#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 1.86 3.52 3.03 0.00 -1.26 -4.98 105.19 107.36 2kpw n GLY 2 Ca 0.00 0.00 -0.43 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 -2.69 2.86 -0.30 1.61 4.02 -1.26 -4.84 115.29 114.70 2kpw s HIS 3 Ca 0.00 -1.25 -0.11 0.00 1.02 0.00 0.00 55.06 54.71 2kpw s HIS 3 Cb 0.00 -4.53 0.18 0.00 -1.02 0.00 0.00 32.58 27.21 2kpw s HIS 3 CO 0.00 -1.72 1.01 -3.38 1.02 0.00 0.00 174.74 171.68 2kpw s HIS 4 N 3.77 -0.61 0.03 1.40 0.00 -1.26 -5.18 115.29 113.45 2kpw s HIS 4 Ca 0.42 0.56 0.02 0.00 -3.00 0.00 0.00 55.06 53.06 2kpw s HIS 4 Cb -0.01 0.18 -0.02 0.00 -4.00 0.00 0.00 32.58 28.73 2kpw s HIS 4 CO -0.07 -0.34 -0.07 -1.01 -1.00 0.00 0.00 174.74 172.26 2kpw s HIS 5 N 2.95 0.56 0.07 0.38 0.09 -1.26 -5.18 115.29 112.90 2kpw s HIS 5 Ca 0.07 -0.49 0.00 0.00 -0.00 0.00 0.00 55.06 54.65 2kpw s HIS 5 Cb -0.09 -0.34 -0.04 0.00 -0.00 0.00 0.00 32.58 32.11 2kpw s HIS 5 CO -0.15 -0.10 -0.05 -1.01 -0.00 0.00 0.00 174.74 173.43 2kpw s HIS 6 N -1.33 0.68 -0.26 1.40 4.02 -1.26 -5.15 115.29 113.40 2kpw s HIS 6 Ca -0.11 -0.97 0.02 0.00 1.02 0.00 0.00 55.06 55.02 2kpw s HIS 6 Cb -0.10 -0.44 0.07 0.00 -1.02 0.00 0.00 32.58 31.09 2kpw s HIS 6 CO 0.00 -0.26 -0.06 -1.58 1.02 0.00 0.00 174.74 173.86 2kpw s HIS 7 N -3.64 2.82 -0.34 1.40 5.65 -1.26 -5.08 115.29 114.84 2kpw s HIS 7 Ca 0.08 -2.08 -0.29 0.00 0.25 0.00 0.00 55.06 53.02 2kpw s HIS 7 Cb 0.06 -1.84 -0.01 0.00 -1.18 0.00 0.00 32.58 29.61 2kpw s HIS 7 CO -0.07 -0.83 1.64 -1.01 -0.65 0.00 0.00 174.74 173.82 2kpw s HIS 8 N 1.25 2.05 0.33 3.88 0.09 -1.26 -5.00 115.29 116.64 2kpw s HIS 8 Ca -0.05 0.63 0.05 0.00 -0.00 0.00 0.00 55.06 55.69 2kpw s HIS 8 Cb -0.19 -4.16 -0.01 0.00 -0.00 0.00 0.00 32.58 28.21 2kpw s HIS 8 CO -0.07 -2.63 0.48 -1.12 -0.00 0.00 0.00 174.74 171.41 2kpw s SER 9 N 5.05 6.03 -0.44 1.40 0.01 -1.26 -5.09 113.70 119.40 2kpw s SER 9 Ca 0.72 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.98 2kpw s SER 9 Cb -0.20 -1.44 0.15 0.00 0.21 0.00 0.00 66.02 64.74 2kpw s SER 9 CO 0.33 -0.40 0.29 -1.00 0.41 0.00 0.00 173.24 172.87 2kpw s HIS 10 N -2.20 1.66 -0.18 2.43 0.09 -1.26 -5.07 115.29 110.75 2kpw s HIS 10 Ca 0.43 -2.33 -0.04 0.00 -0.00 0.00 0.00 55.06 53.12 2kpw s HIS 10 Cb -0.09 -1.52 0.06 0.00 -0.00 0.00 0.00 32.58 31.03 2kpw s HIS 10 CO 0.32 -0.78 0.08 -1.64 -0.00 0.00 0.00 174.74 172.72 2kpw s MET 11 N 0.23 0.20 0.18 1.40 1.00 -1.26 -5.04 119.30 116.00 2kpw s MET 11 Ca 0.22 -0.17 -0.10 0.00 0.00 0.00 0.00 55.69 55.64 2kpw s MET 11 Cb -0.14 -1.87 0.08 0.00 0.00 0.00 0.00 34.83 32.89 2kpw s MET 11 CO -0.07 -0.68 1.67 0.00 0.00 0.00 0.00 175.02 175.95 2kpw h THR 12 N 6.44 1.26 -1.35 2.05 1.03 -2.00 -3.44 112.91 116.91 2kpw h THR 12 Ca -0.15 -1.02 0.12 0.00 -0.01 0.00 0.00 66.41 65.34 2kpw h THR 12 Cb 1.14 0.69 -0.03 0.00 -1.07 0.00 0.00 68.15 68.88 2kpw h THR 12 CO 0.31 0.38 -0.16 0.61 -0.01 0.00 0.00 175.52 176.65 2kpw n GLY 13 N -0.56 -1.86 2.51 2.99 0.00 -1.26 -4.84 105.19 102.17 2kpw n GLY 13 Ca 0.04 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 2kpw n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kpw s ASN 14 N -4.34 3.09 -0.42 1.61 0.01 -1.26 -4.99 114.94 108.64 2kpw s ASN 14 Ca 0.00 -1.75 -0.09 0.00 -0.71 0.00 0.00 52.86 50.31 2kpw s ASN 14 Cb 0.00 -0.31 0.08 0.00 0.41 0.00 0.00 41.25 41.43 2kpw s ASN 14 CO 0.00 -0.36 0.25 -0.69 -1.51 0.00 0.00 177.10 174.79 2kpw s VAL 15 N 1.55 4.15 0.22 1.60 1.01 -1.26 -0.92 120.40 126.75 2kpw s VAL 15 Ca 0.14 -1.43 0.11 0.00 0.00 0.00 0.00 61.98 60.80 2kpw s VAL 15 Cb -0.20 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2kpw s VAL 15 CO -0.16 -0.51 -0.21 0.00 0.00 0.00 0.00 175.10 174.23 2kpw s ILE 17 N -1.96 4.34 0.01 0.00 1.01 -1.26 0.15 121.20 123.48 2kpw s ILE 17 Ca 0.24 1.64 -0.02 0.00 0.00 0.00 0.00 60.65 62.51 2kpw s ILE 17 Cb -0.07 -4.06 -0.27 0.00 0.01 0.00 0.00 42.46 38.07 2kpw s ILE 17 CO 0.12 -0.07 0.88 -0.08 0.00 0.00 0.00 174.94 175.80 2kpw h GLU 18 N 7.71 0.23 -1.62 2.79 4.81 -0.82 -3.48 114.58 124.20 2kpw h GLU 18 Ca -0.30 -0.39 0.06 0.00 -0.13 0.00 0.00 59.36 58.60 2kpw h GLU 18 Cb 1.13 0.15 -0.24 0.00 0.63 0.00 0.00 28.75 30.42 2kpw h GLU 18 CO 0.92 1.09 0.47 -2.00 -0.73 0.00 0.00 179.01 178.76 2kpw s GLU 19 N -2.62 0.59 -0.12 1.92 2.12 -1.11 -5.06 118.70 114.43 2kpw s GLU 19 Ca -0.08 0.37 -0.00 0.00 0.36 0.00 0.00 54.97 55.61 2kpw s GLU 19 Cb 0.07 0.28 -0.02 0.00 0.26 0.00 0.00 34.13 34.72 2kpw s GLU 19 CO 0.85 -0.14 -0.12 0.42 -0.54 0.00 0.00 175.26 175.74 2kpw s ILE 20 N -0.51 3.21 0.10 -3.70 1.01 -1.26 -0.52 121.20 119.53 2kpw s ILE 20 Ca -0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 59.72 2kpw s ILE 20 Cb -0.02 -2.34 -0.09 0.00 0.01 0.00 0.00 42.46 40.02 2kpw s ILE 20 CO -0.01 0.53 1.63 -0.62 0.00 0.00 0.00 174.94 176.47 2kpw s ASP 21 N 0.14 6.59 -0.04 3.58 2.15 -0.86 -4.59 116.67 123.64 2kpw s ASP 21 Ca -0.06 2.53 0.02 0.00 0.43 0.00 0.00 52.55 55.47 2kpw s ASP 21 Cb -0.15 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.01 2kpw s ASP 21 CO 0.04 -0.87 0.82 0.55 -0.17 0.00 0.00 175.17 175.55 2kpw n VAL 22 N 4.49 0.69 0.02 1.11 3.14 -1.26 -3.54 118.33 122.96 2kpw n VAL 22 Ca 0.15 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2kpw n VAL 22 Cb 0.40 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.57 2kpw n VAL 22 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2kpw n ASP 23 N 0.14 0.32 0.00 6.55 2.03 -1.26 -4.04 116.55 120.28 2kpw n ASP 23 Ca 0.06 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2kpw n ASP 23 Cb 0.48 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 2kpw n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kpw n GLY 24 N 3.05 -0.65 0.09 0.27 0.00 -1.23 -2.31 105.19 104.40 2kpw n GLY 24 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.20 1.61 1.57 -1.95 -3.36 116.57 111.16 2kpw h LYS 25 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2kpw h LYS 25 Cb 0.00 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.19 2kpw h LYS 25 CO 0.00 0.52 0.00 -0.59 -0.57 0.00 0.00 179.45 178.81 2kpw s PHE 26 N -2.83 -0.31 -0.19 -1.35 -0.12 -1.26 -1.64 117.98 110.27 2kpw s PHE 26 Ca -0.14 0.08 -0.02 0.00 -0.05 0.00 0.00 56.93 56.80 2kpw s PHE 26 Cb -0.01 0.33 -0.00 0.00 -0.63 0.00 0.00 43.02 42.71 2kpw s PHE 26 CO 0.52 -0.72 -0.10 0.42 -0.05 0.00 0.00 175.22 175.29 2kpw s ILE 27 N -3.53 2.99 -0.47 -4.49 1.01 0.11 -2.02 121.20 114.80 2kpw s ILE 27 Ca 0.01 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 2kpw s ILE 27 Cb 0.01 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.20 2kpw s ILE 27 CO -0.10 0.47 0.58 -0.60 0.00 0.00 0.00 174.94 175.28 2kpw s ARG 28 N 1.22 3.15 0.41 2.79 3.52 0.33 0.06 118.95 130.42 2kpw s ARG 28 Ca 0.02 -0.74 0.08 0.00 -0.13 0.00 0.00 55.73 54.96 2kpw s ARG 28 Cb -0.14 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 2kpw s ARG 28 CO -0.04 -1.07 0.53 -0.51 -0.81 0.00 0.00 175.30 173.40 2kpw s LEU 29 N 2.53 3.66 -0.24 -0.88 1.02 0.04 -0.14 118.68 124.67 2kpw s LEU 29 Ca 0.16 -0.44 -0.13 0.00 0.02 0.00 0.00 54.13 53.74 2kpw s LEU 29 Cb -0.17 -2.59 0.08 0.00 0.02 0.00 0.00 46.19 43.53 2kpw s LEU 29 CO 0.14 -0.70 0.58 -0.75 0.02 0.00 0.00 176.35 175.63 2kpw s LYS 30 N -4.30 0.57 -0.40 1.70 2.20 0.12 -1.38 119.74 118.25 2kpw s LYS 30 Ca 0.53 1.09 -0.20 0.00 -0.36 0.00 0.00 55.97 57.03 2kpw s LYS 30 Cb -0.09 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.40 2kpw s LYS 30 CO 0.32 -0.16 0.62 1.21 -0.36 0.00 0.00 175.35 176.98 2kpw s ASN 31 N 1.73 6.36 -0.21 1.43 2.47 -0.67 -1.10 114.94 124.95 2kpw s ASN 31 Ca -0.09 -0.12 0.15 0.00 0.42 0.00 0.00 52.86 53.22 2kpw s ASN 31 Cb -0.07 -2.31 0.79 0.00 -1.45 0.00 0.00 41.25 38.20 2kpw s ASN 31 CO -0.17 -0.67 1.71 1.07 -3.72 0.00 0.00 177.10 175.32 2kpw n THR 32 N 5.70 2.57 -1.51 -5.21 5.66 -0.10 0.09 114.28 121.48 2kpw n THR 32 Ca -0.02 -1.41 -0.21 0.00 -3.05 0.00 0.00 64.05 59.37 2kpw n THR 32 Cb 0.48 -0.20 0.15 0.00 -1.55 0.00 0.00 70.33 69.21 2kpw n THR 32 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2kpw n SER 33 N 0.64 -0.24 0.09 1.09 2.88 -1.26 -4.87 113.62 111.95 2kpw n SER 33 Ca 0.27 -1.27 -0.22 0.00 -1.33 0.00 0.00 58.87 56.31 2kpw n SER 33 Cb 1.13 -0.71 -0.15 0.00 -0.75 0.00 0.00 64.21 63.73 2kpw n SER 33 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2kpw h GLU 34 N 0.00 0.41 -5.09 -1.46 5.08 -1.97 -3.40 114.58 108.15 2kpw h GLU 34 Ca -0.30 -0.71 -0.44 0.00 -1.00 0.00 0.00 59.36 56.92 2kpw h GLU 34 Cb 0.84 0.26 -0.14 0.00 0.50 0.00 0.00 28.75 30.21 2kpw h GLU 34 CO 0.21 1.32 -0.60 -1.14 -1.00 0.00 0.00 179.01 177.80 2kpw s GLN 35 N -2.59 1.59 -0.52 2.33 0.74 -1.26 -4.71 119.66 115.24 2kpw s GLN 35 Ca -0.13 -1.88 -0.31 0.00 0.05 0.00 0.00 55.36 53.09 2kpw s GLN 35 Cb 0.05 -0.63 -0.12 0.00 1.10 0.00 0.00 33.01 33.41 2kpw s GLN 35 CO 0.88 -0.25 2.37 -0.25 -0.55 0.00 0.00 175.29 177.50 2kpw n ASP 36 N -0.66 1.88 -4.79 6.67 9.92 -1.26 -4.14 116.55 124.17 2kpw n ASP 36 Ca -0.02 0.05 -0.38 0.00 -0.53 0.00 0.00 54.79 53.91 2kpw n ASP 36 Cb 0.66 -1.32 -0.06 0.00 -0.64 0.00 0.00 41.12 39.77 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 7.47 4.16 -0.16 -1.24 -1.52 0.98 -4.80 119.66 124.55 2kpw s GLN 37 Ca 1.11 0.56 -0.29 0.00 -1.95 0.00 0.00 55.36 54.79 2kpw s GLN 37 Cb -0.69 -3.30 -0.05 0.00 -0.22 0.00 0.00 33.01 28.75 2kpw s GLN 37 CO 0.41 0.50 2.04 -2.14 -0.25 0.00 0.00 175.29 175.85 2kpw s PRO 38 N -0.55 3.49 0.36 2.91 0.02 -1.26 -0.09 135.00 139.88 2kpw s PRO 38 Ca 0.27 2.08 0.15 0.00 0.02 0.00 0.00 61.00 63.51 2kpw s PRO 38 Cb -0.17 -4.26 0.68 0.00 0.02 0.00 0.00 34.50 30.76 2kpw s PRO 38 CO 0.15 -1.69 1.77 1.98 -0.33 0.00 0.00 177.00 178.88 2kpw h MET 39 N 13.18 0.00 -5.15 5.54 4.05 -1.81 -3.39 114.93 127.35 2kpw h MET 39 Ca -0.42 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 58.50 2kpw h MET 39 Cb 1.22 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 2kpw h MET 39 CO 0.97 0.42 1.74 0.41 0.23 0.00 0.00 176.91 180.67 2kpw n GLY 40 N -0.14 1.93 0.02 1.39 0.00 -1.22 -3.50 105.19 103.66 2kpw n GLY 40 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 5.26 0.15 3.41 -0.02 0.00 -1.25 -4.87 105.19 107.86 2kpw n GLY 41 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 1.93 -0.08 1.61 0.52 -1.23 -0.91 118.94 120.77 2kpw s TRP 42 Ca 0.00 -0.58 -0.06 0.00 0.02 0.00 0.00 56.10 55.48 2kpw s TRP 42 Cb 0.00 -0.98 0.03 0.00 -1.15 0.00 0.00 33.47 31.37 2kpw s TRP 42 CO 0.00 0.40 0.20 -2.00 0.02 0.00 0.00 176.95 175.57 2kpw s GLU 43 N -3.65 0.20 -0.27 4.98 2.12 0.42 -1.21 118.70 121.30 2kpw s GLU 43 Ca 0.27 0.37 -0.10 0.00 0.36 0.00 0.00 54.97 55.87 2kpw s GLU 43 Cb 0.00 -0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.34 2kpw s GLU 43 CO 0.10 -0.09 0.15 1.41 -0.54 0.00 0.00 175.26 176.30 2kpw s MET 44 N 0.63 3.88 -0.25 4.30 -2.45 0.45 -1.63 119.30 124.22 2kpw s MET 44 Ca -0.04 -0.36 -0.06 0.00 -1.25 0.00 0.00 55.69 53.98 2kpw s MET 44 Cb -0.06 -3.56 -0.01 0.00 1.25 0.00 0.00 34.83 32.46 2kpw s MET 44 CO -0.03 -0.16 0.03 0.42 1.05 0.00 0.00 175.02 176.33 2kpw s ILE 45 N 1.65 3.84 -0.11 10.11 1.09 -0.13 -0.25 121.20 137.41 2kpw s ILE 45 Ca 0.07 -0.47 -0.20 0.00 -1.10 0.00 0.00 60.65 58.95 2kpw s ILE 45 Cb -0.16 -2.85 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 2kpw s ILE 45 CO 0.08 0.28 0.54 -0.60 -0.10 0.00 0.00 174.94 175.14 2kpw s ARG 46 N 1.52 4.36 0.06 2.79 3.52 -0.22 -0.38 118.95 130.61 2kpw s ARG 46 Ca 0.05 0.56 0.06 0.00 -0.13 0.00 0.00 55.73 56.26 2kpw s ARG 46 Cb -0.16 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2kpw s ARG 46 CO 0.01 0.12 -0.15 0.15 -0.81 0.00 0.00 175.30 174.61 2kpw s LYS 47 N 0.71 0.94 0.00 5.12 1.02 -0.86 -3.35 119.74 123.32 2kpw s LYS 47 Ca 0.29 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2kpw s LYS 47 Cb -0.16 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.16 2kpw s LYS 47 CO 0.12 0.24 0.00 1.51 -0.92 0.00 0.00 175.35 176.30 2kpw n ILE 48 N 1.56 0.00 -2.39 2.17 3.06 -1.26 -1.74 119.36 120.75 2kpw n ILE 48 Ca -0.19 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 2kpw n ILE 48 Cb 0.54 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.72 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 -1.12 5.40 3.16 4.50 0.00 -1.26 -5.03 105.19 110.83 2kpw n GLY 49 Ca 0.00 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2kpw n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kpw n ASP 50 N 0.00 2.74 -3.61 1.61 8.00 -1.26 -4.76 116.55 119.28 2kpw n ASP 50 Ca 0.00 -2.70 -0.02 0.00 0.71 0.00 0.00 54.79 52.78 2kpw n ASP 50 Cb 0.00 -1.26 -0.01 0.00 -0.02 0.00 0.00 41.12 39.83 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kpw s THR 51 N 5.76 0.00 -0.29 -3.53 -1.32 -1.26 -5.16 115.64 109.84 2kpw s THR 51 Ca 0.58 -0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.98 2kpw s THR 51 Cb 0.12 -1.39 0.20 0.00 -1.51 0.00 0.00 72.50 69.92 2kpw s THR 51 CO 0.11 0.00 0.69 -0.94 -2.21 0.00 0.00 174.62 172.26 2kpw s SER 52 N -2.50 -1.36 -0.04 8.08 1.04 -1.26 -4.56 113.70 113.11 2kpw s SER 52 Ca 0.11 0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.76 2kpw s SER 52 Cb 0.01 1.90 -0.04 0.00 0.10 0.00 0.00 66.02 67.99 2kpw s SER 52 CO -0.04 -0.25 0.14 0.54 0.98 0.00 0.00 173.24 174.61 2kpw s VAL 53 N 2.86 5.27 0.24 5.02 0.11 -1.21 -4.91 120.40 127.77 2kpw s VAL 53 Ca 0.14 -0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.15 2kpw s VAL 53 Cb -0.09 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.32 2kpw s VAL 53 CO -0.24 0.42 0.09 -0.44 -3.33 0.00 0.00 175.10 171.60 2kpw s SER 54 N -1.62 5.07 -0.23 3.54 0.01 -1.26 -1.06 113.70 118.16 2kpw s SER 54 Ca 0.23 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 57.06 2kpw s SER 54 Cb -0.12 -1.16 0.12 0.00 0.21 0.00 0.00 66.02 65.07 2kpw s SER 54 CO 0.13 0.00 0.32 -0.47 0.41 0.00 0.00 173.24 173.64 2kpw s TYR 55 N -2.10 -0.62 0.09 2.43 5.04 0.66 -4.93 117.35 117.90 2kpw s TYR 55 Ca 0.31 0.55 -0.30 0.00 -2.44 0.00 0.00 57.07 55.19 2kpw s TYR 55 Cb -0.08 -0.14 -0.06 0.00 0.35 0.00 0.00 41.96 42.03 2kpw s TYR 55 CO 0.22 -0.70 1.12 0.21 -1.34 0.00 0.00 175.55 175.06 2kpw s LYS 56 N 2.46 4.51 -0.17 4.97 2.20 -1.26 -0.41 119.74 132.03 2kpw s LYS 56 Ca 0.10 1.68 -0.29 0.00 -0.36 0.00 0.00 55.97 57.10 2kpw s LYS 56 Cb -0.15 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 2kpw s LYS 56 CO -0.16 -0.11 1.09 0.71 -0.36 0.00 0.00 175.35 176.52 2kpw s TYR 57 N 0.64 3.28 0.60 4.03 1.51 -0.35 -4.98 117.35 122.08 2kpw s TYR 57 Ca 0.54 1.39 -0.13 0.00 -1.01 0.00 0.00 57.07 57.87 2kpw s TYR 57 Cb -0.28 -3.31 -0.05 0.00 -0.11 0.00 0.00 41.96 38.22 2kpw s TYR 57 CO 0.31 -0.71 1.02 -0.08 -1.11 0.00 0.00 175.55 174.98 2kpw s THR 58 N 2.88 4.53 -0.28 -0.71 -1.32 -1.26 -3.81 115.64 115.67 2kpw s THR 58 Ca 0.48 0.96 0.12 0.00 -1.21 0.00 0.00 61.69 62.03 2kpw s THR 58 Cb -0.18 -3.75 0.68 0.00 -1.51 0.00 0.00 72.50 67.74 2kpw s THR 58 CO 0.12 -0.94 1.68 -0.24 -2.21 0.00 0.00 174.62 173.02 2kpw n SER 59 N -2.40 4.41 0.17 8.08 2.88 -1.26 -3.43 113.62 122.07 2kpw n SER 59 Ca 0.06 -3.23 0.13 0.00 -1.33 0.00 0.00 58.87 54.50 2kpw n SER 59 Cb 0.54 -0.69 0.67 0.00 -0.75 0.00 0.00 64.21 63.99 2kpw n SER 59 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2kpw h ARG 60 N 2.37 0.00 -3.90 -1.46 0.11 -1.98 -3.42 114.38 106.09 2kpw h ARG 60 Ca 0.18 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.14 2kpw h ARG 60 Cb 2.04 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 32.95 2kpw h ARG 60 CO 0.57 0.00 -0.55 1.52 0.10 0.00 0.00 179.97 181.61 2kpw s TYR 61 N -5.02 0.26 0.08 4.08 1.13 -1.26 -5.14 117.35 111.48 2kpw s TYR 61 Ca -0.05 -0.63 -0.20 0.00 -1.41 0.00 0.00 57.07 54.78 2kpw s TYR 61 Cb 0.18 -0.19 -0.07 0.00 -1.10 0.00 0.00 41.96 40.78 2kpw s TYR 61 CO 0.68 -0.38 0.60 0.08 -2.51 0.00 0.00 175.55 174.02 2kpw s VAL 62 N -2.98 4.69 -0.60 -3.49 1.01 -1.26 -4.37 120.40 113.41 2kpw s VAL 62 Ca -0.02 1.29 -0.25 0.00 0.00 0.00 0.00 61.98 63.00 2kpw s VAL 62 Cb 0.01 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2kpw s VAL 62 CO -0.06 0.55 1.04 -0.22 0.00 0.00 0.00 175.10 176.41 2kpw s LEU 63 N -1.08 3.88 1.06 3.92 1.98 0.86 -4.84 118.68 124.46 2kpw s LEU 63 Ca 0.30 -0.35 -0.12 0.00 -2.89 0.00 0.00 54.13 51.06 2kpw s LEU 63 Cb -0.20 -2.81 0.22 0.00 0.66 0.00 0.00 46.19 44.06 2kpw s LEU 63 CO 0.20 -1.39 1.07 -0.54 -1.89 0.00 0.00 176.35 173.79 2kpw s LYS 64 N 4.42 -0.08 0.04 1.98 1.02 -1.26 -0.01 119.74 125.85 2kpw s LYS 64 Ca 0.33 0.70 -0.30 0.00 0.02 0.00 0.00 55.97 56.71 2kpw s LYS 64 Cb -0.11 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.48 2kpw s LYS 64 CO 0.19 -3.13 1.19 0.00 -0.92 0.00 0.00 175.35 172.69 2kpw s ALA 65 N -2.74 3.40 0.00 5.17 0.00 -1.26 -2.66 121.76 123.67 2kpw s ALA 65 Ca 0.67 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2kpw s ALA 65 Cb -0.21 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2kpw s ALA 65 CO 0.60 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.30 2kpw n GLY 66 N 3.23 0.38 3.64 0.00 0.00 0.11 -4.99 105.19 107.57 2kpw n GLY 66 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.57 4.13 -0.78 1.61 2.00 -1.09 -4.84 119.66 120.11 2kpw s GLN 67 Ca 0.00 1.11 -0.22 0.00 -2.00 0.00 0.00 55.36 54.24 2kpw s GLN 67 Cb 0.00 -3.70 0.08 0.00 0.80 0.00 0.00 33.01 30.19 2kpw s GLN 67 CO 0.00 -0.76 1.12 0.95 -0.50 0.00 0.00 175.29 176.10 2kpw s THR 68 N 3.37 4.27 -0.25 -0.34 -4.23 -1.26 -1.67 115.64 115.53 2kpw s THR 68 Ca 0.43 -0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 60.06 2kpw s THR 68 Cb -0.14 -4.79 0.01 0.00 1.34 0.00 0.00 72.50 68.92 2kpw s THR 68 CO 0.11 -1.60 1.07 0.54 -0.54 0.00 0.00 174.62 174.20 2kpw s VAL 69 N 4.12 4.60 -0.41 2.29 0.11 -0.48 -4.87 120.40 125.76 2kpw s VAL 69 Ca 0.30 1.92 -0.15 0.00 -2.93 0.00 0.00 61.98 61.11 2kpw s VAL 69 Cb -0.10 -4.31 0.02 0.00 -1.53 0.00 0.00 36.38 30.45 2kpw s VAL 69 CO 0.04 -0.26 0.30 -0.89 -3.33 0.00 0.00 175.10 170.96 2kpw s THR 70 N 3.35 5.26 -0.79 5.04 2.01 -1.26 -0.78 115.64 128.47 2kpw s THR 70 Ca 0.45 -0.65 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 2kpw s THR 70 Cb -0.15 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.43 2kpw s THR 70 CO 0.09 -0.31 1.67 -0.63 -0.69 0.00 0.00 174.62 174.75 2kpw s ILE 71 N 1.68 3.57 -0.04 1.82 -1.09 0.11 -3.20 121.20 124.05 2kpw s ILE 71 Ca 0.05 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.10 2kpw s ILE 71 Cb -0.19 -4.40 -0.02 0.00 -1.58 0.00 0.00 42.46 36.27 2kpw s ILE 71 CO 0.10 -1.34 0.99 0.26 -1.23 0.00 0.00 174.94 173.73 2kpw s TRP 72 N 7.77 3.60 0.98 3.97 0.52 -0.50 -0.71 118.94 134.57 2kpw s TRP 72 Ca 0.56 1.65 -0.11 0.00 0.02 0.00 0.00 56.10 58.23 2kpw s TRP 72 Cb -0.08 -3.15 0.18 0.00 -1.15 0.00 0.00 33.47 29.28 2kpw s TRP 72 CO 0.08 -0.12 1.11 0.00 0.02 0.00 0.00 176.95 178.05 2kpw s ALA 73 N 1.39 0.92 0.59 0.98 0.00 -0.65 0.19 121.76 125.18 2kpw s ALA 73 Ca 0.51 0.40 0.29 0.00 0.00 0.00 0.00 51.96 53.16 2kpw s ALA 73 Cb -0.20 -3.40 1.41 0.00 0.00 0.00 0.00 23.12 20.93 2kpw s ALA 73 CO 0.24 -3.07 1.81 0.00 0.00 0.00 0.00 175.76 174.73 2kpw h ALA 74 N -2.09 2.35 -0.50 0.00 0.00 -0.67 0.28 119.26 118.63 2kpw h ALA 74 Ca -0.48 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 2kpw h ALA 74 Cb 1.29 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 2kpw h ALA 74 CO 0.44 -0.91 0.30 0.09 0.00 0.00 0.00 179.25 179.16 2kpw n ASN 75 N -3.67 3.44 -0.13 0.00 3.02 -1.26 -4.50 115.26 112.16 2kpw n ASN 75 Ca 0.12 -2.81 0.03 0.00 -0.03 0.00 0.00 54.58 51.88 2kpw n ASN 75 Cb 0.83 -0.67 0.33 0.00 -0.61 0.00 0.00 39.78 39.66 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kpw h ALA 76 N 1.74 1.58 0.00 5.41 0.00 -0.74 -3.47 119.26 123.79 2kpw h ALA 76 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2kpw h ALA 76 Cb 1.89 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2kpw h ALA 76 CO 0.54 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.58 2kpw n GLY 77 N -1.44 0.80 3.47 0.00 0.00 -1.26 -5.01 105.19 101.74 2kpw n GLY 77 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.21 0.00 -2.52 1.61 0.24 -1.26 -5.11 118.33 109.08 2kpw n VAL 78 Ca 0.00 -2.02 -0.40 0.00 -2.04 0.00 0.00 64.34 59.88 2kpw n VAL 78 Cb 0.01 -0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 2kpw n VAL 78 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2kpw s THR 79 N -2.52 3.59 -1.09 3.34 2.01 -1.26 -4.91 115.64 114.79 2kpw s THR 79 Ca 0.26 1.59 -0.26 0.00 0.31 0.00 0.00 61.69 63.59 2kpw s THR 79 Cb -0.02 -4.01 -0.21 0.00 0.01 0.00 0.00 72.50 68.27 2kpw s THR 79 CO 0.16 0.38 2.07 0.00 -0.69 0.00 0.00 174.62 176.54 2kpw n ALA 80 N 1.28 0.58 -2.35 7.40 0.00 -1.26 -4.06 120.51 122.10 2kpw n ALA 80 Ca -0.01 -2.42 -0.00 0.00 0.00 0.00 0.00 53.44 51.01 2kpw n ALA 80 Cb 0.45 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.51 2kpw n ALA 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kpw n SER 81 N 18.60 -6.22 0.24 0.00 2.88 -1.26 -4.96 113.62 122.89 2kpw n SER 81 Ca 0.42 1.00 0.07 0.00 -1.33 0.00 0.00 58.87 59.03 2kpw n SER 81 Cb 0.47 -4.04 0.59 0.00 -0.75 0.00 0.00 64.21 60.48 2kpw n SER 81 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2kpw h PRO 82 N 2.13 0.03 0.00 -1.46 0.11 -1.85 -3.44 132.00 127.52 2kpw h PRO 82 Ca 0.00 -0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.64 2kpw h PRO 82 Cb 0.01 -0.01 0.04 0.00 0.11 0.00 0.00 31.00 31.16 2kpw h PRO 82 CO 0.07 0.07 -0.02 -0.35 -0.21 0.00 0.00 178.00 177.56 2kpw n PRO 83 N -4.48 0.42 0.00 1.05 -0.04 -1.26 -5.15 135.00 125.54 2kpw n PRO 83 Ca -0.03 -2.94 0.00 0.00 -0.04 0.00 0.00 63.50 60.50 2kpw n PRO 83 Cb 0.13 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 2kpw n PRO 83 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kpw n THR 84 N -2.39 0.00 -4.05 0.52 5.66 -1.26 -5.15 114.28 107.61 2kpw n THR 84 Ca 0.16 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.12 2kpw n THR 84 Cb 0.58 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.35 2kpw n THR 84 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2kpw n ASP 85 N 0.00 -0.14 -4.17 1.09 8.00 -1.26 -4.71 116.55 115.35 2kpw n ASP 85 Ca 0.00 -1.43 -0.29 0.00 0.71 0.00 0.00 54.79 53.78 2kpw n ASP 85 Cb 0.00 0.33 -0.17 0.00 -0.02 0.00 0.00 41.12 41.26 2kpw n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kpw s LEU 86 N 0.00 1.96 -0.21 0.64 1.43 -1.20 -4.26 118.68 117.05 2kpw s LEU 86 Ca 0.08 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 2kpw s LEU 86 Cb 0.00 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 2kpw s LEU 86 CO 0.06 0.15 0.34 -0.63 0.23 0.00 0.00 176.35 176.50 2kpw s ILE 87 N 0.23 5.23 -1.00 -0.59 1.09 -1.26 -1.41 121.20 123.48 2kpw s ILE 87 Ca -0.11 0.58 -0.23 0.00 -1.10 0.00 0.00 60.65 59.79 2kpw s ILE 87 Cb -0.15 -3.68 0.05 0.00 -1.06 0.00 0.00 42.46 37.62 2kpw s ILE 87 CO 0.05 0.27 1.43 0.86 -0.10 0.00 0.00 174.94 177.45 2kpw s TRP 88 N 1.28 2.54 -1.48 3.97 -0.00 0.13 -4.83 118.94 120.54 2kpw s TRP 88 Ca 0.16 -0.83 0.30 0.00 -0.00 0.00 0.00 56.10 55.74 2kpw s TRP 88 Cb -0.14 -4.68 1.55 0.00 -0.00 0.00 0.00 33.47 30.19 2kpw s TRP 88 CO 0.07 -1.93 2.07 1.63 -0.00 0.00 0.00 176.95 178.79 2kpw n LYS 89 N 8.83 0.49 0.09 5.86 5.02 -1.26 -1.50 118.16 135.68 2kpw n LYS 89 Ca 0.31 -0.01 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 2kpw n LYS 89 Cb 0.51 -1.50 0.35 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.25 0.74 -3.68 4.39 5.03 -1.26 -4.84 115.26 114.38 2kpw n ASN 90 Ca 0.15 0.44 -0.14 0.00 0.87 0.00 0.00 54.58 55.90 2kpw n ASN 90 Cb 0.23 -0.52 -0.09 0.00 -1.02 0.00 0.00 39.78 38.39 2kpw n ASN 90 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2kpw s GLN 91 N -3.11 0.67 0.96 3.52 0.74 -1.23 -5.08 119.66 116.12 2kpw s GLN 91 Ca 0.10 0.50 -0.14 0.00 0.05 0.00 0.00 55.36 55.87 2kpw s GLN 91 Cb 0.13 0.32 0.17 0.00 1.10 0.00 0.00 33.01 34.73 2kpw s GLN 91 CO 0.63 -0.13 1.16 -0.80 -0.55 0.00 0.00 175.29 175.60 2kpw s ASN 92 N -0.20 3.11 -0.26 6.67 -0.87 -1.26 -2.05 114.94 120.08 2kpw s ASN 92 Ca -0.04 0.81 -0.29 0.00 -1.57 0.00 0.00 52.86 51.77 2kpw s ASN 92 Cb -0.03 -1.26 -0.02 0.00 -0.02 0.00 0.00 41.25 39.92 2kpw s ASN 92 CO 0.03 -2.78 1.52 -0.94 -2.57 0.00 0.00 177.10 172.35 2kpw s SER 93 N -4.15 6.44 0.52 -1.22 1.04 -1.26 -4.70 113.70 110.37 2kpw s SER 93 Ca 0.66 1.43 0.18 0.00 0.48 0.00 0.00 55.95 58.70 2kpw s SER 93 Cb -0.12 -2.53 1.30 0.00 0.10 0.00 0.00 66.02 64.77 2kpw s SER 93 CO 0.54 -1.24 2.13 4.11 0.98 0.00 0.00 173.24 179.76 2kpw h TRP 94 N 10.40 0.00 -6.52 5.02 0.09 -1.85 -3.46 115.95 119.64 2kpw h TRP 94 Ca -0.31 0.00 -0.52 0.00 0.09 0.00 0.00 58.89 58.15 2kpw h TRP 94 Cb 1.13 0.00 -0.17 0.00 0.08 0.00 0.00 29.16 30.21 2kpw h TRP 94 CO 0.91 0.00 -0.78 0.41 0.09 0.00 0.00 178.44 179.07 2kpw n GLY 95 N -1.55 -0.46 0.09 11.11 0.00 -1.06 -4.79 105.19 108.53 2kpw n GLY 95 Ca -0.01 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.37 0.37 0.00 2.61 5.66 -1.02 -4.98 114.28 112.55 2kpw n THR 96 Ca 0.07 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 2kpw n THR 96 Cb 0.50 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 69.99 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 -0.22 2.00 1.01 1.09 0.00 -0.98 -5.00 105.19 103.10 2kpw n GLY 97 Ca 0.01 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2kpw n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kpw n GLU 98 N 3.43 -2.30 -3.17 1.61 -0.58 -1.26 -4.67 120.64 113.70 2kpw n GLU 98 Ca 0.00 1.84 -0.46 0.00 -0.42 0.00 0.00 57.16 58.12 2kpw n GLU 98 Cb 0.00 -2.70 -0.02 0.00 -0.57 0.00 0.00 31.44 28.15 2kpw n GLU 98 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2kpw s ASP 99 N -6.38 6.83 -0.10 1.62 -4.77 -1.26 -4.83 116.67 107.79 2kpw s ASP 99 Ca 0.00 -2.65 -0.12 0.00 -3.30 0.00 0.00 52.55 46.48 2kpw s ASP 99 Cb 0.00 -2.28 -0.05 0.00 -1.09 0.00 0.00 42.92 39.50 2kpw s ASP 99 CO 0.00 -0.70 0.29 0.54 0.70 0.00 0.00 175.17 176.00 2kpw s VAL 100 N 0.85 5.27 -0.17 2.11 0.11 -1.26 -4.86 120.40 122.46 2kpw s VAL 100 Ca 0.26 0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 59.86 2kpw s VAL 100 Cb -0.08 -3.60 -0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2kpw s VAL 100 CO -0.08 0.50 -0.13 -0.75 -3.33 0.00 0.00 175.10 171.31 2kpw s LYS 101 N -0.35 3.26 -0.13 1.54 2.20 -0.71 -1.76 119.74 123.79 2kpw s LYS 101 Ca 0.18 -0.72 -0.09 0.00 -0.36 0.00 0.00 55.97 54.98 2kpw s LYS 101 Cb -0.14 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 2kpw s LYS 101 CO 0.07 -0.03 0.18 0.08 -0.36 0.00 0.00 175.35 175.29 2kpw s VAL 102 N 0.95 5.41 -0.25 4.02 1.01 0.25 -2.03 120.40 129.76 2kpw s VAL 102 Ca -0.02 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 2kpw s VAL 102 Cb -0.15 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2kpw s VAL 102 CO -0.01 0.55 0.12 -0.63 0.00 0.00 0.00 175.10 175.12 2kpw s ILE 103 N -0.52 4.80 -0.26 2.22 -1.09 0.49 -2.08 121.20 124.76 2kpw s ILE 103 Ca 0.14 -0.01 -0.13 0.00 -2.23 0.00 0.00 60.65 58.42 2kpw s ILE 103 Cb -0.12 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 2kpw s ILE 103 CO 0.03 0.32 0.29 -0.76 -1.23 0.00 0.00 174.94 173.59 2kpw s LEU 104 N 1.51 4.07 0.17 2.97 1.43 -0.37 -0.96 118.68 127.49 2kpw s LEU 104 Ca 0.06 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 2kpw s LEU 104 Cb -0.15 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2kpw s LEU 104 CO 0.06 -0.08 -0.12 -0.54 0.23 0.00 0.00 176.35 175.90 2kpw s LYS 105 N 1.68 1.16 0.44 1.70 1.02 -0.65 -0.28 119.74 124.80 2kpw s LYS 105 Ca 0.12 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.64 2kpw s LYS 105 Cb -0.15 -0.85 -0.01 0.00 -0.52 0.00 0.00 37.83 36.30 2kpw s LYS 105 CO 0.09 0.13 0.66 -0.80 -0.92 0.00 0.00 175.35 174.51 2kpw s ASN 106 N -3.12 5.90 0.53 2.83 -0.87 -0.89 -0.43 114.94 118.88 2kpw s ASN 106 Ca 0.18 0.32 0.21 0.00 -1.57 0.00 0.00 52.86 52.00 2kpw s ASN 106 Cb 0.00 -1.62 1.35 0.00 -0.02 0.00 0.00 41.25 40.97 2kpw s ASN 106 CO 0.03 -0.65 2.07 0.77 -2.57 0.00 0.00 177.10 176.76 2kpw h SER 107 N 0.44 0.00 1.42 -1.22 4.64 -1.34 -1.96 113.55 115.53 2kpw h SER 107 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2kpw h SER 107 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2kpw h SER 107 CO 0.58 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 178.10 2kpw h GLN 108 N 0.00 0.00 0.00 4.77 4.20 -1.94 -3.48 115.11 118.66 2kpw h GLN 108 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2kpw h GLN 108 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2kpw h GLN 108 CO -0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2kpw n GLY 109 N 0.54 4.00 3.79 3.46 0.00 -0.74 -5.13 105.19 111.11 2kpw n GLY 109 Ca 0.02 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 1.22 0.10 1.61 -1.05 -1.26 -4.68 118.70 114.65 2kpw s GLU 110 Ca 0.00 0.33 -0.08 0.00 -0.15 0.00 0.00 54.97 55.07 2kpw s GLU 110 Cb 0.00 -1.85 -0.06 0.00 -0.44 0.00 0.00 34.13 31.79 2kpw s GLU 110 CO 0.00 -2.15 0.39 -2.00 0.95 0.00 0.00 175.26 172.45 2kpw s GLU 111 N -5.26 3.70 -0.18 -4.83 2.12 -1.26 -2.11 118.70 110.88 2kpw s GLU 111 Ca 0.63 0.07 -0.16 0.00 0.36 0.00 0.00 54.97 55.88 2kpw s GLU 111 Cb -0.15 -2.93 -0.06 0.00 0.26 0.00 0.00 34.13 31.25 2kpw s GLU 111 CO 0.53 0.52 -0.31 0.28 -0.54 0.00 0.00 175.26 175.75 2kpw n VAL 112 N 0.59 1.48 -3.50 3.70 0.31 0.61 -4.92 118.33 116.61 2kpw n VAL 112 Ca -0.06 0.14 -0.09 0.00 -0.01 0.00 0.00 64.34 64.32 2kpw n VAL 112 Cb 0.52 -2.34 -0.02 0.00 -0.91 0.00 0.00 33.84 31.09 2kpw n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kpw s ALA 113 N -2.86 -1.81 0.13 3.52 0.00 -1.19 -5.04 121.76 114.51 2kpw s ALA 113 Ca -0.26 0.99 0.08 0.00 0.00 0.00 0.00 51.96 52.76 2kpw s ALA 113 Cb 0.04 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2kpw s ALA 113 CO 0.39 -0.68 -0.20 1.14 0.00 0.00 0.00 175.76 176.41 2kpw s GLN 114 N -3.12 1.17 -0.13 0.00 -2.07 -1.26 -1.24 119.66 113.01 2kpw s GLN 114 Ca 0.04 -1.25 -0.22 0.00 -1.82 0.00 0.00 55.36 52.11 2kpw s GLN 114 Cb -0.01 -1.35 0.05 0.00 -1.09 0.00 0.00 33.01 30.62 2kpw s GLN 114 CO -0.09 0.30 0.56 0.50 -1.32 0.00 0.00 175.29 175.24 2kpw s ARG 115 N -2.25 0.79 0.49 9.60 3.52 -0.88 -4.99 118.95 125.22 2kpw s ARG 115 Ca 0.10 0.46 0.05 0.00 -0.13 0.00 0.00 55.73 56.20 2kpw s ARG 115 Cb -0.08 0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 2kpw s ARG 115 CO 0.05 -0.18 0.19 -1.54 -0.81 0.00 0.00 175.30 173.02 2kpw s SER 116 N -0.45 4.38 1.03 -2.12 1.04 -1.26 -0.58 113.70 115.74 2kpw s SER 116 Ca -0.06 -1.32 -0.08 0.00 0.48 0.00 0.00 55.95 54.97 2kpw s SER 116 Cb -0.03 0.12 0.12 0.00 0.10 0.00 0.00 66.02 66.33 2kpw s SER 116 CO 0.04 -0.82 0.59 0.35 0.98 0.00 0.00 173.24 174.39 2kpw n THR 117 N -1.41 0.00 -2.43 2.02 -2.24 -0.72 -4.52 114.28 104.98 2kpw n THR 117 Ca -0.07 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 60.89 2kpw n THR 117 Cb 0.65 -1.59 -0.02 0.00 -2.10 0.00 0.00 70.33 67.28 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 -2.24 4.10 -0.56 2.28 1.01 -1.26 -4.90 120.40 118.83 2kpw s VAL 118 Ca 0.35 1.20 -0.26 0.00 0.00 0.00 0.00 61.98 63.27 2kpw s VAL 118 Cb -0.02 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 2kpw s VAL 118 CO 0.25 -0.61 2.35 -0.36 0.00 0.00 0.00 175.10 176.73 2kpw s PHE 119 N 4.63 1.16 -0.28 5.22 0.08 -1.26 -4.85 117.98 122.68 2kpw s PHE 119 Ca 0.56 1.55 -0.00 0.00 0.12 0.00 0.00 56.93 59.15 2kpw s PHE 119 Cb -0.15 -3.62 0.09 0.00 -0.57 0.00 0.00 43.02 38.77 2kpw s PHE 119 CO 0.26 -2.33 0.06 0.21 -0.10 0.00 0.00 175.22 173.32 2kpw s LYS 120 N 8.23 0.93 -0.52 0.44 2.20 -1.26 -5.06 119.74 124.69 2kpw s LYS 120 Ca 0.93 -1.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 2kpw s LYS 120 Cb -0.16 -2.23 0.13 0.00 -1.51 0.00 0.00 37.83 34.07 2kpw s LYS 120 CO 0.22 -0.85 0.28 0.99 -0.36 0.00 0.00 175.35 175.63 2kpw s THR 121 N 1.56 2.96 -1.53 3.43 2.01 -1.26 -4.97 115.64 117.84 2kpw s THR 121 Ca 0.05 -2.96 0.12 0.00 0.31 0.00 0.00 61.69 59.21 2kpw s THR 121 Cb -0.18 -3.02 0.10 0.00 0.01 0.00 0.00 72.50 69.41 2kpw s THR 121 CO -0.17 -0.79 0.89 0.35 -0.69 0.00 0.00 174.62 174.21