#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 1.78 0.04 1.12 -4.36 -1.26 -1.66 121.20 116.86 2chs s ILE 3 Ca 0.00 -0.96 0.05 0.00 -0.26 0.00 0.00 60.65 59.48 2chs s ILE 3 Cb 0.00 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.21 2chs s ILE 3 CO 0.00 0.50 -0.14 -0.13 0.24 0.00 0.00 174.94 175.41 2chs s ARG 4 N -0.48 0.90 0.33 0.37 1.81 0.30 -4.91 118.95 117.28 2chs s ARG 4 Ca 0.07 -0.78 -0.18 0.00 -1.72 0.00 0.00 55.73 53.12 2chs s ARG 4 Cb -0.09 -0.90 -0.09 0.00 -0.45 0.00 0.00 34.95 33.41 2chs s ARG 4 CO -0.00 0.22 0.81 0.20 -0.68 0.00 0.00 175.30 175.84 2chs s GLY 5 N -1.23 2.44 -0.12 -3.53 0.00 -1.26 -1.25 107.32 102.36 2chs s GLY 5 Ca 0.01 0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.94 2chs s GLY 5 CO 0.01 0.47 -0.14 -0.42 0.00 0.00 0.00 173.10 173.02 2chs s ILE 6 N -1.93 1.50 0.03 0.90 1.01 0.93 -4.94 121.20 118.70 2chs s ILE 6 Ca 0.54 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 2chs s ILE 6 Cb -0.12 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 2chs s ILE 6 CO 0.17 0.44 0.27 -0.13 0.00 0.00 0.00 174.94 175.70 2chs s ARG 7 N 1.23 3.56 0.09 2.79 1.81 -1.26 -1.33 118.95 125.84 2chs s ARG 7 Ca -0.01 -0.12 -0.08 0.00 -1.72 0.00 0.00 55.73 53.80 2chs s ARG 7 Cb -0.14 -3.05 -0.00 0.00 -0.45 0.00 0.00 34.95 31.31 2chs s ARG 7 CO -0.06 0.63 0.17 0.20 -0.68 0.00 0.00 175.30 175.56 2chs s GLY 8 N -1.86 0.13 -0.18 -3.53 0.00 -0.95 -1.84 107.32 99.08 2chs s GLY 8 Ca 0.30 -0.67 -0.25 0.00 0.00 0.00 0.00 44.72 44.09 2chs s GLY 8 CO 0.18 -0.85 0.66 0.00 0.00 0.00 0.00 173.10 173.10 2chs s ALA 9 N -3.87 -1.66 0.22 3.20 0.00 -0.23 -0.97 121.76 118.44 2chs s ALA 9 Ca 0.05 1.66 -0.12 0.00 0.00 0.00 0.00 51.96 53.55 2chs s ALA 9 Cb 0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 2chs s ALA 9 CO -0.11 -0.33 0.43 -0.08 0.00 0.00 0.00 175.76 175.67 2chs s THR 10 N -0.18 0.02 0.13 0.00 -1.32 -0.45 -0.98 115.64 112.85 2chs s THR 10 Ca -0.04 -1.30 0.05 0.00 -1.21 0.00 0.00 61.69 59.19 2chs s THR 10 Cb -0.03 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.91 2chs s THR 10 CO 0.04 -0.10 -0.12 0.42 -2.21 0.00 0.00 174.62 172.65 2chs s THR 11 N -3.98 1.21 0.45 5.08 -4.23 -1.26 -0.67 115.64 112.24 2chs s THR 11 Ca 0.19 -1.83 0.05 0.00 -1.18 0.00 0.00 61.69 58.92 2chs s THR 11 Cb 0.00 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.18 2chs s THR 11 CO 0.05 -0.56 0.04 0.68 -0.54 0.00 0.00 174.62 174.29 2chs s VAL 12 N -2.63 1.72 -0.19 2.29 -7.23 -0.71 -4.80 120.40 108.86 2chs s VAL 12 Ca 0.11 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 2chs s VAL 12 Cb -0.02 -2.67 -0.15 0.00 0.56 0.00 0.00 36.38 34.10 2chs s VAL 12 CO 0.02 0.00 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.08 2chs n GLU 13 N -1.14 0.78 -4.51 4.82 -0.58 -1.26 -4.90 120.64 113.86 2chs n GLU 13 Ca -0.09 0.08 -0.25 0.00 -0.42 0.00 0.00 57.16 56.48 2chs n GLU 13 Cb 0.67 -1.40 -0.13 0.00 -0.57 0.00 0.00 31.44 30.00 2chs n GLU 13 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2chs s ARG 14 N -2.40 1.28 -1.13 3.49 0.52 -1.26 -5.04 118.95 114.42 2chs s ARG 14 Ca -0.21 -1.01 -0.21 0.00 -0.52 0.00 0.00 55.73 53.77 2chs s ARG 14 Cb 0.06 -1.44 0.05 0.00 0.52 0.00 0.00 34.95 34.14 2chs s ARG 14 CO 0.52 0.36 1.61 0.34 0.02 0.00 0.00 175.30 178.14 2chs s ASP 15 N -1.43 6.48 0.03 0.23 2.15 -1.26 -4.60 116.67 118.27 2chs s ASP 15 Ca 0.07 -1.79 -0.05 0.00 0.43 0.00 0.00 52.55 51.20 2chs s ASP 15 Cb -0.09 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2chs s ASP 15 CO 0.03 -1.53 0.09 0.28 -0.17 0.00 0.00 175.17 173.87 2chs s THR 16 N 5.28 0.12 0.12 1.71 -1.32 -1.26 -4.63 115.64 115.67 2chs s THR 16 Ca 0.52 -1.03 -0.20 0.00 -1.21 0.00 0.00 61.69 59.76 2chs s THR 16 Cb 0.01 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 2chs s THR 16 CO -0.02 -0.57 1.71 -0.08 -2.21 0.00 0.00 174.62 173.46 2chs h GLU 17 N 3.81 -0.00 -0.59 7.08 4.81 -1.91 -1.70 114.58 126.08 2chs h GLU 17 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2chs h GLU 17 Cb 1.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2chs h GLU 17 CO 0.48 -0.00 0.39 1.49 -0.73 0.00 0.00 179.01 180.64 2chs h GLU 18 N -0.00 0.78 -0.28 1.92 4.81 -1.97 -0.51 114.58 119.33 2chs h GLU 18 Ca 0.09 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 2chs h GLU 18 Cb 0.13 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2chs h GLU 18 CO -0.18 0.53 -0.44 1.49 -0.73 0.00 0.00 179.01 179.67 2chs h GLU 19 N 0.80 0.80 -0.17 1.92 4.57 -1.83 0.25 114.58 120.92 2chs h GLU 19 Ca 0.22 -0.48 -0.14 0.00 -1.18 0.00 0.00 59.36 57.77 2chs h GLU 19 Cb -0.08 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2chs h GLU 19 CO -0.05 1.11 -0.44 0.82 -1.18 0.00 0.00 179.01 179.27 2chs h ILE 20 N 0.56 1.34 -0.49 2.32 2.04 -1.20 -1.48 117.51 120.59 2chs h ILE 20 Ca 0.02 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.17 2chs h ILE 20 Cb 1.04 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 2chs h ILE 20 CO 0.10 0.52 0.23 -0.07 0.00 0.00 0.00 178.15 178.94 2chs h LEU 21 N 0.25 0.65 0.22 1.44 3.38 -1.09 -1.53 115.31 118.63 2chs h LEU 21 Ca -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2chs h LEU 21 Cb 1.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2chs h LEU 21 CO 0.10 0.60 -0.10 -0.61 0.09 0.00 0.00 178.44 178.51 2chs h GLN 22 N 0.65 -0.28 0.00 1.13 4.15 -0.96 -1.02 115.11 118.78 2chs h GLN 22 Ca 0.17 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2chs h GLN 22 Cb 0.13 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 2chs h GLN 22 CO -0.02 0.05 -0.10 0.87 -1.93 0.00 0.00 178.83 177.70 2chs h LYS 23 N -0.64 0.00 0.14 1.69 1.79 -1.31 -1.01 116.57 117.22 2chs h LYS 23 Ca -0.03 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.15 2chs h LYS 23 Cb 0.46 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2chs h LYS 23 CO 0.05 0.10 -1.26 1.15 -1.08 0.00 0.00 179.45 178.41 2chs h THR 24 N 0.00 1.37 -0.18 -0.16 2.02 -1.08 -2.03 112.91 112.85 2chs h THR 24 Ca -0.00 -2.70 0.04 0.00 0.77 0.00 0.00 66.41 64.52 2chs h THR 24 Cb 0.22 2.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.41 2chs h THR 24 CO 0.01 0.81 -0.07 0.50 0.37 0.00 0.00 175.52 177.14 2chs h LYS 25 N 0.18 -0.03 -0.63 6.66 3.64 -0.85 -1.91 116.57 123.63 2chs h LYS 25 Ca -0.17 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.25 2chs h LYS 25 Cb 1.94 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.72 2chs h LYS 25 CO 0.23 -0.02 0.36 1.96 -2.27 0.00 0.00 179.45 179.70 2chs h GLN 26 N -0.04 0.66 0.10 1.90 4.20 -1.17 0.41 115.11 121.18 2chs h GLN 26 Ca 0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2chs h GLN 26 Cb 0.17 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2chs h GLN 26 CO -0.20 0.44 -0.07 1.25 -0.67 0.00 0.00 178.83 179.57 2chs h LEU 27 N 0.68 -0.19 -0.27 1.46 5.85 -1.06 -2.31 115.31 119.48 2chs h LEU 27 Ca 0.27 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.01 2chs h LEU 27 Cb 0.11 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2chs h LEU 27 CO -0.15 -0.12 0.17 -0.07 -0.34 0.00 0.00 178.44 177.93 2chs h LEU 28 N -0.18 0.28 -1.38 2.25 3.38 -1.05 -1.21 115.31 117.40 2chs h LEU 28 Ca -0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2chs h LEU 28 Cb 0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2chs h LEU 28 CO -0.00 0.20 0.44 -0.33 0.09 0.00 0.00 178.44 178.83 2chs h GLU 29 N 0.34 0.81 -0.09 1.13 5.08 -0.90 -1.07 114.58 119.88 2chs h GLU 29 Ca 0.10 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2chs h GLU 29 Cb -0.02 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 2chs h GLU 29 CO -0.04 0.54 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.26 2chs h LYS 30 N 0.83 0.18 -0.71 2.33 1.63 -1.01 -2.40 116.57 117.42 2chs h LYS 30 Ca 0.25 -0.07 0.09 0.00 -0.85 0.00 0.00 60.65 60.07 2chs h LYS 30 Cb -0.01 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.54 2chs h LYS 30 CO -0.06 0.52 0.35 0.82 -3.45 0.00 0.00 179.45 177.63 2chs h ILE 31 N -0.16 0.84 -0.27 2.00 2.04 -0.86 -0.79 117.51 120.30 2chs h ILE 31 Ca 0.02 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 2chs h ILE 31 Cb 0.45 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2chs h ILE 31 CO 0.01 0.11 -0.00 0.40 0.00 0.00 0.00 178.15 178.67 2chs h ILE 32 N 0.60 1.26 -0.44 -0.67 2.04 -1.21 0.00 117.51 119.09 2chs h ILE 32 Ca 0.35 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 2chs h ILE 32 Cb 0.38 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2chs h ILE 32 CO -0.27 0.29 -0.00 -0.08 0.00 0.00 0.00 178.15 178.09 2chs h GLU 33 N 0.27 0.71 -0.19 2.37 4.81 -1.18 0.67 114.58 122.03 2chs h GLU 33 Ca 0.08 -0.18 -0.20 0.00 -0.13 0.00 0.00 59.36 58.92 2chs h GLU 33 Cb 0.43 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2chs h GLU 33 CO 0.01 0.73 -0.68 0.93 -0.73 0.00 0.00 179.01 179.28 2chs h GLU 34 N 0.67 0.76 -0.06 1.92 4.39 -0.82 -3.31 114.58 118.13 2chs h GLU 34 Ca 0.13 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2chs h GLU 34 Cb 0.42 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2chs h GLU 34 CO 0.02 1.18 0.00 0.09 -1.16 0.00 0.00 179.01 179.14 2chs n ASN 35 N -3.95 2.94 -3.83 1.42 3.02 -0.04 -4.88 115.26 109.94 2chs n ASN 35 Ca -0.06 -1.95 -0.25 0.00 -0.03 0.00 0.00 54.58 52.29 2chs n ASN 35 Cb 0.69 -0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.86 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 1.29 -1.99 -2.33 3.10 8.25 0.23 -4.92 115.22 118.85 2chs n HIS 36 Ca 0.14 0.85 -0.41 0.00 -0.26 0.00 0.00 57.72 58.03 2chs n HIS 36 Cb 0.57 -4.09 -0.03 0.00 1.12 0.00 0.00 29.99 27.55 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 -3.58 3.48 -0.14 1.59 2.01 -0.96 -5.04 115.64 112.99 2chs s THR 37 Ca 0.25 1.23 -0.03 0.00 0.31 0.00 0.00 61.69 63.44 2chs s THR 37 Cb -0.13 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2chs s THR 37 CO 0.84 0.19 -0.04 -0.54 -0.69 0.00 0.00 174.62 174.37 2chs s LYS 38 N -0.13 3.55 0.35 4.92 -0.14 -1.26 -4.97 119.74 122.06 2chs s LYS 38 Ca 0.54 -0.53 0.09 0.00 -1.36 0.00 0.00 55.97 54.71 2chs s LYS 38 Cb -0.34 -2.86 0.82 0.00 -1.68 0.00 0.00 37.83 33.77 2chs s LYS 38 CO 0.37 0.30 1.85 -1.00 -0.76 0.00 0.00 175.35 176.10 2chs h PRO 39 N 6.51 0.67 0.00 -1.68 0.13 -1.93 0.12 132.00 135.81 2chs h PRO 39 Ca -0.33 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 2chs h PRO 39 Cb 1.19 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2chs h PRO 39 CO 0.61 0.44 -0.03 1.05 -0.23 0.00 0.00 178.00 179.85 2chs h GLU 40 N 0.69 0.00 -0.02 0.86 9.09 -1.95 -1.12 114.58 122.13 2chs h GLU 40 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 2chs h GLU 40 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 2chs h GLU 40 CO -0.23 0.03 -0.01 -0.25 0.05 0.00 0.00 179.01 178.60 2chs n ASP 41 N -3.36 1.62 -4.64 3.06 8.00 0.03 -4.88 116.55 116.38 2chs n ASP 41 Ca -0.02 -1.53 -0.41 0.00 0.71 0.00 0.00 54.79 53.54 2chs n ASP 41 Cb 0.14 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.01 4.96 0.05 2.53 1.01 -0.42 -1.12 120.40 125.39 2chs s VAL 42 Ca 0.37 1.23 -0.25 0.00 0.00 0.00 0.00 61.98 63.33 2chs s VAL 42 Cb 0.21 -3.97 -0.17 0.00 0.00 0.00 0.00 36.38 32.45 2chs s VAL 42 CO 0.34 0.03 1.53 0.58 0.00 0.00 0.00 175.10 177.57 2chs h VAL 43 N 5.36 1.00 -1.72 2.92 2.07 -0.89 -3.47 116.25 121.53 2chs h VAL 43 Ca -0.27 -0.39 0.40 0.00 0.82 0.00 0.00 66.70 67.26 2chs h VAL 43 Cb 1.12 1.25 -0.10 0.00 -1.52 0.00 0.00 31.29 32.05 2chs h VAL 43 CO 0.79 0.10 1.00 0.00 0.02 0.00 0.00 177.57 179.47 2chs s GLN 44 N -5.44 0.07 -0.08 1.57 -2.07 -1.22 -4.63 119.66 107.86 2chs s GLN 44 Ca -0.14 -0.04 -0.14 0.00 -1.82 0.00 0.00 55.36 53.22 2chs s GLN 44 Cb 0.04 0.02 0.03 0.00 -1.09 0.00 0.00 33.01 32.01 2chs s GLN 44 CO 0.64 -0.03 0.34 1.41 -1.32 0.00 0.00 175.29 176.33 2chs s MET 45 N -2.02 0.54 -0.01 9.60 1.75 -1.02 -1.34 119.30 126.80 2chs s MET 45 Ca 0.27 0.17 0.08 0.00 -1.25 0.00 0.00 55.69 54.95 2chs s MET 45 Cb 0.02 0.25 -0.02 0.00 2.84 0.00 0.00 34.83 37.92 2chs s MET 45 CO -0.04 -0.12 -0.24 -0.51 -0.65 0.00 0.00 175.02 173.46 2chs s LEU 46 N -0.54 2.06 -0.10 4.11 1.43 -0.44 -2.21 118.68 122.99 2chs s LEU 46 Ca -0.06 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2chs s LEU 46 Cb -0.04 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.95 2chs s LEU 46 CO 0.02 0.29 -0.18 -0.76 0.23 0.00 0.00 176.35 175.96 2chs s LEU 47 N -0.64 1.85 0.17 1.79 1.43 -0.77 -1.58 118.68 120.93 2chs s LEU 47 Ca 0.09 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 2chs s LEU 47 Cb -0.09 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2chs s LEU 47 CO -0.01 0.06 0.03 -0.94 0.23 0.00 0.00 176.35 175.73 2chs s SER 48 N 0.78 4.96 -0.01 2.29 1.04 -0.15 -1.73 113.70 120.87 2chs s SER 48 Ca -0.10 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.02 2chs s SER 48 Cb -0.16 -1.12 -0.00 0.00 0.10 0.00 0.00 66.02 64.84 2chs s SER 48 CO 0.01 0.08 -0.10 0.00 0.98 0.00 0.00 173.24 174.22 2chs s ALA 49 N -1.75 0.88 0.82 5.32 0.00 -1.12 -1.50 121.76 124.41 2chs s ALA 49 Ca 0.28 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 2chs s ALA 49 Cb -0.09 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.84 2chs s ALA 49 CO 0.20 0.19 1.08 0.25 0.00 0.00 0.00 175.76 177.48 2chs n THR 50 N 2.99 1.79 0.00 0.00 -2.24 -0.68 -2.05 114.28 114.08 2chs n THR 50 Ca -0.15 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2chs n THR 50 Cb 0.56 -1.11 0.01 0.00 -2.10 0.00 0.00 70.33 67.69 2chs n THR 50 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2chs n PRO 51 N -2.97 0.00 0.04 -0.78 -0.02 -1.26 -1.94 135.00 128.07 2chs n PRO 51 Ca 0.13 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 2chs n PRO 51 Cb 0.51 -1.59 0.11 0.00 -0.02 0.00 0.00 33.50 32.51 2chs n PRO 51 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2chs n ASP 52 N -1.42 0.65 -4.69 2.55 5.68 -1.26 -4.87 116.55 113.18 2chs n ASP 52 Ca -0.00 -0.05 -0.37 0.00 -0.50 0.00 0.00 54.79 53.87 2chs n ASP 52 Cb 0.09 0.44 -0.07 0.00 -1.14 0.00 0.00 41.12 40.43 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 -4.00 4.19 0.00 -2.12 1.43 -0.82 -4.88 118.68 112.49 2chs s LEU 53 Ca 0.06 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2chs s LEU 53 Cb 0.14 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.91 2chs s LEU 53 CO 0.75 -0.01 0.00 1.41 0.23 0.00 0.00 176.35 178.74 2chs n HIS 54 N 4.13 0.00 0.13 0.29 8.25 -1.26 -4.93 115.22 121.83 2chs n HIS 54 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2chs n HIS 54 Cb 0.51 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.74 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 0.76 -2.54 -1.41 0.00 -1.90 -3.47 119.26 110.70 2chs h ALA 55 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.37 2chs h ALA 55 Cb 0.39 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.93 2chs h ALA 55 CO 0.00 0.77 0.31 0.54 0.00 0.00 0.00 179.25 180.88 2chs s VAL 56 N -3.24 0.00 0.20 0.00 0.11 -1.26 -4.67 120.40 111.53 2chs s VAL 56 Ca 0.01 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.76 2chs s VAL 56 Cb 0.10 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 2chs s VAL 56 CO 0.75 0.00 1.12 -0.36 -3.33 0.00 0.00 175.10 173.28 2chs s PHE 57 N -3.00 3.55 -0.11 1.54 0.08 -1.26 -4.96 117.98 113.82 2chs s PHE 57 Ca 0.00 1.58 0.29 0.00 0.12 0.00 0.00 56.93 58.92 2chs s PHE 57 Cb -0.01 -3.31 1.32 0.00 -0.57 0.00 0.00 43.02 40.45 2chs s PHE 57 CO -0.07 -0.73 1.87 -1.00 -0.10 0.00 0.00 175.22 175.18 2chs h PRO 58 N 4.90 0.00 -0.00 0.24 0.13 -1.95 -3.10 132.00 132.22 2chs h PRO 58 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2chs h PRO 58 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2chs h PRO 58 CO 0.72 0.00 0.13 0.00 -0.23 0.00 0.00 178.00 178.62 2chs h ALA 59 N 2.11 1.14 0.00 -0.56 0.00 -1.94 -1.77 119.26 118.24 2chs h ALA 59 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2chs h ALA 59 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2chs h ALA 59 CO 0.00 -0.13 0.00 -0.22 0.00 0.00 0.00 179.25 178.90 2chs h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.96 -2.27 116.57 115.99 2chs h LYS 60 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2chs h LYS 60 Cb 0.26 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2chs h LYS 60 CO -0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 179.45 177.12 2chs h ALA 61 N 2.06 1.00 -0.51 5.00 0.00 -1.58 -3.04 119.26 122.19 2chs h ALA 61 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2chs h ALA 61 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2chs h ALA 61 CO 0.00 0.08 0.00 0.28 0.00 0.00 0.00 179.25 179.61 2chs h VAL 62 N 0.00 1.25 0.00 0.00 2.07 -1.60 -1.31 116.25 116.66 2chs h VAL 62 Ca -0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2chs h VAL 62 Cb 0.65 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2chs h VAL 62 CO 0.01 0.37 0.00 0.54 0.02 0.00 0.00 177.57 178.51 2chs n ARG 63 N -4.21 0.04 0.00 1.57 3.00 -1.15 -0.87 116.66 115.05 2chs n ARG 63 Ca 0.03 0.39 0.14 0.00 -0.01 0.00 0.00 57.85 58.40 2chs n ARG 63 Cb 0.31 -1.59 0.63 0.00 0.00 0.00 0.00 32.46 31.81 2chs n ARG 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2chs n GLU 64 N -1.67 0.49 -3.59 5.56 1.02 -0.49 -4.80 120.64 117.14 2chs n GLU 64 Ca 0.02 -0.12 -0.37 0.00 -0.02 0.00 0.00 57.16 56.67 2chs n GLU 64 Cb 0.11 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.60 4.31 -0.50 -4.62 1.43 -0.05 -4.99 118.68 111.67 2chs s LEU 65 Ca 0.26 0.58 -0.31 0.00 -1.03 0.00 0.00 54.13 53.63 2chs s LEU 65 Cb 0.20 -2.36 -0.12 0.00 0.03 0.00 0.00 46.19 43.94 2chs s LEU 65 CO 0.49 0.20 2.35 -1.20 0.23 0.00 0.00 176.35 178.42 2chs n SER 66 N 2.97 1.92 0.00 2.29 7.64 -1.26 -2.45 113.62 124.74 2chs n SER 66 Ca -0.14 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2chs n SER 66 Cb 0.52 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2chs n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2chs n GLY 67 N 6.34 0.74 0.87 0.23 0.00 -1.26 -4.94 105.19 107.17 2chs n GLY 67 Ca 0.44 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.18 0.47 0.00 1.61 7.02 -1.02 -4.50 117.44 118.84 2chs n TRP 68 Ca 0.00 -0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.25 2chs n TRP 68 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 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 0.91 0.00 0.00 -0.99 0.00 -1.26 -1.09 117.38 114.94 2chs n GLN 69 Ca 0.17 0.37 0.06 0.00 0.00 0.00 0.00 57.00 57.61 2chs n GLN 69 Cb 0.45 -1.53 0.04 0.00 0.00 0.00 0.00 30.24 29.19 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 -1.36 0.00 -2.45 2.61 4.01 -1.26 -4.98 117.16 113.73 2chs n TYR 70 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2chs n TYR 70 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.19 4.24 -0.17 -0.72 1.01 -0.25 -4.97 120.40 118.35 2chs s VAL 71 Ca 0.14 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 2chs s VAL 71 Cb 0.10 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2chs s VAL 71 CO 0.20 -0.01 1.12 -2.16 0.00 0.00 0.00 175.10 174.25 2chs s PRO 72 N 2.29 4.29 0.08 2.72 0.04 -1.26 -5.00 135.00 138.15 2chs s PRO 72 Ca 0.56 1.49 0.07 0.00 0.04 0.00 0.00 61.00 63.16 2chs s PRO 72 Cb -0.25 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 2chs s PRO 72 CO 0.22 -0.59 -0.19 0.14 0.04 0.00 0.00 177.00 176.62 2chs s VAL 73 N 3.01 1.57 0.07 -0.36 -7.23 -1.26 -2.44 120.40 113.77 2chs s VAL 73 Ca 0.49 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2chs s VAL 73 Cb -0.18 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 2chs s VAL 73 CO 0.12 -0.01 0.01 0.28 -0.31 0.00 0.00 175.10 175.19 2chs s THR 74 N -1.06 0.18 0.41 5.32 -1.32 -0.94 -4.98 115.64 113.25 2chs s THR 74 Ca 0.05 -1.78 0.08 0.00 -1.21 0.00 0.00 61.69 58.83 2chs s THR 74 Cb -0.10 -1.64 -0.02 0.00 -1.51 0.00 0.00 72.50 69.24 2chs s THR 74 CO 0.03 -0.84 0.38 0.00 -2.21 0.00 0.00 174.62 171.98 2chs s MET 76 N -4.12 1.41 -0.16 0.00 0.23 -0.70 -4.89 119.30 111.06 2chs s MET 76 Ca 0.48 -0.62 -0.12 0.00 -1.03 0.00 0.00 55.69 54.40 2chs s MET 76 Cb -0.04 0.59 -0.05 0.00 -1.53 0.00 0.00 34.83 33.80 2chs s MET 76 CO 0.28 -0.62 0.23 -1.14 -2.03 0.00 0.00 175.02 171.73 2chs s GLN 77 N -3.80 4.11 0.54 3.16 0.74 -1.26 -2.78 119.66 120.38 2chs s GLN 77 Ca 0.04 -0.02 -0.19 0.00 0.05 0.00 0.00 55.36 55.24 2chs s GLN 77 Cb -0.02 -3.38 -0.06 0.00 1.10 0.00 0.00 33.01 30.65 2chs s GLN 77 CO -0.08 0.35 1.08 -2.00 -0.55 0.00 0.00 175.29 174.09 2chs s GLU 78 N 0.16 3.48 0.45 1.67 2.56 -0.87 -4.88 118.70 121.26 2chs s GLU 78 Ca 0.14 1.40 -0.22 0.00 0.00 0.00 0.00 54.97 56.29 2chs s GLU 78 Cb -0.12 -2.04 -0.09 0.00 2.00 0.00 0.00 34.13 33.88 2chs s GLU 78 CO 0.02 -0.70 1.05 0.00 -0.56 0.00 0.00 175.26 175.07 2chs s MET 79 N -3.50 3.95 -0.61 4.30 0.23 -1.26 -4.58 119.30 117.83 2chs s MET 79 Ca 0.68 1.46 -0.21 0.00 -1.03 0.00 0.00 55.69 56.58 2chs s MET 79 Cb -0.19 -2.30 0.07 0.00 -1.53 0.00 0.00 34.83 30.88 2chs s MET 79 CO 0.27 -0.32 0.86 0.34 -2.03 0.00 0.00 175.02 174.14 2chs s ASP 80 N -1.76 6.20 -0.14 -1.18 2.15 -1.26 -4.93 116.67 115.75 2chs s ASP 80 Ca 0.63 -1.01 -0.07 0.00 0.43 0.00 0.00 52.55 52.54 2chs s ASP 80 Cb -0.20 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 2chs s ASP 80 CO 0.24 -1.27 0.10 -0.69 -0.17 0.00 0.00 175.17 173.38 2chs s VAL 81 N 3.55 5.18 0.11 1.11 1.01 -1.26 -5.07 120.40 125.02 2chs s VAL 81 Ca 0.20 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 2chs s VAL 81 Cb -0.18 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.84 2chs s VAL 81 CO 0.11 0.55 1.37 -0.89 0.00 0.00 0.00 175.10 176.24 2chs s THR 82 N -0.47 3.37 0.00 3.92 2.01 -1.26 -1.77 115.64 121.43 2chs s THR 82 Ca 0.11 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.09 2chs s THR 82 Cb -0.12 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2chs s THR 82 CO 0.02 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2chs n GLY 83 N 3.47 0.89 3.91 4.40 0.00 -1.26 -5.04 105.19 111.56 2chs n GLY 83 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.90 1.62 -0.03 -0.02 0.00 -0.73 -5.01 107.32 101.25 2chs s GLY 84 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 2chs s GLY 84 CO 0.00 -0.27 1.30 -2.27 0.00 0.00 0.00 173.10 171.86 2chs s LEU 85 N -5.46 4.29 0.48 0.66 2.96 -1.26 -5.01 118.68 115.33 2chs s LEU 85 Ca 0.61 1.96 -0.08 0.00 -0.22 0.00 0.00 54.13 56.40 2chs s LEU 85 Cb -0.11 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2chs s LEU 85 CO 0.48 -0.65 0.82 -0.54 -1.32 0.00 0.00 176.35 175.14 2chs s LYS 86 N 2.33 3.64 -1.44 1.98 -0.14 -1.26 -4.34 119.74 120.51 2chs s LYS 86 Ca 0.60 0.39 -0.10 0.00 -1.36 0.00 0.00 55.97 55.50 2chs s LYS 86 Cb -0.28 -2.33 0.06 0.00 -1.68 0.00 0.00 37.83 33.61 2chs s LYS 86 CO 0.24 -0.21 0.71 1.63 -0.76 0.00 0.00 175.35 176.96 2chs n LYS 87 N -2.01 -4.56 -3.71 1.68 5.02 -1.26 -4.79 118.16 108.53 2chs n LYS 87 Ca 0.02 0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 56.56 2chs n LYS 87 Cb 0.55 -5.43 -0.07 0.00 -0.02 0.00 0.00 35.03 30.06 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 -0.50 2.18 0.08 0.00 1.01 0.15 -1.69 121.20 122.42 2chs s ILE 89 Ca 0.16 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.98 2chs s ILE 89 Cb -0.13 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 2chs s ILE 89 CO 0.05 0.51 -0.25 -0.13 0.00 0.00 0.00 174.94 175.12 2chs s ARG 90 N 1.30 1.71 0.09 2.79 0.52 -0.56 -1.34 118.95 123.45 2chs s ARG 90 Ca 0.05 -1.17 0.08 0.00 -0.52 0.00 0.00 55.73 54.16 2chs s ARG 90 Cb -0.13 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 2chs s ARG 90 CO -0.12 0.49 -0.20 0.54 0.02 0.00 0.00 175.30 176.03 2chs s VAL 91 N -0.93 1.65 -0.24 3.52 0.11 -0.14 -0.98 120.40 123.39 2chs s VAL 91 Ca 0.13 -1.44 -0.00 0.00 -2.93 0.00 0.00 61.98 57.74 2chs s VAL 91 Cb -0.10 -1.49 0.07 0.00 -1.53 0.00 0.00 36.38 33.33 2chs s VAL 91 CO 0.04 -0.01 0.00 -0.32 -3.33 0.00 0.00 175.10 171.49 2chs s MET 92 N -1.72 1.17 -0.21 1.54 1.75 -0.61 -2.24 119.30 118.98 2chs s MET 92 Ca 0.06 -0.89 -0.09 0.00 -1.25 0.00 0.00 55.69 53.52 2chs s MET 92 Cb -0.10 -2.38 -0.04 0.00 2.84 0.00 0.00 34.83 35.15 2chs s MET 92 CO 0.04 -0.70 0.10 1.41 -0.65 0.00 0.00 175.02 175.21 2chs s MET 93 N 1.54 3.99 -0.24 4.11 1.75 -0.44 -1.32 119.30 128.69 2chs s MET 93 Ca -0.01 -0.32 -0.10 0.00 -1.25 0.00 0.00 55.69 54.01 2chs s MET 93 Cb -0.18 -3.34 -0.05 0.00 2.84 0.00 0.00 34.83 34.10 2chs s MET 93 CO -0.10 0.17 0.14 0.99 -0.65 0.00 0.00 175.02 175.56 2chs s THR 94 N 0.69 5.13 0.09 10.11 2.01 -0.45 -0.05 115.64 133.18 2chs s THR 94 Ca 0.05 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.19 2chs s THR 94 Cb -0.13 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2chs s THR 94 CO 0.02 0.35 -0.10 0.68 -0.69 0.00 0.00 174.62 174.88 2chs s VAL 95 N 1.10 0.91 -0.09 3.82 -7.23 -0.38 -0.19 120.40 118.33 2chs s VAL 95 Ca 0.07 -1.63 -0.24 0.00 -1.81 0.00 0.00 61.98 58.36 2chs s VAL 95 Cb -0.14 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 2chs s VAL 95 CO 0.04 -0.57 0.75 -1.58 -0.31 0.00 0.00 175.10 173.44 2chs s GLN 96 N -2.79 4.41 -0.13 4.82 0.74 -0.28 -0.54 119.66 125.89 2chs s GLN 96 Ca 0.05 0.95 -0.30 0.00 0.05 0.00 0.00 55.36 56.11 2chs s GLN 96 Cb -0.03 -3.48 0.12 0.00 1.10 0.00 0.00 33.01 30.72 2chs s GLN 96 CO -0.00 -0.05 1.00 -0.08 -0.55 0.00 0.00 175.29 175.60 2chs s THR 97 N 1.19 0.00 -0.16 -0.34 -1.32 -0.67 -4.93 115.64 109.40 2chs s THR 97 Ca 0.39 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.03 2chs s THR 97 Cb -0.18 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.17 2chs s THR 97 CO 0.17 0.00 1.21 -0.90 -2.21 0.00 0.00 174.62 172.89 2chs n ASP 98 N 0.40 2.36 -4.71 8.08 5.75 -1.26 -1.15 116.55 126.02 2chs n ASP 98 Ca -0.09 -3.30 -0.42 0.00 -0.01 0.00 0.00 54.79 50.97 2chs n ASP 98 Cb 0.59 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 2chs n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2chs s VAL 99 N -2.98 3.51 0.73 2.12 1.01 -1.26 -4.95 120.40 118.58 2chs s VAL 99 Ca 0.35 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 63.24 2chs s VAL 99 Cb 0.31 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2chs s VAL 99 CO 0.01 0.07 1.01 -0.81 0.00 0.00 0.00 175.10 175.39 2chs n PRO 100 N 4.09 0.52 -0.23 2.72 -0.04 -1.26 -4.83 135.00 135.97 2chs n PRO 100 Ca 0.11 0.24 0.03 0.00 -0.04 0.00 0.00 63.50 63.84 2chs n PRO 100 Cb 0.43 -2.27 0.14 0.00 -0.04 0.00 0.00 33.50 31.77 2chs n PRO 100 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2chs h GLN 101 N -0.26 0.21 0.00 0.54 4.15 -1.99 -0.81 115.11 116.95 2chs h GLN 101 Ca -0.47 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2chs h GLN 101 Cb 1.33 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.97 2chs h GLN 101 CO 0.47 0.14 0.00 -0.40 -1.93 0.00 0.00 178.83 177.11 2chs n ASP 102 N -5.19 0.00 -0.13 -0.69 5.75 -1.26 -2.74 116.55 112.28 2chs n ASP 102 Ca 0.12 -0.79 0.02 0.00 -0.01 0.00 0.00 54.79 54.12 2chs n ASP 102 Cb 0.41 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.91 0.51 -1.74 0.11 6.02 -0.31 -5.00 117.38 116.05 2chs n GLN 103 Ca 0.13 -0.62 -0.40 0.00 -0.01 0.00 0.00 57.00 56.10 2chs n GLN 103 Cb 0.06 -1.01 0.03 0.00 1.02 0.00 0.00 30.24 30.33 2chs n GLN 103 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2chs n ILE 104 N 0.02 3.10 -3.64 5.09 2.08 -1.11 -4.98 119.36 119.92 2chs n ILE 104 Ca 0.02 -0.50 -0.40 0.00 0.56 0.00 0.00 62.75 62.43 2chs n ILE 104 Cb 0.09 -1.74 -0.11 0.00 -0.75 0.00 0.00 39.64 37.14 2chs n ILE 104 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2chs s ARG 105 N -2.55 2.61 0.40 0.38 0.52 -1.26 -5.07 118.95 113.98 2chs s ARG 105 Ca 0.65 -1.36 -0.15 0.00 -0.52 0.00 0.00 55.73 54.35 2chs s ARG 105 Cb -0.45 -3.70 -0.08 0.00 0.52 0.00 0.00 34.95 31.25 2chs s ARG 105 CO 0.55 -0.86 0.82 -1.01 0.02 0.00 0.00 175.30 174.82 2chs s HIS 106 N 1.43 3.41 -0.09 -0.53 3.76 -1.26 -4.81 115.29 117.18 2chs s HIS 106 Ca 0.02 1.26 0.02 0.00 -0.15 0.00 0.00 55.06 56.21 2chs s HIS 106 Cb -0.22 -2.59 0.01 0.00 1.11 0.00 0.00 32.58 30.89 2chs s HIS 106 CO 0.03 -0.08 -0.16 0.08 -0.85 0.00 0.00 174.74 173.75 2chs s VAL 107 N -2.25 1.51 -0.22 -0.90 1.01 -0.77 -5.00 120.40 113.78 2chs s VAL 107 Ca 0.55 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 2chs s VAL 107 Cb -0.10 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 34.98 2chs s VAL 107 CO 0.24 0.44 -0.01 -0.31 0.00 0.00 0.00 175.10 175.46 2chs s TYR 108 N 0.75 1.81 0.37 5.22 2.02 -1.26 -1.07 117.35 125.19 2chs s TYR 108 Ca -0.12 -1.38 0.08 0.00 -0.37 0.00 0.00 57.07 55.28 2chs s TYR 108 Cb -0.16 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 2chs s TYR 108 CO 0.02 -0.71 0.16 -0.51 -1.57 0.00 0.00 175.55 172.94 2chs s LEU 109 N 1.59 3.19 0.00 -1.29 1.43 -0.16 -4.04 118.68 119.41 2chs s LEU 109 Ca -0.03 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 2chs s LEU 109 Cb -0.18 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2chs s LEU 109 CO -0.07 -0.40 0.00 -0.62 0.23 0.00 0.00 176.35 175.48 2chs n GLU 110 N -1.19 0.00 0.03 1.70 -0.58 -1.26 -0.92 120.64 118.42 2chs n GLU 110 Ca -0.02 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.85 2chs n GLU 110 Cb 0.62 0.00 0.52 0.00 -0.57 0.00 0.00 31.44 32.02 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 -2.85 118.16 136.64 2chs n LYS 111 Ca 0.00 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.51 2chs n LYS 111 Cb 0.00 -1.60 0.67 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.59 2.34 0.25 7.82 0.00 -0.10 -3.59 120.51 125.64 2chs n ALA 112 Ca 0.06 -0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.51 2chs n ALA 112 Cb 0.34 -1.38 0.78 0.00 0.00 0.00 0.00 19.45 19.19 2chs n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2chs h VAL 113 N 0.00 0.00 0.00 0.00 -1.51 -1.60 -1.61 116.25 111.53 2chs h VAL 113 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2chs h VAL 113 Cb 0.03 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 2chs h VAL 113 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 177.57 176.92 2chs h VAL 114 N 0.00 0.00 -0.03 7.19 2.07 -1.86 -3.50 116.25 120.13 2chs h VAL 114 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2chs h VAL 114 Cb 0.06 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2chs h VAL 114 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77