.00 55.95 60.02 2chs s SER 66 Cb -0.16 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2chs s SER 66 CO 0.09 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2chs n GLY 67 N 3.63 2.00 1.78 3.44 0.00 -1.26 -4.92 105.19 109.85 2chs n GLY 67 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 1.89 1.80 1.61 7.02 -0.92 -4.46 117.44 122.38 2chs n TRP 68 Ca 0.00 -0.71 0.16 0.00 -1.02 0.00 0.00 57.50 55.93 2chs n TRP 68 Cb 0.00 -0.44 0.86 0.00 -2.42 0.00 0.00 31.31 29.32 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 0.71 0.87 -0.07 -0.99 0.00 -1.26 -2.45 117.38 114.19 2chs n GLN 69 Ca 0.27 -0.06 0.09 0.00 0.00 0.00 0.00 57.00 57.30 2chs n GLN 69 Cb 1.11 -1.50 0.12 0.00 0.00 0.00 0.00 30.24 29.97 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 -1.01 0.19 -2.72 2.61 4.01 -1.26 -4.95 117.16 114.02 2chs n TYR 70 Ca 0.21 -0.13 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 2chs n TYR 70 Cb 0.16 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.36 4.84 0.01 -0.72 1.01 -1.02 -5.01 120.40 118.15 2chs s VAL 71 Ca 0.25 2.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.93 2chs s VAL 71 Cb 0.16 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2chs s VAL 71 CO 0.23 0.08 1.28 -2.16 0.00 0.00 0.00 175.10 174.54 2chs s PRO 72 N 1.53 4.35 0.01 2.72 0.04 -1.26 -4.95 135.00 137.43 2chs s PRO 72 Ca 0.49 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.37 2chs s PRO 72 Cb -0.19 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 2chs s PRO 72 CO 0.22 -0.43 -0.03 0.14 0.04 0.00 0.00 177.00 176.94 2chs s VAL 73 N 1.82 0.20 0.11 -0.36 -7.23 -1.26 -0.52 120.40 113.17 2chs s VAL 73 Ca 0.60 -0.30 -0.09 0.00 -1.81 0.00 0.00 61.98 60.38 2chs s VAL 73 Cb -0.29 -0.21 -0.00 0.00 0.56 0.00 0.00 36.38 36.44 2chs s VAL 73 CO 0.26 -0.07 0.23 0.28 -0.31 0.00 0.00 175.10 175.50 2chs s THR 74 N -0.38 0.11 0.42 5.32 -1.32 -0.72 -4.97 115.64 114.11 2chs s THR 74 Ca -0.03 -1.19 0.07 0.00 -1.21 0.00 0.00 61.69 59.34 2chs s THR 74 Cb -0.03 -1.47 -0.05 0.00 -1.51 0.00 0.00 72.50 69.44 2chs s THR 74 CO -0.00 -0.52 0.16 0.00 -2.21 0.00 0.00 174.62 172.05 2chs s MET 76 N -3.89 1.55 -0.05 0.00 0.23 -0.19 -4.89 119.30 112.07 2chs s MET 76 Ca 0.39 -1.02 -0.18 0.00 -1.03 0.00 0.00 55.69 53.85 2chs s MET 76 Cb 0.04 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.83 2chs s MET 76 CO 0.22 -0.67 0.51 -1.14 -2.03 0.00 0.00 175.02 171.90 2chs s GLN 77 N -3.93 4.24 0.55 3.16 0.74 -1.26 -2.60 119.66 120.56 2chs s GLN 77 Ca 0.14 0.56 -0.18 0.00 0.05 0.00 0.00 55.36 55.92 2chs s GLN 77 Cb -0.02 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.67 2chs s GLN 77 CO 0.04 0.36 1.05 -2.00 -0.55 0.00 0.00 175.29 174.18 2chs s GLU 78 N -0.06 3.53 0.40 1.67 2.56 0.12 -4.85 118.70 122.06 2chs s GLU 78 Ca 0.27 1.27 -0.24 0.00 0.00 0.00 0.00 54.97 56.28 2chs s GLU 78 Cb -0.17 -2.06 -0.09 0.00 2.00 0.00 0.00 34.13 33.81 2chs s GLU 78 CO 0.14 -0.64 1.06 0.00 -0.56 0.00 0.00 175.26 175.25 2chs s MET 79 N -3.71 4.16 -0.56 4.30 0.23 -1.26 -4.25 119.30 118.21 2chs s MET 79 Ca 0.65 1.53 -0.25 0.00 -1.03 0.00 0.00 55.69 56.60 2chs s MET 79 Cb -0.16 -2.55 0.04 0.00 -1.53 0.00 0.00 34.83 30.63 2chs s MET 79 CO 0.29 -0.15 0.99 0.34 -2.03 0.00 0.00 175.02 174.46 2chs s ASP 80 N -1.53 6.35 -0.10 -1.18 2.15 -1.26 -4.91 116.67 116.18 2chs s ASP 80 Ca 0.58 -0.30 -0.04 0.00 0.43 0.00 0.00 52.55 53.21 2chs s ASP 80 Cb -0.23 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 2chs s ASP 80 CO 0.28 -1.28 0.08 -0.69 -0.17 0.00 0.00 175.17 173.39 2chs s VAL 81 N 4.14 4.94 0.01 1.11 1.01 -1.26 -5.05 120.40 125.30 2chs s VAL 81 Ca 0.32 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2chs s VAL 81 Cb -0.12 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.06 2chs s VAL 81 CO 0.20 0.60 1.78 -0.89 0.00 0.00 0.00 175.10 176.79 2chs s THR 82 N -0.98 3.20 0.00 3.92 2.01 -1.26 -0.76 115.64 121.78 2chs s THR 82 Ca 0.15 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.52 2chs s THR 82 Cb -0.12 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2chs s THR 82 CO 0.04 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2chs n GLY 83 N 4.26 0.70 3.78 4.40 0.00 -1.26 -5.03 105.19 112.03 2chs n GLY 83 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.93 1.87 0.22 -0.02 0.00 0.06 -4.96 107.32 102.57 2chs s GLY 84 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 44.72 44.76 2chs s GLY 84 CO 0.00 0.69 1.50 -2.27 0.00 0.00 0.00 173.10 173.02 2chs s LEU 85 N -5.42 4.38 0.24 0.66 2.96 -1.26 -5.00 118.68 115.23 2chs s LEU 85 Ca 0.63 2.67 0.01 0.00 -0.22 0.00 0.00 54.13 57.22 2chs s LEU 85 Cb -0.18 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2chs s LEU 85 CO 0.50 -0.76 0.42 -0.54 -1.32 0.00 0.00 176.35 174.65 2chs s LYS 86 N 0.15 3.50 -1.19 1.98 -0.14 -1.26 -4.50 119.74 118.28 2chs s LYS 86 Ca 0.63 -0.41 -0.26 0.00 -1.36 0.00 0.00 55.97 54.58 2chs s LYS 86 Cb -0.43 -2.80 0.01 0.00 -1.68 0.00 0.00 37.83 32.93 2chs s LYS 86 CO 0.39 0.34 0.73 1.63 -0.76 0.00 0.00 175.35 177.68 2chs n LYS 87 N -1.06 -0.88 -5.07 1.68 5.02 -1.26 -4.80 118.16 111.78 2chs n LYS 87 Ca -0.05 0.29 -0.29 0.00 -2.02 0.00 0.00 58.31 56.24 2chs n LYS 87 Cb 0.55 -3.47 -0.16 0.00 -0.02 0.00 0.00 35.03 31.92 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 -0.03 2.82 0.05 0.00 1.01 0.74 -2.39 121.20 123.41 2chs s ILE 89 Ca -0.05 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.84 2chs s ILE 89 Cb -0.13 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 2chs s ILE 89 CO 0.03 0.59 -0.13 -0.13 0.00 0.00 0.00 174.94 175.30 2chs s ARG 90 N -0.67 0.84 0.03 2.79 0.52 -0.64 -1.07 118.95 120.74 2chs s ARG 90 Ca 0.10 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.53 2chs s ARG 90 Cb -0.11 -0.83 -0.02 0.00 0.52 0.00 0.00 34.95 34.52 2chs s ARG 90 CO 0.00 0.19 -0.17 0.54 0.02 0.00 0.00 175.30 175.89 2chs s VAL 91 N -1.07 1.31 -0.30 3.52 0.11 -0.54 -1.59 120.40 121.84 2chs s VAL 91 Ca -0.01 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 2chs s VAL 91 Cb -0.09 -1.15 0.09 0.00 -1.53 0.00 0.00 36.38 33.70 2chs s VAL 91 CO 0.02 0.14 0.05 -0.32 -3.33 0.00 0.00 175.10 171.65 2chs s MET 92 N -1.00 1.15 -0.18 1.54 1.75 -0.45 -2.42 119.30 119.69 2chs s MET 92 Ca 0.04 -1.28 -0.06 0.00 -1.25 0.00 0.00 55.69 53.15 2chs s MET 92 Cb -0.08 -2.50 -0.03 0.00 2.84 0.00 0.00 34.83 35.05 2chs s MET 92 CO 0.01 -0.87 0.02 1.41 -0.65 0.00 0.00 175.02 174.94 2chs s MET 93 N 1.35 3.81 -0.23 4.11 1.75 -0.84 -1.05 119.30 128.21 2chs s MET 93 Ca 0.06 -0.43 -0.08 0.00 -1.25 0.00 0.00 55.69 53.98 2chs s MET 93 Cb -0.18 -3.12 -0.04 0.00 2.84 0.00 0.00 34.83 34.33 2chs s MET 93 CO -0.15 0.18 0.10 0.99 -0.65 0.00 0.00 175.02 175.50 2chs s THR 94 N 0.57 4.83 0.10 10.11 2.01 -0.77 -0.56 115.64 131.93 2chs s THR 94 Ca 0.01 -0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.06 2chs s THR 94 Cb -0.13 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 2chs s THR 94 CO 0.02 0.37 -0.14 0.68 -0.69 0.00 0.00 174.62 174.86 2chs s VAL 95 N 1.09 1.23 -0.14 3.82 -7.23 -0.29 -0.48 120.40 118.40 2chs s VAL 95 Ca 0.05 -1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 58.38 2chs s VAL 95 Cb -0.14 -1.35 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 2chs s VAL 95 CO 0.04 -0.34 1.16 -1.58 -0.31 0.00 0.00 175.10 174.07 2chs s GLN 96 N -2.29 4.30 0.03 4.82 -0.44 0.33 -0.56 119.66 125.85 2chs s GLN 96 Ca 0.04 1.56 -0.26 0.00 -2.50 0.00 0.00 55.36 54.21 2chs s GLN 96 Cb -0.07 -3.65 0.06 0.00 -1.64 0.00 0.00 33.01 27.71 2chs s GLN 96 CO 0.03 -0.57 0.59 -0.08 0.50 0.00 0.00 175.29 175.76 2chs s THR 97 N 2.88 0.01 -0.35 -0.34 -1.32 -0.09 -4.92 115.64 111.52 2chs s THR 97 Ca 0.52 -0.11 0.10 0.00 -1.21 0.00 0.00 61.69 60.99 2chs s THR 97 Cb -0.21 -0.98 0.25 0.00 -1.51 0.00 0.00 72.50 70.06 2chs s THR 97 CO 0.15 -0.06 1.19 0.47 -2.21 0.00 0.00 174.62 174.16 2chs n ASP 98 N 0.48 2.73 -4.72 8.08 9.92 -1.26 -1.14 116.55 130.63 2chs n ASP 98 Ca -0.18 -2.40 -0.42 0.00 -0.53 0.00 0.00 54.79 51.25 2chs n ASP 98 Cb 0.60 -0.26 -0.03 0.00 -0.64 0.00 0.00 41.12 40.79 2chs n ASP 98 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2chs s VAL 99 N -1.71 3.70 0.49 2.53 1.01 -1.26 -4.97 120.40 120.18 2chs s VAL 99 Ca 0.21 1.27 -0.23 0.00 0.00 0.00 0.00 61.98 63.24 2chs s VAL 99 Cb 0.16 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 2chs s VAL 99 CO 0.07 0.13 1.24 -2.65 0.00 0.00 0.00 175.10 173.89 2chs n PRO 100 N 3.51 1.66 -0.31 2.72 -0.02 -1.26 -4.81 135.00 136.49 2chs n PRO 100 Ca 0.08 0.60 0.19 0.00 -2.02 0.00 0.00 63.50 62.36 2chs n PRO 100 Cb 0.45 -2.40 0.46 0.00 -0.02 0.00 0.00 33.50 31.98 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 1.59 0.49 0.00 -0.52 4.15 -1.98 0.67 115.11 119.51 2chs h GLN 101 Ca -0.49 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.90 2chs h GLN 101 Cb 1.31 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.89 2chs h GLN 101 CO 0.57 0.32 0.00 -0.40 -1.93 0.00 0.00 178.83 177.40 2chs n ASP 102 N -4.64 0.00 -0.27 -0.69 5.68 -1.26 -3.43 116.55 111.94 2chs n ASP 102 Ca 0.23 -0.60 0.03 0.00 -0.50 0.00 0.00 54.79 53.95 2chs n ASP 102 Cb 0.74 -0.10 0.05 0.00 -1.14 0.00 0.00 41.12 40.67 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 -1.10 1.14 -2.02 0.11 6.02 0.22 -4.97 117.38 116.79 2chs n GLN 103 Ca 0.18 -1.25 -0.41 0.00 -0.01 0.00 0.00 57.00 55.51 2chs n GLN 103 Cb 0.14 -1.12 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 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 -0.70 2.69 -0.50 5.09 -1.09 -1.18 -4.95 121.20 120.56 2chs s ILE 104 Ca 0.09 0.57 -0.18 0.00 -2.23 0.00 0.00 60.65 58.90 2chs s ILE 104 Cb 0.05 -3.36 0.06 0.00 -1.58 0.00 0.00 42.46 37.63 2chs s ILE 104 CO 0.08 0.09 0.55 -0.13 -1.23 0.00 0.00 174.94 174.29 2chs s ARG 105 N -0.26 3.07 0.08 2.79 0.52 -1.26 -5.07 118.95 118.83 2chs s ARG 105 Ca 0.60 -1.05 -0.25 0.00 -0.52 0.00 0.00 55.73 54.51 2chs s ARG 105 Cb -0.42 -4.11 -0.06 0.00 0.52 0.00 0.00 34.95 30.88 2chs s ARG 105 CO 0.42 -1.16 0.76 -1.01 0.02 0.00 0.00 175.30 174.33 2chs s HIS 106 N 2.30 3.79 -0.15 -0.53 3.76 -1.26 -4.84 115.29 118.37 2chs s HIS 106 Ca 0.11 1.51 -0.05 0.00 -0.15 0.00 0.00 55.06 56.49 2chs s HIS 106 Cb -0.21 -2.79 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 2chs s HIS 106 CO 0.10 0.37 0.00 0.08 -0.85 0.00 0.00 174.74 174.44 2chs s VAL 107 N -0.45 4.29 -0.07 -0.90 1.01 -0.31 -4.96 120.40 119.00 2chs s VAL 107 Ca 0.37 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2chs s VAL 107 Cb -0.21 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2chs s VAL 107 CO 0.24 0.51 -0.10 -0.31 0.00 0.00 0.00 175.10 175.43 2chs s TYR 108 N 0.11 1.35 0.25 5.22 2.02 -1.26 -1.22 117.35 123.82 2chs s TYR 108 Ca 0.02 -0.53 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 2chs s TYR 108 Cb -0.13 -1.04 -0.05 0.00 -0.40 0.00 0.00 41.96 40.33 2chs s TYR 108 CO 0.02 -0.32 0.00 -0.51 -1.57 0.00 0.00 175.55 173.17 2chs s LEU 109 N 0.95 2.20 0.00 -1.29 1.43 -0.75 -4.49 118.68 116.73 2chs s LEU 109 Ca -0.09 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 2chs s LEU 109 Cb -0.15 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.75 2chs s LEU 109 CO 0.00 -0.52 0.00 -0.62 0.23 0.00 0.00 176.35 175.45 2chs n GLU 110 N -0.49 0.00 0.00 1.70 -0.58 -1.26 -1.20 120.64 118.81 2chs n GLU 110 Ca -0.04 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.81 2chs n GLU 110 Cb 0.64 0.00 0.65 0.00 -0.57 0.00 0.00 31.44 32.16 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 0.67 0.00 3.49 5.02 -1.26 -1.99 118.16 138.09 2chs n LYS 111 Ca 0.00 0.01 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 2chs n LYS 111 Cb 0.00 -1.50 0.74 0.00 -0.02 0.00 0.00 35.03 34.25 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 -1.02 2.65 0.37 7.82 0.00 -0.34 -3.99 120.51 126.01 2chs n ALA 112 Ca 0.16 -0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.42 2chs n ALA 112 Cb 0.08 -1.42 0.19 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.01 0.48 0.16 0.00 0.24 -0.84 -2.82 118.33 114.53 2chs n VAL 113 Ca 0.17 0.12 -0.02 0.00 -2.04 0.00 0.00 64.34 62.57 2chs n VAL 113 Cb 0.23 -1.01 0.13 0.00 -1.47 0.00 0.00 33.84 31.72 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 -1.15 1.46 -0.72 3.34 3.14 -1.26 -5.01 118.33 118.14 2chs n VAL 114 Ca 0.04 -0.67 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 2chs n VAL 114 Cb 0.04 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55