#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 -3.60 0.00 3.03 0.00 -1.26 -4.84 105.19 98.51 2kpw n GLY 2 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.27 2kpw n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kpw n HIS 3 N 0.47 0.00 -1.67 1.61 -0.00 -1.26 -4.64 115.22 109.73 2kpw n HIS 3 Ca -0.12 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.15 2kpw n HIS 3 Cb 0.18 -0.47 -0.04 0.00 -0.00 0.00 0.00 29.99 29.67 2kpw n HIS 3 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kpw n HIS 4 N -1.47 2.43 -3.58 -1.40 -0.00 -1.26 -4.96 115.22 104.98 2kpw n HIS 4 Ca 0.01 -0.21 -0.36 0.00 -0.00 0.00 0.00 57.72 57.16 2kpw n HIS 4 Cb 0.04 -2.74 -0.08 0.00 -0.00 0.00 0.00 29.99 27.21 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 4.31 3.41 -0.34 -1.40 0.09 -1.26 -5.06 115.29 115.05 2kpw s HIS 5 Ca 0.91 0.47 -0.29 0.00 -0.00 0.00 0.00 55.06 56.15 2kpw s HIS 5 Cb -0.56 -2.31 0.01 0.00 -0.00 0.00 0.00 32.58 29.72 2kpw s HIS 5 CO 0.47 0.18 1.16 -1.58 -0.00 0.00 0.00 174.74 174.97 2kpw s HIS 6 N 0.67 2.95 -0.15 1.40 5.04 -1.26 -5.03 115.29 118.90 2kpw s HIS 6 Ca 0.13 1.02 -0.10 0.00 -1.54 0.00 0.00 55.06 54.57 2kpw s HIS 6 Cb -0.13 -3.88 -0.05 0.00 0.04 0.00 0.00 32.58 28.57 2kpw s HIS 6 CO 0.03 -1.15 0.18 -1.01 -2.34 0.00 0.00 174.74 170.45 2kpw s HIS 7 N 4.01 3.50 -0.80 3.88 3.76 -1.26 -5.01 115.29 123.38 2kpw s HIS 7 Ca 0.49 0.48 -0.24 0.00 -0.15 0.00 0.00 55.06 55.65 2kpw s HIS 7 Cb -0.13 -2.12 -0.16 0.00 1.11 0.00 0.00 32.58 31.28 2kpw s HIS 7 CO 0.20 0.46 2.39 -2.39 -0.85 0.00 0.00 174.74 174.56 2kpw n HIS 8 N 2.88 1.05 -3.97 1.40 -0.00 -1.26 -4.86 115.22 110.46 2kpw n HIS 8 Ca -0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2kpw n HIS 8 Cb 0.53 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.14 2kpw n HIS 8 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2kpw n SER 9 N 17.04 1.33 -4.64 4.39 3.41 -1.26 -5.13 113.62 128.75 2kpw n SER 9 Ca 0.49 -0.97 -0.38 0.00 -0.26 0.00 0.00 58.87 57.75 2kpw n SER 9 Cb 0.40 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.26 2kpw n SER 9 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2kpw s HIS 10 N -1.28 3.31 -0.41 7.33 0.09 -1.26 -5.05 115.29 118.01 2kpw s HIS 10 Ca 0.00 0.41 -0.27 0.00 -0.00 0.00 0.00 55.06 55.21 2kpw s HIS 10 Cb 0.00 -2.45 0.02 0.00 -0.00 0.00 0.00 32.58 30.15 2kpw s HIS 10 CO 0.00 -0.06 0.98 -1.64 -0.00 0.00 0.00 174.74 174.02 2kpw s MET 11 N 1.48 3.76 -0.00 1.40 1.00 -1.26 -4.92 119.30 120.76 2kpw s MET 11 Ca 0.14 0.51 0.11 0.00 0.00 0.00 0.00 55.69 56.45 2kpw s MET 11 Cb -0.15 -3.85 0.33 0.00 0.00 0.00 0.00 34.83 31.17 2kpw s MET 11 CO 0.08 -1.10 1.27 0.25 0.00 0.00 0.00 175.02 175.52 2kpw n THR 12 N 6.25 0.52 -2.15 2.05 -2.24 -1.26 -4.83 114.28 112.61 2kpw n THR 12 Ca 0.08 -0.51 -0.30 0.00 -2.27 0.00 0.00 64.05 61.06 2kpw n THR 12 Cb 0.48 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.99 0.40 -1.15 3.38 0.00 -1.21 -4.89 107.32 102.86 2kpw s GLY 13 Ca 0.25 -1.75 -0.23 0.00 0.00 0.00 0.00 44.72 42.99 2kpw s GLY 13 CO 0.17 3.34 1.97 -1.31 0.00 0.00 0.00 173.10 177.27 2kpw s ASN 14 N 7.23 4.76 -0.42 1.64 0.01 -1.26 -4.86 114.94 122.03 2kpw s ASN 14 Ca 0.65 -1.47 -0.16 0.00 -0.71 0.00 0.00 52.86 51.17 2kpw s ASN 14 Cb -0.05 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 39.05 2kpw s ASN 14 CO -0.00 -3.35 0.36 -0.69 -1.51 0.00 0.00 177.10 171.90 2kpw s VAL 15 N 12.01 5.20 0.47 1.60 1.01 -1.26 0.18 120.40 139.60 2kpw s VAL 15 Ca 0.71 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2kpw s VAL 15 Cb -0.02 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2kpw s VAL 15 CO 0.13 -0.37 0.41 0.00 0.00 0.00 0.00 175.10 175.26 2kpw s ILE 17 N -2.58 4.96 -0.06 0.00 1.01 -1.26 0.13 121.20 123.39 2kpw s ILE 17 Ca 0.45 1.18 -0.25 0.00 0.00 0.00 0.00 60.65 62.02 2kpw s ILE 17 Cb -0.03 -3.97 -0.23 0.00 0.01 0.00 0.00 42.46 38.24 2kpw s ILE 17 CO 0.26 -0.00 1.02 -0.08 0.00 0.00 0.00 174.94 176.14 2kpw h GLU 18 N 7.89 0.11 -2.64 2.79 4.81 -0.75 -3.47 114.58 123.32 2kpw h GLU 18 Ca -0.26 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 2kpw h GLU 18 Cb 1.12 0.03 -0.17 0.00 0.63 0.00 0.00 28.75 30.36 2kpw h GLU 18 CO 0.79 0.86 0.04 -2.00 -0.73 0.00 0.00 179.01 177.97 2kpw s GLU 19 N -3.15 1.01 -0.13 1.92 2.56 -0.84 -5.04 118.70 115.02 2kpw s GLU 19 Ca -0.16 -0.13 0.03 0.00 0.00 0.00 0.00 54.97 54.70 2kpw s GLU 19 Cb 0.00 0.46 0.01 0.00 2.00 0.00 0.00 34.13 36.60 2kpw s GLU 19 CO 0.72 -0.35 -0.22 0.42 -0.56 0.00 0.00 175.26 175.27 2kpw s ILE 20 N -2.09 2.07 0.41 -3.70 1.01 -1.26 -0.40 121.20 117.24 2kpw s ILE 20 Ca -0.07 -0.99 -0.25 0.00 0.00 0.00 0.00 60.65 59.34 2kpw s ILE 20 Cb -0.01 -1.82 -0.08 0.00 0.01 0.00 0.00 42.46 40.56 2kpw s ILE 20 CO 0.01 0.55 1.21 -0.62 0.00 0.00 0.00 174.94 176.09 2kpw s ASP 21 N 0.71 6.40 0.02 3.58 2.15 -0.51 -4.83 116.67 124.19 2kpw s ASP 21 Ca -0.10 2.44 0.22 0.00 0.43 0.00 0.00 52.55 55.54 2kpw s ASP 21 Cb -0.16 -2.62 -0.24 0.00 -0.30 0.00 0.00 42.92 39.60 2kpw s ASP 21 CO 0.01 -0.77 0.65 0.55 -0.17 0.00 0.00 175.17 175.44 2kpw n VAL 22 N 0.02 0.14 -0.21 1.11 3.14 -1.26 -4.25 118.33 117.01 2kpw n VAL 22 Ca 0.04 -0.47 -0.06 0.00 -2.96 0.00 0.00 64.34 60.89 2kpw n VAL 22 Cb 0.46 -0.01 0.09 0.00 -1.06 0.00 0.00 33.84 33.32 2kpw n VAL 22 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2kpw h ASP 23 N 0.00 0.98 0.00 6.55 1.82 -1.94 -3.47 116.42 120.36 2kpw h ASP 23 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2kpw h ASP 23 Cb 0.96 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.71 2kpw h ASP 23 CO 0.00 0.97 0.00 0.61 -1.61 0.00 0.00 179.24 179.21 2kpw n GLY 24 N -0.68 1.94 0.67 -0.78 0.00 -1.26 -4.88 105.19 100.20 2kpw n GLY 24 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 2kpw n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kpw n LYS 25 N -0.16 0.14 -4.39 1.61 5.02 -1.26 -1.34 118.16 117.77 2kpw n LYS 25 Ca 0.00 0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.09 2kpw n LYS 25 Cb 0.00 -0.64 -0.12 0.00 -0.02 0.00 0.00 35.03 34.25 2kpw n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2kpw s PHE 26 N -1.93 2.16 -0.24 2.13 -0.12 -1.26 -0.37 117.98 118.35 2kpw s PHE 26 Ca -0.08 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.43 2kpw s PHE 26 Cb 0.01 -1.08 0.06 0.00 -0.63 0.00 0.00 43.02 41.38 2kpw s PHE 26 CO 0.11 0.44 -0.08 0.42 -0.05 0.00 0.00 175.22 176.06 2kpw s ILE 27 N -1.70 1.77 -0.32 -4.49 1.01 0.31 -1.42 121.20 116.35 2kpw s ILE 27 Ca 0.18 -1.33 -0.19 0.00 0.00 0.00 0.00 60.65 59.31 2kpw s ILE 27 Cb -0.08 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2kpw s ILE 27 CO 0.09 -0.03 0.56 -0.60 0.00 0.00 0.00 174.94 174.95 2kpw s ARG 28 N 1.29 3.80 0.67 2.79 3.52 0.47 -0.36 118.95 131.13 2kpw s ARG 28 Ca -0.06 0.10 0.05 0.00 -0.13 0.00 0.00 55.73 55.69 2kpw s ARG 28 Cb -0.19 -3.75 0.12 0.00 -1.56 0.00 0.00 34.95 29.57 2kpw s ARG 28 CO -0.06 -0.58 0.92 -0.51 -0.81 0.00 0.00 175.30 174.26 2kpw s LEU 29 N 2.49 2.97 -0.30 -0.88 1.02 0.34 -0.13 118.68 124.19 2kpw s LEU 29 Ca 0.22 -0.74 -0.14 0.00 0.02 0.00 0.00 54.13 53.50 2kpw s LEU 29 Cb -0.15 -1.57 0.14 0.00 0.02 0.00 0.00 46.19 44.63 2kpw s LEU 29 CO 0.12 -1.69 0.83 -0.75 0.02 0.00 0.00 176.35 174.88 2kpw s LYS 30 N -4.93 0.46 -0.80 1.70 2.20 0.35 -1.87 119.74 116.85 2kpw s LYS 30 Ca 0.65 1.03 -0.25 0.00 -0.36 0.00 0.00 55.97 57.04 2kpw s LYS 30 Cb -0.05 0.48 -0.00 0.00 -1.51 0.00 0.00 37.83 36.75 2kpw s LYS 30 CO 0.42 -0.14 1.67 1.21 -0.36 0.00 0.00 175.35 178.16 2kpw s ASN 31 N 2.30 5.67 -1.06 1.43 2.47 -0.66 -0.67 114.94 124.41 2kpw s ASN 31 Ca -0.06 -0.46 -0.21 0.00 0.42 0.00 0.00 52.86 52.55 2kpw s ASN 31 Cb -0.07 -2.55 0.08 0.00 -1.45 0.00 0.00 41.25 37.25 2kpw s ASN 31 CO -0.18 -2.19 1.44 0.42 -3.72 0.00 0.00 177.10 172.87 2kpw s THR 32 N 7.80 4.17 0.33 -5.21 -4.23 0.13 0.20 115.64 118.83 2kpw s THR 32 Ca 0.57 -1.22 -0.13 0.00 -1.18 0.00 0.00 61.69 59.73 2kpw s THR 32 Cb -0.08 -5.02 0.03 0.00 1.34 0.00 0.00 72.50 68.77 2kpw s THR 32 CO 0.08 -1.86 0.65 -0.94 -0.54 0.00 0.00 174.62 172.01 2kpw s SER 33 N 4.48 0.15 0.00 3.99 1.04 -1.26 -4.70 113.70 117.41 2kpw s SER 33 Ca 0.45 -1.09 0.20 0.00 0.48 0.00 0.00 55.95 55.99 2kpw s SER 33 Cb -0.00 0.74 0.32 0.00 0.10 0.00 0.00 66.02 67.17 2kpw s SER 33 CO -0.06 -1.44 1.28 -0.62 0.98 0.00 0.00 173.24 173.38 2kpw n GLU 34 N -0.50 2.22 -3.77 4.02 1.02 -1.26 -4.17 120.64 118.20 2kpw n GLU 34 Ca -0.04 -2.04 -0.12 0.00 -0.02 0.00 0.00 57.16 54.94 2kpw n GLU 34 Cb 0.60 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 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 -1.45 0.76 -0.04 3.49 0.74 -1.26 -4.98 119.66 116.93 2kpw s GLN 35 Ca 0.32 -0.44 -0.30 0.00 0.05 0.00 0.00 55.36 54.99 2kpw s GLN 35 Cb 0.19 0.33 -0.08 0.00 1.10 0.00 0.00 33.01 34.55 2kpw s GLN 35 CO 0.27 -0.23 2.05 -0.25 -0.55 0.00 0.00 175.29 176.58 2kpw n ASP 36 N 0.78 3.91 -4.63 6.67 9.92 -1.26 -4.04 116.55 127.89 2kpw n ASP 36 Ca -0.19 0.71 -0.24 0.00 -0.53 0.00 0.00 54.79 54.53 2kpw n ASP 36 Cb 0.58 -1.53 -0.08 0.00 -0.64 0.00 0.00 41.12 39.45 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 4.99 2.09 0.37 -1.24 -1.52 -0.35 -4.96 119.66 119.05 2kpw s GLN 37 Ca 0.92 -1.70 -0.25 0.00 -1.95 0.00 0.00 55.36 52.38 2kpw s GLN 37 Cb -0.41 -1.96 -0.09 0.00 -0.22 0.00 0.00 33.01 30.33 2kpw s GLN 37 CO 0.40 0.17 1.04 -2.14 -0.25 0.00 0.00 175.29 174.51 2kpw s PRO 38 N -3.71 4.31 0.12 2.91 0.02 -1.26 0.58 135.00 137.97 2kpw s PRO 38 Ca 0.34 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 2kpw s PRO 38 Cb -0.01 -2.68 -0.08 0.00 0.02 0.00 0.00 34.50 31.75 2kpw s PRO 38 CO 0.19 -0.01 1.59 1.98 -0.33 0.00 0.00 177.00 180.43 2kpw h MET 39 N 2.81 -0.56 0.00 5.54 1.85 -1.85 -3.21 114.93 119.51 2kpw h MET 39 Ca -0.48 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 2kpw h MET 39 Cb 1.21 0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.37 2kpw h MET 39 CO 0.63 -0.37 0.00 0.41 -0.40 0.00 0.00 176.91 177.18 2kpw n GLY 40 N -1.45 2.49 2.37 1.39 0.00 -1.26 -4.64 105.19 104.10 2kpw n GLY 40 Ca -0.06 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 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 1.28 4.57 3.89 -0.02 0.00 -1.26 -4.40 105.19 109.25 2kpw n GLY 41 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 0.55 2.97 -0.05 1.61 0.52 -1.26 -4.16 118.94 119.12 2kpw s TRP 42 Ca 0.63 0.78 -0.01 0.00 0.02 0.00 0.00 56.10 57.53 2kpw s TRP 42 Cb 0.20 -3.45 0.03 0.00 -1.15 0.00 0.00 33.47 29.10 2kpw s TRP 42 CO -0.08 -1.74 0.02 -2.00 0.02 0.00 0.00 176.95 173.16 2kpw s GLU 43 N -5.55 0.31 -0.46 4.98 2.12 -0.17 -0.87 118.70 119.06 2kpw s GLU 43 Ca 0.62 0.16 -0.20 0.00 0.36 0.00 0.00 54.97 55.91 2kpw s GLU 43 Cb -0.11 -0.65 0.04 0.00 0.26 0.00 0.00 34.13 33.67 2kpw s GLU 43 CO 0.49 -0.23 0.62 1.41 -0.54 0.00 0.00 175.26 177.01 2kpw s MET 44 N 1.60 3.20 -0.34 4.30 -2.45 0.45 -1.69 119.30 124.37 2kpw s MET 44 Ca -0.02 -0.61 -0.15 0.00 -1.25 0.00 0.00 55.69 53.67 2kpw s MET 44 Cb -0.13 -4.01 -0.01 0.00 1.25 0.00 0.00 34.83 31.93 2kpw s MET 44 CO -0.03 -1.08 0.36 0.42 1.05 0.00 0.00 175.02 175.74 2kpw s ILE 45 N 2.71 5.17 -0.78 10.11 1.09 0.48 -0.26 121.20 139.72 2kpw s ILE 45 Ca 0.19 0.06 -0.24 0.00 -1.10 0.00 0.00 60.65 59.56 2kpw s ILE 45 Cb -0.16 -3.81 0.06 0.00 -1.06 0.00 0.00 42.46 37.49 2kpw s ILE 45 CO 0.16 -0.08 1.16 -0.60 -0.10 0.00 0.00 174.94 175.48 2kpw s ARG 46 N 2.01 3.27 -0.12 2.79 3.52 -0.06 -0.64 118.95 129.71 2kpw s ARG 46 Ca 0.12 -0.80 -0.15 0.00 -0.13 0.00 0.00 55.73 54.77 2kpw s ARG 46 Cb -0.17 -4.47 -0.05 0.00 -1.56 0.00 0.00 34.95 28.71 2kpw s ARG 46 CO 0.12 -1.98 0.36 0.15 -0.81 0.00 0.00 175.30 173.13 2kpw s LYS 47 N 4.58 4.20 0.00 5.12 1.02 -0.93 -3.75 119.74 129.99 2kpw s LYS 47 Ca 0.31 0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.55 2kpw s LYS 47 Cb -0.10 -3.39 0.03 0.00 -0.52 0.00 0.00 37.83 33.85 2kpw s LYS 47 CO 0.06 0.30 0.79 1.51 -0.92 0.00 0.00 175.35 177.10 2kpw n ILE 48 N 3.30 0.00 0.00 2.17 3.06 -1.25 -1.54 119.36 125.10 2kpw n ILE 48 Ca -0.11 -0.07 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 2kpw n ILE 48 Cb 0.52 0.32 0.00 0.00 0.54 0.00 0.00 39.64 41.02 2kpw n ILE 48 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2kpw n GLY 49 N 0.04 2.56 0.02 4.50 0.00 -1.26 -4.78 105.19 106.27 2kpw n GLY 49 Ca -0.02 -0.64 -0.00 0.00 0.00 0.00 0.00 46.02 45.36 2kpw n GLY 49 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kpw h ASP 50 N 0.00 0.00 -1.84 1.61 3.32 -1.97 -3.48 116.42 114.05 2kpw h ASP 50 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 2kpw h ASP 50 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 2kpw h ASP 50 CO 0.00 0.20 -0.07 0.28 -1.72 0.00 0.00 179.24 177.93 2kpw s THR 51 N -1.26 2.52 -0.09 0.35 -1.32 -1.26 -5.06 115.64 109.53 2kpw s THR 51 Ca -0.01 -0.79 0.19 0.00 -1.21 0.00 0.00 61.69 59.87 2kpw s THR 51 Cb 0.00 -2.73 0.37 0.00 -1.51 0.00 0.00 72.50 68.63 2kpw s THR 51 CO 0.02 0.00 1.16 -1.54 -2.21 0.00 0.00 174.62 172.05 2kpw n SER 52 N -2.32 0.55 -4.62 8.08 3.41 -1.25 -3.76 113.62 113.70 2kpw n SER 52 Ca 0.11 -2.02 -0.53 0.00 -0.26 0.00 0.00 58.87 56.17 2kpw n SER 52 Cb 0.60 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 2kpw n SER 52 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2kpw n VAL 53 N -0.00 0.08 -4.28 -3.33 3.14 -1.25 -4.31 118.33 108.38 2kpw n VAL 53 Ca -0.02 -0.01 -0.29 0.00 -2.96 0.00 0.00 64.34 61.05 2kpw n VAL 53 Cb 0.97 -0.99 -0.04 0.00 -1.06 0.00 0.00 33.84 32.71 2kpw n VAL 53 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2kpw s SER 54 N 1.24 4.40 -0.26 6.55 1.04 -1.26 -0.88 113.70 124.52 2kpw s SER 54 Ca 0.87 -1.41 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 2kpw s SER 54 Cb -0.95 0.38 0.15 0.00 0.10 0.00 0.00 66.02 65.70 2kpw s SER 54 CO 0.50 -0.95 0.42 -0.47 0.98 0.00 0.00 173.24 173.73 2kpw s TYR 55 N -2.80 -1.00 -0.19 5.02 5.04 0.64 -4.94 117.35 119.12 2kpw s TYR 55 Ca 0.23 0.91 -0.29 0.00 -2.44 0.00 0.00 57.07 55.47 2kpw s TYR 55 Cb -0.00 0.09 -0.00 0.00 0.35 0.00 0.00 41.96 42.40 2kpw s TYR 55 CO 0.13 -0.79 1.09 0.21 -1.34 0.00 0.00 175.55 174.85 2kpw s LYS 56 N 2.60 4.29 0.01 4.97 2.20 -1.26 -0.41 119.74 132.13 2kpw s LYS 56 Ca 0.14 1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 56.88 2kpw s LYS 56 Cb -0.15 -3.64 -0.06 0.00 -1.51 0.00 0.00 37.83 32.47 2kpw s LYS 56 CO -0.19 -0.58 1.48 0.71 -0.36 0.00 0.00 175.35 176.41 2kpw s TYR 57 N 3.01 2.67 -1.07 4.03 1.51 -0.05 -4.92 117.35 122.53 2kpw s TYR 57 Ca 0.47 0.65 -0.23 0.00 -1.01 0.00 0.00 57.07 56.95 2kpw s TYR 57 Cb -0.17 -3.75 -0.04 0.00 -0.11 0.00 0.00 41.96 37.89 2kpw s TYR 57 CO 0.10 -2.89 1.85 -0.08 -1.11 0.00 0.00 175.55 173.43 2kpw s THR 58 N 2.65 3.62 -0.95 -0.71 -1.32 -1.26 -4.56 115.64 113.11 2kpw s THR 58 Ca 0.67 -0.81 -0.21 0.00 -1.21 0.00 0.00 61.69 60.13 2kpw s THR 58 Cb -0.33 -4.49 -0.11 0.00 -1.51 0.00 0.00 72.50 66.06 2kpw s THR 58 CO 0.28 -1.22 1.95 -0.24 -2.21 0.00 0.00 174.62 173.18 2kpw n SER 59 N 12.83 2.89 -1.02 8.08 2.88 -1.26 -4.55 113.62 133.47 2kpw n SER 59 Ca 0.42 -2.71 0.10 0.00 -1.33 0.00 0.00 58.87 55.35 2kpw n SER 59 Cb 0.47 -1.32 0.19 0.00 -0.75 0.00 0.00 64.21 62.80 2kpw n SER 59 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kpw n ARG 60 N 7.20 2.34 -3.70 -1.46 1.85 -1.26 -4.87 116.66 116.76 2kpw n ARG 60 Ca 0.49 -2.15 -0.09 0.00 -1.00 0.00 0.00 57.85 55.10 2kpw n ARG 60 Cb 0.42 -1.45 -0.03 0.00 -1.05 0.00 0.00 32.46 30.35 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 -1.35 -0.25 0.15 2.89 1.13 -1.26 -5.14 117.35 113.52 2kpw s TYR 61 Ca 0.34 -0.10 -0.17 0.00 -1.41 0.00 0.00 57.07 55.72 2kpw s TYR 61 Cb 0.20 0.55 -0.07 0.00 -1.10 0.00 0.00 41.96 41.54 2kpw s TYR 61 CO 0.28 -1.02 0.61 0.14 -2.51 0.00 0.00 175.55 173.05 2kpw s VAL 62 N -3.86 4.73 -0.20 -3.49 -7.23 -1.26 -2.94 120.40 106.14 2kpw s VAL 62 Ca 0.08 1.08 -0.05 0.00 -1.81 0.00 0.00 61.98 61.28 2kpw s VAL 62 Cb -0.03 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.06 2kpw s VAL 62 CO -0.02 0.33 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.87 2kpw s LEU 63 N -1.71 3.21 0.94 1.32 2.96 0.20 -4.82 118.68 120.78 2kpw s LEU 63 Ca 0.37 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.94 2kpw s LEU 63 Cb -0.17 -1.81 0.16 0.00 0.50 0.00 0.00 46.19 44.86 2kpw s LEU 63 CO 0.20 0.06 1.09 -0.54 -1.32 0.00 0.00 176.35 175.84 2kpw s LYS 64 N 1.03 0.88 -0.00 1.98 1.02 -1.26 -1.20 119.74 122.17 2kpw s LYS 64 Ca 0.02 0.94 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 2kpw s LYS 64 Cb -0.14 -1.76 -0.06 0.00 -0.52 0.00 0.00 37.83 35.35 2kpw s LYS 64 CO 0.01 -2.54 1.45 0.00 -0.92 0.00 0.00 175.35 173.36 2kpw s ALA 65 N -2.81 3.60 0.00 5.17 0.00 -1.26 -2.24 121.76 124.22 2kpw s ALA 65 Ca 0.65 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2kpw s ALA 65 Cb -0.20 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2kpw s ALA 65 CO 0.58 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2kpw n GLY 66 N 3.73 0.50 3.73 0.00 0.00 0.13 -4.96 105.19 108.32 2kpw n GLY 66 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.35 4.42 -0.62 1.61 2.00 -0.95 -4.71 119.66 121.05 2kpw s GLN 67 Ca 0.00 1.94 -0.20 0.00 -2.00 0.00 0.00 55.36 55.10 2kpw s GLN 67 Cb 0.00 -3.25 0.10 0.00 0.80 0.00 0.00 33.01 30.65 2kpw s GLN 67 CO 0.00 -0.24 0.79 0.95 -0.50 0.00 0.00 175.29 176.29 2kpw s THR 68 N 0.47 4.70 -0.37 -0.34 -4.23 -1.26 -1.66 115.64 112.95 2kpw s THR 68 Ca 0.58 -0.87 -0.18 0.00 -1.18 0.00 0.00 61.69 60.03 2kpw s THR 68 Cb -0.34 -4.55 0.00 0.00 1.34 0.00 0.00 72.50 68.95 2kpw s THR 68 CO 0.34 -1.23 0.51 0.54 -0.54 0.00 0.00 174.62 174.24 2kpw s VAL 69 N 3.01 5.01 -0.18 2.29 0.11 -0.78 -4.93 120.40 124.93 2kpw s VAL 69 Ca 0.15 0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 59.30 2kpw s VAL 69 Cb -0.22 -4.00 -0.05 0.00 -1.53 0.00 0.00 36.38 30.59 2kpw s VAL 69 CO 0.07 -0.29 0.14 -0.89 -3.33 0.00 0.00 175.10 170.80 2kpw s THR 70 N 2.39 5.42 -0.61 5.04 2.01 -1.26 -0.50 115.64 128.12 2kpw s THR 70 Ca 0.18 0.21 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 2kpw s THR 70 Cb -0.16 -3.46 0.10 0.00 0.01 0.00 0.00 72.50 68.99 2kpw s THR 70 CO 0.14 0.47 0.77 -0.63 -0.69 0.00 0.00 174.62 174.68 2kpw s ILE 71 N 0.11 4.71 -0.25 1.82 -1.09 0.52 -1.87 121.20 125.15 2kpw s ILE 71 Ca 0.10 -0.87 -0.20 0.00 -2.23 0.00 0.00 60.65 57.44 2kpw s ILE 71 Cb -0.11 -4.54 -0.02 0.00 -1.58 0.00 0.00 42.46 36.21 2kpw s ILE 71 CO -0.01 -1.21 0.61 0.26 -1.23 0.00 0.00 174.94 173.36 2kpw s TRP 72 N 2.98 3.29 0.74 3.97 0.52 -0.07 -0.53 118.94 129.84 2kpw s TRP 72 Ca 0.14 0.80 -0.16 0.00 0.02 0.00 0.00 56.10 56.90 2kpw s TRP 72 Cb -0.22 -2.81 0.00 0.00 -1.15 0.00 0.00 33.47 29.29 2kpw s TRP 72 CO 0.07 -0.30 0.87 0.00 0.02 0.00 0.00 176.95 177.60 2kpw n ALA 73 N 5.60 -0.60 -0.32 0.98 0.00 0.50 0.59 120.51 127.26 2kpw n ALA 73 Ca -0.01 -0.23 0.19 0.00 0.00 0.00 0.00 53.44 53.39 2kpw n ALA 73 Cb 0.49 -2.05 0.39 0.00 0.00 0.00 0.00 19.45 18.27 2kpw n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kpw h ALA 74 N -0.38 1.60 -0.69 0.00 0.00 0.10 0.35 119.26 120.24 2kpw h ALA 74 Ca -0.47 0.22 -0.50 0.00 0.00 0.00 0.00 54.91 54.16 2kpw h ALA 74 Cb 1.33 0.28 -0.20 0.00 0.00 0.00 0.00 17.79 19.20 2kpw h ALA 74 CO 0.45 -0.56 0.61 0.09 0.00 0.00 0.00 179.25 179.84 2kpw n ASN 75 N -5.18 6.92 -0.43 0.00 5.03 -1.26 -4.26 115.26 116.09 2kpw n ASN 75 Ca 0.27 -3.37 0.12 0.00 0.87 0.00 0.00 54.58 52.46 2kpw n ASN 75 Cb 0.86 -1.08 0.17 0.00 -1.02 0.00 0.00 39.78 38.71 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kpw n ALA 76 N 0.02 3.28 0.00 5.41 0.00 0.11 -4.61 120.51 124.72 2kpw n ALA 76 Ca 0.46 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kpw n ALA 76 Cb 0.56 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.37 2.06 3.64 0.00 0.00 -1.26 -5.00 105.19 106.00 2kpw n GLY 77 Ca 0.11 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 2kpw n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kpw n VAL 78 N 0.00 3.12 -1.66 1.61 0.31 -1.26 -4.89 118.33 115.56 2kpw n VAL 78 Ca 0.00 -0.50 -0.46 0.00 -0.01 0.00 0.00 64.34 63.37 2kpw n VAL 78 Cb 0.00 -1.26 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 2kpw n VAL 78 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2kpw n THR 79 N -1.04 0.44 0.15 2.52 -1.04 -1.26 -4.85 114.28 109.20 2kpw n THR 79 Ca 0.11 -0.11 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 2kpw n THR 79 Cb 0.43 -1.46 0.78 0.00 -1.82 0.00 0.00 70.33 68.26 2kpw n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kpw h ALA 80 N 5.05 1.93 -2.69 2.41 0.00 -1.95 -3.20 119.26 120.80 2kpw h ALA 80 Ca -0.45 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 53.85 2kpw h ALA 80 Cb 1.27 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.69 2kpw h ALA 80 CO 0.82 -0.51 -0.81 0.45 0.00 0.00 0.00 179.25 179.20 2kpw s SER 81 N -5.33 2.87 0.19 0.00 0.15 -1.26 -3.35 113.70 106.97 2kpw s SER 81 Ca -0.04 -3.12 -0.13 0.00 0.70 0.00 0.00 55.95 53.36 2kpw s SER 81 Cb 0.15 -0.86 0.19 0.00 -1.71 0.00 0.00 66.02 63.78 2kpw s SER 81 CO 0.52 -0.18 1.71 -0.65 1.20 0.00 0.00 173.24 175.84 2kpw h PRO 82 N 5.90 0.21 -0.69 5.44 0.11 -1.71 -3.46 132.00 137.79 2kpw h PRO 82 Ca 0.17 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 66.01 2kpw h PRO 82 Cb 0.88 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 31.79 2kpw h PRO 82 CO 0.47 0.14 0.27 -0.35 -0.21 0.00 0.00 178.00 178.32 2kpw n PRO 83 N -5.13 3.07 -0.10 1.05 -0.04 -1.26 -4.97 135.00 127.63 2kpw n PRO 83 Ca 0.05 -3.07 0.10 0.00 -0.04 0.00 0.00 63.50 60.55 2kpw n PRO 83 Cb 0.24 -2.11 0.46 0.00 -0.04 0.00 0.00 33.50 32.05 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 2.00 0.93 -1.20 0.52 1.03 -1.99 -3.42 112.91 110.78 2kpw h THR 84 Ca 0.31 -0.17 -0.58 0.00 -0.01 0.00 0.00 66.41 65.96 2kpw h THR 84 Cb 2.26 0.40 -0.08 0.00 -1.07 0.00 0.00 68.15 69.66 2kpw h THR 84 CO 0.71 0.09 -0.45 -1.81 -0.01 0.00 0.00 175.52 174.05 2kpw s ASP 85 N -6.25 4.47 -0.12 0.00 1.01 -1.26 -4.75 116.67 109.77 2kpw s ASP 85 Ca -0.08 -1.17 0.02 0.00 0.71 0.00 0.00 52.55 52.03 2kpw s ASP 85 Cb 0.19 -0.15 0.01 0.00 1.01 0.00 0.00 42.92 43.98 2kpw s ASP 85 CO 0.75 -0.72 -0.19 -0.76 0.21 0.00 0.00 175.17 174.46 2kpw s LEU 86 N -4.00 1.94 -0.19 1.23 1.43 -0.78 -4.17 118.68 114.14 2kpw s LEU 86 Ca 0.35 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 2kpw s LEU 86 Cb 0.02 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 2kpw s LEU 86 CO 0.20 0.07 0.50 -0.63 0.23 0.00 0.00 176.35 176.72 2kpw s ILE 87 N 0.78 5.12 -1.23 -0.59 1.09 -1.21 -0.89 121.20 124.27 2kpw s ILE 87 Ca -0.10 0.93 -0.21 0.00 -1.10 0.00 0.00 60.65 60.18 2kpw s ILE 87 Cb -0.16 -3.83 -0.01 0.00 -1.06 0.00 0.00 42.46 37.40 2kpw s ILE 87 CO 0.01 0.20 1.84 0.86 -0.10 0.00 0.00 174.94 177.74 2kpw s TRP 88 N 1.49 2.33 -0.18 3.97 -0.00 0.20 -4.76 118.94 121.99 2kpw s TRP 88 Ca 0.24 -0.50 0.28 0.00 -0.00 0.00 0.00 56.10 56.11 2kpw s TRP 88 Cb -0.15 -4.35 1.25 0.00 -0.00 0.00 0.00 33.47 30.21 2kpw s TRP 88 CO 0.10 -1.49 1.83 0.87 -0.00 0.00 0.00 176.95 178.25 2kpw h LYS 89 N 8.78 0.00 0.00 5.86 1.57 -1.91 -1.35 116.57 129.51 2kpw h LYS 89 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2kpw h LYS 89 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2kpw h LYS 89 CO 1.33 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 180.30 2kpw n ASN 90 N -2.52 0.31 -3.77 0.86 4.13 -1.26 -4.76 115.26 108.26 2kpw n ASN 90 Ca 0.01 0.56 -0.13 0.00 1.68 0.00 0.00 54.58 56.69 2kpw n ASN 90 Cb 0.19 -0.63 -0.11 0.00 -1.54 0.00 0.00 39.78 37.69 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 -3.10 0.37 0.15 3.52 0.74 -0.98 -5.04 119.66 115.32 2kpw s GLN 91 Ca 0.09 0.41 -0.02 0.00 0.05 0.00 0.00 55.36 55.88 2kpw s GLN 91 Cb 0.12 0.18 0.03 0.00 1.10 0.00 0.00 33.01 34.44 2kpw s GLN 91 CO 0.42 -0.05 0.20 0.09 -0.55 0.00 0.00 175.29 175.40 2kpw n ASN 92 N 2.87 0.02 -4.71 6.67 5.03 -1.26 -0.94 115.26 122.94 2kpw n ASN 92 Ca -0.13 -1.08 -0.42 0.00 0.87 0.00 0.00 54.58 53.82 2kpw n ASN 92 Cb 0.58 -0.15 -0.03 0.00 -1.02 0.00 0.00 39.78 39.16 2kpw n ASN 92 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2kpw s SER 93 N -1.73 7.04 0.09 6.41 1.04 -1.26 -4.58 113.70 120.71 2kpw s SER 93 Ca 0.11 2.05 -0.16 0.00 0.48 0.00 0.00 55.95 58.43 2kpw s SER 93 Cb -0.00 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.47 2kpw s SER 93 CO 0.08 -0.51 0.52 -1.66 0.98 0.00 0.00 173.24 172.65 2kpw s TRP 94 N 1.19 3.70 -0.26 5.02 -2.14 -0.45 -4.99 118.94 121.01 2kpw s TRP 94 Ca 0.59 1.11 0.12 0.00 2.66 0.00 0.00 56.10 60.59 2kpw s TRP 94 Cb -0.30 -2.39 0.60 0.00 -3.10 0.00 0.00 33.47 28.27 2kpw s TRP 94 CO 0.29 0.53 1.56 0.41 -2.66 0.00 0.00 176.95 177.08 2kpw n GLY 95 N 1.32 4.15 3.70 3.67 0.00 -1.26 -4.28 105.19 112.48 2kpw n GLY 95 Ca -0.09 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 2kpw n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kpw s THR 96 N -3.00 4.75 -0.99 2.61 -4.23 -1.26 -4.94 115.64 108.59 2kpw s THR 96 Ca 0.47 1.99 0.25 0.00 -1.18 0.00 0.00 61.69 63.23 2kpw s THR 96 Cb 0.39 -4.28 0.02 0.00 1.34 0.00 0.00 72.50 69.97 2kpw s THR 96 CO 0.08 0.09 1.45 0.61 -0.54 0.00 0.00 174.62 176.31 2kpw n GLY 97 N 3.02 -1.27 3.79 3.99 0.00 -1.26 -4.92 105.19 108.54 2kpw n GLY 97 Ca 0.07 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.01 3.01 -0.91 1.61 0.41 -1.26 -4.91 118.70 113.65 2kpw s GLU 98 Ca 0.11 1.22 -0.25 0.00 -0.41 0.00 0.00 54.97 55.64 2kpw s GLU 98 Cb 0.17 -1.99 -0.07 0.00 -1.78 0.00 0.00 34.13 30.47 2kpw s GLU 98 CO 0.69 -1.06 2.03 0.16 -0.49 0.00 0.00 175.26 176.59 2kpw s ASP 99 N -2.93 4.88 -0.07 -0.19 -4.77 -1.26 -4.91 116.67 107.42 2kpw s ASP 99 Ca 0.63 -0.62 -0.31 0.00 -3.30 0.00 0.00 52.55 48.95 2kpw s ASP 99 Cb -0.17 -2.56 -0.09 0.00 -1.09 0.00 0.00 42.92 39.01 2kpw s ASP 99 CO 0.43 -3.00 2.01 0.55 0.70 0.00 0.00 175.17 175.85 2kpw n VAL 100 N 8.06 0.61 -3.43 2.11 3.14 -1.26 -4.68 118.33 122.88 2kpw n VAL 100 Ca 0.42 -0.20 -0.43 0.00 -2.96 0.00 0.00 64.34 61.16 2kpw n VAL 100 Cb 0.46 -2.22 -0.07 0.00 -1.06 0.00 0.00 33.84 30.96 2kpw n VAL 100 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2kpw s LYS 101 N 4.83 2.78 0.04 1.45 2.20 -0.59 -3.08 119.74 127.38 2kpw s LYS 101 Ca 0.93 -1.81 -0.28 0.00 -0.36 0.00 0.00 55.97 54.46 2kpw s LYS 101 Cb -0.51 -4.12 -0.05 0.00 -1.51 0.00 0.00 37.83 31.65 2kpw s LYS 101 CO 0.44 -1.26 0.88 0.08 -0.36 0.00 0.00 175.35 175.13 2kpw s VAL 102 N 1.35 4.72 -0.11 4.02 1.01 0.15 -2.20 120.40 129.35 2kpw s VAL 102 Ca 0.06 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2kpw s VAL 102 Cb -0.27 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 2kpw s VAL 102 CO 0.00 0.28 -0.10 -0.63 0.00 0.00 0.00 175.10 174.65 2kpw s ILE 103 N 0.34 3.34 -0.31 2.22 -1.09 0.18 -1.19 121.20 124.69 2kpw s ILE 103 Ca 0.45 -0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 58.25 2kpw s ILE 103 Cb -0.21 -2.39 0.04 0.00 -1.58 0.00 0.00 42.46 38.32 2kpw s ILE 103 CO 0.26 0.54 0.04 -0.76 -1.23 0.00 0.00 174.94 173.80 2kpw s LEU 104 N -0.06 4.06 0.27 2.97 1.43 0.20 -0.39 118.68 127.16 2kpw s LEU 104 Ca -0.01 -1.20 0.12 0.00 -1.03 0.00 0.00 54.13 52.00 2kpw s LEU 104 Cb -0.14 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2kpw s LEU 104 CO 0.03 -0.28 -0.20 -0.54 0.23 0.00 0.00 176.35 175.59 2kpw s LYS 105 N 1.32 1.64 0.64 1.70 1.02 -0.68 -2.33 119.74 123.05 2kpw s LYS 105 Ca -0.04 -1.73 0.04 0.00 0.02 0.00 0.00 55.97 54.26 2kpw s LYS 105 Cb -0.20 -1.74 0.12 0.00 -0.52 0.00 0.00 37.83 35.49 2kpw s LYS 105 CO 0.01 0.33 0.87 0.09 -0.92 0.00 0.00 175.35 175.73 2kpw n ASN 106 N -0.50 1.61 0.32 2.83 4.13 0.47 -1.00 115.26 123.12 2kpw n ASN 106 Ca -0.06 -2.26 0.21 0.00 1.68 0.00 0.00 54.58 54.16 2kpw n ASN 106 Cb 0.60 -0.53 1.12 0.00 -1.54 0.00 0.00 39.78 39.43 2kpw n ASN 106 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2kpw h SER 107 N -0.28 0.00 -0.54 6.41 0.02 -1.89 -1.37 113.55 115.89 2kpw h SER 107 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2kpw h SER 107 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2kpw h SER 107 CO 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 2kpw n GLN 108 N -3.01 3.95 0.00 3.45 6.02 -1.26 -4.94 117.38 121.59 2kpw n GLN 108 Ca -0.02 -2.93 0.00 0.00 -0.01 0.00 0.00 57.00 54.04 2kpw n GLN 108 Cb 0.09 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.38 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 0.64 2.82 3.63 1.08 0.00 -0.52 -4.99 105.19 107.85 2kpw n GLY 109 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.95 -0.35 -4.82 1.61 0.28 -1.26 -4.58 120.64 109.56 2kpw n GLU 110 Ca 0.00 -0.04 -0.31 0.00 -0.16 0.00 0.00 57.16 56.65 2kpw n GLU 110 Cb 0.00 -2.30 -0.17 0.00 1.43 0.00 0.00 31.44 30.41 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 -4.40 2.74 -0.15 3.44 2.12 -1.26 -0.39 118.70 120.80 2kpw s GLU 111 Ca 0.66 -0.76 0.09 0.00 0.36 0.00 0.00 54.97 55.32 2kpw s GLU 111 Cb -0.24 -2.17 -0.23 0.00 0.26 0.00 0.00 34.13 31.75 2kpw s GLU 111 CO 0.59 0.05 0.23 1.33 -0.54 0.00 0.00 175.26 176.91 2kpw n VAL 112 N 3.87 1.54 -3.52 3.70 0.24 -0.98 -5.01 118.33 118.16 2kpw n VAL 112 Ca -0.20 -0.75 -0.18 0.00 -2.04 0.00 0.00 64.34 61.18 2kpw n VAL 112 Cb 0.52 -1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 31.79 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 -2.54 -1.77 -0.08 2.33 0.00 -1.22 -5.07 121.76 113.41 2kpw s ALA 113 Ca -0.16 1.34 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 2kpw s ALA 113 Cb 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.17 2kpw s ALA 113 CO 0.77 -0.37 0.24 1.14 0.00 0.00 0.00 175.76 177.55 2kpw s GLN 114 N -1.15 0.33 0.08 0.00 -2.07 -1.26 -0.62 119.66 114.96 2kpw s GLN 114 Ca -0.11 0.26 -0.19 0.00 -1.82 0.00 0.00 55.36 53.50 2kpw s GLN 114 Cb -0.00 0.15 0.04 0.00 -1.09 0.00 0.00 33.01 32.12 2kpw s GLN 114 CO 0.10 -0.05 0.45 0.50 -1.32 0.00 0.00 175.29 174.97 2kpw s ARG 115 N -0.06 1.02 0.35 9.60 3.52 -0.33 -5.01 118.95 128.05 2kpw s ARG 115 Ca -0.02 -0.44 0.05 0.00 -0.13 0.00 0.00 55.73 55.19 2kpw s ARG 115 Cb -0.02 0.46 -0.07 0.00 -1.56 0.00 0.00 34.95 33.76 2kpw s ARG 115 CO 0.01 -0.38 0.04 -1.54 -0.81 0.00 0.00 175.30 172.62 2kpw s SER 116 N -2.29 2.84 0.71 -2.12 1.04 -1.26 0.34 113.70 112.96 2kpw s SER 116 Ca -0.02 -1.38 -0.11 0.00 0.48 0.00 0.00 55.95 54.91 2kpw s SER 116 Cb 0.00 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.97 2kpw s SER 116 CO -0.06 -0.57 1.07 0.42 0.98 0.00 0.00 173.24 175.09 2kpw s THR 117 N -3.12 3.71 -1.00 2.02 -4.23 -1.18 -4.88 115.64 106.96 2kpw s THR 117 Ca 0.36 0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 61.23 2kpw s THR 117 Cb 0.09 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.75 2kpw s THR 117 CO 0.16 -0.69 1.62 -0.69 -0.54 0.00 0.00 174.62 174.48 2kpw s VAL 118 N -2.90 3.78 0.23 2.29 1.01 -1.26 -4.79 120.40 118.76 2kpw s VAL 118 Ca 0.60 -0.70 0.22 0.00 0.00 0.00 0.00 61.98 62.11 2kpw s VAL 118 Cb -0.16 -4.75 0.21 0.00 0.00 0.00 0.00 36.38 31.68 2kpw s VAL 118 CO 0.53 -1.63 1.85 2.19 0.00 0.00 0.00 175.10 178.04 2kpw h PHE 119 N 10.14 0.00 -3.38 5.22 -0.00 -1.97 -3.39 116.94 123.56 2kpw h PHE 119 Ca 0.18 0.00 -0.76 0.00 -0.00 0.00 0.00 57.97 57.39 2kpw h PHE 119 Cb 1.00 0.00 -0.26 0.00 -0.00 0.00 0.00 35.95 36.69 2kpw h PHE 119 CO 1.27 0.26 -0.16 0.21 -0.00 0.00 0.00 178.31 179.89 2kpw s LYS 120 N -3.80 3.07 0.51 6.09 2.47 -1.26 -5.07 119.74 121.74 2kpw s LYS 120 Ca -0.01 -2.00 -0.16 0.00 -1.56 0.00 0.00 55.97 52.24 2kpw s LYS 120 Cb 0.11 -4.24 -0.08 0.00 -1.46 0.00 0.00 37.83 32.16 2kpw s LYS 120 CO 0.65 -1.29 0.96 0.95 0.16 0.00 0.00 175.35 176.79 2kpw s THR 121 N 1.02 4.56 0.00 3.43 -4.23 -1.26 -5.26 115.64 113.89 2kpw s THR 121 Ca 0.09 1.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.75 2kpw s THR 121 Cb -0.23 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.89 2kpw s THR 121 CO -0.02 -0.68 0.00 1.07 -0.54 0.00 0.00 174.62 174.45