#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw n GLY 2 N 0.00 -0.64 3.36 3.03 0.00 -1.26 -5.10 105.19 104.58 2kpw n GLY 2 Ca 0.00 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 2kpw n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kpw s HIS 3 N 0.03 3.32 0.12 1.61 0.09 -1.26 -5.05 115.29 114.15 2kpw s HIS 3 Ca 0.03 -1.43 -0.30 0.00 -0.00 0.00 0.00 55.06 53.36 2kpw s HIS 3 Cb 0.07 -3.94 -0.06 0.00 -0.00 0.00 0.00 32.58 28.64 2kpw s HIS 3 CO -0.02 -1.16 1.05 -1.01 -0.00 0.00 0.00 174.74 173.60 2kpw s HIS 4 N 1.63 3.67 -0.06 1.40 4.02 -1.26 -5.05 115.29 119.64 2kpw s HIS 4 Ca 0.15 1.65 0.04 0.00 1.02 0.00 0.00 55.06 57.92 2kpw s HIS 4 Cb -0.18 -3.19 -0.00 0.00 -1.02 0.00 0.00 32.58 28.18 2kpw s HIS 4 CO -0.02 -0.32 -0.19 -1.01 1.02 0.00 0.00 174.74 174.23 2kpw s HIS 5 N 0.10 1.90 0.00 1.40 0.09 -1.26 -5.09 115.29 112.43 2kpw s HIS 5 Ca 0.50 -0.61 0.00 0.00 -0.00 0.00 0.00 55.06 54.95 2kpw s HIS 5 Cb -0.26 -1.29 0.00 0.00 -0.00 0.00 0.00 32.58 31.03 2kpw s HIS 5 CO 0.32 -0.22 0.00 0.72 -0.00 0.00 0.00 174.74 175.56 2kpw n HIS 6 N 3.25 0.00 -3.61 1.40 -0.00 -1.26 -5.14 115.22 109.86 2kpw n HIS 6 Ca -0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.49 2kpw n HIS 6 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.50 2kpw n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kpw s HIS 7 N -0.12 -0.18 0.07 4.41 0.00 -1.26 -5.17 115.29 113.04 2kpw s HIS 7 Ca 0.00 0.02 0.02 0.00 -3.00 0.00 0.00 55.06 52.11 2kpw s HIS 7 Cb 0.00 0.56 -0.04 0.00 -4.00 0.00 0.00 32.58 29.10 2kpw s HIS 7 CO 0.00 -0.48 0.09 -3.38 -1.00 0.00 0.00 174.74 169.97 2kpw s HIS 8 N -2.85 3.22 0.22 0.38 0.00 -1.26 -5.13 115.29 109.87 2kpw s HIS 8 Ca 0.10 0.10 -0.11 0.00 -3.00 0.00 0.00 55.06 52.15 2kpw s HIS 8 Cb 0.00 -1.64 -0.01 0.00 -4.00 0.00 0.00 32.58 26.93 2kpw s HIS 8 CO -0.04 0.53 0.39 0.45 -1.00 0.00 0.00 174.74 175.07 2kpw s SER 9 N -2.33 -0.04 -0.14 7.38 0.15 -1.26 -5.16 113.70 112.30 2kpw s SER 9 Ca 0.29 -0.95 -0.04 0.00 0.70 0.00 0.00 55.95 55.95 2kpw s SER 9 Cb -0.12 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 2kpw s SER 9 CO 0.22 -1.04 0.02 -1.00 1.20 0.00 0.00 173.24 172.63 2kpw s HIS 10 N -4.02 3.18 -0.49 3.44 0.09 -1.26 -5.07 115.29 111.15 2kpw s HIS 10 Ca 0.23 0.04 -0.24 0.00 -0.00 0.00 0.00 55.06 55.09 2kpw s HIS 10 Cb 0.01 -1.93 0.03 0.00 -0.00 0.00 0.00 32.58 30.69 2kpw s HIS 10 CO 0.07 0.25 0.86 -1.64 -0.00 0.00 0.00 174.74 174.28 2kpw s MET 11 N -0.17 3.39 0.00 1.40 1.00 -1.26 -4.89 119.30 118.77 2kpw s MET 11 Ca 0.05 -0.14 0.23 0.00 0.00 0.00 0.00 55.69 55.83 2kpw s MET 11 Cb -0.12 -3.98 0.77 0.00 0.00 0.00 0.00 34.83 31.49 2kpw s MET 11 CO 0.02 -1.28 1.57 0.25 0.00 0.00 0.00 175.02 175.58 2kpw n THR 12 N 6.20 0.18 -2.33 2.05 -2.24 -1.26 -4.78 114.28 112.09 2kpw n THR 12 Ca 0.02 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 61.08 2kpw n THR 12 Cb 0.48 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 2kpw n THR 12 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kpw s GLY 13 N -1.68 0.90 -0.84 3.38 0.00 -1.26 -4.71 107.32 103.11 2kpw s GLY 13 Ca 0.34 -2.41 -0.22 0.00 0.00 0.00 0.00 44.72 42.43 2kpw s GLY 13 CO 0.29 3.11 1.18 0.21 0.00 0.00 0.00 173.10 177.88 2kpw s ASN 14 N 5.55 6.40 -0.19 1.64 2.47 -1.26 -5.00 114.94 124.54 2kpw s ASN 14 Ca 0.60 -1.36 -0.08 0.00 0.42 0.00 0.00 52.86 52.44 2kpw s ASN 14 Cb 0.01 -2.47 -0.04 0.00 -1.45 0.00 0.00 41.25 37.30 2kpw s ASN 14 CO 0.07 -1.39 0.07 -0.69 -3.72 0.00 0.00 177.10 171.43 2kpw s VAL 15 N 4.08 4.77 0.09 -5.21 1.01 -1.26 -1.71 120.40 122.17 2kpw s VAL 15 Ca 0.33 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2kpw s VAL 15 Cb -0.08 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2kpw s VAL 15 CO -0.00 0.44 -0.09 0.00 0.00 0.00 0.00 175.10 175.44 2kpw s ILE 17 N -2.48 3.15 -0.01 0.00 1.01 -1.26 0.63 121.20 122.25 2kpw s ILE 17 Ca 0.05 0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.73 2kpw s ILE 17 Cb -0.03 -3.18 -0.16 0.00 0.01 0.00 0.00 42.46 39.11 2kpw s ILE 17 CO -0.01 -0.02 1.10 -0.08 0.00 0.00 0.00 174.94 175.93 2kpw h GLU 18 N 9.92 -0.42 0.00 2.79 4.81 -0.75 -3.44 114.58 127.49 2kpw h GLU 18 Ca -0.46 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2kpw h GLU 18 Cb 1.21 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2kpw h GLU 18 CO 0.94 -0.09 0.00 -1.91 -0.73 0.00 0.00 179.01 177.22 2kpw n GLU 19 N -5.12 0.00 -3.60 1.92 2.13 -1.11 -5.01 120.64 109.86 2kpw n GLU 19 Ca -0.09 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.44 2kpw n GLU 19 Cb 0.27 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.95 2kpw n GLU 19 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2kpw s ILE 20 N -2.00 5.15 0.59 6.31 1.01 -1.26 -2.45 121.20 128.54 2kpw s ILE 20 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.27 2kpw s ILE 20 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2kpw s ILE 20 CO 0.00 -0.17 1.32 -0.67 0.00 0.00 0.00 174.94 175.43 2kpw n ASP 21 N -0.57 2.40 0.21 3.58 2.03 -0.25 -4.92 116.55 119.03 2kpw n ASP 21 Ca -0.03 0.92 0.06 0.00 0.52 0.00 0.00 54.79 56.25 2kpw n ASP 21 Cb 0.53 -1.56 0.46 0.00 -0.72 0.00 0.00 41.12 39.83 2kpw n ASP 21 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2kpw h VAL 22 N 1.07 1.01 0.04 5.18 3.04 -1.98 -3.05 116.25 121.56 2kpw h VAL 22 Ca -0.51 -1.08 -0.34 0.00 -1.01 0.00 0.00 66.70 63.75 2kpw h VAL 22 Cb 1.32 1.62 -0.05 0.00 -2.01 0.00 0.00 31.29 32.17 2kpw h VAL 22 CO 0.55 0.29 -2.05 -0.67 -1.01 0.00 0.00 177.57 174.68 2kpw n ASP 23 N -3.90 1.24 0.00 3.17 2.03 -1.26 -4.66 116.55 113.17 2kpw n ASP 23 Ca -0.02 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2kpw n ASP 23 Cb 0.37 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 2kpw n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kpw n GLY 24 N 1.84 1.49 0.18 0.27 0.00 -1.15 -2.73 105.19 105.08 2kpw n GLY 24 Ca -0.29 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.77 2kpw n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kpw h LYS 25 N 0.36 0.00 -3.03 1.61 1.57 -1.84 -3.37 116.57 111.87 2kpw h LYS 25 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2kpw h LYS 25 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.19 2kpw h LYS 25 CO 0.00 0.40 0.16 -0.59 -0.57 0.00 0.00 179.45 178.85 2kpw s PHE 26 N -3.81 -0.49 -0.17 -1.35 -0.12 -1.26 -4.00 117.98 106.79 2kpw s PHE 26 Ca -0.01 0.28 0.00 0.00 -0.05 0.00 0.00 56.93 57.16 2kpw s PHE 26 Cb 0.12 0.51 0.03 0.00 -0.63 0.00 0.00 43.02 43.05 2kpw s PHE 26 CO 0.70 -0.82 -0.11 0.42 -0.05 0.00 0.00 175.22 175.36 2kpw s ILE 27 N -3.67 1.52 -0.16 -4.49 1.01 -0.64 -1.09 121.20 113.67 2kpw s ILE 27 Ca 0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 2kpw s ILE 27 Cb -0.01 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 2kpw s ILE 27 CO -0.12 0.29 0.19 -0.60 0.00 0.00 0.00 174.94 174.71 2kpw s ARG 28 N 1.48 4.02 -0.11 2.79 3.52 -1.03 -0.21 118.95 129.42 2kpw s ARG 28 Ca 0.02 -0.08 -0.02 0.00 -0.13 0.00 0.00 55.73 55.53 2kpw s ARG 28 Cb -0.14 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2kpw s ARG 28 CO -0.09 0.41 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.25 2kpw s LEU 29 N -0.01 3.22 -0.13 -0.88 1.02 0.00 -0.05 118.68 121.86 2kpw s LEU 29 Ca 0.13 -0.07 -0.06 0.00 0.02 0.00 0.00 54.13 54.15 2kpw s LEU 29 Cb -0.12 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 2kpw s LEU 29 CO 0.02 0.26 0.07 -0.75 0.02 0.00 0.00 176.35 175.97 2kpw s LYS 30 N -0.20 3.52 -0.53 1.70 2.20 0.21 -0.82 119.74 125.82 2kpw s LYS 30 Ca 0.03 -0.29 -0.27 0.00 -0.36 0.00 0.00 55.97 55.09 2kpw s LYS 30 Cb -0.13 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.14 2kpw s LYS 30 CO 0.03 0.56 1.05 1.21 -0.36 0.00 0.00 175.35 177.84 2kpw s ASN 31 N -0.44 6.45 -0.14 1.43 2.47 -1.20 -1.37 114.94 122.14 2kpw s ASN 31 Ca 0.10 0.03 0.13 0.00 0.42 0.00 0.00 52.86 53.54 2kpw s ASN 31 Cb -0.12 -2.50 0.62 0.00 -1.45 0.00 0.00 41.25 37.81 2kpw s ASN 31 CO 0.02 -1.28 1.48 0.35 -3.72 0.00 0.00 177.10 173.95 2kpw n THR 32 N 6.51 1.81 -1.36 -5.21 -2.24 -0.69 -2.21 114.28 110.89 2kpw n THR 32 Ca 0.07 -1.03 -0.31 0.00 -2.27 0.00 0.00 64.05 60.50 2kpw n THR 32 Cb 0.48 -0.12 0.08 0.00 -2.10 0.00 0.00 70.33 68.68 2kpw n THR 32 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kpw s SER 33 N -0.73 4.67 0.32 3.42 0.01 -1.22 -4.91 113.70 115.26 2kpw s SER 33 Ca 0.43 1.83 0.16 0.00 1.31 0.00 0.00 55.95 59.67 2kpw s SER 33 Cb 0.30 -2.52 0.40 0.00 0.21 0.00 0.00 66.02 64.40 2kpw s SER 33 CO 0.17 -1.93 1.60 -0.33 0.41 0.00 0.00 173.24 173.16 2kpw h GLU 34 N -0.93 0.00 -4.55 12.44 5.08 -1.93 -3.44 114.58 121.25 2kpw h GLU 34 Ca -0.44 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.70 2kpw h GLU 34 Cb 1.23 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.33 2kpw h GLU 34 CO 0.52 0.48 -0.64 -1.14 -1.00 0.00 0.00 179.01 177.23 2kpw s GLN 35 N -3.33 1.05 -0.15 2.33 0.74 -1.26 -4.92 119.66 114.13 2kpw s GLN 35 Ca 0.01 -1.52 -0.29 0.00 0.05 0.00 0.00 55.36 53.61 2kpw s GLN 35 Cb 0.10 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.31 2kpw s GLN 35 CO 0.72 -0.28 1.65 -0.51 -0.55 0.00 0.00 175.29 176.32 2kpw s ASP 36 N -3.11 6.47 0.02 6.67 1.01 -1.26 -4.39 116.67 122.08 2kpw s ASP 36 Ca 0.29 1.91 0.03 0.00 0.71 0.00 0.00 52.55 55.48 2kpw s ASP 36 Cb 0.07 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 2kpw s ASP 36 CO 0.05 -1.13 -0.09 -1.10 0.21 0.00 0.00 175.17 173.11 2kpw s GLN 37 N 4.45 0.66 0.57 8.23 -1.52 -0.23 -4.92 119.66 126.91 2kpw s GLN 37 Ca 0.73 -0.52 -0.21 0.00 -1.95 0.00 0.00 55.36 53.41 2kpw s GLN 37 Cb -0.29 -0.59 -0.04 0.00 -0.22 0.00 0.00 33.01 31.87 2kpw s GLN 37 CO 0.29 0.15 1.33 -2.14 -0.25 0.00 0.00 175.29 174.67 2kpw s PRO 38 N -0.80 2.99 0.14 2.91 0.02 -1.26 -0.06 135.00 138.94 2kpw s PRO 38 Ca -0.01 2.16 -0.20 0.00 0.02 0.00 0.00 61.00 62.97 2kpw s PRO 38 Cb -0.06 -2.14 -0.00 0.00 0.02 0.00 0.00 34.50 32.32 2kpw s PRO 38 CO 0.00 -1.29 1.69 1.98 -0.33 0.00 0.00 177.00 179.05 2kpw h MET 39 N 1.20 -0.06 0.00 5.54 4.05 -1.71 -3.45 114.93 120.50 2kpw h MET 39 Ca -0.51 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 2kpw h MET 39 Cb 1.31 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 2kpw h MET 39 CO 0.56 -0.04 0.00 0.41 0.23 0.00 0.00 176.91 178.07 2kpw n GLY 40 N -1.25 1.59 2.95 1.39 0.00 -1.26 -4.74 105.19 103.87 2kpw n GLY 40 Ca -0.02 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 2kpw n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kpw s GLY 41 N 0.00 1.36 0.18 -0.02 0.00 -1.26 -3.05 107.32 104.52 2kpw s GLY 41 Ca 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.25 2kpw s GLY 41 CO 0.00 0.93 0.01 -0.98 0.00 0.00 0.00 173.10 173.06 2kpw s TRP 42 N 1.34 1.22 -0.19 1.90 0.52 -1.26 -0.38 118.94 122.09 2kpw s TRP 42 Ca -0.04 -1.04 -0.05 0.00 0.02 0.00 0.00 56.10 54.98 2kpw s TRP 42 Cb -0.19 -0.69 0.09 0.00 -1.15 0.00 0.00 33.47 31.53 2kpw s TRP 42 CO -0.07 -0.24 0.36 -2.00 0.02 0.00 0.00 176.95 175.02 2kpw s GLU 43 N -3.93 0.28 -0.31 4.98 2.12 0.79 -0.84 118.70 121.79 2kpw s GLU 43 Ca 0.25 0.80 -0.19 0.00 0.36 0.00 0.00 54.97 56.19 2kpw s GLU 43 Cb 0.06 -0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 2kpw s GLU 43 CO 0.05 -0.38 0.57 1.41 -0.54 0.00 0.00 175.26 176.36 2kpw s MET 44 N 2.53 3.87 -0.47 4.30 -2.45 0.01 -1.22 119.30 125.87 2kpw s MET 44 Ca 0.03 0.18 -0.12 0.00 -1.25 0.00 0.00 55.69 54.52 2kpw s MET 44 Cb -0.13 -3.73 0.10 0.00 1.25 0.00 0.00 34.83 32.32 2kpw s MET 44 CO -0.12 -0.53 0.37 0.42 1.05 0.00 0.00 175.02 176.20 2kpw s ILE 45 N 2.47 4.69 -0.25 10.11 1.01 -0.06 0.09 121.20 139.26 2kpw s ILE 45 Ca 0.22 -1.44 -0.20 0.00 0.00 0.00 0.00 60.65 59.24 2kpw s ILE 45 Cb -0.15 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2kpw s ILE 45 CO 0.12 -0.67 0.60 -0.60 0.00 0.00 0.00 174.94 174.38 2kpw s ARG 46 N 1.50 4.11 -0.32 2.79 3.52 0.10 -0.79 118.95 129.86 2kpw s ARG 46 Ca 0.04 0.49 -0.09 0.00 -0.13 0.00 0.00 55.73 56.05 2kpw s ARG 46 Cb -0.26 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.50 2kpw s ARG 46 CO 0.03 -0.38 0.13 0.15 -0.81 0.00 0.00 175.30 174.42 2kpw s LYS 47 N 2.38 3.09 -0.11 5.12 1.02 -0.00 -1.60 119.74 129.64 2kpw s LYS 47 Ca 0.25 -0.88 -0.09 0.00 0.02 0.00 0.00 55.97 55.28 2kpw s LYS 47 Cb -0.16 -3.51 0.03 0.00 -0.52 0.00 0.00 37.83 33.67 2kpw s LYS 47 CO 0.09 -0.50 0.27 -1.50 -0.92 0.00 0.00 175.35 172.79 2kpw s ILE 48 N 1.54 -0.01 -1.45 2.17 -1.16 -0.55 -2.06 121.20 119.68 2kpw s ILE 48 Ca 0.03 0.03 -0.08 0.00 -0.51 0.00 0.00 60.65 60.12 2kpw s ILE 48 Cb -0.18 -0.39 0.04 0.00 0.61 0.00 0.00 42.46 42.54 2kpw s ILE 48 CO 0.05 0.01 0.68 0.61 -2.81 0.00 0.00 174.94 173.48 2kpw n GLY 49 N 3.20 -0.51 3.70 1.50 0.00 -1.26 -1.32 105.19 110.50 2kpw n GLY 49 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kpw n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kpw n ASP 50 N -2.54 0.00 -4.96 1.61 2.03 -1.26 -4.98 116.55 106.45 2kpw n ASP 50 Ca -0.04 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.06 2kpw n ASP 50 Cb 0.57 -1.02 0.01 0.00 -0.72 0.00 0.00 41.12 39.96 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kpw s THR 51 N -2.31 2.47 0.03 5.18 -1.32 -0.44 -5.15 115.64 114.11 2kpw s THR 51 Ca 0.00 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.30 2kpw s THR 51 Cb 0.00 -2.65 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 2kpw s THR 51 CO 0.00 0.00 -0.04 -0.94 -2.21 0.00 0.00 174.62 171.43 2kpw s SER 52 N -4.35 0.35 -0.14 8.08 1.04 -1.26 -1.49 113.70 115.93 2kpw s SER 52 Ca 0.51 -0.53 -0.08 0.00 0.48 0.00 0.00 55.95 56.33 2kpw s SER 52 Cb -0.06 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.21 2kpw s SER 52 CO 0.31 -0.30 0.35 0.54 0.98 0.00 0.00 173.24 175.12 2kpw s VAL 53 N -1.56 -0.03 0.06 5.02 0.11 -0.63 -5.00 120.40 118.37 2kpw s VAL 53 Ca -0.14 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2kpw s VAL 53 Cb -0.09 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2kpw s VAL 53 CO -0.01 0.05 0.07 -0.94 -3.33 0.00 0.00 175.10 170.94 2kpw s SER 54 N 1.31 5.53 -0.20 3.54 1.04 -1.26 -0.72 113.70 122.93 2kpw s SER 54 Ca -0.09 0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 2kpw s SER 54 Cb -0.09 -1.50 0.05 0.00 0.10 0.00 0.00 66.02 64.58 2kpw s SER 54 CO -0.11 0.20 -0.04 -0.47 0.98 0.00 0.00 173.24 173.81 2kpw s TYR 55 N -1.33 1.86 -0.13 5.02 5.04 0.11 -4.96 117.35 122.96 2kpw s TYR 55 Ca 0.27 -1.32 -0.25 0.00 -2.44 0.00 0.00 57.07 53.34 2kpw s TYR 55 Cb -0.12 -1.37 -0.02 0.00 0.35 0.00 0.00 41.96 40.80 2kpw s TYR 55 CO 0.20 -0.68 0.78 0.21 -1.34 0.00 0.00 175.55 174.72 2kpw s LYS 56 N 1.58 4.34 0.67 4.97 2.20 -1.26 -0.81 119.74 131.43 2kpw s LYS 56 Ca -0.02 0.96 -0.06 0.00 -0.36 0.00 0.00 55.97 56.48 2kpw s LYS 56 Cb -0.17 -3.53 0.05 0.00 -1.51 0.00 0.00 37.83 32.67 2kpw s LYS 56 CO -0.07 -0.19 0.98 0.71 -0.36 0.00 0.00 175.35 176.42 2kpw s TYR 57 N 1.68 2.98 0.04 4.03 1.51 -0.02 -4.99 117.35 122.58 2kpw s TYR 57 Ca 0.38 0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 56.89 2kpw s TYR 57 Cb -0.17 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.56 2kpw s TYR 57 CO 0.15 -1.27 -0.03 -0.08 -1.11 0.00 0.00 175.55 173.21 2kpw s THR 58 N -3.17 0.20 -0.54 -0.71 -1.32 -1.26 -4.42 115.64 104.41 2kpw s THR 58 Ca 0.59 -1.63 0.04 0.00 -1.21 0.00 0.00 61.69 59.48 2kpw s THR 58 Cb -0.11 -1.27 0.30 0.00 -1.51 0.00 0.00 72.50 69.91 2kpw s THR 58 CO 0.45 -0.90 1.10 -1.54 -2.21 0.00 0.00 174.62 171.52 2kpw n SER 59 N 0.41 2.97 0.00 8.08 3.41 -1.17 -4.25 113.62 123.07 2kpw n SER 59 Ca -0.16 -2.44 0.07 0.00 -0.26 0.00 0.00 58.87 56.08 2kpw n SER 59 Cb 0.60 -0.59 0.42 0.00 -0.26 0.00 0.00 64.21 64.38 2kpw n SER 59 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2kpw n ARG 60 N 0.12 0.37 -3.71 4.33 1.85 -1.26 -4.69 116.66 113.67 2kpw n ARG 60 Ca 0.15 0.06 -0.11 0.00 -1.00 0.00 0.00 57.85 56.94 2kpw n ARG 60 Cb 0.72 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.57 2kpw n ARG 60 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2kpw s TYR 61 N -2.22 -0.13 -0.22 2.89 1.13 -1.26 -5.07 117.35 112.46 2kpw s TYR 61 Ca 0.19 -0.07 -0.08 0.00 -1.41 0.00 0.00 57.07 55.70 2kpw s TYR 61 Cb 0.10 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 2kpw s TYR 61 CO 0.19 -0.58 0.09 0.08 -2.51 0.00 0.00 175.55 172.83 2kpw s VAL 62 N -3.05 4.76 -0.47 -3.49 1.01 -1.26 -2.37 120.40 115.53 2kpw s VAL 62 Ca -0.02 -0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 2kpw s VAL 62 Cb 0.01 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.22 2kpw s VAL 62 CO -0.07 0.38 0.97 -0.76 0.00 0.00 0.00 175.10 175.62 2kpw s LEU 63 N 1.05 3.93 0.31 3.92 2.01 0.92 -4.87 118.68 125.94 2kpw s LEU 63 Ca 0.05 0.17 -0.25 0.00 0.01 0.00 0.00 54.13 54.10 2kpw s LEU 63 Cb -0.14 -3.25 -0.10 0.00 0.01 0.00 0.00 46.19 42.71 2kpw s LEU 63 CO 0.03 -1.10 0.92 -0.54 1.01 0.00 0.00 176.35 176.67 2kpw s LYS 64 N 3.91 4.53 -0.18 1.70 1.02 -1.26 -1.06 119.74 128.40 2kpw s LYS 64 Ca 0.39 1.26 -0.36 0.00 0.02 0.00 0.00 55.97 57.28 2kpw s LYS 64 Cb -0.10 -2.80 -0.13 0.00 -0.52 0.00 0.00 37.83 34.29 2kpw s LYS 64 CO 0.27 0.29 1.85 0.00 -0.92 0.00 0.00 175.35 176.84 2kpw n ALA 65 N 0.56 0.48 0.00 5.17 0.00 -1.26 -1.16 120.51 124.30 2kpw n ALA 65 Ca 0.01 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2kpw n ALA 65 Cb 0.50 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2kpw n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kpw n GLY 66 N 4.44 2.60 3.77 0.00 0.00 -0.94 -5.03 105.19 110.03 2kpw n GLY 66 Ca 0.25 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 2kpw n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kpw s GLN 67 N 0.00 4.27 0.16 1.61 0.74 -0.31 -4.59 119.66 121.55 2kpw s GLN 67 Ca 0.00 2.28 0.07 0.00 0.05 0.00 0.00 55.36 57.76 2kpw s GLN 67 Cb 0.00 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.05 2kpw s GLN 67 CO 0.00 -0.28 -0.03 0.95 -0.55 0.00 0.00 175.29 175.38 2kpw s THR 68 N -1.15 3.62 -0.18 -0.34 -4.23 -1.26 -3.27 115.64 108.82 2kpw s THR 68 Ca 0.50 -1.41 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2kpw s THR 68 Cb -0.41 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.63 2kpw s THR 68 CO 0.55 -0.07 -0.11 0.54 -0.54 0.00 0.00 174.62 174.99 2kpw s VAL 69 N -1.64 2.95 -0.21 2.29 0.11 0.00 -4.97 120.40 118.94 2kpw s VAL 69 Ca 0.26 -0.66 -0.16 0.00 -2.93 0.00 0.00 61.98 58.50 2kpw s VAL 69 Cb -0.10 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 2kpw s VAL 69 CO 0.17 0.48 0.41 -0.89 -3.33 0.00 0.00 175.10 171.95 2kpw s THR 70 N 1.07 5.18 -0.69 5.04 2.01 -1.26 -0.82 115.64 126.18 2kpw s THR 70 Ca -0.00 0.73 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 2kpw s THR 70 Cb -0.15 -3.74 0.06 0.00 0.01 0.00 0.00 72.50 68.69 2kpw s THR 70 CO -0.02 0.23 1.04 -0.63 -0.69 0.00 0.00 174.62 174.55 2kpw s ILE 71 N 1.43 4.19 0.77 1.82 -1.09 0.71 -2.01 121.20 127.02 2kpw s ILE 71 Ca 0.19 -0.22 -0.09 0.00 -2.23 0.00 0.00 60.65 58.30 2kpw s ILE 71 Cb -0.15 -4.74 0.17 0.00 -1.58 0.00 0.00 42.46 36.16 2kpw s ILE 71 CO 0.08 -1.56 1.05 0.79 -1.23 0.00 0.00 174.94 174.08 2kpw n TRP 72 N 8.07 -3.65 -3.53 3.97 7.02 0.49 -1.63 117.44 128.20 2kpw n TRP 72 Ca -0.01 -1.20 -0.21 0.00 -1.02 0.00 0.00 57.50 55.06 2kpw n TRP 72 Cb 0.46 -0.80 -0.03 0.00 -2.42 0.00 0.00 31.31 28.53 2kpw n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2kpw s ALA 73 N -3.68 4.12 0.46 6.99 0.00 -1.26 -0.11 121.76 128.29 2kpw s ALA 73 Ca 0.62 -1.86 0.23 0.00 0.00 0.00 0.00 51.96 50.95 2kpw s ALA 73 Cb -0.02 -1.05 1.23 0.00 0.00 0.00 0.00 23.12 23.28 2kpw s ALA 73 CO 0.43 -0.25 1.87 0.00 0.00 0.00 0.00 175.76 177.81 2kpw h ALA 74 N 0.97 2.43 -0.85 0.00 0.00 -1.06 0.99 119.26 121.75 2kpw h ALA 74 Ca -0.41 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.03 2kpw h ALA 74 Cb 1.27 0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.81 2kpw h ALA 74 CO 0.56 -0.71 0.61 0.09 0.00 0.00 0.00 179.25 179.80 2kpw n ASN 75 N -4.43 4.57 -0.20 0.00 4.13 -1.26 -4.70 115.26 113.36 2kpw n ASN 75 Ca 0.19 -3.43 0.00 0.00 1.68 0.00 0.00 54.58 53.03 2kpw n ASN 75 Cb 0.79 -0.84 0.09 0.00 -1.54 0.00 0.00 39.78 38.28 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kpw h ALA 76 N 1.32 0.56 0.00 5.41 0.00 -1.17 -3.47 119.26 121.91 2kpw h ALA 76 Ca 0.54 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.65 2kpw h ALA 76 Cb 2.17 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.31 2kpw h ALA 76 CO 1.05 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2kpw n GLY 77 N -1.37 2.45 0.59 0.00 0.00 -1.26 -4.98 105.19 100.61 2kpw n GLY 77 Ca 0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 2kpw n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kpw n VAL 78 N 0.00 0.00 -2.27 1.61 0.24 -1.26 -5.02 118.33 111.62 2kpw n VAL 78 Ca 0.00 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 61.82 2kpw n VAL 78 Cb 0.00 -1.51 -0.01 0.00 -1.47 0.00 0.00 33.84 30.85 2kpw n VAL 78 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2kpw s THR 79 N -1.40 3.15 -2.00 3.34 -4.23 -1.26 -4.90 115.64 108.34 2kpw s THR 79 Ca 0.12 0.82 0.12 0.00 -1.18 0.00 0.00 61.69 61.57 2kpw s THR 79 Cb -0.01 -3.40 0.33 0.00 1.34 0.00 0.00 72.50 70.77 2kpw s THR 79 CO 0.09 -0.05 1.13 0.00 -0.54 0.00 0.00 174.62 175.24 2kpw n ALA 80 N -0.68 2.06 -2.85 3.99 0.00 -1.26 -4.01 120.51 117.76 2kpw n ALA 80 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 2kpw n ALA 80 Cb 0.49 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.76 2kpw n ALA 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kpw s SER 81 N -1.87 -0.78 0.20 0.00 0.15 -1.26 -4.81 113.70 105.33 2kpw s SER 81 Ca 0.17 -0.60 -0.11 0.00 0.70 0.00 0.00 55.95 56.11 2kpw s SER 81 Cb 0.08 1.00 0.24 0.00 -1.71 0.00 0.00 66.02 65.63 2kpw s SER 81 CO 0.13 -0.06 1.72 -0.65 1.20 0.00 0.00 173.24 175.58 2kpw h PRO 82 N 5.43 0.26 -0.60 5.44 0.11 -1.77 -3.46 132.00 137.41 2kpw h PRO 82 Ca 0.01 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.01 2kpw h PRO 82 Cb 1.19 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2kpw h PRO 82 CO -0.03 0.17 0.10 -0.35 -0.21 0.00 0.00 178.00 177.69 2kpw n PRO 83 N -5.10 4.18 -0.32 1.05 -0.04 -1.26 -4.97 135.00 128.54 2kpw n PRO 83 Ca 0.07 -3.11 0.03 0.00 -0.04 0.00 0.00 63.50 60.45 2kpw n PRO 83 Cb 0.28 -2.20 0.18 0.00 -0.04 0.00 0.00 33.50 31.72 2kpw n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kpw h THR 84 N 3.18 0.96 -2.21 0.52 1.03 -1.98 -3.43 112.91 111.00 2kpw h THR 84 Ca 0.11 -0.32 -0.45 0.00 -0.01 0.00 0.00 66.41 65.74 2kpw h THR 84 Cb 2.06 -0.04 0.01 0.00 -1.07 0.00 0.00 68.15 69.11 2kpw h THR 84 CO 0.56 0.17 -0.25 -1.81 -0.01 0.00 0.00 175.52 174.17 2kpw s ASP 85 N -5.70 5.96 -0.14 0.00 1.01 -1.26 -4.67 116.67 111.87 2kpw s ASP 85 Ca -0.12 0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.18 2kpw s ASP 85 Cb 0.20 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.71 2kpw s ASP 85 CO 0.79 -0.50 -0.19 -0.76 0.21 0.00 0.00 175.17 174.73 2kpw s LEU 86 N -4.30 2.30 -0.16 1.23 1.43 -0.85 -4.42 118.68 113.92 2kpw s LEU 86 Ca 0.45 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 2kpw s LEU 86 Cb -0.10 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2kpw s LEU 86 CO 0.34 0.10 0.49 -0.63 0.23 0.00 0.00 176.35 176.88 2kpw s ILE 87 N 0.72 5.15 -1.16 -0.59 1.09 -1.26 -0.38 121.20 124.77 2kpw s ILE 87 Ca -0.08 0.95 -0.23 0.00 -1.10 0.00 0.00 60.65 60.19 2kpw s ILE 87 Cb -0.16 -3.82 -0.10 0.00 -1.06 0.00 0.00 42.46 37.32 2kpw s ILE 87 CO 0.01 0.26 1.93 1.87 -0.10 0.00 0.00 174.94 178.91 2kpw n TRP 88 N 4.17 2.64 0.30 3.97 -0.00 0.84 -4.76 117.44 124.61 2kpw n TRP 88 Ca -0.06 -1.46 0.19 0.00 -0.00 0.00 0.00 57.50 56.17 2kpw n TRP 88 Cb 0.51 -2.56 1.02 0.00 -0.00 0.00 0.00 31.31 30.28 2kpw n TRP 88 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 2kpw h LYS 89 N 9.61 0.00 0.00 5.87 1.57 -1.91 -1.90 116.57 129.81 2kpw h LYS 89 Ca 0.23 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2kpw h LYS 89 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 2kpw h LYS 89 CO 1.27 0.00 -0.27 -0.91 -0.57 0.00 0.00 179.45 178.97 2kpw h ASN 90 N 0.00 0.00 -4.99 0.86 4.21 -1.94 -3.47 115.58 110.26 2kpw h ASN 90 Ca 0.02 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.39 2kpw h ASN 90 Cb 0.21 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.20 2kpw h ASN 90 CO -0.00 0.27 -0.42 -1.58 -1.29 0.00 0.00 177.43 174.41 2kpw s GLN 91 N -3.42 0.54 0.25 0.81 0.74 -0.72 -5.08 119.66 112.78 2kpw s GLN 91 Ca 0.02 -0.34 -0.04 0.00 0.05 0.00 0.00 55.36 55.05 2kpw s GLN 91 Cb 0.09 0.23 0.06 0.00 1.10 0.00 0.00 33.01 34.49 2kpw s GLN 91 CO 0.67 -0.14 0.28 0.09 -0.55 0.00 0.00 175.29 175.64 2kpw n ASN 92 N 1.38 -0.57 -4.77 6.67 5.03 -1.26 -1.23 115.26 120.51 2kpw n ASN 92 Ca -0.22 -0.90 -0.39 0.00 0.87 0.00 0.00 54.58 53.94 2kpw n ASN 92 Cb 0.56 -0.23 -0.04 0.00 -1.02 0.00 0.00 39.78 39.04 2kpw n ASN 92 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2kpw s SER 93 N -2.14 7.09 -0.33 6.41 0.15 -1.26 -4.53 113.70 119.10 2kpw s SER 93 Ca 0.17 2.16 0.04 0.00 0.70 0.00 0.00 55.95 59.02 2kpw s SER 93 Cb -0.01 -2.61 0.09 0.00 -1.71 0.00 0.00 66.02 61.78 2kpw s SER 93 CO 0.12 -0.26 0.03 -1.66 1.20 0.00 0.00 173.24 172.67 2kpw s TRP 94 N -1.35 3.62 -0.12 3.44 -2.14 -1.26 -5.07 118.94 116.06 2kpw s TRP 94 Ca 0.49 -2.87 -0.03 0.00 2.66 0.00 0.00 56.10 56.35 2kpw s TRP 94 Cb -0.28 -2.75 -0.03 0.00 -3.10 0.00 0.00 33.47 27.31 2kpw s TRP 94 CO 0.35 -0.94 -0.00 0.20 -2.66 0.00 0.00 176.95 173.90 2kpw s GLY 95 N 0.95 1.82 0.00 3.67 0.00 -1.26 -4.07 107.32 108.43 2kpw s GLY 95 Ca 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2kpw s GLY 95 CO -0.08 -0.34 0.00 -0.37 0.00 0.00 0.00 173.10 172.30 2kpw n THR 96 N 2.73 0.00 0.00 0.90 5.66 -1.11 -5.01 114.28 117.45 2kpw n THR 96 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2kpw n THR 96 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 2kpw n THR 96 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kpw n GLY 97 N -1.03 2.28 3.69 1.09 0.00 -1.22 -5.04 105.19 104.96 2kpw n GLY 97 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2kpw n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kpw n GLU 98 N -2.00 2.35 -1.67 1.61 -0.58 -1.26 -4.87 120.64 114.21 2kpw n GLU 98 Ca 0.00 0.84 -0.43 0.00 -0.42 0.00 0.00 57.16 57.16 2kpw n GLU 98 Cb 0.00 -2.61 -0.03 0.00 -0.57 0.00 0.00 31.44 28.23 2kpw n GLU 98 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kpw s ASP 99 N 0.75 5.93 -0.12 1.62 1.01 -1.26 -4.97 116.67 119.63 2kpw s ASP 99 Ca 0.73 2.18 -0.04 0.00 0.71 0.00 0.00 52.55 56.14 2kpw s ASP 99 Cb -0.60 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 40.77 2kpw s ASP 99 CO 0.41 -1.54 0.02 0.54 0.21 0.00 0.00 175.17 174.81 2kpw s VAL 100 N 6.50 4.44 -0.10 -1.27 0.11 -1.26 -4.84 120.40 123.98 2kpw s VAL 100 Ca 0.93 -0.18 0.02 0.00 -2.93 0.00 0.00 61.98 59.82 2kpw s VAL 100 Cb -0.36 -2.91 -0.01 0.00 -1.53 0.00 0.00 36.38 31.56 2kpw s VAL 100 CO 0.37 0.57 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.79 2kpw s LYS 101 N -0.50 3.07 0.00 1.54 2.20 -0.87 -1.53 119.74 123.64 2kpw s LYS 101 Ca 0.09 -0.75 0.05 0.00 -0.36 0.00 0.00 55.97 55.01 2kpw s LYS 101 Cb -0.12 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.71 2kpw s LYS 101 CO 0.02 0.30 -0.17 0.54 -0.36 0.00 0.00 175.35 175.69 2kpw s VAL 102 N 0.09 1.33 -0.07 4.02 0.11 0.51 -0.82 120.40 125.56 2kpw s VAL 102 Ca -0.07 -0.82 -0.01 0.00 -2.93 0.00 0.00 61.98 58.15 2kpw s VAL 102 Cb -0.15 -1.13 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 2kpw s VAL 102 CO 0.05 0.29 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.48 2kpw s ILE 103 N -0.51 4.22 -0.28 7.04 -1.09 0.03 -1.75 121.20 128.86 2kpw s ILE 103 Ca 0.06 -0.32 -0.05 0.00 -2.23 0.00 0.00 60.65 58.10 2kpw s ILE 103 Cb -0.07 -2.78 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 2kpw s ILE 103 CO -0.00 0.57 0.04 -0.76 -1.23 0.00 0.00 174.94 173.56 2kpw s LEU 104 N -0.97 3.67 -0.08 2.97 1.43 -0.28 -0.88 118.68 124.54 2kpw s LEU 104 Ca 0.14 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 2kpw s LEU 104 Cb -0.11 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2kpw s LEU 104 CO 0.03 -0.17 0.02 -0.54 0.23 0.00 0.00 176.35 175.92 2kpw s LYS 105 N 1.45 3.02 0.10 1.70 1.02 -0.35 -3.07 119.74 123.61 2kpw s LYS 105 Ca 0.02 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.61 2kpw s LYS 105 Cb -0.17 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.33 2kpw s LYS 105 CO 0.01 0.71 0.14 0.09 -0.92 0.00 0.00 175.35 175.37 2kpw n ASN 106 N 2.07 0.10 -0.20 2.83 4.13 -0.07 -0.15 115.26 123.98 2kpw n ASN 106 Ca -0.18 -1.11 0.05 0.00 1.68 0.00 0.00 54.58 55.02 2kpw n ASN 106 Cb 0.54 -0.10 0.32 0.00 -1.54 0.00 0.00 39.78 39.00 2kpw n ASN 106 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2kpw h SER 107 N -0.13 0.72 -0.02 6.41 0.87 -1.05 0.11 113.55 120.46 2kpw h SER 107 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2kpw h SER 107 Cb 0.15 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2kpw h SER 107 CO 0.04 0.48 0.00 0.00 -0.53 0.00 0.00 176.83 176.82 2kpw n GLN 108 N -4.47 1.13 -0.87 2.24 6.02 -1.26 -4.87 117.38 115.29 2kpw n GLN 108 Ca 0.11 -0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2kpw n GLN 108 Cb 0.19 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.09 2kpw n GLN 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kpw n GLY 109 N 0.90 1.23 3.77 1.08 0.00 0.03 -5.02 105.19 107.17 2kpw n GLY 109 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2kpw n GLY 109 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kpw s GLU 110 N -0.02 3.10 -0.28 1.61 -1.05 -1.26 -4.58 118.70 116.23 2kpw s GLU 110 Ca 0.00 1.62 -0.10 0.00 -0.15 0.00 0.00 54.97 56.33 2kpw s GLU 110 Cb 0.00 -1.97 -0.04 0.00 -0.44 0.00 0.00 34.13 31.68 2kpw s GLU 110 CO 0.00 -1.05 0.16 -2.00 0.95 0.00 0.00 175.26 173.32 2kpw s GLU 111 N -3.49 3.79 -0.02 -4.83 2.12 -1.26 -0.89 118.70 114.12 2kpw s GLU 111 Ca 0.73 -0.42 0.15 0.00 0.36 0.00 0.00 54.97 55.79 2kpw s GLU 111 Cb -0.25 -3.59 -0.22 0.00 0.26 0.00 0.00 34.13 30.34 2kpw s GLU 111 CO 0.32 -0.22 0.36 1.33 -0.54 0.00 0.00 175.26 176.51 2kpw n VAL 112 N 5.03 0.00 -3.67 3.70 0.24 -1.17 -5.03 118.33 117.41 2kpw n VAL 112 Ca -0.14 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.70 2kpw n VAL 112 Cb 0.51 0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 33.07 2kpw n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kpw s ALA 113 N -2.95 -1.33 -0.10 2.33 0.00 -1.26 -5.07 121.76 113.39 2kpw s ALA 113 Ca -0.04 1.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 2kpw s ALA 113 Cb 0.10 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.63 2kpw s ALA 113 CO 0.61 -0.27 0.19 1.14 0.00 0.00 0.00 175.76 177.44 2kpw s GLN 114 N -0.14 0.08 0.05 0.00 -2.07 -1.26 -1.12 119.66 115.20 2kpw s GLN 114 Ca -0.03 0.59 -0.06 0.00 -1.82 0.00 0.00 55.36 54.03 2kpw s GLN 114 Cb -0.03 -0.18 -0.01 0.00 -1.09 0.00 0.00 33.01 31.69 2kpw s GLN 114 CO 0.03 -0.27 0.12 0.50 -1.32 0.00 0.00 175.29 174.34 2kpw s ARG 115 N 2.11 0.67 0.34 9.60 3.52 -0.71 -4.99 118.95 129.48 2kpw s ARG 115 Ca 0.00 -0.84 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 2kpw s ARG 115 Cb -0.12 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2kpw s ARG 115 CO -0.07 -0.18 0.14 -1.54 -0.81 0.00 0.00 175.30 172.85 2kpw s SER 116 N -2.40 2.04 1.01 -2.12 1.04 -1.26 -0.37 113.70 111.65 2kpw s SER 116 Ca -0.01 -1.59 -0.11 0.00 0.48 0.00 0.00 55.95 54.72 2kpw s SER 116 Cb 0.02 0.38 0.15 0.00 0.10 0.00 0.00 66.02 66.67 2kpw s SER 116 CO -0.07 -0.88 0.85 0.35 0.98 0.00 0.00 173.24 174.48 2kpw n THR 117 N -0.70 0.00 -4.25 2.02 -2.24 -0.58 -4.87 114.28 103.65 2kpw n THR 117 Ca -0.01 -0.61 -0.21 0.00 -2.27 0.00 0.00 64.05 60.95 2kpw n THR 117 Cb 0.65 -1.64 -0.16 0.00 -2.10 0.00 0.00 70.33 67.08 2kpw n THR 117 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kpw s VAL 118 N -2.84 0.64 -0.63 2.28 0.11 -1.26 -4.86 120.40 113.84 2kpw s VAL 118 Ca 0.49 -0.19 -0.26 0.00 -2.93 0.00 0.00 61.98 59.09 2kpw s VAL 118 Cb -0.02 -0.64 -0.10 0.00 -1.53 0.00 0.00 36.38 34.09 2kpw s VAL 118 CO 0.35 0.25 2.42 2.22 -3.33 0.00 0.00 175.10 177.00 2kpw n PHE 119 N 3.98 1.30 -4.26 1.54 -1.74 -1.26 -4.93 117.46 112.10 2kpw n PHE 119 Ca -0.25 0.06 -0.22 0.00 -0.56 0.00 0.00 57.45 56.48 2kpw n PHE 119 Cb 0.51 -2.62 -0.12 0.00 1.52 0.00 0.00 39.48 38.77 2kpw n PHE 119 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2kpw s LYS 120 N 8.58 1.05 -0.46 3.97 -0.14 -1.26 -5.11 119.74 126.36 2kpw s LYS 120 Ca 0.96 -1.13 0.04 0.00 -1.36 0.00 0.00 55.97 54.48 2kpw s LYS 120 Cb -0.17 -1.22 0.12 0.00 -1.68 0.00 0.00 37.83 34.89 2kpw s LYS 120 CO 0.19 0.28 0.20 0.99 -0.76 0.00 0.00 175.35 176.25 2kpw s THR 121 N -1.31 2.33 -2.38 2.17 2.01 -1.26 -5.13 115.64 112.08 2kpw s THR 121 Ca 0.05 -2.95 0.29 0.00 0.31 0.00 0.00 61.69 59.39 2kpw s THR 121 Cb -0.09 -2.64 0.64 0.00 0.01 0.00 0.00 72.50 70.41 2kpw s THR 121 CO 0.04 -0.76 1.86 0.35 -0.69 0.00 0.00 174.62 175.42