#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 1.32 0.03 1.12 1.09 -1.26 -1.71 121.20 121.79 2chs s ILE 3 Ca 0.00 -0.65 0.01 0.00 -1.10 0.00 0.00 60.65 58.92 2chs s ILE 3 Cb 0.00 -1.14 -0.02 0.00 -1.06 0.00 0.00 42.46 40.24 2chs s ILE 3 CO 0.00 0.38 -0.06 -0.13 -0.10 0.00 0.00 174.94 175.03 2chs s ARG 4 N 0.13 0.45 0.21 2.79 1.81 0.85 -4.92 118.95 120.27 2chs s ARG 4 Ca -0.05 -0.67 -0.14 0.00 -1.72 0.00 0.00 55.73 53.14 2chs s ARG 4 Cb -0.12 -0.18 -0.08 0.00 -0.45 0.00 0.00 34.95 34.13 2chs s ARG 4 CO 0.02 0.02 0.61 0.20 -0.68 0.00 0.00 175.30 175.48 2chs s GLY 5 N -1.45 2.43 -0.08 -3.53 0.00 -1.26 -0.69 107.32 102.74 2chs s GLY 5 Ca -0.11 -0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.57 2chs s GLY 5 CO -0.00 0.17 -0.20 -0.42 0.00 0.00 0.00 173.10 172.65 2chs s ILE 6 N -1.64 1.75 0.08 0.90 1.01 0.14 -4.93 121.20 118.51 2chs s ILE 6 Ca 0.44 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2chs s ILE 6 Cb -0.14 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 2chs s ILE 6 CO 0.20 0.49 0.15 -0.13 0.00 0.00 0.00 174.94 175.65 2chs s ARG 7 N 0.34 3.14 0.12 2.79 1.81 -1.26 -0.72 118.95 125.18 2chs s ARG 7 Ca -0.15 -0.60 -0.13 0.00 -1.72 0.00 0.00 55.73 53.13 2chs s ARG 7 Cb -0.16 -2.86 0.02 0.00 -0.45 0.00 0.00 34.95 31.50 2chs s ARG 7 CO 0.06 0.57 0.33 0.20 -0.68 0.00 0.00 175.30 175.79 2chs s GLY 8 N -2.56 -0.12 -0.16 -3.53 0.00 -0.61 -1.45 107.32 98.89 2chs s GLY 8 Ca 0.32 -0.27 -0.28 0.00 0.00 0.00 0.00 44.72 44.49 2chs s GLY 8 CO 0.25 -0.49 0.74 0.00 0.00 0.00 0.00 173.10 173.61 2chs s ALA 9 N -3.83 -1.80 0.27 3.20 0.00 -0.68 -0.84 121.76 118.08 2chs s ALA 9 Ca 0.04 1.67 -0.13 0.00 0.00 0.00 0.00 51.96 53.54 2chs s ALA 9 Cb 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2chs s ALA 9 CO -0.11 -0.34 0.53 -0.08 0.00 0.00 0.00 175.76 175.76 2chs s THR 10 N -0.43 0.00 0.09 0.00 -1.32 -0.20 -0.88 115.64 112.88 2chs s THR 10 Ca -0.05 -1.34 0.05 0.00 -1.21 0.00 0.00 61.69 59.13 2chs s THR 10 Cb -0.02 -2.26 -0.03 0.00 -1.51 0.00 0.00 72.50 68.67 2chs s THR 10 CO 0.05 0.00 -0.12 0.42 -2.21 0.00 0.00 174.62 172.75 2chs s THR 11 N -3.80 1.04 0.40 5.08 -4.23 -1.26 -1.27 115.64 111.60 2chs s THR 11 Ca 0.21 -1.46 0.08 0.00 -1.18 0.00 0.00 61.69 59.34 2chs s THR 11 Cb -0.02 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 2chs s THR 11 CO 0.10 -0.38 0.24 0.68 -0.54 0.00 0.00 174.62 174.72 2chs s VAL 12 N -1.80 2.53 -0.22 2.29 -7.23 -0.35 -4.79 120.40 110.84 2chs s VAL 12 Ca 0.01 -1.58 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 2chs s VAL 12 Cb -0.07 -3.00 -0.19 0.00 0.56 0.00 0.00 36.38 33.69 2chs s VAL 12 CO 0.02 -0.03 -0.03 -0.62 -0.31 0.00 0.00 175.10 174.12 2chs n GLU 13 N -1.32 0.66 -4.22 4.82 -0.58 -1.26 -4.87 120.64 113.86 2chs n GLU 13 Ca 0.00 0.26 -0.16 0.00 -0.42 0.00 0.00 57.16 56.85 2chs n GLU 13 Cb 0.63 -1.60 -0.11 0.00 -0.57 0.00 0.00 31.44 29.80 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 -2.51 0.96 -1.25 3.49 0.52 -1.26 -5.06 118.95 113.85 2chs s ARG 14 Ca -0.32 -1.26 -0.17 0.00 -0.52 0.00 0.00 55.73 53.47 2chs s ARG 14 Cb 0.09 -0.68 0.10 0.00 0.52 0.00 0.00 34.95 34.98 2chs s ARG 14 CO 0.62 0.11 1.61 0.34 0.02 0.00 0.00 175.30 178.01 2chs s ASP 15 N -2.63 6.89 0.21 0.23 2.15 -1.26 -4.71 116.67 117.55 2chs s ASP 15 Ca 0.09 -2.57 0.09 0.00 0.43 0.00 0.00 52.55 50.59 2chs s ASP 15 Cb -0.02 -2.52 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 2chs s ASP 15 CO 0.01 -1.05 -0.16 0.42 -0.17 0.00 0.00 175.17 174.22 2chs s THR 16 N 3.37 1.90 0.14 1.71 -4.23 -1.26 -4.60 115.64 112.68 2chs s THR 16 Ca 0.49 -2.18 -0.14 0.00 -1.18 0.00 0.00 61.69 58.69 2chs s THR 16 Cb 0.01 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.81 2chs s THR 16 CO 0.04 -0.49 1.61 -0.08 -0.54 0.00 0.00 174.62 175.16 2chs h GLU 17 N 2.67 0.78 0.10 3.99 4.81 -1.92 -0.26 114.58 124.75 2chs h GLU 17 Ca -0.39 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 58.63 2chs h GLU 17 Cb 1.22 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2chs h GLU 17 CO 0.59 0.81 -0.25 1.49 -0.73 0.00 0.00 179.01 180.92 2chs h GLU 18 N 0.63 -0.43 -0.30 1.92 4.81 -1.98 -0.14 114.58 119.10 2chs h GLU 18 Ca 0.14 0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 2chs h GLU 18 Cb 0.43 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2chs h GLU 18 CO 0.01 -0.29 -0.40 1.49 -0.73 0.00 0.00 179.01 179.10 2chs h GLU 19 N -0.45 0.71 -0.11 1.92 4.81 -1.87 -1.71 114.58 117.87 2chs h GLU 19 Ca 0.03 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2chs h GLU 19 Cb 0.48 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2chs h GLU 19 CO -0.15 0.98 -0.01 0.82 -0.73 0.00 0.00 179.01 179.93 2chs h ILE 20 N 0.59 1.26 -0.52 2.32 2.04 -0.89 -1.86 117.51 120.45 2chs h ILE 20 Ca 0.05 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 2chs h ILE 20 Cb 0.94 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2chs h ILE 20 CO 0.09 0.24 -0.01 -0.07 0.00 0.00 0.00 178.15 178.40 2chs h LEU 21 N -0.08 0.91 -0.18 1.44 3.38 -0.99 -0.73 115.31 119.06 2chs h LEU 21 Ca 0.03 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2chs h LEU 21 Cb 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2chs h LEU 21 CO 0.01 0.99 0.08 -0.61 0.09 0.00 0.00 178.44 179.00 2chs h GLN 22 N 0.79 0.27 -0.07 1.13 4.15 -1.35 0.90 115.11 120.92 2chs h GLN 22 Ca 0.15 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.39 2chs h GLN 22 Cb 0.53 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2chs h GLN 22 CO 0.03 0.33 -0.53 0.87 -1.93 0.00 0.00 178.83 177.60 2chs h LYS 23 N 0.14 0.20 -0.25 1.69 1.79 -1.25 -1.64 116.57 117.26 2chs h LYS 23 Ca 0.06 -0.12 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 2chs h LYS 23 Cb 0.16 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2chs h LYS 23 CO -0.01 0.68 -0.15 1.15 -1.08 0.00 0.00 179.45 180.05 2chs h THR 24 N 0.16 1.31 -0.74 -0.16 2.02 -0.86 -2.21 112.91 112.44 2chs h THR 24 Ca 0.00 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 65.94 2chs h THR 24 Cb 0.98 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 2chs h THR 24 CO 0.08 0.39 0.48 0.50 0.37 0.00 0.00 175.52 177.34 2chs h LYS 25 N 0.25 0.97 -0.50 6.66 3.64 -0.65 -0.63 116.57 126.31 2chs h LYS 25 Ca 0.05 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2chs h LYS 25 Cb 0.67 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2chs h LYS 25 CO 0.04 0.65 -0.03 1.96 -2.27 0.00 0.00 179.45 179.80 2chs h GLN 26 N 1.00 0.87 -0.25 1.90 4.20 -1.25 -0.82 115.11 120.77 2chs h GLN 26 Ca 0.27 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2chs h GLN 26 Cb -0.10 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2chs h GLN 26 CO -0.06 0.88 0.09 1.25 -0.67 0.00 0.00 178.83 180.33 2chs h LEU 27 N 0.80 0.35 -0.02 1.46 5.85 -0.72 -2.11 115.31 120.93 2chs h LEU 27 Ca 0.15 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2chs h LEU 27 Cb 0.52 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2chs h LEU 27 CO 0.03 0.43 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.47 2chs h LEU 28 N 0.24 -0.06 -1.22 2.25 3.38 -0.85 -1.77 115.31 117.29 2chs h LEU 28 Ca 0.08 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2chs h LEU 28 Cb 0.20 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2chs h LEU 28 CO -0.01 -0.03 0.55 -0.33 0.09 0.00 0.00 178.44 178.71 2chs h GLU 29 N -0.03 0.93 -0.44 1.13 5.08 -1.05 -0.17 114.58 120.03 2chs h GLU 29 Ca 0.02 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2chs h GLU 29 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2chs h GLU 29 CO -0.04 0.62 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.14 2chs h LYS 30 N 0.96 0.93 -0.06 2.33 1.63 -1.16 -0.87 116.57 120.33 2chs h LYS 30 Ca 0.36 -0.42 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2chs h LYS 30 Cb 0.17 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2chs h LYS 30 CO -0.12 1.08 0.02 0.82 -3.45 0.00 0.00 179.45 177.79 2chs h ILE 31 N 0.77 1.16 -0.57 2.00 2.04 -0.40 -1.27 117.51 121.23 2chs h ILE 31 Ca 0.10 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.55 2chs h ILE 31 Cb 0.80 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 2chs h ILE 31 CO 0.07 0.14 0.21 0.40 0.00 0.00 0.00 178.15 178.97 2chs h ILE 32 N -0.09 0.79 0.28 -0.67 2.04 -0.99 -0.17 117.51 118.71 2chs h ILE 32 Ca 0.02 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2chs h ILE 32 Cb 0.20 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2chs h ILE 32 CO -0.00 0.07 -0.17 -0.08 0.00 0.00 0.00 178.15 177.97 2chs h GLU 33 N 0.40 -0.41 0.00 2.37 4.81 -0.87 0.36 114.58 121.24 2chs h GLU 33 Ca 0.28 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2chs h GLU 33 Cb 0.33 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2chs h GLU 33 CO -0.28 -0.27 0.00 0.93 -0.73 0.00 0.00 179.01 178.65 2chs h GLU 34 N -0.43 0.00 -0.01 1.92 5.08 -1.12 -2.23 114.58 117.78 2chs h GLU 34 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2chs h GLU 34 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2chs h GLU 34 CO 0.04 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 2chs n ASN 35 N -2.67 1.39 -3.84 1.42 3.02 -0.09 -4.78 115.26 109.72 2chs n ASN 35 Ca -0.02 -1.22 -0.30 0.00 -0.03 0.00 0.00 54.58 53.01 2chs n ASN 35 Cb 0.08 -0.01 0.02 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 0.18 -2.19 -2.52 3.10 8.25 0.12 -4.94 115.22 117.21 2chs n HIS 36 Ca 0.02 0.83 -0.40 0.00 -0.26 0.00 0.00 57.72 57.91 2chs n HIS 36 Cb 0.11 -3.80 -0.05 0.00 1.12 0.00 0.00 29.99 27.37 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 -3.25 3.63 -0.04 1.59 2.01 -0.96 -5.05 115.64 113.57 2chs s THR 37 Ca 0.63 1.61 0.05 0.00 0.31 0.00 0.00 61.69 64.29 2chs s THR 37 Cb -0.32 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 2chs s THR 37 CO 0.78 0.37 -0.19 -0.54 -0.69 0.00 0.00 174.62 174.35 2chs s LYS 38 N -1.25 2.42 0.31 4.92 -0.14 -1.26 -4.95 119.74 119.79 2chs s LYS 38 Ca 0.45 -0.78 0.08 0.00 -1.36 0.00 0.00 55.97 54.35 2chs s LYS 38 Cb -0.31 -2.27 0.84 0.00 -1.68 0.00 0.00 37.83 34.42 2chs s LYS 38 CO 0.39 0.57 1.73 -1.00 -0.76 0.00 0.00 175.35 176.28 2chs h PRO 39 N 5.50 0.57 0.00 -1.68 0.13 -1.97 -0.84 132.00 133.71 2chs h PRO 39 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2chs h PRO 39 Cb 1.15 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2chs h PRO 39 CO 0.49 0.38 0.00 -0.85 -0.23 0.00 0.00 178.00 177.79 2chs n GLU 40 N -4.89 0.14 -0.18 0.86 0.00 -1.26 -1.77 120.64 113.56 2chs n GLU 40 Ca 0.26 0.28 0.10 0.00 0.00 0.00 0.00 57.16 57.80 2chs n GLU 40 Cb 0.70 -1.73 0.27 0.00 0.00 0.00 0.00 31.44 30.69 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 -1.99 2.56 -4.58 -1.84 8.00 -0.32 -4.80 116.55 113.58 2chs n ASP 41 Ca 0.04 -1.90 -0.40 0.00 0.71 0.00 0.00 54.79 53.25 2chs n ASP 41 Cb 0.28 -0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.54 5.18 0.02 2.53 1.01 -0.73 -0.34 120.40 126.53 2chs s VAL 42 Ca 0.35 0.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.42 2chs s VAL 42 Cb 0.19 -3.72 -0.17 0.00 0.00 0.00 0.00 36.38 32.68 2chs s VAL 42 CO 0.27 0.08 1.28 0.58 0.00 0.00 0.00 175.10 177.31 2chs h VAL 43 N 5.44 0.65 -2.23 2.92 2.07 -1.07 -3.46 116.25 120.57 2chs h VAL 43 Ca -0.31 -0.51 0.15 0.00 0.82 0.00 0.00 66.70 66.85 2chs h VAL 43 Cb 1.16 0.90 -0.12 0.00 -1.52 0.00 0.00 31.29 31.70 2chs h VAL 43 CO 0.65 0.10 0.52 0.00 0.02 0.00 0.00 177.57 178.85 2chs s GLN 44 N -4.84 0.94 -0.03 1.57 -2.07 -1.20 -4.53 119.66 109.49 2chs s GLN 44 Ca -0.14 -0.44 0.01 0.00 -1.82 0.00 0.00 55.36 52.97 2chs s GLN 44 Cb 0.02 0.37 0.02 0.00 -1.09 0.00 0.00 33.01 32.33 2chs s GLN 44 CO 0.55 -0.42 -0.05 1.41 -1.32 0.00 0.00 175.29 175.46 2chs s MET 45 N -3.13 0.72 -0.13 9.60 1.75 -0.32 -0.67 119.30 127.12 2chs s MET 45 Ca 0.09 -0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.41 2chs s MET 45 Cb -0.01 -0.73 -0.01 0.00 2.84 0.00 0.00 34.83 36.92 2chs s MET 45 CO -0.04 -0.03 -0.15 -0.51 -0.65 0.00 0.00 175.02 173.64 2chs s LEU 46 N 0.66 2.57 -0.08 4.11 1.43 -0.32 -1.99 118.68 125.06 2chs s LEU 46 Ca -0.09 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2chs s LEU 46 Cb -0.12 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 2chs s LEU 46 CO 0.00 0.15 -0.15 -0.76 0.23 0.00 0.00 176.35 175.82 2chs s LEU 47 N 0.44 2.63 0.29 1.79 1.43 -0.27 -1.60 118.68 123.39 2chs s LEU 47 Ca -0.11 -0.30 0.11 0.00 -1.03 0.00 0.00 54.13 52.80 2chs s LEU 47 Cb -0.16 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2chs s LEU 47 CO 0.05 0.26 -0.17 -0.94 0.23 0.00 0.00 176.35 175.78 2chs s SER 48 N -0.20 3.58 -0.06 2.29 1.04 -0.42 -0.66 113.70 119.28 2chs s SER 48 Ca -0.00 -1.07 -0.09 0.00 0.48 0.00 0.00 55.95 55.27 2chs s SER 48 Cb -0.13 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 65.70 2chs s SER 48 CO 0.03 -0.03 0.22 0.00 0.98 0.00 0.00 173.24 174.44 2chs s ALA 49 N -2.56 -0.54 0.89 5.32 0.00 -1.05 -1.95 121.76 121.88 2chs s ALA 49 Ca 0.30 0.42 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 2chs s ALA 49 Cb -0.03 -0.20 0.13 0.00 0.00 0.00 0.00 23.12 23.02 2chs s ALA 49 CO 0.15 -0.15 1.15 0.95 0.00 0.00 0.00 175.76 177.86 2chs s THR 50 N -0.42 2.10 -2.00 0.00 -4.23 -0.90 -1.00 115.64 109.19 2chs s THR 50 Ca -0.05 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.56 2chs s THR 50 Cb -0.03 -2.12 0.19 0.00 1.34 0.00 0.00 72.50 71.87 2chs s THR 50 CO 0.01 -0.04 0.81 -0.81 -0.54 0.00 0.00 174.62 174.05 2chs n PRO 51 N -4.08 0.39 -0.15 3.99 -0.04 -1.26 -2.44 135.00 131.41 2chs n PRO 51 Ca 0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2chs n PRO 51 Cb 0.52 -1.27 0.19 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.77 3.38 -4.40 3.54 5.68 -1.26 -4.89 116.55 117.82 2chs n ASP 52 Ca 0.05 -2.00 -0.35 0.00 -0.50 0.00 0.00 54.79 52.00 2chs n ASP 52 Cb 0.02 -0.19 -0.13 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 -1.61 3.11 0.00 -2.12 1.43 -1.02 -4.88 118.68 113.59 2chs s LEU 53 Ca 0.36 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2chs s LEU 53 Cb 0.22 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.66 2chs s LEU 53 CO 0.31 0.05 0.00 1.41 0.23 0.00 0.00 176.35 178.36 2chs n HIS 54 N 4.31 0.00 -0.32 0.29 8.25 -1.26 -4.93 115.22 121.56 2chs n HIS 54 Ca -0.17 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2chs n HIS 54 Cb 0.52 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.92 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 1.64 -2.30 -1.41 0.00 -1.92 -3.46 119.26 111.82 2chs h ALA 55 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2chs h ALA 55 Cb 0.02 -0.18 -0.17 0.00 0.00 0.00 0.00 17.79 17.47 2chs h ALA 55 CO 0.00 0.11 0.25 0.54 0.00 0.00 0.00 179.25 180.15 2chs s VAL 56 N -5.84 0.00 0.08 0.00 0.11 -1.26 -4.78 120.40 108.70 2chs s VAL 56 Ca -0.11 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.63 2chs s VAL 56 Cb 0.22 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 34.00 2chs s VAL 56 CO 0.80 0.00 1.40 -0.36 -3.33 0.00 0.00 175.10 173.61 2chs s PHE 57 N -2.13 3.09 0.58 1.54 0.08 -1.26 -4.91 117.98 114.96 2chs s PHE 57 Ca -0.05 0.89 0.35 0.00 0.12 0.00 0.00 56.93 58.24 2chs s PHE 57 Cb -0.00 -3.68 1.99 0.00 -0.57 0.00 0.00 43.02 40.75 2chs s PHE 57 CO 0.01 -2.44 2.27 -1.35 -0.10 0.00 0.00 175.22 173.60 2chs h PRO 58 N 7.20 0.00 -0.10 0.24 0.11 -1.96 -2.58 132.00 134.91 2chs h PRO 58 Ca -0.41 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.73 2chs h PRO 58 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2chs h PRO 58 CO 0.88 0.02 0.10 0.00 -0.21 0.00 0.00 178.00 178.78 2chs h ALA 59 N 1.98 1.77 0.00 -0.75 0.00 -1.96 -2.32 119.26 117.98 2chs h ALA 59 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2chs h ALA 59 Cb 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2chs h ALA 59 CO 0.00 -0.15 -0.04 -0.22 0.00 0.00 0.00 179.25 178.84 2chs h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.87 -1.33 116.57 117.02 2chs h LYS 60 Ca 0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2chs h LYS 60 Cb 0.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2chs h LYS 60 CO -0.00 0.04 -0.07 0.00 -2.27 0.00 0.00 179.45 177.15 2chs h ALA 61 N 1.96 1.09 0.00 5.00 0.00 -1.67 -3.08 119.26 122.56 2chs h ALA 61 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2chs h ALA 61 Cb 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2chs h ALA 61 CO 0.01 0.09 -0.58 0.28 0.00 0.00 0.00 179.25 179.04 2chs h VAL 62 N 0.00 1.41 -0.00 0.00 2.07 -1.43 -2.73 116.25 115.57 2chs h VAL 62 Ca -0.00 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.52 2chs h VAL 62 Cb 0.39 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2chs h VAL 62 CO 0.01 0.57 -0.02 0.54 0.02 0.00 0.00 177.57 178.69 2chs n ARG 63 N -3.84 0.84 0.14 1.57 1.74 -1.16 -1.99 116.66 113.96 2chs n ARG 63 Ca -0.01 -0.11 0.12 0.00 -0.77 0.00 0.00 57.85 57.08 2chs n ARG 63 Cb 0.59 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.80 2chs n ARG 63 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2chs h GLU 64 N 0.28 0.00 -5.87 5.56 5.08 -1.64 -3.43 114.58 114.56 2chs h GLU 64 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2chs h GLU 64 Cb 0.18 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 2chs h GLU 64 CO 0.00 0.00 0.30 -0.51 -1.00 0.00 0.00 179.01 177.80 2chs s LEU 65 N -5.12 4.18 0.11 1.33 1.43 -0.84 -5.01 118.68 114.76 2chs s LEU 65 Ca 0.08 1.08 -0.31 0.00 -1.03 0.00 0.00 54.13 53.95 2chs s LEU 65 Cb 0.10 -3.13 -0.09 0.00 0.03 0.00 0.00 46.19 43.09 2chs s LEU 65 CO 0.65 -0.35 1.65 -0.44 0.23 0.00 0.00 176.35 178.09 2chs s SER 66 N 1.15 6.57 0.00 2.29 0.01 -1.26 -2.90 113.70 119.55 2chs s SER 66 Ca 0.36 2.58 0.00 0.00 1.31 0.00 0.00 55.95 60.20 2chs s SER 66 Cb -0.16 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2chs s SER 66 CO 0.12 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.50 2chs n GLY 67 N 3.94 3.16 0.47 3.44 0.00 -1.26 -4.91 105.19 110.03 2chs n GLY 67 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.42 0.21 0.26 1.61 7.02 -1.14 -4.50 117.44 119.47 2chs n TRP 68 Ca 0.00 -0.11 0.14 0.00 -1.02 0.00 0.00 57.50 56.52 2chs n TRP 68 Cb 0.00 0.00 0.71 0.00 -2.42 0.00 0.00 31.31 29.60 2chs n TRP 68 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 2chs h GLN 69 N 1.81 0.00 -0.06 -0.99 -0.00 -1.86 -2.40 115.11 111.60 2chs h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2chs h GLN 69 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 2chs h GLN 69 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.49 2chs n TYR 70 N -2.50 0.06 -2.16 0.06 4.01 -1.26 -4.97 117.16 110.39 2chs n TYR 70 Ca -0.01 -0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.27 2chs n TYR 70 Cb 0.11 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.11 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 -1.44 3.72 -0.01 -0.72 1.01 -0.91 -4.98 120.40 117.08 2chs s VAL 71 Ca 0.22 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 2chs s VAL 71 Cb 0.15 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2chs s VAL 71 CO 0.22 -0.05 1.31 -2.84 0.00 0.00 0.00 175.10 173.75 2chs s PRO 72 N 3.15 4.32 0.03 2.72 0.02 -1.26 -4.96 135.00 139.03 2chs s PRO 72 Ca 0.66 1.85 0.03 0.00 0.02 0.00 0.00 61.00 63.56 2chs s PRO 72 Cb -0.31 -3.53 -0.02 0.00 0.02 0.00 0.00 34.50 30.67 2chs s PRO 72 CO 0.26 -0.49 -0.10 0.14 -0.33 0.00 0.00 177.00 176.48 2chs s VAL 73 N 2.12 0.74 0.06 3.83 -7.23 -1.26 -1.18 120.40 117.48 2chs s VAL 73 Ca 0.61 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.73 2chs s VAL 73 Cb -0.29 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 35.95 2chs s VAL 73 CO 0.25 -0.15 0.32 0.28 -0.31 0.00 0.00 175.10 175.50 2chs s THR 74 N -0.96 0.08 0.26 5.32 -1.32 -0.84 -4.97 115.64 113.22 2chs s THR 74 Ca -0.03 -0.67 0.09 0.00 -1.21 0.00 0.00 61.69 59.86 2chs s THR 74 Cb -0.08 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 2chs s THR 74 CO 0.01 -0.37 0.08 0.00 -2.21 0.00 0.00 174.62 172.12 2chs s MET 76 N -3.74 1.04 -0.02 0.00 0.23 0.17 -4.90 119.30 112.07 2chs s MET 76 Ca 0.32 -1.01 -0.20 0.00 -1.03 0.00 0.00 55.69 53.78 2chs s MET 76 Cb -0.07 0.38 -0.05 0.00 -1.53 0.00 0.00 34.83 33.56 2chs s MET 76 CO 0.22 -0.37 0.56 -1.14 -2.03 0.00 0.00 175.02 172.25 2chs s GLN 77 N -3.90 4.28 0.49 3.16 0.74 -1.26 -2.52 119.66 120.64 2chs s GLN 77 Ca 0.10 0.65 -0.22 0.00 0.05 0.00 0.00 55.36 55.95 2chs s GLN 77 Cb 0.03 -3.35 -0.07 0.00 1.10 0.00 0.00 33.01 30.73 2chs s GLN 77 CO -0.06 0.36 1.14 -2.00 -0.55 0.00 0.00 175.29 174.18 2chs s GLU 78 N -0.14 3.63 0.22 1.67 2.56 -0.17 -4.84 118.70 121.64 2chs s GLU 78 Ca 0.29 1.68 -0.30 0.00 0.00 0.00 0.00 54.97 56.65 2chs s GLU 78 Cb -0.18 -2.25 -0.08 0.00 2.00 0.00 0.00 34.13 33.62 2chs s GLU 78 CO 0.16 -0.63 1.09 0.00 -0.56 0.00 0.00 175.26 175.32 2chs s MET 79 N -2.92 4.63 -0.48 4.30 0.23 -1.26 -4.55 119.30 119.24 2chs s MET 79 Ca 0.67 1.74 -0.27 0.00 -1.03 0.00 0.00 55.69 56.80 2chs s MET 79 Cb -0.26 -3.24 0.03 0.00 -1.53 0.00 0.00 34.83 29.83 2chs s MET 79 CO 0.31 0.15 1.02 0.34 -2.03 0.00 0.00 175.02 174.81 2chs s ASP 80 N -0.48 6.53 -0.02 -1.18 2.15 -1.26 -4.99 116.67 117.43 2chs s ASP 80 Ca 0.47 0.21 0.06 0.00 0.43 0.00 0.00 52.55 53.72 2chs s ASP 80 Cb -0.30 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 39.81 2chs s ASP 80 CO 0.37 -1.17 -0.20 -0.69 -0.17 0.00 0.00 175.17 173.31 2chs s VAL 81 N 4.11 1.58 -0.09 1.11 1.01 -1.26 -5.07 120.40 121.79 2chs s VAL 81 Ca 0.41 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 2chs s VAL 81 Cb -0.09 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2chs s VAL 81 CO 0.28 0.45 1.47 -0.89 0.00 0.00 0.00 175.10 176.41 2chs s THR 82 N -0.47 3.87 0.00 3.92 2.01 -1.26 -1.38 115.64 122.34 2chs s THR 82 Ca 0.08 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.16 2chs s THR 82 Cb -0.08 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.74 2chs s THR 82 CO -0.01 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 2chs n GLY 83 N 3.88 0.55 3.81 4.40 0.00 -1.26 -5.06 105.19 111.51 2chs n GLY 83 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.37 2.48 0.26 -0.02 0.00 -0.48 -4.98 107.32 103.21 2chs s GLY 84 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.90 2chs s GLY 84 CO 0.00 0.80 1.36 1.04 0.00 0.00 0.00 173.10 176.30 2chs n LEU 85 N -0.56 3.10 -4.88 0.66 4.32 -1.26 -4.95 117.00 113.43 2chs n LEU 85 Ca 0.07 1.16 -0.29 0.00 -0.02 0.00 0.00 56.01 56.92 2chs n LEU 85 Cb 0.53 -1.43 -0.02 0.00 -1.62 0.00 0.00 43.42 40.89 2chs n LEU 85 CO 0.39 -0.54 0.49 -0.54 -1.22 0.00 0.00 177.39 175.97 2chs s LYS 86 N -0.74 3.68 -1.43 3.23 -0.14 -1.26 -4.40 119.74 118.68 2chs s LYS 86 Ca 0.65 0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 55.66 2chs s LYS 86 Cb -0.64 -2.33 0.03 0.00 -1.68 0.00 0.00 37.83 33.20 2chs s LYS 86 CO 0.53 -0.17 0.58 1.63 -0.76 0.00 0.00 175.35 177.15 2chs n LYS 87 N -1.84 -3.87 -4.76 1.68 5.02 -1.26 -4.84 118.16 108.30 2chs n LYS 87 Ca 0.02 0.47 -0.33 0.00 -2.02 0.00 0.00 58.31 56.45 2chs n LYS 87 Cb 0.54 -4.84 -0.14 0.00 -0.02 0.00 0.00 35.03 30.57 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 0.32 4.20 0.06 0.00 1.09 -0.40 -2.11 121.20 124.36 2chs s ILE 89 Ca -0.10 -0.24 0.08 0.00 -1.10 0.00 0.00 60.65 59.29 2chs s ILE 89 Cb -0.16 -2.89 -0.03 0.00 -1.06 0.00 0.00 42.46 38.32 2chs s ILE 89 CO 0.05 0.45 -0.18 -0.13 -0.10 0.00 0.00 174.94 175.03 2chs s ARG 90 N 0.69 1.97 0.04 2.79 0.52 -0.82 -1.04 118.95 123.10 2chs s ARG 90 Ca 0.01 -1.04 0.04 0.00 -0.52 0.00 0.00 55.73 54.21 2chs s ARG 90 Cb -0.14 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 2chs s ARG 90 CO 0.02 0.52 -0.12 0.54 0.02 0.00 0.00 175.30 176.28 2chs s VAL 91 N -0.98 0.98 -0.22 3.52 0.11 -0.02 -1.29 120.40 122.48 2chs s VAL 91 Ca 0.15 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2chs s VAL 91 Cb -0.10 -0.90 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 2chs s VAL 91 CO 0.06 -0.03 -0.01 -0.32 -3.33 0.00 0.00 175.10 171.47 2chs s MET 92 N -1.10 1.17 -0.12 1.54 1.75 -0.63 -1.57 119.30 120.33 2chs s MET 92 Ca 0.00 -0.77 -0.03 0.00 -1.25 0.00 0.00 55.69 53.65 2chs s MET 92 Cb -0.08 -2.37 -0.03 0.00 2.84 0.00 0.00 34.83 35.20 2chs s MET 92 CO 0.01 -0.64 -0.02 1.41 -0.65 0.00 0.00 175.02 175.13 2chs s MET 93 N 1.60 3.37 -0.21 4.11 1.75 0.10 -1.18 119.30 128.84 2chs s MET 93 Ca -0.03 -0.47 -0.03 0.00 -1.25 0.00 0.00 55.69 53.92 2chs s MET 93 Cb -0.18 -2.86 -0.00 0.00 2.84 0.00 0.00 34.83 34.62 2chs s MET 93 CO -0.08 0.45 -0.08 0.99 -0.65 0.00 0.00 175.02 175.65 2chs s THR 94 N -0.19 3.05 0.14 10.11 2.01 0.16 0.27 115.64 131.19 2chs s THR 94 Ca 0.04 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.49 2chs s THR 94 Cb -0.13 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2chs s THR 94 CO 0.02 0.45 -0.12 0.68 -0.69 0.00 0.00 174.62 174.97 2chs s VAL 95 N 1.41 1.25 -0.45 3.82 -7.23 0.13 -0.45 120.40 118.88 2chs s VAL 95 Ca 0.05 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.10 2chs s VAL 95 Cb -0.14 -1.71 0.03 0.00 0.56 0.00 0.00 36.38 35.11 2chs s VAL 95 CO -0.05 -0.61 0.62 -1.58 -0.31 0.00 0.00 175.10 173.16 2chs s GLN 96 N -3.31 3.23 0.08 4.82 0.74 0.53 -0.11 119.66 125.65 2chs s GLN 96 Ca 0.14 -0.51 -0.13 0.00 0.05 0.00 0.00 55.36 54.91 2chs s GLN 96 Cb -0.01 -3.98 0.02 0.00 1.10 0.00 0.00 33.01 30.14 2chs s GLN 96 CO 0.02 -1.03 0.30 -0.08 -0.55 0.00 0.00 175.29 173.94 2chs s THR 97 N 2.72 0.10 -1.27 -0.34 -1.32 -0.69 -4.94 115.64 109.90 2chs s THR 97 Ca 0.20 -0.80 0.12 0.00 -1.21 0.00 0.00 61.69 60.00 2chs s THR 97 Cb -0.15 -1.13 0.25 0.00 -1.51 0.00 0.00 72.50 69.96 2chs s THR 97 CO 0.17 -0.44 1.14 0.47 -2.21 0.00 0.00 174.62 173.74 2chs n ASP 98 N 0.14 2.66 -4.77 8.08 8.00 -1.26 0.22 116.55 129.62 2chs n ASP 98 Ca -0.17 -1.81 -0.40 0.00 0.71 0.00 0.00 54.79 53.12 2chs n ASP 98 Cb 0.62 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 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 -1.02 2.42 0.73 2.53 1.01 -1.26 -4.85 120.40 119.96 2chs s VAL 99 Ca 0.22 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 2chs s VAL 99 Cb 0.12 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 33.29 2chs s VAL 99 CO 0.17 0.08 1.10 -2.16 0.00 0.00 0.00 175.10 174.29 2chs s PRO 100 N -2.10 2.46 0.22 2.72 0.04 -1.26 -4.91 135.00 132.17 2chs s PRO 100 Ca 0.54 1.24 -0.08 0.00 0.04 0.00 0.00 61.00 62.75 2chs s PRO 100 Cb -0.42 -1.92 0.33 0.00 0.04 0.00 0.00 34.50 32.53 2chs s PRO 100 CO 0.55 -1.49 1.76 0.37 0.04 0.00 0.00 177.00 178.23 2chs h GLN 101 N -0.70 0.50 0.00 4.56 4.15 -1.98 0.76 115.11 122.40 2chs h GLN 101 Ca -0.45 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.94 2chs h GLN 101 Cb 1.24 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2chs h GLN 101 CO 0.52 0.33 0.00 -0.40 -1.93 0.00 0.00 178.83 177.36 2chs n ASP 102 N -4.92 0.00 -0.58 -0.69 5.75 -1.26 -2.79 116.55 112.06 2chs n ASP 102 Ca 0.10 -0.63 0.09 0.00 -0.01 0.00 0.00 54.79 54.34 2chs n ASP 102 Cb 0.29 -0.09 0.04 0.00 -1.03 0.00 0.00 41.12 40.33 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 -1.09 1.53 -2.11 0.11 6.02 0.23 -4.98 117.38 117.09 2chs n GLN 103 Ca 0.18 -1.27 -0.41 0.00 -0.01 0.00 0.00 57.00 55.49 2chs n GLN 103 Cb 0.13 -1.32 -0.02 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 -1.66 2.77 -0.52 5.09 -1.09 -1.00 -4.93 121.20 119.86 2chs s ILE 104 Ca 0.18 0.73 -0.14 0.00 -2.23 0.00 0.00 60.65 59.19 2chs s ILE 104 Cb 0.14 -3.46 0.12 0.00 -1.58 0.00 0.00 42.46 37.68 2chs s ILE 104 CO 0.30 0.15 0.45 -0.13 -1.23 0.00 0.00 174.94 174.48 2chs s ARG 105 N -1.25 2.85 0.22 2.79 0.52 -1.26 -5.06 118.95 117.75 2chs s ARG 105 Ca 0.52 -1.71 -0.27 0.00 -0.52 0.00 0.00 55.73 53.75 2chs s ARG 105 Cb -0.40 -4.19 -0.09 0.00 0.52 0.00 0.00 34.95 30.80 2chs s ARG 105 CO 0.49 -1.28 0.86 -1.01 0.02 0.00 0.00 175.30 174.38 2chs s HIS 106 N 1.53 3.89 -0.10 -0.53 3.76 -1.26 -4.81 115.29 117.78 2chs s HIS 106 Ca 0.04 1.75 0.03 0.00 -0.15 0.00 0.00 55.06 56.73 2chs s HIS 106 Cb -0.29 -2.87 -0.01 0.00 1.11 0.00 0.00 32.58 30.53 2chs s HIS 106 CO 0.02 0.44 -0.20 0.08 -0.85 0.00 0.00 174.74 174.23 2chs s VAL 107 N -1.25 2.49 -0.15 -0.90 1.01 -0.52 -4.99 120.40 116.08 2chs s VAL 107 Ca 0.40 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2chs s VAL 107 Cb -0.23 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2chs s VAL 107 CO 0.28 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.57 2chs s TYR 108 N 0.14 1.53 0.40 5.22 2.02 -1.26 -1.69 117.35 123.71 2chs s TYR 108 Ca -0.10 -0.92 0.07 0.00 -0.37 0.00 0.00 57.07 55.76 2chs s TYR 108 Cb -0.16 -1.24 -0.07 0.00 -0.40 0.00 0.00 41.96 40.09 2chs s TYR 108 CO 0.06 -0.57 0.04 -0.51 -1.57 0.00 0.00 175.55 173.00 2chs s LEU 109 N 1.69 2.93 0.00 -1.29 1.43 -0.06 -4.21 118.68 119.16 2chs s LEU 109 Ca 0.02 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.85 2chs s LEU 109 Cb -0.14 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.02 2chs s LEU 109 CO -0.08 -0.44 0.00 -0.62 0.23 0.00 0.00 176.35 175.44 2chs n GLU 110 N -1.02 0.00 0.00 1.70 -0.58 -1.26 -0.12 120.64 119.36 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 0.66 0.00 0.58 0.00 -0.57 0.00 0.00 31.44 32.11 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 0.32 -0.01 3.49 5.02 -1.26 -2.35 118.16 137.37 2chs n LYS 111 Ca 0.00 0.07 0.14 0.00 -2.02 0.00 0.00 58.31 56.50 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 -1.29 2.64 0.30 7.82 0.00 0.83 -3.30 120.51 127.50 2chs n ALA 112 Ca 0.11 -0.26 0.17 0.00 0.00 0.00 0.00 53.44 53.46 2chs n ALA 112 Cb 0.19 -1.37 0.96 0.00 0.00 0.00 0.00 19.45 19.23 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 0.66 0.42 0.00 0.00 -1.51 -1.34 -1.33 116.25 113.14 2chs h VAL 113 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2chs h VAL 113 Cb 0.14 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 2chs h VAL 113 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 177.57 176.89 2chs n VAL 114 N -3.69 0.99 0.97 7.19 3.14 -1.21 -5.01 118.33 120.71 2chs n VAL 114 Ca -0.03 0.46 0.12 0.00 -2.96 0.00 0.00 64.34 61.93 2chs n VAL 114 Cb 0.11 -1.42 0.10 0.00 -1.06 0.00 0.00 33.84 31.57 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55