#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 0.00 3.28 3.03 0.00 -1.26 -5.12 105.19 105.12 2kpw n GLY 2 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2kpw n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kpw s HIS 3 N 0.00 3.44 0.29 1.61 5.65 -1.26 -5.03 115.29 119.98 2kpw s HIS 3 Ca 0.00 -1.71 -0.01 0.00 0.25 0.00 0.00 55.06 53.59 2kpw s HIS 3 Cb 0.00 -3.70 -0.02 0.00 -1.18 0.00 0.00 32.58 27.68 2kpw s HIS 3 CO 0.00 -0.99 0.33 -3.38 -0.65 0.00 0.00 174.74 170.04 2kpw s HIS 4 N 1.05 1.17 -0.11 3.88 -0.00 -1.26 -5.16 115.29 114.85 2kpw s HIS 4 Ca 0.09 -1.33 -0.02 0.00 -0.00 0.00 0.00 55.06 53.80 2kpw s HIS 4 Cb -0.23 -0.34 0.04 0.00 -0.00 0.00 0.00 32.58 32.05 2kpw s HIS 4 CO -0.01 -0.91 0.00 -1.01 -0.00 0.00 0.00 174.74 172.81 2kpw s HIS 5 N -3.61 0.88 -0.34 0.38 4.02 -1.26 -5.11 115.29 110.26 2kpw s HIS 5 Ca 0.34 -0.45 -0.28 0.00 1.02 0.00 0.00 55.06 55.69 2kpw s HIS 5 Cb 0.02 -0.93 -0.04 0.00 -1.02 0.00 0.00 32.58 30.62 2kpw s HIS 5 CO 0.18 -0.44 2.02 -3.38 1.02 0.00 0.00 174.74 174.14 2kpw s HIS 6 N 1.90 1.49 -0.08 1.40 0.00 -1.26 -4.96 115.29 113.78 2kpw s HIS 6 Ca 0.03 0.72 -0.06 0.00 -3.00 0.00 0.00 55.06 52.76 2kpw s HIS 6 Cb -0.14 -3.99 0.03 0.00 -4.00 0.00 0.00 32.58 24.48 2kpw s HIS 6 CO -0.06 -3.23 0.19 -1.58 -1.00 0.00 0.00 174.74 169.06 2kpw s HIS 7 N 8.22 -0.22 -0.00 0.38 5.04 -1.26 -5.17 115.29 122.28 2kpw s HIS 7 Ca 0.88 0.55 -0.01 0.00 -1.54 0.00 0.00 55.06 54.94 2kpw s HIS 7 Cb -0.24 0.05 -0.00 0.00 0.04 0.00 0.00 32.58 32.42 2kpw s HIS 7 CO 0.32 -0.13 0.01 -3.38 -2.34 0.00 0.00 174.74 169.23 2kpw s HIS 8 N 0.40 0.04 -0.30 3.88 0.00 -1.26 -5.14 115.29 112.92 2kpw s HIS 8 Ca -0.02 -0.08 -0.18 0.00 -3.00 0.00 0.00 55.06 51.78 2kpw s HIS 8 Cb -0.04 -0.04 0.18 0.00 -4.00 0.00 0.00 32.58 28.68 2kpw s HIS 8 CO -0.02 -0.06 1.23 -1.54 -1.00 0.00 0.00 174.74 173.35 2kpw s SER 9 N -0.36 -0.11 -0.95 7.38 1.04 -1.26 -5.09 113.70 114.35 2kpw s SER 9 Ca -0.04 0.09 -0.24 0.00 0.48 0.00 0.00 55.95 56.24 2kpw s SER 9 Cb -0.03 1.10 0.01 0.00 0.10 0.00 0.00 66.02 67.21 2kpw s SER 9 CO -0.00 -0.02 1.65 -1.00 0.98 0.00 0.00 173.24 174.85 2kpw s HIS 10 N 2.77 2.21 0.01 5.02 0.09 -1.26 -4.98 115.29 119.16 2kpw s HIS 10 Ca -0.07 -0.18 -0.02 0.00 -0.00 0.00 0.00 55.06 54.79 2kpw s HIS 10 Cb -0.07 -4.42 -0.04 0.00 -0.00 0.00 0.00 32.58 28.05 2kpw s HIS 10 CO -0.09 -1.88 0.20 -1.64 -0.00 0.00 0.00 174.74 171.33 2kpw s MET 11 N 5.88 3.45 0.16 1.40 1.00 -1.26 -5.02 119.30 124.91 2kpw s MET 11 Ca 0.56 -0.34 -0.06 0.00 0.00 0.00 0.00 55.69 55.85 2kpw s MET 11 Cb -0.03 -3.08 0.03 0.00 0.00 0.00 0.00 34.83 31.75 2kpw s MET 11 CO -0.05 0.65 1.45 0.00 0.00 0.00 0.00 175.02 177.07 2kpw h THR 12 N 2.59 1.32 -5.07 2.05 1.03 -1.95 -3.49 112.91 109.40 2kpw h THR 12 Ca -0.48 -1.87 -0.02 0.00 -0.01 0.00 0.00 66.41 64.03 2kpw h THR 12 Cb 1.18 1.83 0.02 0.00 -1.07 0.00 0.00 68.15 70.11 2kpw h THR 12 CO 0.71 0.58 -0.08 0.61 -0.01 0.00 0.00 175.52 177.33 2kpw n GLY 13 N 0.39 -1.09 3.50 2.99 0.00 -1.26 -4.92 105.19 104.78 2kpw n GLY 13 Ca -0.04 0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.92 6.59 -0.02 1.61 2.47 -1.26 -4.98 114.94 116.43 2kpw s ASN 14 Ca 0.04 -1.83 0.05 0.00 0.42 0.00 0.00 52.86 51.54 2kpw s ASN 14 Cb -0.01 -2.47 -0.01 0.00 -1.45 0.00 0.00 41.25 37.31 2kpw s ASN 14 CO 0.65 -1.24 -0.17 -0.69 -3.72 0.00 0.00 177.10 171.93 2kpw s VAL 15 N 3.60 1.36 0.26 -5.21 1.01 -1.26 -0.01 120.40 120.15 2kpw s VAL 15 Ca 0.38 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.75 2kpw s VAL 15 Cb -0.03 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2kpw s VAL 15 CO -0.09 0.39 -0.19 0.00 0.00 0.00 0.00 175.10 175.20 2kpw s ILE 17 N -2.51 5.20 0.00 0.00 1.01 -1.26 -0.44 121.20 123.21 2kpw s ILE 17 Ca 0.28 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.75 2kpw s ILE 17 Cb -0.05 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2kpw s ILE 17 CO 0.13 0.30 0.00 1.21 0.00 0.00 0.00 174.94 176.57 2kpw n GLU 18 N 4.02 0.00 -3.54 2.79 2.13 -1.10 -4.89 120.64 120.05 2kpw n GLU 18 Ca -0.08 0.14 -0.08 0.00 0.66 0.00 0.00 57.16 57.80 2kpw n GLU 18 Cb 0.51 -0.61 -0.03 0.00 0.27 0.00 0.00 31.44 31.59 2kpw n GLU 18 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2kpw s GLU 19 N -0.30 0.66 0.13 5.31 2.56 -1.21 -5.03 118.70 120.82 2kpw s GLU 19 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.97 54.67 2kpw s GLU 19 Cb 0.00 0.31 -0.07 0.00 2.00 0.00 0.00 34.13 36.37 2kpw s GLU 19 CO 0.00 -0.28 0.50 0.42 -0.56 0.00 0.00 175.26 175.34 2kpw s ILE 20 N -2.57 4.95 0.44 -3.70 1.01 -1.26 -2.96 121.20 117.10 2kpw s ILE 20 Ca 0.05 0.67 -0.25 0.00 0.00 0.00 0.00 60.65 61.11 2kpw s ILE 20 Cb -0.01 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 2kpw s ILE 20 CO -0.06 0.23 1.32 -0.62 0.00 0.00 0.00 174.94 175.81 2kpw s ASP 21 N -1.78 6.09 0.29 3.58 2.15 -0.65 -4.94 116.67 121.42 2kpw s ASP 21 Ca 0.37 2.69 0.13 0.00 0.43 0.00 0.00 52.55 56.17 2kpw s ASP 21 Cb -0.14 -2.64 0.40 0.00 -0.30 0.00 0.00 42.92 40.24 2kpw s ASP 21 CO 0.19 -1.00 1.61 1.62 -0.17 0.00 0.00 175.17 177.42 2kpw h VAL 22 N 2.26 1.23 0.04 1.11 3.04 -1.97 -3.07 116.25 118.89 2kpw h VAL 22 Ca -0.50 -2.04 -0.25 0.00 -1.01 0.00 0.00 66.70 62.91 2kpw h VAL 22 Cb 1.26 2.15 -0.02 0.00 -2.01 0.00 0.00 31.29 32.66 2kpw h VAL 22 CO 0.61 0.55 -1.22 -0.78 -1.01 0.00 0.00 177.57 175.73 2kpw h ASP 23 N 0.00 0.12 0.00 3.17 3.58 -1.92 -3.48 116.42 117.89 2kpw h ASP 23 Ca -0.01 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2kpw h ASP 23 Cb 1.11 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2kpw h ASP 23 CO 0.07 1.12 0.00 0.61 -2.88 0.00 0.00 179.24 178.16 2kpw n GLY 24 N 1.45 1.03 0.09 -0.78 0.00 -1.16 -4.63 105.19 101.19 2kpw n GLY 24 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 1.33 0.08 -3.20 1.61 1.57 -1.90 -3.25 116.57 112.80 2kpw h LYS 25 Ca 0.00 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2kpw h LYS 25 Cb 0.00 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.27 2kpw h LYS 25 CO 0.00 0.99 0.11 -0.59 -0.57 0.00 0.00 179.45 179.38 2kpw s PHE 26 N -2.88 -0.12 -0.22 -1.35 -0.12 -1.26 -0.87 117.98 111.16 2kpw s PHE 26 Ca -0.01 -0.26 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 2kpw s PHE 26 Cb 0.10 0.51 0.06 0.00 -0.63 0.00 0.00 43.02 43.05 2kpw s PHE 26 CO 0.83 -1.05 -0.05 0.42 -0.05 0.00 0.00 175.22 175.32 2kpw s ILE 27 N -3.90 1.36 -0.31 -4.49 1.01 0.21 -1.63 121.20 113.45 2kpw s ILE 27 Ca 0.11 -1.06 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 2kpw s ILE 27 Cb -0.03 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 2kpw s ILE 27 CO 0.02 -0.07 0.53 -0.60 0.00 0.00 0.00 174.94 174.82 2kpw s ARG 28 N 1.48 3.85 0.22 2.79 3.52 -1.15 -0.57 118.95 129.08 2kpw s ARG 28 Ca -0.04 0.11 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 2kpw s ARG 28 Cb -0.18 -3.73 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 2kpw s ARG 28 CO -0.07 -0.51 0.34 -0.51 -0.81 0.00 0.00 175.30 173.74 2kpw s LEU 29 N 2.40 4.32 -0.18 -0.88 1.02 -0.17 -2.73 118.68 122.47 2kpw s LEU 29 Ca 0.21 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.47 2kpw s LEU 29 Cb -0.15 -2.88 0.03 0.00 0.02 0.00 0.00 46.19 43.21 2kpw s LEU 29 CO 0.11 -0.04 -0.12 -0.75 0.02 0.00 0.00 176.35 175.57 2kpw s LYS 30 N -3.77 2.19 -0.39 1.70 2.20 0.42 0.16 119.74 122.25 2kpw s LYS 30 Ca 0.34 -0.75 -0.28 0.00 -0.36 0.00 0.00 55.97 54.92 2kpw s LYS 30 Cb -0.10 -2.32 -0.01 0.00 -1.51 0.00 0.00 37.83 33.89 2kpw s LYS 30 CO 0.29 -0.35 1.75 1.21 -0.36 0.00 0.00 175.35 177.90 2kpw s ASN 31 N 1.42 5.85 -0.16 1.43 2.47 -0.04 -0.89 114.94 125.02 2kpw s ASN 31 Ca 0.01 1.06 0.13 0.00 0.42 0.00 0.00 52.86 54.49 2kpw s ASN 31 Cb -0.15 -2.53 0.66 0.00 -1.45 0.00 0.00 41.25 37.78 2kpw s ASN 31 CO -0.09 -1.79 1.52 0.35 -3.72 0.00 0.00 177.10 173.37 2kpw n THR 32 N 7.33 2.02 -1.36 -5.21 -2.24 0.99 -2.27 114.28 113.54 2kpw n THR 32 Ca 0.22 -1.10 -0.31 0.00 -2.27 0.00 0.00 64.05 60.59 2kpw n THR 32 Cb 0.48 -0.18 0.09 0.00 -2.10 0.00 0.00 70.33 68.63 2kpw n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2kpw s SER 33 N -0.71 4.48 0.29 3.42 1.04 0.16 -4.88 113.70 117.49 2kpw s SER 33 Ca 0.45 1.63 0.23 0.00 0.48 0.00 0.00 55.95 58.73 2kpw s SER 33 Cb 0.32 -2.37 0.19 0.00 0.10 0.00 0.00 66.02 64.26 2kpw s SER 33 CO 0.16 -2.02 1.31 -0.33 0.98 0.00 0.00 173.24 173.34 2kpw h GLU 34 N -1.12 0.00 -4.06 4.02 5.08 -1.93 -3.30 114.58 113.27 2kpw h GLU 34 Ca -0.45 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.79 2kpw h GLU 34 Cb 1.24 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.34 2kpw h GLU 34 CO 0.54 0.00 -0.59 -1.14 -1.00 0.00 0.00 179.01 176.82 2kpw s GLN 35 N -3.28 0.63 0.19 2.33 0.74 -1.26 -4.93 119.66 114.08 2kpw s GLN 35 Ca 0.03 -1.04 -0.32 0.00 0.05 0.00 0.00 55.36 54.08 2kpw s GLN 35 Cb 0.08 0.23 -0.15 0.00 1.10 0.00 0.00 33.01 34.27 2kpw s GLN 35 CO 0.73 -0.14 1.10 -0.25 -0.55 0.00 0.00 175.29 176.17 2kpw n ASP 36 N 0.30 1.17 -3.92 6.67 9.92 -1.26 -4.60 116.55 124.83 2kpw n ASP 36 Ca -0.16 1.15 -0.19 0.00 -0.53 0.00 0.00 54.79 55.06 2kpw n ASP 36 Cb 0.60 -1.21 -0.16 0.00 -0.64 0.00 0.00 41.12 39.72 2kpw n ASP 36 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kpw s GLN 37 N -0.64 0.77 0.00 -1.24 -1.52 -0.12 -4.94 119.66 111.99 2kpw s GLN 37 Ca 0.70 -0.15 0.00 0.00 -1.95 0.00 0.00 55.36 53.96 2kpw s GLN 37 Cb -0.83 -0.77 0.00 0.00 -0.22 0.00 0.00 33.01 31.19 2kpw s GLN 37 CO 0.54 -0.01 0.38 -0.35 -0.25 0.00 0.00 175.29 175.60 2kpw n PRO 38 N 3.73 0.67 0.00 2.91 -0.04 -1.26 0.10 135.00 141.11 2kpw n PRO 38 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 2kpw n PRO 38 Cb 0.52 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 2kpw n PRO 38 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2kpw n MET 39 N 0.23 0.00 0.00 0.54 1.56 -1.26 -4.71 117.12 113.48 2kpw n MET 39 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2kpw n MET 39 Cb 0.19 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.56 2kpw n MET 39 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kpw n GLY 40 N 0.00 -1.35 3.50 -5.12 0.00 -1.26 -4.74 105.19 96.22 2kpw n GLY 40 Ca 0.00 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 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 1.71 0.11 -0.02 0.00 -1.26 -3.94 107.32 103.92 2kpw s GLY 41 Ca 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 44.72 42.07 2kpw s GLY 41 CO 0.00 2.30 0.28 -0.98 0.00 0.00 0.00 173.10 174.70 2kpw s TRP 42 N 3.51 3.50 -0.25 1.90 0.52 -1.26 -0.42 118.94 126.45 2kpw s TRP 42 Ca 0.40 0.32 -0.00 0.00 0.02 0.00 0.00 56.10 56.83 2kpw s TRP 42 Cb -0.02 -1.82 0.03 0.00 -1.15 0.00 0.00 33.47 30.51 2kpw s TRP 42 CO -0.08 0.51 -0.08 -2.00 0.02 0.00 0.00 176.95 175.32 2kpw s GLU 43 N -2.74 2.71 -0.44 4.98 2.12 -0.65 -0.61 118.70 124.08 2kpw s GLU 43 Ca 0.37 -1.05 -0.16 0.00 0.36 0.00 0.00 54.97 54.48 2kpw s GLU 43 Cb -0.12 -2.93 0.04 0.00 0.26 0.00 0.00 34.13 31.37 2kpw s GLU 43 CO 0.27 -0.43 0.40 1.41 -0.54 0.00 0.00 175.26 176.38 2kpw s MET 44 N 1.27 3.03 -0.44 4.30 -2.45 -0.23 -2.61 119.30 122.18 2kpw s MET 44 Ca -0.01 -1.00 -0.17 0.00 -1.25 0.00 0.00 55.69 53.26 2kpw s MET 44 Cb -0.17 -4.02 0.03 0.00 1.25 0.00 0.00 34.83 31.92 2kpw s MET 44 CO -0.05 -0.90 0.45 0.42 1.05 0.00 0.00 175.02 175.99 2kpw s ILE 45 N 1.92 5.08 -0.53 10.11 1.09 -0.25 -0.97 121.20 137.65 2kpw s ILE 45 Ca 0.08 -0.44 -0.16 0.00 -1.10 0.00 0.00 60.65 59.03 2kpw s ILE 45 Cb -0.20 -4.08 0.11 0.00 -1.06 0.00 0.00 42.46 37.24 2kpw s ILE 45 CO 0.11 -0.48 0.50 -0.60 -0.10 0.00 0.00 174.94 174.36 2kpw s ARG 46 N 2.14 2.99 -1.15 2.79 3.52 0.08 -0.18 118.95 129.15 2kpw s ARG 46 Ca 0.12 -1.58 -0.19 0.00 -0.13 0.00 0.00 55.73 53.94 2kpw s ARG 46 Cb -0.18 -4.26 0.08 0.00 -1.56 0.00 0.00 34.95 29.03 2kpw s ARG 46 CO 0.13 -1.28 1.54 0.15 -0.81 0.00 0.00 175.30 175.03 2kpw s LYS 47 N 1.72 3.81 -0.28 5.12 1.02 -0.19 -1.90 119.74 129.05 2kpw s LYS 47 Ca 0.04 -1.71 -0.09 0.00 0.02 0.00 0.00 55.97 54.23 2kpw s LYS 47 Cb -0.28 -5.36 -0.03 0.00 -0.52 0.00 0.00 37.83 31.64 2kpw s LYS 47 CO 0.04 -2.14 0.14 -1.50 -0.92 0.00 0.00 175.35 170.97 2kpw s ILE 48 N 4.06 4.76 -0.69 2.17 2.07 -0.38 -3.42 121.20 129.76 2kpw s ILE 48 Ca 0.48 -0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.59 2kpw s ILE 48 Cb 0.01 -3.29 0.00 0.00 0.13 0.00 0.00 42.46 39.31 2kpw s ILE 48 CO -0.01 0.24 0.59 0.61 -1.91 0.00 0.00 174.94 174.45 2kpw n GLY 49 N 4.99 0.05 5.00 1.50 0.00 -1.26 -3.80 105.19 111.67 2kpw n GLY 49 Ca -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.71 0.00 -4.65 1.61 2.03 -1.26 -4.93 116.55 107.64 2kpw n ASP 50 Ca -0.09 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.91 2kpw n ASP 50 Cb 0.57 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.14 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 0.00 2.18 -0.07 5.18 -1.32 -1.25 -4.90 115.64 115.47 2kpw s THR 51 Ca 0.00 0.06 0.04 0.00 -1.21 0.00 0.00 61.69 60.58 2kpw s THR 51 Cb 0.00 -2.14 0.00 0.00 -1.51 0.00 0.00 72.50 68.85 2kpw s THR 51 CO 0.00 -0.08 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.20 2kpw s SER 52 N -2.73 2.48 -0.05 8.08 1.04 -1.26 -1.25 113.70 120.00 2kpw s SER 52 Ca 0.66 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.71 2kpw s SER 52 Cb -0.22 -0.96 -0.00 0.00 0.10 0.00 0.00 66.02 64.93 2kpw s SER 52 CO 0.59 0.13 -0.19 0.54 0.98 0.00 0.00 173.24 175.29 2kpw s VAL 53 N 0.29 1.60 0.04 5.02 0.11 -0.80 -4.96 120.40 121.70 2kpw s VAL 53 Ca -0.12 -0.80 0.09 0.00 -2.93 0.00 0.00 61.98 58.22 2kpw s VAL 53 Cb -0.15 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.30 2kpw s VAL 53 CO 0.05 0.45 -0.26 -0.94 -3.33 0.00 0.00 175.10 171.07 2kpw s SER 54 N 0.08 3.13 -0.17 3.54 1.04 -1.26 -0.74 113.70 119.33 2kpw s SER 54 Ca -0.06 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 2kpw s SER 54 Cb -0.13 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.69 2kpw s SER 54 CO 0.03 0.26 -0.10 -0.47 0.98 0.00 0.00 173.24 173.94 2kpw s TYR 55 N -0.80 2.87 -0.15 5.02 5.04 -0.14 -4.94 117.35 124.25 2kpw s TYR 55 Ca 0.12 -0.85 -0.17 0.00 -2.44 0.00 0.00 57.07 53.73 2kpw s TYR 55 Cb -0.10 -1.95 -0.04 0.00 0.35 0.00 0.00 41.96 40.22 2kpw s TYR 55 CO 0.02 -0.39 0.44 0.21 -1.34 0.00 0.00 175.55 174.49 2kpw s LYS 56 N 0.85 4.28 0.63 4.97 2.20 -1.26 -1.06 119.74 130.35 2kpw s LYS 56 Ca -0.03 0.34 -0.08 0.00 -0.36 0.00 0.00 55.97 55.85 2kpw s LYS 56 Cb -0.15 -3.46 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2kpw s LYS 56 CO 0.00 0.10 0.97 0.71 -0.36 0.00 0.00 175.35 176.78 2kpw s TYR 57 N 0.82 3.24 0.29 4.03 1.51 0.22 -4.97 117.35 122.50 2kpw s TYR 57 Ca 0.23 0.74 0.01 0.00 -1.01 0.00 0.00 57.07 57.04 2kpw s TYR 57 Cb -0.15 -2.87 -0.02 0.00 -0.11 0.00 0.00 41.96 38.81 2kpw s TYR 57 CO 0.09 -0.98 0.31 -0.08 -1.11 0.00 0.00 175.55 173.77 2kpw s THR 58 N -3.12 0.00 -0.28 -0.71 -1.32 -1.25 -4.35 115.64 104.61 2kpw s THR 58 Ca 0.56 -1.85 0.02 0.00 -1.21 0.00 0.00 61.69 59.20 2kpw s THR 58 Cb -0.11 -2.52 0.08 0.00 -1.51 0.00 0.00 72.50 68.44 2kpw s THR 58 CO 0.47 0.00 -0.02 -0.55 -2.21 0.00 0.00 174.62 172.31 2kpw s SER 59 N -3.26 4.28 0.00 8.08 0.15 -1.26 -4.48 113.70 117.22 2kpw s SER 59 Ca 0.36 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2kpw s SER 59 Cb 0.03 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2kpw s SER 59 CO 0.20 -0.29 0.88 -2.11 1.20 0.00 0.00 173.24 173.12 2kpw n ARG 60 N 4.51 0.00 -3.82 5.44 1.85 -1.26 -5.10 116.66 118.28 2kpw n ARG 60 Ca -0.07 -0.87 -0.06 0.00 -1.00 0.00 0.00 57.85 55.86 2kpw n ARG 60 Cb 0.43 -0.49 -0.01 0.00 -1.05 0.00 0.00 32.46 31.34 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 0.00 -0.10 -0.22 2.89 1.13 -1.26 -4.84 117.35 114.95 2kpw s TYR 61 Ca 0.00 -0.34 0.02 0.00 -1.41 0.00 0.00 57.07 55.34 2kpw s TYR 61 Cb 0.00 0.71 0.04 0.00 -1.10 0.00 0.00 41.96 41.61 2kpw s TYR 61 CO 0.00 -1.13 -0.14 0.08 -2.51 0.00 0.00 175.55 171.85 2kpw s VAL 62 N -3.31 2.04 0.07 -3.49 1.01 -1.26 -4.44 120.40 111.02 2kpw s VAL 62 Ca 0.13 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 60.54 2kpw s VAL 62 Cb -0.04 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 2kpw s VAL 62 CO 0.06 0.22 1.23 -0.22 0.00 0.00 0.00 175.10 176.39 2kpw s LEU 63 N 1.22 4.37 0.51 3.92 1.98 0.11 -4.83 118.68 125.97 2kpw s LEU 63 Ca -0.02 2.06 -0.20 0.00 -2.89 0.00 0.00 54.13 53.08 2kpw s LEU 63 Cb -0.17 -3.58 -0.07 0.00 0.66 0.00 0.00 46.19 43.03 2kpw s LEU 63 CO -0.09 -0.50 1.10 -0.54 -1.89 0.00 0.00 176.35 174.44 2kpw s LYS 64 N 1.06 3.57 0.08 1.98 1.02 -1.26 -0.94 119.74 125.24 2kpw s LYS 64 Ca 0.60 1.53 -0.31 0.00 0.02 0.00 0.00 55.97 57.81 2kpw s LYS 64 Cb -0.31 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 34.82 2kpw s LYS 64 CO 0.29 -0.66 1.90 0.00 -0.92 0.00 0.00 175.35 175.97 2kpw n ALA 65 N -1.08 1.85 -0.92 5.17 0.00 -1.26 -1.58 120.51 122.69 2kpw n ALA 65 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2kpw n ALA 65 Cb 0.51 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 4.37 0.84 3.81 0.00 0.00 -0.96 -5.00 105.19 108.24 2kpw n GLY 66 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.16 4.26 -0.06 1.61 2.00 -0.61 -4.69 119.66 122.00 2kpw s GLN 67 Ca 0.00 1.22 -0.16 0.00 -2.00 0.00 0.00 55.36 54.41 2kpw s GLN 67 Cb 0.00 -2.34 -0.05 0.00 0.80 0.00 0.00 33.01 31.43 2kpw s GLN 67 CO 0.00 -0.01 0.44 0.95 -0.50 0.00 0.00 175.29 176.17 2kpw s THR 68 N -2.00 5.11 -0.31 -0.34 -4.23 -1.26 -0.86 115.64 111.75 2kpw s THR 68 Ca 0.60 0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 61.93 2kpw s THR 68 Cb -0.13 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 69.97 2kpw s THR 68 CO 0.17 0.45 0.08 0.54 -0.54 0.00 0.00 174.62 175.32 2kpw s VAL 69 N -0.17 3.82 -0.20 2.29 0.11 0.12 -4.94 120.40 121.43 2kpw s VAL 69 Ca 0.24 -0.90 -0.19 0.00 -2.93 0.00 0.00 61.98 58.21 2kpw s VAL 69 Cb -0.16 -3.04 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 2kpw s VAL 69 CO 0.11 -0.02 0.53 -0.89 -3.33 0.00 0.00 175.10 171.51 2kpw s THR 70 N 1.45 5.09 -0.66 5.04 2.01 -1.26 -1.00 115.64 126.31 2kpw s THR 70 Ca 0.01 0.98 -0.21 0.00 0.31 0.00 0.00 61.69 62.78 2kpw s THR 70 Cb -0.18 -3.86 0.08 0.00 0.01 0.00 0.00 72.50 68.56 2kpw s THR 70 CO 0.02 0.16 0.90 -0.63 -0.69 0.00 0.00 174.62 174.39 2kpw s ILE 71 N 1.69 4.50 0.57 1.82 -1.09 0.26 -1.52 121.20 127.43 2kpw s ILE 71 Ca 0.25 -0.64 -0.07 0.00 -2.23 0.00 0.00 60.65 57.95 2kpw s ILE 71 Cb -0.15 -4.64 -0.02 0.00 -1.58 0.00 0.00 42.46 36.07 2kpw s ILE 71 CO 0.10 -1.37 0.91 0.26 -1.23 0.00 0.00 174.94 173.61 2kpw s TRP 72 N 3.56 3.47 0.63 3.97 0.52 0.44 -0.62 118.94 130.90 2kpw s TRP 72 Ca 0.20 0.91 -0.05 0.00 0.02 0.00 0.00 56.10 57.18 2kpw s TRP 72 Cb -0.18 -2.60 0.03 0.00 -1.15 0.00 0.00 33.47 29.57 2kpw s TRP 72 CO 0.08 -0.62 0.92 0.00 0.02 0.00 0.00 176.95 177.34 2kpw s ALA 73 N -2.98 3.35 0.10 0.98 0.00 -0.05 0.44 121.76 123.59 2kpw s ALA 73 Ca 0.52 -0.91 -0.32 0.00 0.00 0.00 0.00 51.96 51.25 2kpw s ALA 73 Cb -0.11 -2.50 -0.14 0.00 0.00 0.00 0.00 23.12 20.38 2kpw s ALA 73 CO 0.48 -0.99 1.51 0.00 0.00 0.00 0.00 175.76 176.76 2kpw h ALA 74 N -0.30 -0.97 -0.55 0.00 0.00 -0.76 -2.14 119.26 114.54 2kpw h ALA 74 Ca -0.44 -0.11 -0.40 0.00 0.00 0.00 0.00 54.91 53.96 2kpw h ALA 74 Cb 1.29 0.87 -0.16 0.00 0.00 0.00 0.00 17.79 19.78 2kpw h ALA 74 CO 0.59 -1.09 0.48 0.09 0.00 0.00 0.00 179.25 179.31 2kpw n ASN 75 N -5.25 6.64 0.06 0.00 3.02 -1.26 -4.42 115.26 114.04 2kpw n ASN 75 Ca -0.08 -3.18 0.11 0.00 -0.03 0.00 0.00 54.58 51.40 2kpw n ASN 75 Cb 0.38 -1.08 0.46 0.00 -0.61 0.00 0.00 39.78 38.94 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kpw n ALA 76 N 0.26 1.98 0.00 5.41 0.00 -0.80 -4.93 120.51 122.43 2kpw n ALA 76 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2kpw n ALA 76 Cb 0.58 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.69 2.50 3.43 0.00 0.00 -1.26 -5.00 105.19 105.55 2kpw n GLY 77 Ca 0.05 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 2kpw n GLY 77 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kpw s VAL 78 N -0.41 1.90 0.15 1.61 -7.23 -1.26 -4.88 120.40 110.28 2kpw s VAL 78 Ca 0.00 0.00 -0.34 0.00 -1.81 0.00 0.00 61.98 59.83 2kpw s VAL 78 Cb 0.00 -2.01 -0.14 0.00 0.56 0.00 0.00 36.38 34.78 2kpw s VAL 78 CO 0.00 0.00 1.52 0.41 -0.31 0.00 0.00 175.10 176.72 2kpw n THR 79 N -5.15 0.05 1.80 5.32 -1.04 -1.26 -4.85 114.28 109.15 2kpw n THR 79 Ca 0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2kpw n THR 79 Cb 0.55 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 2kpw n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kpw n ALA 80 N 3.16 2.41 -3.58 2.41 0.00 -1.26 -4.75 120.51 118.90 2kpw n ALA 80 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 2kpw n ALA 80 Cb 0.27 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.06 -0.55 1.13 0.00 0.15 -1.26 -4.77 113.70 107.34 2kpw s SER 81 Ca 0.00 0.96 -0.15 0.00 0.70 0.00 0.00 55.95 57.46 2kpw s SER 81 Cb 0.00 0.88 0.23 0.00 -1.71 0.00 0.00 66.02 65.43 2kpw s SER 81 CO 0.00 -0.19 0.53 -2.65 1.20 0.00 0.00 173.24 172.13 2kpw n PRO 82 N 3.83 -2.65 -3.10 5.44 -0.02 -1.26 -4.75 135.00 132.50 2kpw n PRO 82 Ca -0.20 -0.88 -0.44 0.00 -2.02 0.00 0.00 63.50 59.95 2kpw n PRO 82 Cb 0.56 -1.39 -0.05 0.00 -0.02 0.00 0.00 33.50 32.60 2kpw n PRO 82 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kpw s PRO 83 N -3.88 3.08 0.45 0.52 0.04 -1.26 -5.03 135.00 128.92 2kpw s PRO 83 Ca 0.41 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 60.31 2kpw s PRO 83 Cb -0.07 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2kpw s PRO 83 CO 0.34 -1.48 0.00 0.25 0.04 0.00 0.00 177.00 176.15 2kpw n THR 84 N 5.61 0.00 -3.89 1.26 -2.24 -1.26 -5.13 114.28 108.63 2kpw n THR 84 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2kpw n THR 84 Cb 0.44 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2kpw n THR 84 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kpw n ASP 85 N -3.43 1.79 -3.90 3.42 9.92 -1.26 -4.84 116.55 118.24 2kpw n ASP 85 Ca 0.00 -0.89 -0.30 0.00 -0.53 0.00 0.00 54.79 53.07 2kpw n ASP 85 Cb 0.00 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.32 2kpw n ASP 85 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2kpw s LEU 86 N 0.00 2.47 -0.45 0.64 1.43 -0.58 -4.18 118.68 118.02 2kpw s LEU 86 Ca 0.00 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 51.71 2kpw s LEU 86 Cb 0.00 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 45.16 2kpw s LEU 86 CO 0.00 -0.27 0.50 -0.63 0.23 0.00 0.00 176.35 176.18 2kpw s ILE 87 N 1.45 5.03 -1.12 -0.59 1.09 -1.26 -0.42 121.20 125.37 2kpw s ILE 87 Ca -0.03 -0.39 -0.22 0.00 -1.10 0.00 0.00 60.65 58.91 2kpw s ILE 87 Cb -0.18 -4.12 -0.01 0.00 -1.06 0.00 0.00 42.46 37.08 2kpw s ILE 87 CO -0.08 -0.54 1.80 0.86 -0.10 0.00 0.00 174.94 176.88 2kpw s TRP 88 N 2.27 2.25 -2.00 3.97 -0.00 0.17 -4.79 118.94 120.80 2kpw s TRP 88 Ca 0.13 -0.29 0.12 0.00 -0.00 0.00 0.00 56.10 56.06 2kpw s TRP 88 Cb -0.18 -4.34 0.74 0.00 -0.00 0.00 0.00 33.47 29.70 2kpw s TRP 88 CO 0.13 -1.61 1.24 1.63 -0.00 0.00 0.00 176.95 178.33 2kpw n LYS 89 N 8.55 0.65 0.03 5.86 5.02 -1.26 -2.42 118.16 134.58 2kpw n LYS 89 Ca 0.43 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.83 2kpw n LYS 89 Cb 0.47 -1.30 0.09 0.00 -0.02 0.00 0.00 35.03 34.28 2kpw n LYS 89 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kpw n ASN 90 N -0.80 0.63 -3.71 4.39 4.13 -1.26 -4.74 115.26 113.90 2kpw n ASN 90 Ca 0.09 -0.20 -0.10 0.00 1.68 0.00 0.00 54.58 56.05 2kpw n ASN 90 Cb 0.04 0.56 -0.06 0.00 -1.54 0.00 0.00 39.78 38.79 2kpw n ASN 90 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2kpw s GLN 91 N -3.14 0.97 0.00 3.52 0.74 -1.16 -5.05 119.66 115.55 2kpw s GLN 91 Ca 0.06 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.74 2kpw s GLN 91 Cb 0.15 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.68 2kpw s GLN 91 CO 0.77 -0.35 0.00 0.09 -0.55 0.00 0.00 175.29 175.24 2kpw n ASN 92 N -0.05 0.98 -4.69 6.67 3.02 -1.26 -1.10 115.26 118.83 2kpw n ASN 92 Ca -0.16 -0.95 -0.33 0.00 -0.03 0.00 0.00 54.58 53.10 2kpw n ASN 92 Cb 0.63 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.93 2kpw n ASN 92 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2kpw s SER 93 N -0.95 3.46 0.20 6.41 0.01 -1.26 -4.88 113.70 116.68 2kpw s SER 93 Ca 0.00 2.36 0.07 0.00 1.31 0.00 0.00 55.95 59.69 2kpw s SER 93 Cb 0.00 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2kpw s SER 93 CO 0.00 -2.76 -0.13 -1.66 0.41 0.00 0.00 173.24 169.10 2kpw s TRP 94 N -2.20 1.64 -0.38 2.43 -2.14 -1.23 -5.06 118.94 112.00 2kpw s TRP 94 Ca 0.73 -0.61 0.09 0.00 2.66 0.00 0.00 56.10 58.96 2kpw s TRP 94 Cb -0.28 -0.78 0.36 0.00 -3.10 0.00 0.00 33.47 29.67 2kpw s TRP 94 CO 0.52 0.30 1.35 0.41 -2.66 0.00 0.00 176.95 176.87 2kpw n GLY 95 N -0.36 1.25 0.28 3.67 0.00 -1.26 -4.36 105.19 104.40 2kpw n GLY 95 Ca -0.08 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 45.97 2kpw n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpw h THR 96 N 2.10 0.34 0.00 2.61 1.03 -2.00 -3.46 112.91 113.53 2kpw h THR 96 Ca -0.32 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 65.60 2kpw h THR 96 Cb 1.29 1.35 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 2kpw h THR 96 CO -0.09 0.08 0.00 0.61 -0.01 0.00 0.00 175.52 176.10 2kpw n GLY 97 N -0.54 2.22 3.91 2.99 0.00 -1.26 -4.99 105.19 107.52 2kpw n GLY 97 Ca -0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 2.03 0.80 1.61 0.41 -1.26 -5.08 118.70 117.21 2kpw s GLU 98 Ca 0.00 -0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 54.38 2kpw s GLU 98 Cb 0.00 -2.04 0.07 0.00 -1.78 0.00 0.00 34.13 30.38 2kpw s GLU 98 CO 0.00 -1.46 1.09 0.16 -0.49 0.00 0.00 175.26 174.56 2kpw s ASP 99 N -4.56 4.44 -0.06 -0.19 -4.77 -1.26 -4.99 116.67 105.28 2kpw s ASP 99 Ca 0.61 1.38 -0.06 0.00 -3.30 0.00 0.00 52.55 51.18 2kpw s ASP 99 Cb -0.11 -2.12 0.02 0.00 -1.09 0.00 0.00 42.92 39.62 2kpw s ASP 99 CO 0.47 -2.01 0.17 0.54 0.70 0.00 0.00 175.17 175.04 2kpw s VAL 100 N -3.11 0.00 -0.17 2.11 0.11 -1.26 -4.57 120.40 113.51 2kpw s VAL 100 Ca 0.61 -0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.59 2kpw s VAL 100 Cb -0.15 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 2kpw s VAL 100 CO 0.55 -0.01 -0.00 -0.75 -3.33 0.00 0.00 175.10 171.55 2kpw s LYS 101 N 0.04 3.75 -0.07 1.54 2.20 -1.22 -1.17 119.74 124.80 2kpw s LYS 101 Ca -0.00 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.16 2kpw s LYS 101 Cb -0.01 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2kpw s LYS 101 CO 0.00 0.21 -0.14 0.54 -0.36 0.00 0.00 175.35 175.60 2kpw s VAL 102 N 0.49 3.08 -0.01 4.02 0.11 0.23 -1.02 120.40 127.31 2kpw s VAL 102 Ca -0.01 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 58.39 2kpw s VAL 102 Cb -0.14 -2.23 -0.03 0.00 -1.53 0.00 0.00 36.38 32.45 2kpw s VAL 102 CO 0.02 0.57 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.59 2kpw s ILE 103 N -0.40 3.05 -0.27 7.04 -1.09 0.74 -1.53 121.20 128.76 2kpw s ILE 103 Ca 0.04 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.59 2kpw s ILE 103 Cb -0.12 -2.25 0.07 0.00 -1.58 0.00 0.00 42.46 38.58 2kpw s ILE 103 CO 0.02 0.47 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.39 2kpw s LEU 104 N -1.09 3.25 -0.08 2.97 1.43 -0.97 -1.09 118.68 123.10 2kpw s LEU 104 Ca 0.14 -1.45 0.02 0.00 -1.03 0.00 0.00 54.13 51.81 2kpw s LEU 104 Cb -0.11 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 2kpw s LEU 104 CO 0.03 -0.25 -0.14 -0.54 0.23 0.00 0.00 176.35 175.68 2kpw s LYS 105 N 1.21 2.81 -0.47 1.70 1.02 -1.07 -3.29 119.74 121.65 2kpw s LYS 105 Ca -0.03 -0.69 -0.20 0.00 0.02 0.00 0.00 55.97 55.07 2kpw s LYS 105 Cb -0.19 -2.46 0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2kpw s LYS 105 CO -0.07 0.48 0.61 -0.80 -0.92 0.00 0.00 175.35 174.65 2kpw s ASN 106 N -0.36 6.26 0.00 2.83 -0.87 0.58 -1.64 114.94 121.74 2kpw s ASN 106 Ca 0.04 -0.64 0.00 0.00 -1.57 0.00 0.00 52.86 50.69 2kpw s ASN 106 Cb -0.12 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 2kpw s ASN 106 CO 0.02 -0.80 0.00 -0.24 -2.57 0.00 0.00 177.10 173.51 2kpw n SER 107 N 6.14 0.00 0.00 -1.22 2.88 0.44 -3.53 113.62 118.33 2kpw n SER 107 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2kpw n SER 107 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2kpw n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kpw n GLN 108 N 0.00 0.00 0.00 -1.46 6.02 -1.26 -4.97 117.38 115.71 2kpw n GLN 108 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2kpw n GLN 108 Cb 0.00 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.38 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 2.08 0.00 3.53 1.08 0.00 -1.23 -5.13 105.19 105.51 2kpw n GLY 109 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2kpw n GLY 109 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kpw n GLU 110 N -0.07 0.59 -5.04 1.61 0.28 -1.26 -4.66 120.64 112.09 2kpw n GLU 110 Ca 0.00 0.21 -0.32 0.00 -0.16 0.00 0.00 57.16 56.90 2kpw n GLU 110 Cb 0.00 -1.65 -0.17 0.00 1.43 0.00 0.00 31.44 31.05 2kpw n GLU 110 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kpw s GLU 111 N -0.23 2.94 -0.01 3.44 2.12 -1.26 -0.31 118.70 125.38 2kpw s GLU 111 Ca 0.79 -0.84 -0.02 0.00 0.36 0.00 0.00 54.97 55.27 2kpw s GLU 111 Cb -1.02 -2.26 -0.27 0.00 0.26 0.00 0.00 34.13 30.84 2kpw s GLU 111 CO 0.54 0.12 0.79 -0.39 -0.54 0.00 0.00 175.26 175.77 2kpw h VAL 112 N 5.76 1.07 -1.38 3.70 -1.51 -1.93 -3.49 116.25 118.46 2kpw h VAL 112 Ca -0.23 -2.74 0.20 0.00 -1.23 0.00 0.00 66.70 62.70 2kpw h VAL 112 Cb 1.22 2.69 -0.23 0.00 -2.13 0.00 0.00 31.29 32.85 2kpw h VAL 112 CO 0.49 0.79 0.78 0.00 -1.23 0.00 0.00 177.57 178.41 2kpw s ALA 113 N -2.61 -2.04 -0.02 5.19 0.00 -1.26 -5.10 121.76 115.92 2kpw s ALA 113 Ca -0.10 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2kpw s ALA 113 Cb 0.07 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.48 2kpw s ALA 113 CO 0.84 -0.40 0.02 1.14 0.00 0.00 0.00 175.76 177.36 2kpw s GLN 114 N -1.62 0.02 0.01 0.00 -2.07 -1.26 -2.30 119.66 112.43 2kpw s GLN 114 Ca 0.06 0.17 -0.02 0.00 -1.82 0.00 0.00 55.36 53.74 2kpw s GLN 114 Cb -0.01 -0.29 -0.01 0.00 -1.09 0.00 0.00 33.01 31.61 2kpw s GLN 114 CO -0.04 -0.16 0.03 0.50 -1.32 0.00 0.00 175.29 174.30 2kpw s ARG 115 N 1.05 0.32 0.41 9.60 3.52 -0.58 -5.00 118.95 128.27 2kpw s ARG 115 Ca -0.09 -0.44 0.08 0.00 -0.13 0.00 0.00 55.73 55.14 2kpw s ARG 115 Cb -0.13 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.36 2kpw s ARG 115 CO -0.03 -0.06 0.37 -1.54 -0.81 0.00 0.00 175.30 173.23 2kpw s SER 116 N -1.19 5.04 0.11 -2.12 1.04 -1.26 -0.60 113.70 114.73 2kpw s SER 116 Ca -0.13 -0.74 -0.30 0.00 0.48 0.00 0.00 55.95 55.26 2kpw s SER 116 Cb -0.08 -0.58 -0.06 0.00 0.10 0.00 0.00 66.02 65.40 2kpw s SER 116 CO -0.00 -0.64 1.01 0.42 0.98 0.00 0.00 173.24 175.01 2kpw s THR 117 N -2.47 4.34 0.21 2.02 -4.23 -0.32 -4.95 115.64 110.24 2kpw s THR 117 Ca 0.48 1.92 -0.30 0.00 -1.18 0.00 0.00 61.69 62.61 2kpw s THR 117 Cb -0.03 -4.23 -0.08 0.00 1.34 0.00 0.00 72.50 69.50 2kpw s THR 117 CO 0.28 0.28 1.20 -0.69 -0.54 0.00 0.00 174.62 175.15 2kpw s VAL 118 N 0.10 3.46 -1.01 2.29 1.01 -1.26 -4.75 120.40 120.24 2kpw s VAL 118 Ca 0.49 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.50 2kpw s VAL 118 Cb -0.25 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2kpw s VAL 118 CO 0.31 0.22 1.91 -0.36 0.00 0.00 0.00 175.10 177.18 2kpw s PHE 119 N -0.25 1.93 -0.46 5.22 0.08 -1.26 -4.92 117.98 118.32 2kpw s PHE 119 Ca 0.52 0.42 -0.18 0.00 0.12 0.00 0.00 56.93 57.81 2kpw s PHE 119 Cb -0.33 -4.09 0.04 0.00 -0.57 0.00 0.00 43.02 38.07 2kpw s PHE 119 CO 0.38 -1.59 0.51 0.21 -0.10 0.00 0.00 175.22 174.64 2kpw s LYS 120 N 6.63 3.09 0.15 0.44 2.20 -1.26 -4.92 119.74 126.06 2kpw s LYS 120 Ca 0.68 -0.89 0.24 0.00 -0.36 0.00 0.00 55.97 55.64 2kpw s LYS 120 Cb -0.04 -4.04 0.40 0.00 -1.51 0.00 0.00 37.83 32.64 2kpw s LYS 120 CO 0.03 -1.02 1.39 1.79 -0.36 0.00 0.00 175.35 177.18 2kpw h THR 121 N 5.79 0.00 0.00 3.43 1.35 -2.06 -3.54 112.91 117.88 2kpw h THR 121 Ca -0.27 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2kpw h THR 121 Cb 1.10 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2kpw h THR 121 CO 0.87 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 176.55