#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkj s ILE 2 N 0.00 4.92 0.26 2.02 1.01 -1.26 -1.29 121.20 126.86 1pkj s ILE 2 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 60.65 61.90 1pkj s ILE 2 Cb 0.00 -4.08 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 1pkj s ILE 2 CO 0.00 0.29 1.31 -0.76 0.00 0.00 0.00 174.94 175.78 1pkj s LEU 3 N 0.49 4.43 0.72 2.97 1.02 -0.07 -4.99 118.68 123.25 1pkj s LEU 3 Ca 0.39 2.54 0.00 0.00 0.02 0.00 0.00 54.13 57.08 1pkj s LEU 3 Cb -0.19 -3.63 0.13 0.00 0.02 0.00 0.00 46.19 42.53 1pkj s LEU 3 CO 0.21 -0.52 0.99 -0.94 0.02 0.00 0.00 176.35 176.10 1pkj s SER 4 N -0.06 4.34 0.26 2.29 1.04 -1.26 -4.44 113.70 115.86 1pkj s SER 4 Ca 0.53 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 1pkj s SER 4 Cb -0.38 0.12 0.49 0.00 0.10 0.00 0.00 66.02 66.35 1pkj s SER 4 CO 0.45 -1.87 1.78 -2.24 0.98 0.00 0.00 173.24 172.33 1pkj h ASP 5 N -0.50 0.60 -0.88 7.02 3.04 -1.06 -0.83 116.42 123.80 1pkj h ASP 5 Ca -0.35 0.08 0.01 0.00 -3.24 0.00 0.00 57.03 53.53 1pkj h ASP 5 Cb 1.27 -0.03 -0.04 0.00 -1.04 0.00 0.00 39.33 39.48 1pkj h ASP 5 CO 0.39 0.29 0.59 0.11 -2.04 0.00 0.00 179.24 178.57 1pkj h LYS 6 N 0.69 1.17 -0.23 4.15 1.57 -1.90 -1.49 116.57 120.53 1pkj h LYS 6 Ca 0.44 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.96 1pkj h LYS 6 Cb 0.56 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1pkj h LYS 6 CO -0.32 0.77 -0.64 -0.44 -0.57 0.00 0.00 179.45 178.25 1pkj h ASP 7 N 1.20 0.93 0.12 0.86 3.32 -1.63 -2.24 116.42 118.98 1pkj h ASP 7 Ca 0.32 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1pkj h ASP 7 Cb -0.14 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.14 1pkj h ASP 7 CO -0.07 1.33 -0.06 0.40 -1.72 0.00 0.00 179.24 179.13 1pkj h ILE 8 N 0.60 0.90 -0.74 0.35 2.04 -0.95 0.35 117.51 120.06 1pkj h ILE 8 Ca -0.01 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.90 1pkj h ILE 8 Cb 1.25 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.18 1pkj h ILE 8 CO 0.13 0.01 0.40 0.40 0.00 0.00 0.00 178.15 179.09 1pkj h ILE 9 N -0.17 0.89 -0.11 -0.67 2.04 -1.30 -0.80 117.51 117.40 1pkj h ILE 9 Ca -0.02 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1pkj h ILE 9 Cb 0.14 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1pkj h ILE 9 CO 0.03 0.12 0.04 0.44 0.00 0.00 0.00 178.15 178.78 1pkj h ASP 10 N 0.68 0.16 -0.43 1.72 3.32 -0.94 -1.80 116.42 119.13 1pkj h ASP 10 Ca 0.36 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1pkj h ASP 10 Cb 0.33 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1pkj h ASP 10 CO -0.24 0.30 0.18 1.88 -1.72 0.00 0.00 179.24 179.64 1pkj h TYR 11 N 0.00 0.70 -0.21 4.55 -1.99 -0.43 -1.59 116.97 118.01 1pkj h TYR 11 Ca 0.04 -0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.57 1pkj h TYR 11 Cb 0.20 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.72 1pkj h TYR 11 CO -0.01 0.56 -0.49 0.28 -0.00 0.00 0.00 178.16 178.49 1pkj h VAL 12 N 0.69 1.31 -0.57 -2.88 2.07 -1.12 0.24 116.25 115.99 1pkj h VAL 12 Ca 0.17 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1pkj h VAL 12 Cb 0.16 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1pkj h VAL 12 CO -0.01 0.54 0.36 0.74 0.02 0.00 0.00 177.57 179.21 1pkj h THR 13 N 0.41 1.09 -0.06 2.57 2.02 -0.92 -1.90 112.91 116.12 1pkj h THR 13 Ca -0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1pkj h THR 13 Cb 1.11 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1pkj h THR 13 CO 0.11 0.13 0.00 -1.54 0.37 0.00 0.00 175.52 174.59 1pkj n SER 14 N -4.74 1.14 -1.12 4.18 3.41 -0.63 -4.92 113.62 110.94 1pkj n SER 14 Ca 0.04 -1.48 -0.12 0.00 -0.26 0.00 0.00 58.87 57.06 1pkj n SER 14 Cb 0.06 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1pkj n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pkj n LYS 15 N -0.08 -0.88 -0.01 4.33 5.02 -0.71 -4.89 118.16 120.94 1pkj n LYS 15 Ca 0.18 0.76 -0.16 0.00 -2.02 0.00 0.00 58.31 57.07 1pkj n LYS 15 Cb 0.27 -4.83 -0.05 0.00 -0.02 0.00 0.00 35.03 30.40 1pkj n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkj h ARG 16 N 0.00 0.74 -5.11 1.97 3.08 -0.81 -3.41 114.38 110.84 1pkj h ARG 16 Ca -0.26 -0.60 -0.67 0.00 0.07 0.00 0.00 59.98 58.52 1pkj h ARG 16 Cb 0.98 0.12 -0.33 0.00 0.08 0.00 0.00 29.97 30.82 1pkj h ARG 16 CO 0.34 1.21 -0.83 0.42 -1.07 0.00 0.00 179.97 180.04 1pkj s ILE 17 N -3.74 2.40 -0.07 2.04 1.01 -0.79 -3.57 121.20 118.47 1pkj s ILE 17 Ca -0.09 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 1pkj s ILE 17 Cb 0.09 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 1pkj s ILE 17 CO 0.89 0.52 0.38 -0.63 0.00 0.00 0.00 174.94 176.10 1pkj s ILE 18 N 1.10 5.16 -0.23 2.92 -1.09 -0.39 -4.05 121.20 124.62 1pkj s ILE 18 Ca 0.00 0.75 -0.03 0.00 -2.23 0.00 0.00 60.65 59.14 1pkj s ILE 18 Cb -0.14 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.15 1pkj s ILE 18 CO -0.06 0.48 0.23 -0.63 -1.23 0.00 0.00 174.94 173.73 1pkj s ILE 19 N -0.33 -0.32 -0.13 2.92 1.01 -1.25 -1.95 121.20 121.15 1pkj s ILE 19 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 1pkj s ILE 19 Cb -0.15 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.57 1pkj s ILE 19 CO 0.10 -0.31 -0.10 -0.54 0.00 0.00 0.00 174.94 174.08 1pkj s LYS 20 N 2.31 1.82 0.67 2.79 1.02 0.20 -3.18 119.74 125.37 1pkj s LYS 20 Ca 0.08 -0.37 -0.10 0.00 0.02 0.00 0.00 55.97 55.60 1pkj s LYS 20 Cb -0.15 -1.78 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1pkj s LYS 20 CO -0.19 -0.25 1.04 -1.25 -0.92 0.00 0.00 175.35 173.78 1pkj s PRO 21 N 1.62 2.96 -0.05 -1.68 0.04 -1.26 0.11 135.00 136.74 1pkj s PRO 21 Ca 0.05 0.39 0.05 0.00 0.04 0.00 0.00 61.00 61.53 1pkj s PRO 21 Cb -0.13 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 1pkj s PRO 21 CO -0.09 -0.90 -0.21 0.12 0.04 0.00 0.00 177.00 175.96 1pkj s PHE 22 N -3.25 2.06 -0.16 0.56 5.36 -1.19 -4.80 117.98 116.55 1pkj s PHE 22 Ca 0.57 -0.60 -0.01 0.00 -0.96 0.00 0.00 56.93 55.93 1pkj s PHE 22 Cb -0.11 -1.36 0.05 0.00 -0.34 0.00 0.00 43.02 41.25 1pkj s PHE 22 CO 0.50 -0.19 -0.01 1.21 -1.46 0.00 0.00 175.22 175.28 1pkj s ASN 23 N -0.08 2.70 0.60 6.13 3.84 -1.26 -5.01 114.94 121.87 1pkj s ASN 23 Ca -0.03 -0.65 0.31 0.00 0.21 0.00 0.00 52.86 52.69 1pkj s ASN 23 Cb -0.12 -0.72 1.77 0.00 -0.55 0.00 0.00 41.25 41.63 1pkj s ASN 23 CO 0.03 -0.24 2.14 0.07 -2.79 0.00 0.00 177.10 176.31 1pkj h LYS 24 N 8.20 0.00 0.00 0.43 2.10 -1.99 0.87 116.57 126.17 1pkj h LYS 24 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1pkj h LYS 24 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1pkj h LYS 24 CO 0.35 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.55 1pkj n ASP 25 N -3.66 0.49 -0.14 7.07 8.00 -1.26 -1.96 116.55 125.08 1pkj n ASP 25 Ca 0.00 0.63 0.13 0.00 0.71 0.00 0.00 54.79 56.26 1pkj n ASP 25 Cb 0.26 -0.73 0.36 0.00 -0.02 0.00 0.00 41.12 40.99 1pkj n ASP 25 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1pkj n PHE 26 N -2.05 0.00 -2.40 1.24 3.72 0.30 -4.85 117.46 113.42 1pkj n PHE 26 Ca 0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 1pkj n PHE 26 Cb 0.19 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.53 1pkj n PHE 26 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1pkj s VAL 27 N -2.68 4.22 0.29 -4.37 1.01 -0.83 -1.41 120.40 116.64 1pkj s VAL 27 Ca 0.20 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.69 1pkj s VAL 27 Cb 0.19 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1pkj s VAL 27 CO 0.58 -0.19 0.39 0.61 0.00 0.00 0.00 175.10 176.49 1pkj n GLY 28 N 3.77 1.99 0.32 4.51 0.00 0.41 -5.00 105.19 111.19 1pkj n GLY 28 Ca 0.14 -2.18 0.10 0.00 0.00 0.00 0.00 46.02 44.09 1pkj n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pkj h PRO 29 N 0.00 0.54 -0.25 1.61 0.11 -1.97 -3.31 132.00 128.73 1pkj h PRO 29 Ca -0.14 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.71 1pkj h PRO 29 Cb 0.62 -0.12 -0.24 0.00 0.11 0.00 0.00 31.00 31.37 1pkj h PRO 29 CO 0.20 0.36 -0.62 0.00 -0.21 0.00 0.00 178.00 177.72 1pkj s SER 31 N -2.03 -0.11 -0.07 0.00 1.04 -1.25 -4.60 113.70 106.68 1pkj s SER 31 Ca 0.19 -0.52 -0.00 0.00 0.48 0.00 0.00 55.95 56.09 1pkj s SER 31 Cb 0.41 0.51 0.03 0.00 0.10 0.00 0.00 66.02 67.06 1pkj s SER 31 CO -0.07 -0.96 -0.03 -0.47 0.98 0.00 0.00 173.24 172.68 1pkj s TYR 32 N -2.89 0.88 0.08 5.02 6.14 -0.26 -0.44 117.35 125.86 1pkj s TYR 32 Ca 0.15 -0.31 -0.31 0.00 0.64 0.00 0.00 57.07 57.25 1pkj s TYR 32 Cb -0.02 -0.87 -0.06 0.00 0.42 0.00 0.00 41.96 41.44 1pkj s TYR 32 CO 0.04 -0.33 1.23 -0.51 0.64 0.00 0.00 175.55 176.61 1pkj s ASP 33 N 1.63 7.04 0.31 4.32 1.11 -0.50 -0.01 116.67 130.57 1pkj s ASP 33 Ca 0.01 2.07 0.09 0.00 0.18 0.00 0.00 52.55 54.89 1pkj s ASP 33 Cb -0.13 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.24 1pkj s ASP 33 CO -0.04 -0.49 0.10 0.68 1.18 0.00 0.00 175.17 176.60 1pkj s VAL 34 N 1.01 3.28 0.26 -1.27 -7.23 -0.57 -4.89 120.40 110.99 1pkj s VAL 34 Ca 0.59 -1.73 0.11 0.00 -1.81 0.00 0.00 61.98 59.14 1pkj s VAL 34 Cb -0.31 -2.98 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 1pkj s VAL 34 CO 0.30 -0.26 -0.15 0.42 -0.31 0.00 0.00 175.10 175.10 1pkj s THR 35 N -2.37 2.75 -0.06 5.32 -4.23 -1.26 -1.55 115.64 114.24 1pkj s THR 35 Ca 0.35 -2.18 -0.28 0.00 -1.18 0.00 0.00 61.69 58.41 1pkj s THR 35 Cb -0.04 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 1pkj s THR 35 CO 0.22 -0.33 0.89 -0.22 -0.54 0.00 0.00 174.62 174.64 1pkj s LEU 36 N -3.38 4.30 0.80 4.79 2.96 -0.28 -0.86 118.68 127.01 1pkj s LEU 36 Ca 0.29 1.44 -0.12 0.00 -0.22 0.00 0.00 54.13 55.52 1pkj s LEU 36 Cb -0.06 -3.39 0.07 0.00 0.50 0.00 0.00 46.19 43.31 1pkj s LEU 36 CO 0.15 -0.28 1.11 -0.83 -1.32 0.00 0.00 176.35 175.19 1pkj s GLY 37 N 0.99 1.61 0.00 7.98 0.00 0.24 -0.52 107.32 117.63 1pkj s GLY 37 Ca 0.46 -0.33 0.23 0.00 0.00 0.00 0.00 44.72 45.07 1pkj s GLY 37 CO 0.21 0.11 1.57 2.09 0.00 0.00 0.00 173.10 177.08 1pkj n ASP 38 N -3.38 1.82 -4.56 1.64 5.68 -1.26 -4.72 116.55 111.77 1pkj n ASP 38 Ca 0.07 -1.69 -0.34 0.00 -0.50 0.00 0.00 54.79 52.33 1pkj n ASP 38 Cb 0.57 -0.09 -0.11 0.00 -1.14 0.00 0.00 41.12 40.35 1pkj n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1pkj s GLU 39 N -1.83 3.41 0.16 0.11 2.02 -1.26 -1.51 118.70 119.80 1pkj s GLU 39 Ca 0.34 -0.49 0.05 0.00 0.02 0.00 0.00 54.97 54.89 1pkj s GLU 39 Cb 0.19 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 1pkj s GLU 39 CO 0.29 0.40 -0.10 -0.06 0.02 0.00 0.00 175.26 175.81 1pkj s PHE 40 N -0.07 1.33 -0.06 1.61 0.40 0.15 -4.00 117.98 117.33 1pkj s PHE 40 Ca 0.02 -0.75 0.02 0.00 -0.60 0.00 0.00 56.93 55.63 1pkj s PHE 40 Cb -0.13 -0.67 0.01 0.00 0.51 0.00 0.00 43.02 42.74 1pkj s PHE 40 CO 0.02 0.11 -0.12 0.42 0.70 0.00 0.00 175.22 176.35 1pkj s ILE 41 N -3.29 1.11 -0.19 0.64 1.01 0.53 -0.53 121.20 120.48 1pkj s ILE 41 Ca 0.18 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1pkj s ILE 41 Cb 0.02 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.51 1pkj s ILE 41 CO 0.02 0.35 -0.16 -0.63 0.00 0.00 0.00 174.94 174.51 1pkj s ILE 42 N 0.61 1.93 0.41 2.92 -1.09 -0.53 -1.36 121.20 124.09 1pkj s ILE 42 Ca -0.13 -1.01 -0.25 0.00 -2.23 0.00 0.00 60.65 57.03 1pkj s ILE 42 Cb -0.15 -1.84 -0.08 0.00 -1.58 0.00 0.00 42.46 38.81 1pkj s ILE 42 CO 0.03 0.37 1.16 -0.31 -1.23 0.00 0.00 174.94 174.97 1pkj s TYR 43 N 1.31 3.05 -0.15 3.97 2.02 -1.26 -0.35 117.35 125.93 1pkj s TYR 43 Ca 0.02 1.56 0.16 0.00 -0.37 0.00 0.00 57.07 58.44 1pkj s TYR 43 Cb -0.15 -3.38 0.43 0.00 -0.40 0.00 0.00 41.96 38.47 1pkj s TYR 43 CO -0.11 -1.30 1.19 -0.40 -1.57 0.00 0.00 175.55 173.37 1pkj n ASP 44 N -0.01 1.77 -4.89 2.29 5.75 -0.91 -4.88 116.55 115.67 1pkj n ASP 44 Ca 0.05 -3.16 -0.21 0.00 -0.01 0.00 0.00 54.79 51.46 1pkj n ASP 44 Cb 0.47 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 1pkj n ASP 44 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1pkj s ASP 45 N -2.90 5.58 0.09 -1.12 1.01 -1.26 -4.98 116.67 113.08 1pkj s ASP 45 Ca 0.37 -0.34 -0.17 0.00 0.71 0.00 0.00 52.55 53.13 1pkj s ASP 45 Cb 0.38 -1.17 -0.08 0.00 1.01 0.00 0.00 42.92 43.05 1pkj s ASP 45 CO -0.09 -0.30 1.46 -0.08 0.21 0.00 0.00 175.17 176.36 1pkj h GLU 46 N 1.19 0.57 -4.36 8.23 4.81 -1.98 -3.46 114.58 119.57 1pkj h GLU 46 Ca -0.46 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 58.37 1pkj h GLU 46 Cb 1.25 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.46 1pkj h GLU 46 CO 0.57 0.81 -0.67 0.14 -0.73 0.00 0.00 179.01 179.13 1pkj s VAL 47 N -4.62 0.22 -0.40 0.32 -7.23 -1.26 -5.13 120.40 102.30 1pkj s VAL 47 Ca -0.13 -1.87 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 1pkj s VAL 47 Cb 0.08 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.27 1pkj s VAL 47 CO 0.79 -0.76 0.52 -0.31 -0.31 0.00 0.00 175.10 175.03 1pkj s TYR 48 N -3.94 3.14 -0.31 2.82 4.12 -1.26 -5.01 117.35 116.91 1pkj s TYR 48 Ca 0.15 -0.10 0.03 0.00 0.02 0.00 0.00 57.07 57.16 1pkj s TYR 48 Cb 0.08 -3.03 0.09 0.00 -1.52 0.00 0.00 41.96 37.57 1pkj s TYR 48 CO -0.04 -0.69 0.03 0.34 0.02 0.00 0.00 175.55 175.20 1pkj s ASP 49 N 1.85 4.51 0.00 2.29 -1.08 -1.26 -4.98 116.67 118.00 1pkj s ASP 49 Ca 0.17 -1.88 0.05 0.00 -0.52 0.00 0.00 52.55 50.38 1pkj s ASP 49 Cb -0.16 -1.45 0.26 0.00 -1.46 0.00 0.00 42.92 40.11 1pkj s ASP 49 CO 0.15 -0.35 1.08 0.18 0.52 0.00 0.00 175.17 176.75 1pkj n LEU 50 N 4.42 0.00 -0.19 -1.34 4.77 -1.26 -1.23 117.00 122.17 1pkj n LEU 50 Ca -0.01 0.37 0.14 0.00 -0.03 0.00 0.00 56.01 56.49 1pkj n LEU 50 Cb 0.42 -0.37 0.65 0.00 -2.33 0.00 0.00 43.42 41.79 1pkj n LEU 50 CO 0.20 -0.30 0.91 -1.54 -1.33 0.00 0.00 177.39 175.32 1pkj n SER 51 N -1.37 0.65 -4.36 -1.43 3.41 -1.26 -4.86 113.62 104.40 1pkj n SER 51 Ca 0.02 -0.90 -0.19 0.00 -0.26 0.00 0.00 58.87 57.54 1pkj n SER 51 Cb 0.05 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 1pkj n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1pkj s LYS 52 N -2.27 1.37 0.01 4.33 1.02 -0.36 -5.11 119.74 118.73 1pkj s LYS 52 Ca 0.35 -1.65 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 1pkj s LYS 52 Cb 0.21 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.48 1pkj s LYS 52 CO 0.42 0.08 1.16 -2.00 -0.92 0.00 0.00 175.35 174.09 1pkj s GLU 53 N -3.72 4.42 0.12 1.68 2.12 -1.26 -4.88 118.70 117.18 1pkj s GLU 53 Ca 0.25 1.68 -0.25 0.00 0.36 0.00 0.00 54.97 57.00 1pkj s GLU 53 Cb 0.02 -3.44 -0.07 0.00 0.26 0.00 0.00 34.13 30.90 1pkj s GLU 53 CO 0.08 -0.29 0.78 -0.51 -0.54 0.00 0.00 175.26 174.78 1pkj s LEU 54 N 1.47 4.54 0.03 2.70 1.43 -1.26 -5.06 118.68 122.53 1pkj s LEU 54 Ca 0.57 1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 55.09 1pkj s LEU 54 Cb -0.26 -3.29 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 1pkj s LEU 54 CO 0.26 0.13 0.47 0.20 0.23 0.00 0.00 176.35 177.64 1pkj s ASN 55 N -0.71 6.90 0.26 2.29 0.02 -1.26 -5.07 114.94 117.37 1pkj s ASN 55 Ca 0.37 1.07 -0.14 0.00 -1.02 0.00 0.00 52.86 53.14 1pkj s ASN 55 Cb -0.22 -2.29 0.00 0.00 0.02 0.00 0.00 41.25 38.76 1pkj s ASN 55 CO 0.25 0.30 0.53 -0.72 0.02 0.00 0.00 177.10 177.49 1pkj s TYR 56 N -1.10 0.28 -0.07 2.20 -0.85 -1.26 -2.13 117.35 114.42 1pkj s TYR 56 Ca 0.26 -0.67 0.05 0.00 -0.52 0.00 0.00 57.07 56.19 1pkj s TYR 56 Cb -0.18 0.30 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 1pkj s TYR 56 CO 0.16 -1.07 -0.24 0.15 -1.52 0.00 0.00 175.55 173.03 1pkj s LYS 57 N -3.90 2.62 -0.25 -3.49 1.02 0.52 -4.88 119.74 111.39 1pkj s LYS 57 Ca 0.20 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 55.18 1pkj s LYS 57 Cb -0.02 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1pkj s LYS 57 CO 0.09 0.30 0.38 0.50 -0.92 0.00 0.00 175.35 175.70 1pkj s ARG 58 N 0.03 4.07 -0.07 1.68 3.52 -1.26 -1.45 118.95 125.48 1pkj s ARG 58 Ca -0.09 0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.63 1pkj s ARG 58 Cb -0.15 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.61 1pkj s ARG 58 CO 0.05 -0.18 -0.16 0.42 -0.81 0.00 0.00 175.30 174.62 1pkj s ILE 59 N 1.78 2.92 -0.10 4.11 -1.09 0.31 -4.99 121.20 124.13 1pkj s ILE 59 Ca 0.16 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1pkj s ILE 59 Cb -0.15 -2.15 0.02 0.00 -1.58 0.00 0.00 42.46 38.60 1pkj s ILE 59 CO 0.09 0.57 -0.12 -0.75 -1.23 0.00 0.00 174.94 173.50 1pkj s LYS 60 N -0.42 1.88 0.21 2.79 2.20 -1.26 0.31 119.74 125.44 1pkj s LYS 60 Ca 0.05 -0.43 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 1pkj s LYS 60 Cb -0.12 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.48 1pkj s LYS 60 CO 0.02 -0.12 0.27 0.96 -0.36 0.00 0.00 175.35 176.13 1pkj s ILE 61 N 1.17 5.00 -0.18 5.43 -4.36 -0.57 -5.03 121.20 122.66 1pkj s ILE 61 Ca -0.04 -1.01 -0.25 0.00 -0.26 0.00 0.00 60.65 59.09 1pkj s ILE 61 Cb -0.14 -3.65 -0.22 0.00 1.25 0.00 0.00 42.46 39.69 1pkj s ILE 61 CO -0.03 -0.24 0.47 0.50 0.24 0.00 0.00 174.94 175.88 1pkj h LYS 62 N 1.67 0.00 0.00 0.37 3.64 -1.96 -3.46 116.57 116.83 1pkj h LYS 62 Ca -0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1pkj h LYS 62 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1pkj h LYS 62 CO 0.63 1.00 -0.43 0.09 -2.27 0.00 0.00 179.45 178.48 1pkj n ASN 63 N -4.51 0.15 -4.08 4.20 4.13 -1.26 -4.90 115.26 108.98 1pkj n ASN 63 Ca -0.22 0.08 -0.10 0.00 1.68 0.00 0.00 54.58 56.01 1pkj n ASN 63 Cb 0.59 -0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.74 1pkj n ASN 63 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1pkj s SER 64 N -5.15 0.11 0.00 6.41 1.04 -1.26 0.10 113.70 114.96 1pkj s SER 64 Ca 0.00 -1.12 -0.01 0.00 0.48 0.00 0.00 55.95 55.30 1pkj s SER 64 Cb 0.00 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1pkj s SER 64 CO 0.00 -0.88 0.02 -0.51 0.98 0.00 0.00 173.24 172.85 1pkj s ILE 65 N -4.05 0.05 -0.28 -1.02 2.07 -0.51 -1.86 121.20 115.60 1pkj s ILE 65 Ca 0.26 -0.41 -0.08 0.00 -1.41 0.00 0.00 60.65 59.00 1pkj s ILE 65 Cb 0.05 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.45 1pkj s ILE 65 CO 0.06 -0.23 0.11 -0.22 -1.91 0.00 0.00 174.94 172.75 1pkj s LEU 66 N -0.68 3.77 -0.33 8.50 2.96 0.09 -0.78 118.68 132.22 1pkj s LEU 66 Ca -0.08 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 1pkj s LEU 66 Cb -0.05 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1pkj s LEU 66 CO -0.00 -0.11 0.20 -0.69 -1.32 0.00 0.00 176.35 174.42 1pkj s VAL 67 N 1.61 4.94 0.08 1.68 1.01 0.03 -1.43 120.40 128.32 1pkj s VAL 67 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1pkj s VAL 67 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1pkj s VAL 67 CO 0.05 0.02 0.17 0.00 0.00 0.00 0.00 175.10 175.34 1pkj s PRO 69 N -2.54 1.66 0.59 0.00 0.02 -1.26 -1.42 135.00 132.06 1pkj s PRO 69 Ca 0.33 1.67 -0.20 0.00 0.02 0.00 0.00 61.00 62.83 1pkj s PRO 69 Cb -0.12 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1pkj s PRO 69 CO 0.26 -2.18 1.29 -1.17 -0.33 0.00 0.00 177.00 174.87 1pkj s LEU 70 N -5.78 3.71 -1.46 -5.54 2.96 -1.26 -2.60 118.68 108.71 1pkj s LEU 70 Ca 0.71 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 57.22 1pkj s LEU 70 Cb -0.27 -4.48 0.00 0.00 0.50 0.00 0.00 46.19 41.94 1pkj s LEU 70 CO 0.51 -1.70 0.00 0.59 -1.32 0.00 0.00 176.35 174.43 1pkj n ASN 71 N -1.46 -4.85 0.05 3.68 3.02 -1.26 -4.84 115.26 109.59 1pkj n ASN 71 Ca 0.13 0.08 0.10 0.00 -0.03 0.00 0.00 54.58 54.86 1pkj n ASN 71 Cb 0.47 -3.93 0.41 0.00 -0.61 0.00 0.00 39.78 36.13 1pkj n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pkj n TYR 72 N -3.68 0.31 -3.04 3.10 9.36 -1.07 -4.92 117.16 117.22 1pkj n TYR 72 Ca -0.19 0.11 -0.01 0.00 3.32 0.00 0.00 57.90 61.14 1pkj n TYR 72 Cb 0.62 -0.68 0.00 0.00 -0.63 0.00 0.00 39.34 38.65 1pkj n TYR 72 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1pkj n ASN 73 N -1.77 -7.61 -4.63 2.98 5.03 -1.26 -4.95 115.26 103.04 1pkj n ASN 73 Ca 0.04 -0.11 -0.41 0.00 0.87 0.00 0.00 54.58 54.96 1pkj n ASN 73 Cb 0.23 -5.22 -0.05 0.00 -1.02 0.00 0.00 39.78 33.72 1pkj n ASN 73 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1pkj s LEU 74 N -4.05 4.08 0.47 3.41 1.43 -1.26 -5.02 118.68 117.74 1pkj s LEU 74 Ca 0.03 0.87 0.07 0.00 -1.03 0.00 0.00 54.13 54.07 1pkj s LEU 74 Cb -0.00 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 43.17 1pkj s LEU 74 CO 0.73 -0.48 0.43 0.42 0.23 0.00 0.00 176.35 177.69 1pkj s THR 75 N 2.75 2.32 0.16 5.49 -4.23 -1.26 -4.96 115.64 115.90 1pkj s THR 75 Ca 0.31 -1.34 -0.16 0.00 -1.18 0.00 0.00 61.69 59.32 1pkj s THR 75 Cb -0.15 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.07 1pkj s THR 75 CO 0.08 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 175.80 1pkj h GLU 76 N 0.85 0.16 -0.51 3.99 4.81 -2.00 -1.70 114.58 120.18 1pkj h GLU 76 Ca -0.39 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1pkj h GLU 76 Cb 1.28 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1pkj h GLU 76 CO 0.55 0.10 0.24 1.49 -0.73 0.00 0.00 179.01 180.67 1pkj h GLU 77 N 0.16 0.74 -0.47 1.92 4.22 -1.99 -2.11 114.58 117.05 1pkj h GLU 77 Ca 0.17 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1pkj h GLU 77 Cb 0.22 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1pkj h GLU 77 CO -0.25 0.63 0.30 -0.22 -2.18 0.00 0.00 179.01 177.28 1pkj h LYS 78 N 0.68 0.63 0.16 1.92 1.63 -1.87 0.11 116.57 119.83 1pkj h LYS 78 Ca 0.18 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1pkj h LYS 78 Cb 0.13 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1pkj h LYS 78 CO -0.02 0.44 -0.11 0.82 -3.45 0.00 0.00 179.45 177.13 1pkj h ILE 79 N 0.63 0.76 -0.71 2.00 2.04 -1.18 0.13 117.51 121.18 1pkj h ILE 79 Ca 0.17 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.04 1pkj h ILE 79 Cb -0.04 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1pkj h ILE 79 CO -0.03 0.00 0.47 0.78 0.00 0.00 0.00 178.15 179.36 1pkj h ASN 80 N -0.27 0.80 -0.10 1.72 2.35 -1.18 0.81 115.58 119.71 1pkj h ASN 80 Ca -0.01 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1pkj h ASN 80 Cb 0.24 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1pkj h ASN 80 CO -0.00 0.57 0.06 0.22 -1.65 0.00 0.00 177.43 176.63 1pkj h TYR 81 N 0.94 0.14 -0.58 1.19 5.03 -0.01 -1.84 116.97 121.84 1pkj h TYR 81 Ca 0.26 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.51 1pkj h TYR 81 Cb -0.08 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.13 1pkj h TYR 81 CO -0.00 0.16 0.14 0.74 -1.32 0.00 0.00 178.16 177.88 1pkj h PHE 82 N 0.08 0.98 -0.22 -3.82 0.04 -0.07 -1.34 116.94 112.59 1pkj h PHE 82 Ca 0.04 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1pkj h PHE 82 Cb 0.07 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 1pkj h PHE 82 CO -0.05 0.84 0.14 0.87 -0.60 0.00 0.00 178.31 179.52 1pkj h LYS 83 N 0.84 0.29 -0.05 1.51 1.57 -0.73 0.24 116.57 120.24 1pkj h LYS 83 Ca 0.18 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 1pkj h LYS 83 Cb 0.36 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1pkj h LYS 83 CO 0.00 0.20 -0.54 0.93 -0.57 0.00 0.00 179.45 179.48 1pkj h GLU 84 N 0.29 0.14 0.20 3.15 5.08 -1.27 0.21 114.58 122.38 1pkj h GLU 84 Ca 0.08 -0.08 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1pkj h GLU 84 Cb -0.02 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.27 1pkj h GLU 84 CO -0.02 0.64 -1.38 -0.22 -1.00 0.00 0.00 179.01 177.03 1pkj h LYS 85 N 0.11 0.50 -0.14 2.33 3.64 -1.04 -3.37 116.57 118.58 1pkj h LYS 85 Ca -0.00 -0.81 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 1pkj h LYS 85 Cb 0.98 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1pkj h LYS 85 CO 0.08 1.38 0.00 0.66 -2.27 0.00 0.00 179.45 179.30 1pkj n TYR 86 N -3.69 0.18 -2.78 1.91 4.01 0.06 -5.00 117.16 111.85 1pkj n TYR 86 Ca -0.14 -0.30 -0.19 0.00 -0.16 0.00 0.00 57.90 57.11 1pkj n TYR 86 Cb 1.07 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1pkj n TYR 86 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1pkj n ASN 87 N 0.27 -4.69 -4.82 7.72 4.13 0.74 -4.96 115.26 113.64 1pkj n ASN 87 Ca 0.06 -0.09 -0.35 0.00 1.68 0.00 0.00 54.58 55.88 1pkj n ASN 87 Cb 0.29 -3.90 -0.06 0.00 -1.54 0.00 0.00 39.78 34.58 1pkj n ASN 87 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1pkj s VAL 88 N -2.89 4.59 0.12 2.41 -7.23 -1.21 -4.79 120.40 111.40 1pkj s VAL 88 Ca 0.16 1.21 0.07 0.00 -1.81 0.00 0.00 61.98 61.62 1pkj s VAL 88 Cb -0.08 -3.81 -0.21 0.00 0.56 0.00 0.00 36.38 32.84 1pkj s VAL 88 CO 0.20 0.13 1.28 0.44 -0.31 0.00 0.00 175.10 176.85 1pkj h ASP 89 N 3.20 0.00 -4.33 4.85 3.32 -1.73 -3.42 116.42 118.30 1pkj h ASP 89 Ca -0.48 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.41 1pkj h ASP 89 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 1pkj h ASP 89 CO 0.65 1.00 -0.49 -0.47 -1.72 0.00 0.00 179.24 178.21 1pkj s TYR 90 N -2.71 -0.10 -0.12 4.55 5.04 -1.22 -5.04 117.35 117.75 1pkj s TYR 90 Ca 0.01 0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 1pkj s TYR 90 Cb 0.10 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.45 1pkj s TYR 90 CO 0.82 -0.19 -0.12 0.08 -1.34 0.00 0.00 175.55 174.80 1pkj s VAL 91 N -0.57 1.35 0.13 3.14 1.01 -1.26 -0.73 120.40 123.47 1pkj s VAL 91 Ca -0.07 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1pkj s VAL 91 Cb -0.04 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1pkj s VAL 91 CO 0.01 0.42 -0.13 0.54 0.00 0.00 0.00 175.10 175.94 1pkj s VAL 92 N 1.35 1.27 0.01 2.92 0.11 -0.51 -4.99 120.40 120.56 1pkj s VAL 92 Ca 0.00 -1.82 0.06 0.00 -2.93 0.00 0.00 61.98 57.30 1pkj s VAL 92 Cb -0.14 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 1pkj s VAL 92 CO -0.06 -0.52 -0.18 -1.83 -3.33 0.00 0.00 175.10 169.17 1pkj s GLU 93 N -2.99 1.36 1.60 1.54 -1.05 -1.26 -0.24 118.70 117.66 1pkj s GLU 93 Ca 0.11 -0.75 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1pkj s GLU 93 Cb -0.03 -1.37 0.00 0.00 -0.44 0.00 0.00 34.13 32.29 1pkj s GLU 93 CO 0.02 0.36 0.00 0.41 0.95 0.00 0.00 175.26 177.01 1pkj n GLY 94 N 2.30 -0.26 3.80 -3.83 0.00 -0.51 -4.85 105.19 101.83 1pkj n GLY 94 Ca -0.16 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 1pkj n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pkj s GLY 95 N 0.00 2.73 -0.07 -0.02 0.00 -1.26 -4.66 107.32 104.04 1pkj s GLY 95 Ca 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 44.72 45.00 1pkj s GLY 95 CO 0.00 0.74 0.17 0.54 0.00 0.00 0.00 173.10 174.55 1pkj s VAL 96 N -1.50 -0.02 -0.08 1.40 0.11 -1.04 -4.83 120.40 114.44 1pkj s VAL 96 Ca 0.45 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 59.42 1pkj s VAL 96 Cb -0.18 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 1pkj s VAL 96 CO 0.23 0.03 0.38 -0.76 -3.33 0.00 0.00 175.10 171.64 1pkj s LEU 97 N 0.56 4.36 0.00 2.54 1.43 -0.47 -1.32 118.68 125.78 1pkj s LEU 97 Ca -0.04 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1pkj s LEU 97 Cb -0.05 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1pkj s LEU 97 CO -0.03 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1pkj n GLY 98 N 2.62 4.89 3.42 -3.19 0.00 -0.07 -0.35 105.19 112.52 1pkj n GLY 98 Ca -0.12 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 1pkj n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pkj s THR 99 N -0.96 0.02 0.57 2.61 -1.32 -1.26 -0.96 115.64 114.34 1pkj s THR 99 Ca 0.00 -0.17 -0.14 0.00 -1.21 0.00 0.00 61.69 60.17 1pkj s THR 99 Cb 0.00 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 1pkj s THR 99 CO 0.00 -0.10 1.01 0.42 -2.21 0.00 0.00 174.62 173.75 1pkj s THR 100 N -1.65 4.49 0.13 5.08 -4.23 -0.76 0.81 115.64 119.51 1pkj s THR 100 Ca -0.10 1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 61.41 1pkj s THR 100 Cb -0.01 -3.72 -0.19 0.00 1.34 0.00 0.00 72.50 69.92 1pkj s THR 100 CO 0.05 -0.85 1.29 0.78 -0.54 0.00 0.00 174.62 175.35 1pkj h ASN 101 N 0.30 0.44 -2.90 3.99 -0.26 -1.28 -3.42 115.58 112.45 1pkj h ASN 101 Ca -0.46 -0.38 -0.53 0.00 -0.56 0.00 0.00 56.30 54.38 1pkj h ASN 101 Cb 1.19 -0.14 0.03 0.00 -1.06 0.00 0.00 38.32 38.34 1pkj h ASN 101 CO 0.61 1.19 0.81 -1.61 -1.06 0.00 0.00 177.43 177.37 1pkj s GLU 102 N -3.14 4.27 -0.17 0.81 8.01 -1.26 -4.54 118.70 122.69 1pkj s GLU 102 Ca -0.05 2.17 -0.08 0.00 0.01 0.00 0.00 54.97 57.03 1pkj s GLU 102 Cb 0.09 -3.30 -0.04 0.00 -4.31 0.00 0.00 34.13 26.57 1pkj s GLU 102 CO 0.86 -0.53 0.11 -0.47 0.01 0.00 0.00 175.26 175.24 1pkj s TYR 103 N 1.43 3.41 0.21 1.61 6.14 0.30 -4.11 117.35 126.35 1pkj s TYR 103 Ca 0.67 0.32 0.08 0.00 0.64 0.00 0.00 57.07 58.78 1pkj s TYR 103 Cb -0.39 -2.06 -0.05 0.00 0.42 0.00 0.00 41.96 39.89 1pkj s TYR 103 CO 0.30 0.40 -0.16 0.96 0.64 0.00 0.00 175.55 177.69 1pkj s ILE 104 N -0.10 1.85 -0.04 3.14 -4.36 -0.09 -0.63 121.20 120.97 1pkj s ILE 104 Ca 0.09 -2.20 -0.01 0.00 -0.26 0.00 0.00 60.65 58.27 1pkj s ILE 104 Cb -0.12 -2.05 0.03 0.00 1.25 0.00 0.00 42.46 41.57 1pkj s ILE 104 CO 0.00 -0.53 0.03 -1.61 0.24 0.00 0.00 174.94 173.07 1pkj s GLU 105 N -3.52 0.15 -0.11 0.37 2.02 -0.82 -0.79 118.70 116.01 1pkj s GLU 105 Ca 0.23 0.24 -0.03 0.00 0.02 0.00 0.00 54.97 55.42 1pkj s GLU 105 Cb -0.02 -0.57 -0.03 0.00 0.10 0.00 0.00 34.13 33.60 1pkj s GLU 105 CO 0.08 -0.27 0.00 -0.51 0.02 0.00 0.00 175.26 174.59 1pkj s LEU 106 N 1.77 3.56 1.07 1.80 1.43 -0.01 -1.26 118.68 127.05 1pkj s LEU 106 Ca 0.00 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 1pkj s LEU 106 Cb -0.12 -1.83 0.23 0.00 0.03 0.00 0.00 46.19 44.49 1pkj s LEU 106 CO -0.03 0.32 1.15 -2.16 0.23 0.00 0.00 176.35 175.86 1pkj s PRO 107 N -0.52 -0.20 0.00 1.29 0.04 -1.23 -1.36 135.00 133.02 1pkj s PRO 107 Ca 0.09 0.03 0.27 0.00 0.04 0.00 0.00 61.00 61.43 1pkj s PRO 107 Cb -0.12 -1.71 1.57 0.00 0.04 0.00 0.00 34.50 34.29 1pkj s PRO 107 CO 0.02 -3.05 1.95 0.27 0.04 0.00 0.00 177.00 176.24 1pkj n ASN 108 N -4.31 0.00 -0.18 6.66 0.23 -1.26 -2.35 115.26 114.05 1pkj n ASN 108 Ca 0.11 -0.74 0.05 0.00 -0.53 0.00 0.00 54.58 53.47 1pkj n ASN 108 Cb 0.59 -0.04 0.09 0.00 -2.08 0.00 0.00 39.78 38.34 1pkj n ASN 108 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1pkj n ASP 109 N -1.04 2.41 -3.88 0.53 5.75 -1.26 -0.42 116.55 118.63 1pkj n ASP 109 Ca 0.19 -2.50 -0.17 0.00 -0.01 0.00 0.00 54.79 52.30 1pkj n ASP 109 Cb 0.11 -0.24 -0.16 0.00 -1.03 0.00 0.00 41.12 39.81 1pkj n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1pkj s ILE 110 N -1.87 0.34 0.04 2.12 -1.09 -1.18 -1.45 121.20 118.10 1pkj s ILE 110 Ca 0.18 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.62 1pkj s ILE 110 Cb 0.15 -0.37 -0.03 0.00 -1.58 0.00 0.00 42.46 40.63 1pkj s ILE 110 CO 0.04 0.16 -0.19 -0.55 -1.23 0.00 0.00 174.94 173.16 1pkj s SER 111 N 0.66 3.69 0.11 3.58 0.15 0.18 -3.77 113.70 118.30 1pkj s SER 111 Ca -0.07 -0.44 0.08 0.00 0.70 0.00 0.00 55.95 56.22 1pkj s SER 111 Cb -0.11 -0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 1pkj s SER 111 CO -0.01 0.26 -0.21 0.00 1.20 0.00 0.00 173.24 174.48 1pkj s ALA 112 N -0.89 1.88 -0.08 5.45 0.00 -1.02 -0.03 121.76 127.07 1pkj s ALA 112 Ca 0.14 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1pkj s ALA 112 Cb -0.10 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1pkj s ALA 112 CO 0.04 0.36 -0.17 -1.14 0.00 0.00 0.00 175.76 174.85 1pkj s GLN 113 N -2.01 2.27 -0.09 0.00 0.74 0.17 0.15 119.66 120.88 1pkj s GLN 113 Ca 0.08 -0.62 -0.09 0.00 0.05 0.00 0.00 55.36 54.78 1pkj s GLN 113 Cb -0.10 -1.79 -0.04 0.00 1.10 0.00 0.00 33.01 32.18 1pkj s GLN 113 CO 0.05 0.11 0.21 -0.47 -0.55 0.00 0.00 175.29 174.63 1pkj s TYR 114 N 0.49 3.63 0.01 1.67 6.14 -0.24 -0.74 117.35 128.30 1pkj s TYR 114 Ca -0.16 0.64 0.00 0.00 0.64 0.00 0.00 57.07 58.19 1pkj s TYR 114 Cb -0.16 -2.03 -0.01 0.00 0.42 0.00 0.00 41.96 40.18 1pkj s TYR 114 CO 0.06 0.70 -0.02 1.14 0.64 0.00 0.00 175.55 178.07 1pkj s GLN 115 N -0.99 0.15 0.55 4.97 -2.07 -0.78 -4.31 119.66 117.18 1pkj s GLN 115 Ca 0.17 -0.21 -0.19 0.00 -1.82 0.00 0.00 55.36 53.31 1pkj s GLN 115 Cb -0.13 -0.03 -0.05 0.00 -1.09 0.00 0.00 33.01 31.70 1pkj s GLN 115 CO 0.06 0.00 1.14 0.20 -1.32 0.00 0.00 175.29 175.37 1pkj s GLY 116 N -0.45 2.63 0.45 2.60 0.00 -1.26 -1.32 107.32 109.97 1pkj s GLY 116 Ca -0.04 0.83 -0.24 0.00 0.00 0.00 0.00 44.72 45.27 1pkj s GLY 116 CO -0.00 1.20 1.10 -2.13 0.00 0.00 0.00 173.10 173.27 1pkj n ARG 117 N -1.39 1.49 -0.18 2.90 0.63 -0.15 -4.78 116.66 115.18 1pkj n ARG 117 Ca 0.12 0.54 -0.10 0.00 -0.92 0.00 0.00 57.85 57.48 1pkj n ARG 117 Cb 0.51 -2.19 0.01 0.00 0.45 0.00 0.00 32.46 31.24 1pkj n ARG 117 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1pkj h SER 118 N 1.58 0.97 -0.31 6.15 0.02 -1.93 -1.02 113.55 119.00 1pkj h SER 118 Ca -0.46 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.13 1pkj h SER 118 Cb 1.33 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1pkj h SER 118 CO 0.57 1.07 0.12 0.77 -1.14 0.00 0.00 176.83 178.23 1pkj h SER 119 N 0.84 0.48 0.42 3.07 4.64 -1.98 -1.20 113.55 119.83 1pkj h SER 119 Ca 0.14 -0.05 -0.26 0.00 -0.47 0.00 0.00 61.79 61.15 1pkj h SER 119 Cb 0.62 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1pkj h SER 119 CO 0.04 0.46 -1.12 -0.07 -0.87 0.00 0.00 176.83 175.28 1pkj h LEU 120 N 0.53 0.55 -1.58 5.97 3.38 -1.81 -3.17 115.31 119.18 1pkj h LEU 120 Ca 0.13 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1pkj h LEU 120 Cb 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1pkj h LEU 120 CO -0.01 1.34 0.12 1.23 0.09 0.00 0.00 178.44 181.22 1pkj h GLY 121 N 1.21 0.43 2.00 0.83 0.00 -0.63 -0.55 103.07 106.35 1pkj h GLY 121 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1pkj h GLY 121 CO 0.19 0.18 0.00 0.54 0.00 0.00 0.00 176.54 177.45 1pkj n ARG 122 N -4.43 0.18 -0.38 4.80 1.74 -0.50 -1.53 116.66 116.54 1pkj n ARG 122 Ca 0.01 0.43 0.09 0.00 -0.77 0.00 0.00 57.85 57.61 1pkj n ARG 122 Cb 0.12 -1.86 0.24 0.00 -1.02 0.00 0.00 32.46 29.94 1pkj n ARG 122 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1pkj n VAL 123 N -2.21 2.22 -2.37 1.55 0.24 -0.32 -4.97 118.33 112.47 1pkj n VAL 123 Ca 0.02 -1.96 -0.18 0.00 -2.04 0.00 0.00 64.34 60.17 1pkj n VAL 123 Cb 0.21 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.32 1pkj n VAL 123 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pkj n PHE 124 N -0.69 -0.90 -3.98 6.34 3.72 -0.58 -4.70 117.46 116.67 1pkj n PHE 124 Ca 0.21 0.02 -0.35 0.00 -0.05 0.00 0.00 57.45 57.27 1pkj n PHE 124 Cb 0.85 -3.60 -0.13 0.00 -0.94 0.00 0.00 39.48 35.66 1pkj n PHE 124 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1pkj s LEU 125 N -5.24 3.24 0.09 4.37 1.98 -0.56 -1.00 118.68 121.56 1pkj s LEU 125 Ca 0.01 -0.23 0.08 0.00 -2.89 0.00 0.00 54.13 51.10 1pkj s LEU 125 Cb -0.00 -1.83 -0.04 0.00 0.66 0.00 0.00 46.19 44.97 1pkj s LEU 125 CO 0.01 0.03 -0.18 0.42 -1.89 0.00 0.00 176.35 174.75 1pkj s THR 126 N 1.20 2.84 -0.22 3.68 -4.23 -0.66 -3.45 115.64 114.79 1pkj s THR 126 Ca 0.03 -1.39 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 1pkj s THR 126 Cb -0.14 -2.26 0.12 0.00 1.34 0.00 0.00 72.50 71.56 1pkj s THR 126 CO 0.01 0.18 1.09 -1.54 -0.54 0.00 0.00 174.62 173.83 1pkj n SER 127 N 1.06 2.32 -3.64 3.99 3.41 -1.24 -1.45 113.62 118.07 1pkj n SER 127 Ca -0.16 -2.18 -0.07 0.00 -0.26 0.00 0.00 58.87 56.20 1pkj n SER 127 Cb 0.52 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 1pkj n SER 127 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1pkj s HIS 128 N -1.31 -1.06 -0.07 7.33 2.46 -0.69 -0.76 115.29 121.19 1pkj s HIS 128 Ca 0.11 2.13 0.14 0.00 0.47 0.00 0.00 55.06 57.91 1pkj s HIS 128 Cb 0.08 0.63 -0.19 0.00 -0.13 0.00 0.00 32.58 32.97 1pkj s HIS 128 CO 0.04 -0.52 0.77 1.96 -2.47 0.00 0.00 174.74 174.52 1pkj h GLN 129 N 6.94 0.00 -6.48 2.88 1.08 -1.94 -3.48 115.11 114.11 1pkj h GLN 129 Ca -0.30 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.43 1pkj h GLN 129 Cb 1.23 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.67 1pkj h GLN 129 CO 0.16 0.44 -0.19 0.95 -0.95 0.00 0.00 178.83 179.23 1pkj s THR 130 N -2.74 2.45 0.45 -0.54 -4.23 -1.26 -5.00 115.64 104.78 1pkj s THR 130 Ca -0.03 -1.07 0.18 0.00 -1.18 0.00 0.00 61.69 59.59 1pkj s THR 130 Cb 0.08 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.77 1pkj s THR 130 CO 0.82 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.84 1pkj h ALA 131 N 0.46 2.21 0.00 3.99 0.00 -1.92 -3.47 119.26 120.53 1pkj h ALA 131 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pkj h ALA 131 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1pkj h ALA 131 CO 0.45 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1pkj n GLY 132 N -1.55 0.82 3.76 0.00 0.00 -1.26 -4.51 105.19 102.44 1pkj n GLY 132 Ca 0.13 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1pkj n GLY 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pkj s TRP 133 N -2.00 3.04 -0.12 1.61 0.52 -1.26 -1.08 118.94 119.66 1pkj s TRP 133 Ca 0.00 1.29 0.03 0.00 0.02 0.00 0.00 56.10 57.44 1pkj s TRP 133 Cb 0.00 -3.72 0.01 0.00 -1.15 0.00 0.00 33.47 28.61 1pkj s TRP 133 CO 0.00 -2.11 -0.21 0.42 0.02 0.00 0.00 176.95 175.07 1pkj s ILE 134 N -0.74 1.91 0.57 2.03 1.01 0.39 -4.96 121.20 121.42 1pkj s ILE 134 Ca 0.52 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 1pkj s ILE 134 Cb -0.40 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1pkj s ILE 134 CO 0.49 0.52 1.15 0.47 0.00 0.00 0.00 174.94 177.58 1pkj n ASP 135 N 3.89 1.69 -4.76 3.58 8.00 -1.26 -2.45 116.55 125.24 1pkj n ASP 135 Ca -0.20 0.90 -0.37 0.00 0.71 0.00 0.00 54.79 55.83 1pkj n ASP 135 Cb 0.52 -1.47 0.03 0.00 -0.02 0.00 0.00 41.12 40.17 1pkj n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pkj s ALA 136 N -1.39 2.78 0.00 2.24 0.00 -1.25 -1.91 121.76 122.23 1pkj s ALA 136 Ca 0.74 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1pkj s ALA 136 Cb -0.43 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1pkj s ALA 136 CO 0.48 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1pkj n GLY 137 N 0.61 1.80 3.76 0.00 0.00 -0.47 -4.83 105.19 106.06 1pkj n GLY 137 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1pkj n GLY 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pkj s PHE 138 N -2.61 2.34 -0.02 1.61 5.36 -0.80 -4.66 117.98 119.20 1pkj s PHE 138 Ca 0.00 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 1pkj s PHE 138 Cb 0.00 -3.90 0.02 0.00 -0.34 0.00 0.00 43.02 38.80 1pkj s PHE 138 CO 0.00 -3.02 0.00 0.15 -1.46 0.00 0.00 175.22 170.90 1pkj s LYS 139 N -2.66 0.13 0.00 10.12 1.02 -1.26 -0.83 119.74 126.26 1pkj s LYS 139 Ca 0.66 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.71 1pkj s LYS 139 Cb -0.43 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.60 1pkj s LYS 139 CO 0.53 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.29 1pkj n GLY 140 N 3.76 1.09 3.91 -3.33 0.00 0.03 -4.99 105.19 105.66 1pkj n GLY 140 Ca -0.22 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.51 1pkj n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkj s LYS 141 N -1.04 2.85 -0.23 1.61 1.02 -1.26 -0.91 119.74 121.77 1pkj s LYS 141 Ca 0.00 0.05 -0.15 0.00 0.02 0.00 0.00 55.97 55.89 1pkj s LYS 141 Cb 0.00 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1pkj s LYS 141 CO 0.00 -0.80 0.39 0.42 -0.92 0.00 0.00 175.35 174.44 1pkj s ILE 142 N -3.07 5.19 0.12 2.17 -1.09 -1.26 -4.93 121.20 118.33 1pkj s ILE 142 Ca 0.55 0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 59.32 1pkj s ILE 142 Cb -0.11 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 37.00 1pkj s ILE 142 CO 0.46 0.22 1.01 -0.89 -1.23 0.00 0.00 174.94 174.51 1pkj s THR 143 N 1.60 4.31 -0.08 2.92 2.01 -1.26 -1.83 115.64 123.31 1pkj s THR 143 Ca 0.17 1.91 0.00 0.00 0.31 0.00 0.00 61.69 64.09 1pkj s THR 143 Cb -0.15 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1pkj s THR 143 CO 0.08 0.29 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.49 1pkj s LEU 144 N -0.02 3.22 -0.43 4.42 1.43 -0.14 -4.94 118.68 122.22 1pkj s LEU 144 Ca 0.48 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1pkj s LEU 144 Cb -0.25 -1.71 0.11 0.00 0.03 0.00 0.00 46.19 44.37 1pkj s LEU 144 CO 0.31 0.34 0.26 -1.61 0.23 0.00 0.00 176.35 175.88 1pkj s GLU 145 N -0.69 2.20 -0.23 1.70 8.01 0.06 -0.89 118.70 128.86 1pkj s GLU 145 Ca 0.11 -1.79 -0.15 0.00 0.01 0.00 0.00 54.97 53.15 1pkj s GLU 145 Cb -0.11 -3.72 -0.04 0.00 -4.31 0.00 0.00 34.13 25.95 1pkj s GLU 145 CO 0.02 -1.11 0.37 0.42 0.01 0.00 0.00 175.26 174.96 1pkj s ILE 146 N 1.23 5.20 -0.05 -1.63 1.01 -0.43 -1.70 121.20 124.83 1pkj s ILE 146 Ca 0.07 0.61 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 1pkj s ILE 146 Cb -0.24 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1pkj s ILE 146 CO -0.03 0.22 0.13 -0.69 0.00 0.00 0.00 174.94 174.58 1pkj s VAL 147 N 1.58 -0.01 -0.16 2.92 1.01 -0.53 -2.49 120.40 122.72 1pkj s VAL 147 Ca 0.17 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 1pkj s VAL 147 Cb -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1pkj s VAL 147 CO 0.08 0.02 0.05 0.00 0.00 0.00 0.00 175.10 175.26 1pkj s ALA 148 N 0.38 3.41 -1.62 5.51 0.00 -1.26 -1.65 121.76 126.53 1pkj s ALA 148 Ca -0.03 -0.75 0.14 0.00 0.00 0.00 0.00 51.96 51.33 1pkj s ALA 148 Cb -0.04 -1.83 0.08 0.00 0.00 0.00 0.00 23.12 21.34 1pkj s ALA 148 CO -0.02 0.30 0.90 1.19 0.00 0.00 0.00 175.76 178.13 1pkj n PHE 149 N 3.14 0.00 0.08 0.00 3.72 -0.17 -4.05 117.46 120.18 1pkj n PHE 149 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1pkj n PHE 149 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1pkj n PHE 149 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1pkj n ASP 150 N 0.56 0.34 -4.11 4.37 2.03 -1.26 -5.05 116.55 113.42 1pkj n ASP 150 Ca 0.08 0.25 -0.09 0.00 0.52 0.00 0.00 54.79 55.55 1pkj n ASP 150 Cb 0.33 0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.68 1pkj n ASP 150 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1pkj s LYS 151 N -1.75 0.83 0.41 -0.67 1.02 -1.26 -4.89 119.74 113.43 1pkj s LYS 151 Ca 0.00 -1.34 -0.25 0.00 0.02 0.00 0.00 55.97 54.41 1pkj s LYS 151 Cb 0.00 0.24 -0.11 0.00 -0.52 0.00 0.00 37.83 37.45 1pkj s LYS 151 CO 0.00 -0.22 1.05 -2.30 -0.92 0.00 0.00 175.35 172.96 1pkj n PRO 152 N -0.03 1.44 -4.67 -1.68 -0.02 -1.26 -4.69 135.00 124.09 1pkj n PRO 152 Ca -0.09 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.67 1pkj n PRO 152 Cb 0.63 -2.09 -0.16 0.00 -0.02 0.00 0.00 33.50 31.87 1pkj n PRO 152 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pkj s VAL 153 N -1.25 1.17 -0.08 -1.45 1.01 -0.05 -4.94 120.40 114.82 1pkj s VAL 153 Ca 0.63 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 1pkj s VAL 153 Cb -0.56 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1pkj s VAL 153 CO 0.57 0.34 0.49 -0.63 0.00 0.00 0.00 175.10 175.88 1pkj s ILE 154 N -0.06 5.11 0.04 2.22 1.01 -1.26 -0.79 121.20 127.47 1pkj s ILE 154 Ca -0.00 1.00 0.09 0.00 0.00 0.00 0.00 60.65 61.74 1pkj s ILE 154 Cb -0.09 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1pkj s ILE 154 CO 0.01 0.38 -0.26 -0.76 0.00 0.00 0.00 174.94 174.30 1pkj s LEU 155 N 0.24 2.16 0.01 2.97 1.43 0.04 -4.98 118.68 120.55 1pkj s LEU 155 Ca 0.27 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1pkj s LEU 155 Cb -0.16 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1pkj s LEU 155 CO 0.12 0.26 -0.12 -0.31 0.23 0.00 0.00 176.35 176.53 1pkj s TYR 156 N -0.79 2.74 0.37 0.29 2.02 -1.26 -1.42 117.35 119.30 1pkj s TYR 156 Ca 0.12 -0.13 -0.28 0.00 -0.37 0.00 0.00 57.07 56.40 1pkj s TYR 156 Cb -0.10 -1.56 -0.11 0.00 -0.40 0.00 0.00 41.96 39.78 1pkj s TYR 156 CO 0.02 0.30 1.44 1.17 -1.57 0.00 0.00 175.55 176.91 1pkj n LYS 157 N 1.68 2.54 -0.84 -0.62 4.81 0.12 -2.25 118.16 123.59 1pkj n LYS 157 Ca -0.16 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1pkj n LYS 157 Cb 0.52 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.99 1pkj n LYS 157 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pkj n ASN 158 N 0.55 -3.11 -4.82 3.14 5.03 0.33 -4.96 115.26 111.41 1pkj n ASN 158 Ca 0.02 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.14 1pkj n ASN 158 Cb 0.38 -2.46 -0.02 0.00 -1.02 0.00 0.00 39.78 36.66 1pkj n ASN 158 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pkj s GLN 159 N -1.23 3.68 0.20 3.52 -2.07 -0.96 -4.54 119.66 118.26 1pkj s GLN 159 Ca 0.00 1.14 -0.31 0.00 -1.82 0.00 0.00 55.36 54.37 1pkj s GLN 159 Cb 0.00 -2.09 -0.10 0.00 -1.09 0.00 0.00 33.01 29.73 1pkj s GLN 159 CO 0.00 -0.51 1.53 1.03 -1.32 0.00 0.00 175.29 176.02 1pkj s ARG 160 N -3.86 4.23 -0.01 9.60 0.52 -1.26 -1.12 118.95 127.04 1pkj s ARG 160 Ca 0.63 2.35 0.02 0.00 -0.52 0.00 0.00 55.73 58.21 1pkj s ARG 160 Cb -0.13 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 1pkj s ARG 160 CO 0.30 -0.55 0.04 1.51 0.02 0.00 0.00 175.30 176.63 1pkj n ILE 161 N 3.35 0.05 -2.91 1.52 0.13 -0.59 -4.86 119.36 116.04 1pkj n ILE 161 Ca 0.11 -0.07 0.00 0.00 -1.10 0.00 0.00 62.75 61.69 1pkj n ILE 161 Cb 0.39 0.04 0.00 0.00 -0.84 0.00 0.00 39.64 39.22 1pkj n ILE 161 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1pkj n GLY 162 N 2.50 1.47 3.14 4.50 0.00 -1.22 -0.98 105.19 114.60 1pkj n GLY 162 Ca -0.01 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 1pkj n GLY 162 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pkj s GLN 163 N 0.00 0.65 -0.17 1.61 -0.21 -0.43 -1.51 119.66 119.60 1pkj s GLN 163 Ca 0.00 -0.84 -0.04 0.00 0.02 0.00 0.00 55.36 54.50 1pkj s GLN 163 Cb 0.00 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.24 1pkj s GLN 163 CO 0.00 -0.17 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.45 1pkj s LEU 164 N -2.37 3.15 -0.21 2.90 1.43 0.98 -1.86 118.68 122.70 1pkj s LEU 164 Ca -0.01 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1pkj s LEU 164 Cb 0.01 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1pkj s LEU 164 CO -0.06 0.11 0.05 -0.63 0.23 0.00 0.00 176.35 176.05 1pkj s ILE 165 N 0.69 4.34 -0.18 -0.59 1.09 0.08 -1.11 121.20 125.52 1pkj s ILE 165 Ca -0.02 -0.18 -0.09 0.00 -1.10 0.00 0.00 60.65 59.26 1pkj s ILE 165 Cb -0.14 -2.99 -0.05 0.00 -1.06 0.00 0.00 42.46 38.22 1pkj s ILE 165 CO 0.02 0.40 0.12 -0.36 -0.10 0.00 0.00 174.94 175.02 1pkj s PHE 166 N 1.07 3.42 0.00 3.97 0.08 -1.26 -0.65 117.98 124.60 1pkj s PHE 166 Ca 0.03 0.33 0.06 0.00 0.12 0.00 0.00 56.93 57.48 1pkj s PHE 166 Cb -0.14 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1pkj s PHE 166 CO 0.03 0.35 -0.20 0.45 -0.10 0.00 0.00 175.22 175.75 1pkj s SER 167 N 0.12 2.34 0.40 1.36 0.15 0.96 -0.89 113.70 118.14 1pkj s SER 167 Ca 0.09 -0.41 -0.24 0.00 0.70 0.00 0.00 55.95 56.09 1pkj s SER 167 Cb -0.11 -0.24 -0.09 0.00 -1.71 0.00 0.00 66.02 63.87 1pkj s SER 167 CO -0.01 0.21 1.04 -0.54 1.20 0.00 0.00 173.24 175.14 1pkj s LYS 168 N -0.69 4.19 0.24 5.44 -0.14 -0.41 -0.65 119.74 127.72 1pkj s LYS 168 Ca 0.07 1.47 -0.04 0.00 -1.36 0.00 0.00 55.97 56.12 1pkj s LYS 168 Cb -0.08 -2.52 -0.05 0.00 -1.68 0.00 0.00 37.83 33.50 1pkj s LYS 168 CO 0.00 -0.11 0.48 -0.51 -0.76 0.00 0.00 175.35 174.45 1pkj s LEU 169 N -2.66 4.14 0.44 3.17 1.43 -0.53 -4.43 118.68 120.25 1pkj s LEU 169 Ca 0.58 0.62 0.18 0.00 -1.03 0.00 0.00 54.13 54.48 1pkj s LEU 169 Cb -0.21 -3.41 1.02 0.00 0.03 0.00 0.00 46.19 43.63 1pkj s LEU 169 CO 0.26 -0.11 1.95 0.25 0.23 0.00 0.00 176.35 178.92 1pkj h LEU 170 N 1.97 0.00 -7.40 1.79 5.85 -1.97 -3.45 115.31 112.10 1pkj h LEU 170 Ca -0.47 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1pkj h LEU 170 Cb 1.19 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.08 1pkj h LEU 170 CO 0.68 0.24 -0.08 -0.44 -0.34 0.00 0.00 178.44 178.49 1pkj s SER 171 N -6.69 -0.23 0.49 1.25 0.01 -1.26 -5.15 113.70 102.12 1pkj s SER 171 Ca -0.03 -0.29 -0.22 0.00 1.31 0.00 0.00 55.95 56.72 1pkj s SER 171 Cb 0.14 0.47 -0.07 0.00 0.21 0.00 0.00 66.02 66.77 1pkj s SER 171 CO 0.67 -0.83 1.18 -2.16 0.41 0.00 0.00 173.24 172.51 1pkj s PRO 172 N -3.67 3.59 0.49 12.44 0.04 -1.26 -4.82 135.00 141.81 1pkj s PRO 172 Ca 0.02 1.81 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 1pkj s PRO 172 Cb 0.02 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 1pkj s PRO 172 CO -0.11 -0.70 0.75 0.00 0.04 0.00 0.00 177.00 176.99 1pkj s ALA 173 N -1.55 3.55 -0.36 8.56 0.00 0.44 -5.00 121.76 127.38 1pkj s ALA 173 Ca 0.66 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1pkj s ALA 173 Cb -0.29 -2.36 0.54 0.00 0.00 0.00 0.00 23.12 21.01 1pkj s ALA 173 CO 0.35 -0.48 1.64 -0.25 0.00 0.00 0.00 175.76 177.02 1pkj n ASP 174 N -2.25 3.86 0.00 0.00 9.92 -1.26 -4.89 116.55 121.92 1pkj n ASP 174 Ca 0.02 -3.09 0.00 0.00 -0.53 0.00 0.00 54.79 51.19 1pkj n ASP 174 Cb 0.57 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1pkj n ASP 174 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85