#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 1.54 0.09 1.12 -4.36 -1.26 -0.42 121.20 117.92 1com s ILE 3 Ca 0.00 -0.82 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1com s ILE 3 Cb 0.00 -1.29 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 1com s ILE 3 CO 0.00 0.44 -0.10 -0.13 0.24 0.00 0.00 174.94 175.39 1com s ARG 4 N -0.32 0.81 0.21 0.37 0.52 0.76 -4.90 118.95 116.40 1com s ARG 4 Ca 0.04 -1.13 -0.18 0.00 -0.52 0.00 0.00 55.73 53.94 1com s ARG 4 Cb -0.09 -0.48 -0.08 0.00 0.52 0.00 0.00 34.95 34.82 1com s ARG 4 CO 0.00 0.07 0.69 0.20 0.02 0.00 0.00 175.30 176.29 1com s GLY 5 N -2.39 2.57 -0.20 -3.53 0.00 -1.26 -0.46 107.32 102.04 1com s GLY 5 Ca 0.04 0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.87 1com s GLY 5 CO -0.00 0.44 -0.09 -0.42 0.00 0.00 0.00 173.10 173.02 1com s ILE 6 N -1.54 1.55 0.38 0.90 1.01 0.18 -4.95 121.20 118.72 1com s ILE 6 Ca 0.43 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 1com s ILE 6 Cb -0.16 -1.65 -0.09 0.00 0.01 0.00 0.00 42.46 40.57 1com s ILE 6 CO 0.20 0.14 0.81 -0.13 0.00 0.00 0.00 174.94 175.97 1com s ARG 7 N 1.43 4.02 -0.09 2.79 1.81 -1.26 -0.67 118.95 126.98 1com s ARG 7 Ca -0.01 0.77 -0.28 0.00 -1.72 0.00 0.00 55.73 54.49 1com s ARG 7 Cb -0.16 -2.34 0.06 0.00 -0.45 0.00 0.00 34.95 32.06 1com s ARG 7 CO -0.08 0.05 0.64 0.20 -0.68 0.00 0.00 175.30 175.43 1com s GLY 8 N -2.46 -0.52 0.03 -3.53 0.00 -1.08 -1.53 107.32 98.23 1com s GLY 8 Ca 0.56 1.34 -0.02 0.00 0.00 0.00 0.00 44.72 46.60 1com s GLY 8 CO 0.20 1.02 0.01 0.00 0.00 0.00 0.00 173.10 174.32 1com s ALA 9 N -0.87 0.14 0.15 3.20 0.00 -0.45 -1.03 121.76 122.89 1com s ALA 9 Ca -0.09 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 1com s ALA 9 Cb -0.02 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1com s ALA 9 CO 0.07 -0.24 0.37 -0.08 0.00 0.00 0.00 175.76 175.89 1com s THR 10 N -2.24 0.07 0.36 0.00 -1.32 -0.46 -1.73 115.64 110.31 1com s THR 10 Ca -0.08 -0.90 0.09 0.00 -1.21 0.00 0.00 61.69 59.58 1com s THR 10 Cb -0.04 -1.45 -0.06 0.00 -1.51 0.00 0.00 72.50 69.45 1com s THR 10 CO -0.04 -0.31 0.01 0.42 -2.21 0.00 0.00 174.62 172.49 1com s THR 11 N -3.87 2.44 0.18 5.08 -4.23 -1.26 -1.23 115.64 112.75 1com s THR 11 Ca 0.08 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.66 1com s THR 11 Cb 0.02 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1com s THR 11 CO -0.07 -0.16 -0.14 0.68 -0.54 0.00 0.00 174.62 174.39 1com s VAL 12 N -2.57 1.62 -0.15 2.29 -7.23 -0.82 -4.88 120.40 108.66 1com s VAL 12 Ca 0.35 -2.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1com s VAL 12 Cb 0.02 -1.92 -0.24 0.00 0.56 0.00 0.00 36.38 34.80 1com s VAL 12 CO 0.19 -0.55 0.26 -0.62 -0.31 0.00 0.00 175.10 174.06 1com n GLU 13 N -0.13 0.73 -4.91 4.82 -0.58 -1.26 -4.84 120.64 114.47 1com n GLU 13 Ca -0.10 0.26 -0.27 0.00 -0.42 0.00 0.00 57.16 56.63 1com n GLU 13 Cb 0.59 -1.68 -0.16 0.00 -0.57 0.00 0.00 31.44 29.63 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 -2.54 1.82 -1.28 3.49 0.52 -1.26 -5.03 118.95 114.66 1com s ARG 14 Ca -0.25 -0.66 -0.18 0.00 -0.52 0.00 0.00 55.73 54.12 1com s ARG 14 Cb 0.07 -1.61 0.07 0.00 0.52 0.00 0.00 34.95 33.99 1com s ARG 14 CO 0.73 0.30 1.73 0.34 0.02 0.00 0.00 175.30 178.42 1com s ASP 15 N -0.10 6.78 0.05 0.23 2.15 -1.26 -4.57 116.67 119.95 1com s ASP 15 Ca -0.01 -2.38 0.02 0.00 0.43 0.00 0.00 52.55 50.61 1com s ASP 15 Cb -0.11 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 1com s ASP 15 CO 0.02 -1.23 -0.08 0.42 -0.17 0.00 0.00 175.17 174.13 1com s THR 16 N 4.43 0.58 0.20 1.71 -4.23 -1.26 -4.72 115.64 112.35 1com s THR 16 Ca 0.54 -1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 59.64 1com s THR 16 Cb 0.04 -0.78 0.16 0.00 1.34 0.00 0.00 72.50 73.25 1com s THR 16 CO 0.07 -0.45 1.59 -0.08 -0.54 0.00 0.00 174.62 175.21 1com h GLU 17 N 4.26 -0.12 -0.64 3.99 4.81 -1.91 -1.44 114.58 123.53 1com h GLU 17 Ca -0.36 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.97 1com h GLU 17 Cb 1.20 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.49 1com h GLU 17 CO 0.44 -0.08 -0.44 1.49 -0.73 0.00 0.00 179.01 179.69 1com h GLU 18 N -0.13 -0.18 0.49 1.92 4.22 -1.96 -0.80 114.58 118.14 1com h GLU 18 Ca 0.26 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.69 1com h GLU 18 Cb 0.55 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1com h GLU 18 CO -0.72 -0.12 -0.24 1.49 -2.18 0.00 0.00 179.01 177.24 1com h GLU 19 N -0.19 -0.64 -0.11 1.92 4.57 -1.79 0.16 114.58 118.50 1com h GLU 19 Ca 0.19 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1com h GLU 19 Cb 0.56 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1com h GLU 19 CO -0.73 -0.41 0.05 0.82 -1.18 0.00 0.00 179.01 177.56 1com h ILE 20 N -0.69 1.13 -0.14 2.32 2.04 -0.98 -0.03 117.51 121.16 1com h ILE 20 Ca -0.07 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1com h ILE 20 Cb 0.52 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1com h ILE 20 CO 0.11 0.12 -0.28 -0.07 0.00 0.00 0.00 178.15 178.03 1com h LEU 21 N 0.05 0.25 0.27 1.44 3.38 -1.10 0.32 115.31 119.93 1com h LEU 21 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1com h LEU 21 Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1com h LEU 21 CO -0.00 0.53 -0.13 -0.61 0.09 0.00 0.00 178.44 178.32 1com h GLN 22 N 0.23 -0.35 -0.41 1.13 4.15 -0.29 -1.08 115.11 118.48 1com h GLN 22 Ca 0.03 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1com h GLN 22 Cb 0.61 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 1com h GLN 22 CO 0.04 -0.04 0.05 0.87 -1.93 0.00 0.00 178.83 177.82 1com h LYS 23 N -0.70 0.63 0.14 1.69 1.79 -0.90 -2.21 116.57 117.01 1com h LYS 23 Ca -0.04 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.29 1com h LYS 23 Cb 0.48 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1com h LYS 23 CO 0.06 0.62 -0.07 1.15 -1.08 0.00 0.00 179.45 180.13 1com h THR 24 N 0.61 1.02 -0.72 -0.16 2.02 -0.82 -1.95 112.91 112.90 1com h THR 24 Ca 0.13 -0.90 0.11 0.00 0.77 0.00 0.00 66.41 66.52 1com h THR 24 Cb 0.31 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1com h THR 24 CO 0.01 0.20 0.48 0.50 0.37 0.00 0.00 175.52 177.08 1com h LYS 25 N -0.63 0.55 -0.25 6.66 3.64 -1.19 -0.94 116.57 124.40 1com h LYS 25 Ca -0.02 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1com h LYS 25 Cb 0.48 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1com h LYS 25 CO 0.03 0.36 0.04 1.96 -2.27 0.00 0.00 179.45 179.57 1com h GLN 26 N 0.56 0.42 -0.41 1.90 4.20 -1.28 -0.87 115.11 119.63 1com h GLN 26 Ca 0.34 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1com h GLN 26 Cb 0.55 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1com h GLN 26 CO -0.12 0.55 0.22 1.25 -0.67 0.00 0.00 178.83 180.06 1com h LEU 27 N 0.23 0.52 -0.53 1.46 5.85 -0.40 -1.56 115.31 120.87 1com h LEU 27 Ca 0.08 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1com h LEU 27 Cb 0.34 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1com h LEU 27 CO 0.01 0.47 0.18 -0.07 -0.34 0.00 0.00 178.44 178.68 1com h LEU 28 N 0.53 0.77 -0.56 2.25 3.38 -1.32 0.25 115.31 120.62 1com h LEU 28 Ca 0.14 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1com h LEU 28 Cb 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1com h LEU 28 CO -0.02 0.76 0.34 -0.33 0.09 0.00 0.00 178.44 179.28 1com h GLU 29 N 0.73 0.65 -0.52 1.13 5.08 -0.96 -0.78 114.58 119.91 1com h GLU 29 Ca 0.17 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1com h GLU 29 Cb 0.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1com h GLU 29 CO -0.01 0.43 0.09 -0.22 -1.00 0.00 0.00 179.01 178.30 1com h LYS 30 N 0.67 0.86 -0.41 2.33 1.63 -0.77 0.12 116.57 121.00 1com h LYS 30 Ca 0.22 -0.23 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1com h LYS 30 Cb 0.02 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 1com h LYS 30 CO -0.10 0.84 0.25 0.82 -3.45 0.00 0.00 179.45 177.81 1com h ILE 31 N 0.75 1.05 -0.55 2.00 2.04 -0.71 -0.58 117.51 121.50 1com h ILE 31 Ca 0.16 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1com h ILE 31 Cb 0.40 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1com h ILE 31 CO 0.01 0.09 0.30 0.40 0.00 0.00 0.00 178.15 178.95 1com h ILE 32 N 0.50 1.18 0.61 -0.67 2.04 -0.87 -0.37 117.51 119.93 1com h ILE 32 Ca 0.16 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1com h ILE 32 Cb 0.00 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1com h ILE 32 CO -0.07 0.20 -0.29 -0.08 0.00 0.00 0.00 178.15 177.90 1com h GLU 33 N 0.74 -0.78 -0.81 2.37 4.81 -0.70 0.26 114.58 120.46 1com h GLU 33 Ca 0.19 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1com h GLU 33 Cb 0.04 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1com h GLU 33 CO -0.03 -0.52 0.53 0.93 -0.73 0.00 0.00 179.01 179.19 1com h GLU 34 N -0.81 0.96 -0.03 1.92 4.39 -0.94 -2.89 114.58 117.17 1com h GLU 34 Ca -0.08 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1com h GLU 34 Cb 0.62 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1com h GLU 34 CO 0.14 0.64 0.00 0.09 -1.16 0.00 0.00 179.01 178.71 1com n ASN 35 N -4.45 2.29 -3.57 1.42 3.02 -0.16 -4.85 115.26 108.95 1com n ASN 35 Ca 0.11 -1.64 -0.22 0.00 -0.03 0.00 0.00 54.58 52.80 1com n ASN 35 Cb 0.12 -0.01 0.08 0.00 -0.61 0.00 0.00 39.78 39.35 1com n ASN 35 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1com n HIS 36 N 0.85 -2.56 -2.62 3.10 -0.00 0.88 -4.91 115.22 109.95 1com n HIS 36 Ca 0.09 0.97 -0.42 0.00 -0.00 0.00 0.00 57.72 58.37 1com n HIS 36 Cb 0.38 -4.94 -0.03 0.00 -0.00 0.00 0.00 29.99 25.39 1com n HIS 36 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1com s THR 37 N -3.35 4.45 -0.11 3.57 2.01 -0.88 -5.04 115.64 116.29 1com s THR 37 Ca 0.37 1.86 -0.02 0.00 0.31 0.00 0.00 61.69 64.21 1com s THR 37 Cb -0.17 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1com s THR 37 CO 0.74 0.20 -0.02 -0.54 -0.69 0.00 0.00 174.62 174.31 1com s LYS 38 N 0.59 3.22 0.31 4.92 -0.14 -1.26 -4.93 119.74 122.45 1com s LYS 38 Ca 0.52 -0.47 0.05 0.00 -1.36 0.00 0.00 55.97 54.71 1com s LYS 38 Cb -0.25 -2.82 0.68 0.00 -1.68 0.00 0.00 37.83 33.77 1com s LYS 38 CO 0.30 0.52 1.83 -1.00 -0.76 0.00 0.00 175.35 176.24 1com h PRO 39 N 5.77 0.83 0.00 -1.68 0.13 -1.96 -1.02 132.00 134.06 1com h PRO 39 Ca -0.43 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1com h PRO 39 Cb 1.19 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1com h PRO 39 CO 0.58 0.55 0.00 -0.85 -0.23 0.00 0.00 178.00 178.04 1com n GLU 40 N -4.63 0.31 0.00 0.86 0.00 -1.26 -0.39 120.64 115.53 1com n GLU 40 Ca 0.19 0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.58 1com n GLU 40 Cb 0.44 -1.50 0.32 0.00 0.00 0.00 0.00 31.44 30.70 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 -1.20 0.65 -4.65 -1.84 8.00 -0.39 -4.87 116.55 112.25 1com n ASP 41 Ca 0.09 -0.45 -0.39 0.00 0.71 0.00 0.00 54.79 54.76 1com n ASP 41 Cb 0.11 0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 41.30 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 -2.82 5.16 -0.04 2.53 1.01 0.48 -0.41 120.40 126.31 1com s VAL 42 Ca 0.16 0.74 -0.22 0.00 0.00 0.00 0.00 61.98 62.66 1com s VAL 42 Cb 0.18 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.65 1com s VAL 42 CO 0.63 0.19 0.97 0.58 0.00 0.00 0.00 175.10 177.47 1com h VAL 43 N 5.18 0.85 -1.72 2.92 2.07 -1.32 -3.46 116.25 120.76 1com h VAL 43 Ca -0.34 -1.02 0.27 0.00 0.82 0.00 0.00 66.70 66.43 1com h VAL 43 Cb 1.16 1.38 -0.12 0.00 -1.52 0.00 0.00 31.29 32.18 1com h VAL 43 CO 0.70 0.20 0.72 0.00 0.02 0.00 0.00 177.57 179.22 1com s GLN 44 N -3.71 0.61 -0.01 1.57 -2.07 -1.23 -4.58 119.66 110.23 1com s GLN 44 Ca -0.13 -0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.10 1com s GLN 44 Cb 0.01 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.15 1com s GLN 44 CO 0.50 -0.28 -0.01 1.41 -1.32 0.00 0.00 175.29 175.60 1com s MET 45 N -2.68 0.11 0.02 9.60 1.75 0.08 -1.40 119.30 126.79 1com s MET 45 Ca 0.12 -0.02 0.08 0.00 -1.25 0.00 0.00 55.69 54.62 1com s MET 45 Cb 0.02 -0.15 -0.03 0.00 2.84 0.00 0.00 34.83 37.51 1com s MET 45 CO -0.03 -0.00 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.61 1com s LEU 46 N 0.16 2.39 -0.04 4.11 1.43 -0.41 -2.06 118.68 124.27 1com s LEU 46 Ca -0.01 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1com s LEU 46 Cb -0.03 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.78 1com s LEU 46 CO -0.00 0.28 -0.10 -0.76 0.23 0.00 0.00 176.35 176.00 1com s LEU 47 N -1.16 1.72 0.20 1.79 1.43 0.09 -1.72 118.68 121.03 1com s LEU 47 Ca 0.13 -0.21 0.11 0.00 -1.03 0.00 0.00 54.13 53.12 1com s LEU 47 Cb -0.10 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1com s LEU 47 CO 0.03 0.05 -0.21 -0.94 0.23 0.00 0.00 176.35 175.51 1com s SER 48 N 0.35 3.60 0.01 2.29 1.04 0.20 -1.26 113.70 119.91 1com s SER 48 Ca -0.06 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.56 1com s SER 48 Cb -0.11 -0.34 -0.01 0.00 0.10 0.00 0.00 66.02 65.66 1com s SER 48 CO 0.01 0.11 -0.12 0.00 0.98 0.00 0.00 173.24 174.22 1com s ALA 49 N -1.79 0.98 0.88 5.32 0.00 -1.06 -1.00 121.76 125.07 1com s ALA 49 Ca 0.23 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 1com s ALA 49 Cb -0.08 -0.21 0.12 0.00 0.00 0.00 0.00 23.12 22.96 1com s ALA 49 CO 0.11 0.21 1.15 0.95 0.00 0.00 0.00 175.76 178.19 1com s THR 50 N -0.47 2.18 -2.00 0.00 -4.23 -0.35 -0.85 115.64 109.92 1com s THR 50 Ca 0.03 0.06 0.12 0.00 -1.18 0.00 0.00 61.69 60.73 1com s THR 50 Cb -0.06 -2.21 0.35 0.00 1.34 0.00 0.00 72.50 71.93 1com s THR 50 CO 0.00 -0.07 1.17 -0.81 -0.54 0.00 0.00 174.62 174.37 1com n PRO 51 N -3.95 0.50 0.00 3.99 -0.04 -1.26 -2.72 135.00 131.51 1com n PRO 51 Ca 0.12 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 1com n PRO 51 Cb 0.52 -1.39 0.55 0.00 -0.04 0.00 0.00 33.50 33.14 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 -0.89 1.27 -4.24 3.54 5.68 -1.26 -4.83 116.55 115.82 1com n ASP 52 Ca 0.09 -1.35 -0.34 0.00 -0.50 0.00 0.00 54.79 52.69 1com n ASP 52 Cb 0.04 0.01 -0.14 0.00 -1.14 0.00 0.00 41.12 39.89 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 -2.08 2.83 0.00 -2.12 1.43 -1.10 -4.95 118.68 112.68 1com s LEU 53 Ca 0.37 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1com s LEU 53 Cb 0.21 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1com s LEU 53 CO 0.37 -0.05 0.69 1.41 0.23 0.00 0.00 176.35 179.00 1com n HIS 54 N 4.73 0.00 -0.01 0.29 8.25 -1.26 -4.93 115.22 122.29 1com n HIS 54 Ca -0.18 -0.23 -0.17 0.00 -0.26 0.00 0.00 57.72 56.88 1com n HIS 54 Cb 0.50 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.47 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 0.06 -2.17 -1.41 0.00 -1.93 -3.47 119.26 110.34 1com h ALA 55 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1com h ALA 55 Cb 0.35 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.97 1com h ALA 55 CO 0.00 0.27 0.04 0.54 0.00 0.00 0.00 179.25 180.10 1com s VAL 56 N -3.18 0.02 -0.08 0.00 0.11 -1.26 -4.63 120.40 111.37 1com s VAL 56 Ca -0.14 -0.15 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 1com s VAL 56 Cb 0.03 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 1com s VAL 56 CO 0.80 -0.08 1.70 -0.36 -3.33 0.00 0.00 175.10 173.83 1com s PHE 57 N -1.18 1.90 0.41 1.54 0.08 -1.26 -4.87 117.98 114.59 1com s PHE 57 Ca -0.11 0.21 0.21 0.00 0.12 0.00 0.00 56.93 57.35 1com s PHE 57 Cb -0.02 -3.96 1.18 0.00 -0.57 0.00 0.00 43.02 39.65 1com s PHE 57 CO 0.08 -3.86 1.74 -1.35 -0.10 0.00 0.00 175.22 171.72 1com h PRO 58 N 10.09 0.31 0.00 0.24 0.11 -1.95 -1.64 132.00 139.15 1com h PRO 58 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1com h PRO 58 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1com h PRO 58 CO 0.96 0.20 0.17 0.00 -0.21 0.00 0.00 178.00 179.13 1com h ALA 59 N 1.62 1.16 0.00 -0.75 0.00 -1.94 -1.88 119.26 117.47 1com h ALA 59 Ca 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 1com h ALA 59 Cb 1.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1com h ALA 59 CO -0.33 -0.16 -0.09 -0.22 0.00 0.00 0.00 179.25 178.45 1com h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.69 -1.72 116.57 116.80 1com h LYS 60 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1com h LYS 60 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1com h LYS 60 CO 0.00 0.09 0.00 0.00 -2.27 0.00 0.00 179.45 177.27 1com h ALA 61 N 1.91 1.00 -0.25 5.00 0.00 -1.57 -2.85 119.26 122.49 1com h ALA 61 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1com h ALA 61 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1com h ALA 61 CO 0.01 0.00 -0.21 0.28 0.00 0.00 0.00 179.25 179.33 1com h VAL 62 N 0.00 1.25 0.00 0.00 2.07 -1.52 -0.82 116.25 117.23 1com h VAL 62 Ca 0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1com h VAL 62 Cb 0.55 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1com h VAL 62 CO 0.00 0.37 0.00 0.54 0.02 0.00 0.00 177.57 178.50 1com n ARG 63 N -4.15 0.12 0.09 1.57 1.74 -1.07 -1.30 116.66 113.64 1com n ARG 63 Ca -0.00 0.21 0.09 0.00 -0.77 0.00 0.00 57.85 57.38 1com n ARG 63 Cb 0.37 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.34 0.61 -2.65 5.56 -0.58 -0.31 -4.87 120.64 117.06 1com n GLU 64 Ca 0.05 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.51 1com n GLU 64 Cb 0.10 -1.82 -0.03 0.00 -0.57 0.00 0.00 31.44 29.12 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 -5.45 4.33 0.10 -4.62 1.43 -0.42 -4.98 118.68 109.06 1com s LEU 65 Ca -0.01 1.69 -0.30 0.00 -1.03 0.00 0.00 54.13 54.48 1com s LEU 65 Cb 0.09 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 1com s LEU 65 CO 0.80 -0.36 1.00 -0.44 0.23 0.00 0.00 176.35 177.58 1com s SER 66 N 1.07 7.41 0.00 2.29 0.01 -1.26 -3.14 113.70 120.08 1com s SER 66 Ca 0.52 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1com s SER 66 Cb -0.22 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1com s SER 66 CO 0.25 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1com n GLY 67 N 2.41 0.54 0.18 3.44 0.00 -1.26 -4.94 105.19 105.55 1com n GLY 67 Ca 0.04 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.77 0.00 1.79 1.61 7.02 -1.19 -4.72 117.44 119.19 1com n TRP 68 Ca 0.00 -0.86 0.15 0.00 -1.02 0.00 0.00 57.50 55.77 1com n TRP 68 Cb 0.00 -0.14 0.78 0.00 -2.42 0.00 0.00 31.31 29.53 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 -1.18 1.21 -0.01 -0.99 0.00 -1.26 -2.45 117.38 112.71 1com n GLN 69 Ca 0.14 -0.35 0.06 0.00 0.00 0.00 0.00 57.00 56.84 1com n GLN 69 Cb 0.66 -1.49 0.05 0.00 0.00 0.00 0.00 30.24 29.46 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 -0.59 0.02 -2.42 2.61 4.01 -1.26 -4.96 117.16 114.56 1com n TYR 70 Ca 0.22 -0.02 -0.43 0.00 -0.16 0.00 0.00 57.90 57.51 1com n TYR 70 Cb 0.20 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 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 4.27 0.03 -0.72 1.01 -1.02 -4.98 120.40 118.05 1com s VAL 71 Ca 0.13 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 1com s VAL 71 Cb 0.09 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1com s VAL 71 CO 0.14 -0.17 1.27 -2.16 0.00 0.00 0.00 175.10 174.18 1com s PRO 72 N 3.57 4.37 0.01 2.72 0.04 -1.26 -4.95 135.00 139.50 1com s PRO 72 Ca 0.55 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.44 1com s PRO 72 Cb -0.21 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 30.89 1com s PRO 72 CO 0.15 -0.39 -0.07 0.14 0.04 0.00 0.00 177.00 176.87 1com s VAL 73 N 1.63 0.52 0.13 -0.36 -7.23 -1.26 -0.74 120.40 113.10 1com s VAL 73 Ca 0.60 -0.58 -0.13 0.00 -1.81 0.00 0.00 61.98 60.07 1com s VAL 73 Cb -0.30 -0.50 0.01 0.00 0.56 0.00 0.00 36.38 36.16 1com s VAL 73 CO 0.27 -0.05 0.33 0.28 -0.31 0.00 0.00 175.10 175.62 1com s THR 74 N -0.60 0.08 0.39 5.32 -1.32 -0.88 -4.98 115.64 113.65 1com s THR 74 Ca -0.02 -0.96 0.08 0.00 -1.21 0.00 0.00 61.69 59.58 1com s THR 74 Cb -0.05 -1.43 -0.07 0.00 -1.51 0.00 0.00 72.50 69.43 1com s THR 74 CO 0.00 -0.37 -0.02 0.00 -2.21 0.00 0.00 174.62 172.02 1com s MET 76 N -3.69 1.41 -0.15 0.00 0.23 -0.39 -4.88 119.30 111.83 1com s MET 76 Ca 0.34 -0.72 -0.19 0.00 -1.03 0.00 0.00 55.69 54.10 1com s MET 76 Cb 0.07 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.85 1com s MET 76 CO 0.18 -0.64 0.51 -1.14 -2.03 0.00 0.00 175.02 171.90 1com s GLN 77 N -3.60 4.28 0.41 3.16 0.74 -1.26 -2.58 119.66 120.81 1com s GLN 77 Ca 0.09 0.46 -0.24 0.00 0.05 0.00 0.00 55.36 55.72 1com s GLN 77 Cb -0.03 -3.49 -0.08 0.00 1.10 0.00 0.00 33.01 30.50 1com s GLN 77 CO 0.00 0.01 1.12 -2.00 -0.55 0.00 0.00 175.29 173.87 1com s GLU 78 N 1.10 4.02 0.58 1.67 2.56 -0.03 -4.89 118.70 123.71 1com s GLU 78 Ca 0.26 1.69 -0.18 0.00 0.00 0.00 0.00 54.97 56.74 1com s GLU 78 Cb -0.15 -2.56 -0.04 0.00 2.00 0.00 0.00 34.13 33.38 1com s GLU 78 CO 0.10 -0.31 1.13 0.00 -0.56 0.00 0.00 175.26 175.63 1com s MET 79 N -2.47 3.14 -0.27 4.30 0.23 -1.26 -4.16 119.30 118.80 1com s MET 79 Ca 0.59 1.57 -0.22 0.00 -1.03 0.00 0.00 55.69 56.60 1com s MET 79 Cb -0.27 -1.98 -0.01 0.00 -1.53 0.00 0.00 34.83 31.04 1com s MET 79 CO 0.33 -1.01 0.69 0.34 -2.03 0.00 0.00 175.02 173.34 1com s ASP 80 N -1.99 6.62 -0.05 -1.18 2.15 -1.26 -4.85 116.67 116.10 1com s ASP 80 Ca 0.72 0.69 0.05 0.00 0.43 0.00 0.00 52.55 54.44 1com s ASP 80 Cb -0.24 -2.37 -0.01 0.00 -0.30 0.00 0.00 42.92 40.01 1com s ASP 80 CO 0.32 -0.47 -0.21 -0.69 -0.17 0.00 0.00 175.17 173.95 1com s VAL 81 N 2.67 1.76 -0.58 1.11 1.01 -1.26 -5.06 120.40 120.06 1com s VAL 81 Ca 0.29 -0.90 -0.33 0.00 0.00 0.00 0.00 61.98 61.04 1com s VAL 81 Cb -0.15 -1.50 -0.14 0.00 0.00 0.00 0.00 36.38 34.59 1com s VAL 81 CO 0.10 0.50 2.37 0.41 0.00 0.00 0.00 175.10 178.48 1com n THR 82 N 3.08 0.06 -0.26 3.92 -1.04 -1.26 0.61 114.28 119.38 1com n THR 82 Ca -0.18 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1com n THR 82 Cb 0.52 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 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 6.54 0.87 3.78 3.41 0.00 -1.26 -5.04 105.19 113.48 1com n GLY 83 Ca 0.49 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.01 2.72 0.18 -0.02 0.00 0.20 -4.92 107.32 103.47 1com s GLY 84 Ca 0.00 0.75 -0.32 0.00 0.00 0.00 0.00 44.72 45.15 1com s GLY 84 CO 0.00 1.17 1.76 -0.10 0.00 0.00 0.00 173.10 175.94 1com n LEU 85 N -0.26 3.99 -4.95 0.66 7.94 -1.26 -4.96 117.00 118.16 1com n LEU 85 Ca 0.06 1.04 -0.23 0.00 -1.11 0.00 0.00 56.01 55.76 1com n LEU 85 Cb 0.49 -1.56 -0.01 0.00 0.53 0.00 0.00 43.42 42.87 1com n LEU 85 CO 0.45 0.17 0.11 -0.54 -1.11 0.00 0.00 177.39 176.47 1com s LYS 86 N 1.71 3.48 -0.72 1.96 -0.14 -1.26 -4.62 119.74 120.15 1com s LYS 86 Ca 0.78 -0.44 -0.04 0.00 -1.36 0.00 0.00 55.97 54.90 1com s LYS 86 Cb -0.50 -2.73 0.01 0.00 -1.68 0.00 0.00 37.83 32.93 1com s LYS 86 CO 0.34 0.23 0.66 1.63 -0.76 0.00 0.00 175.35 177.45 1com n LYS 87 N -1.64 -1.54 -3.70 1.68 5.02 -1.26 -4.82 118.16 111.91 1com n LYS 87 Ca -0.06 1.34 -0.11 0.00 -2.02 0.00 0.00 58.31 57.46 1com n LYS 87 Cb 0.56 -4.49 -0.12 0.00 -0.02 0.00 0.00 35.03 30.97 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 1.64 3.91 -0.01 0.00 1.01 -0.36 -1.22 121.20 126.16 1com s ILE 89 Ca -0.07 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1com s ILE 89 Cb -0.10 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1com s ILE 89 CO -0.11 0.54 -0.13 -0.13 0.00 0.00 0.00 174.94 175.12 1com s ARG 90 N -0.16 1.07 0.06 2.79 0.52 -0.17 -1.36 118.95 121.71 1com s ARG 90 Ca 0.03 -0.45 0.10 0.00 -0.52 0.00 0.00 55.73 54.89 1com s ARG 90 Cb -0.13 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.29 1com s ARG 90 CO 0.02 0.25 -0.26 0.54 0.02 0.00 0.00 175.30 175.88 1com s VAL 91 N -0.22 2.22 -0.31 3.52 0.11 -0.20 -0.63 120.40 124.89 1com s VAL 91 Ca 0.03 -1.46 0.01 0.00 -2.93 0.00 0.00 61.98 57.63 1com s VAL 91 Cb -0.06 -1.90 0.10 0.00 -1.53 0.00 0.00 36.38 32.99 1com s VAL 91 CO -0.00 0.30 0.07 -0.32 -3.33 0.00 0.00 175.10 171.82 1com s MET 92 N -1.44 0.99 -0.25 1.54 1.75 -0.70 -2.64 119.30 118.56 1com s MET 92 Ca 0.12 -1.29 -0.11 0.00 -1.25 0.00 0.00 55.69 53.16 1com s MET 92 Cb -0.10 -2.39 -0.05 0.00 2.84 0.00 0.00 34.83 35.13 1com s MET 92 CO 0.03 -0.94 0.19 1.41 -0.65 0.00 0.00 175.02 175.06 1com s MET 93 N 1.40 4.05 -0.34 4.11 1.75 0.15 -1.28 119.30 129.13 1com s MET 93 Ca 0.09 -0.24 -0.13 0.00 -1.25 0.00 0.00 55.69 54.16 1com s MET 93 Cb -0.18 -3.57 -0.02 0.00 2.84 0.00 0.00 34.83 33.91 1com s MET 93 CO -0.19 -0.01 0.26 0.99 -0.65 0.00 0.00 175.02 175.42 1com s THR 94 N 1.26 5.27 0.08 10.11 2.01 -0.49 0.47 115.64 134.34 1com s THR 94 Ca 0.08 -0.21 0.09 0.00 0.31 0.00 0.00 61.69 61.96 1com s THR 94 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1com s THR 94 CO 0.06 -0.03 -0.21 0.68 -0.69 0.00 0.00 174.62 174.43 1com s VAL 95 N 1.75 2.64 -0.26 3.82 -7.23 0.39 -0.90 120.40 120.61 1com s VAL 95 Ca 0.07 -1.41 -0.27 0.00 -1.81 0.00 0.00 61.98 58.55 1com s VAL 95 Cb -0.17 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.63 1com s VAL 95 CO 0.11 0.22 0.96 -1.58 -0.31 0.00 0.00 175.10 174.50 1com s GLN 96 N -1.75 4.17 0.02 4.82 0.74 0.45 -0.17 119.66 127.94 1com s GLN 96 Ca 0.15 1.10 -0.28 0.00 0.05 0.00 0.00 55.36 56.38 1com s GLN 96 Cb -0.10 -3.67 0.08 0.00 1.10 0.00 0.00 33.01 30.41 1com s GLN 96 CO 0.07 -0.66 0.69 -0.08 -0.55 0.00 0.00 175.29 174.75 1com s THR 97 N 3.17 0.00 -0.28 -0.34 -1.32 0.44 -4.92 115.64 112.38 1com s THR 97 Ca 0.40 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.04 1com s THR 97 Cb -0.14 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.26 1com s THR 97 CO 0.09 0.00 1.32 0.47 -2.21 0.00 0.00 174.62 174.29 1com n ASP 98 N 0.36 3.32 -4.75 8.08 8.00 -1.26 -2.87 116.55 127.42 1com n ASP 98 Ca -0.17 -2.81 -0.41 0.00 0.71 0.00 0.00 54.79 52.11 1com n ASP 98 Cb 0.60 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.44 3.56 0.58 2.53 1.01 -1.26 -4.97 120.40 119.40 1com s VAL 99 Ca 0.35 1.40 -0.20 0.00 0.00 0.00 0.00 61.98 63.52 1com s VAL 99 Cb 0.27 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1com s VAL 99 CO 0.08 0.27 1.19 -2.65 0.00 0.00 0.00 175.10 173.99 1com n PRO 100 N 2.00 1.29 -0.31 2.72 -0.02 -1.26 -4.84 135.00 134.58 1com n PRO 100 Ca 0.02 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 62.02 1com n PRO 100 Cb 0.45 -2.40 0.17 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.95 0.86 0.00 -0.52 4.15 -1.98 0.18 115.11 118.75 1com h GLN 101 Ca -0.50 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.87 1com h GLN 101 Cb 1.33 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1com h GLN 101 CO 0.54 0.57 0.00 -0.40 -1.93 0.00 0.00 178.83 177.61 1com n ASP 102 N -4.68 0.00 -0.46 -0.69 5.68 -1.26 -2.83 116.55 112.31 1com n ASP 102 Ca 0.14 0.11 0.05 0.00 -0.50 0.00 0.00 54.79 54.59 1com n ASP 102 Cb 0.26 -0.31 0.08 0.00 -1.14 0.00 0.00 41.12 40.02 1com n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1com n GLN 103 N -1.31 1.46 -2.34 0.11 6.02 0.61 -4.98 117.38 116.95 1com n GLN 103 Ca 0.07 -1.47 -0.42 0.00 -0.01 0.00 0.00 57.00 55.18 1com n GLN 103 Cb 0.13 -1.21 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 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 -0.89 3.68 -0.51 5.09 -1.09 -1.08 -4.90 121.20 121.50 1com s ILE 104 Ca 0.15 1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 59.62 1com s ILE 104 Cb 0.09 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1com s ILE 104 CO 0.13 0.14 0.84 -0.13 -1.23 0.00 0.00 174.94 174.68 1com s ARG 105 N 0.57 3.31 0.04 2.79 0.52 -1.26 -5.04 118.95 119.88 1com s ARG 105 Ca 0.58 -0.34 -0.16 0.00 -0.52 0.00 0.00 55.73 55.28 1com s ARG 105 Cb -0.32 -4.03 -0.06 0.00 0.52 0.00 0.00 34.95 31.05 1com s ARG 105 CO 0.32 -1.33 0.48 -1.01 0.02 0.00 0.00 175.30 173.78 1com s HIS 106 N 3.51 3.75 -0.18 -0.53 3.76 -1.26 -4.82 115.29 119.52 1com s HIS 106 Ca 0.27 1.11 -0.02 0.00 -0.15 0.00 0.00 55.06 56.27 1com s HIS 106 Cb -0.14 -2.37 -0.01 0.00 1.11 0.00 0.00 32.58 31.17 1com s HIS 106 CO 0.19 0.61 -0.09 0.08 -0.85 0.00 0.00 174.74 174.68 1com s VAL 107 N -1.13 3.19 -0.09 -0.90 1.01 -0.58 -4.97 120.40 116.94 1com s VAL 107 Ca 0.27 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1com s VAL 107 Cb -0.18 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1com s VAL 107 CO 0.16 0.47 -0.12 -0.31 0.00 0.00 0.00 175.10 175.31 1com s TYR 108 N 1.01 1.56 0.37 5.22 2.02 -1.26 -1.34 117.35 124.93 1com s TYR 108 Ca -0.01 -0.66 0.05 0.00 -0.37 0.00 0.00 57.07 56.08 1com s TYR 108 Cb -0.15 -1.18 -0.07 0.00 -0.40 0.00 0.00 41.96 40.17 1com s TYR 108 CO -0.01 -0.37 0.04 -0.51 -1.57 0.00 0.00 175.55 173.13 1com s LEU 109 N 0.98 2.46 0.00 -1.29 1.43 -0.70 -4.47 118.68 117.09 1com s LEU 109 Ca -0.08 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.63 1com s LEU 109 Cb -0.15 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1com s LEU 109 CO -0.00 -0.56 0.00 -0.62 0.23 0.00 0.00 176.35 175.40 1com n GLU 110 N -0.82 0.00 0.13 1.70 -0.58 -1.26 -0.79 120.64 119.01 1com n GLU 110 Ca -0.04 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.83 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 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 1.79 -1.93 -2.99 116.57 116.93 1com h LYS 111 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1com h LYS 111 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1com h LYS 111 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1com n ALA 112 N -1.82 1.89 0.19 3.86 0.00 0.03 -2.57 120.51 122.09 1com n ALA 112 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1com n ALA 112 Cb 0.39 -1.26 0.40 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.27 1.24 0.09 0.00 0.24 -1.13 -1.80 118.33 115.70 1com n VAL 113 Ca 0.08 0.55 -0.05 0.00 -2.04 0.00 0.00 64.34 62.87 1com n VAL 113 Cb 0.12 -1.51 0.12 0.00 -1.47 0.00 0.00 33.84 31.09 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 -2.00 1.67 -0.28 3.34 3.14 -1.06 -5.02 118.33 118.11 1com n VAL 114 Ca -0.00 -0.75 0.00 0.00 -2.96 0.00 0.00 64.34 60.63 1com n VAL 114 Cb 0.07 -0.63 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 1com n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55