#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 -3.72 3.68 3.17 0.00 -1.26 -4.85 105.19 102.20 2kpw n GLY 2 Ca 0.00 -0.88 -0.47 0.00 0.00 0.00 0.00 46.02 44.67 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 2.35 -3.84 1.61 -0.00 -1.26 -4.97 115.22 108.64 2kpw n HIS 3 Ca 0.00 0.03 -0.09 0.00 -0.00 0.00 0.00 57.72 57.66 2kpw n HIS 3 Cb 0.00 -2.65 -0.05 0.00 -0.00 0.00 0.00 29.99 27.30 2kpw n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpw s HIS 4 N 3.13 0.07 0.11 -1.40 4.02 -1.26 -5.17 115.29 114.78 2kpw s HIS 4 Ca 0.88 -0.43 0.04 0.00 1.02 0.00 0.00 55.06 56.57 2kpw s HIS 4 Cb -0.66 0.28 -0.04 0.00 -1.02 0.00 0.00 32.58 31.14 2kpw s HIS 4 CO 0.46 -0.90 0.07 -1.01 1.02 0.00 0.00 174.74 174.38 2kpw s HIS 5 N -3.92 3.12 -0.74 1.40 3.76 -1.26 -5.03 115.29 112.62 2kpw s HIS 5 Ca 0.13 0.02 -0.26 0.00 -0.15 0.00 0.00 55.06 54.81 2kpw s HIS 5 Cb -0.00 -1.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.05 2kpw s HIS 5 CO 0.00 0.51 2.15 -1.01 -0.85 0.00 0.00 174.74 175.54 2kpw s HIS 6 N -1.48 1.45 -0.16 1.40 0.09 -1.26 -4.90 115.29 110.43 2kpw s HIS 6 Ca 0.29 1.23 0.00 0.00 -0.00 0.00 0.00 55.06 56.58 2kpw s HIS 6 Cb -0.11 -3.79 0.03 0.00 -0.00 0.00 0.00 32.58 28.71 2kpw s HIS 6 CO 0.21 -1.94 -0.09 -1.58 -0.00 0.00 0.00 174.74 171.34 2kpw s HIS 7 N 11.67 1.95 -0.07 1.40 5.04 -1.26 -5.13 115.29 128.89 2kpw s HIS 7 Ca 0.81 -1.16 -0.06 0.00 -1.54 0.00 0.00 55.06 53.11 2kpw s HIS 7 Cb -0.11 -1.45 0.02 0.00 0.04 0.00 0.00 32.58 31.08 2kpw s HIS 7 CO 0.11 -0.64 0.18 -3.38 -2.34 0.00 0.00 174.74 168.67 2kpw s HIS 8 N 1.56 -0.21 -0.10 3.88 0.00 -1.26 -5.16 115.29 114.00 2kpw s HIS 8 Ca 0.02 0.52 -0.30 0.00 -3.00 0.00 0.00 55.06 52.30 2kpw s HIS 8 Cb -0.14 0.05 0.10 0.00 -4.00 0.00 0.00 32.58 28.59 2kpw s HIS 8 CO -0.09 -0.12 0.87 0.45 -1.00 0.00 0.00 174.74 174.85 2kpw s SER 9 N 0.35 -0.47 -0.83 7.38 0.15 -1.26 -5.12 113.70 113.90 2kpw s SER 9 Ca -0.02 0.47 -0.19 0.00 0.70 0.00 0.00 55.95 56.90 2kpw s SER 9 Cb -0.03 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.80 2kpw s SER 9 CO -0.01 -0.47 1.02 -1.00 1.20 0.00 0.00 173.24 173.97 2kpw s HIS 10 N -1.37 3.07 -0.22 3.44 0.09 -1.26 -5.01 115.29 114.02 2kpw s HIS 10 Ca -0.04 -1.22 -0.13 0.00 -0.00 0.00 0.00 55.06 53.67 2kpw s HIS 10 Cb -0.00 -4.22 -0.05 0.00 -0.00 0.00 0.00 32.58 28.31 2kpw s HIS 10 CO 0.03 -1.46 0.25 -1.64 -0.00 0.00 0.00 174.74 171.92 2kpw s MET 11 N 2.76 4.12 0.14 1.40 1.00 -1.26 -5.01 119.30 122.45 2kpw s MET 11 Ca 0.27 -0.08 -0.18 0.00 0.00 0.00 0.00 55.69 55.70 2kpw s MET 11 Cb -0.10 -3.53 -0.01 0.00 0.00 0.00 0.00 34.83 31.20 2kpw s MET 11 CO -0.04 0.05 1.76 0.00 0.00 0.00 0.00 175.02 176.79 2kpw h THR 12 N 4.99 0.96 -3.80 2.05 1.03 -1.99 -3.49 112.91 112.66 2kpw h THR 12 Ca -0.38 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 2kpw h THR 12 Cb 1.17 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 2kpw h THR 12 CO 0.69 0.04 -0.35 0.61 -0.01 0.00 0.00 175.52 176.50 2kpw n GLY 13 N -1.18 -3.16 0.32 2.99 0.00 -1.26 -5.02 105.19 97.88 2kpw n GLY 13 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.14 2kpw n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kpw n ASN 14 N 0.20 1.82 -4.57 1.61 3.02 -1.26 -4.94 115.26 111.14 2kpw n ASN 14 Ca 0.00 -3.07 -0.40 0.00 -0.03 0.00 0.00 54.58 51.08 2kpw n ASN 14 Cb 0.02 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.75 2kpw n ASN 14 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kpw s VAL 15 N -2.43 3.95 0.05 2.41 1.01 -1.26 -2.01 120.40 122.11 2kpw s VAL 15 Ca 0.29 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2kpw s VAL 15 Cb 0.27 -5.02 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 2kpw s VAL 15 CO -0.01 -1.87 0.26 0.00 0.00 0.00 0.00 175.10 173.48 2kpw s ILE 17 N -1.44 3.96 0.21 0.00 1.09 -1.26 -0.28 121.20 123.47 2kpw s ILE 17 Ca 0.32 -0.16 -0.06 0.00 -1.10 0.00 0.00 60.65 59.66 2kpw s ILE 17 Cb -0.13 -4.90 0.07 0.00 -1.06 0.00 0.00 42.46 36.45 2kpw s ILE 17 CO 0.22 -1.78 1.67 -0.08 -0.10 0.00 0.00 174.94 174.87 2kpw h GLU 18 N 9.80 0.93 -2.87 2.79 4.81 -1.83 -3.45 114.58 124.76 2kpw h GLU 18 Ca -0.14 -0.30 -0.17 0.00 -0.13 0.00 0.00 59.36 58.63 2kpw h GLU 18 Cb 1.04 -0.08 -0.29 0.00 0.63 0.00 0.00 28.75 30.05 2kpw h GLU 18 CO 1.28 0.95 -0.42 -2.00 -0.73 0.00 0.00 179.01 178.10 2kpw s GLU 19 N -4.92 0.27 -0.13 1.92 2.12 -1.14 -5.09 118.70 111.74 2kpw s GLU 19 Ca -0.11 0.64 0.01 0.00 0.36 0.00 0.00 54.97 55.88 2kpw s GLU 19 Cb 0.14 -0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 2kpw s GLU 19 CO 0.84 -0.17 -0.17 0.42 -0.54 0.00 0.00 175.26 175.64 2kpw s ILE 20 N 1.37 2.62 -0.24 -3.70 1.01 -1.26 -0.81 121.20 120.20 2kpw s ILE 20 Ca -0.09 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.46 2kpw s ILE 20 Cb -0.10 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2kpw s ILE 20 CO -0.10 0.53 1.56 -0.62 0.00 0.00 0.00 174.94 176.31 2kpw s ASP 21 N 0.46 6.43 0.33 3.58 2.15 -0.28 -4.89 116.67 124.45 2kpw s ASP 21 Ca -0.12 1.54 0.10 0.00 0.43 0.00 0.00 52.55 54.50 2kpw s ASP 21 Cb -0.16 -2.53 0.58 0.00 -0.30 0.00 0.00 42.92 40.50 2kpw s ASP 21 CO 0.05 -1.23 1.76 1.62 -0.17 0.00 0.00 175.17 177.20 2kpw h VAL 22 N 6.12 1.30 -0.32 1.11 3.04 -1.94 -3.16 116.25 122.39 2kpw h VAL 22 Ca -0.32 -1.43 0.04 0.00 -1.01 0.00 0.00 66.70 63.97 2kpw h VAL 22 Cb 1.14 1.71 -0.04 0.00 -2.01 0.00 0.00 31.29 32.09 2kpw h VAL 22 CO 1.01 0.42 0.10 -0.78 -1.01 0.00 0.00 177.57 177.31 2kpw h ASP 23 N 0.10 0.10 0.00 3.17 3.58 -1.90 -3.22 116.42 118.25 2kpw h ASP 23 Ca 0.01 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kpw h ASP 23 Cb 0.75 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2kpw h ASP 23 CO 0.06 0.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.12 2kpw n GLY 24 N -1.21 0.38 0.05 -0.78 0.00 -1.20 -3.51 105.19 98.93 2kpw n GLY 24 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.33 -3.94 1.61 5.02 -1.26 -3.56 118.16 116.36 2kpw n LYS 25 Ca 0.00 0.27 -0.09 0.00 -2.02 0.00 0.00 58.31 56.48 2kpw n LYS 25 Cb 0.00 -1.23 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.06 0.31 -0.25 2.13 -0.71 -1.26 -1.70 117.98 114.43 2kpw s PHE 26 Ca -0.15 -0.75 -0.01 0.00 -1.04 0.00 0.00 56.93 54.99 2kpw s PHE 26 Cb 0.02 -0.15 0.04 0.00 -1.21 0.00 0.00 43.02 41.72 2kpw s PHE 26 CO 0.22 -0.54 -0.07 0.42 -1.34 0.00 0.00 175.22 173.91 2kpw s ILE 27 N -3.90 2.71 -0.36 -4.49 1.01 0.23 -1.13 121.20 115.27 2kpw s ILE 27 Ca 0.09 -1.18 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 2kpw s ILE 27 Cb 0.05 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2kpw s ILE 27 CO -0.08 0.13 0.22 -0.60 0.00 0.00 0.00 174.94 174.62 2kpw s ARG 28 N 1.27 3.17 0.29 2.79 3.52 0.01 -0.55 118.95 129.46 2kpw s ARG 28 Ca -0.02 -0.86 -0.05 0.00 -0.13 0.00 0.00 55.73 54.67 2kpw s ARG 28 Cb -0.17 -3.77 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 2kpw s ARG 28 CO -0.05 -0.57 0.56 -0.51 -0.81 0.00 0.00 175.30 173.93 2kpw s LEU 29 N 1.64 4.05 -0.17 -0.88 1.02 0.50 -2.87 118.68 121.97 2kpw s LEU 29 Ca 0.04 0.74 -0.07 0.00 0.02 0.00 0.00 54.13 54.86 2kpw s LEU 29 Cb -0.18 -3.56 0.08 0.00 0.02 0.00 0.00 46.19 42.55 2kpw s LEU 29 CO 0.08 -0.20 0.38 -0.75 0.02 0.00 0.00 176.35 175.88 2kpw s LYS 30 N -3.54 0.31 -0.05 1.70 2.20 0.61 -1.96 119.74 119.01 2kpw s LYS 30 Ca 0.44 0.90 -0.26 0.00 -0.36 0.00 0.00 55.97 56.69 2kpw s LYS 30 Cb -0.11 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 2kpw s LYS 30 CO 0.30 -0.23 0.82 1.21 -0.36 0.00 0.00 175.35 177.09 2kpw s ASN 31 N 2.18 7.13 -0.02 1.43 2.47 -0.58 -2.05 114.94 125.49 2kpw s ASN 31 Ca -0.04 1.36 0.12 0.00 0.42 0.00 0.00 52.86 54.73 2kpw s ASN 31 Cb -0.11 -2.47 0.36 0.00 -1.45 0.00 0.00 41.25 37.58 2kpw s ASN 31 CO -0.12 -0.19 1.30 1.07 -3.72 0.00 0.00 177.10 175.44 2kpw n THR 32 N 3.90 1.17 -1.96 -5.21 5.66 -0.85 -2.47 114.28 114.51 2kpw n THR 32 Ca 0.02 -1.10 -0.30 0.00 -3.05 0.00 0.00 64.05 59.62 2kpw n THR 32 Cb 0.51 0.41 0.04 0.00 -1.55 0.00 0.00 70.33 69.73 2kpw n THR 32 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2kpw s SER 33 N -1.10 5.66 0.28 1.09 1.04 -1.26 -4.92 113.70 114.48 2kpw s SER 33 Ca 0.28 1.14 0.23 0.00 0.48 0.00 0.00 55.95 58.08 2kpw s SER 33 Cb 0.16 -2.03 0.27 0.00 0.10 0.00 0.00 66.02 64.52 2kpw s SER 33 CO 0.16 -1.19 1.37 -0.33 0.98 0.00 0.00 173.24 174.24 2kpw h GLU 34 N -0.50 0.00 -6.24 4.02 5.08 -1.97 -3.36 114.58 111.61 2kpw h GLU 34 Ca -0.45 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.34 2kpw h GLU 34 Cb 1.24 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.27 2kpw h GLU 34 CO 0.63 0.00 -0.83 -1.14 -1.00 0.00 0.00 179.01 176.67 2kpw s GLN 35 N -3.25 1.16 0.35 2.33 0.74 -1.26 -4.88 119.66 114.85 2kpw s GLN 35 Ca 0.04 -1.17 -0.28 0.00 0.05 0.00 0.00 55.36 54.00 2kpw s GLN 35 Cb 0.09 -1.45 -0.12 0.00 1.10 0.00 0.00 33.01 32.63 2kpw s GLN 35 CO 0.71 0.34 1.34 -0.25 -0.55 0.00 0.00 175.29 176.88 2kpw n ASP 36 N 1.10 3.02 -4.47 6.67 8.00 -1.26 -4.42 116.55 125.19 2kpw n ASP 36 Ca -0.19 1.21 -0.38 0.00 0.71 0.00 0.00 54.79 56.14 2kpw n ASP 36 Cb 0.53 -1.52 -0.12 0.00 -0.02 0.00 0.00 41.12 40.00 2kpw n ASP 36 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kpw s GLN 37 N -1.91 3.51 0.05 -1.24 -1.52 0.60 -4.91 119.66 114.23 2kpw s GLN 37 Ca 0.55 -0.60 -0.31 0.00 -1.95 0.00 0.00 55.36 53.05 2kpw s GLN 37 Cb -0.55 -3.53 -0.06 0.00 -0.22 0.00 0.00 33.01 28.65 2kpw s GLN 37 CO 0.62 -0.33 1.35 -1.25 -0.25 0.00 0.00 175.29 175.43 2kpw s PRO 38 N 1.64 4.33 0.00 2.91 0.04 -1.26 -2.31 135.00 140.34 2kpw s PRO 38 Ca 0.05 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2kpw s PRO 38 Cb -0.16 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.96 2kpw s PRO 38 CO 0.06 -0.46 0.04 -0.12 0.04 0.00 0.00 177.00 176.57 2kpw n MET 39 N 4.61 0.00 0.00 4.56 1.56 -1.26 -4.91 117.12 121.68 2kpw n MET 39 Ca 0.12 0.45 0.00 0.00 -0.27 0.00 0.00 57.70 58.00 2kpw n MET 39 Cb 0.44 -0.97 0.00 0.00 2.15 0.00 0.00 33.22 34.84 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 1.92 1.16 0.00 -5.12 0.00 -1.26 -3.94 105.19 97.95 2kpw n GLY 40 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kpw n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kpw n GLY 41 N 0.00 -1.80 3.73 -0.02 0.00 -1.26 -4.62 105.19 101.22 2kpw n GLY 41 Ca 0.00 0.62 -0.34 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 2.12 -0.15 1.61 0.52 -1.25 -4.21 118.94 117.58 2kpw s TRP 42 Ca 0.00 1.58 -0.01 0.00 0.02 0.00 0.00 56.10 57.69 2kpw s TRP 42 Cb 0.00 -3.47 0.04 0.00 -1.15 0.00 0.00 33.47 28.89 2kpw s TRP 42 CO 0.00 -2.53 -0.05 -2.00 0.02 0.00 0.00 176.95 172.39 2kpw s GLU 43 N -3.84 1.34 -0.47 4.98 2.12 0.23 -0.09 118.70 122.98 2kpw s GLU 43 Ca 0.75 -0.40 -0.24 0.00 0.36 0.00 0.00 54.97 55.43 2kpw s GLU 43 Cb -0.29 -1.84 0.03 0.00 0.26 0.00 0.00 34.13 32.29 2kpw s GLU 43 CO 0.43 -0.40 0.86 1.41 -0.54 0.00 0.00 175.26 177.03 2kpw s MET 44 N 1.69 3.45 -1.00 4.30 -2.45 0.11 -2.43 119.30 122.97 2kpw s MET 44 Ca 0.02 -0.01 -0.22 0.00 -1.25 0.00 0.00 55.69 54.23 2kpw s MET 44 Cb -0.15 -3.95 0.08 0.00 1.25 0.00 0.00 34.83 32.06 2kpw s MET 44 CO -0.08 -1.20 1.36 0.42 1.05 0.00 0.00 175.02 176.57 2kpw s ILE 45 N 3.56 4.18 -0.67 10.11 1.09 -0.30 -0.66 121.20 138.50 2kpw s ILE 45 Ca 0.33 -1.05 -0.27 0.00 -1.10 0.00 0.00 60.65 58.56 2kpw s ILE 45 Cb -0.11 -4.98 0.02 0.00 -1.06 0.00 0.00 42.46 36.33 2kpw s ILE 45 CO 0.24 -1.81 1.42 -0.60 -0.10 0.00 0.00 174.94 174.09 2kpw s ARG 46 N 4.24 3.11 0.80 2.79 3.00 0.53 -2.48 118.95 130.95 2kpw s ARG 46 Ca 0.42 0.09 -0.09 0.00 -1.00 0.00 0.00 55.73 55.14 2kpw s ARG 46 Cb -0.01 -4.20 0.18 0.00 0.00 0.00 0.00 34.95 30.91 2kpw s ARG 46 CO -0.09 -2.21 1.10 1.63 0.00 0.00 0.00 175.30 175.72 2kpw n LYS 47 N 9.16 -0.76 0.00 5.12 5.02 0.14 -1.17 118.16 135.68 2kpw n LYS 47 Ca 0.09 -2.09 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 2kpw n LYS 47 Cb 0.50 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 2kpw n LYS 47 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2kpw n ILE 48 N -3.31 0.00 0.00 -0.18 3.06 -1.17 -1.07 119.36 116.68 2kpw n ILE 48 Ca 0.15 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.40 2kpw n ILE 48 Cb 0.53 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.71 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 -0.63 -1.82 0.36 4.50 0.00 -1.26 -4.52 105.19 101.82 2kpw n GLY 49 Ca 0.00 0.67 0.14 0.00 0.00 0.00 0.00 46.02 46.83 2kpw n GLY 49 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kpw n ASP 50 N 0.00 1.11 -3.74 1.61 5.75 -1.26 -4.92 116.55 115.10 2kpw n ASP 50 Ca 0.00 -1.36 -0.10 0.00 -0.01 0.00 0.00 54.79 53.32 2kpw n ASP 50 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2kpw s THR 51 N -2.01 0.03 -0.04 2.12 -1.32 -1.26 -5.18 115.64 107.97 2kpw s THR 51 Ca 0.40 -0.78 -0.20 0.00 -1.21 0.00 0.00 61.69 59.91 2kpw s THR 51 Cb 0.21 -1.57 0.04 0.00 -1.51 0.00 0.00 72.50 69.67 2kpw s THR 51 CO 0.35 -0.12 0.44 -0.94 -2.21 0.00 0.00 174.62 172.14 2kpw s SER 52 N -2.87 -0.36 -0.03 8.08 1.04 -1.26 -3.07 113.70 115.23 2kpw s SER 52 Ca 0.09 0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.91 2kpw s SER 52 Cb -0.01 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2kpw s SER 52 CO -0.03 -0.47 -0.09 0.54 0.98 0.00 0.00 173.24 174.17 2kpw s VAL 53 N -1.14 0.79 -0.40 5.02 0.11 -0.32 -4.94 120.40 119.52 2kpw s VAL 53 Ca -0.12 -0.35 -0.19 0.00 -2.93 0.00 0.00 61.98 58.40 2kpw s VAL 53 Cb -0.03 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 2kpw s VAL 53 CO 0.06 0.25 0.53 -0.44 -3.33 0.00 0.00 175.10 172.17 2kpw s SER 54 N 0.30 6.28 -0.24 3.54 0.01 -1.26 -0.34 113.70 121.98 2kpw s SER 54 Ca -0.05 -0.35 -0.08 0.00 1.31 0.00 0.00 55.95 56.78 2kpw s SER 54 Cb -0.10 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2kpw s SER 54 CO 0.01 -0.61 0.10 -0.47 0.41 0.00 0.00 173.24 172.67 2kpw s TYR 55 N 2.45 3.17 -0.33 2.43 5.04 0.17 -4.93 117.35 125.35 2kpw s TYR 55 Ca 0.18 -0.14 -0.16 0.00 -2.44 0.00 0.00 57.07 54.50 2kpw s TYR 55 Cb -0.16 -2.23 -0.02 0.00 0.35 0.00 0.00 41.96 39.91 2kpw s TYR 55 CO 0.15 -0.16 0.42 0.21 -1.34 0.00 0.00 175.55 174.83 2kpw s LYS 56 N 1.30 3.70 0.05 4.97 2.20 -1.26 0.06 119.74 130.76 2kpw s LYS 56 Ca 0.06 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.17 2kpw s LYS 56 Cb -0.15 -3.77 -0.09 0.00 -1.51 0.00 0.00 37.83 32.32 2kpw s LYS 56 CO 0.05 -0.51 1.88 0.71 -0.36 0.00 0.00 175.35 177.12 2kpw s TYR 57 N 2.18 1.64 0.18 4.03 2.02 0.87 -4.94 117.35 123.33 2kpw s TYR 57 Ca 0.15 -0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.31 2kpw s TYR 57 Cb -0.16 -4.18 -0.09 0.00 -0.40 0.00 0.00 41.96 37.13 2kpw s TYR 57 CO 0.12 -5.12 1.42 -0.08 -1.57 0.00 0.00 175.55 170.32 2kpw s THR 58 N 3.86 2.97 -0.63 -0.71 -1.32 -1.26 -4.18 115.64 114.37 2kpw s THR 58 Ca 0.84 0.74 0.00 0.00 -1.21 0.00 0.00 61.69 62.06 2kpw s THR 58 Cb -0.42 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.09 2kpw s THR 58 CO 0.38 0.09 0.46 -1.54 -2.21 0.00 0.00 174.62 171.80 2kpw n SER 59 N 3.23 1.17 0.00 8.08 3.41 -1.26 -3.95 113.62 124.30 2kpw n SER 59 Ca 0.10 -1.34 0.09 0.00 -0.26 0.00 0.00 58.87 57.46 2kpw n SER 59 Cb 0.41 -0.34 0.45 0.00 -0.26 0.00 0.00 64.21 64.47 2kpw n SER 59 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2kpw n ARG 60 N 0.35 0.13 -3.82 4.33 1.85 -1.26 -4.78 116.66 113.46 2kpw n ARG 60 Ca 0.00 0.14 -0.12 0.00 -1.00 0.00 0.00 57.85 56.87 2kpw n ARG 60 Cb 0.23 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.03 2kpw n ARG 60 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2kpw s TYR 61 N -2.80 -0.12 -0.24 2.89 1.13 -1.25 -4.99 117.35 111.97 2kpw s TYR 61 Ca 0.13 0.26 -0.10 0.00 -1.41 0.00 0.00 57.07 55.95 2kpw s TYR 61 Cb 0.13 0.03 -0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2kpw s TYR 61 CO 0.32 -0.21 0.13 0.08 -2.51 0.00 0.00 175.55 173.37 2kpw s VAL 62 N -0.65 5.12 -0.69 -3.49 1.01 -1.26 -4.61 120.40 115.84 2kpw s VAL 62 Ca -0.07 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.74 2kpw s VAL 62 Cb -0.04 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2kpw s VAL 62 CO 0.01 0.35 1.61 -0.22 0.00 0.00 0.00 175.10 176.85 2kpw s LEU 63 N 1.09 3.24 0.95 3.92 1.98 -0.98 -4.93 118.68 123.95 2kpw s LEU 63 Ca 0.06 -0.08 -0.12 0.00 -2.89 0.00 0.00 54.13 51.11 2kpw s LEU 63 Cb -0.14 -2.54 0.16 0.00 0.66 0.00 0.00 46.19 44.33 2kpw s LEU 63 CO 0.04 -2.14 1.09 -0.54 -1.89 0.00 0.00 176.35 172.91 2kpw s LYS 64 N 6.43 0.78 0.09 1.98 1.02 -1.26 -0.29 119.74 128.50 2kpw s LYS 64 Ca 0.53 0.92 -0.31 0.00 0.02 0.00 0.00 55.97 57.13 2kpw s LYS 64 Cb -0.10 -1.75 -0.09 0.00 -0.52 0.00 0.00 37.83 35.37 2kpw s LYS 64 CO 0.17 -2.59 1.68 0.00 -0.92 0.00 0.00 175.35 173.68 2kpw s ALA 65 N -2.80 3.72 -0.52 5.17 0.00 -1.26 -2.11 121.76 123.95 2kpw s ALA 65 Ca 0.65 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.89 2kpw s ALA 65 Cb -0.20 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2kpw s ALA 65 CO 0.59 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2kpw n GLY 66 N 4.01 0.73 3.89 0.00 0.00 -1.03 -5.01 105.19 107.79 2kpw n GLY 66 Ca 0.16 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.94 3.69 0.06 1.61 2.00 -0.89 -4.83 119.66 119.35 2kpw s GLN 67 Ca 0.00 0.11 0.09 0.00 -2.00 0.00 0.00 55.36 53.55 2kpw s GLN 67 Cb 0.00 -2.64 -0.03 0.00 0.80 0.00 0.00 33.01 31.14 2kpw s GLN 67 CO 0.00 0.25 -0.24 0.95 -0.50 0.00 0.00 175.29 175.74 2kpw s THR 68 N -1.99 1.97 -0.01 -0.34 -4.23 -1.26 -1.52 115.64 108.25 2kpw s THR 68 Ca 0.45 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2kpw s THR 68 Cb -0.11 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.03 2kpw s THR 68 CO 0.27 0.25 -0.05 0.54 -0.54 0.00 0.00 174.62 175.09 2kpw s VAL 69 N -0.86 0.42 -0.17 2.29 0.11 -0.83 -4.93 120.40 116.44 2kpw s VAL 69 Ca 0.10 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2kpw s VAL 69 Cb -0.10 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 2kpw s VAL 69 CO 0.03 0.14 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.86 2kpw s THR 70 N 0.09 2.28 -0.49 5.04 2.01 -1.23 -0.37 115.64 122.97 2kpw s THR 70 Ca -0.01 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 60.93 2kpw s THR 70 Cb -0.05 -1.95 0.05 0.00 0.01 0.00 0.00 72.50 70.56 2kpw s THR 70 CO -0.00 0.53 0.57 -0.63 -0.69 0.00 0.00 174.62 174.39 2kpw s ILE 71 N 1.08 4.95 -0.22 1.82 -1.09 0.29 0.03 121.20 128.07 2kpw s ILE 71 Ca -0.00 -0.51 -0.18 0.00 -2.23 0.00 0.00 60.65 57.72 2kpw s ILE 71 Cb -0.14 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 2kpw s ILE 71 CO -0.07 -0.71 0.51 0.26 -1.23 0.00 0.00 174.94 173.71 2kpw s TRP 72 N 2.44 3.34 -1.28 3.97 0.52 0.51 -0.60 118.94 127.84 2kpw s TRP 72 Ca 0.14 0.73 -0.19 0.00 0.02 0.00 0.00 56.10 56.80 2kpw s TRP 72 Cb -0.19 -2.68 0.06 0.00 -1.15 0.00 0.00 33.47 29.50 2kpw s TRP 72 CO 0.12 -0.15 1.74 0.00 0.02 0.00 0.00 176.95 178.69 2kpw s ALA 73 N 1.80 3.16 0.00 0.98 0.00 -0.69 -0.03 121.76 126.98 2kpw s ALA 73 Ca 0.23 -2.82 0.00 0.00 0.00 0.00 0.00 51.96 49.37 2kpw s ALA 73 Cb -0.15 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.32 2kpw s ALA 73 CO 0.09 -3.48 0.00 0.00 0.00 0.00 0.00 175.76 172.37 2kpw n ALA 74 N 8.95 0.00 0.05 0.00 0.00 -0.67 -2.23 120.51 126.60 2kpw n ALA 74 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2kpw n ALA 74 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2kpw n ALA 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kpw n ASN 75 N 0.26 2.86 -0.04 0.00 3.02 -1.26 -4.18 115.26 115.93 2kpw n ASN 75 Ca 0.00 -1.67 -0.13 0.00 -0.03 0.00 0.00 54.58 52.75 2kpw n ASN 75 Cb 0.00 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 38.49 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 2.04 -0.02 -0.94 5.41 0.00 -1.88 -3.49 119.26 120.38 2kpw h ALA 76 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2kpw h ALA 76 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2kpw h ALA 76 CO 0.00 -0.13 -0.01 0.41 0.00 0.00 0.00 179.25 179.52 2kpw n GLY 77 N 0.97 0.85 3.96 0.00 0.00 -1.26 -5.08 105.19 104.62 2kpw n GLY 77 Ca -0.09 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.86 2.49 -0.76 1.61 -7.23 -1.26 -5.02 120.40 107.36 2kpw s VAL 78 Ca 0.01 -1.18 -0.25 0.00 -1.81 0.00 0.00 61.98 58.75 2kpw s VAL 78 Cb -0.00 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 2kpw s VAL 78 CO 0.01 0.00 2.01 -0.89 -0.31 0.00 0.00 175.10 175.92 2kpw s THR 79 N -2.53 3.33 0.00 5.32 2.01 -1.26 -4.77 115.64 117.74 2kpw s THR 79 Ca 0.52 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.40 2kpw s THR 79 Cb -0.06 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2kpw s THR 79 CO 0.31 -0.75 0.00 0.00 -0.69 0.00 0.00 174.62 173.49 2kpw n ALA 80 N 14.32 0.00 -3.16 7.40 0.00 -1.26 -4.16 120.51 133.64 2kpw n ALA 80 Ca 0.34 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.83 2kpw n ALA 80 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 -4.00 -0.66 0.98 0.00 0.15 -1.26 -4.83 113.70 104.08 2kpw s SER 81 Ca 0.00 0.44 -0.15 0.00 0.70 0.00 0.00 55.95 56.93 2kpw s SER 81 Cb 0.00 1.56 -0.06 0.00 -1.71 0.00 0.00 66.02 65.82 2kpw s SER 81 CO 0.00 -0.12 -0.24 -2.65 1.20 0.00 0.00 173.24 171.43 2kpw n PRO 82 N 5.44 -0.19 -1.43 5.44 -0.02 -1.26 -4.94 135.00 138.04 2kpw n PRO 82 Ca -0.06 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2kpw n PRO 82 Cb 0.53 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2kpw n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kpw n PRO 83 N 0.38 -0.27 0.00 0.52 -0.02 -1.26 -4.76 135.00 129.60 2kpw n PRO 83 Ca 0.02 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2kpw n PRO 83 Cb 0.56 0.24 0.00 0.00 -0.02 0.00 0.00 33.50 34.27 2kpw n PRO 83 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2kpw n THR 84 N -0.33 0.00 -2.34 3.45 5.66 -1.26 -5.11 114.28 114.35 2kpw n THR 84 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 2kpw n THR 84 Cb 0.00 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 68.88 2kpw n THR 84 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2kpw s ASP 85 N 0.00 4.42 -0.02 1.09 1.01 -1.26 -3.58 116.67 118.33 2kpw s ASP 85 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.35 2kpw s ASP 85 Cb 0.00 -0.57 0.03 0.00 1.01 0.00 0.00 42.92 43.39 2kpw s ASP 85 CO 0.00 -1.83 0.03 -0.76 0.21 0.00 0.00 175.17 172.82 2kpw s LEU 86 N -5.26 1.13 -0.54 1.23 1.43 0.10 -4.02 118.68 112.75 2kpw s LEU 86 Ca 0.64 0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.54 2kpw s LEU 86 Cb -0.08 -0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.12 2kpw s LEU 86 CO 0.45 -0.12 0.90 -0.63 0.23 0.00 0.00 176.35 177.18 2kpw s ILE 87 N 1.01 4.45 -0.71 -0.59 1.09 -1.26 -0.37 121.20 124.82 2kpw s ILE 87 Ca -0.08 0.22 -0.26 0.00 -1.10 0.00 0.00 60.65 59.42 2kpw s ILE 87 Cb -0.12 -4.50 0.00 0.00 -1.06 0.00 0.00 42.46 36.77 2kpw s ILE 87 CO -0.03 -1.06 1.63 0.86 -0.10 0.00 0.00 174.94 176.24 2kpw s TRP 88 N 3.79 1.96 0.21 3.97 -0.11 0.95 -4.85 118.94 124.85 2kpw s TRP 88 Ca 0.29 0.36 0.13 0.00 1.22 0.00 0.00 56.10 58.10 2kpw s TRP 88 Cb -0.13 -4.33 0.41 0.00 -1.50 0.00 0.00 33.47 27.92 2kpw s TRP 88 CO 0.19 -2.15 1.62 0.87 -4.62 0.00 0.00 176.95 172.85 2kpw h LYS 89 N 12.50 0.00 0.00 5.86 1.57 -1.94 -1.79 116.57 132.76 2kpw h LYS 89 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2kpw h LYS 89 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2kpw h LYS 89 CO 1.25 0.56 0.00 -0.91 -0.57 0.00 0.00 179.45 179.79 2kpw h ASN 90 N 0.00 0.00 -3.77 0.86 4.21 -1.98 -3.44 115.58 111.46 2kpw h ASN 90 Ca -0.01 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.33 2kpw h ASN 90 Cb 1.09 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.03 2kpw h ASN 90 CO 0.07 0.00 -0.48 -1.58 -1.29 0.00 0.00 177.43 174.16 2kpw s GLN 91 N -3.42 0.24 0.38 0.81 0.74 -1.24 -5.12 119.66 112.06 2kpw s GLN 91 Ca 0.04 0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.74 2kpw s GLN 91 Cb 0.09 0.10 0.08 0.00 1.10 0.00 0.00 33.01 34.38 2kpw s GLN 91 CO 0.48 -0.04 0.52 0.09 -0.55 0.00 0.00 175.29 175.80 2kpw n ASN 92 N 3.07 0.56 -4.68 6.67 5.03 -1.26 -2.89 115.26 121.76 2kpw n ASN 92 Ca -0.14 -1.51 -0.47 0.00 0.87 0.00 0.00 54.58 53.34 2kpw n ASN 92 Cb 0.58 -0.35 -0.04 0.00 -1.02 0.00 0.00 39.78 38.94 2kpw n ASN 92 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2kpw n SER 93 N -3.04 3.62 -0.06 6.41 3.41 -0.95 -4.80 113.62 118.21 2kpw n SER 93 Ca 0.08 0.96 -0.13 0.00 -0.26 0.00 0.00 58.87 59.52 2kpw n SER 93 Cb 0.29 -1.41 -0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2kpw n SER 93 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2kpw h TRP 94 N 9.42 0.98 -5.84 7.33 0.09 -1.89 -3.49 115.95 122.55 2kpw h TRP 94 Ca -0.49 -0.34 -0.27 0.00 0.09 0.00 0.00 58.89 57.89 2kpw h TRP 94 Cb 1.26 -0.19 0.08 0.00 0.08 0.00 0.00 29.16 30.40 2kpw h TRP 94 CO 0.89 1.14 -0.68 0.41 0.09 0.00 0.00 178.44 180.29 2kpw n GLY 95 N 0.28 -1.15 1.35 11.11 0.00 -1.23 -4.86 105.19 110.70 2kpw n GLY 95 Ca -0.04 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.08 0.00 -1.00 2.61 5.66 -1.24 -4.99 114.28 112.23 2kpw n THR 96 Ca -0.09 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2kpw n THR 96 Cb 0.58 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 2kpw n THR 96 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kpw n GLY 97 N -1.37 0.32 3.51 1.09 0.00 -1.22 -4.88 105.19 102.64 2kpw n GLY 97 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.56 1.75 -2.59 1.61 -0.58 -1.26 -4.09 120.64 113.92 2kpw n GLU 98 Ca -0.00 -2.47 -0.21 0.00 -0.42 0.00 0.00 57.16 54.06 2kpw n GLU 98 Cb 0.18 -3.60 0.00 0.00 -0.57 0.00 0.00 31.44 27.46 2kpw n GLU 98 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kpw n ASP 99 N 12.84 -5.99 -4.67 1.62 2.03 -1.26 -4.78 116.55 116.34 2kpw n ASP 99 Ca 0.46 -0.10 -0.44 0.00 0.52 0.00 0.00 54.79 55.23 2kpw n ASP 99 Cb 0.46 -4.94 -0.03 0.00 -0.72 0.00 0.00 41.12 35.88 2kpw n ASP 99 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2kpw n VAL 100 N -4.16 0.71 -4.25 5.18 3.14 -1.26 -4.37 118.33 113.32 2kpw n VAL 100 Ca -0.21 -0.13 -0.33 0.00 -2.96 0.00 0.00 64.34 60.71 2kpw n VAL 100 Cb 0.67 -2.20 -0.16 0.00 -1.06 0.00 0.00 33.84 31.09 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 4.32 3.04 -0.32 1.45 2.20 -0.23 -3.00 119.74 127.20 2kpw s LYS 101 Ca 0.90 -0.81 -0.23 0.00 -0.36 0.00 0.00 55.97 55.46 2kpw s LYS 101 Cb -0.51 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 2kpw s LYS 101 CO 0.45 -0.15 0.79 0.08 -0.36 0.00 0.00 175.35 176.15 2kpw s VAL 102 N 1.17 4.78 -0.31 4.02 1.01 0.18 0.26 120.40 131.51 2kpw s VAL 102 Ca 0.02 1.11 -0.09 0.00 0.00 0.00 0.00 61.98 63.02 2kpw s VAL 102 Cb -0.14 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 2kpw s VAL 102 CO -0.09 -0.29 0.14 -0.63 0.00 0.00 0.00 175.10 174.23 2kpw s ILE 103 N 2.99 4.45 -0.56 2.22 -1.09 -1.04 -1.22 121.20 126.95 2kpw s ILE 103 Ca 0.32 -0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 58.02 2kpw s ILE 103 Cb -0.14 -3.29 0.08 0.00 -1.58 0.00 0.00 42.46 37.53 2kpw s ILE 103 CO 0.14 0.04 0.70 -0.76 -1.23 0.00 0.00 174.94 173.83 2kpw s LEU 104 N 1.58 5.05 0.18 2.97 1.43 -0.53 -1.15 118.68 128.21 2kpw s LEU 104 Ca 0.04 -1.10 0.08 0.00 -1.03 0.00 0.00 54.13 52.12 2kpw s LEU 104 Cb -0.17 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2kpw s LEU 104 CO 0.05 -1.04 -0.05 -0.54 0.23 0.00 0.00 176.35 175.00 2kpw s LYS 105 N 2.83 2.21 0.00 1.70 1.02 -1.02 -1.03 119.74 125.45 2kpw s LYS 105 Ca 0.15 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.92 2kpw s LYS 105 Cb -0.21 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 2kpw s LYS 105 CO 0.10 0.44 0.00 0.09 -0.92 0.00 0.00 175.35 175.05 2kpw n ASN 106 N -0.09 0.00 -0.05 2.83 5.03 0.69 -0.60 115.26 123.07 2kpw n ASN 106 Ca -0.10 -0.43 -0.08 0.00 0.87 0.00 0.00 54.58 54.84 2kpw n ASN 106 Cb 0.56 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.30 2kpw n ASN 106 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 2kpw h SER 107 N 0.00 -0.51 0.00 6.41 0.87 -1.87 -3.35 113.55 115.09 2kpw h SER 107 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2kpw h SER 107 Cb 0.00 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2kpw h SER 107 CO 0.00 -0.19 -0.37 1.56 -0.53 0.00 0.00 176.83 177.29 2kpw h GLN 108 N -0.14 0.00 0.00 2.24 4.20 -1.95 -3.48 115.11 115.97 2kpw h GLN 108 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2kpw h GLN 108 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2kpw h GLN 108 CO -0.33 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.24 2kpw n GLY 109 N 1.66 0.00 3.74 3.46 0.00 -1.26 -5.14 105.19 107.65 2kpw n GLY 109 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 3.62 -0.17 1.61 1.03 -1.26 -4.91 118.70 118.61 2kpw s GLU 110 Ca 0.00 -0.27 -0.08 0.00 0.03 0.00 0.00 54.97 54.65 2kpw s GLU 110 Cb 0.00 -3.14 -0.04 0.00 -0.80 0.00 0.00 34.13 30.14 2kpw s GLU 110 CO 0.00 0.54 0.11 -2.00 -1.33 0.00 0.00 175.26 172.58 2kpw s GLU 111 N -0.37 3.93 -0.11 -4.83 2.12 -1.26 -0.22 118.70 117.96 2kpw s GLU 111 Ca 0.10 -0.24 -0.06 0.00 0.36 0.00 0.00 54.97 55.13 2kpw s GLU 111 Cb -0.12 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 2kpw s GLU 111 CO 0.02 0.41 -0.12 0.28 -0.54 0.00 0.00 175.26 175.31 2kpw h VAL 112 N 4.55 0.00 -2.91 3.70 2.07 -1.45 -3.49 116.25 118.72 2kpw h VAL 112 Ca -0.43 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.31 2kpw h VAL 112 Cb 1.17 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2kpw h VAL 112 CO 0.70 0.00 0.34 0.00 0.02 0.00 0.00 177.57 178.63 2kpw s ALA 113 N -2.77 -0.90 0.05 1.67 0.00 -1.24 -5.06 121.76 113.51 2kpw s ALA 113 Ca -0.10 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2kpw s ALA 113 Cb 0.01 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2kpw s ALA 113 CO 0.15 -1.00 -0.06 1.14 0.00 0.00 0.00 175.76 175.99 2kpw s GLN 114 N -2.22 0.52 0.01 0.00 -2.07 -1.26 -1.46 119.66 113.18 2kpw s GLN 114 Ca 0.17 -0.87 -0.17 0.00 -1.82 0.00 0.00 55.36 52.67 2kpw s GLN 114 Cb -0.05 -0.09 0.03 0.00 -1.09 0.00 0.00 33.01 31.81 2kpw s GLN 114 CO 0.10 -0.01 0.36 0.50 -1.32 0.00 0.00 175.29 174.92 2kpw s ARG 115 N -2.22 0.79 0.22 9.60 6.06 -0.36 -4.99 118.95 128.05 2kpw s ARG 115 Ca -0.06 -0.26 -0.06 0.00 -2.50 0.00 0.00 55.73 52.85 2kpw s ARG 115 Cb -0.05 0.35 -0.02 0.00 0.06 0.00 0.00 34.95 35.28 2kpw s ARG 115 CO -0.02 -0.24 0.29 -1.54 -2.50 0.00 0.00 175.30 171.29 2kpw s SER 116 N -1.62 0.07 -0.22 -2.12 1.04 -1.26 0.47 113.70 110.06 2kpw s SER 116 Ca -0.10 -1.19 -0.29 0.00 0.48 0.00 0.00 55.95 54.85 2kpw s SER 116 Cb -0.03 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 2kpw s SER 116 CO 0.02 -0.98 1.72 0.42 0.98 0.00 0.00 173.24 175.40 2kpw s THR 117 N -4.07 3.55 0.14 2.02 -4.23 -1.16 -4.92 115.64 106.97 2kpw s THR 117 Ca 0.32 0.61 -0.31 0.00 -1.18 0.00 0.00 61.69 61.13 2kpw s THR 117 Cb 0.03 -3.59 -0.08 0.00 1.34 0.00 0.00 72.50 70.21 2kpw s THR 117 CO 0.11 -0.27 1.29 0.54 -0.54 0.00 0.00 174.62 175.75 2kpw s VAL 118 N 5.70 3.46 -1.08 2.29 0.11 -1.26 -4.62 120.40 125.01 2kpw s VAL 118 Ca 0.76 1.12 -0.16 0.00 -2.93 0.00 0.00 61.98 60.78 2kpw s VAL 118 Cb -0.26 -3.72 0.15 0.00 -1.53 0.00 0.00 36.38 31.02 2kpw s VAL 118 CO 0.31 0.13 1.28 -0.36 -3.33 0.00 0.00 175.10 173.14 2kpw s PHE 119 N 0.59 3.33 -0.31 1.54 0.08 -1.26 -4.77 117.98 117.19 2kpw s PHE 119 Ca 0.59 -1.80 0.20 0.00 0.12 0.00 0.00 56.93 56.05 2kpw s PHE 119 Cb -0.35 -4.29 0.19 0.00 -0.57 0.00 0.00 43.02 38.00 2kpw s PHE 119 CO 0.34 -1.43 1.44 1.57 -0.10 0.00 0.00 175.22 177.04 2kpw h LYS 120 N 7.93 0.00 -4.38 0.44 2.10 -2.03 -3.49 116.57 117.14 2kpw h LYS 120 Ca 0.24 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.90 2kpw h LYS 120 Cb 0.94 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.19 2kpw h LYS 120 CO 1.17 0.16 -1.04 2.41 -2.00 0.00 0.00 179.45 180.15 2kpw n THR 121 N -3.07 -9.72 -0.35 0.07 -1.04 -1.26 -5.36 114.28 93.55 2kpw n THR 121 Ca 0.02 1.83 0.00 0.00 -2.04 0.00 0.00 64.05 63.86 2kpw n THR 121 Cb 0.61 -5.68 0.00 0.00 -1.82 0.00 0.00 70.33 63.44 2kpw n THR 121 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78