#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 0.18 1.12 -4.36 -1.26 -1.15 121.20 117.27 1com s ILE 3 Ca 0.00 -0.93 0.03 0.00 -0.26 0.00 0.00 60.65 59.49 1com s ILE 3 Cb 0.00 -1.30 -0.05 0.00 1.25 0.00 0.00 42.46 42.36 1com s ILE 3 CO 0.00 0.35 -0.04 -0.13 0.24 0.00 0.00 174.94 175.37 1com s ARG 4 N -0.68 1.14 -0.12 0.37 0.52 0.06 -4.91 118.95 115.33 1com s ARG 4 Ca 0.07 -1.53 -0.06 0.00 -0.52 0.00 0.00 55.73 53.69 1com s ARG 4 Cb -0.08 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.89 1com s ARG 4 CO 0.00 -0.05 0.11 0.20 0.02 0.00 0.00 175.30 175.58 1com s GLY 5 N -3.20 2.08 -0.10 -3.53 0.00 -1.26 -0.66 107.32 100.66 1com s GLY 5 Ca 0.22 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.28 1com s GLY 5 CO 0.04 -0.40 -0.19 -0.42 0.00 0.00 0.00 173.10 172.13 1com s ILE 6 N -0.93 2.57 0.06 0.90 1.01 0.17 -4.90 121.20 120.07 1com s ILE 6 Ca 0.14 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1com s ILE 6 Cb -0.12 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1com s ILE 6 CO 0.03 0.55 0.21 -0.13 0.00 0.00 0.00 174.94 175.60 1com s ARG 7 N 0.18 3.44 0.07 2.79 1.81 -1.26 -0.40 118.95 125.59 1com s ARG 7 Ca -0.11 -0.43 -0.11 0.00 -1.72 0.00 0.00 55.73 53.36 1com s ARG 7 Cb -0.16 -3.04 0.01 0.00 -0.45 0.00 0.00 34.95 31.31 1com s ARG 7 CO 0.06 0.61 0.23 0.20 -0.68 0.00 0.00 175.30 175.73 1com s GLY 8 N -2.48 -0.00 -0.24 -3.53 0.00 -1.08 -1.51 107.32 98.48 1com s GLY 8 Ca 0.35 -0.37 -0.23 0.00 0.00 0.00 0.00 44.72 44.47 1com s GLY 8 CO 0.28 -0.56 0.66 0.00 0.00 0.00 0.00 173.10 173.47 1com s ALA 9 N -3.32 -1.64 0.16 3.20 0.00 0.12 -1.11 121.76 119.17 1com s ALA 9 Ca 0.01 1.84 -0.09 0.00 0.00 0.00 0.00 51.96 53.72 1com s ALA 9 Cb 0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1com s ALA 9 CO -0.08 -0.32 0.27 -0.08 0.00 0.00 0.00 175.76 175.56 1com s THR 10 N 0.28 0.07 0.23 0.00 -1.32 -0.53 0.41 115.64 114.78 1com s THR 10 Ca -0.00 -1.40 0.11 0.00 -1.21 0.00 0.00 61.69 59.18 1com s THR 10 Cb -0.04 -1.84 -0.05 0.00 -1.51 0.00 0.00 72.50 69.06 1com s THR 10 CO 0.01 -0.31 -0.15 0.42 -2.21 0.00 0.00 174.62 172.38 1com s THR 11 N -3.97 2.80 0.01 5.08 -4.23 -1.26 -0.61 115.64 113.46 1com s THR 11 Ca 0.17 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1com s THR 11 Cb 0.03 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 1com s THR 11 CO -0.00 -0.24 -0.13 0.68 -0.54 0.00 0.00 174.62 174.39 1com s VAL 12 N -2.03 3.18 0.22 2.29 -7.23 -0.09 -4.85 120.40 111.89 1com s VAL 12 Ca 0.26 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 1com s VAL 12 Cb -0.07 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1com s VAL 12 CO 0.14 0.42 1.54 -0.33 -0.31 0.00 0.00 175.10 176.57 1com h GLU 13 N 4.72 0.40 -4.60 4.82 4.39 -1.94 -3.46 114.58 118.91 1com h GLU 13 Ca -0.48 -0.25 -0.27 0.00 0.34 0.00 0.00 59.36 58.70 1com h GLU 13 Cb 1.16 0.03 -0.21 0.00 -0.10 0.00 0.00 28.75 29.63 1com h GLU 13 CO 0.51 0.85 -0.73 1.03 -1.16 0.00 0.00 179.01 179.50 1com s ARG 14 N -3.91 0.56 -1.34 2.33 0.52 -1.26 -5.07 118.95 110.78 1com s ARG 14 Ca -0.06 -0.81 -0.15 0.00 -0.52 0.00 0.00 55.73 54.19 1com s ARG 14 Cb 0.12 -0.30 0.08 0.00 0.52 0.00 0.00 34.95 35.37 1com s ARG 14 CO 0.82 0.05 1.89 -3.47 0.02 0.00 0.00 175.30 174.60 1com n ASP 15 N 1.33 4.61 -4.06 0.23 2.03 -1.26 -4.60 116.55 114.84 1com n ASP 15 Ca -0.22 -2.92 -0.19 0.00 0.52 0.00 0.00 54.79 51.99 1com n ASP 15 Cb 0.55 -1.67 -0.14 0.00 -0.72 0.00 0.00 41.12 39.14 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 3.19 0.82 0.21 5.18 -1.32 -1.26 -4.61 115.64 117.84 1com s THR 16 Ca 0.49 -0.57 -0.13 0.00 -1.21 0.00 0.00 61.69 60.27 1com s THR 16 Cb 0.07 -0.71 0.23 0.00 -1.51 0.00 0.00 72.50 70.59 1com s THR 16 CO 0.00 0.13 1.63 -0.08 -2.21 0.00 0.00 174.62 174.10 1com h GLU 17 N 5.62 0.02 -0.75 7.08 4.81 -1.90 0.14 114.58 129.59 1com h GLU 17 Ca -0.33 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1com h GLU 17 Cb 1.18 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1com h GLU 17 CO 0.48 0.01 0.50 1.49 -0.73 0.00 0.00 179.01 180.75 1com h GLU 18 N 0.02 0.97 0.07 1.92 4.81 -1.97 -0.79 114.58 119.61 1com h GLU 18 Ca 0.31 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1com h GLU 18 Cb 0.49 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1com h GLU 18 CO -0.64 0.64 -0.03 1.49 -0.73 0.00 0.00 179.01 179.74 1com h GLU 19 N 1.00 -0.09 -0.25 1.92 4.57 -1.73 -0.99 114.58 119.01 1com h GLU 19 Ca 0.28 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.47 1com h GLU 19 Cb -0.09 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1com h GLU 19 CO -0.06 0.49 0.14 0.82 -1.18 0.00 0.00 179.01 179.21 1com h ILE 20 N -0.85 1.02 -0.03 2.32 2.04 -0.89 -1.24 117.51 119.87 1com h ILE 20 Ca -0.01 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 1com h ILE 20 Cb 0.62 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1com h ILE 20 CO 0.02 0.05 -0.42 -0.07 0.00 0.00 0.00 178.15 177.72 1com h LEU 21 N 0.29 0.08 -0.01 1.44 3.38 -1.22 -1.52 115.31 117.75 1com h LEU 21 Ca 0.10 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1com h LEU 21 Cb 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1com h LEU 21 CO -0.05 0.49 -0.01 -0.61 0.09 0.00 0.00 178.44 178.35 1com h GLN 22 N 0.06 0.03 -0.02 1.13 4.15 -0.92 -2.06 115.11 117.48 1com h GLN 22 Ca 0.00 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.26 1com h GLN 22 Cb 0.78 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 1com h GLN 22 CO 0.06 0.49 -0.67 0.87 -1.93 0.00 0.00 178.83 177.65 1com h LYS 23 N -0.44 0.09 0.14 1.69 1.79 -1.21 -0.54 116.57 118.09 1com h LYS 23 Ca 0.00 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1com h LYS 23 Cb 0.48 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1com h LYS 23 CO 0.00 0.73 -0.07 1.15 -1.08 0.00 0.00 179.45 180.18 1com h THR 24 N 0.06 0.99 -0.85 -0.16 2.02 -1.35 -1.20 112.91 112.42 1com h THR 24 Ca -0.01 -0.57 0.08 0.00 0.77 0.00 0.00 66.41 66.68 1com h THR 24 Cb 1.19 1.34 -0.07 0.00 -1.74 0.00 0.00 68.15 68.87 1com h THR 24 CO 0.09 0.13 0.51 0.50 0.37 0.00 0.00 175.52 177.13 1com h LYS 25 N -0.46 0.87 -0.11 6.66 3.64 -1.26 0.56 116.57 126.45 1com h LYS 25 Ca -0.02 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1com h LYS 25 Cb 0.37 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1com h LYS 25 CO 0.03 0.57 -0.33 1.96 -2.27 0.00 0.00 179.45 179.42 1com h GLN 26 N 0.89 0.22 0.13 1.90 4.20 -1.02 -1.38 115.11 120.05 1com h GLN 26 Ca 0.39 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1com h GLN 26 Cb 0.27 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1com h GLN 26 CO -0.21 0.53 -0.06 1.25 -0.67 0.00 0.00 178.83 179.67 1com h LEU 27 N 0.19 -0.15 -0.30 1.46 5.85 0.31 -2.74 115.31 119.93 1com h LEU 27 Ca 0.03 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.48 1com h LEU 27 Cb 0.68 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 1com h LEU 27 CO 0.05 0.28 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.05 1com h LEU 28 N -0.60 -0.99 -0.86 2.25 3.38 -0.98 -1.13 115.31 116.37 1com h LEU 28 Ca -0.02 0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.31 1com h LEU 28 Cb 0.47 0.46 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 1com h LEU 28 CO 0.03 -0.32 0.38 -0.33 0.09 0.00 0.00 178.44 178.29 1com h GLU 29 N -0.28 0.44 -0.18 1.13 5.08 -1.26 0.19 114.58 119.69 1com h GLU 29 Ca 0.15 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 1com h GLU 29 Cb 0.52 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1com h GLU 29 CO -0.46 0.29 -0.69 -0.22 -1.00 0.00 0.00 179.01 176.93 1com h LYS 30 N 0.46 0.75 -0.63 2.33 1.63 -1.05 -1.45 116.57 118.61 1com h LYS 30 Ca 0.51 -0.56 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1com h LYS 30 Cb 0.89 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.59 1com h LYS 30 CO -0.47 1.18 0.41 0.82 -3.45 0.00 0.00 179.45 177.94 1com h ILE 31 N 0.53 1.16 -0.32 2.00 2.04 0.52 -1.73 117.51 121.71 1com h ILE 31 Ca -0.03 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1com h ILE 31 Cb 1.30 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1com h ILE 31 CO 0.14 0.16 -0.20 0.40 0.00 0.00 0.00 178.15 178.65 1com h ILE 32 N 0.85 1.26 0.15 -0.67 2.04 -1.11 -1.23 117.51 118.81 1com h ILE 32 Ca 0.23 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1com h ILE 32 Cb -0.09 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1com h ILE 32 CO -0.05 0.40 -0.07 -0.08 0.00 0.00 0.00 178.15 178.35 1com h GLU 33 N 0.53 -0.19 -0.79 2.37 4.81 -0.82 0.37 114.58 120.87 1com h GLU 33 Ca 0.08 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.44 1com h GLU 33 Cb 0.64 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.98 1com h GLU 33 CO 0.05 0.24 0.41 0.93 -0.73 0.00 0.00 179.01 179.91 1com h GLU 34 N -0.73 0.64 -0.02 1.92 4.39 -1.33 -2.80 114.58 116.65 1com h GLU 34 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1com h GLU 34 Cb 0.52 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1com h GLU 34 CO 0.03 0.42 -0.40 0.09 -1.16 0.00 0.00 179.01 177.99 1com n ASN 35 N -4.83 1.98 -3.17 1.42 3.02 -0.47 -4.85 115.26 108.36 1com n ASN 35 Ca 0.14 -1.49 -0.23 0.00 -0.03 0.00 0.00 54.58 52.97 1com n ASN 35 Cb 0.33 0.44 0.04 0.00 -0.61 0.00 0.00 39.78 39.98 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 0.04 -2.14 -2.31 3.10 8.25 0.13 -4.93 115.22 117.36 1com n HIS 36 Ca 0.09 0.62 -0.40 0.00 -0.26 0.00 0.00 57.72 57.76 1com n HIS 36 Cb 0.44 -4.50 -0.03 0.00 1.12 0.00 0.00 29.99 27.02 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 -3.19 3.14 -0.06 1.59 2.01 -0.89 -5.02 115.64 113.20 1com s THR 37 Ca 0.37 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.51 1com s THR 37 Cb -0.17 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1com s THR 37 CO 0.46 0.24 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.96 1com s LYS 38 N -1.73 2.68 0.27 4.92 -0.14 -1.26 -4.93 119.74 119.54 1com s LYS 38 Ca 0.48 -0.66 -0.01 0.00 -1.36 0.00 0.00 55.97 54.42 1com s LYS 38 Cb -0.35 -2.46 0.59 0.00 -1.68 0.00 0.00 37.83 33.94 1com s LYS 38 CO 0.45 0.57 1.70 -1.00 -0.76 0.00 0.00 175.35 176.31 1com h PRO 39 N 5.52 0.35 0.00 -1.68 0.13 -1.93 -1.82 132.00 132.57 1com h PRO 39 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1com h PRO 39 Cb 1.16 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1com h PRO 39 CO 0.52 0.23 0.00 -0.85 -0.23 0.00 0.00 178.00 177.67 1com n GLU 40 N -5.08 0.03 0.05 0.86 0.00 -1.26 -1.37 120.64 113.86 1com n GLU 40 Ca 0.18 0.45 0.12 0.00 0.00 0.00 0.00 57.16 57.91 1com n GLU 40 Cb 0.55 -1.58 0.18 0.00 0.00 0.00 0.00 31.44 30.59 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 -1.64 0.66 -4.62 -1.84 8.00 -0.68 -4.89 116.55 111.54 1com n ASP 41 Ca 0.01 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 1com n ASP 41 Cb 0.06 0.18 -0.05 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 -3.14 4.79 0.05 2.53 1.01 -0.47 -1.38 120.40 123.79 1com s VAL 42 Ca 0.07 1.29 -0.32 0.00 0.00 0.00 0.00 61.98 63.02 1com s VAL 42 Cb 0.14 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 1com s VAL 42 CO 0.72 -0.22 1.46 0.58 0.00 0.00 0.00 175.10 177.64 1com h VAL 43 N 5.57 0.21 -2.86 2.92 2.07 -0.71 -3.45 116.25 119.99 1com h VAL 43 Ca -0.24 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.21 1com h VAL 43 Cb 1.09 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1com h VAL 43 CO 0.89 0.01 0.35 0.00 0.02 0.00 0.00 177.57 178.84 1com s GLN 44 N -5.61 1.91 -0.07 1.57 -2.07 -1.22 -4.53 119.66 109.64 1com s GLN 44 Ca -0.17 -1.20 -0.11 0.00 -1.82 0.00 0.00 55.36 52.06 1com s GLN 44 Cb 0.02 0.56 0.02 0.00 -1.09 0.00 0.00 33.01 32.52 1com s GLN 44 CO 0.57 -0.89 0.28 1.41 -1.32 0.00 0.00 175.29 175.33 1com s MET 45 N -2.58 0.46 -0.05 9.60 -2.45 -0.37 -1.17 119.30 122.74 1com s MET 45 Ca 0.16 0.12 0.02 0.00 -1.25 0.00 0.00 55.69 54.74 1com s MET 45 Cb -0.04 0.21 0.01 0.00 1.25 0.00 0.00 34.83 36.26 1com s MET 45 CO 0.09 -0.09 -0.10 -0.51 1.05 0.00 0.00 175.02 175.46 1com s LEU 46 N -0.50 1.59 -0.06 4.11 1.43 -0.34 -2.42 118.68 122.49 1com s LEU 46 Ca -0.06 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1com s LEU 46 Cb -0.04 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 1com s LEU 46 CO 0.02 0.02 -0.22 -0.76 0.23 0.00 0.00 176.35 175.63 1com s LEU 47 N 0.64 2.02 0.33 1.79 1.43 -0.62 -0.82 118.68 123.45 1com s LEU 47 Ca -0.12 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1com s LEU 47 Cb -0.14 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1com s LEU 47 CO 0.02 0.20 0.02 -0.94 0.23 0.00 0.00 176.35 175.88 1com s SER 48 N 0.03 4.26 -0.04 2.29 1.04 -0.43 -1.57 113.70 119.27 1com s SER 48 Ca -0.07 -0.94 -0.15 0.00 0.48 0.00 0.00 55.95 55.27 1com s SER 48 Cb -0.14 -0.57 0.03 0.00 0.10 0.00 0.00 66.02 65.43 1com s SER 48 CO 0.04 -0.22 0.33 0.00 0.98 0.00 0.00 173.24 174.37 1com s ALA 49 N -2.49 -0.82 0.72 5.32 0.00 -1.03 -1.36 121.76 122.10 1com s ALA 49 Ca 0.35 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 1com s ALA 49 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1com s ALA 49 CO 0.20 -0.24 0.92 0.25 0.00 0.00 0.00 175.76 176.88 1com n THR 50 N 1.63 2.66 0.66 0.00 -2.24 -1.12 -1.16 114.28 114.71 1com n THR 50 Ca -0.20 -0.37 0.03 0.00 -2.27 0.00 0.00 64.05 61.24 1com n THR 50 Cb 0.56 -1.06 0.16 0.00 -2.10 0.00 0.00 70.33 67.90 1com n THR 50 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1com n PRO 51 N -1.74 0.33 -0.24 -0.78 -0.04 -1.26 -2.33 135.00 128.93 1com n PRO 51 Ca 0.13 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 1com n PRO 51 Cb 0.49 -1.26 0.27 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.76 3.25 -4.20 3.54 5.68 -1.26 -4.91 116.55 117.89 1com n ASP 52 Ca 0.04 -1.97 -0.33 0.00 -0.50 0.00 0.00 54.79 52.03 1com n ASP 52 Cb 0.02 -0.32 -0.16 0.00 -1.14 0.00 0.00 41.12 39.52 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 -1.26 2.34 0.00 -2.12 1.43 -0.99 -4.92 118.68 113.17 1com s LEU 53 Ca 0.40 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1com s LEU 53 Cb 0.22 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1com s LEU 53 CO 0.30 0.03 0.27 1.41 0.23 0.00 0.00 176.35 178.59 1com n HIS 54 N 4.40 0.00 -0.04 0.29 8.25 -1.26 -4.91 115.22 121.94 1com n HIS 54 Ca -0.20 -0.03 -0.14 0.00 -0.26 0.00 0.00 57.72 57.09 1com n HIS 54 Cb 0.51 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 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 0.14 -2.53 -1.41 0.00 -1.94 -3.46 119.26 110.05 1com h ALA 55 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1com h ALA 55 Cb 0.40 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.02 1com h ALA 55 CO 0.00 0.09 -0.36 0.54 0.00 0.00 0.00 179.25 179.52 1com s VAL 56 N -3.88 0.13 -0.20 0.00 0.11 -1.26 -4.76 120.40 110.54 1com s VAL 56 Ca -0.15 -1.05 -0.28 0.00 -2.93 0.00 0.00 61.98 57.57 1com s VAL 56 Cb 0.04 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1com s VAL 56 CO 0.75 -0.58 1.00 -0.36 -3.33 0.00 0.00 175.10 172.57 1com s PHE 57 N -3.40 3.38 0.45 1.54 0.08 -1.26 -4.92 117.98 113.85 1com s PHE 57 Ca 0.01 1.44 0.37 0.00 0.12 0.00 0.00 56.93 58.87 1com s PHE 57 Cb 0.03 -3.21 1.99 0.00 -0.57 0.00 0.00 43.02 41.26 1com s PHE 57 CO -0.08 -0.40 2.12 -1.35 -0.10 0.00 0.00 175.22 175.40 1com h PRO 58 N 7.39 0.00 0.00 0.24 0.11 -1.96 0.49 132.00 138.28 1com h PRO 58 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1com h PRO 58 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1com h PRO 58 CO 0.93 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 1com h ALA 59 N 1.89 1.00 -0.58 -0.75 0.00 -1.96 -2.61 119.26 116.25 1com h ALA 59 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1com h ALA 59 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1com h ALA 59 CO 0.00 0.00 0.39 -0.22 0.00 0.00 0.00 179.25 179.42 1com h LYS 60 N 0.00 0.43 0.00 0.00 3.64 -1.30 -1.36 116.57 117.98 1com h LYS 60 Ca 0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1com h LYS 60 Cb 0.36 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1com h LYS 60 CO 0.00 0.28 -0.00 0.00 -2.27 0.00 0.00 179.45 177.46 1com h ALA 61 N 1.70 1.00 0.00 5.00 0.00 -1.69 -2.86 119.26 122.42 1com h ALA 61 Ca 0.26 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1com h ALA 61 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1com h ALA 61 CO -0.07 0.00 -0.39 0.28 0.00 0.00 0.00 179.25 179.07 1com h VAL 62 N 0.00 0.83 0.00 0.00 2.07 -1.45 -2.49 116.25 115.20 1com h VAL 62 Ca -0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1com h VAL 62 Cb 0.05 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1com h VAL 62 CO 0.00 0.38 0.00 0.54 0.02 0.00 0.00 177.57 178.51 1com n ARG 63 N -3.42 0.00 -0.90 1.57 1.74 -1.08 -2.36 116.66 112.21 1com n ARG 63 Ca 0.00 0.32 -0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1com n ARG 63 Cb 0.56 -1.51 0.33 0.00 -1.02 0.00 0.00 32.46 30.82 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 -1.51 4.06 -4.09 5.56 1.02 -0.94 -4.74 120.64 120.00 1com n GLU 64 Ca 0.03 -2.88 -0.32 0.00 -0.02 0.00 0.00 57.16 53.96 1com n GLU 64 Cb 0.13 -2.19 -0.15 0.00 -0.02 0.00 0.00 31.44 29.21 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 -2.66 2.85 0.37 -4.62 1.43 -0.99 -5.09 118.68 109.96 1com s LEU 65 Ca 0.51 -1.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.27 1com s LEU 65 Cb 0.40 -1.52 -0.11 0.00 0.03 0.00 0.00 46.19 44.99 1com s LEU 65 CO 0.14 -0.10 1.51 -0.44 0.23 0.00 0.00 176.35 177.68 1com s SER 66 N 1.19 6.33 0.00 2.29 0.01 -1.26 -2.63 113.70 119.63 1com s SER 66 Ca -0.03 3.06 0.00 0.00 1.31 0.00 0.00 55.95 60.29 1com s SER 66 Cb -0.17 -2.67 0.00 0.00 0.21 0.00 0.00 66.02 63.40 1com s SER 66 CO -0.09 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.28 1com n GLY 67 N 0.65 1.70 1.83 3.44 0.00 -1.26 -4.94 105.19 106.61 1com n GLY 67 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 2.16 -0.29 1.61 7.02 -1.08 -4.63 117.44 120.23 1com n TRP 68 Ca 0.00 -1.06 -0.04 0.00 -1.02 0.00 0.00 57.50 55.38 1com n TRP 68 Cb 0.00 -0.60 0.07 0.00 -2.42 0.00 0.00 31.31 28.36 1com n TRP 68 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 1com h GLN 69 N 2.89 1.03 -0.32 -0.99 4.15 -1.89 -2.82 115.11 117.17 1com h GLN 69 Ca 0.16 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1com h GLN 69 Cb 2.13 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.59 1com h GLN 69 CO 0.61 0.68 0.00 0.66 -1.93 0.00 0.00 178.83 178.85 1com n TYR 70 N -4.54 0.41 -2.49 3.99 4.01 -1.26 -4.87 117.16 112.41 1com n TYR 70 Ca 0.08 -0.20 -0.43 0.00 -0.16 0.00 0.00 57.90 57.19 1com n TYR 70 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.59 4.30 0.15 -0.72 1.01 -1.07 -4.98 120.40 117.50 1com s VAL 71 Ca 0.34 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 1com s VAL 71 Cb 0.19 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1com s VAL 71 CO 0.27 -0.37 1.16 -2.16 0.00 0.00 0.00 175.10 174.00 1com s PRO 72 N 3.81 4.52 0.06 2.72 0.04 -1.26 -4.93 135.00 139.96 1com s PRO 72 Ca 0.53 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 63.30 1com s PRO 72 Cb -0.17 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 1com s PRO 72 CO 0.18 -0.07 0.05 0.14 0.04 0.00 0.00 177.00 177.34 1com s VAL 73 N 0.19 0.18 0.08 -0.36 -7.23 -1.26 -1.24 120.40 110.77 1com s VAL 73 Ca 0.53 -1.46 -0.19 0.00 -1.81 0.00 0.00 61.98 59.05 1com s VAL 73 Cb -0.30 -1.29 0.04 0.00 0.56 0.00 0.00 36.38 35.39 1com s VAL 73 CO 0.34 -0.81 0.45 0.28 -0.31 0.00 0.00 175.10 175.05 1com s THR 74 N -3.53 0.05 0.42 5.32 -1.32 -1.02 -4.96 115.64 110.60 1com s THR 74 Ca 0.03 -0.42 0.07 0.00 -1.21 0.00 0.00 61.69 60.17 1com s THR 74 Cb 0.05 -1.04 -0.03 0.00 -1.51 0.00 0.00 72.50 69.97 1com s THR 74 CO -0.09 -0.23 0.31 0.00 -2.21 0.00 0.00 174.62 172.40 1com s MET 76 N -4.05 1.27 -0.01 0.00 0.23 -0.61 -4.89 119.30 111.24 1com s MET 76 Ca 0.45 -0.49 -0.20 0.00 -1.03 0.00 0.00 55.69 54.43 1com s MET 76 Cb -0.01 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 33.81 1com s MET 76 CO 0.26 -0.56 0.56 -1.14 -2.03 0.00 0.00 175.02 172.11 1com s GLN 77 N -3.70 4.27 0.68 3.16 0.74 -1.26 -2.46 119.66 121.09 1com s GLN 77 Ca 0.02 0.67 -0.12 0.00 0.05 0.00 0.00 55.36 55.98 1com s GLN 77 Cb -0.01 -3.33 -0.00 0.00 1.10 0.00 0.00 33.01 30.76 1com s GLN 77 CO -0.11 0.39 1.06 -2.00 -0.55 0.00 0.00 175.29 174.08 1com s GLU 78 N -0.25 3.01 0.42 1.67 2.56 -0.30 -4.86 118.70 120.95 1com s GLU 78 Ca 0.30 1.00 -0.22 0.00 0.00 0.00 0.00 54.97 56.05 1com s GLU 78 Cb -0.18 -2.00 -0.10 0.00 2.00 0.00 0.00 34.13 33.85 1com s GLU 78 CO 0.16 -1.04 0.96 0.00 -0.56 0.00 0.00 175.26 174.78 1com s MET 79 N -4.86 4.22 -0.56 4.30 0.23 -1.26 -4.50 119.30 116.87 1com s MET 79 Ca 0.59 1.19 -0.22 0.00 -1.03 0.00 0.00 55.69 56.23 1com s MET 79 Cb -0.14 -2.27 0.06 0.00 -1.53 0.00 0.00 34.83 30.95 1com s MET 79 CO 0.51 -0.04 0.81 0.34 -2.03 0.00 0.00 175.02 174.61 1com s ASP 80 N -2.05 6.25 -0.10 -1.18 2.15 -1.26 -4.90 116.67 115.58 1com s ASP 80 Ca 0.61 -0.78 0.02 0.00 0.43 0.00 0.00 52.55 52.83 1com s ASP 80 Cb -0.12 -2.37 -0.02 0.00 -0.30 0.00 0.00 42.92 40.12 1com s ASP 80 CO 0.16 -1.14 -0.16 -0.69 -0.17 0.00 0.00 175.17 173.17 1com s VAL 81 N 3.38 2.84 0.07 1.11 1.01 -1.26 -5.04 120.40 122.51 1com s VAL 81 Ca 0.21 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 61.12 1com s VAL 81 Cb -0.17 -2.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.96 1com s VAL 81 CO 0.14 0.55 1.87 0.41 0.00 0.00 0.00 175.10 178.06 1com n THR 82 N 3.17 0.49 -1.04 3.92 -1.04 -1.26 0.49 114.28 119.01 1com n THR 82 Ca -0.18 -0.09 -0.01 0.00 -2.04 0.00 0.00 64.05 61.73 1com n THR 82 Cb 0.53 -2.09 -0.01 0.00 -1.82 0.00 0.00 70.33 66.94 1com n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1com n GLY 83 N 4.29 0.50 3.76 3.41 0.00 -1.26 -5.01 105.19 110.87 1com n GLY 83 Ca 0.19 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.30 3.04 -0.04 -0.02 0.00 0.18 -4.94 107.32 103.25 1com s GLY 84 Ca 0.00 0.70 -0.37 0.00 0.00 0.00 0.00 44.72 45.05 1com s GLY 84 CO 0.00 1.26 1.01 -0.10 0.00 0.00 0.00 173.10 175.27 1com n LEU 85 N 1.19 0.09 -4.89 0.66 7.94 -1.26 -4.93 117.00 115.80 1com n LEU 85 Ca -0.01 1.05 -0.29 0.00 -1.11 0.00 0.00 56.01 55.66 1com n LEU 85 Cb 0.47 -0.83 -0.02 0.00 0.53 0.00 0.00 43.42 43.57 1com n LEU 85 CO 0.50 -1.64 0.45 -0.54 -1.11 0.00 0.00 177.39 175.05 1com s LYS 86 N 0.25 3.66 -1.45 1.96 -0.14 -1.26 -4.46 119.74 118.30 1com s LYS 86 Ca 0.84 0.35 -0.10 0.00 -1.36 0.00 0.00 55.97 55.69 1com s LYS 86 Cb -1.17 -2.37 0.05 0.00 -1.68 0.00 0.00 37.83 32.66 1com s LYS 86 CO 0.54 -0.14 1.01 1.63 -0.76 0.00 0.00 175.35 177.63 1com n LYS 87 N -1.81 -6.15 -4.37 1.68 5.02 -1.26 -4.81 118.16 106.45 1com n LYS 87 Ca 0.02 0.67 -0.34 0.00 -2.02 0.00 0.00 58.31 56.64 1com n LYS 87 Cb 0.54 -5.57 -0.12 0.00 -0.02 0.00 0.00 35.03 29.86 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 0.49 4.60 0.07 0.00 1.09 0.21 -2.78 121.20 124.88 1com s ILE 89 Ca -0.04 -0.10 0.07 0.00 -1.10 0.00 0.00 60.65 59.49 1com s ILE 89 Cb -0.14 -3.08 -0.04 0.00 -1.06 0.00 0.00 42.46 38.14 1com s ILE 89 CO 0.03 0.43 -0.14 -0.13 -0.10 0.00 0.00 174.94 175.03 1com s ARG 90 N 0.66 2.09 0.11 2.79 0.52 -0.47 -1.45 118.95 123.20 1com s ARG 90 Ca 0.03 -1.00 0.09 0.00 -0.52 0.00 0.00 55.73 54.32 1com s ARG 90 Cb -0.13 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1com s ARG 90 CO 0.02 0.52 -0.22 0.54 0.02 0.00 0.00 175.30 176.18 1com s VAL 91 N -1.08 1.80 -0.28 3.52 0.11 -0.26 -1.32 120.40 122.89 1com s VAL 91 Ca 0.18 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.66 1com s VAL 91 Cb -0.11 -1.63 0.08 0.00 -1.53 0.00 0.00 36.38 33.20 1com s VAL 91 CO 0.09 -0.03 0.04 -0.32 -3.33 0.00 0.00 175.10 171.55 1com s MET 92 N -1.92 1.12 -0.22 1.54 1.75 0.00 -2.62 119.30 118.95 1com s MET 92 Ca 0.08 -1.15 -0.09 0.00 -1.25 0.00 0.00 55.69 53.27 1com s MET 92 Cb -0.10 -2.42 -0.04 0.00 2.84 0.00 0.00 34.83 35.10 1com s MET 92 CO 0.04 -0.83 0.12 1.41 -0.65 0.00 0.00 175.02 175.11 1com s MET 93 N 1.43 3.98 -0.34 4.11 1.75 0.47 -1.19 119.30 129.50 1com s MET 93 Ca 0.05 -0.32 -0.10 0.00 -1.25 0.00 0.00 55.69 54.07 1com s MET 93 Cb -0.18 -3.41 0.02 0.00 2.84 0.00 0.00 34.83 34.09 1com s MET 93 CO -0.15 0.09 0.17 0.99 -0.65 0.00 0.00 175.02 175.47 1com s THR 94 N 0.93 4.46 -0.02 10.11 2.01 -0.32 0.42 115.64 133.23 1com s THR 94 Ca 0.06 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1com s THR 94 Cb -0.13 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1com s THR 94 CO 0.03 -0.10 -0.14 0.68 -0.69 0.00 0.00 174.62 174.40 1com s VAL 95 N 1.55 3.08 -0.15 3.82 -7.23 0.17 0.04 120.40 121.69 1com s VAL 95 Ca 0.03 -0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 1com s VAL 95 Cb -0.18 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1com s VAL 95 CO 0.06 0.51 1.66 -1.58 -0.31 0.00 0.00 175.10 175.44 1com s GLN 96 N -0.97 3.93 0.20 4.82 0.74 -0.48 -0.76 119.66 127.14 1com s GLN 96 Ca 0.13 1.91 -0.19 0.00 0.05 0.00 0.00 55.36 57.26 1com s GLN 96 Cb -0.11 -4.03 0.03 0.00 1.10 0.00 0.00 33.01 30.01 1com s GLN 96 CO 0.02 -1.14 0.56 -0.08 -0.55 0.00 0.00 175.29 174.10 1com s THR 97 N 4.85 0.02 -0.08 -0.34 -1.32 -0.30 -4.93 115.64 113.54 1com s THR 97 Ca 0.74 -0.66 0.12 0.00 -1.21 0.00 0.00 61.69 60.67 1com s THR 97 Cb -0.29 -1.52 0.18 0.00 -1.51 0.00 0.00 72.50 69.36 1com s THR 97 CO 0.29 -0.09 1.09 0.47 -2.21 0.00 0.00 174.62 174.18 1com n ASP 98 N -0.36 1.42 -4.74 8.08 8.00 -1.26 -0.61 116.55 127.08 1com n ASP 98 Ca -0.11 -2.67 -0.41 0.00 0.71 0.00 0.00 54.79 52.31 1com n ASP 98 Cb 0.62 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.75 4.31 0.35 2.53 1.01 -1.26 -5.00 120.40 120.59 1com s VAL 99 Ca 0.20 2.02 -0.28 0.00 0.00 0.00 0.00 61.98 63.92 1com s VAL 99 Cb 0.17 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 1com s VAL 99 CO 0.01 0.36 1.37 -0.81 0.00 0.00 0.00 175.10 176.03 1com n PRO 100 N 2.39 2.33 -0.36 2.72 -0.04 -1.26 -4.87 135.00 135.91 1com n PRO 100 Ca 0.01 0.82 0.29 0.00 -0.04 0.00 0.00 63.50 64.58 1com n PRO 100 Cb 0.48 -2.46 0.59 0.00 -0.04 0.00 0.00 33.50 32.08 1com n PRO 100 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1com h GLN 101 N 2.76 0.24 0.00 0.54 4.15 -1.97 0.39 115.11 121.21 1com h GLN 101 Ca -0.48 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1com h GLN 101 Cb 1.27 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1com h GLN 101 CO 0.64 0.16 0.00 -0.40 -1.93 0.00 0.00 178.83 177.29 1com n ASP 102 N -4.55 0.00 -0.08 -0.69 5.75 -1.26 -3.35 116.55 112.37 1com n ASP 102 Ca 0.28 -0.04 0.04 0.00 -0.01 0.00 0.00 54.79 55.06 1com n ASP 102 Cb 1.09 -0.31 0.05 0.00 -1.03 0.00 0.00 41.12 40.93 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 1.67 -3.06 0.11 6.02 0.14 -5.00 117.38 115.96 1com n GLN 103 Ca 0.12 -1.73 -0.40 0.00 -0.01 0.00 0.00 57.00 54.98 1com n GLN 103 Cb 0.22 -1.07 -0.05 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.48 4.86 -0.30 5.09 -1.09 -1.19 -4.88 121.20 122.22 1com s ILE 104 Ca 0.12 1.48 -0.16 0.00 -2.23 0.00 0.00 60.65 59.86 1com s ILE 104 Cb 0.10 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 1com s ILE 104 CO 0.01 0.35 0.42 -0.13 -1.23 0.00 0.00 174.94 174.36 1com s ARG 105 N 0.14 3.86 -0.14 2.79 0.52 -1.26 -5.05 118.95 119.81 1com s ARG 105 Ca 0.36 -0.04 -0.10 0.00 -0.52 0.00 0.00 55.73 55.43 1com s ARG 105 Cb -0.19 -3.71 -0.05 0.00 0.52 0.00 0.00 34.95 31.52 1com s ARG 105 CO 0.20 -0.41 0.19 -1.01 0.02 0.00 0.00 175.30 174.29 1com s HIS 106 N 2.17 3.53 -0.27 -0.53 3.76 -1.26 -4.74 115.29 117.95 1com s HIS 106 Ca 0.16 0.52 -0.05 0.00 -0.15 0.00 0.00 55.06 55.55 1com s HIS 106 Cb -0.16 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.43 1com s HIS 106 CO 0.11 0.50 0.02 0.08 -0.85 0.00 0.00 174.74 174.61 1com s VAL 107 N -0.34 3.55 -0.35 -0.90 1.01 -0.57 -4.99 120.40 117.82 1com s VAL 107 Ca 0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1com s VAL 107 Cb -0.12 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.52 1com s VAL 107 CO 0.03 0.14 0.09 -0.31 0.00 0.00 0.00 175.10 175.05 1com s TYR 108 N 1.44 3.46 0.30 5.22 2.02 -1.26 0.11 117.35 128.64 1com s TYR 108 Ca 0.02 -2.24 0.07 0.00 -0.37 0.00 0.00 57.07 54.55 1com s TYR 108 Cb -0.17 -2.67 -0.03 0.00 -0.40 0.00 0.00 41.96 38.70 1com s TYR 108 CO -0.00 -0.89 0.26 -0.51 -1.57 0.00 0.00 175.55 172.83 1com s LEU 109 N 1.16 3.70 0.00 -1.29 1.43 0.16 -4.19 118.68 119.66 1com s LEU 109 Ca 0.02 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1com s LEU 109 Cb -0.21 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1com s LEU 109 CO -0.03 -0.22 0.00 -0.62 0.23 0.00 0.00 176.35 175.71 1com n GLU 110 N -1.30 0.00 0.05 1.70 -0.58 -1.26 -1.68 120.64 117.56 1com n GLU 110 Ca -0.04 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.82 1com n GLU 110 Cb 0.59 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 31.94 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 13.67 0.10 0.00 3.49 5.02 -1.26 -3.05 118.16 136.12 1com n LYS 111 Ca 0.00 0.16 0.06 0.00 -2.02 0.00 0.00 58.31 56.52 1com n LYS 111 Cb 0.00 -1.63 0.28 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.61 1.61 0.30 7.82 0.00 -0.68 -2.73 120.51 125.22 1com n ALA 112 Ca 0.05 -0.05 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1com n ALA 112 Cb 0.32 -1.21 0.97 0.00 0.00 0.00 0.00 19.45 19.53 1com n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1com h VAL 113 N 0.00 0.15 0.00 0.00 -1.51 -1.62 0.04 116.25 113.31 1com h VAL 113 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1com h VAL 113 Cb 0.22 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1com h VAL 113 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 177.57 177.96 1com h VAL 114 N 0.00 0.00 -0.23 7.19 3.04 -1.81 -3.37 116.25 121.07 1com h VAL 114 Ca 0.03 -0.67 -0.06 0.00 -1.01 0.00 0.00 66.70 64.99 1com h VAL 114 Cb 0.36 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 1com h VAL 114 CO -0.00 0.00 -0.11 -0.07 -1.01 0.00 0.00 177.57 176.38 1com h LEU 115 N 0.00 0.49 -6.07 3.16 3.38 -1.22 -3.36 115.31 111.70 1com h LEU 115 Ca 0.00 -0.41 -0.58 0.00 0.09 0.00 0.00 57.88 56.98 1com h LEU 115 Cb 0.78 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.99 1com h LEU 115 CO 0.00 0.79 -0.87 0.54 0.09 0.00 0.00 178.44 178.99 1com n ARG 116 N -4.52 1.57 -2.32 1.13 5.12 -1.26 -5.01 116.66 111.37 1com n ARG 116 Ca -0.04 -3.90 -0.35 0.00 -1.93 0.00 0.00 57.85 51.62 1com n ARG 116 Cb 0.34 -1.71 -0.03 0.00 -1.16 0.00 0.00 32.46 29.90 1com n ARG 116 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1com s PRO 117 N -1.84 3.22 0.00 5.56 0.04 -1.26 -1.65 135.00 139.07 1com s PRO 117 Ca 0.38 -1.50 0.00 0.00 0.04 0.00 0.00 61.00 59.92 1com s PRO 117 Cb 0.17 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1com s PRO 117 CO -0.07 -3.10 0.00 -0.40 0.04 0.00 0.00 177.00 173.48 1com n ASP 118 N 11.41 0.00 -0.67 6.66 5.75 -1.26 -5.17 116.55 133.26 1com n ASP 118 Ca 0.46 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 55.37 1com n ASP 118 Cb 0.47 0.00 0.36 0.00 -1.03 0.00 0.00 41.12 40.91 1com n ASP 118 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27