#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1com s ILE 3 N 0.00 1.58 0.04 1.12 -1.09 -1.26 -0.31 121.20 121.29 1com s ILE 3 Ca 0.00 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 1com s ILE 3 Cb 0.00 -1.34 -0.03 0.00 -1.58 0.00 0.00 42.46 39.51 1com s ILE 3 CO 0.00 0.45 -0.04 -0.13 -1.23 0.00 0.00 174.94 173.99 1com s ARG 4 N -0.19 0.50 -0.11 2.79 1.81 0.10 -4.89 118.95 118.97 1com s ARG 4 Ca 0.01 -0.91 -0.12 0.00 -1.72 0.00 0.00 55.73 52.99 1com s ARG 4 Cb -0.10 0.04 -0.05 0.00 -0.45 0.00 0.00 34.95 34.39 1com s ARG 4 CO 0.01 -0.05 0.26 0.20 -0.68 0.00 0.00 175.30 175.04 1com s GLY 5 N -2.12 2.25 -0.14 -3.53 0.00 -1.26 -0.29 107.32 102.23 1com s GLY 5 Ca -0.05 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.22 1com s GLY 5 CO -0.04 0.07 -0.19 -0.42 0.00 0.00 0.00 173.10 172.52 1com s ILE 6 N -0.43 1.86 0.16 0.90 1.01 0.80 -4.94 121.20 120.56 1com s ILE 6 Ca 0.17 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1com s ILE 6 Cb -0.13 -1.68 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 1com s ILE 6 CO 0.06 0.51 0.45 -0.13 0.00 0.00 0.00 174.94 175.83 1com s ARG 7 N 1.07 3.74 0.09 2.79 1.81 -1.26 -0.30 118.95 126.89 1com s ARG 7 Ca -0.02 0.13 -0.14 0.00 -1.72 0.00 0.00 55.73 53.99 1com s ARG 7 Cb -0.14 -2.82 0.02 0.00 -0.45 0.00 0.00 34.95 31.56 1com s ARG 7 CO -0.06 0.44 0.32 0.20 -0.68 0.00 0.00 175.30 175.52 1com s GLY 8 N -2.21 -0.14 0.05 -3.53 0.00 -0.54 -1.52 107.32 99.44 1com s GLY 8 Ca 0.41 -0.19 -0.20 0.00 0.00 0.00 0.00 44.72 44.74 1com s GLY 8 CO 0.22 -0.42 0.47 0.00 0.00 0.00 0.00 173.10 173.36 1com s ALA 9 N -3.52 -1.17 0.28 3.20 0.00 -0.36 -0.32 121.76 119.86 1com s ALA 9 Ca 0.02 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.22 1com s ALA 9 Cb 0.02 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.55 1com s ALA 9 CO -0.10 -0.49 0.67 -0.08 0.00 0.00 0.00 175.76 175.76 1com s THR 10 N -2.54 0.00 0.08 0.00 -1.32 -0.55 -1.39 115.64 109.91 1com s THR 10 Ca -0.05 -1.08 0.06 0.00 -1.21 0.00 0.00 61.69 59.41 1com s THR 10 Cb -0.01 -2.05 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 1com s THR 10 CO -0.03 0.00 -0.16 0.42 -2.21 0.00 0.00 174.62 172.65 1com s THR 11 N -3.92 1.24 0.25 5.08 -4.23 -1.26 -0.41 115.64 112.39 1com s THR 11 Ca 0.13 -1.34 0.07 0.00 -1.18 0.00 0.00 61.69 59.37 1com s THR 11 Cb -0.05 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 1com s THR 11 CO 0.07 -0.18 0.20 0.68 -0.54 0.00 0.00 174.62 174.85 1com s VAL 12 N -1.23 4.46 -0.03 2.29 -7.23 -0.16 -4.87 120.40 113.64 1com s VAL 12 Ca -0.00 -1.38 0.12 0.00 -1.81 0.00 0.00 61.98 58.91 1com s VAL 12 Cb -0.10 -3.41 -0.20 0.00 0.56 0.00 0.00 36.38 33.23 1com s VAL 12 CO 0.03 -0.34 0.84 -0.33 -0.31 0.00 0.00 175.10 174.99 1com h GLU 13 N 1.54 0.00 -3.76 4.82 4.39 -1.95 -3.46 114.58 116.16 1com h GLU 13 Ca -0.49 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.05 1com h GLU 13 Cb 1.24 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.67 1com h GLU 13 CO 0.61 0.56 -0.61 1.03 -1.16 0.00 0.00 179.01 179.44 1com s ARG 14 N -2.68 0.36 -1.13 2.33 0.52 -1.26 -5.06 118.95 112.02 1com s ARG 14 Ca -0.03 -0.46 -0.21 0.00 -0.52 0.00 0.00 55.73 54.51 1com s ARG 14 Cb 0.08 0.14 0.03 0.00 0.52 0.00 0.00 34.95 35.73 1com s ARG 14 CO 0.82 -0.07 1.67 0.34 0.02 0.00 0.00 175.30 178.07 1com s ASP 15 N -1.29 6.33 0.03 0.23 2.15 -1.26 -4.68 116.67 118.18 1com s ASP 15 Ca -0.14 -1.78 0.00 0.00 0.43 0.00 0.00 52.55 51.07 1com s ASP 15 Cb -0.08 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 1com s ASP 15 CO 0.00 -1.68 -0.04 0.28 -0.17 0.00 0.00 175.17 173.56 1com s THR 16 N 5.89 0.21 0.15 1.71 -1.32 -1.26 -4.72 115.64 116.30 1com s THR 16 Ca 0.54 -1.11 -0.17 0.00 -1.21 0.00 0.00 61.69 59.74 1com s THR 16 Cb 0.01 -0.56 0.03 0.00 -1.51 0.00 0.00 72.50 70.47 1com s THR 16 CO 0.00 -0.58 1.72 -0.08 -2.21 0.00 0.00 174.62 173.48 1com h GLU 17 N 4.33 0.16 -0.24 7.08 4.81 -1.90 -0.89 114.58 127.92 1com h GLU 17 Ca -0.33 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1com h GLU 17 Cb 1.20 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1com h GLU 17 CO 0.46 0.10 -0.11 0.93 -0.73 0.00 0.00 179.01 179.66 1com h GLU 18 N 0.16 -0.07 -0.15 1.92 3.07 -1.96 -0.37 114.58 117.18 1com h GLU 18 Ca 0.16 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1com h GLU 18 Cb 0.20 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1com h GLU 18 CO -0.23 -0.05 -0.09 0.93 -1.40 0.00 0.00 179.01 178.18 1com h GLU 19 N -0.07 0.33 -0.42 2.33 5.08 -1.84 -0.37 114.58 119.62 1com h GLU 19 Ca 0.13 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1com h GLU 19 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1com h GLU 19 CO -0.29 0.66 0.20 0.82 -1.00 0.00 0.00 179.01 179.40 1com h ILE 20 N -0.01 1.17 -0.51 3.13 2.04 -0.84 0.12 117.51 122.61 1com h ILE 20 Ca 0.03 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.31 1com h ILE 20 Cb 0.57 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1com h ILE 20 CO 0.02 0.19 -0.04 -0.07 0.00 0.00 0.00 178.15 178.25 1com h LEU 21 N 0.53 0.87 -0.08 1.44 3.38 -1.01 -1.86 115.31 118.58 1com h LEU 21 Ca 0.14 -0.24 -0.22 0.00 0.09 0.00 0.00 57.88 57.65 1com h LEU 21 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1com h LEU 21 CO -0.02 0.95 -1.02 1.56 0.09 0.00 0.00 178.44 180.00 1com h GLN 22 N 0.81 0.17 -0.22 1.13 4.20 -0.69 -1.86 115.11 118.65 1com h GLN 22 Ca 0.14 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1com h GLN 22 Cb 0.55 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1com h GLN 22 CO 0.03 1.05 -0.23 0.87 -0.67 0.00 0.00 178.83 179.88 1com h LYS 23 N 0.07 0.55 -0.85 1.46 1.79 -0.64 -2.21 116.57 116.73 1com h LYS 23 Ca -0.06 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.08 1com h LYS 23 Cb 1.72 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 32.34 1com h LYS 23 CO 0.16 0.88 0.41 1.15 -1.08 0.00 0.00 179.45 180.96 1com h THR 24 N 0.24 1.26 0.02 -0.16 2.02 -1.41 -1.35 112.91 113.53 1com h THR 24 Ca 0.03 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.50 1com h THR 24 Cb 0.78 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1com h THR 24 CO 0.06 0.31 -0.12 0.50 0.37 0.00 0.00 175.52 176.64 1com h LYS 25 N 1.21 -0.21 -0.65 6.66 3.64 -1.24 -1.42 116.57 124.56 1com h LYS 25 Ca 0.29 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.73 1com h LYS 25 Cb 0.12 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1com h LYS 25 CO -0.04 -0.14 0.37 1.96 -2.27 0.00 0.00 179.45 179.34 1com h GLN 26 N -0.22 0.69 0.46 1.90 4.20 -1.25 -0.24 115.11 120.64 1com h GLN 26 Ca 0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1com h GLN 26 Cb 0.26 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1com h GLN 26 CO -0.10 0.46 -0.22 1.25 -0.67 0.00 0.00 178.83 179.54 1com h LEU 27 N 0.71 -0.52 -0.85 1.46 5.85 -0.78 -0.57 115.31 120.61 1com h LEU 27 Ca 0.28 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1com h LEU 27 Cb 0.12 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1com h LEU 27 CO -0.15 -0.31 0.55 -0.07 -0.34 0.00 0.00 178.44 178.12 1com h LEU 28 N -0.70 0.94 -0.74 2.25 3.38 -1.12 0.21 115.31 119.54 1com h LEU 28 Ca -0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1com h LEU 28 Cb 0.51 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1com h LEU 28 CO 0.10 0.66 0.43 -0.33 0.09 0.00 0.00 178.44 179.40 1com h GLU 29 N 1.10 1.02 -0.14 1.13 5.08 -0.91 0.18 114.58 122.04 1com h GLU 29 Ca 0.33 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1com h GLU 29 Cb -0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1com h GLU 29 CO -0.10 0.73 -0.40 -0.22 -1.00 0.00 0.00 179.01 178.03 1com h LYS 30 N 1.02 0.30 -0.29 2.33 1.63 -0.29 -0.63 116.57 120.63 1com h LYS 30 Ca 0.26 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1com h LYS 30 Cb -0.01 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1com h LYS 30 CO -0.05 0.65 -0.10 0.82 -3.45 0.00 0.00 179.45 177.33 1com h ILE 31 N 0.25 1.29 -0.68 2.00 2.04 -0.04 -1.19 117.51 121.18 1com h ILE 31 Ca 0.02 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1com h ILE 31 Cb 0.82 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1com h ILE 31 CO 0.06 0.37 0.29 0.40 0.00 0.00 0.00 178.15 179.27 1com h ILE 32 N 0.34 1.23 -0.19 -0.67 2.04 -0.36 0.10 117.51 120.01 1com h ILE 32 Ca 0.07 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 1com h ILE 32 Cb 0.60 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1com h ILE 32 CO 0.03 0.28 -0.05 -0.08 0.00 0.00 0.00 178.15 178.34 1com h GLU 33 N 0.97 0.36 -0.16 2.37 4.81 -1.00 0.66 114.58 122.59 1com h GLU 33 Ca 0.23 -0.14 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 1com h GLU 33 Cb 0.16 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1com h GLU 33 CO -0.02 0.62 -0.61 0.93 -0.73 0.00 0.00 179.01 179.20 1com h GLU 34 N 0.07 0.70 -0.01 1.92 4.39 -0.84 -3.25 114.58 117.56 1com h GLU 34 Ca 0.05 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1com h GLU 34 Cb 0.49 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1com h GLU 34 CO 0.02 1.15 -0.37 0.09 -1.16 0.00 0.00 179.01 178.74 1com n ASN 35 N -4.08 1.33 -3.59 1.42 3.02 0.32 -4.91 115.26 108.77 1com n ASN 35 Ca -0.07 -1.07 -0.21 0.00 -0.03 0.00 0.00 54.58 53.20 1com n ASN 35 Cb 0.66 0.29 0.05 0.00 -0.61 0.00 0.00 39.78 40.16 1com n ASN 35 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1com n HIS 36 N -0.51 -2.03 -2.88 3.10 8.25 0.22 -4.94 115.22 116.43 1com n HIS 36 Ca 0.11 0.81 -0.40 0.00 -0.26 0.00 0.00 57.72 57.97 1com n HIS 36 Cb 0.39 -4.35 -0.05 0.00 1.12 0.00 0.00 29.99 27.09 1com n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1com s THR 37 N -3.56 4.47 -0.05 1.59 2.01 -0.68 -5.04 115.64 114.39 1com s THR 37 Ca 0.13 1.84 -0.00 0.00 0.31 0.00 0.00 61.69 63.96 1com s THR 37 Cb -0.03 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1com s THR 37 CO 0.79 0.42 0.00 -0.54 -0.69 0.00 0.00 174.62 174.61 1com s LYS 38 N -0.51 2.91 0.54 4.92 -0.14 -1.26 -4.94 119.74 121.26 1com s LYS 38 Ca 0.40 -0.49 0.27 0.00 -1.36 0.00 0.00 55.97 54.79 1com s LYS 38 Cb -0.23 -2.75 1.44 0.00 -1.68 0.00 0.00 37.83 34.61 1com s LYS 38 CO 0.27 0.67 1.98 -1.00 -0.76 0.00 0.00 175.35 176.51 1com h PRO 39 N 4.80 0.00 -0.01 -1.68 0.13 -1.94 -0.67 132.00 132.62 1com h PRO 39 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1com h PRO 39 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1com h PRO 39 CO 0.56 0.00 -0.05 -0.85 -0.23 0.00 0.00 178.00 177.43 1com n GLU 40 N -4.24 1.29 -0.04 0.86 0.00 -1.26 -2.84 120.64 114.41 1com n GLU 40 Ca 0.10 -0.62 0.09 0.00 0.00 0.00 0.00 57.16 56.73 1com n GLU 40 Cb 0.63 -1.49 0.10 0.00 0.00 0.00 0.00 31.44 30.68 1com n GLU 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1com n ASP 41 N -0.31 2.61 -4.67 -1.84 8.00 -0.26 -4.91 116.55 115.17 1com n ASP 41 Ca 0.18 -1.77 -0.38 0.00 0.71 0.00 0.00 54.79 53.53 1com n ASP 41 Cb 0.30 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.27 1com n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1com s VAL 42 N -1.39 5.20 -0.05 2.53 1.01 -1.13 -0.54 120.40 126.02 1com s VAL 42 Ca 0.23 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 62.69 1com s VAL 42 Cb 0.15 -3.73 -0.18 0.00 0.00 0.00 0.00 36.38 32.62 1com s VAL 42 CO 0.22 0.25 1.00 0.58 0.00 0.00 0.00 175.10 177.15 1com h VAL 43 N 5.03 1.13 -1.73 2.92 2.07 -1.37 -3.47 116.25 120.83 1com h VAL 43 Ca -0.36 -1.26 0.27 0.00 0.82 0.00 0.00 66.70 66.17 1com h VAL 43 Cb 1.16 1.88 -0.11 0.00 -1.52 0.00 0.00 31.29 32.70 1com h VAL 43 CO 0.72 0.29 0.72 0.00 0.02 0.00 0.00 177.57 179.31 1com s GLN 44 N -3.58 0.64 -0.00 1.57 -2.07 -1.22 -4.52 119.66 110.47 1com s GLN 44 Ca -0.14 -0.34 -0.01 0.00 -1.82 0.00 0.00 55.36 53.04 1com s GLN 44 Cb 0.00 0.22 -0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1com s GLN 44 CO 0.57 -0.29 0.03 1.41 -1.32 0.00 0.00 175.29 175.68 1com s MET 45 N -2.70 0.14 -0.08 9.60 -2.45 -0.53 -0.57 119.30 122.72 1com s MET 45 Ca 0.13 -0.15 0.05 0.00 -1.25 0.00 0.00 55.69 54.47 1com s MET 45 Cb 0.03 0.06 -0.00 0.00 1.25 0.00 0.00 34.83 36.16 1com s MET 45 CO -0.02 -0.02 -0.23 -0.51 1.05 0.00 0.00 175.02 175.28 1com s LEU 46 N -0.46 2.05 -0.11 4.11 1.43 0.14 -1.90 118.68 123.94 1com s LEU 46 Ca -0.05 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1com s LEU 46 Cb -0.03 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.87 1com s LEU 46 CO -0.00 0.19 -0.17 -0.76 0.23 0.00 0.00 176.35 175.84 1com s LEU 47 N 0.12 1.80 0.10 1.79 1.43 0.02 -1.21 118.68 122.73 1com s LEU 47 Ca -0.11 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1com s LEU 47 Cb -0.16 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1com s LEU 47 CO 0.06 0.04 0.00 -0.94 0.23 0.00 0.00 176.35 175.74 1com s SER 48 N 0.88 5.02 -0.03 2.29 1.04 0.20 -1.06 113.70 122.04 1com s SER 48 Ca -0.08 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.21 1com s SER 48 Cb -0.15 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.77 1com s SER 48 CO -0.00 0.16 -0.21 0.00 0.98 0.00 0.00 173.24 174.17 1com s ALA 49 N -1.36 1.77 0.67 5.32 0.00 -1.00 -1.31 121.76 125.85 1com s ALA 49 Ca 0.26 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 51.17 1com s ALA 49 Cb -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1com s ALA 49 CO 0.18 0.39 1.20 0.95 0.00 0.00 0.00 175.76 178.49 1com s THR 50 N -0.32 2.52 -2.00 0.00 -4.23 -0.71 -1.64 115.64 109.27 1com s THR 50 Ca 0.04 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 60.88 1com s THR 50 Cb -0.10 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.95 1com s THR 50 CO 0.01 -0.11 0.76 -0.81 -0.54 0.00 0.00 174.62 173.93 1com n PRO 51 N -2.22 0.20 0.00 3.99 -0.04 -1.26 -1.63 135.00 134.03 1com n PRO 51 Ca 0.13 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1com n PRO 51 Cb 0.50 -1.44 0.30 0.00 -0.04 0.00 0.00 33.50 32.82 1com n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1com n ASP 52 N -0.94 0.93 -4.42 3.54 5.68 -1.26 -4.86 116.55 115.22 1com n ASP 52 Ca 0.04 -0.75 -0.38 0.00 -0.50 0.00 0.00 54.79 53.21 1com n ASP 52 Cb 0.02 0.22 -0.12 0.00 -1.14 0.00 0.00 41.12 40.10 1com n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1com s LEU 53 N -2.66 3.84 0.00 -2.12 1.43 -0.65 -4.94 118.68 113.57 1com s LEU 53 Ca 0.20 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1com s LEU 53 Cb 0.19 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1com s LEU 53 CO 0.59 -0.14 0.23 1.41 0.23 0.00 0.00 176.35 178.66 1com n HIS 54 N 4.94 0.00 -0.02 0.29 8.25 -1.26 -4.93 115.22 122.48 1com n HIS 54 Ca -0.15 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.18 1com n HIS 54 Cb 0.50 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.50 1com n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1com h ALA 55 N 0.00 -0.02 -2.60 -1.41 0.00 -1.92 -3.47 119.26 109.84 1com h ALA 55 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1com h ALA 55 Cb 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.62 1com h ALA 55 CO 0.00 -0.21 -0.59 0.54 0.00 0.00 0.00 179.25 178.99 1com s VAL 56 N -3.78 0.15 -0.03 0.00 0.11 -1.26 -4.79 120.40 110.79 1com s VAL 56 Ca -0.16 -1.20 -0.30 0.00 -2.93 0.00 0.00 61.98 57.39 1com s VAL 56 Cb 0.01 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1com s VAL 56 CO 0.67 -0.66 1.42 -0.36 -3.33 0.00 0.00 175.10 172.83 1com s PHE 57 N -2.64 2.72 0.56 1.54 0.08 -1.26 -4.88 117.98 114.10 1com s PHE 57 Ca -0.05 0.76 0.33 0.00 0.12 0.00 0.00 56.93 58.08 1com s PHE 57 Cb -0.01 -3.68 1.47 0.00 -0.57 0.00 0.00 43.02 40.23 1com s PHE 57 CO -0.05 -2.54 1.81 -1.35 -0.10 0.00 0.00 175.22 172.99 1com h PRO 58 N 8.13 0.00 -0.75 0.24 0.11 -1.94 -1.68 132.00 136.11 1com h PRO 58 Ca -0.36 0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.96 1com h PRO 58 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1com h PRO 58 CO 0.92 0.00 0.61 0.00 -0.21 0.00 0.00 178.00 179.32 1com h ALA 59 N 1.38 2.63 0.00 -0.75 0.00 -1.94 -2.78 119.26 117.80 1com h ALA 59 Ca 0.43 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 1com h ALA 59 Cb 1.89 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1com h ALA 59 CO -0.00 -1.00 -0.38 -0.22 0.00 0.00 0.00 179.25 177.65 1com h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.70 -2.52 116.57 115.99 1com h LYS 60 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1com h LYS 60 Cb 1.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1com h LYS 60 CO -0.00 0.38 0.00 0.00 -2.27 0.00 0.00 179.45 177.56 1com h ALA 61 N 1.62 1.00 -0.71 5.00 0.00 -1.72 -2.78 119.26 121.66 1com h ALA 61 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1com h ALA 61 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1com h ALA 61 CO 0.05 0.00 0.20 0.28 0.00 0.00 0.00 179.25 179.78 1com h VAL 62 N 0.00 1.26 0.00 0.00 2.07 -1.65 -2.40 116.25 115.53 1com h VAL 62 Ca 0.00 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1com h VAL 62 Cb 0.18 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1com h VAL 62 CO 0.00 0.36 0.00 0.54 0.02 0.00 0.00 177.57 178.49 1com n ARG 63 N -4.24 0.01 0.12 1.57 5.12 -1.05 -1.77 116.66 116.41 1com n ARG 63 Ca 0.06 0.37 0.13 0.00 -1.93 0.00 0.00 57.85 56.47 1com n ARG 63 Cb 0.24 -1.50 0.41 0.00 -1.16 0.00 0.00 32.46 30.46 1com n ARG 63 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1com n GLU 64 N -1.47 0.26 -3.34 5.56 -0.58 -0.90 -4.74 120.64 115.43 1com n GLU 64 Ca 0.02 0.26 -0.38 0.00 -0.42 0.00 0.00 57.16 56.64 1com n GLU 64 Cb 0.07 -1.83 -0.07 0.00 -0.57 0.00 0.00 31.44 29.04 1com n GLU 64 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1com s LEU 65 N -4.60 4.19 0.16 -4.62 1.43 -0.73 -5.04 118.68 109.47 1com s LEU 65 Ca 0.09 0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 1com s LEU 65 Cb 0.12 -2.60 -0.07 0.00 0.03 0.00 0.00 46.19 43.66 1com s LEU 65 CO 0.56 -0.07 1.09 -0.44 0.23 0.00 0.00 176.35 177.72 1com s SER 66 N 0.92 7.29 0.00 2.29 0.01 -1.26 -2.71 113.70 120.23 1com s SER 66 Ca 0.22 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.52 1com s SER 66 Cb -0.15 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1com s SER 66 CO 0.09 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1com n GLY 67 N 2.15 1.77 1.26 3.44 0.00 -1.26 -4.92 105.19 107.63 1com n GLY 67 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1com n GLY 67 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1com n TRP 68 N -2.00 1.05 0.51 1.61 7.02 -1.10 -4.42 117.44 120.11 1com n TRP 68 Ca 0.00 -0.46 0.07 0.00 -1.02 0.00 0.00 57.50 56.10 1com n TRP 68 Cb 0.00 -0.11 0.32 0.00 -2.42 0.00 0.00 31.31 29.10 1com n TRP 68 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1com n GLN 69 N 1.10 0.01 -0.13 -0.99 0.00 -1.26 -2.04 117.38 114.07 1com n GLN 69 Ca 0.21 0.25 0.04 0.00 0.00 0.00 0.00 57.00 57.50 1com n GLN 69 Cb 0.65 -1.51 0.11 0.00 0.00 0.00 0.00 30.24 29.48 1com n GLN 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1com n TYR 70 N -1.52 0.31 -3.06 2.61 4.01 -1.26 -4.97 117.16 113.28 1com n TYR 70 Ca 0.04 -0.57 -0.41 0.00 -0.16 0.00 0.00 57.90 56.80 1com n TYR 70 Cb 0.18 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 1com n TYR 70 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1com s VAL 71 N -1.30 4.95 0.10 -0.72 1.01 -0.86 -5.03 120.40 118.55 1com s VAL 71 Ca 0.17 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 1com s VAL 71 Cb 0.11 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1com s VAL 71 CO 0.09 0.01 1.08 -2.16 0.00 0.00 0.00 175.10 174.12 1com s PRO 72 N 2.54 4.55 0.04 2.72 0.04 -1.26 -4.97 135.00 138.66 1com s PRO 72 Ca 0.28 1.63 0.04 0.00 0.04 0.00 0.00 61.00 63.00 1com s PRO 72 Cb -0.15 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1com s PRO 72 CO 0.08 -0.03 -0.13 0.14 0.04 0.00 0.00 177.00 177.10 1com s VAL 73 N 0.44 1.03 0.01 -0.36 -7.23 -1.26 -1.45 120.40 111.58 1com s VAL 73 Ca 0.52 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.66 1com s VAL 73 Cb -0.27 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.73 1com s VAL 73 CO 0.31 -0.01 0.16 0.28 -0.31 0.00 0.00 175.10 175.53 1com s THR 74 N -0.84 0.09 0.23 5.32 -1.32 -0.80 -4.98 115.64 113.35 1com s THR 74 Ca 0.01 -0.78 0.06 0.00 -1.21 0.00 0.00 61.69 59.77 1com s THR 74 Cb -0.08 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 70.26 1com s THR 74 CO 0.01 -0.43 0.19 0.00 -2.21 0.00 0.00 174.62 172.18 1com s MET 76 N -3.67 0.82 -0.26 0.00 0.23 -0.23 -4.86 119.30 111.33 1com s MET 76 Ca 0.32 -0.66 -0.19 0.00 -1.03 0.00 0.00 55.69 54.14 1com s MET 76 Cb -0.08 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.54 1com s MET 76 CO 0.25 -0.26 0.57 -1.14 -2.03 0.00 0.00 175.02 172.41 1com s GLN 77 N -2.97 4.09 0.55 3.16 0.74 -1.26 -2.38 119.66 121.59 1com s GLN 77 Ca -0.02 0.44 -0.20 0.00 0.05 0.00 0.00 55.36 55.63 1com s GLN 77 Cb 0.01 -3.65 -0.05 0.00 1.10 0.00 0.00 33.01 30.42 1com s GLN 77 CO -0.06 -0.38 1.19 -2.00 -0.55 0.00 0.00 175.29 173.49 1com s GLU 78 N 2.40 3.22 0.51 1.67 2.56 -0.65 -4.91 118.70 123.50 1com s GLU 78 Ca 0.24 1.80 -0.20 0.00 0.00 0.00 0.00 54.97 56.81 1com s GLU 78 Cb -0.16 -2.06 -0.07 0.00 2.00 0.00 0.00 34.13 33.84 1com s GLU 78 CO 0.09 -1.00 1.07 0.00 -0.56 0.00 0.00 175.26 174.85 1com s MET 79 N -3.17 3.63 -0.55 4.30 0.23 -1.26 -4.22 119.30 118.26 1com s MET 79 Ca 0.73 1.43 -0.23 0.00 -1.03 0.00 0.00 55.69 56.60 1com s MET 79 Cb -0.29 -2.06 0.05 0.00 -1.53 0.00 0.00 34.83 30.99 1com s MET 79 CO 0.33 -0.59 0.86 0.34 -2.03 0.00 0.00 175.02 173.93 1com s ASP 80 N -1.96 6.30 -0.09 -1.18 2.15 -1.26 -4.85 116.67 115.78 1com s ASP 80 Ca 0.69 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1com s ASP 80 Cb -0.19 -2.40 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 1com s ASP 80 CO 0.23 -1.16 -0.08 -0.69 -0.17 0.00 0.00 175.17 173.30 1com s VAL 81 N 3.62 3.57 -0.24 1.11 1.01 -1.26 -5.05 120.40 123.16 1com s VAL 81 Ca 0.26 -0.52 -0.37 0.00 0.00 0.00 0.00 61.98 61.35 1com s VAL 81 Cb -0.15 -2.47 -0.13 0.00 0.00 0.00 0.00 36.38 33.63 1com s VAL 81 CO 0.17 0.57 1.90 0.41 0.00 0.00 0.00 175.10 178.15 1com n THR 82 N 2.60 0.37 -1.73 3.92 -1.04 -1.26 -0.95 114.28 116.19 1com n THR 82 Ca -0.18 -0.12 -0.04 0.00 -2.04 0.00 0.00 64.05 61.68 1com n THR 82 Cb 0.53 -1.53 -0.01 0.00 -1.82 0.00 0.00 70.33 67.50 1com n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1com n GLY 83 N 4.85 0.37 3.94 3.41 0.00 -1.26 -5.04 105.19 111.46 1com n GLY 83 Ca 0.29 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 1com n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1com s GLY 84 N -2.88 1.75 -0.28 -0.02 0.00 -0.13 -5.01 107.32 100.74 1com s GLY 84 Ca 0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 44.72 43.27 1com s GLY 84 CO 0.00 -0.60 0.66 -2.27 0.00 0.00 0.00 173.10 170.89 1com s LEU 85 N -5.59 4.10 0.52 0.66 2.96 -1.26 -5.02 118.68 115.04 1com s LEU 85 Ca 0.69 0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 55.12 1com s LEU 85 Cb -0.06 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 1com s LEU 85 CO 0.49 -0.45 0.86 -0.54 -1.32 0.00 0.00 176.35 175.39 1com s LYS 86 N 2.62 3.58 -1.44 1.98 -0.14 -1.26 -4.16 119.74 120.92 1com s LYS 86 Ca 0.27 0.39 -0.08 0.00 -1.36 0.00 0.00 55.97 55.19 1com s LYS 86 Cb -0.15 -2.29 0.02 0.00 -1.68 0.00 0.00 37.83 33.73 1com s LYS 86 CO 0.10 -0.30 0.95 1.63 -0.76 0.00 0.00 175.35 176.98 1com n LYS 87 N -2.32 -6.63 -4.75 1.68 5.02 -1.26 -4.85 118.16 105.05 1com n LYS 87 Ca 0.02 0.83 -0.33 0.00 -2.02 0.00 0.00 58.31 56.82 1com n LYS 87 Cb 0.55 -5.81 -0.13 0.00 -0.02 0.00 0.00 35.03 29.62 1com n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1com s ILE 89 N -0.14 2.47 0.03 0.00 1.01 0.45 -1.73 121.20 123.30 1com s ILE 89 Ca -0.00 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.89 1com s ILE 89 Cb -0.13 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1com s ILE 89 CO 0.03 0.53 -0.25 -0.13 0.00 0.00 0.00 174.94 175.12 1com s ARG 90 N 0.68 1.79 -0.01 2.79 0.52 -0.42 -1.49 118.95 122.81 1com s ARG 90 Ca -0.09 -1.05 0.08 0.00 -0.52 0.00 0.00 55.73 54.15 1com s ARG 90 Cb -0.16 -1.91 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 1com s ARG 90 CO 0.02 0.50 -0.25 0.54 0.02 0.00 0.00 175.30 176.13 1com s VAL 91 N -0.76 2.18 -0.31 3.52 0.11 0.56 -0.63 120.40 125.06 1com s VAL 91 Ca 0.11 -1.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1com s VAL 91 Cb -0.10 -1.78 0.08 0.00 -1.53 0.00 0.00 36.38 33.05 1com s VAL 91 CO 0.01 0.54 0.00 -0.32 -3.33 0.00 0.00 175.10 172.01 1com s MET 92 N -0.75 1.97 -0.19 1.54 1.75 -0.35 -1.47 119.30 121.80 1com s MET 92 Ca 0.11 -1.58 -0.05 0.00 -1.25 0.00 0.00 55.69 52.92 1com s MET 92 Cb -0.10 -3.14 -0.02 0.00 2.84 0.00 0.00 34.83 34.41 1com s MET 92 CO -0.00 -0.77 -0.01 1.41 -0.65 0.00 0.00 175.02 174.99 1com s MET 93 N 1.06 3.60 -0.34 4.11 1.75 0.58 -0.68 119.30 129.39 1com s MET 93 Ca 0.01 -0.53 -0.11 0.00 -1.25 0.00 0.00 55.69 53.80 1com s MET 93 Cb -0.20 -3.04 -0.01 0.00 2.84 0.00 0.00 34.83 34.43 1com s MET 93 CO -0.05 0.04 0.20 0.99 -0.65 0.00 0.00 175.02 175.55 1com s THR 94 N 0.91 4.94 0.12 10.11 2.01 0.27 -0.14 115.64 133.85 1com s THR 94 Ca 0.01 -0.39 0.10 0.00 0.31 0.00 0.00 61.69 61.72 1com s THR 94 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1com s THR 94 CO 0.02 -0.02 -0.22 0.68 -0.69 0.00 0.00 174.62 174.39 1com s VAL 95 N 1.66 2.61 -0.34 3.82 -7.23 0.61 -0.95 120.40 120.59 1com s VAL 95 Ca 0.05 -1.59 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 1com s VAL 95 Cb -0.18 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.60 1com s VAL 95 CO 0.08 0.11 1.20 -1.58 -0.31 0.00 0.00 175.10 174.60 1com s GLN 96 N -2.07 3.93 0.08 4.82 0.74 0.29 0.02 119.66 127.47 1com s GLN 96 Ca 0.16 1.08 -0.22 0.00 0.05 0.00 0.00 55.36 56.43 1com s GLN 96 Cb -0.10 -3.84 0.05 0.00 1.10 0.00 0.00 33.01 30.22 1com s GLN 96 CO 0.08 -1.09 0.52 -0.08 -0.55 0.00 0.00 175.29 174.17 1com s THR 97 N 4.16 0.03 -0.04 -0.34 -1.32 0.58 -4.95 115.64 113.77 1com s THR 97 Ca 0.51 -0.25 0.21 0.00 -1.21 0.00 0.00 61.69 60.96 1com s THR 97 Cb -0.14 -1.01 -0.32 0.00 -1.51 0.00 0.00 72.50 69.52 1com s THR 97 CO 0.22 -0.14 0.44 -0.67 -2.21 0.00 0.00 174.62 172.26 1com n ASP 98 N 0.16 0.20 -4.76 8.08 2.03 -1.26 -0.07 116.55 120.94 1com n ASP 98 Ca -0.18 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.72 1com n ASP 98 Cb 0.62 1.91 -0.02 0.00 -0.72 0.00 0.00 41.12 42.90 1com n ASP 98 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1com s VAL 99 N -3.41 2.77 0.56 5.18 1.01 -1.26 -4.88 120.40 120.38 1com s VAL 99 Ca -0.08 0.71 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 1com s VAL 99 Cb 0.13 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1com s VAL 99 CO 0.87 0.14 0.90 -2.65 0.00 0.00 0.00 175.10 174.36 1com n PRO 100 N 1.62 0.93 -0.14 2.72 -0.02 -1.26 -4.81 135.00 134.04 1com n PRO 100 Ca 0.03 0.35 0.20 0.00 -2.02 0.00 0.00 63.50 62.06 1com n PRO 100 Cb 0.41 -2.06 0.60 0.00 -0.02 0.00 0.00 33.50 32.43 1com n PRO 100 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1com h GLN 101 N 0.67 0.22 -0.11 -0.52 4.15 -1.98 0.16 115.11 117.69 1com h GLN 101 Ca -0.47 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1com h GLN 101 Cb 1.36 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1com h GLN 101 CO 0.51 0.15 0.00 -0.40 -1.93 0.00 0.00 178.83 177.16 1com n ASP 102 N -4.42 1.73 -0.05 -0.69 5.75 -1.26 -3.81 116.55 113.79 1com n ASP 102 Ca 0.15 -1.65 0.01 0.00 -0.01 0.00 0.00 54.79 53.29 1com n ASP 102 Cb 0.67 -0.07 0.01 0.00 -1.03 0.00 0.00 41.12 40.69 1com n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1com n GLN 103 N 0.35 -0.53 -2.20 0.11 6.02 0.03 -5.00 117.38 116.16 1com n GLN 103 Ca 0.17 -0.65 -0.41 0.00 -0.01 0.00 0.00 57.00 56.10 1com n GLN 103 Cb 0.36 -1.02 -0.03 0.00 1.02 0.00 0.00 30.24 30.57 1com n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1com s ILE 104 N -0.17 3.01 -0.36 5.09 -1.09 -1.10 -4.94 121.20 121.64 1com s ILE 104 Ca 0.01 0.92 -0.10 0.00 -2.23 0.00 0.00 60.65 59.26 1com s ILE 104 Cb 0.01 -3.59 0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1com s ILE 104 CO 0.02 0.18 0.18 -0.13 -1.23 0.00 0.00 174.94 173.96 1com s ARG 105 N -0.96 2.86 0.08 2.79 0.52 -1.26 -5.06 118.95 117.91 1com s ARG 105 Ca 0.52 -1.05 -0.21 0.00 -0.52 0.00 0.00 55.73 54.47 1com s ARG 105 Cb -0.38 -3.66 -0.07 0.00 0.52 0.00 0.00 34.95 31.37 1com s ARG 105 CO 0.45 -0.66 0.63 -1.01 0.02 0.00 0.00 175.30 174.72 1com s HIS 106 N 1.54 3.81 -0.20 -0.53 3.76 -1.26 -4.82 115.29 117.58 1com s HIS 106 Ca 0.02 1.35 -0.04 0.00 -0.15 0.00 0.00 55.06 56.24 1com s HIS 106 Cb -0.19 -2.59 -0.01 0.00 1.11 0.00 0.00 32.58 30.90 1com s HIS 106 CO 0.06 0.52 -0.04 0.08 -0.85 0.00 0.00 174.74 174.51 1com s VAL 107 N -0.93 3.51 -0.10 -0.90 1.01 -0.57 -4.97 120.40 117.44 1com s VAL 107 Ca 0.31 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1com s VAL 107 Cb -0.20 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1com s VAL 107 CO 0.20 0.44 -0.14 -0.31 0.00 0.00 0.00 175.10 175.30 1com s TYR 108 N 1.12 1.80 0.33 5.22 1.51 -1.26 -1.22 117.35 124.84 1com s TYR 108 Ca 0.02 -0.81 0.03 0.00 -1.01 0.00 0.00 57.07 55.30 1com s TYR 108 Cb -0.15 -1.32 -0.06 0.00 -0.11 0.00 0.00 41.96 40.33 1com s TYR 108 CO -0.00 -0.43 0.07 -0.51 -1.11 0.00 0.00 175.55 173.57 1com s LEU 109 N 1.00 2.07 0.00 -1.29 1.43 -0.49 -4.52 118.68 116.87 1com s LEU 109 Ca -0.07 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 1com s LEU 109 Cb -0.15 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.79 1com s LEU 109 CO -0.01 -0.68 0.00 -0.62 0.23 0.00 0.00 176.35 175.27 1com n GLU 110 N -0.69 0.00 0.16 1.70 -0.58 -1.26 -0.84 120.64 119.14 1com n GLU 110 Ca -0.03 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.85 1com n GLU 110 Cb 0.66 0.00 0.44 0.00 -0.57 0.00 0.00 31.44 31.97 1com n GLU 110 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1com h LYS 111 N 0.00 0.00 0.00 3.49 1.57 -1.93 -3.04 116.57 116.66 1com h LYS 111 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1com h LYS 111 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1com h LYS 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1com n ALA 112 N -1.89 1.36 0.05 3.86 0.00 -0.02 -1.67 120.51 122.19 1com n ALA 112 Ca 0.03 -0.02 0.21 0.00 0.00 0.00 0.00 53.44 53.66 1com n ALA 112 Cb 0.37 -1.09 0.74 0.00 0.00 0.00 0.00 19.45 19.46 1com n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1com h VAL 113 N 0.00 0.50 0.00 0.00 -1.51 -1.50 -0.26 116.25 113.48 1com h VAL 113 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1com h VAL 113 Cb 0.08 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 1com h VAL 113 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 177.57 176.89 1com n VAL 114 N -3.96 0.03 -0.02 7.19 3.14 -0.67 -4.21 118.33 119.83 1com n VAL 114 Ca 0.09 0.01 -0.16 0.00 -2.96 0.00 0.00 64.34 61.32 1com n VAL 114 Cb 0.63 -0.52 -0.12 0.00 -1.06 0.00 0.00 33.84 32.77 1com n VAL 114 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1com h LEU 115 N 0.00 0.24 -6.86 6.55 3.38 -1.27 -3.41 115.31 113.95 1com h LEU 115 Ca 0.00 -0.80 -0.53 0.00 0.09 0.00 0.00 57.88 56.64 1com h LEU 115 Cb 0.36 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 40.63 1com h LEU 115 CO 0.00 1.01 -0.77 -0.13 0.09 0.00 0.00 178.44 178.64 1com s ARG 116 N -3.03 0.25 0.00 1.13 1.81 -1.26 -5.21 118.95 112.64 1com s ARG 116 Ca -0.16 -0.56 0.18 0.00 -1.72 0.00 0.00 55.73 53.47 1com s ARG 116 Cb 0.01 -1.32 1.07 0.00 -0.45 0.00 0.00 34.95 34.26 1com s ARG 116 CO 0.75 -0.99 1.47 -2.30 -0.68 0.00 0.00 175.30 173.55