#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 1.30 3.72 3.17 0.00 -1.26 -4.87 105.19 107.25 2kpw n GLY 2 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.63 0.30 1.61 0.09 -1.26 -5.03 115.29 114.63 2kpw s HIS 3 Ca 0.00 1.60 -0.03 0.00 -0.00 0.00 0.00 55.06 56.64 2kpw s HIS 3 Cb 0.00 -3.21 0.01 0.00 -0.00 0.00 0.00 32.58 29.38 2kpw s HIS 3 CO 0.00 -0.40 0.43 -2.39 -0.00 0.00 0.00 174.74 172.38 2kpw n HIS 4 N 3.30 -1.37 -4.32 1.40 -0.00 -1.26 -5.19 115.22 107.77 2kpw n HIS 4 Ca 0.05 -1.93 -0.29 0.00 -0.00 0.00 0.00 57.72 55.55 2kpw n HIS 4 Cb 0.48 0.49 -0.05 0.00 -0.00 0.00 0.00 29.99 30.92 2kpw n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpw s HIS 5 N -3.27 1.87 0.10 -1.40 4.02 -1.26 -5.17 115.29 110.18 2kpw s HIS 5 Ca 0.23 -0.86 -0.19 0.00 1.02 0.00 0.00 55.06 55.26 2kpw s HIS 5 Cb -0.01 -1.78 0.05 0.00 -1.02 0.00 0.00 32.58 29.81 2kpw s HIS 5 CO 0.17 -0.06 0.47 -3.38 1.02 0.00 0.00 174.74 172.95 2kpw s HIS 6 N -2.80 -0.32 0.79 1.40 0.00 -1.26 -5.17 115.29 107.93 2kpw s HIS 6 Ca 0.22 0.16 -0.11 0.00 -3.00 0.00 0.00 55.06 52.33 2kpw s HIS 6 Cb 0.01 0.32 0.07 0.00 -4.00 0.00 0.00 32.58 28.98 2kpw s HIS 6 CO 0.13 -0.69 1.09 -1.01 -1.00 0.00 0.00 174.74 173.26 2kpw s HIS 7 N -3.26 2.62 -0.23 0.38 4.02 -1.26 -5.07 115.29 112.49 2kpw s HIS 7 Ca -0.01 1.42 -0.03 0.00 1.02 0.00 0.00 55.06 57.46 2kpw s HIS 7 Cb 0.00 -3.06 0.11 0.00 -1.02 0.00 0.00 32.58 28.62 2kpw s HIS 7 CO -0.08 -1.86 0.29 -3.38 1.02 0.00 0.00 174.74 170.73 2kpw s HIS 8 N -2.96 -0.52 0.23 1.40 0.00 -1.26 -5.16 115.29 107.02 2kpw s HIS 8 Ca 0.61 0.44 0.11 0.00 -3.00 0.00 0.00 55.06 53.22 2kpw s HIS 8 Cb -0.17 -0.21 -0.05 0.00 -4.00 0.00 0.00 32.58 28.16 2kpw s HIS 8 CO 0.56 -0.68 -0.15 -1.12 -1.00 0.00 0.00 174.74 172.35 2kpw s SER 9 N 2.42 3.89 0.46 7.38 0.01 -1.26 -5.16 113.70 121.44 2kpw s SER 9 Ca 0.09 -0.80 0.03 0.00 1.31 0.00 0.00 55.95 56.58 2kpw s SER 9 Cb -0.15 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 2kpw s SER 9 CO -0.15 0.07 0.08 -1.00 0.41 0.00 0.00 173.24 172.65 2kpw s HIS 10 N -2.03 1.81 -0.08 2.43 4.02 -1.26 -5.16 115.29 115.02 2kpw s HIS 10 Ca 0.26 -1.15 0.03 0.00 1.02 0.00 0.00 55.06 55.22 2kpw s HIS 10 Cb -0.07 -1.36 0.01 0.00 -1.02 0.00 0.00 32.58 30.14 2kpw s HIS 10 CO 0.14 -0.07 -0.17 -1.64 1.02 0.00 0.00 174.74 174.02 2kpw s MET 11 N -3.78 2.25 0.45 1.40 1.00 -1.26 -5.03 119.30 114.33 2kpw s MET 11 Ca 0.15 -0.60 0.24 0.00 0.00 0.00 0.00 55.69 55.48 2kpw s MET 11 Cb 0.02 -1.78 0.93 0.00 0.00 0.00 0.00 34.83 33.99 2kpw s MET 11 CO 0.09 0.07 1.83 1.79 0.00 0.00 0.00 175.02 178.80 2kpw h THR 12 N 5.87 0.52 0.00 2.05 1.35 -2.01 -3.44 112.91 117.24 2kpw h THR 12 Ca -0.27 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 2kpw h THR 12 Cb 1.20 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2kpw h THR 12 CO 0.47 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.56 2kpw n GLY 13 N 0.17 2.13 2.67 5.82 0.00 -1.26 -4.91 105.19 109.81 2kpw n GLY 13 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 2kpw n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kpw s ASN 14 N -0.00 3.60 0.04 1.61 2.47 -1.26 -5.05 114.94 116.35 2kpw s ASN 14 Ca 0.00 -2.36 0.07 0.00 0.42 0.00 0.00 52.86 50.99 2kpw s ASN 14 Cb 0.00 -0.89 -0.03 0.00 -1.45 0.00 0.00 41.25 38.88 2kpw s ASN 14 CO 0.00 -0.30 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.21 2kpw s VAL 15 N 0.72 2.78 0.09 -5.21 1.01 -1.26 -0.79 120.40 117.74 2kpw s VAL 15 Ca 0.16 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.99 2kpw s VAL 15 Cb -0.23 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2kpw s VAL 15 CO -0.04 0.33 -0.11 0.00 0.00 0.00 0.00 175.10 175.29 2kpw s ILE 17 N -2.29 4.19 -0.11 0.00 1.01 -1.26 -2.08 121.20 120.65 2kpw s ILE 17 Ca 0.04 1.26 -0.11 0.00 0.00 0.00 0.00 60.65 61.85 2kpw s ILE 17 Cb -0.04 -4.45 -0.10 0.00 0.01 0.00 0.00 42.46 37.88 2kpw s ILE 17 CO 0.00 -0.82 0.29 -0.08 0.00 0.00 0.00 174.94 174.34 2kpw h GLU 18 N 9.32 -0.01 -2.38 2.79 4.81 -1.58 -3.48 114.58 124.06 2kpw h GLU 18 Ca -0.24 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2kpw h GLU 18 Cb 1.07 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.20 2kpw h GLU 18 CO 1.10 0.36 -0.25 -2.00 -0.73 0.00 0.00 179.01 177.48 2kpw s GLU 19 N -1.83 0.44 0.08 1.92 2.12 -0.95 -5.04 118.70 115.44 2kpw s GLU 19 Ca -0.07 1.08 -0.19 0.00 0.36 0.00 0.00 54.97 56.15 2kpw s GLU 19 Cb -0.01 0.33 -0.07 0.00 0.26 0.00 0.00 34.13 34.64 2kpw s GLU 19 CO 0.26 -0.21 0.57 0.42 -0.54 0.00 0.00 175.26 175.77 2kpw s ILE 20 N 2.24 4.73 0.33 -3.70 1.01 -1.26 -1.44 121.20 123.12 2kpw s ILE 20 Ca -0.06 1.21 -0.27 0.00 0.00 0.00 0.00 60.65 61.53 2kpw s ILE 20 Cb -0.10 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 2kpw s ILE 20 CO -0.15 0.53 1.03 -0.62 0.00 0.00 0.00 174.94 175.73 2kpw s ASP 21 N -1.15 7.14 0.14 3.58 2.15 -0.37 -4.98 116.67 123.19 2kpw s ASP 21 Ca 0.30 2.06 0.15 0.00 0.43 0.00 0.00 52.55 55.49 2kpw s ASP 21 Cb -0.19 -2.60 -0.07 0.00 -0.30 0.00 0.00 42.92 39.76 2kpw s ASP 21 CO 0.19 -0.22 1.07 1.62 -0.17 0.00 0.00 175.17 177.67 2kpw h VAL 22 N 2.67 0.71 0.00 1.11 3.04 -1.98 -3.31 116.25 118.50 2kpw h VAL 22 Ca -0.47 -2.18 -0.02 0.00 -1.01 0.00 0.00 66.70 63.02 2kpw h VAL 22 Cb 1.21 2.23 -0.00 0.00 -2.01 0.00 0.00 31.29 32.72 2kpw h VAL 22 CO 0.65 0.41 -0.19 -0.78 -1.01 0.00 0.00 177.57 176.64 2kpw h ASP 23 N 0.00 0.00 0.00 3.17 3.58 -1.93 -3.47 116.42 117.77 2kpw h ASP 23 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2kpw h ASP 23 Cb 1.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.58 2kpw h ASP 23 CO 0.06 0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.14 2kpw n GLY 24 N 1.14 1.19 0.08 -0.78 0.00 -1.25 -4.52 105.19 101.05 2kpw n GLY 24 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.08 -2.93 1.61 1.57 -1.83 -3.22 116.57 111.85 2kpw h LYS 25 Ca 0.00 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2kpw h LYS 25 Cb 0.00 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2kpw h LYS 25 CO 0.00 1.05 0.28 -0.59 -0.57 0.00 0.00 179.45 179.62 2kpw s PHE 26 N -2.33 -0.07 -0.08 -1.35 -0.12 -1.26 -3.06 117.98 109.71 2kpw s PHE 26 Ca -0.18 -0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 56.25 2kpw s PHE 26 Cb -0.02 0.75 0.03 0.00 -0.63 0.00 0.00 43.02 43.15 2kpw s PHE 26 CO 0.73 -1.31 -0.02 0.42 -0.05 0.00 0.00 175.22 174.98 2kpw s ILE 27 N -3.27 0.56 -0.24 -4.49 1.01 -0.20 -1.23 121.20 113.33 2kpw s ILE 27 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.67 2kpw s ILE 27 Cb -0.05 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.71 2kpw s ILE 27 CO 0.08 0.28 0.14 -0.60 0.00 0.00 0.00 174.94 174.84 2kpw s ARG 28 N 1.74 3.96 0.45 2.79 3.52 -0.52 -0.41 118.95 130.49 2kpw s ARG 28 Ca 0.02 -0.32 0.07 0.00 -0.13 0.00 0.00 55.73 55.37 2kpw s ARG 28 Cb -0.13 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 2kpw s ARG 28 CO -0.05 -0.01 0.30 -0.51 -0.81 0.00 0.00 175.30 174.22 2kpw s LEU 29 N 1.24 3.08 -0.15 -0.88 1.02 0.04 -1.49 118.68 121.54 2kpw s LEU 29 Ca 0.07 -1.03 -0.12 0.00 0.02 0.00 0.00 54.13 53.06 2kpw s LEU 29 Cb -0.14 -1.55 0.04 0.00 0.02 0.00 0.00 46.19 44.55 2kpw s LEU 29 CO 0.06 -0.73 0.38 -0.75 0.02 0.00 0.00 176.35 175.32 2kpw s LYS 30 N -4.08 0.43 -0.35 1.70 2.20 -0.89 -0.78 119.74 117.97 2kpw s LYS 30 Ca 0.41 0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 56.30 2kpw s LYS 30 Cb -0.00 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 2kpw s LYS 30 CO 0.23 -0.07 1.16 1.21 -0.36 0.00 0.00 175.35 177.52 2kpw s ASN 31 N 0.42 6.78 -0.06 1.43 2.47 -0.47 -2.17 114.94 123.34 2kpw s ASN 31 Ca -0.02 0.96 0.18 0.00 0.42 0.00 0.00 52.86 54.41 2kpw s ASN 31 Cb -0.04 -2.54 0.62 0.00 -1.45 0.00 0.00 41.25 37.84 2kpw s ASN 31 CO -0.02 -1.03 1.53 0.35 -3.72 0.00 0.00 177.10 174.21 2kpw n THR 32 N 6.20 1.47 -1.72 -5.21 -2.24 0.03 -0.72 114.28 112.08 2kpw n THR 32 Ca 0.13 -1.15 -0.30 0.00 -2.27 0.00 0.00 64.05 60.46 2kpw n THR 32 Cb 0.47 0.28 0.07 0.00 -2.10 0.00 0.00 70.33 69.05 2kpw n THR 32 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kpw s SER 33 N -1.02 5.00 0.00 3.42 0.15 -1.16 -4.92 113.70 115.17 2kpw s SER 33 Ca 0.46 1.22 0.16 0.00 0.70 0.00 0.00 55.95 58.49 2kpw s SER 33 Cb 0.27 -1.99 0.68 0.00 -1.71 0.00 0.00 66.02 63.27 2kpw s SER 33 CO 0.25 -1.64 1.48 -0.62 1.20 0.00 0.00 173.24 173.91 2kpw n GLU 34 N -3.21 1.46 -3.87 5.44 1.02 -1.26 -4.30 120.64 115.93 2kpw n GLU 34 Ca 0.07 -0.70 -0.09 0.00 -0.02 0.00 0.00 57.16 56.42 2kpw n GLU 34 Cb 0.57 -1.30 -0.07 0.00 -0.02 0.00 0.00 31.44 30.61 2kpw n GLU 34 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2kpw s GLN 35 N -1.82 0.82 -0.13 3.49 0.74 -1.26 -4.97 119.66 116.52 2kpw s GLN 35 Ca 0.26 -0.97 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 2kpw s GLN 35 Cb 0.13 0.33 -0.05 0.00 1.10 0.00 0.00 33.01 34.52 2kpw s GLN 35 CO 0.20 -0.25 1.90 -0.51 -0.55 0.00 0.00 175.29 176.08 2kpw s ASP 36 N -2.85 6.14 0.01 6.67 1.01 -1.26 -3.96 116.67 122.44 2kpw s ASP 36 Ca 0.05 2.05 0.01 0.00 0.71 0.00 0.00 52.55 55.37 2kpw s ASP 36 Cb 0.05 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2kpw s ASP 36 CO -0.11 -1.39 0.05 -1.10 0.21 0.00 0.00 175.17 172.84 2kpw s GLN 37 N 5.08 2.93 -0.57 8.23 -1.52 0.69 -4.91 119.66 129.60 2kpw s GLN 37 Ca 0.85 -0.57 -0.27 0.00 -1.95 0.00 0.00 55.36 53.42 2kpw s GLN 37 Cb -0.33 -2.77 -0.00 0.00 -0.22 0.00 0.00 33.01 29.68 2kpw s GLN 37 CO 0.35 0.62 1.64 -2.14 -0.25 0.00 0.00 175.29 175.51 2kpw s PRO 38 N -1.82 3.02 0.54 2.91 0.02 -1.26 -0.90 135.00 137.51 2kpw s PRO 38 Ca 0.23 0.59 0.21 0.00 0.02 0.00 0.00 61.00 62.05 2kpw s PRO 38 Cb -0.12 -4.25 1.45 0.00 0.02 0.00 0.00 34.50 31.61 2kpw s PRO 38 CO 0.14 -2.27 2.18 1.98 -0.33 0.00 0.00 177.00 178.70 2kpw h MET 39 N 12.82 0.00 0.00 5.54 4.05 -1.90 -2.34 114.93 133.11 2kpw h MET 39 Ca -0.27 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2kpw h MET 39 Cb 1.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 2kpw h MET 39 CO 1.18 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.73 2kpw n GLY 40 N -1.47 -0.61 1.02 1.39 0.00 -1.26 -2.74 105.19 101.52 2kpw n GLY 40 Ca -0.03 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.03 2kpw n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kpw n GLY 41 N 0.16 1.54 3.65 -0.02 0.00 -0.88 -4.70 105.19 104.95 2kpw n GLY 41 Ca 0.07 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 2kpw n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpw s TRP 42 N -1.33 2.46 -0.18 1.61 0.52 -1.11 -0.49 118.94 120.42 2kpw s TRP 42 Ca 0.38 -0.69 -0.10 0.00 0.02 0.00 0.00 56.10 55.71 2kpw s TRP 42 Cb 0.20 -1.79 0.06 0.00 -1.15 0.00 0.00 33.47 30.79 2kpw s TRP 42 CO 0.27 0.38 0.44 -2.00 0.02 0.00 0.00 176.95 176.06 2kpw s GLU 43 N -3.76 0.43 -0.32 4.98 2.12 0.10 -2.17 118.70 120.08 2kpw s GLU 43 Ca 0.33 0.83 -0.15 0.00 0.36 0.00 0.00 54.97 56.34 2kpw s GLU 43 Cb 0.08 0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.45 2kpw s GLU 43 CO 0.17 -0.15 0.36 1.41 -0.54 0.00 0.00 175.26 176.51 2kpw s MET 44 N 1.38 3.69 -0.33 4.30 -2.45 0.10 -1.58 119.30 124.41 2kpw s MET 44 Ca -0.09 -0.29 -0.09 0.00 -1.25 0.00 0.00 55.69 53.96 2kpw s MET 44 Cb -0.08 -3.76 0.01 0.00 1.25 0.00 0.00 34.83 32.25 2kpw s MET 44 CO -0.13 -0.45 0.15 0.42 1.05 0.00 0.00 175.02 176.06 2kpw s ILE 45 N 2.03 4.43 -0.30 10.11 1.01 0.18 0.13 121.20 138.79 2kpw s ILE 45 Ca 0.13 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 2kpw s ILE 45 Cb -0.16 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2kpw s ILE 45 CO 0.11 -0.03 0.26 -0.60 0.00 0.00 0.00 174.94 174.69 2kpw s ARG 46 N 1.56 3.79 -0.49 2.79 3.52 0.28 0.11 118.95 130.52 2kpw s ARG 46 Ca 0.03 -0.36 -0.18 0.00 -0.13 0.00 0.00 55.73 55.09 2kpw s ARG 46 Cb -0.18 -3.72 0.05 0.00 -1.56 0.00 0.00 34.95 29.55 2kpw s ARG 46 CO 0.05 -0.31 0.57 0.15 -0.81 0.00 0.00 175.30 174.95 2kpw s LYS 47 N 1.84 3.10 -0.31 5.12 1.02 0.04 -1.26 119.74 129.29 2kpw s LYS 47 Ca 0.09 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.15 2kpw s LYS 47 Cb -0.16 -4.08 0.07 0.00 -0.52 0.00 0.00 37.83 33.13 2kpw s LYS 47 CO 0.11 -1.14 0.01 -1.50 -0.92 0.00 0.00 175.35 171.91 2kpw s ILE 48 N 2.41 2.71 0.00 2.17 2.07 -0.06 -1.46 121.20 129.05 2kpw s ILE 48 Ca 0.13 -1.68 0.00 0.00 -1.41 0.00 0.00 60.65 57.69 2kpw s ILE 48 Cb -0.20 -2.67 0.00 0.00 0.13 0.00 0.00 42.46 39.72 2kpw s ILE 48 CO 0.12 -0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.52 2kpw n GLY 49 N 4.52 0.21 0.00 1.50 0.00 -1.26 -1.40 105.19 108.76 2kpw n GLY 49 Ca -0.09 0.69 0.07 0.00 0.00 0.00 0.00 46.02 46.68 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 4.45 1.56 -2.28 1.61 2.03 -1.26 -5.05 116.55 117.61 2kpw n ASP 50 Ca 0.00 -0.21 -0.08 0.00 0.52 0.00 0.00 54.79 55.03 2kpw n ASP 50 Cb 0.00 1.46 -0.02 0.00 -0.72 0.00 0.00 41.12 41.84 2kpw n ASP 50 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2kpw n THR 51 N -1.80 0.00 -3.67 5.18 5.66 -0.49 -5.18 114.28 113.98 2kpw n THR 51 Ca -0.01 -0.67 -0.15 0.00 -3.05 0.00 0.00 64.05 60.17 2kpw n THR 51 Cb 0.32 0.22 -0.08 0.00 -1.55 0.00 0.00 70.33 69.23 2kpw n THR 51 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2kpw s SER 52 N -1.72 -0.44 -0.10 1.09 1.04 -1.26 -0.88 113.70 111.43 2kpw s SER 52 Ca 0.04 0.59 -0.19 0.00 0.48 0.00 0.00 55.95 56.87 2kpw s SER 52 Cb 0.00 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.79 2kpw s SER 52 CO 0.03 -0.40 0.47 0.54 0.98 0.00 0.00 173.24 174.86 2kpw s VAL 53 N -0.75 0.02 0.38 5.02 0.11 -0.39 -5.00 120.40 119.79 2kpw s VAL 53 Ca -0.08 -0.16 0.07 0.00 -2.93 0.00 0.00 61.98 58.89 2kpw s VAL 53 Cb -0.03 -0.72 -0.07 0.00 -1.53 0.00 0.00 36.38 34.02 2kpw s VAL 53 CO 0.05 -0.09 -0.02 -0.94 -3.33 0.00 0.00 175.10 170.77 2kpw s SER 54 N -0.55 3.70 -0.16 3.54 1.04 -1.26 -0.56 113.70 119.44 2kpw s SER 54 Ca -0.07 -1.31 -0.05 0.00 0.48 0.00 0.00 55.95 55.00 2kpw s SER 54 Cb -0.03 -0.36 0.06 0.00 0.10 0.00 0.00 66.02 65.79 2kpw s SER 54 CO 0.04 -0.39 0.09 -0.47 0.98 0.00 0.00 173.24 173.49 2kpw s TYR 55 N -2.73 0.19 -0.13 5.02 5.04 0.12 -4.98 117.35 119.89 2kpw s TYR 55 Ca 0.34 -0.27 -0.29 0.00 -2.44 0.00 0.00 57.07 54.40 2kpw s TYR 55 Cb 0.08 -0.68 -0.01 0.00 0.35 0.00 0.00 41.96 41.70 2kpw s TYR 55 CO 0.17 -0.49 1.03 0.21 -1.34 0.00 0.00 175.55 175.13 2kpw s LYS 56 N 2.14 4.38 -0.44 4.97 2.20 -1.26 -0.72 119.74 131.01 2kpw s LYS 56 Ca 0.02 1.40 -0.28 0.00 -0.36 0.00 0.00 55.97 56.76 2kpw s LYS 56 Cb -0.16 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 2kpw s LYS 56 CO -0.08 -0.39 1.84 0.71 -0.36 0.00 0.00 175.35 177.06 2kpw s TYR 57 N 2.27 1.74 -0.07 4.03 1.51 -0.92 -4.96 117.35 120.95 2kpw s TYR 57 Ca 0.48 0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 56.97 2kpw s TYR 57 Cb -0.18 -4.09 -0.04 0.00 -0.11 0.00 0.00 41.96 37.54 2kpw s TYR 57 CO 0.16 -2.66 1.42 -0.08 -1.11 0.00 0.00 175.55 173.27 2kpw s THR 58 N 7.88 3.89 -1.20 -0.71 -1.32 -1.26 -4.21 115.64 118.71 2kpw s THR 58 Ca 0.75 1.16 -0.18 0.00 -1.21 0.00 0.00 61.69 62.21 2kpw s THR 58 Cb -0.18 -3.75 0.10 0.00 -1.51 0.00 0.00 72.50 67.16 2kpw s THR 58 CO 0.29 -0.06 1.57 -0.55 -2.21 0.00 0.00 174.62 173.65 2kpw s SER 59 N 2.31 6.82 0.00 8.08 0.15 -1.26 -4.62 113.70 125.19 2kpw s SER 59 Ca 0.63 -2.39 0.18 0.00 0.70 0.00 0.00 55.95 55.08 2kpw s SER 59 Cb -0.28 -2.52 0.30 0.00 -1.71 0.00 0.00 66.02 61.80 2kpw s SER 59 CO 0.23 -1.11 1.23 -2.11 1.20 0.00 0.00 173.24 172.67 2kpw n ARG 60 N 7.66 2.08 -3.71 5.44 1.85 -1.26 -4.98 116.66 123.74 2kpw n ARG 60 Ca 0.41 -1.94 -0.07 0.00 -1.00 0.00 0.00 57.85 55.26 2kpw n ARG 60 Cb 0.46 -1.39 -0.02 0.00 -1.05 0.00 0.00 32.46 30.46 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 -1.31 -0.24 0.07 2.89 1.13 -1.26 -4.98 117.35 113.65 2kpw s TYR 61 Ca 0.29 -0.09 0.01 0.00 -1.41 0.00 0.00 57.07 55.87 2kpw s TYR 61 Cb 0.17 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.63 2kpw s TYR 61 CO 0.24 -0.94 0.15 0.14 -2.51 0.00 0.00 175.55 172.63 2kpw s VAL 62 N -3.56 4.99 -0.49 -3.49 -7.23 -1.26 -4.44 120.40 104.92 2kpw s VAL 62 Ca 0.09 -0.57 -0.14 0.00 -1.81 0.00 0.00 61.98 59.55 2kpw s VAL 62 Cb -0.03 -3.43 0.10 0.00 0.56 0.00 0.00 36.38 33.59 2kpw s VAL 62 CO 0.00 0.13 0.41 -0.22 -0.31 0.00 0.00 175.10 175.12 2kpw s LEU 63 N -2.47 5.81 0.95 1.32 2.96 -0.08 -4.92 118.68 122.25 2kpw s LEU 63 Ca 0.32 -1.64 -0.11 0.00 -0.22 0.00 0.00 54.13 52.49 2kpw s LEU 63 Cb -0.13 -2.14 0.17 0.00 0.50 0.00 0.00 46.19 44.59 2kpw s LEU 63 CO 0.25 -0.73 1.11 -0.54 -1.32 0.00 0.00 176.35 175.12 2kpw s LYS 64 N 1.55 0.73 0.02 1.98 1.02 -1.26 -0.22 119.74 123.55 2kpw s LYS 64 Ca 0.04 1.28 -0.30 0.00 0.02 0.00 0.00 55.97 57.00 2kpw s LYS 64 Cb -0.27 -1.71 -0.07 0.00 -0.52 0.00 0.00 37.83 35.25 2kpw s LYS 64 CO 0.03 -2.74 1.72 0.00 -0.92 0.00 0.00 175.35 173.44 2kpw s ALA 65 N -2.66 3.64 -0.34 5.17 0.00 -1.25 -2.16 121.76 124.15 2kpw s ALA 65 Ca 0.66 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2kpw s ALA 65 Cb -0.22 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2kpw s ALA 65 CO 0.59 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2kpw n GLY 66 N 4.17 0.61 3.76 0.00 0.00 0.10 -5.00 105.19 108.84 2kpw n GLY 66 Ca 0.17 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.35 4.09 0.10 1.61 2.00 -0.92 -4.85 119.66 119.34 2kpw s GLN 67 Ca 0.00 0.10 -0.10 0.00 -2.00 0.00 0.00 55.36 53.36 2kpw s GLN 67 Cb 0.00 -3.36 -0.06 0.00 0.80 0.00 0.00 33.01 30.39 2kpw s GLN 67 CO 0.00 0.38 0.42 0.95 -0.50 0.00 0.00 175.29 176.55 2kpw s THR 68 N 0.02 5.06 0.02 -0.34 -4.23 -1.26 -1.37 115.64 113.55 2kpw s THR 68 Ca 0.17 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 2kpw s THR 68 Cb -0.13 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 2kpw s THR 68 CO 0.05 0.24 -0.04 0.68 -0.54 0.00 0.00 174.62 175.00 2kpw s VAL 69 N -1.46 0.27 -0.17 2.29 -7.23 0.04 -4.98 120.40 109.15 2kpw s VAL 69 Ca 0.35 -0.65 -0.06 0.00 -1.81 0.00 0.00 61.98 59.81 2kpw s VAL 69 Cb -0.14 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 2kpw s VAL 69 CO 0.19 -0.25 0.02 -0.89 -0.31 0.00 0.00 175.10 173.86 2kpw s THR 70 N -0.89 4.42 -0.47 5.32 2.01 -1.26 -0.78 115.64 123.98 2kpw s THR 70 Ca -0.08 -0.17 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 2kpw s THR 70 Cb -0.07 -2.97 0.09 0.00 0.01 0.00 0.00 72.50 69.56 2kpw s THR 70 CO -0.00 0.47 0.38 -0.63 -0.69 0.00 0.00 174.62 174.15 2kpw s ILE 71 N 0.38 4.94 0.68 1.82 -1.09 0.45 -0.79 121.20 127.60 2kpw s ILE 71 Ca 0.00 -1.28 -0.08 0.00 -2.23 0.00 0.00 60.65 57.06 2kpw s ILE 71 Cb -0.13 -4.03 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 2kpw s ILE 71 CO 0.01 -0.64 1.02 0.26 -1.23 0.00 0.00 174.94 174.37 2kpw s TRP 72 N 1.57 3.15 -0.41 3.97 0.52 0.43 -1.04 118.94 127.13 2kpw s TRP 72 Ca 0.04 0.72 0.02 0.00 0.02 0.00 0.00 56.10 56.90 2kpw s TRP 72 Cb -0.25 -3.05 0.12 0.00 -1.15 0.00 0.00 33.47 29.14 2kpw s TRP 72 CO 0.04 -1.20 0.17 0.00 0.02 0.00 0.00 176.95 175.99 2kpw s ALA 73 N -3.24 2.42 0.00 0.98 0.00 -1.17 -0.47 121.76 120.28 2kpw s ALA 73 Ca 0.58 -2.53 0.00 0.00 0.00 0.00 0.00 51.96 50.01 2kpw s ALA 73 Cb -0.11 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2kpw s ALA 73 CO 0.47 -1.89 0.00 0.00 0.00 0.00 0.00 175.76 174.35 2kpw n ALA 74 N 3.89 0.00 0.06 0.00 0.00 0.17 -3.25 120.51 121.37 2kpw n ALA 74 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kpw n ALA 74 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2kpw n ALA 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kpw n ASN 75 N 0.73 3.90 0.04 0.00 4.13 -1.26 -3.93 115.26 118.86 2kpw n ASN 75 Ca 0.00 -2.05 0.13 0.00 1.68 0.00 0.00 54.58 54.35 2kpw n ASN 75 Cb 0.00 -0.78 0.50 0.00 -1.54 0.00 0.00 39.78 37.96 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kpw n ALA 76 N 1.19 2.43 0.00 5.41 0.00 -1.21 -4.93 120.51 123.38 2kpw n ALA 76 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kpw n ALA 76 Cb 0.44 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2kpw n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kpw n GLY 77 N 1.43 1.14 3.53 0.00 0.00 -1.25 -4.97 105.19 105.07 2kpw n GLY 77 Ca 0.06 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 0.39 -2.16 1.61 0.24 -1.26 -4.94 118.33 112.22 2kpw n VAL 78 Ca 0.00 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.74 2kpw n VAL 78 Cb 0.00 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 31.53 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 -2.39 2.97 -0.10 3.34 -4.23 -1.26 -4.91 115.64 109.05 2kpw s THR 79 Ca 0.62 0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 61.99 2kpw s THR 79 Cb -0.24 -3.54 0.07 0.00 1.34 0.00 0.00 72.50 70.13 2kpw s THR 79 CO 0.62 0.16 1.92 0.00 -0.54 0.00 0.00 174.62 176.77 2kpw n ALA 80 N 1.96 4.22 -3.79 3.99 0.00 -1.26 -4.75 120.51 120.87 2kpw n ALA 80 Ca 0.04 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2kpw n ALA 80 Cb 0.42 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.61 2kpw n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kpw s SER 81 N 1.35 3.91 0.09 0.00 0.01 -1.26 -4.83 113.70 112.98 2kpw s SER 81 Ca 0.10 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.85 2kpw s SER 81 Cb 0.08 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2kpw s SER 81 CO 0.00 -0.37 0.00 -2.65 0.41 0.00 0.00 173.24 170.63 2kpw n PRO 82 N 4.79 1.96 -0.01 12.44 -0.02 -1.24 -4.72 135.00 148.20 2kpw n PRO 82 Ca -0.04 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.57 2kpw n PRO 82 Cb 0.43 0.00 0.66 0.00 -0.02 0.00 0.00 33.50 34.57 2kpw n PRO 82 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2kpw n PRO 83 N -0.18 1.31 0.00 0.52 -0.05 -1.26 -4.90 135.00 130.43 2kpw n PRO 83 Ca 0.00 -0.46 0.00 0.00 -0.05 0.00 0.00 63.50 62.99 2kpw n PRO 83 Cb 0.00 -1.44 0.00 0.00 -0.05 0.00 0.00 33.50 32.01 2kpw n PRO 83 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2kpw n THR 84 N -0.40 0.00 -4.58 0.52 -2.24 -1.26 -4.97 114.28 101.34 2kpw n THR 84 Ca 0.19 1.06 -0.27 0.00 -2.27 0.00 0.00 64.05 62.77 2kpw n THR 84 Cb 0.21 -2.00 -0.11 0.00 -2.10 0.00 0.00 70.33 66.33 2kpw n THR 84 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kpw s ASP 85 N -2.24 3.58 -0.08 3.42 1.01 -1.26 -4.52 116.67 116.57 2kpw s ASP 85 Ca 0.00 -1.35 0.03 0.00 0.71 0.00 0.00 52.55 51.94 2kpw s ASP 85 Cb 0.00 -0.34 -0.02 0.00 1.01 0.00 0.00 42.92 43.58 2kpw s ASP 85 CO 0.00 -0.45 -0.17 -0.76 0.21 0.00 0.00 175.17 174.00 2kpw s LEU 86 N -3.66 2.54 -0.30 1.23 1.43 0.03 -3.66 118.68 116.30 2kpw s LEU 86 Ca 0.35 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 2kpw s LEU 86 Cb 0.09 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.80 2kpw s LEU 86 CO 0.17 0.25 0.07 -0.63 0.23 0.00 0.00 176.35 176.44 2kpw s ILE 87 N -0.15 3.84 -0.46 -0.59 1.09 -1.26 -0.43 121.20 123.24 2kpw s ILE 87 Ca -0.02 -0.78 -0.26 0.00 -1.10 0.00 0.00 60.65 58.50 2kpw s ILE 87 Cb -0.14 -3.00 0.03 0.00 -1.06 0.00 0.00 42.46 38.29 2kpw s ILE 87 CO 0.04 0.06 0.95 0.86 -0.10 0.00 0.00 174.94 176.74 2kpw s TRP 88 N 1.47 2.92 -0.90 3.97 -0.00 0.38 -4.86 118.94 121.92 2kpw s TRP 88 Ca 0.02 0.44 0.27 0.00 -0.00 0.00 0.00 56.10 56.83 2kpw s TRP 88 Cb -0.17 -4.00 0.82 0.00 -0.00 0.00 0.00 33.47 30.11 2kpw s TRP 88 CO 0.02 -1.10 1.66 1.63 -0.00 0.00 0.00 176.95 179.16 2kpw n LYS 89 N 7.21 0.08 0.07 5.86 5.02 -1.26 0.42 118.16 135.57 2kpw n LYS 89 Ca 0.07 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.29 2kpw n LYS 89 Cb 0.49 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 2kpw n LYS 89 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2kpw h ASN 90 N 0.00 -0.21 -3.34 4.39 4.21 -1.95 -3.43 115.58 115.25 2kpw h ASN 90 Ca 0.00 -0.32 -0.58 0.00 1.21 0.00 0.00 56.30 56.61 2kpw h ASN 90 Cb 0.57 0.05 -0.08 0.00 -1.12 0.00 0.00 38.32 37.75 2kpw h ASN 90 CO 0.00 0.31 0.30 -1.58 -1.29 0.00 0.00 177.43 175.17 2kpw s GLN 91 N -3.60 4.27 -0.55 0.81 0.74 -1.26 -4.96 119.66 115.12 2kpw s GLN 91 Ca -0.13 0.89 -0.06 0.00 0.05 0.00 0.00 55.36 56.11 2kpw s GLN 91 Cb 0.01 -3.57 -0.13 0.00 1.10 0.00 0.00 33.01 30.42 2kpw s GLN 91 CO 0.48 -0.29 3.20 0.09 -0.55 0.00 0.00 175.29 178.22 2kpw n ASN 92 N 5.13 6.49 -1.18 6.67 4.13 -1.26 -3.20 115.26 132.03 2kpw n ASN 92 Ca 0.02 -2.71 0.00 0.00 1.68 0.00 0.00 54.58 53.57 2kpw n ASN 92 Cb 0.49 -1.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.33 2kpw n ASN 92 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kpw n SER 93 N 2.31 -6.66 -4.90 6.41 2.88 -1.20 -4.75 113.62 107.71 2kpw n SER 93 Ca 0.53 0.92 -0.21 0.00 -1.33 0.00 0.00 58.87 58.78 2kpw n SER 93 Cb 0.64 -3.28 -0.02 0.00 -0.75 0.00 0.00 64.21 60.80 2kpw n SER 93 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2kpw s TRP 94 N -2.95 2.48 0.00 0.66 -2.14 -1.22 -5.08 118.94 110.68 2kpw s TRP 94 Ca 0.00 -0.55 0.00 0.00 2.66 0.00 0.00 56.10 58.21 2kpw s TRP 94 Cb 0.00 -2.16 0.00 0.00 -3.10 0.00 0.00 33.47 28.21 2kpw s TRP 94 CO 0.00 -0.27 0.00 0.41 -2.66 0.00 0.00 176.95 174.43 2kpw n GLY 95 N -1.65 1.56 2.00 3.67 0.00 -1.26 -3.83 105.19 105.68 2kpw n GLY 95 Ca 0.04 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2kpw n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kpw n THR 96 N 0.00 0.00 0.00 2.61 5.66 -1.26 -5.07 114.28 116.22 2kpw n THR 96 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kpw n THR 96 Cb 0.00 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.57 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 -0.25 1.44 3.77 1.09 0.00 -1.26 -5.13 105.19 104.85 2kpw n GLY 97 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2kpw n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpw s GLU 98 N 0.00 4.01 -0.57 1.61 0.41 -1.26 -4.96 118.70 117.94 2kpw s GLU 98 Ca 0.00 1.77 -0.28 0.00 -0.41 0.00 0.00 54.97 56.05 2kpw s GLU 98 Cb 0.00 -2.60 0.01 0.00 -1.78 0.00 0.00 34.13 29.76 2kpw s GLU 98 CO 0.00 -0.34 1.46 -0.51 -0.49 0.00 0.00 175.26 175.38 2kpw s ASP 99 N -1.25 6.04 -0.08 -0.19 1.01 -1.26 -4.95 116.67 115.99 2kpw s ASP 99 Ca 0.58 0.26 -0.28 0.00 0.71 0.00 0.00 52.55 53.82 2kpw s ASP 99 Cb -0.29 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.08 2kpw s ASP 99 CO 0.36 -1.79 0.93 0.54 0.21 0.00 0.00 175.17 175.42 2kpw s VAL 100 N 6.36 4.86 -0.33 -1.27 0.11 -1.26 -4.72 120.40 124.14 2kpw s VAL 100 Ca 0.53 1.91 -0.14 0.00 -2.93 0.00 0.00 61.98 61.35 2kpw s VAL 100 Cb -0.11 -4.25 -0.02 0.00 -1.53 0.00 0.00 36.38 30.47 2kpw s VAL 100 CO 0.24 0.09 0.33 -0.75 -3.33 0.00 0.00 175.10 171.67 2kpw s LYS 101 N 1.58 3.60 -0.10 1.54 2.20 -0.53 -3.04 119.74 124.98 2kpw s LYS 101 Ca 0.46 -0.43 -0.13 0.00 -0.36 0.00 0.00 55.97 55.52 2kpw s LYS 101 Cb -0.19 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.30 2kpw s LYS 101 CO 0.20 -0.48 0.30 0.54 -0.36 0.00 0.00 175.35 175.56 2kpw s VAL 102 N 1.95 5.25 -0.01 4.02 0.11 -0.04 -0.78 120.40 130.91 2kpw s VAL 102 Ca 0.11 0.58 0.06 0.00 -2.93 0.00 0.00 61.98 59.80 2kpw s VAL 102 Cb -0.17 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.04 2kpw s VAL 102 CO 0.11 0.50 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.56 2kpw s ILE 103 N -0.34 2.68 -0.22 7.04 -1.09 0.12 -1.76 121.20 127.63 2kpw s ILE 103 Ca 0.19 -1.00 -0.02 0.00 -2.23 0.00 0.00 60.65 57.59 2kpw s ILE 103 Cb -0.14 -2.05 0.01 0.00 -1.58 0.00 0.00 42.46 38.70 2kpw s ILE 103 CO 0.07 0.49 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.42 2kpw s LEU 104 N -0.96 2.79 0.22 2.97 1.43 0.47 -0.64 118.68 124.96 2kpw s LEU 104 Ca 0.12 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2kpw s LEU 104 Cb -0.10 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2kpw s LEU 104 CO 0.02 -0.05 -0.15 -0.54 0.23 0.00 0.00 176.35 175.85 2kpw s LYS 105 N 1.37 1.40 0.53 1.70 1.02 -0.62 -2.30 119.74 122.85 2kpw s LYS 105 Ca 0.03 -1.63 0.08 0.00 0.02 0.00 0.00 55.97 54.47 2kpw s LYS 105 Cb -0.15 -1.24 0.09 0.00 -0.52 0.00 0.00 37.83 36.01 2kpw s LYS 105 CO -0.06 0.20 0.74 0.09 -0.92 0.00 0.00 175.35 175.40 2kpw n ASN 106 N -0.43 1.81 -0.28 2.83 4.13 0.00 0.02 115.26 123.33 2kpw n ASN 106 Ca -0.07 -2.34 0.08 0.00 1.68 0.00 0.00 54.58 53.93 2kpw n ASN 106 Cb 0.60 -0.40 0.23 0.00 -1.54 0.00 0.00 39.78 38.67 2kpw n ASN 106 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2kpw h SER 107 N 0.02 0.36 0.00 6.41 4.64 -1.09 0.85 113.55 124.74 2kpw h SER 107 Ca -0.25 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2kpw h SER 107 Cb 1.11 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2kpw h SER 107 CO 0.34 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 2kpw n GLN 108 N -4.98 0.77 -0.91 4.77 6.02 -1.26 -4.84 117.38 116.96 2kpw n GLN 108 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2kpw n GLN 108 Cb 0.49 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.32 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 0.51 0.54 3.74 1.08 0.00 0.29 -5.03 105.19 106.32 2kpw n GLY 109 Ca 0.16 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.17 4.75 -0.13 1.61 -1.05 -1.25 -4.76 118.70 117.70 2kpw s GLU 110 Ca 0.00 1.55 -0.06 0.00 -0.15 0.00 0.00 54.97 56.30 2kpw s GLU 110 Cb 0.00 -3.30 -0.04 0.00 -0.44 0.00 0.00 34.13 30.35 2kpw s GLU 110 CO 0.00 0.34 0.10 -2.00 0.95 0.00 0.00 175.26 174.65 2kpw s GLU 111 N -0.77 3.53 0.00 -4.83 2.12 -1.26 -0.82 118.70 116.67 2kpw s GLU 111 Ca 0.44 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.54 2kpw s GLU 111 Cb -0.26 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 30.98 2kpw s GLU 111 CO 0.33 0.62 0.00 1.33 -0.54 0.00 0.00 175.26 177.00 2kpw n VAL 112 N 2.46 0.00 -4.20 3.70 0.24 -0.97 -5.02 118.33 114.53 2kpw n VAL 112 Ca -0.19 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.97 2kpw n VAL 112 Cb 0.54 -0.92 -0.11 0.00 -1.47 0.00 0.00 33.84 31.88 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 -1.91 1.24 -0.24 2.33 0.00 -1.23 -5.04 121.76 116.91 2kpw s ALA 113 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 2kpw s ALA 113 Cb 0.00 0.02 0.17 0.00 0.00 0.00 0.00 23.12 23.31 2kpw s ALA 113 CO 0.00 -0.03 1.23 1.14 0.00 0.00 0.00 175.76 178.11 2kpw s GLN 114 N -2.97 0.24 -0.16 0.00 -2.07 -1.26 -0.40 119.66 113.05 2kpw s GLN 114 Ca 0.08 0.06 -0.34 0.00 -1.82 0.00 0.00 55.36 53.34 2kpw s GLN 114 Cb -0.02 0.12 0.13 0.00 -1.09 0.00 0.00 33.01 32.15 2kpw s GLN 114 CO 0.01 -0.08 1.14 0.50 -1.32 0.00 0.00 175.29 175.54 2kpw s ARG 115 N -1.07 0.41 0.00 9.60 3.52 -0.72 -5.02 118.95 125.67 2kpw s ARG 115 Ca 0.05 -0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 2kpw s ARG 115 Cb -0.01 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2kpw s ARG 115 CO -0.05 -0.18 0.00 -1.13 -0.81 0.00 0.00 175.30 173.14 2kpw n SER 116 N -0.07 0.00 -1.96 -2.12 3.41 -1.26 -0.86 113.62 110.75 2kpw n SER 116 Ca -0.02 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 2kpw n SER 116 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2kpw n SER 116 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kpw n THR 117 N -1.56 0.00 -3.03 6.66 -2.24 -1.17 -4.86 114.28 108.08 2kpw n THR 117 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2kpw n THR 117 Cb 0.00 -1.61 -0.06 0.00 -2.10 0.00 0.00 70.33 66.56 2kpw n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kpw s VAL 118 N -0.01 4.72 -0.82 2.28 1.01 -1.26 -4.93 120.40 121.40 2kpw s VAL 118 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2kpw s VAL 118 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2kpw s VAL 118 CO 0.00 -0.72 0.56 2.22 0.00 0.00 0.00 175.10 177.17 2kpw n PHE 119 N 6.54 0.00 -1.55 5.22 1.16 -1.26 -4.88 117.46 122.70 2kpw n PHE 119 Ca -0.00 -0.09 -0.34 0.00 -1.87 0.00 0.00 57.45 55.15 2kpw n PHE 119 Cb 0.48 -0.12 -0.05 0.00 -1.61 0.00 0.00 39.48 38.18 2kpw n PHE 119 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2kpw n LYS 120 N 0.11 0.88 -3.36 3.97 4.81 -1.26 -4.94 118.16 118.37 2kpw n LYS 120 Ca 0.00 -0.11 -0.37 0.00 -0.87 0.00 0.00 58.31 56.97 2kpw n LYS 120 Cb 0.28 -3.29 -0.06 0.00 0.02 0.00 0.00 35.03 31.99 2kpw n LYS 120 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2kpw s THR 121 N 12.16 4.85 0.00 3.15 2.01 -1.26 -5.25 115.64 131.29 2kpw s THR 121 Ca 1.01 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.97 2kpw s THR 121 Cb -0.27 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.46 2kpw s THR 121 CO 0.26 0.41 0.13 1.07 -0.69 0.00 0.00 174.62 175.80