#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 3.06 -0.04 1.12 -4.36 -1.26 -1.26 121.20 118.46 1com s ILE 3 Ca 0.00 -1.79 -0.12 0.00 -0.26 0.00 0.00 60.65 58.49 1com s ILE 3 Cb 0.00 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 41.20 1com s ILE 3 CO 0.00 -0.16 0.27 -0.13 0.24 0.00 0.00 174.94 175.16 1com s ARG 4 N -2.95 0.53 0.01 0.37 1.81 0.95 -4.88 118.95 114.79 1com s ARG 4 Ca 0.25 -0.05 -0.20 0.00 -1.72 0.00 0.00 55.73 54.01 1com s ARG 4 Cb -0.08 0.24 -0.06 0.00 -0.45 0.00 0.00 34.95 34.60 1com s ARG 4 CO 0.15 -0.12 0.57 0.20 -0.68 0.00 0.00 175.30 175.41 1com s GLY 5 N -0.88 2.60 -0.10 -3.53 0.00 -1.26 -0.77 107.32 103.39 1com s GLY 5 Ca -0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 1com s GLY 5 CO 0.02 0.64 -0.03 -0.42 0.00 0.00 0.00 173.10 173.32 1com s ILE 6 N -0.41 4.05 0.08 0.90 1.01 0.41 -4.94 121.20 122.29 1com s ILE 6 Ca 0.30 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.66 1com s ILE 6 Cb -0.18 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1com s ILE 6 CO 0.17 0.58 -0.04 -0.13 0.00 0.00 0.00 174.94 175.52 1com s ARG 7 N -0.58 2.44 0.04 2.79 1.81 -1.26 -1.02 118.95 123.16 1com s ARG 7 Ca 0.09 -0.87 -0.10 0.00 -1.72 0.00 0.00 55.73 53.14 1com s ARG 7 Cb -0.12 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 31.91 1com s ARG 7 CO 0.02 0.54 0.20 0.20 -0.68 0.00 0.00 175.30 175.58 1com s GLY 8 N -2.15 0.03 -0.06 -3.53 0.00 -0.73 -1.55 107.32 99.32 1com s GLY 8 Ca 0.23 -0.26 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 1com s GLY 8 CO 0.15 -0.44 0.39 0.00 0.00 0.00 0.00 173.10 173.21 1com s ALA 9 N -2.50 -1.00 0.24 3.20 0.00 -0.58 -1.21 121.76 119.92 1com s ALA 9 Ca -0.06 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.44 1com s ALA 9 Cb -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1com s ALA 9 CO -0.04 -0.25 0.65 -0.08 0.00 0.00 0.00 175.76 176.04 1com s THR 10 N -0.81 0.00 0.05 0.00 -1.32 -0.66 -0.59 115.64 112.32 1com s THR 10 Ca -0.09 -0.84 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 1com s THR 10 Cb -0.04 -1.79 -0.03 0.00 -1.51 0.00 0.00 72.50 69.14 1com s THR 10 CO 0.04 -0.02 -0.09 0.42 -2.21 0.00 0.00 174.62 172.76 1com s THR 11 N -3.89 0.70 0.48 5.08 -4.23 -1.26 -0.73 115.64 111.79 1com s THR 11 Ca 0.10 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 1com s THR 11 Cb -0.04 -0.80 -0.00 0.00 1.34 0.00 0.00 72.50 73.00 1com s THR 11 CO 0.02 -0.37 0.32 0.68 -0.54 0.00 0.00 174.62 174.73 1com s VAL 12 N -1.50 2.03 -0.17 2.29 -7.23 0.23 -4.77 120.40 111.28 1com s VAL 12 Ca -0.06 -1.54 0.18 0.00 -1.81 0.00 0.00 61.98 58.75 1com s VAL 12 Cb -0.09 -2.57 -0.26 0.00 0.56 0.00 0.00 36.38 34.02 1com s VAL 12 CO 0.01 0.00 0.17 -0.62 -0.31 0.00 0.00 175.10 174.35 1com n GLU 13 N -1.55 0.68 -4.02 4.82 -0.58 -1.26 -4.85 120.64 113.88 1com n GLU 13 Ca -0.01 -0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.61 1com n GLU 13 Cb 0.64 -1.54 -0.11 0.00 -0.57 0.00 0.00 31.44 29.86 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 -2.64 0.41 -0.93 3.49 0.52 -1.26 -5.06 118.95 113.48 1com s ARG 14 Ca -0.09 -0.66 -0.20 0.00 -0.52 0.00 0.00 55.73 54.26 1com s ARG 14 Cb 0.07 -0.09 0.11 0.00 0.52 0.00 0.00 34.95 35.57 1com s ARG 14 CO 0.84 0.00 1.17 0.34 0.02 0.00 0.00 175.30 177.67 1com s ASP 15 N -1.46 6.58 0.06 0.23 2.15 -1.26 -4.63 116.67 118.33 1com s ASP 15 Ca -0.13 -1.88 -0.05 0.00 0.43 0.00 0.00 52.55 50.93 1com s ASP 15 Cb -0.10 -2.43 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1com s ASP 15 CO -0.00 -1.16 0.08 0.28 -0.17 0.00 0.00 175.17 174.20 1com s THR 16 N 3.15 0.16 0.06 1.71 -1.32 -1.26 -4.73 115.64 113.42 1com s THR 16 Ca 0.34 -1.33 -0.29 0.00 -1.21 0.00 0.00 61.69 59.20 1com s THR 16 Cb -0.05 -1.20 -0.18 0.00 -1.51 0.00 0.00 72.50 69.57 1com s THR 16 CO -0.08 -0.74 1.58 -0.08 -2.21 0.00 0.00 174.62 173.09 1com h GLU 17 N 3.26 -0.58 -0.53 7.08 4.81 -1.92 -1.34 114.58 125.36 1com h GLU 17 Ca -0.33 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1com h GLU 17 Cb 1.18 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.58 1com h GLU 17 CO 0.57 -0.35 -0.40 1.49 -0.73 0.00 0.00 179.01 179.58 1com h GLU 18 N -0.67 -0.23 -0.31 1.92 4.57 -1.97 0.18 114.58 118.08 1com h GLU 18 Ca -0.06 0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 57.96 1com h GLU 18 Cb 0.50 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1com h GLU 18 CO 0.10 -0.15 -0.49 1.49 -1.18 0.00 0.00 179.01 178.78 1com h GLU 19 N -0.24 0.85 -0.11 1.92 4.57 -1.88 -0.14 114.58 119.55 1com h GLU 19 Ca 0.18 -0.50 -0.02 0.00 -1.18 0.00 0.00 59.36 57.84 1com h GLU 19 Cb 0.56 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1com h GLU 19 CO -0.65 1.14 0.01 0.82 -1.18 0.00 0.00 179.01 179.15 1com h ILE 20 N 0.67 1.24 -0.47 2.32 2.04 -0.77 -1.97 117.51 120.57 1com h ILE 20 Ca 0.03 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 1com h ILE 20 Cb 1.08 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1com h ILE 20 CO 0.11 0.22 -0.02 -0.07 0.00 0.00 0.00 178.15 178.39 1com h LEU 21 N -0.06 0.83 -0.02 1.44 3.38 -0.69 -2.14 115.31 118.05 1com h LEU 21 Ca 0.03 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1com h LEU 21 Cb 0.34 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1com h LEU 21 CO 0.00 0.95 -0.00 -0.61 0.09 0.00 0.00 178.44 178.87 1com h GLN 22 N 0.69 0.03 0.00 1.13 -0.00 -1.01 -0.07 115.11 115.88 1com h GLN 22 Ca 0.13 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.74 1com h GLN 22 Cb 0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.01 1com h GLN 22 CO 0.03 0.34 -0.13 0.87 0.00 0.00 0.00 178.83 179.93 1com h LYS 23 N -0.28 0.00 0.07 1.69 1.79 -1.41 -1.76 116.57 116.67 1com h LYS 23 Ca 0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.23 1com h LYS 23 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1com h LYS 23 CO 0.00 0.13 -1.10 1.15 -1.08 0.00 0.00 179.45 178.56 1com h THR 24 N 0.00 1.48 -0.42 -0.16 2.02 -1.10 -1.88 112.91 112.85 1com h THR 24 Ca -0.00 -2.85 -0.00 0.00 0.77 0.00 0.00 66.41 64.33 1com h THR 24 Cb 0.31 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 1com h THR 24 CO 0.02 0.84 0.26 0.50 0.37 0.00 0.00 175.52 177.50 1com h LYS 25 N 0.12 0.57 -0.37 6.66 3.64 -0.67 -1.99 116.57 124.53 1com h LYS 25 Ca -0.10 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1com h LYS 25 Cb 1.79 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.47 1com h LYS 25 CO 0.18 0.42 0.20 1.96 -2.27 0.00 0.00 179.45 179.94 1com h GLN 26 N 0.56 0.51 -0.83 1.90 4.20 -1.30 -0.72 115.11 119.43 1com h GLN 26 Ca 0.15 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1com h GLN 26 Cb -0.01 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1com h GLN 26 CO -0.03 0.42 0.55 1.25 -0.67 0.00 0.00 178.83 180.35 1com h LEU 27 N 0.46 0.95 -0.23 1.46 5.85 -1.06 -1.61 115.31 121.14 1com h LEU 27 Ca 0.13 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1com h LEU 27 Cb 0.06 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1com h LEU 27 CO -0.02 0.69 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.56 1com h LEU 28 N 1.12 0.52 -0.95 2.25 3.38 -1.07 -1.91 115.31 118.66 1com h LEU 28 Ca 0.30 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1com h LEU 28 Cb -0.13 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.40 1com h LEU 28 CO -0.07 0.83 0.59 -0.33 0.09 0.00 0.00 178.44 179.55 1com h GLU 29 N 0.20 0.94 -0.39 1.13 5.08 -0.93 -0.52 114.58 120.10 1com h GLU 29 Ca 0.05 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1com h GLU 29 Cb 0.65 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1com h GLU 29 CO 0.04 0.62 -0.27 -0.22 -1.00 0.00 0.00 179.01 178.18 1com h LYS 30 N 0.97 0.82 -0.56 2.33 1.63 -0.96 -1.35 116.57 119.44 1com h LYS 30 Ca 0.45 -0.36 -0.10 0.00 -0.85 0.00 0.00 60.65 59.79 1com h LYS 30 Cb 0.39 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1com h LYS 30 CO -0.24 0.99 -0.06 0.82 -3.45 0.00 0.00 179.45 177.51 1com h ILE 31 N 0.70 1.27 0.50 2.00 2.04 -0.39 -0.12 117.51 123.49 1com h ILE 31 Ca 0.08 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 1com h ILE 31 Cb 0.81 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1com h ILE 31 CO 0.07 0.43 -0.24 0.40 0.00 0.00 0.00 178.15 178.81 1com h ILE 32 N 0.91 0.50 -0.96 -0.67 2.04 -0.95 0.59 117.51 118.96 1com h ILE 32 Ca 0.15 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1com h ILE 32 Cb 0.63 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 1com h ILE 32 CO 0.04 0.03 0.62 -0.08 0.00 0.00 0.00 178.15 178.75 1com h GLU 33 N -0.76 0.99 0.00 2.37 4.81 -1.16 0.96 114.58 121.79 1com h GLU 33 Ca -0.07 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1com h GLU 33 Cb 0.55 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1com h GLU 33 CO 0.11 0.65 -0.40 0.93 -0.73 0.00 0.00 179.01 179.58 1com h GLU 34 N 1.02 0.00 -0.05 1.92 5.08 -0.82 -3.35 114.58 118.38 1com h GLU 34 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1com h GLU 34 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1com h GLU 34 CO -0.20 0.40 0.00 0.09 -1.00 0.00 0.00 179.01 178.30 1com n ASN 35 N -3.22 1.92 -3.93 1.42 3.02 0.18 -4.84 115.26 109.80 1com n ASN 35 Ca 0.02 -1.77 -0.28 0.00 -0.03 0.00 0.00 54.58 52.51 1com n ASN 35 Cb 0.68 -0.03 0.01 0.00 -0.61 0.00 0.00 39.78 39.82 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 -0.22 -1.97 -2.41 3.10 8.25 0.32 -4.88 115.22 117.41 1com n HIS 36 Ca 0.02 0.84 -0.43 0.00 -0.26 0.00 0.00 57.72 57.89 1com n HIS 36 Cb 0.22 -3.83 -0.02 0.00 1.12 0.00 0.00 29.99 27.48 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 -3.53 4.20 0.06 1.59 2.01 -1.13 -5.04 115.64 113.80 1com s THR 37 Ca 0.38 1.49 -0.08 0.00 0.31 0.00 0.00 61.69 63.80 1com s THR 37 Cb -0.20 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1com s THR 37 CO 0.86 -0.07 0.34 -0.54 -0.69 0.00 0.00 174.62 174.52 1com s LYS 38 N 2.94 3.66 0.26 4.92 -0.14 -1.26 -4.94 119.74 125.18 1com s LYS 38 Ca 0.57 0.02 -0.03 0.00 -1.36 0.00 0.00 55.97 55.17 1com s LYS 38 Cb -0.24 -3.01 0.43 0.00 -1.68 0.00 0.00 37.83 33.34 1com s LYS 38 CO 0.19 0.58 1.83 -1.00 -0.76 0.00 0.00 175.35 176.19 1com h PRO 39 N 3.66 0.89 0.00 -1.68 0.13 -1.96 -1.91 132.00 131.13 1com h PRO 39 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1com h PRO 39 Cb 1.19 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1com h PRO 39 CO 0.68 0.59 0.00 -0.85 -0.23 0.00 0.00 178.00 178.18 1com n GLU 40 N -4.67 0.41 -0.07 0.86 0.00 -1.26 -1.08 120.64 114.83 1com n GLU 40 Ca 0.15 0.05 0.07 0.00 0.00 0.00 0.00 57.16 57.43 1com n GLU 40 Cb 0.28 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.31 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 -1.10 2.46 -4.64 -1.84 8.00 -0.72 -4.91 116.55 113.79 1com n ASP 41 Ca 0.11 -1.71 -0.40 0.00 0.71 0.00 0.00 54.79 53.50 1com n ASP 41 Cb 0.08 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.11 5.04 0.03 2.53 1.01 -0.24 -0.19 120.40 127.46 1com s VAL 42 Ca 0.20 1.07 -0.25 0.00 0.00 0.00 0.00 61.98 63.00 1com s VAL 42 Cb 0.13 -3.90 -0.18 0.00 0.00 0.00 0.00 36.38 32.43 1com s VAL 42 CO 0.18 0.09 1.45 0.58 0.00 0.00 0.00 175.10 177.41 1com h VAL 43 N 5.28 1.05 -1.68 2.92 2.07 -0.51 -3.47 116.25 121.91 1com h VAL 43 Ca -0.30 -0.55 0.25 0.00 0.82 0.00 0.00 66.70 66.92 1com h VAL 43 Cb 1.14 1.40 -0.15 0.00 -1.52 0.00 0.00 31.29 32.16 1com h VAL 43 CO 0.76 0.13 0.73 0.00 0.02 0.00 0.00 177.57 179.21 1com s GLN 44 N -5.15 0.52 0.02 1.57 -2.07 -1.24 -4.58 119.66 108.74 1com s GLN 44 Ca -0.15 -0.25 0.02 0.00 -1.82 0.00 0.00 55.36 53.17 1com s GLN 44 Cb 0.03 0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 32.14 1com s GLN 44 CO 0.64 -0.23 -0.07 1.41 -1.32 0.00 0.00 175.29 175.72 1com s MET 45 N -2.62 0.47 -0.03 9.60 1.75 0.17 -0.94 119.30 127.69 1com s MET 45 Ca 0.11 -0.51 0.04 0.00 -1.25 0.00 0.00 55.69 54.07 1com s MET 45 Cb 0.01 -0.33 -0.00 0.00 2.84 0.00 0.00 34.83 37.35 1com s MET 45 CO -0.04 0.07 -0.13 -0.51 -0.65 0.00 0.00 175.02 173.76 1com s LEU 46 N -0.96 1.87 -0.05 4.11 1.43 0.21 -2.17 118.68 123.11 1com s LEU 46 Ca -0.05 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1com s LEU 46 Cb -0.07 -0.77 -0.00 0.00 0.03 0.00 0.00 46.19 45.38 1com s LEU 46 CO 0.00 0.12 -0.20 -0.76 0.23 0.00 0.00 176.35 175.74 1com s LEU 47 N 0.07 1.97 0.31 1.79 1.43 -0.71 -0.44 118.68 123.10 1com s LEU 47 Ca -0.03 -0.42 0.11 0.00 -1.03 0.00 0.00 54.13 52.76 1com s LEU 47 Cb -0.10 -1.13 -0.06 0.00 0.03 0.00 0.00 46.19 44.94 1com s LEU 47 CO 0.01 0.18 -0.13 -0.94 0.23 0.00 0.00 176.35 175.70 1com s SER 48 N 0.02 3.77 0.05 2.29 1.04 -0.26 -1.37 113.70 119.24 1com s SER 48 Ca -0.05 -1.07 -0.02 0.00 0.48 0.00 0.00 55.95 55.29 1com s SER 48 Cb -0.13 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.58 1com s SER 48 CO 0.03 -0.09 0.01 0.00 0.98 0.00 0.00 173.24 174.17 1com s ALA 49 N -2.54 0.36 0.56 5.32 0.00 -1.07 -2.15 121.76 122.24 1com s ALA 49 Ca 0.32 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1com s ALA 49 Cb -0.02 0.29 -0.06 0.00 0.00 0.00 0.00 23.12 23.34 1com s ALA 49 CO 0.16 -0.37 0.98 0.95 0.00 0.00 0.00 175.76 177.48 1com s THR 50 N -3.69 4.65 -2.00 0.00 -4.23 -0.69 -0.75 115.64 108.93 1com s THR 50 Ca 0.05 0.98 0.01 0.00 -1.18 0.00 0.00 61.69 61.54 1com s THR 50 Cb 0.06 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 70.13 1com s THR 50 CO -0.09 -0.90 0.25 -2.65 -0.54 0.00 0.00 174.62 170.68 1com n PRO 51 N -2.14 0.12 0.00 3.99 -0.02 -1.26 -2.09 135.00 133.60 1com n PRO 51 Ca 0.06 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.63 1com n PRO 51 Cb 0.54 -1.11 -0.01 0.00 -0.02 0.00 0.00 33.50 32.90 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 -0.61 1.73 -4.64 2.55 5.68 -1.26 -4.86 116.55 115.14 1com n ASP 52 Ca 0.01 -1.36 -0.36 0.00 -0.50 0.00 0.00 54.79 52.58 1com n ASP 52 Cb 0.00 0.51 -0.10 0.00 -1.14 0.00 0.00 41.12 40.40 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 -2.26 3.94 0.00 -2.12 1.43 -0.89 -4.86 118.68 113.93 1com s LEU 53 Ca 0.15 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1com s LEU 53 Cb 0.15 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1com s LEU 53 CO 0.49 0.11 0.04 1.41 0.23 0.00 0.00 176.35 178.63 1com n HIS 54 N 3.97 0.00 0.08 0.29 8.25 -1.26 -4.91 115.22 121.65 1com n HIS 54 Ca -0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.20 1com n HIS 54 Cb 0.52 0.00 -0.09 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 0.32 -2.98 -1.41 0.00 -1.89 -3.46 119.26 109.84 1com h ALA 55 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1com h ALA 55 Cb 0.15 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 1com h ALA 55 CO 0.00 1.04 0.18 0.54 0.00 0.00 0.00 179.25 181.02 1com s VAL 56 N -2.85 0.01 -0.03 0.00 0.11 -1.26 -4.63 120.40 111.74 1com s VAL 56 Ca -0.02 -0.40 -0.28 0.00 -2.93 0.00 0.00 61.98 58.35 1com s VAL 56 Cb 0.09 -1.36 -0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1com s VAL 56 CO 0.84 -0.02 0.91 -0.36 -3.33 0.00 0.00 175.10 173.14 1com s PHE 57 N -3.82 3.63 0.40 1.54 0.08 -1.26 -4.98 117.98 113.57 1com s PHE 57 Ca 0.05 1.57 0.22 0.00 0.12 0.00 0.00 56.93 58.89 1com s PHE 57 Cb -0.02 -3.04 1.23 0.00 -0.57 0.00 0.00 43.02 40.61 1com s PHE 57 CO -0.06 -0.00 1.69 -1.00 -0.10 0.00 0.00 175.22 175.74 1com h PRO 58 N 6.82 0.25 0.00 0.24 0.13 -1.95 -2.80 132.00 134.69 1com h PRO 58 Ca -0.40 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1com h PRO 58 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1com h PRO 58 CO 0.76 0.16 0.02 0.00 -0.23 0.00 0.00 178.00 178.72 1com n ALA 59 N -2.45 0.96 0.10 -0.56 0.00 -1.26 -1.06 120.51 116.24 1com n ALA 59 Ca 0.31 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.73 1com n ALA 59 Cb 1.12 -0.98 0.11 0.00 0.00 0.00 0.00 19.45 19.70 1com n ALA 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1com h LYS 60 N 0.00 0.18 -0.22 0.00 3.64 -1.92 -2.75 116.57 115.49 1com h LYS 60 Ca 0.00 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1com h LYS 60 Cb 0.05 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1com h LYS 60 CO 0.00 0.77 0.06 0.00 -2.27 0.00 0.00 179.45 178.00 1com h ALA 61 N 1.20 1.69 -0.21 5.00 0.00 -1.33 -2.45 119.26 123.15 1com h ALA 61 Ca -0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1com h ALA 61 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1com h ALA 61 CO 0.10 0.25 -0.14 0.28 0.00 0.00 0.00 179.25 179.73 1com h VAL 62 N 0.31 1.21 0.00 0.00 2.07 -1.64 -0.91 116.25 117.29 1com h VAL 62 Ca 0.08 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1com h VAL 62 Cb 0.12 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1com h VAL 62 CO -0.00 0.30 0.00 0.54 0.02 0.00 0.00 177.57 178.42 1com n ARG 63 N -4.23 0.89 0.09 1.57 1.74 -0.92 -1.40 116.66 114.40 1com n ARG 63 Ca -0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1com n ARG 63 Cb 0.30 -1.34 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 1com n ARG 63 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1com h GLU 64 N 0.00 0.00 -6.28 5.56 5.08 -1.26 -3.46 114.58 114.22 1com h GLU 64 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1com h GLU 64 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1com h GLU 64 CO 0.00 0.10 0.56 -0.51 -1.00 0.00 0.00 179.01 178.16 1com s LEU 65 N -5.57 4.26 -0.69 1.33 1.43 -0.50 -4.89 118.68 114.05 1com s LEU 65 Ca -0.01 1.58 -0.37 0.00 -1.03 0.00 0.00 54.13 54.31 1com s LEU 65 Cb 0.09 -3.56 -0.19 0.00 0.03 0.00 0.00 46.19 42.56 1com s LEU 65 CO 0.79 -0.44 2.39 -1.20 0.23 0.00 0.00 176.35 178.12 1com n SER 66 N 4.89 0.80 0.00 2.29 7.64 -1.26 -2.19 113.62 125.78 1com n SER 66 Ca 0.09 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1com n SER 66 Cb 0.49 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1com n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1com n GLY 67 N 6.90 0.72 1.36 0.23 0.00 -1.26 -4.94 105.19 108.21 1com n GLY 67 Ca 0.57 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.65 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 -2.54 1.19 0.13 1.61 7.02 -0.93 -4.55 117.44 119.37 1com n TRP 68 Ca 0.00 -0.50 0.09 0.00 -1.02 0.00 0.00 57.50 56.07 1com n TRP 68 Cb 0.00 -0.17 0.46 0.00 -2.42 0.00 0.00 31.31 29.18 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 1.06 0.11 -0.10 -0.99 0.00 -1.26 -1.66 117.38 114.54 1com n GLN 69 Ca 0.22 0.61 0.05 0.00 0.00 0.00 0.00 57.00 57.88 1com n GLN 69 Cb 0.73 -1.86 0.10 0.00 0.00 0.00 0.00 30.24 29.21 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 -2.09 0.27 -2.75 2.61 4.01 -1.26 -4.96 117.16 113.00 1com n TYR 70 Ca -0.01 -0.35 -0.42 0.00 -0.16 0.00 0.00 57.90 56.96 1com n TYR 70 Cb 0.03 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.93 4.77 -0.04 -0.72 1.01 -0.66 -5.00 120.40 118.83 1com s VAL 71 Ca 0.17 2.01 -0.27 0.00 0.00 0.00 0.00 61.98 63.89 1com s VAL 71 Cb 0.09 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1com s VAL 71 CO 0.13 0.22 0.87 -2.16 0.00 0.00 0.00 175.10 174.15 1com s PRO 72 N 0.68 4.49 0.06 2.72 0.04 -1.26 -4.98 135.00 136.74 1com s PRO 72 Ca 0.49 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1com s PRO 72 Cb -0.21 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 1com s PRO 72 CO 0.28 -0.04 -0.09 0.14 0.04 0.00 0.00 177.00 177.33 1com s VAL 73 N 1.08 0.67 -0.04 -0.36 -7.23 -1.26 -0.66 120.40 112.59 1com s VAL 73 Ca 0.45 -1.23 -0.25 0.00 -1.81 0.00 0.00 61.98 59.14 1com s VAL 73 Cb -0.19 -0.82 0.05 0.00 0.56 0.00 0.00 36.38 35.98 1com s VAL 73 CO 0.23 -0.41 0.55 0.28 -0.31 0.00 0.00 175.10 175.43 1com s THR 74 N -1.64 0.02 0.43 5.32 -1.32 -0.92 -4.98 115.64 112.55 1com s THR 74 Ca -0.06 -0.16 0.04 0.00 -1.21 0.00 0.00 61.69 60.30 1com s THR 74 Cb -0.08 -0.86 0.01 0.00 -1.51 0.00 0.00 72.50 70.05 1com s THR 74 CO 0.00 -0.09 0.61 0.00 -2.21 0.00 0.00 174.62 172.93 1com s MET 76 N -4.44 1.38 -0.15 0.00 0.23 -0.47 -4.90 119.30 110.95 1com s MET 76 Ca 0.51 -0.85 -0.08 0.00 -1.03 0.00 0.00 55.69 54.23 1com s MET 76 Cb -0.10 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 1com s MET 76 CO 0.35 -0.59 0.13 -1.14 -2.03 0.00 0.00 175.02 171.74 1com s GLN 77 N -3.87 3.75 0.53 3.16 0.74 -1.26 -2.58 119.66 120.13 1com s GLN 77 Ca 0.09 -0.17 -0.16 0.00 0.05 0.00 0.00 55.36 55.17 1com s GLN 77 Cb -0.01 -3.28 -0.07 0.00 1.10 0.00 0.00 33.01 30.75 1com s GLN 77 CO -0.03 0.58 1.00 -2.00 -0.55 0.00 0.00 175.29 174.29 1com s GLU 78 N -0.45 3.82 0.39 1.67 2.56 0.08 -4.86 118.70 121.91 1com s GLU 78 Ca 0.12 1.01 -0.24 0.00 0.00 0.00 0.00 54.97 55.86 1com s GLU 78 Cb -0.12 -2.11 -0.10 0.00 2.00 0.00 0.00 34.13 33.80 1com s GLU 78 CO 0.01 -0.38 0.98 0.00 -0.56 0.00 0.00 175.26 175.32 1com s MET 79 N -4.07 4.32 -0.49 4.30 0.23 -1.26 -4.49 119.30 117.84 1com s MET 79 Ca 0.60 1.32 -0.25 0.00 -1.03 0.00 0.00 55.69 56.33 1com s MET 79 Cb -0.11 -2.50 0.03 0.00 -1.53 0.00 0.00 34.83 30.72 1com s MET 79 CO 0.32 0.03 0.93 0.34 -2.03 0.00 0.00 175.02 174.61 1com s ASP 80 N -1.79 6.45 -0.00 -1.18 2.15 -1.26 -4.93 116.67 116.10 1com s ASP 80 Ca 0.57 -0.01 -0.00 0.00 0.43 0.00 0.00 52.55 53.53 1com s ASP 80 Cb -0.16 -2.44 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 1com s ASP 80 CO 0.21 -1.10 0.06 -0.69 -0.17 0.00 0.00 175.17 173.49 1com s VAL 81 N 3.80 4.61 0.01 1.11 1.01 -1.26 -5.06 120.40 124.62 1com s VAL 81 Ca 0.35 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1com s VAL 81 Cb -0.11 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 1com s VAL 81 CO 0.24 0.36 1.76 -0.89 0.00 0.00 0.00 175.10 176.57 1com s THR 82 N -1.17 3.23 -0.01 3.92 2.01 -1.26 -2.53 115.64 119.83 1com s THR 82 Ca 0.22 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1com s THR 82 Cb -0.12 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1com s THR 82 CO 0.13 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 1com n GLY 83 N 4.23 0.48 3.92 4.40 0.00 -1.26 -5.02 105.19 111.93 1com n GLY 83 Ca 0.18 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.13 1.68 0.02 -0.02 0.00 -1.05 -5.00 107.32 100.81 1com s GLY 84 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 1com s GLY 84 CO 0.00 -0.32 1.08 -2.27 0.00 0.00 0.00 173.10 171.59 1com s LEU 85 N -5.67 4.36 0.46 0.66 2.96 -1.26 -5.00 118.68 115.19 1com s LEU 85 Ca 0.67 1.80 -0.04 0.00 -0.22 0.00 0.00 54.13 56.34 1com s LEU 85 Cb -0.08 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1com s LEU 85 CO 0.50 -0.37 0.74 -0.54 -1.32 0.00 0.00 176.35 175.37 1com s LYS 86 N 1.14 3.50 -0.72 1.98 -0.14 -1.26 -4.24 119.74 120.00 1com s LYS 86 Ca 0.55 0.08 -0.01 0.00 -1.36 0.00 0.00 55.97 55.22 1com s LYS 86 Cb -0.24 -2.43 0.01 0.00 -1.68 0.00 0.00 37.83 33.49 1com s LYS 86 CO 0.28 -0.16 0.06 1.63 -0.76 0.00 0.00 175.35 176.40 1com n LYS 87 N -2.18 -2.59 -3.23 1.68 5.02 -1.26 -4.79 118.16 110.80 1com n LYS 87 Ca -0.00 0.36 -0.38 0.00 -2.02 0.00 0.00 58.31 56.27 1com n LYS 87 Cb 0.55 -4.94 -0.06 0.00 -0.02 0.00 0.00 35.03 30.57 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 0.60 3.30 0.15 0.00 1.01 0.09 -1.70 121.20 124.64 1com s ILE 89 Ca 0.30 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.39 1com s ILE 89 Cb -0.16 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1com s ILE 89 CO 0.13 0.34 -0.11 -0.13 0.00 0.00 0.00 174.94 175.17 1com s ARG 90 N 1.44 2.05 0.03 2.79 0.52 -0.92 -1.65 118.95 123.22 1com s ARG 90 Ca 0.04 -1.18 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 1com s ARG 90 Cb -0.15 -2.20 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 1com s ARG 90 CO -0.03 0.46 -0.08 0.54 0.02 0.00 0.00 175.30 176.21 1com s VAL 91 N -1.47 0.60 -0.26 3.52 0.11 -0.35 -1.11 120.40 121.44 1com s VAL 91 Ca 0.23 -0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 58.36 1com s VAL 91 Cb -0.10 -0.62 0.08 0.00 -1.53 0.00 0.00 36.38 34.22 1com s VAL 91 CO 0.14 -0.23 0.05 -0.32 -3.33 0.00 0.00 175.10 171.41 1com s MET 92 N -1.24 0.89 -0.18 1.54 1.75 0.42 -1.77 119.30 120.70 1com s MET 92 Ca -0.06 -0.87 -0.07 0.00 -1.25 0.00 0.00 55.69 53.44 1com s MET 92 Cb -0.08 -2.18 -0.04 0.00 2.84 0.00 0.00 34.83 35.37 1com s MET 92 CO 0.00 -0.80 0.06 1.41 -0.65 0.00 0.00 175.02 175.04 1com s MET 93 N 1.63 3.97 -0.21 4.11 1.75 -0.19 -0.62 119.30 129.74 1com s MET 93 Ca 0.03 -0.34 -0.06 0.00 -1.25 0.00 0.00 55.69 54.07 1com s MET 93 Cb -0.18 -3.21 -0.03 0.00 2.84 0.00 0.00 34.83 34.26 1com s MET 93 CO -0.16 0.28 0.03 0.99 -0.65 0.00 0.00 175.02 175.52 1com s THR 94 N 0.34 4.25 0.08 10.11 2.01 -0.11 -0.45 115.64 131.87 1com s THR 94 Ca 0.03 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 61.87 1com s THR 94 Cb -0.12 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1com s THR 94 CO 0.00 0.41 -0.14 0.68 -0.69 0.00 0.00 174.62 174.88 1com s VAL 95 N 1.04 1.15 -0.18 3.82 -7.23 0.05 0.26 120.40 119.31 1com s VAL 95 Ca 0.03 -1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.54 1com s VAL 95 Cb -0.14 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 1com s VAL 95 CO 0.02 -0.25 1.37 -1.58 -0.31 0.00 0.00 175.10 174.36 1com s GLN 96 N -1.87 4.12 -0.04 4.82 0.74 0.73 -0.03 119.66 128.14 1com s GLN 96 Ca -0.00 1.68 -0.29 0.00 0.05 0.00 0.00 55.36 56.79 1com s GLN 96 Cb -0.09 -3.85 0.09 0.00 1.10 0.00 0.00 33.01 30.26 1com s GLN 96 CO 0.02 -0.86 0.78 -0.08 -0.55 0.00 0.00 175.29 174.60 1com s THR 97 N 3.92 0.00 -0.23 -0.34 -1.32 -0.39 -4.95 115.64 112.32 1com s THR 97 Ca 0.60 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.14 1com s THR 97 Cb -0.23 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 69.90 1com s THR 97 CO 0.20 0.00 1.10 -0.90 -2.21 0.00 0.00 174.62 172.81 1com n ASP 98 N 0.49 2.35 -4.71 8.08 5.75 -1.26 -2.90 116.55 124.36 1com n ASP 98 Ca -0.15 -2.21 -0.42 0.00 -0.01 0.00 0.00 54.79 52.00 1com n ASP 98 Cb 0.59 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 1com n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1com s VAL 99 N -1.37 2.36 0.85 2.12 1.01 -1.26 -4.90 120.40 119.21 1com s VAL 99 Ca 0.12 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1com s VAL 99 Cb 0.08 -3.12 0.11 0.00 0.00 0.00 0.00 36.38 33.45 1com s VAL 99 CO 0.04 0.01 1.14 -2.84 0.00 0.00 0.00 175.10 173.45 1com s PRO 100 N 1.49 1.48 0.17 2.72 0.02 -1.26 -4.80 135.00 134.82 1com s PRO 100 Ca 0.74 1.48 -0.14 0.00 0.02 0.00 0.00 61.00 63.09 1com s PRO 100 Cb -0.47 -1.79 0.12 0.00 0.02 0.00 0.00 34.50 32.39 1com s PRO 100 CO 0.32 -2.27 1.74 0.37 -0.33 0.00 0.00 177.00 176.83 1com h GLN 101 N -1.48 0.29 0.00 5.54 4.15 -1.99 0.53 115.11 122.15 1com h GLN 101 Ca -0.44 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1com h GLN 101 Cb 1.26 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1com h GLN 101 CO 0.45 0.19 0.00 -0.40 -1.93 0.00 0.00 178.83 177.14 1com n ASP 102 N -5.03 0.00 -0.33 -0.69 5.75 -1.26 -2.79 116.55 112.20 1com n ASP 102 Ca 0.03 0.16 0.06 0.00 -0.01 0.00 0.00 54.79 55.04 1com n ASP 102 Cb 0.17 -0.31 0.01 0.00 -1.03 0.00 0.00 41.12 39.95 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 -1.31 1.75 -2.03 0.11 6.02 0.17 -4.97 117.38 117.12 1com n GLN 103 Ca 0.05 -0.78 -0.39 0.00 -0.01 0.00 0.00 57.00 55.87 1com n GLN 103 Cb 0.10 -1.18 0.01 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 -1.54 2.58 -0.39 5.09 -1.09 -1.12 -4.94 121.20 119.80 1com s ILE 104 Ca 0.11 0.48 -0.14 0.00 -2.23 0.00 0.00 60.65 58.88 1com s ILE 104 Cb 0.10 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1com s ILE 104 CO 0.30 0.04 0.27 -0.13 -1.23 0.00 0.00 174.94 174.18 1com s ARG 105 N -2.51 3.03 0.16 2.79 0.52 -1.26 -5.06 118.95 116.62 1com s ARG 105 Ca 0.62 -0.97 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 1com s ARG 105 Cb -0.37 -3.89 -0.07 0.00 0.52 0.00 0.00 34.95 31.14 1com s ARG 105 CO 0.46 -0.68 0.56 -1.01 0.02 0.00 0.00 175.30 174.65 1com s HIS 106 N 1.66 3.60 -0.12 -0.53 3.76 -1.26 -4.76 115.29 117.64 1com s HIS 106 Ca 0.05 1.07 -0.01 0.00 -0.15 0.00 0.00 55.06 56.02 1com s HIS 106 Cb -0.19 -2.38 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 1com s HIS 106 CO 0.09 0.41 -0.08 0.08 -0.85 0.00 0.00 174.74 174.39 1com s VAL 107 N -1.49 3.50 -0.15 -0.90 1.01 -0.60 -4.99 120.40 116.79 1com s VAL 107 Ca 0.39 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1com s VAL 107 Cb -0.15 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1com s VAL 107 CO 0.19 0.53 -0.02 -0.31 0.00 0.00 0.00 175.10 175.50 1com s TYR 108 N 0.04 1.29 0.45 5.22 2.02 -1.26 -1.52 117.35 123.59 1com s TYR 108 Ca -0.02 -0.80 0.03 0.00 -0.37 0.00 0.00 57.07 55.91 1com s TYR 108 Cb -0.14 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 1com s TYR 108 CO 0.03 -0.54 0.03 -0.51 -1.57 0.00 0.00 175.55 172.99 1com s LEU 109 N 1.77 2.38 0.00 -1.29 1.43 0.24 -4.18 118.68 119.03 1com s LEU 109 Ca 0.02 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.55 1com s LEU 109 Cb -0.15 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1com s LEU 109 CO -0.07 -0.75 0.00 -0.62 0.23 0.00 0.00 176.35 175.14 1com n GLU 110 N -1.09 0.00 0.02 1.70 -0.58 -1.26 0.06 120.64 119.49 1com n GLU 110 Ca -0.12 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.71 1com n GLU 110 Cb 0.67 0.00 0.41 0.00 -0.57 0.00 0.00 31.44 31.95 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 0.04 0.00 3.49 4.01 -1.26 -2.52 118.16 135.92 1com n LYS 111 Ca 0.00 0.21 0.15 0.00 -0.51 0.00 0.00 58.31 58.16 1com n LYS 111 Cb 0.00 -1.57 0.84 0.00 -0.51 0.00 0.00 35.03 33.79 1com n LYS 111 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1com n ALA 112 N -1.55 2.55 0.00 7.82 0.00 0.11 -3.68 120.51 125.75 1com n ALA 112 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1com n ALA 112 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.06 1.48 0.96 0.00 0.24 -1.05 -2.64 118.33 116.26 1com n VAL 113 Ca 0.20 0.38 -0.00 0.00 -2.04 0.00 0.00 64.34 62.88 1com n VAL 113 Cb 0.13 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.12 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 -1.37 0.96 -0.70 3.34 3.14 -1.24 -5.03 118.33 117.43 1com n VAL 114 Ca 0.00 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1com n VAL 114 Cb 0.01 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 1com n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55