#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 0.60 0.01 1.12 1.09 -1.26 -1.34 121.20 121.43 1com s ILE 3 Ca 0.00 -0.32 0.01 0.00 -1.10 0.00 0.00 60.65 59.23 1com s ILE 3 Cb 0.00 -0.51 -0.01 0.00 -1.06 0.00 0.00 42.46 40.88 1com s ILE 3 CO 0.00 0.17 -0.03 -0.13 -0.10 0.00 0.00 174.94 174.85 1com s ARG 4 N -0.16 0.27 0.15 2.79 1.81 0.35 -4.92 118.95 119.25 1com s ARG 4 Ca 0.03 -0.37 -0.13 0.00 -1.72 0.00 0.00 55.73 53.54 1com s ARG 4 Cb -0.03 -0.09 -0.07 0.00 -0.45 0.00 0.00 34.95 34.31 1com s ARG 4 CO -0.00 0.01 0.53 0.20 -0.68 0.00 0.00 175.30 175.36 1com s GLY 5 N -0.78 2.42 -0.26 -3.53 0.00 -1.26 -0.63 107.32 103.28 1com s GLY 5 Ca -0.07 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.50 1com s GLY 5 CO -0.00 0.07 -0.11 -0.42 0.00 0.00 0.00 173.10 172.64 1com s ILE 6 N -1.51 2.15 0.58 0.90 1.01 0.11 -4.92 121.20 119.53 1com s ILE 6 Ca 0.39 -1.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.26 1com s ILE 6 Cb -0.14 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1com s ILE 6 CO 0.19 -0.04 1.02 -0.13 0.00 0.00 0.00 174.94 175.98 1com s ARG 7 N 1.11 3.66 0.22 2.79 1.81 -1.26 -0.63 118.95 126.64 1com s ARG 7 Ca -0.09 0.91 -0.20 0.00 -1.72 0.00 0.00 55.73 54.63 1com s ARG 7 Cb -0.20 -2.09 0.04 0.00 -0.45 0.00 0.00 34.95 32.25 1com s ARG 7 CO -0.05 -0.52 0.62 0.20 -0.68 0.00 0.00 175.30 174.87 1com s GLY 8 N -3.51 -0.25 -0.18 -3.53 0.00 -0.74 -2.72 107.32 96.38 1com s GLY 8 Ca 0.58 -0.04 -0.28 0.00 0.00 0.00 0.00 44.72 44.98 1com s GLY 8 CO 0.42 -0.07 0.89 0.00 0.00 0.00 0.00 173.10 174.34 1com s ALA 9 N -3.85 -1.88 0.26 3.20 0.00 -0.74 -1.80 121.76 116.95 1com s ALA 9 Ca 0.07 1.67 -0.12 0.00 0.00 0.00 0.00 51.96 53.59 1com s ALA 9 Cb -0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 1com s ALA 9 CO -0.02 -0.31 0.50 -0.08 0.00 0.00 0.00 175.76 175.85 1com s THR 10 N -0.52 0.00 0.14 0.00 -1.32 -0.49 -0.84 115.64 112.60 1com s THR 10 Ca -0.02 -1.40 0.08 0.00 -1.21 0.00 0.00 61.69 59.13 1com s THR 10 Cb -0.02 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 1com s THR 10 CO 0.01 0.00 -0.17 0.42 -2.21 0.00 0.00 174.62 172.67 1com s THR 11 N -3.83 1.63 0.30 5.08 -4.23 -1.26 -1.35 115.64 111.98 1com s THR 11 Ca 0.23 -1.79 0.11 0.00 -1.18 0.00 0.00 61.69 59.06 1com s THR 11 Cb -0.01 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.09 1com s THR 11 CO 0.10 -0.31 -0.12 0.68 -0.54 0.00 0.00 174.62 174.43 1com s VAL 12 N -1.93 2.56 -0.19 2.29 -7.23 -0.64 -4.83 120.40 110.44 1com s VAL 12 Ca 0.12 -2.25 0.05 0.00 -1.81 0.00 0.00 61.98 58.09 1com s VAL 12 Cb -0.06 -2.51 -0.22 0.00 0.56 0.00 0.00 36.38 34.15 1com s VAL 12 CO 0.05 -0.32 0.08 -0.62 -0.31 0.00 0.00 175.10 173.98 1com n GLU 13 N -0.74 0.68 -4.68 4.82 -0.58 -1.26 -4.80 120.64 114.08 1com n GLU 13 Ca -0.05 0.15 -0.26 0.00 -0.42 0.00 0.00 57.16 56.59 1com n GLU 13 Cb 0.61 -1.60 -0.14 0.00 -0.57 0.00 0.00 31.44 29.74 1com n GLU 13 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1com s ARG 14 N -2.53 1.41 -0.96 3.49 0.52 -1.26 -5.05 118.95 114.56 1com s ARG 14 Ca -0.23 -0.91 -0.24 0.00 -0.52 0.00 0.00 55.73 53.84 1com s ARG 14 Cb 0.08 -1.50 0.01 0.00 0.52 0.00 0.00 34.95 34.06 1com s ARG 14 CO 0.72 0.39 1.63 0.34 0.02 0.00 0.00 175.30 178.39 1com s ASP 15 N -1.08 5.98 0.11 0.23 -1.08 -1.26 -4.66 116.67 114.91 1com s ASP 15 Ca 0.07 -1.10 -0.02 0.00 -0.52 0.00 0.00 52.55 50.98 1com s ASP 15 Cb -0.09 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.77 1com s ASP 15 CO 0.01 -1.98 0.07 0.42 0.52 0.00 0.00 175.17 174.22 1com s THR 16 N 6.90 0.13 0.02 1.71 -4.23 -1.26 -4.77 115.64 114.14 1com s THR 16 Ca 0.55 -1.80 -0.22 0.00 -1.18 0.00 0.00 61.69 59.04 1com s THR 16 Cb -0.03 -1.88 -0.16 0.00 1.34 0.00 0.00 72.50 71.77 1com s THR 16 CO -0.05 -0.57 1.30 -0.08 -0.54 0.00 0.00 174.62 174.68 1com h GLU 17 N 2.89 0.29 -0.10 3.99 4.81 -1.91 -2.15 114.58 122.39 1com h GLU 17 Ca -0.34 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1com h GLU 17 Cb 1.19 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1com h GLU 17 CO 0.59 0.72 -0.02 1.49 -0.73 0.00 0.00 179.01 181.07 1com h GLU 18 N -0.13 0.01 -0.58 1.92 4.81 -1.97 -0.70 114.58 117.94 1com h GLU 18 Ca 0.01 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1com h GLU 18 Cb 0.69 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1com h GLU 18 CO 0.03 0.01 -0.01 1.49 -0.73 0.00 0.00 179.01 179.80 1com h GLU 19 N 0.01 1.04 -0.13 1.92 4.81 -1.85 -0.97 114.58 119.40 1com h GLU 19 Ca 0.05 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1com h GLU 19 Cb 0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1com h GLU 19 CO -0.10 1.03 0.03 0.82 -0.73 0.00 0.00 179.01 180.06 1com h ILE 20 N 0.93 1.21 -0.26 2.32 2.04 -1.04 -1.37 117.51 121.33 1com h ILE 20 Ca 0.16 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1com h ILE 20 Cb 0.57 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1com h ILE 20 CO 0.03 0.19 0.04 -0.07 0.00 0.00 0.00 178.15 178.34 1com h LEU 21 N 0.01 0.42 0.15 1.44 3.38 -1.02 0.87 115.31 120.56 1com h LEU 21 Ca 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1com h LEU 21 Cb 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1com h LEU 21 CO 0.00 0.58 -0.07 -0.61 0.09 0.00 0.00 178.44 178.43 1com h GLN 22 N 0.24 -0.20 0.00 1.13 4.15 -1.17 -0.58 115.11 118.68 1com h GLN 22 Ca 0.08 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 1com h GLN 22 Cb 0.34 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 1com h GLN 22 CO 0.01 0.03 -0.14 0.87 -1.93 0.00 0.00 178.83 177.67 1com h LYS 23 N -0.40 0.00 -0.00 1.69 1.79 -1.15 -2.07 116.57 116.42 1com h LYS 23 Ca -0.02 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.35 1com h LYS 23 Cb 0.31 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1com h LYS 23 CO 0.03 0.14 -0.40 1.15 -1.08 0.00 0.00 179.45 179.30 1com h THR 24 N 0.00 1.49 -0.58 -0.16 2.02 -0.47 -2.30 112.91 112.92 1com h THR 24 Ca -0.00 -1.99 0.07 0.00 0.77 0.00 0.00 66.41 65.26 1com h THR 24 Cb 0.47 2.68 -0.06 0.00 -1.74 0.00 0.00 68.15 69.51 1com h THR 24 CO 0.02 0.56 0.25 0.50 0.37 0.00 0.00 175.52 177.22 1com h LYS 25 N -0.33 0.46 -0.50 6.66 3.64 -0.93 -1.14 116.57 124.43 1com h LYS 25 Ca -0.05 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1com h LYS 25 Cb 1.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1com h LYS 25 CO 0.08 0.30 0.23 1.96 -2.27 0.00 0.00 179.45 179.75 1com h GLN 26 N 0.47 0.73 -0.23 1.90 4.20 -1.40 0.14 115.11 120.93 1com h GLN 26 Ca 0.28 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.92 1com h GLN 26 Cb 0.27 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1com h GLN 26 CO -0.24 0.63 -0.09 1.25 -0.67 0.00 0.00 178.83 179.71 1com h LEU 27 N 0.67 -0.30 0.08 1.46 5.85 -0.65 -0.15 115.31 122.27 1com h LEU 27 Ca 0.17 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1com h LEU 27 Cb 0.14 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1com h LEU 27 CO -0.02 -0.11 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.85 1com h LEU 28 N -0.05 -0.11 -0.63 2.25 3.38 -0.97 0.14 115.31 119.34 1com h LEU 28 Ca 0.12 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1com h LEU 28 Cb 0.22 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1com h LEU 28 CO -0.26 -0.07 0.32 -0.33 0.09 0.00 0.00 178.44 178.19 1com h GLU 29 N -0.11 0.57 -0.78 1.13 5.08 -0.32 0.21 114.58 120.36 1com h GLU 29 Ca -0.01 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1com h GLU 29 Cb 0.09 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1com h GLU 29 CO 0.01 0.38 0.28 -0.22 -1.00 0.00 0.00 179.01 178.46 1com h LYS 30 N 0.59 1.18 -0.36 2.33 1.63 -0.56 -0.16 116.57 121.21 1com h LYS 30 Ca 0.29 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1com h LYS 30 Cb 0.23 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1com h LYS 30 CO -0.21 0.97 0.18 0.82 -3.45 0.00 0.00 179.45 177.77 1com h ILE 31 N 1.14 1.16 0.08 2.00 2.04 0.12 -2.29 117.51 121.76 1com h ILE 31 Ca 0.26 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1com h ILE 31 Cb 0.26 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1com h ILE 31 CO -0.02 0.16 -0.04 0.40 0.00 0.00 0.00 178.15 178.66 1com h ILE 32 N 0.45 0.91 -0.09 -0.67 2.04 -0.29 -1.50 117.51 118.37 1com h ILE 32 Ca 0.13 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1com h ILE 32 Cb 0.10 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1com h ILE 32 CO -0.02 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.75 1com h GLU 33 N -0.11 -0.39 0.00 2.37 4.81 -0.89 0.39 114.58 120.76 1com h GLU 33 Ca -0.01 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1com h GLU 33 Cb 0.09 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1com h GLU 33 CO 0.01 -0.26 -0.14 0.93 -0.73 0.00 0.00 179.01 178.83 1com h GLU 34 N -0.40 0.00 0.00 1.92 5.08 -1.34 -3.26 114.58 116.58 1com h GLU 34 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1com h GLU 34 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1com h GLU 34 CO -0.31 0.14 -0.58 0.09 -1.00 0.00 0.00 179.01 177.34 1com n ASN 35 N -3.30 0.91 -2.90 1.42 3.02 -0.57 -4.81 115.26 109.02 1com n ASN 35 Ca 0.00 -0.56 -0.16 0.00 -0.03 0.00 0.00 54.58 53.83 1com n ASN 35 Cb 0.37 1.08 0.07 0.00 -0.61 0.00 0.00 39.78 40.68 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 -1.31 -1.98 -2.71 3.10 8.25 0.13 -4.99 115.22 115.70 1com n HIS 36 Ca 0.01 0.76 -0.42 0.00 -0.26 0.00 0.00 57.72 57.81 1com n HIS 36 Cb 0.15 -4.28 -0.03 0.00 1.12 0.00 0.00 29.99 26.95 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 -3.26 4.80 0.07 1.59 2.01 -1.17 -5.06 115.64 114.61 1com s THR 37 Ca 0.23 2.06 0.03 0.00 0.31 0.00 0.00 61.69 64.32 1com s THR 37 Cb -0.10 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 1com s THR 37 CO 0.57 0.19 0.06 -0.54 -0.69 0.00 0.00 174.62 174.20 1com s LYS 38 N 0.83 2.82 0.20 4.92 -0.14 -1.26 -4.96 119.74 122.16 1com s LYS 38 Ca 0.51 -0.70 -0.14 0.00 -1.36 0.00 0.00 55.97 54.29 1com s LYS 38 Cb -0.21 -2.70 0.22 0.00 -1.68 0.00 0.00 37.83 33.46 1com s LYS 38 CO 0.28 0.57 1.65 -1.00 -0.76 0.00 0.00 175.35 176.09 1com h PRO 39 N 3.46 0.04 0.00 -1.68 0.13 -1.96 -1.86 132.00 130.12 1com h PRO 39 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1com h PRO 39 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1com h PRO 39 CO 0.64 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.58 1com n GLU 40 N -5.35 0.27 -0.11 0.86 0.00 -1.26 -0.36 120.64 114.68 1com n GLU 40 Ca 0.07 0.03 0.11 0.00 0.00 0.00 0.00 57.16 57.37 1com n GLU 40 Cb 0.31 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.41 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 -1.04 3.21 -4.50 -1.84 8.00 -0.70 -4.88 116.55 114.80 1com n ASP 41 Ca 0.07 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.18 1com n ASP 41 Cb 0.04 -0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.62 5.17 0.09 2.53 1.01 0.52 -0.06 120.40 128.04 1com s VAL 42 Ca 0.33 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 1com s VAL 42 Cb 0.21 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.54 1com s VAL 42 CO 0.30 -0.25 1.65 0.58 0.00 0.00 0.00 175.10 177.38 1com h VAL 43 N 5.62 0.51 -1.58 2.92 2.07 -0.98 -3.45 116.25 121.36 1com h VAL 43 Ca -0.28 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.51 1com h VAL 43 Cb 1.13 0.51 -0.14 0.00 -1.52 0.00 0.00 31.29 31.26 1com h VAL 43 CO 0.73 0.00 0.77 0.00 0.02 0.00 0.00 177.57 179.10 1com s GLN 44 N -6.09 0.46 0.01 1.57 -2.07 -1.22 -4.45 119.66 107.87 1com s GLN 44 Ca -0.16 -0.22 0.02 0.00 -1.82 0.00 0.00 55.36 53.18 1com s GLN 44 Cb 0.06 0.17 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 1com s GLN 44 CO 0.64 -0.21 -0.08 1.41 -1.32 0.00 0.00 175.29 175.74 1com s MET 45 N -2.54 0.58 -0.06 9.60 1.75 0.83 -1.20 119.30 128.26 1com s MET 45 Ca 0.12 -0.37 0.06 0.00 -1.25 0.00 0.00 55.69 54.25 1com s MET 45 Cb 0.02 -0.53 -0.01 0.00 2.84 0.00 0.00 34.83 37.15 1com s MET 45 CO -0.04 0.14 -0.24 -0.51 -0.65 0.00 0.00 175.02 173.71 1com s LEU 46 N -0.47 2.11 -0.10 4.11 1.43 -0.69 -2.18 118.68 122.89 1com s LEU 46 Ca 0.01 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 1com s LEU 46 Cb -0.04 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.80 1com s LEU 46 CO -0.00 0.25 -0.23 -0.76 0.23 0.00 0.00 176.35 175.84 1com s LEU 47 N -0.21 2.07 0.02 1.79 1.43 -0.87 -1.26 118.68 121.65 1com s LEU 47 Ca -0.02 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1com s LEU 47 Cb -0.13 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1com s LEU 47 CO 0.03 0.15 -0.20 -0.94 0.23 0.00 0.00 176.35 175.63 1com s SER 48 N 0.38 3.67 0.17 2.29 1.04 -0.62 -1.71 113.70 118.91 1com s SER 48 Ca -0.18 -0.43 0.11 0.00 0.48 0.00 0.00 55.95 55.93 1com s SER 48 Cb -0.18 -0.57 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 1com s SER 48 CO 0.08 0.27 -0.24 0.00 0.98 0.00 0.00 173.24 174.34 1com s ALA 49 N -0.85 2.52 0.75 5.32 0.00 -1.05 -0.75 121.76 127.70 1com s ALA 49 Ca 0.13 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.43 1com s ALA 49 Cb -0.10 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.67 1com s ALA 49 CO 0.04 0.48 1.08 0.95 0.00 0.00 0.00 175.76 178.31 1com s THR 50 N -1.43 3.48 -1.72 0.00 -4.23 -0.39 -1.04 115.64 110.30 1com s THR 50 Ca 0.19 0.48 0.09 0.00 -1.18 0.00 0.00 61.69 61.26 1com s THR 50 Cb -0.09 -3.21 0.21 0.00 1.34 0.00 0.00 72.50 70.74 1com s THR 50 CO 0.09 -0.63 1.07 -0.81 -0.54 0.00 0.00 174.62 173.80 1com n PRO 51 N -3.31 0.21 -0.17 3.99 -0.04 -1.26 -2.19 135.00 132.22 1com n PRO 51 Ca 0.07 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 1com n PRO 51 Cb 0.55 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.14 2.30 -4.24 3.54 5.68 -1.26 -4.84 116.55 116.58 1com n ASP 52 Ca 0.05 -1.89 -0.33 0.00 -0.50 0.00 0.00 54.79 52.12 1com n ASP 52 Cb 0.05 -0.22 -0.15 0.00 -1.14 0.00 0.00 41.12 39.65 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 -1.28 2.45 0.00 -2.12 1.43 -0.93 -4.89 118.68 113.35 1com s LEU 53 Ca 0.32 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1com s LEU 53 Cb 0.17 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1com s LEU 53 CO 0.24 0.06 0.13 1.41 0.23 0.00 0.00 176.35 178.42 1com n HIS 54 N 4.21 0.00 -0.03 0.29 8.25 -1.26 -4.92 115.22 121.76 1com n HIS 54 Ca -0.19 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.11 1com n HIS 54 Cb 0.51 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.54 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 0.20 -2.64 -1.41 0.00 -1.88 -3.47 119.26 110.06 1com h ALA 55 Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1com h ALA 55 Cb 0.29 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.93 1com h ALA 55 CO 0.00 0.34 -0.21 0.54 0.00 0.00 0.00 179.25 179.92 1com s VAL 56 N -3.73 0.10 0.11 0.00 0.11 -1.26 -4.79 120.40 110.94 1com s VAL 56 Ca -0.13 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 57.79 1com s VAL 56 Cb 0.05 -1.22 -0.06 0.00 -1.53 0.00 0.00 36.38 33.62 1com s VAL 56 CO 0.81 -0.46 1.13 -0.36 -3.33 0.00 0.00 175.10 172.90 1com s PHE 57 N -3.74 3.53 0.58 1.54 0.08 -1.26 -4.92 117.98 113.78 1com s PHE 57 Ca 0.03 1.48 0.28 0.00 0.12 0.00 0.00 56.93 58.84 1com s PHE 57 Cb 0.03 -3.32 1.73 0.00 -0.57 0.00 0.00 43.02 40.89 1com s PHE 57 CO -0.11 -0.85 2.22 -1.35 -0.10 0.00 0.00 175.22 175.04 1com h PRO 58 N 6.04 0.00 0.00 0.24 0.11 -1.95 -2.15 132.00 134.29 1com h PRO 58 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1com h PRO 58 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1com h PRO 58 CO 0.77 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1com h ALA 59 N 1.97 1.00 0.00 -0.75 0.00 -1.95 -1.30 119.26 118.22 1com h ALA 59 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1com h ALA 59 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1com h ALA 59 CO -0.00 0.00 -0.01 -0.22 0.00 0.00 0.00 179.25 179.02 1com h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.79 -2.30 116.57 116.12 1com h LYS 60 Ca 0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1com h LYS 60 Cb 0.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1com h LYS 60 CO 0.00 0.01 -0.75 0.00 -2.27 0.00 0.00 179.45 176.45 1com h ALA 61 N 1.99 0.62 -0.65 5.00 0.00 -1.45 -3.28 119.26 121.49 1com h ALA 61 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1com h ALA 61 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1com h ALA 61 CO 0.00 0.93 0.40 0.28 0.00 0.00 0.00 179.25 180.86 1com h VAL 62 N 0.00 1.18 -0.00 0.00 2.07 -1.56 -2.23 116.25 115.70 1com h VAL 62 Ca -0.01 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1com h VAL 62 Cb 1.45 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1com h VAL 62 CO 0.10 0.19 -0.04 0.54 0.02 0.00 0.00 177.57 178.38 1com n ARG 63 N -4.41 0.70 0.06 1.57 1.74 -1.24 -1.58 116.66 113.50 1com n ARG 63 Ca 0.06 -0.12 0.13 0.00 -0.77 0.00 0.00 57.85 57.16 1com n ARG 63 Cb 0.06 -1.50 0.50 0.00 -1.02 0.00 0.00 32.46 30.51 1com n ARG 63 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1com n GLU 64 N -1.05 0.14 -3.20 5.56 1.02 -0.84 -4.65 120.64 117.62 1com n GLU 64 Ca 0.17 0.11 -0.39 0.00 -0.02 0.00 0.00 57.16 57.03 1com n GLU 64 Cb 0.23 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.93 1com n GLU 64 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1com s LEU 65 N -3.81 4.27 0.44 -4.62 1.43 -0.61 -5.04 118.68 110.73 1com s LEU 65 Ca 0.12 0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 53.92 1com s LEU 65 Cb 0.15 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.45 1com s LEU 65 CO 0.57 -0.08 1.09 -0.44 0.23 0.00 0.00 176.35 177.72 1com s SER 66 N 0.77 6.43 0.00 2.29 0.01 -1.26 -3.20 113.70 118.73 1com s SER 66 Ca 0.30 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.68 1com s SER 66 Cb -0.16 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1com s SER 66 CO 0.13 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.66 1com n GLY 67 N 0.27 0.59 1.17 3.44 0.00 -1.26 -4.88 105.19 104.52 1com n GLY 67 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.52 0.68 0.70 1.61 7.02 -1.19 -4.64 117.44 119.10 1com n TRP 68 Ca 0.00 -0.37 0.08 0.00 -1.02 0.00 0.00 57.50 56.19 1com n TRP 68 Cb 0.04 -0.00 0.39 0.00 -2.42 0.00 0.00 31.31 29.32 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 1.44 0.16 -0.02 -0.99 0.00 -1.26 -2.43 117.38 114.28 1com n GLN 69 Ca 0.20 0.16 0.09 0.00 0.00 0.00 0.00 57.00 57.45 1com n GLN 69 Cb 0.59 -1.50 0.08 0.00 0.00 0.00 0.00 30.24 29.41 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 -1.35 0.05 -2.42 2.61 4.01 -1.26 -4.93 117.16 113.87 1com n TYR 70 Ca 0.06 -0.03 -0.43 0.00 -0.16 0.00 0.00 57.90 57.34 1com n TYR 70 Cb 0.15 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.42 4.13 -0.01 -0.72 1.01 -1.02 -4.96 120.40 117.42 1com s VAL 71 Ca 0.21 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1com s VAL 71 Cb 0.15 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 1com s VAL 71 CO 0.22 -0.46 2.02 -2.84 0.00 0.00 0.00 175.10 174.04 1com s PRO 72 N 4.16 3.95 0.09 2.72 0.02 -1.26 -4.89 135.00 139.79 1com s PRO 72 Ca 0.56 2.52 0.07 0.00 0.02 0.00 0.00 61.00 64.17 1com s PRO 72 Cb -0.17 -4.21 -0.03 0.00 0.02 0.00 0.00 34.50 30.11 1com s PRO 72 CO 0.23 -1.17 -0.17 0.08 -0.33 0.00 0.00 177.00 175.63 1com s VAL 73 N 5.20 1.41 -0.15 3.83 1.01 -1.26 -0.12 120.40 130.32 1com s VAL 73 Ca 0.91 -1.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1com s VAL 73 Cb -0.41 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 34.71 1com s VAL 73 CO 0.41 -0.14 0.56 0.28 0.00 0.00 0.00 175.10 176.20 1com s THR 74 N -1.22 0.01 0.63 3.92 -1.32 -0.93 -4.98 115.64 111.76 1com s THR 74 Ca 0.02 -0.07 0.05 0.00 -1.21 0.00 0.00 61.69 60.49 1com s THR 74 Cb -0.10 -0.82 0.11 0.00 -1.51 0.00 0.00 72.50 70.19 1com s THR 74 CO 0.03 -0.04 0.87 0.00 -2.21 0.00 0.00 174.62 173.27 1com s MET 76 N -4.78 0.86 -0.21 0.00 0.23 -0.70 -4.85 119.30 109.85 1com s MET 76 Ca 0.62 -0.46 -0.10 0.00 -1.03 0.00 0.00 55.69 54.72 1com s MET 76 Cb -0.04 0.30 -0.05 0.00 -1.53 0.00 0.00 34.83 33.51 1com s MET 76 CO 0.40 -0.39 0.13 -1.14 -2.03 0.00 0.00 175.02 171.99 1com s GLN 77 N -2.95 4.09 0.29 3.16 0.74 -1.26 -2.54 119.66 121.19 1com s GLN 77 Ca 0.12 -0.27 -0.29 0.00 0.05 0.00 0.00 55.36 54.97 1com s GLN 77 Cb 0.01 -3.43 -0.10 0.00 1.10 0.00 0.00 33.01 30.59 1com s GLN 77 CO -0.01 0.19 1.29 -2.00 -0.55 0.00 0.00 175.29 174.21 1com s GLU 78 N 0.67 4.39 0.29 1.67 2.56 -0.21 -4.92 118.70 123.15 1com s GLU 78 Ca 0.07 2.14 -0.29 0.00 0.00 0.00 0.00 54.97 56.89 1com s GLU 78 Cb -0.12 -3.11 -0.10 0.00 2.00 0.00 0.00 34.13 32.79 1com s GLU 78 CO 0.01 -0.17 1.39 0.00 -0.56 0.00 0.00 175.26 175.92 1com s MET 79 N -1.31 4.30 -0.52 4.30 0.23 -1.26 -4.39 119.30 120.65 1com s MET 79 Ca 0.51 2.28 -0.24 0.00 -1.03 0.00 0.00 55.69 57.20 1com s MET 79 Cb -0.38 -3.09 0.04 0.00 -1.53 0.00 0.00 34.83 29.87 1com s MET 79 CO 0.48 -0.33 0.91 0.34 -2.03 0.00 0.00 175.02 174.39 1com s ASP 80 N -0.00 6.38 -0.09 -1.18 2.15 -1.26 -4.96 116.67 117.71 1com s ASP 80 Ca 0.55 -0.25 -0.01 0.00 0.43 0.00 0.00 52.55 53.27 1com s ASP 80 Cb -0.41 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 39.75 1com s ASP 80 CO 0.48 -1.15 -0.04 -0.69 -0.17 0.00 0.00 175.17 173.61 1com s VAL 81 N 3.80 3.96 -0.13 1.11 1.01 -1.26 -5.06 120.40 123.83 1com s VAL 81 Ca 0.31 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1com s VAL 81 Cb -0.12 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1com s VAL 81 CO 0.21 0.59 1.48 -0.89 0.00 0.00 0.00 175.10 176.48 1com s THR 82 N -0.69 3.90 0.00 3.92 2.01 -1.26 -2.01 115.64 121.51 1com s THR 82 Ca 0.11 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.19 1com s THR 82 Cb -0.11 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1com s THR 82 CO 0.02 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 1com n GLY 83 N 4.01 0.39 3.89 4.40 0.00 -1.26 -5.07 105.19 111.55 1com n GLY 83 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.26 1.62 0.17 -0.02 0.00 -0.85 -5.02 107.32 101.96 1com s GLY 84 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 1com s GLY 84 CO 0.00 -0.10 1.25 -2.27 0.00 0.00 0.00 173.10 171.98 1com s LEU 85 N -5.21 4.42 0.49 0.66 2.96 -1.26 -4.99 118.68 115.75 1com s LEU 85 Ca 0.56 2.28 -0.08 0.00 -0.22 0.00 0.00 54.13 56.67 1com s LEU 85 Cb -0.11 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1com s LEU 85 CO 0.50 -0.46 0.84 -0.54 -1.32 0.00 0.00 176.35 175.36 1com s LYS 86 N 0.07 3.62 -1.42 1.98 -0.14 -1.26 -4.09 119.74 118.49 1com s LYS 86 Ca 0.56 0.39 -0.10 0.00 -1.36 0.00 0.00 55.97 55.46 1com s LYS 86 Cb -0.34 -2.31 0.06 0.00 -1.68 0.00 0.00 37.83 33.56 1com s LYS 86 CO 0.36 -0.24 0.66 1.63 -0.76 0.00 0.00 175.35 177.00 1com n LYS 87 N -2.12 -4.31 -3.56 1.68 5.02 -1.26 -4.83 118.16 108.78 1com n LYS 87 Ca 0.02 0.60 -0.36 0.00 -2.02 0.00 0.00 58.31 56.55 1com n LYS 87 Cb 0.55 -5.39 -0.07 0.00 -0.02 0.00 0.00 35.03 30.09 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 0.47 3.55 0.20 0.00 1.01 -0.46 -1.27 121.20 124.71 1com s ILE 89 Ca 0.15 -0.49 0.10 0.00 0.00 0.00 0.00 60.65 60.42 1com s ILE 89 Cb -0.13 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1com s ILE 89 CO 0.03 0.52 -0.21 -0.13 0.00 0.00 0.00 174.94 175.16 1com s ARG 90 N 0.13 1.46 0.02 2.79 0.52 0.07 -1.40 118.95 122.53 1com s ARG 90 Ca -0.03 -1.54 -0.01 0.00 -0.52 0.00 0.00 55.73 53.63 1com s ARG 90 Cb -0.14 -1.61 -0.02 0.00 0.52 0.00 0.00 34.95 33.70 1com s ARG 90 CO 0.04 0.33 0.00 0.54 0.02 0.00 0.00 175.30 176.23 1com s VAL 91 N -2.04 0.11 -0.17 3.52 0.11 -0.75 -1.59 120.40 119.60 1com s VAL 91 Ca 0.21 -0.89 -0.01 0.00 -2.93 0.00 0.00 61.98 58.36 1com s VAL 91 Cb -0.06 -0.31 0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1com s VAL 91 CO 0.10 -0.49 -0.03 -0.32 -3.33 0.00 0.00 175.10 171.03 1com s MET 92 N -1.49 1.22 -0.19 1.54 1.75 -0.39 -1.80 119.30 119.94 1com s MET 92 Ca -0.15 -0.47 -0.05 0.00 -1.25 0.00 0.00 55.69 53.76 1com s MET 92 Cb -0.09 -1.97 -0.03 0.00 2.84 0.00 0.00 34.83 35.58 1com s MET 92 CO -0.01 -0.47 0.00 1.41 -0.65 0.00 0.00 175.02 175.31 1com s MET 93 N 1.69 3.70 -0.34 4.11 1.75 0.20 -1.70 119.30 128.71 1com s MET 93 Ca 0.00 -0.49 -0.12 0.00 -1.25 0.00 0.00 55.69 53.84 1com s MET 93 Cb -0.16 -3.07 -0.01 0.00 2.84 0.00 0.00 34.83 34.43 1com s MET 93 CO -0.07 0.11 0.22 0.99 -0.65 0.00 0.00 175.02 175.62 1com s THR 94 N 0.75 5.07 0.17 10.11 2.01 -0.34 0.07 115.64 133.47 1com s THR 94 Ca 0.00 -0.33 0.11 0.00 0.31 0.00 0.00 61.69 61.79 1com s THR 94 Cb -0.14 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1com s THR 94 CO 0.02 -0.02 -0.25 0.68 -0.69 0.00 0.00 174.62 174.37 1com s VAL 95 N 1.68 2.29 -0.36 3.82 -7.23 0.20 -0.32 120.40 120.48 1com s VAL 95 Ca 0.05 -1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 58.03 1com s VAL 95 Cb -0.17 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.72 1com s VAL 95 CO 0.09 -0.05 0.95 -1.58 -0.31 0.00 0.00 175.10 174.20 1com s GLN 96 N -2.45 3.89 -0.07 4.82 0.74 0.91 -0.49 119.66 127.00 1com s GLN 96 Ca 0.18 0.67 -0.17 0.00 0.05 0.00 0.00 55.36 56.09 1com s GLN 96 Cb -0.09 -3.79 0.04 0.00 1.10 0.00 0.00 33.01 30.27 1com s GLN 96 CO 0.08 -0.94 0.40 -0.08 -0.55 0.00 0.00 175.29 174.21 1com s THR 97 N 3.51 0.03 -1.57 -0.34 -1.32 -0.45 -4.91 115.64 110.58 1com s THR 97 Ca 0.39 -0.25 0.25 0.00 -1.21 0.00 0.00 61.69 60.88 1com s THR 97 Cb -0.12 -0.67 0.14 0.00 -1.51 0.00 0.00 72.50 70.34 1com s THR 97 CO 0.18 -0.14 1.42 0.47 -2.21 0.00 0.00 174.62 174.35 1com n ASP 98 N 1.73 1.04 -4.71 8.08 8.00 -1.26 -0.56 116.55 128.86 1com n ASP 98 Ca -0.18 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 1com n ASP 98 Cb 0.56 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 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 -2.64 2.34 0.95 2.53 1.01 -1.26 -4.91 120.40 118.42 1com s VAL 99 Ca 0.19 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1com s VAL 99 Cb 0.18 -3.11 0.16 0.00 0.00 0.00 0.00 36.38 33.61 1com s VAL 99 CO 0.59 0.01 1.11 -2.16 0.00 0.00 0.00 175.10 174.65 1com s PRO 100 N 1.49 0.82 0.13 2.72 0.04 -1.26 -4.88 135.00 134.06 1com s PRO 100 Ca 0.74 0.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.00 1com s PRO 100 Cb -0.47 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1com s PRO 100 CO 0.32 -2.45 1.66 0.37 0.04 0.00 0.00 177.00 176.94 1com h GLN 101 N -1.69 -0.25 0.00 4.56 4.15 -1.99 -1.84 115.11 118.06 1com h GLN 101 Ca -0.52 0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1com h GLN 101 Cb 1.32 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.07 1com h GLN 101 CO 0.59 -0.16 0.00 -0.40 -1.93 0.00 0.00 178.83 176.93 1com n ASP 102 N -5.32 0.00 -0.57 -0.69 5.75 -1.26 -2.34 116.55 112.12 1com n ASP 102 Ca -0.04 -0.39 0.06 0.00 -0.01 0.00 0.00 54.79 54.42 1com n ASP 102 Cb 0.23 -0.10 0.08 0.00 -1.03 0.00 0.00 41.12 40.30 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 -1.10 1.24 -2.47 0.11 6.02 -0.70 -4.97 117.38 115.52 1com n GLN 103 Ca 0.13 -1.46 -0.41 0.00 -0.01 0.00 0.00 57.00 55.24 1com n GLN 103 Cb 0.10 -1.26 -0.04 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.06 3.77 -0.36 5.09 -1.09 -0.99 -4.92 121.20 121.63 1com s ILE 104 Ca 0.18 1.51 -0.15 0.00 -2.23 0.00 0.00 60.65 59.96 1com s ILE 104 Cb 0.11 -3.96 -0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1com s ILE 104 CO 0.17 0.25 0.35 -0.13 -1.23 0.00 0.00 174.94 174.35 1com s ARG 105 N -0.32 3.39 -0.20 2.79 0.52 -1.26 -5.05 118.95 118.83 1com s ARG 105 Ca 0.51 -0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 54.99 1com s ARG 105 Cb -0.30 -3.86 -0.05 0.00 0.52 0.00 0.00 34.95 31.26 1com s ARG 105 CO 0.36 -0.60 0.27 -1.01 0.02 0.00 0.00 175.30 174.33 1com s HIS 106 N 1.95 3.40 -0.28 -0.53 3.76 -1.26 -4.84 115.29 117.48 1com s HIS 106 Ca 0.10 0.48 -0.12 0.00 -0.15 0.00 0.00 55.06 55.37 1com s HIS 106 Cb -0.17 -2.35 -0.05 0.00 1.11 0.00 0.00 32.58 31.12 1com s HIS 106 CO 0.12 0.14 0.23 0.08 -0.85 0.00 0.00 174.74 174.45 1com s VAL 107 N 0.82 5.28 -0.34 -0.90 1.01 -1.10 -4.97 120.40 120.20 1com s VAL 107 Ca 0.14 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1com s VAL 107 Cb -0.13 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.75 1com s VAL 107 CO 0.04 0.23 0.08 -0.31 0.00 0.00 0.00 175.10 175.14 1com s TYR 108 N 1.80 3.36 0.38 5.22 2.02 -1.26 -1.79 117.35 127.09 1com s TYR 108 Ca 0.09 -1.96 0.08 0.00 -0.37 0.00 0.00 57.07 54.90 1com s TYR 108 Cb -0.16 -2.47 -0.01 0.00 -0.40 0.00 0.00 41.96 38.91 1com s TYR 108 CO 0.11 -0.84 0.41 -0.51 -1.57 0.00 0.00 175.55 173.14 1com s LEU 109 N 1.24 3.59 0.00 -1.29 1.43 -0.02 -3.96 118.68 119.68 1com s LEU 109 Ca -0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1com s LEU 109 Cb -0.21 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1com s LEU 109 CO -0.01 -0.56 0.00 -0.62 0.23 0.00 0.00 176.35 175.38 1com n GLU 110 N -1.58 0.00 0.09 1.70 -0.58 -1.26 -0.99 120.64 118.03 1com n GLU 110 Ca 0.03 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.85 1com n GLU 110 Cb 0.60 0.00 0.41 0.00 -0.57 0.00 0.00 31.44 31.88 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 0.11 0.00 3.49 5.02 -1.26 -2.48 118.16 137.04 1com n LYS 111 Ca 0.00 0.46 0.11 0.00 -2.02 0.00 0.00 58.31 56.86 1com n LYS 111 Cb 0.00 -1.77 0.61 0.00 -0.02 0.00 0.00 35.03 33.86 1com n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1com n ALA 112 N -1.68 2.23 0.08 7.82 0.00 -0.16 -2.69 120.51 126.11 1com n ALA 112 Ca 0.01 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.39 1com n ALA 112 Cb 0.13 -1.38 0.28 0.00 0.00 0.00 0.00 19.45 18.49 1com n ALA 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1com n VAL 113 N -1.21 1.53 1.67 0.00 0.24 -1.04 -1.31 118.33 118.22 1com n VAL 113 Ca 0.13 0.62 0.03 0.00 -2.04 0.00 0.00 64.34 63.07 1com n VAL 113 Cb 0.16 -1.62 0.11 0.00 -1.47 0.00 0.00 33.84 31.02 1com n VAL 113 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1com n VAL 114 N -1.86 0.13 0.52 3.34 3.14 -1.10 -5.06 118.33 117.45 1com n VAL 114 Ca -0.01 -0.14 0.06 0.00 -2.96 0.00 0.00 64.34 61.30 1com n VAL 114 Cb 0.02 0.05 0.05 0.00 -1.06 0.00 0.00 33.84 32.90 1com n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55