#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 3.64 0.00 1.12 1.09 -1.26 -0.41 121.20 125.39 1com s ILE 3 Ca 0.00 -0.48 0.02 0.00 -1.10 0.00 0.00 60.65 59.10 1com s ILE 3 Cb 0.00 -2.53 -0.01 0.00 -1.06 0.00 0.00 42.46 38.86 1com s ILE 3 CO 0.00 0.55 -0.08 -0.13 -0.10 0.00 0.00 174.94 175.18 1com s ARG 4 N -0.24 0.61 0.25 2.79 1.81 0.18 -4.95 118.95 119.39 1com s ARG 4 Ca 0.03 -0.36 -0.20 0.00 -1.72 0.00 0.00 55.73 53.49 1com s ARG 4 Cb -0.13 -0.57 -0.09 0.00 -0.45 0.00 0.00 34.95 33.72 1com s ARG 4 CO 0.03 0.15 0.75 0.20 -0.68 0.00 0.00 175.30 175.75 1com s GLY 5 N -0.41 2.59 -0.04 -3.53 0.00 -1.26 -0.54 107.32 104.14 1com s GLY 5 Ca 0.01 0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.96 1com s GLY 5 CO -0.00 0.53 -0.15 -0.42 0.00 0.00 0.00 173.10 173.07 1com s ILE 6 N -1.60 1.24 0.16 0.90 1.01 0.13 -4.93 121.20 118.10 1com s ILE 6 Ca 0.45 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1com s ILE 6 Cb -0.16 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1com s ILE 6 CO 0.21 0.36 -0.04 -0.13 0.00 0.00 0.00 174.94 175.34 1com s ARG 7 N 0.16 2.30 0.19 2.79 1.81 -1.26 -0.64 118.95 124.29 1com s ARG 7 Ca -0.05 -1.10 -0.16 0.00 -1.72 0.00 0.00 55.73 52.70 1com s ARG 7 Cb -0.11 -2.33 0.02 0.00 -0.45 0.00 0.00 34.95 32.08 1com s ARG 7 CO 0.02 0.47 0.48 0.20 -0.68 0.00 0.00 175.30 175.78 1com s GLY 8 N -2.74 0.01 -0.02 -3.53 0.00 -0.32 -1.24 107.32 99.49 1com s GLY 8 Ca 0.26 -0.34 -0.26 0.00 0.00 0.00 0.00 44.72 44.38 1com s GLY 8 CO 0.17 -0.37 0.57 0.00 0.00 0.00 0.00 173.10 173.47 1com s ALA 9 N -3.89 -1.48 0.31 3.20 0.00 -0.48 -1.49 121.76 117.93 1com s ALA 9 Ca 0.10 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 52.94 1com s ALA 9 Cb -0.00 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1com s ALA 9 CO -0.02 -0.39 0.51 -0.08 0.00 0.00 0.00 175.76 175.78 1com s THR 10 N -1.55 0.00 0.09 0.00 -1.32 -0.73 -1.10 115.64 111.02 1com s THR 10 Ca -0.10 -1.46 0.02 0.00 -1.21 0.00 0.00 61.69 58.94 1com s THR 10 Cb -0.01 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 1com s THR 10 CO 0.06 0.00 -0.07 0.42 -2.21 0.00 0.00 174.62 172.82 1com s THR 11 N -3.32 0.69 0.10 5.08 -4.23 -1.26 -1.35 115.64 111.36 1com s THR 11 Ca 0.26 -1.75 0.08 0.00 -1.18 0.00 0.00 61.69 59.10 1com s THR 11 Cb -0.01 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 1com s THR 11 CO 0.15 -0.75 -0.16 0.68 -0.54 0.00 0.00 174.62 174.00 1com s VAL 12 N -3.09 2.99 0.07 2.29 -7.23 -0.04 -4.84 120.40 110.55 1com s VAL 12 Ca 0.07 -1.39 0.11 0.00 -1.81 0.00 0.00 61.98 58.96 1com s VAL 12 Cb 0.02 -2.37 -0.08 0.00 0.56 0.00 0.00 36.38 34.51 1com s VAL 12 CO -0.03 0.14 1.41 -0.33 -0.31 0.00 0.00 175.10 175.97 1com h GLU 13 N 3.81 0.00 -3.48 4.82 4.39 -1.96 -3.45 114.58 118.71 1com h GLU 13 Ca -0.49 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.00 1com h GLU 13 Cb 1.17 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.54 1com h GLU 13 CO 0.48 0.75 -0.61 1.03 -1.16 0.00 0.00 179.01 179.51 1com s ARG 14 N -2.98 0.11 -1.14 2.33 0.52 -1.26 -5.07 118.95 111.46 1com s ARG 14 Ca 0.01 0.15 -0.18 0.00 -0.52 0.00 0.00 55.73 55.19 1com s ARG 14 Cb 0.10 0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.55 1com s ARG 14 CO 0.78 -0.03 2.03 -3.47 0.02 0.00 0.00 175.30 174.63 1com n ASP 15 N 3.13 3.35 -4.47 0.23 2.03 -1.26 -4.62 116.55 114.93 1com n ASP 15 Ca -0.14 -2.77 -0.23 0.00 0.52 0.00 0.00 54.79 52.17 1com n ASP 15 Cb 0.59 -1.45 -0.10 0.00 -0.72 0.00 0.00 41.12 39.43 1com n ASP 15 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1com s THR 16 N 4.76 2.11 0.05 5.18 -1.32 -1.26 -4.55 115.64 120.60 1com s THR 16 Ca 0.54 -2.25 -0.27 0.00 -1.21 0.00 0.00 61.69 58.51 1com s THR 16 Cb 0.12 -2.43 -0.17 0.00 -1.51 0.00 0.00 72.50 68.51 1com s THR 16 CO 0.03 -0.33 1.49 -0.08 -2.21 0.00 0.00 174.62 173.52 1com h GLU 17 N 2.21 -0.40 -0.95 7.08 4.81 -1.90 -2.70 114.58 122.73 1com h GLU 17 Ca -0.40 0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.06 1com h GLU 17 Cb 1.25 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.64 1com h GLU 17 CO 0.66 -0.17 0.62 0.93 -0.73 0.00 0.00 179.01 180.32 1com h GLU 18 N -0.58 0.46 0.15 1.92 5.08 -1.96 -0.11 114.58 119.53 1com h GLU 18 Ca -0.04 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.03 1com h GLU 18 Cb 0.42 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1com h GLU 18 CO 0.07 0.30 -1.25 1.49 -1.00 0.00 0.00 179.01 178.62 1com h GLU 19 N 0.47 0.32 0.44 2.33 4.57 -1.86 -2.51 114.58 118.33 1com h GLU 19 Ca 0.51 -0.54 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1com h GLU 19 Cb 1.18 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 1com h GLU 19 CO -0.23 1.26 -0.21 0.82 -1.18 0.00 0.00 179.01 179.47 1com h ILE 20 N -0.23 0.57 -0.76 2.32 2.04 -1.00 0.52 117.51 120.97 1com h ILE 20 Ca -0.25 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.59 1com h ILE 20 Cb 1.81 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 38.45 1com h ILE 20 CO 0.13 0.02 0.43 -0.07 0.00 0.00 0.00 178.15 178.66 1com h LEU 21 N -0.64 0.64 -0.21 1.44 3.38 -1.20 -1.55 115.31 117.17 1com h LEU 21 Ca -0.06 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1com h LEU 21 Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1com h LEU 21 CO 0.10 0.39 0.05 -0.61 0.09 0.00 0.00 178.44 178.46 1com h GLN 22 N 0.77 0.34 -0.13 1.13 4.15 -1.03 -1.38 115.11 118.96 1com h GLN 22 Ca 0.35 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1com h GLN 22 Cb 0.26 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1com h GLN 22 CO -0.21 0.46 0.05 0.87 -1.93 0.00 0.00 178.83 178.07 1com h LYS 23 N 0.16 0.20 -0.42 1.69 1.79 -0.78 -2.47 116.57 116.74 1com h LYS 23 Ca 0.07 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1com h LYS 23 Cb 0.28 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1com h LYS 23 CO 0.00 0.30 0.23 1.15 -1.08 0.00 0.00 179.45 180.05 1com h THR 24 N 0.05 1.15 -0.48 -0.16 2.02 -1.29 -1.99 112.91 112.21 1com h THR 24 Ca 0.04 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1com h THR 24 Cb 0.18 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1com h THR 24 CO -0.00 0.16 0.26 0.50 0.37 0.00 0.00 175.52 176.80 1com h LYS 25 N 0.54 0.67 -0.97 6.66 3.64 -1.26 0.54 116.57 126.39 1com h LYS 25 Ca 0.15 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1com h LYS 25 Cb 0.05 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1com h LYS 25 CO -0.02 0.53 0.61 1.96 -2.27 0.00 0.00 179.45 180.25 1com h GLN 26 N 0.63 1.30 -0.37 1.90 4.20 -1.31 -0.29 115.11 121.17 1com h GLN 26 Ca 0.17 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1com h GLN 26 Cb 0.05 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 1com h GLN 26 CO -0.03 0.89 0.15 1.25 -0.67 0.00 0.00 178.83 180.42 1com h LEU 27 N 1.33 0.50 -0.35 1.46 5.85 -0.74 -0.98 115.31 122.38 1com h LEU 27 Ca 0.35 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1com h LEU 27 Cb -0.10 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1com h LEU 27 CO -0.07 0.53 0.17 -0.07 -0.34 0.00 0.00 178.44 178.66 1com h LEU 28 N 0.45 0.24 -1.30 2.25 3.38 0.20 -0.31 115.31 120.22 1com h LEU 28 Ca 0.12 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1com h LEU 28 Cb 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1com h LEU 28 CO -0.01 0.18 -0.05 -0.33 0.09 0.00 0.00 178.44 178.32 1com h GLU 29 N 0.35 0.41 -0.20 1.13 5.08 -0.98 -0.44 114.58 119.92 1com h GLU 29 Ca 0.15 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 1com h GLU 29 Cb 0.07 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1com h GLU 29 CO -0.11 0.48 -0.60 -0.22 -1.00 0.00 0.00 179.01 177.56 1com h LYS 30 N 0.39 0.76 -0.05 2.33 1.63 -0.56 -0.79 116.57 120.28 1com h LYS 30 Ca 0.08 -0.55 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1com h LYS 30 Cb 0.34 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1com h LYS 30 CO 0.01 1.17 0.02 0.82 -3.45 0.00 0.00 179.45 178.03 1com h ILE 31 N 0.49 1.00 0.03 2.00 2.04 -0.70 -2.14 117.51 120.24 1com h ILE 31 Ca -0.02 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1com h ILE 31 Cb 1.22 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1com h ILE 31 CO 0.13 0.01 -0.07 0.40 0.00 0.00 0.00 178.15 178.62 1com h ILE 32 N 0.05 0.82 -0.70 -0.67 2.04 -1.02 -1.21 117.51 116.82 1com h ILE 32 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1com h ILE 32 Cb 0.00 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1com h ILE 32 CO -0.01 0.00 0.39 -0.08 0.00 0.00 0.00 178.15 178.44 1com h GLU 33 N -0.14 0.68 -0.11 2.37 4.81 -1.11 0.20 114.58 121.28 1com h GLU 33 Ca 0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1com h GLU 33 Cb 0.16 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1com h GLU 33 CO -0.05 0.45 0.03 0.93 -0.73 0.00 0.00 179.01 179.63 1com h GLU 34 N 0.70 0.17 -0.06 1.92 4.39 -1.02 -3.29 114.58 117.39 1com h GLU 34 Ca 0.32 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1com h GLU 34 Cb 0.23 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1com h GLU 34 CO -0.20 0.35 0.00 0.09 -1.16 0.00 0.00 179.01 178.08 1com n ASN 35 N -4.87 2.65 -3.80 1.42 3.02 -0.49 -4.89 115.26 108.31 1com n ASN 35 Ca -0.06 -1.87 -0.28 0.00 -0.03 0.00 0.00 54.58 52.33 1com n ASN 35 Cb 0.15 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.32 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 1.06 -1.79 -3.18 3.10 8.25 0.70 -4.94 115.22 118.41 1com n HIS 36 Ca 0.16 0.60 -0.39 0.00 -0.26 0.00 0.00 57.72 57.83 1com n HIS 36 Cb 0.54 -3.65 -0.05 0.00 1.12 0.00 0.00 29.99 27.95 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 -3.68 5.10 0.05 1.59 2.01 -1.12 -5.07 115.64 114.51 1com s THR 37 Ca 0.24 1.20 -0.00 0.00 0.31 0.00 0.00 61.69 63.44 1com s THR 37 Cb -0.09 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1com s THR 37 CO 0.87 0.30 0.20 -0.54 -0.69 0.00 0.00 174.62 174.77 1com s LYS 38 N 0.61 3.43 0.37 4.92 -0.14 -1.26 -4.93 119.74 122.73 1com s LYS 38 Ca 0.32 -0.43 0.12 0.00 -1.36 0.00 0.00 55.97 54.61 1com s LYS 38 Cb -0.17 -3.04 0.90 0.00 -1.68 0.00 0.00 37.83 33.85 1com s LYS 38 CO 0.15 0.62 1.85 -1.00 -0.76 0.00 0.00 175.35 176.20 1com h PRO 39 N 3.17 0.58 0.00 -1.68 0.13 -1.94 -2.09 132.00 130.17 1com h PRO 39 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1com h PRO 39 Cb 1.16 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1com h PRO 39 CO 0.75 0.38 0.00 -0.85 -0.23 0.00 0.00 178.00 178.05 1com n GLU 40 N -4.58 0.20 0.00 0.86 0.00 -1.26 -2.44 120.64 113.42 1com n GLU 40 Ca 0.19 0.38 0.13 0.00 0.00 0.00 0.00 57.16 57.86 1com n GLU 40 Cb 0.57 -1.85 0.42 0.00 0.00 0.00 0.00 31.44 30.58 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 -2.21 0.57 -4.60 -1.84 8.00 -0.79 -4.81 116.55 110.87 1com n ASP 41 Ca 0.03 -0.40 -0.41 0.00 0.71 0.00 0.00 54.79 54.72 1com n ASP 41 Cb 0.26 0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.34 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 -2.75 5.00 0.04 2.53 1.01 -1.02 -0.76 120.40 124.46 1com s VAL 42 Ca 0.19 0.82 -0.27 0.00 0.00 0.00 0.00 61.98 62.72 1com s VAL 42 Cb 0.19 -3.93 -0.17 0.00 0.00 0.00 0.00 36.38 32.47 1com s VAL 42 CO 0.58 -0.06 1.47 0.58 0.00 0.00 0.00 175.10 177.67 1com h VAL 43 N 5.49 0.69 -1.90 2.92 2.07 -1.33 -3.47 116.25 120.72 1com h VAL 43 Ca -0.28 -0.31 0.25 0.00 0.82 0.00 0.00 66.70 67.18 1com h VAL 43 Cb 1.13 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 31.65 1com h VAL 43 CO 0.76 0.06 0.65 0.00 0.02 0.00 0.00 177.57 179.07 1com s GLN 44 N -5.40 0.79 0.03 1.57 -2.07 -1.26 -4.56 119.66 108.77 1com s GLN 44 Ca -0.15 -0.43 0.02 0.00 -1.82 0.00 0.00 55.36 52.97 1com s GLN 44 Cb 0.03 0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 1com s GLN 44 CO 0.60 -0.36 -0.07 1.41 -1.32 0.00 0.00 175.29 175.55 1com s MET 45 N -2.86 0.47 -0.02 9.60 1.75 -0.12 -2.13 119.30 125.99 1com s MET 45 Ca 0.13 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 54.01 1com s MET 45 Cb 0.02 -0.29 0.00 0.00 2.84 0.00 0.00 34.83 37.40 1com s MET 45 CO -0.01 0.06 -0.08 -0.51 -0.65 0.00 0.00 175.02 173.83 1com s LEU 46 N -1.15 1.83 -0.14 4.11 1.43 -0.65 -2.49 118.68 121.61 1com s LEU 46 Ca -0.07 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1com s LEU 46 Cb -0.08 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.68 1com s LEU 46 CO 0.00 0.07 -0.11 -0.76 0.23 0.00 0.00 176.35 175.78 1com s LEU 47 N 0.11 1.59 0.32 1.79 1.02 -0.65 -1.31 118.68 121.56 1com s LEU 47 Ca -0.02 -0.49 0.04 0.00 0.02 0.00 0.00 54.13 53.69 1com s LEU 47 Cb -0.07 -1.06 -0.02 0.00 0.02 0.00 0.00 46.19 45.06 1com s LEU 47 CO 0.00 -0.10 0.47 -0.94 0.02 0.00 0.00 176.35 175.81 1com s SER 48 N 1.56 6.14 -0.01 2.29 1.04 0.21 -1.73 113.70 123.20 1com s SER 48 Ca 0.04 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.54 1com s SER 48 Cb -0.13 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1com s SER 48 CO -0.09 -0.31 0.03 0.00 0.98 0.00 0.00 173.24 173.84 1com s ALA 49 N -2.18 -0.07 0.82 5.32 0.00 -1.11 -1.03 121.76 123.52 1com s ALA 49 Ca 0.41 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 1com s ALA 49 Cb -0.09 -0.03 0.09 0.00 0.00 0.00 0.00 23.12 23.09 1com s ALA 49 CO 0.32 -0.04 1.17 0.95 0.00 0.00 0.00 175.76 178.16 1com s THR 50 N -0.18 2.28 -1.84 0.00 -4.23 -1.03 -1.22 115.64 109.43 1com s THR 50 Ca -0.02 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1com s THR 50 Cb -0.01 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1com s THR 50 CO -0.00 -0.10 0.35 -2.65 -0.54 0.00 0.00 174.62 171.68 1com n PRO 51 N -3.49 0.00 0.00 3.99 -0.02 -1.26 -2.45 135.00 131.76 1com n PRO 51 Ca 0.12 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1com n PRO 51 Cb 0.51 -1.38 0.04 0.00 -0.02 0.00 0.00 33.50 32.66 1com n PRO 51 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1com n ASP 52 N -0.84 2.41 -4.49 2.55 5.68 -1.26 -4.87 116.55 115.74 1com n ASP 52 Ca 0.00 -1.71 -0.34 0.00 -0.50 0.00 0.00 54.79 52.25 1com n ASP 52 Cb 0.00 0.26 -0.12 0.00 -1.14 0.00 0.00 41.12 40.12 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 -2.20 3.15 0.00 -2.12 1.43 -1.03 -4.90 118.68 113.02 1com s LEU 53 Ca 0.22 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1com s LEU 53 Cb 0.18 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1com s LEU 53 CO 0.43 0.19 0.00 1.41 0.23 0.00 0.00 176.35 178.62 1com n HIS 54 N 3.36 0.00 0.26 0.29 8.25 -1.26 -4.96 115.22 121.16 1com n HIS 54 Ca -0.18 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.46 1com n HIS 54 Cb 0.53 0.00 0.91 0.00 1.12 0.00 0.00 29.99 32.54 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 1.58 -1.58 -1.41 0.00 -1.91 -3.45 119.26 112.49 1com h ALA 55 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1com h ALA 55 Cb 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.57 1com h ALA 55 CO 0.00 -0.20 0.52 0.54 0.00 0.00 0.00 179.25 180.12 1com s VAL 56 N -4.51 0.00 0.14 0.00 0.11 -1.26 -4.72 120.40 110.15 1com s VAL 56 Ca -0.05 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 1com s VAL 56 Cb 0.14 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.92 1com s VAL 56 CO 0.50 0.00 1.16 -0.36 -3.33 0.00 0.00 175.10 173.07 1com s PHE 57 N -1.03 3.50 0.44 1.54 0.08 -1.26 -4.93 117.98 116.32 1com s PHE 57 Ca -0.02 1.45 0.17 0.00 0.12 0.00 0.00 56.93 58.66 1com s PHE 57 Cb -0.01 -3.36 1.10 0.00 -0.57 0.00 0.00 43.02 40.18 1com s PHE 57 CO 0.02 -0.98 1.93 -1.35 -0.10 0.00 0.00 175.22 174.73 1com h PRO 58 N 5.74 0.35 -0.07 0.24 0.11 -1.95 -2.80 132.00 133.63 1com h PRO 58 Ca -0.43 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1com h PRO 58 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1com h PRO 58 CO 0.76 0.23 0.37 0.00 -0.21 0.00 0.00 178.00 179.15 1com h ALA 59 N 1.65 1.48 0.00 -0.75 0.00 -1.91 -0.46 119.26 119.27 1com h ALA 59 Ca 0.36 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1com h ALA 59 Cb 0.89 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1com h ALA 59 CO -0.11 -0.40 -0.25 -0.22 0.00 0.00 0.00 179.25 178.27 1com h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.90 -1.87 116.57 116.44 1com h LYS 60 Ca 0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1com h LYS 60 Cb 0.77 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1com h LYS 60 CO -0.00 0.25 -0.18 0.00 -2.27 0.00 0.00 179.45 177.25 1com h ALA 61 N 1.75 1.20 -0.35 5.00 0.00 -1.32 -2.59 119.26 122.95 1com h ALA 61 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1com h ALA 61 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1com h ALA 61 CO 0.03 0.23 0.11 0.28 0.00 0.00 0.00 179.25 179.90 1com h VAL 62 N 0.00 1.15 -0.00 0.00 2.07 -1.52 0.18 116.25 118.13 1com h VAL 62 Ca -0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1com h VAL 62 Cb 0.51 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1com h VAL 62 CO 0.02 0.19 -0.00 0.54 0.02 0.00 0.00 177.57 178.34 1com n ARG 63 N -4.37 1.09 -0.20 1.57 3.00 -0.98 -2.10 116.66 114.67 1com n ARG 63 Ca 0.02 -0.20 0.08 0.00 -0.01 0.00 0.00 57.85 57.74 1com n ARG 63 Cb 0.16 -1.50 0.23 0.00 0.00 0.00 0.00 32.46 31.36 1com n ARG 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1com n GLU 64 N -0.78 2.03 -4.29 5.56 4.71 0.05 -4.85 120.64 123.07 1com n GLU 64 Ca 0.22 -1.59 -0.34 0.00 -0.01 0.00 0.00 57.16 55.44 1com n GLU 64 Cb 0.17 -1.37 -0.11 0.00 -1.01 0.00 0.00 31.44 29.12 1com n GLU 64 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1com s LEU 65 N -1.13 3.47 0.10 -4.62 1.43 -0.89 -5.05 118.68 111.99 1com s LEU 65 Ca 0.31 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.09 1com s LEU 65 Cb 0.17 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 44.45 1com s LEU 65 CO 0.22 0.21 1.79 -0.44 0.23 0.00 0.00 176.35 178.37 1com s SER 66 N 0.10 6.47 0.00 2.29 0.01 -1.26 -2.13 113.70 119.18 1com s SER 66 Ca 0.01 2.68 0.00 0.00 1.31 0.00 0.00 55.95 59.95 1com s SER 66 Cb -0.13 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1com s SER 66 CO 0.02 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.30 1com n GLY 67 N 4.19 1.78 0.52 3.44 0.00 -1.26 -4.85 105.19 109.02 1com n GLY 67 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 0.26 0.25 1.61 7.02 -0.91 -4.24 117.44 119.43 1com n TRP 68 Ca 0.00 -0.13 0.10 0.00 -1.02 0.00 0.00 57.50 56.46 1com n TRP 68 Cb 0.00 0.00 0.49 0.00 -2.42 0.00 0.00 31.31 29.38 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 0.27 0.14 -0.15 -0.99 10.64 -1.26 -1.81 117.38 124.22 1com n GLN 69 Ca 0.14 0.53 0.06 0.00 -1.83 0.00 0.00 57.00 55.90 1com n GLN 69 Cb 0.29 -1.87 0.14 0.00 -0.86 0.00 0.00 30.24 27.94 1com n GLN 69 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1com n TYR 70 N -2.16 0.40 -2.67 2.61 4.01 -1.26 -4.95 117.16 113.13 1com n TYR 70 Ca 0.00 -0.40 -0.43 0.00 -0.16 0.00 0.00 57.90 56.91 1com n TYR 70 Cb 0.11 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.00 4.62 -0.01 -0.72 1.01 -0.75 -4.98 120.40 118.57 1com s VAL 71 Ca 0.22 1.87 -0.30 0.00 0.00 0.00 0.00 61.98 63.77 1com s VAL 71 Cb 0.12 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1com s VAL 71 CO 0.16 -0.30 1.44 -2.16 0.00 0.00 0.00 175.10 174.24 1com s PRO 72 N 3.36 4.26 0.01 2.72 0.04 -1.26 -4.93 135.00 139.21 1com s PRO 72 Ca 0.44 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.52 1com s PRO 72 Cb -0.14 -3.64 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 1com s PRO 72 CO 0.10 -0.63 -0.15 0.14 0.04 0.00 0.00 177.00 176.50 1com s VAL 73 N 2.68 1.21 0.12 -0.36 -7.23 -1.26 -0.95 120.40 114.62 1com s VAL 73 Ca 0.65 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.93 1com s VAL 73 Cb -0.32 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 1com s VAL 73 CO 0.26 0.20 0.17 0.28 -0.31 0.00 0.00 175.10 175.70 1com s THR 74 N -0.58 0.11 0.30 5.32 -1.32 -1.04 -4.97 115.64 113.46 1com s THR 74 Ca 0.04 -1.52 0.10 0.00 -1.21 0.00 0.00 61.69 59.11 1com s THR 74 Cb -0.07 -1.74 -0.05 0.00 -1.51 0.00 0.00 72.50 69.13 1com s THR 74 CO 0.00 -0.50 -0.11 0.00 -2.21 0.00 0.00 174.62 171.80 1com s MET 76 N -3.60 1.72 -0.11 0.00 0.23 -0.70 -4.90 119.30 111.93 1com s MET 76 Ca 0.32 -1.31 -0.18 0.00 -1.03 0.00 0.00 55.69 53.49 1com s MET 76 Cb -0.03 0.51 -0.04 0.00 -1.53 0.00 0.00 34.83 33.74 1com s MET 76 CO 0.17 -0.74 0.46 -1.14 -2.03 0.00 0.00 175.02 171.74 1com s GLN 77 N -3.66 4.32 0.39 3.16 0.74 -1.26 -2.74 119.66 120.61 1com s GLN 77 Ca 0.21 0.43 -0.25 0.00 0.05 0.00 0.00 55.36 55.80 1com s GLN 77 Cb -0.02 -3.42 -0.09 0.00 1.10 0.00 0.00 33.01 30.58 1com s GLN 77 CO 0.11 0.19 1.13 -2.00 -0.55 0.00 0.00 175.29 174.17 1com s GLU 78 N 0.52 4.12 0.59 1.67 2.56 -0.35 -4.88 118.70 122.92 1com s GLU 78 Ca 0.25 1.74 -0.17 0.00 0.00 0.00 0.00 54.97 56.79 1com s GLU 78 Cb -0.15 -2.67 -0.04 0.00 2.00 0.00 0.00 34.13 33.27 1com s GLU 78 CO 0.10 -0.23 1.10 0.00 -0.56 0.00 0.00 175.26 175.67 1com s MET 79 N -2.30 3.19 -0.50 4.30 0.23 -1.26 -4.28 119.30 118.67 1com s MET 79 Ca 0.56 1.45 -0.17 0.00 -1.03 0.00 0.00 55.69 56.50 1com s MET 79 Cb -0.28 -2.00 0.07 0.00 -1.53 0.00 0.00 34.83 31.09 1com s MET 79 CO 0.35 -0.95 0.53 0.34 -2.03 0.00 0.00 175.02 173.26 1com s ASP 80 N -2.22 6.19 -0.13 -1.18 2.15 -1.26 -4.86 116.67 115.36 1com s ASP 80 Ca 0.69 -1.18 0.00 0.00 0.43 0.00 0.00 52.55 52.49 1com s ASP 80 Cb -0.21 -2.24 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 1com s ASP 80 CO 0.33 -0.81 -0.14 -0.69 -0.17 0.00 0.00 175.17 173.68 1com s VAL 81 N 2.17 2.93 0.18 1.11 1.01 -1.26 -5.09 120.40 121.45 1com s VAL 81 Ca 0.10 -0.70 -0.32 0.00 0.00 0.00 0.00 61.98 61.05 1com s VAL 81 Cb -0.22 -2.22 -0.11 0.00 0.00 0.00 0.00 36.38 33.83 1com s VAL 81 CO 0.09 0.53 1.62 -0.89 0.00 0.00 0.00 175.10 176.44 1com s THR 82 N 0.35 2.44 0.00 3.92 2.01 -1.26 -1.07 115.64 122.03 1com s THR 82 Ca -0.12 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1com s THR 82 Cb -0.16 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1com s THR 82 CO 0.06 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1com n GLY 83 N 3.83 0.52 3.80 4.40 0.00 -1.26 -5.03 105.19 111.44 1com n GLY 83 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.62 0.20 -0.02 0.00 -0.23 -4.97 107.32 102.91 1com s GLY 84 Ca 0.00 0.50 -0.31 0.00 0.00 0.00 0.00 44.72 44.90 1com s GLY 84 CO 0.00 0.87 1.59 -2.27 0.00 0.00 0.00 173.10 173.29 1com s LEU 85 N -2.61 4.37 0.48 0.66 2.96 -1.26 -4.97 118.68 118.30 1com s LEU 85 Ca 0.56 2.72 -0.15 0.00 -0.22 0.00 0.00 54.13 57.04 1com s LEU 85 Cb -0.15 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.86 1com s LEU 85 CO 0.20 -0.85 0.93 -0.54 -1.32 0.00 0.00 176.35 174.76 1com s LYS 86 N 0.75 3.92 -1.54 1.98 -0.14 -1.26 -4.30 119.74 119.14 1com s LYS 86 Ca 0.69 0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 56.05 1com s LYS 86 Cb -0.45 -2.21 0.07 0.00 -1.68 0.00 0.00 37.83 33.56 1com s LYS 86 CO 0.35 -0.20 0.59 1.63 -0.76 0.00 0.00 175.35 176.96 1com n LYS 87 N -1.45 -3.28 -4.60 1.68 5.02 -1.26 -4.78 118.16 109.49 1com n LYS 87 Ca 0.05 0.39 -0.33 0.00 -2.02 0.00 0.00 58.31 56.40 1com n LYS 87 Cb 0.54 -4.78 -0.13 0.00 -0.02 0.00 0.00 35.03 30.63 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 0.23 4.64 0.02 0.00 1.01 -0.46 -2.46 121.20 124.18 1com s ILE 89 Ca -0.05 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.59 1com s ILE 89 Cb -0.15 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1com s ILE 89 CO 0.04 0.44 -0.25 -0.13 0.00 0.00 0.00 174.94 175.05 1com s ARG 90 N 0.55 1.78 -0.03 2.79 0.52 -0.19 -1.78 118.95 122.58 1com s ARG 90 Ca 0.03 -0.99 0.07 0.00 -0.52 0.00 0.00 55.73 54.31 1com s ARG 90 Cb -0.13 -1.86 -0.02 0.00 0.52 0.00 0.00 34.95 33.46 1com s ARG 90 CO 0.01 0.49 -0.22 0.54 0.02 0.00 0.00 175.30 176.14 1com s VAL 91 N -0.72 2.40 -0.25 3.52 0.11 -0.56 -0.62 120.40 124.28 1com s VAL 91 Ca 0.10 -0.99 -0.00 0.00 -2.93 0.00 0.00 61.98 58.15 1com s VAL 91 Cb -0.10 -1.88 0.04 0.00 -1.53 0.00 0.00 36.38 32.91 1com s VAL 91 CO 0.01 0.57 -0.08 -0.32 -3.33 0.00 0.00 175.10 171.95 1com s MET 92 N -0.69 2.68 -0.19 1.54 1.75 -0.42 -1.17 119.30 122.81 1com s MET 92 Ca 0.11 -1.07 0.00 0.00 -1.25 0.00 0.00 55.69 53.48 1com s MET 92 Cb -0.10 -2.93 0.02 0.00 2.84 0.00 0.00 34.83 34.65 1com s MET 92 CO -0.00 -0.44 -0.17 1.41 -0.65 0.00 0.00 175.02 175.17 1com s MET 93 N 1.26 3.06 -0.20 4.11 1.75 0.18 -1.64 119.30 127.82 1com s MET 93 Ca -0.02 -0.79 -0.16 0.00 -1.25 0.00 0.00 55.69 53.47 1com s MET 93 Cb -0.17 -2.65 -0.04 0.00 2.84 0.00 0.00 34.83 34.81 1com s MET 93 CO -0.05 -0.21 0.39 0.99 -0.65 0.00 0.00 175.02 175.49 1com s THR 94 N 1.32 5.20 0.15 10.11 2.01 -0.91 -0.69 115.64 132.84 1com s THR 94 Ca 0.05 0.70 0.04 0.00 0.31 0.00 0.00 61.69 62.79 1com s THR 94 Cb -0.13 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1com s THR 94 CO -0.11 0.26 -0.09 0.68 -0.69 0.00 0.00 174.62 174.67 1com s VAL 95 N 1.26 1.12 -0.23 3.82 -7.23 0.30 -0.90 120.40 118.55 1com s VAL 95 Ca 0.19 -2.05 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 1com s VAL 95 Cb -0.15 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 1com s VAL 95 CO 0.08 -0.71 0.49 -1.58 -0.31 0.00 0.00 175.10 173.07 1com s GLN 96 N -3.77 4.12 0.13 4.82 0.74 0.06 -0.65 119.66 125.12 1com s GLN 96 Ca 0.18 0.32 -0.21 0.00 0.05 0.00 0.00 55.36 55.70 1com s GLN 96 Cb 0.03 -3.60 0.06 0.00 1.10 0.00 0.00 33.01 30.59 1com s GLN 96 CO 0.01 -0.23 0.53 -0.08 -0.55 0.00 0.00 175.29 174.97 1com s THR 97 N 1.90 0.03 -0.17 -0.34 -1.32 0.46 -4.93 115.64 111.26 1com s THR 97 Ca 0.21 -0.22 0.21 0.00 -1.21 0.00 0.00 61.69 60.69 1com s THR 97 Cb -0.15 -1.05 -0.31 0.00 -1.51 0.00 0.00 72.50 69.47 1com s THR 97 CO 0.09 -0.12 0.52 0.47 -2.21 0.00 0.00 174.62 173.37 1com n ASP 98 N -0.19 0.29 -4.71 8.08 8.00 -1.26 -1.74 116.55 125.02 1com n ASP 98 Ca -0.17 -0.14 -0.42 0.00 0.71 0.00 0.00 54.79 54.77 1com n ASP 98 Cb 0.64 1.82 -0.03 0.00 -0.02 0.00 0.00 41.12 43.53 1com n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1com s VAL 99 N -3.39 2.54 0.85 2.53 1.01 -1.26 -4.94 120.40 117.75 1com s VAL 99 Ca -0.05 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 1com s VAL 99 Cb 0.14 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.38 1com s VAL 99 CO 0.87 0.01 0.75 -2.65 0.00 0.00 0.00 175.10 174.08 1com n PRO 100 N 4.57 -0.03 -0.30 2.72 -0.02 -1.26 -4.80 135.00 135.88 1com n PRO 100 Ca 0.15 0.05 0.05 0.00 -2.02 0.00 0.00 63.50 61.73 1com n PRO 100 Cb 0.38 -2.07 0.20 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.13 0.71 0.00 -0.52 4.15 -1.99 0.11 115.11 116.44 1com h GLN 101 Ca -0.45 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1com h GLN 101 Cb 1.30 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1com h GLN 101 CO 0.40 0.47 0.00 -0.40 -1.93 0.00 0.00 178.83 177.37 1com n ASP 102 N -4.79 0.00 -0.27 -0.69 5.75 -1.26 -3.09 116.55 112.20 1com n ASP 102 Ca 0.15 -0.90 0.03 0.00 -0.01 0.00 0.00 54.79 54.07 1com n ASP 102 Cb 0.35 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.93 0.24 -2.12 0.11 6.02 0.02 -4.99 117.38 115.73 1com n GLN 103 Ca 0.16 -0.99 -0.41 0.00 -0.01 0.00 0.00 57.00 55.75 1com n GLN 103 Cb 0.07 -1.13 -0.02 0.00 1.02 0.00 0.00 30.24 30.18 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 -0.59 2.80 -0.82 5.09 -1.09 -1.18 -4.95 121.20 120.46 1com s ILE 104 Ca 0.08 0.75 -0.14 0.00 -2.23 0.00 0.00 60.65 59.11 1com s ILE 104 Cb 0.06 -3.48 0.22 0.00 -1.58 0.00 0.00 42.46 37.68 1com s ILE 104 CO 0.08 0.16 0.75 -0.13 -1.23 0.00 0.00 174.94 174.57 1com s ARG 105 N -1.25 3.56 0.50 2.79 0.52 -1.26 -5.05 118.95 118.77 1com s ARG 105 Ca 0.52 -2.46 -0.21 0.00 -0.52 0.00 0.00 55.73 53.06 1com s ARG 105 Cb -0.39 -4.40 -0.07 0.00 0.52 0.00 0.00 34.95 30.60 1com s ARG 105 CO 0.48 -1.29 1.12 -1.01 0.02 0.00 0.00 175.30 174.63 1com s HIS 106 N 0.17 2.80 -0.10 -0.53 3.76 -1.26 -4.81 115.29 115.33 1com s HIS 106 Ca 0.18 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.66 1com s HIS 106 Cb -0.11 -3.27 0.01 0.00 1.11 0.00 0.00 32.58 30.32 1com s HIS 106 CO -0.09 -1.40 -0.16 0.08 -0.85 0.00 0.00 174.74 172.32 1com s VAL 107 N -1.73 1.53 -0.12 -0.90 1.01 -0.37 -4.98 120.40 114.84 1com s VAL 107 Ca 0.69 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1com s VAL 107 Cb -0.24 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1com s VAL 107 CO 0.28 0.45 -0.09 -0.31 0.00 0.00 0.00 175.10 175.43 1com s TYR 108 N 0.79 1.56 0.35 5.22 1.51 -1.26 -1.38 117.35 124.14 1com s TYR 108 Ca -0.11 -0.79 0.05 0.00 -1.01 0.00 0.00 57.07 55.21 1com s TYR 108 Cb -0.16 -1.27 -0.07 0.00 -0.11 0.00 0.00 41.96 40.36 1com s TYR 108 CO 0.02 -0.52 0.05 -0.51 -1.11 0.00 0.00 175.55 173.47 1com s LEU 109 N 1.64 2.37 0.00 -1.29 1.43 -0.26 -4.58 118.68 117.99 1com s LEU 109 Ca 0.04 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 1com s LEU 109 Cb -0.13 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1com s LEU 109 CO -0.08 -0.57 0.00 -0.62 0.23 0.00 0.00 176.35 175.31 1com n GLU 110 N -0.77 0.00 -0.04 1.70 -0.58 -1.26 -2.06 120.64 117.62 1com n GLU 110 Ca -0.03 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.82 1com n GLU 110 Cb 0.67 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 32.02 1com n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1com n LYS 111 N 14.00 1.50 0.00 3.49 4.76 -1.26 -3.53 118.16 137.12 1com n LYS 111 Ca 0.00 -0.74 0.14 0.00 -2.87 0.00 0.00 58.31 54.84 1com n LYS 111 Cb 0.00 -1.39 0.69 0.00 -1.84 0.00 0.00 35.03 32.49 1com n LYS 111 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1com n ALA 112 N -0.05 2.49 0.19 7.82 0.00 -0.88 -3.90 120.51 126.18 1com n ALA 112 Ca 0.17 -0.15 0.18 0.00 0.00 0.00 0.00 53.44 53.64 1com n ALA 112 Cb 0.26 -1.46 0.82 0.00 0.00 0.00 0.00 19.45 19.07 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 0.05 0.41 0.00 0.00 -1.51 -1.69 -1.20 116.25 112.31 1com h VAL 113 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1com h VAL 113 Cb 0.36 0.79 -0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1com h VAL 113 CO 0.00 0.00 -0.04 1.62 -1.23 0.00 0.00 177.57 177.92 1com h VAL 114 N 0.00 0.13 -0.68 7.19 3.04 -1.89 -3.35 116.25 120.68 1com h VAL 114 Ca 0.10 -0.53 -0.05 0.00 -1.01 0.00 0.00 66.70 65.20 1com h VAL 114 Cb 0.61 1.47 -0.03 0.00 -2.01 0.00 0.00 31.29 31.32 1com h VAL 114 CO -0.00 0.04 0.21 -0.07 -1.01 0.00 0.00 177.57 176.75 1com h LEU 115 N 0.00 0.98 -5.99 3.16 3.38 -1.52 -3.38 115.31 111.94 1com h LEU 115 Ca -0.00 -0.21 -0.45 0.00 0.09 0.00 0.00 57.88 57.32 1com h LEU 115 Cb 0.46 -0.26 -0.31 0.00 0.09 0.00 0.00 40.66 40.64 1com h LEU 115 CO 0.01 0.93 -0.81 -0.13 0.09 0.00 0.00 178.44 178.52 1com s ARG 116 N -5.42 0.91 -1.24 1.13 1.81 -1.26 -5.03 118.95 109.86 1com s ARG 116 Ca -0.12 -1.67 -0.06 0.00 -1.72 0.00 0.00 55.73 52.15 1com s ARG 116 Cb 0.14 -0.96 0.08 0.00 -0.45 0.00 0.00 34.95 33.76 1com s ARG 116 CO 0.83 -1.35 2.52 -0.35 -0.68 0.00 0.00 175.30 176.27 1com n PRO 117 N 3.05 4.21 0.00 3.54 -0.04 -1.26 -5.08 135.00 139.42 1com n PRO 117 Ca 0.24 -3.14 0.00 0.00 -0.04 0.00 0.00 63.50 60.56 1com n PRO 117 Cb 0.50 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1com n PRO 117 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06