#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjw s LYS 2 N 0.00 1.06 0.12 -0.67 -2.85 -1.26 -5.15 119.74 110.99 1pjw s LYS 2 Ca 0.00 -0.65 -0.18 0.00 -1.00 0.00 0.00 55.97 54.14 1pjw s LYS 2 Cb 0.00 0.32 -0.07 0.00 -2.06 0.00 0.00 37.83 36.02 1pjw s LYS 2 CO 0.00 -0.49 0.59 -0.51 0.10 0.00 0.00 175.35 175.04 1pjw s LEU 3 N -3.23 4.45 0.26 2.77 1.43 -1.26 -5.08 118.68 118.02 1pjw s LEU 3 Ca 0.18 1.24 0.11 0.00 -1.03 0.00 0.00 54.13 54.63 1pjw s LEU 3 Cb -0.01 -3.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 1pjw s LEU 3 CO 0.02 0.20 -0.12 0.00 0.23 0.00 0.00 176.35 176.68 1pjw s ALA 4 N -1.26 2.90 -0.80 4.21 0.00 -1.26 -5.06 121.76 120.48 1pjw s ALA 4 Ca 0.33 -1.75 0.02 0.00 0.00 0.00 0.00 51.96 50.57 1pjw s ALA 4 Cb -0.18 -0.49 0.32 0.00 0.00 0.00 0.00 23.12 22.77 1pjw s ALA 4 CO 0.20 0.30 1.28 -0.11 0.00 0.00 0.00 175.76 177.43 1pjw n LEU 5 N -0.60 5.59 -3.89 0.00 7.94 -1.26 -4.99 117.00 119.79 1pjw n LEU 5 Ca -0.07 -5.50 -0.24 0.00 -1.11 0.00 0.00 56.01 49.10 1pjw n LEU 5 Cb 0.59 -0.86 -0.17 0.00 0.53 0.00 0.00 43.42 43.51 1pjw n LEU 5 CO 0.38 2.14 -0.42 -0.75 -1.11 0.00 0.00 177.39 177.62 1pjw s LYS 6 N -3.55 1.15 -0.28 1.96 2.47 -1.26 -5.12 119.74 115.11 1pjw s LYS 6 Ca 0.42 -0.15 -0.17 0.00 -1.56 0.00 0.00 55.97 54.51 1pjw s LYS 6 Cb 0.20 -1.20 0.09 0.00 -1.46 0.00 0.00 37.83 35.46 1pjw s LYS 6 CO -0.09 -0.17 0.73 0.20 0.16 0.00 0.00 175.35 176.17 1pjw s GLY 7 N 1.37 -0.56 1.08 5.54 0.00 -1.26 -5.16 107.32 108.33 1pjw s GLY 7 Ca -0.03 2.45 -0.16 0.00 0.00 0.00 0.00 44.72 46.99 1pjw s GLY 7 CO -0.03 2.34 0.32 2.41 0.00 0.00 0.00 173.10 178.14 1pjw n THR 8 N 4.03 0.00 -0.74 0.90 -1.04 -1.26 -4.89 114.28 111.28 1pjw n THR 8 Ca -0.19 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.21 1pjw n THR 8 Cb 0.58 -0.69 0.14 0.00 -1.82 0.00 0.00 70.33 68.55 1pjw n THR 8 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1pjw n THR 9 N -4.30 0.00 -3.85 12.58 5.66 -1.26 -5.02 114.28 118.09 1pjw n THR 9 Ca 0.03 -0.23 -0.04 0.00 -3.05 0.00 0.00 64.05 60.76 1pjw n THR 9 Cb 0.58 -0.63 0.02 0.00 -1.55 0.00 0.00 70.33 68.75 1pjw n THR 9 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1pjw s TYR 10 N -2.35 0.06 0.25 1.09 2.02 -1.26 -5.17 117.35 112.00 1pjw s TYR 10 Ca 0.57 -0.52 0.07 0.00 -0.37 0.00 0.00 57.07 56.82 1pjw s TYR 10 Cb -0.18 0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 42.07 1pjw s TYR 10 CO 0.67 -1.07 0.19 0.20 -1.57 0.00 0.00 175.55 173.97 1pjw s GLY 11 N -3.29 1.43 -0.22 0.71 0.00 -1.26 -5.10 107.32 99.59 1pjw s GLY 11 Ca 0.19 -1.44 -0.04 0.00 0.00 0.00 0.00 44.72 43.44 1pjw s GLY 11 CO 0.06 -1.47 -0.03 -3.16 0.00 0.00 0.00 173.10 168.50 1pjw s MET 12 N -3.84 3.43 -0.22 2.90 0.23 -1.26 -3.84 119.30 116.71 1pjw s MET 12 Ca 0.33 -0.60 -0.04 0.00 -1.03 0.00 0.00 55.69 54.35 1pjw s MET 12 Cb -0.08 -3.05 0.08 0.00 -1.53 0.00 0.00 34.83 30.25 1pjw s MET 12 CO 0.25 -0.18 0.13 0.00 -2.03 0.00 0.00 175.02 173.19 1pjw n THR 14 N 5.28 0.00 0.83 0.00 -1.04 -1.23 -4.21 114.28 113.90 1pjw n THR 14 Ca -0.06 -0.51 0.04 0.00 -2.04 0.00 0.00 64.05 61.48 1pjw n THR 14 Cb 0.47 0.73 0.25 0.00 -1.82 0.00 0.00 70.33 69.97 1pjw n THR 14 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1pjw n GLU 15 N -0.79 0.41 -2.74 -2.82 0.00 -1.26 -3.74 120.64 109.71 1pjw n GLU 15 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.58 1pjw n GLU 15 Cb 0.76 -1.32 0.00 0.00 0.00 0.00 0.00 31.44 30.88 1pjw n GLU 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pjw n LYS 16 N -0.82 4.84 -3.49 5.31 4.76 -1.26 -4.98 118.16 122.52 1pjw n LYS 16 Ca 0.06 -4.71 -0.37 0.00 -2.87 0.00 0.00 58.31 50.42 1pjw n LYS 16 Cb 0.03 -2.41 -0.06 0.00 -1.84 0.00 0.00 35.03 30.75 1pjw n LYS 16 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1pjw s PHE 17 N -4.04 3.67 -0.34 2.13 0.40 -1.24 -1.42 117.98 117.13 1pjw s PHE 17 Ca 0.41 0.96 0.01 0.00 -0.60 0.00 0.00 56.93 57.71 1pjw s PHE 17 Cb 0.21 -2.28 0.11 0.00 0.51 0.00 0.00 43.02 41.57 1pjw s PHE 17 CO -0.12 0.57 0.11 0.45 0.70 0.00 0.00 175.22 176.92 1pjw s SER 18 N -1.40 4.23 -0.66 1.36 0.15 -0.01 -4.89 113.70 112.48 1pjw s SER 18 Ca 0.29 -1.98 -0.26 0.00 0.70 0.00 0.00 55.95 54.71 1pjw s SER 18 Cb -0.16 -1.16 -0.12 0.00 -1.71 0.00 0.00 66.02 62.87 1pjw s SER 18 CO 0.16 -0.38 2.44 0.49 1.20 0.00 0.00 173.24 177.16 1pjw n PHE 19 N 4.43 1.16 0.03 3.44 3.72 -1.26 -0.45 117.46 128.54 1pjw n PHE 19 Ca 0.01 0.12 -0.07 0.00 -0.05 0.00 0.00 57.45 57.46 1pjw n PHE 19 Cb 0.41 -2.48 -0.12 0.00 -0.94 0.00 0.00 39.48 36.34 1pjw n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pjw h ALA 20 N 16.49 0.52 -3.12 4.37 0.00 -0.94 -3.47 119.26 133.11 1pjw h ALA 20 Ca -0.14 -1.12 -0.17 0.00 0.00 0.00 0.00 54.91 53.48 1pjw h ALA 20 Cb 1.20 0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.86 1pjw h ALA 20 CO 1.18 1.37 -0.57 0.15 0.00 0.00 0.00 179.25 181.37 1pjw s LYS 21 N -2.67 0.29 0.92 0.00 1.02 -0.96 -4.98 119.74 113.36 1pjw s LYS 21 Ca -0.01 -0.19 -0.11 0.00 0.02 0.00 0.00 55.97 55.68 1pjw s LYS 21 Cb 0.09 0.12 0.14 0.00 -0.52 0.00 0.00 37.83 37.66 1pjw s LYS 21 CO 0.82 -0.06 1.09 0.54 -0.92 0.00 0.00 175.35 176.83 1pjw s ASN 22 N -0.74 3.19 0.18 2.83 2.20 -1.26 -3.86 114.94 117.48 1pjw s ASN 22 Ca -0.08 1.69 -0.30 0.00 -0.94 0.00 0.00 52.86 53.22 1pjw s ASN 22 Cb -0.05 -2.33 -0.08 0.00 -2.00 0.00 0.00 41.25 36.79 1pjw s ASN 22 CO 0.00 -2.85 1.23 -2.16 -2.94 0.00 0.00 177.10 170.39 1pjw s PRO 23 N -4.81 4.45 0.20 3.55 0.04 -1.26 -4.66 135.00 132.51 1pjw s PRO 23 Ca 0.64 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.68 1pjw s PRO 23 Cb -0.20 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1pjw s PRO 23 CO 0.58 -0.15 -0.11 0.00 0.04 0.00 0.00 177.00 177.36 1pjw s ALA 24 N 0.05 1.88 0.04 8.56 0.00 0.05 -4.29 121.76 128.06 1pjw s ALA 24 Ca 0.54 -1.65 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1pjw s ALA 24 Cb -0.34 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1pjw s ALA 24 CO 0.37 -0.01 0.38 0.16 0.00 0.00 0.00 175.76 176.65 1pjw s ASP 25 N -3.29 6.67 -0.13 0.00 -4.77 -1.26 -0.01 116.67 113.88 1pjw s ASP 25 Ca 0.22 0.81 0.01 0.00 -3.30 0.00 0.00 52.55 50.29 1pjw s ASP 25 Cb 0.01 -2.19 -0.09 0.00 -1.09 0.00 0.00 42.92 39.56 1pjw s ASP 25 CO 0.06 0.24 -0.11 0.41 0.70 0.00 0.00 175.17 176.47 1pjw n THR 26 N 1.27 0.76 0.00 2.11 -1.04 -0.75 -4.93 114.28 111.70 1pjw n THR 26 Ca -0.11 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1pjw n THR 26 Cb 0.52 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 1pjw n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pjw n GLY 27 N 2.85 2.31 2.77 3.41 0.00 -1.26 -5.06 105.19 110.21 1pjw n GLY 27 Ca -0.23 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1pjw n GLY 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pjw s HIS 28 N 1.51 2.09 0.00 1.61 2.46 -1.26 -4.75 115.29 116.95 1pjw s HIS 28 Ca 0.00 -2.08 0.00 0.00 0.47 0.00 0.00 55.06 53.45 1pjw s HIS 28 Cb 0.00 -1.94 0.00 0.00 -0.13 0.00 0.00 32.58 30.51 1pjw s HIS 28 CO 0.00 -0.87 0.00 0.41 -2.47 0.00 0.00 174.74 171.81 1pjw n GLY 29 N 4.49 1.37 2.76 1.59 0.00 -1.26 -5.08 105.19 109.06 1pjw n GLY 29 Ca 0.01 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1pjw n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pjw s THR 30 N -2.01 0.50 -0.18 2.61 -4.23 -1.26 -4.49 115.64 106.57 1pjw s THR 30 Ca 0.00 -0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.22 1pjw s THR 30 Cb 0.00 -0.82 -0.02 0.00 1.34 0.00 0.00 72.50 73.00 1pjw s THR 30 CO 0.00 0.03 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.36 1pjw s VAL 31 N 1.90 3.50 0.12 2.29 1.01 -0.48 -1.81 120.40 126.92 1pjw s VAL 31 Ca 0.02 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1pjw s VAL 31 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1pjw s VAL 31 CO -0.07 0.46 0.03 -0.69 0.00 0.00 0.00 175.10 174.84 1pjw s VAL 32 N 0.93 4.11 0.20 2.92 1.01 0.98 -1.09 120.40 129.47 1pjw s VAL 32 Ca -0.01 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 1pjw s VAL 32 Cb -0.15 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 1pjw s VAL 32 CO 0.01 0.04 0.40 -0.51 0.00 0.00 0.00 175.10 175.03 1pjw s ILE 33 N -1.48 0.03 -0.25 2.22 2.07 0.09 -0.77 121.20 123.11 1pjw s ILE 33 Ca 0.27 -1.29 -0.03 0.00 -1.41 0.00 0.00 60.65 58.19 1pjw s ILE 33 Cb -0.11 -1.94 0.08 0.00 0.13 0.00 0.00 42.46 40.63 1pjw s ILE 33 CO 0.20 -0.15 0.09 -0.70 -1.91 0.00 0.00 174.94 172.47 1pjw s GLU 34 N -3.97 0.41 -0.07 3.50 2.56 -1.25 -0.61 118.70 119.27 1pjw s GLU 34 Ca 0.18 -0.56 0.03 0.00 0.00 0.00 0.00 54.97 54.61 1pjw s GLU 34 Cb 0.01 -1.71 -0.02 0.00 2.00 0.00 0.00 34.13 34.41 1pjw s GLU 34 CO 0.03 -0.86 -0.14 -0.51 -0.56 0.00 0.00 175.26 173.22 1pjw s LEU 35 N 1.93 2.71 -0.13 2.70 1.02 -0.23 -0.23 118.68 126.46 1pjw s LEU 35 Ca 0.06 -0.24 -0.23 0.00 0.02 0.00 0.00 54.13 53.73 1pjw s LEU 35 Cb -0.17 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 1pjw s LEU 35 CO -0.22 0.29 0.73 -0.44 0.02 0.00 0.00 176.35 176.73 1pjw s SER 36 N -0.41 6.91 -0.56 2.29 0.01 0.41 0.05 113.70 122.39 1pjw s SER 36 Ca 0.05 1.10 -0.20 0.00 1.31 0.00 0.00 55.95 58.21 1pjw s SER 36 Cb -0.12 -2.41 0.08 0.00 0.21 0.00 0.00 66.02 63.78 1pjw s SER 36 CO 0.02 -0.24 0.72 -0.47 0.41 0.00 0.00 173.24 173.67 1pjw s TYR 37 N 1.50 2.97 -1.15 2.43 5.04 -1.03 -0.83 117.35 126.27 1pjw s TYR 37 Ca 0.36 -0.70 -0.06 0.00 -2.44 0.00 0.00 57.07 54.23 1pjw s TYR 37 Cb -0.17 -3.87 0.26 0.00 0.35 0.00 0.00 41.96 38.53 1pjw s TYR 37 CO 0.14 -1.24 1.62 0.43 -1.34 0.00 0.00 175.55 175.17 1pjw n SER 38 N 6.49 5.97 -4.25 4.32 7.64 -0.51 -4.24 113.62 129.05 1pjw n SER 38 Ca -0.07 -3.31 -0.34 0.00 1.01 0.00 0.00 58.87 56.16 1pjw n SER 38 Cb 0.44 -1.34 -0.15 0.00 -1.01 0.00 0.00 64.21 62.15 1pjw n SER 38 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1pjw s GLY 39 N -0.88 1.49 -0.01 0.23 0.00 -1.26 -4.78 107.32 102.11 1pjw s GLY 39 Ca 0.34 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.98 1pjw s GLY 39 CO 0.07 0.16 0.95 -1.14 0.00 0.00 0.00 173.10 173.15 1pjw n SER 40 N 4.32 0.66 -0.70 1.64 3.41 -1.26 -3.27 113.62 118.42 1pjw n SER 40 Ca -0.19 -2.02 0.12 0.00 -0.26 0.00 0.00 58.87 56.52 1pjw n SER 40 Cb 0.51 -0.16 0.16 0.00 -0.26 0.00 0.00 64.21 64.46 1pjw n SER 40 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pjw n ASP 41 N -0.20 2.34 0.00 4.04 9.92 -1.26 -5.07 116.55 126.32 1pjw n ASP 41 Ca 0.03 -1.70 0.00 0.00 -0.53 0.00 0.00 54.79 52.59 1pjw n ASP 41 Cb 0.13 0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pjw n GLY 42 N 1.34 -1.21 3.78 0.44 0.00 -1.20 -4.91 105.19 103.42 1pjw n GLY 42 Ca 0.13 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1pjw n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjw s PRO 43 N 0.00 3.41 -0.04 1.61 0.04 -1.25 -4.88 135.00 133.88 1pjw s PRO 43 Ca 0.00 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1pjw s PRO 43 Cb 0.00 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.63 1pjw s PRO 43 CO 0.00 -0.78 1.05 0.00 0.04 0.00 0.00 177.00 177.31 1pjw s LYS 45 N -2.83 4.44 -0.46 0.00 -0.14 -1.25 0.16 119.74 119.65 1pjw s LYS 45 Ca 0.09 1.85 -0.22 0.00 -1.36 0.00 0.00 55.97 56.33 1pjw s LYS 45 Cb -0.00 -3.29 0.03 0.00 -1.68 0.00 0.00 37.83 32.88 1pjw s LYS 45 CO -0.05 -0.23 0.75 0.42 -0.76 0.00 0.00 175.35 175.48 1pjw s ILE 46 N 0.68 4.69 -1.42 2.17 1.01 0.26 -1.51 121.20 127.08 1pjw s ILE 46 Ca 0.58 0.26 -0.14 0.00 0.00 0.00 0.00 60.65 61.35 1pjw s ILE 46 Cb -0.32 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.85 1pjw s ILE 46 CO 0.32 -0.73 2.31 -0.81 0.00 0.00 0.00 174.94 176.03 1pjw n PRO 47 N 6.62 2.86 -4.42 2.79 -0.04 -1.26 -4.77 135.00 136.77 1pjw n PRO 47 Ca 0.01 -2.47 -0.31 0.00 -0.04 0.00 0.00 63.50 60.68 1pjw n PRO 47 Cb 0.48 -3.18 -0.10 0.00 -0.04 0.00 0.00 33.50 30.66 1pjw n PRO 47 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pjw s ILE 48 N 3.20 3.54 -0.04 0.52 1.09 -1.26 -2.35 121.20 125.90 1pjw s ILE 48 Ca 0.51 -0.91 0.06 0.00 -1.10 0.00 0.00 60.65 59.21 1pjw s ILE 48 Cb 0.15 -2.57 -0.02 0.00 -1.06 0.00 0.00 42.46 38.96 1pjw s ILE 48 CO -0.07 0.32 -0.22 0.68 -0.10 0.00 0.00 174.94 175.55 1pjw s VAL 49 N -1.05 2.37 -0.34 2.92 -7.23 -0.96 -4.98 120.40 111.14 1pjw s VAL 49 Ca 0.18 -0.98 0.04 0.00 -1.81 0.00 0.00 61.98 59.41 1pjw s VAL 49 Cb -0.11 -1.86 0.10 0.00 0.56 0.00 0.00 36.38 35.06 1pjw s VAL 49 CO 0.09 0.58 0.04 -0.44 -0.31 0.00 0.00 175.10 175.06 1pjw s SER 50 N -0.56 4.76 0.23 4.85 0.01 -1.26 -2.31 113.70 119.42 1pjw s SER 50 Ca 0.08 -2.11 0.09 0.00 1.31 0.00 0.00 55.95 55.33 1pjw s SER 50 Cb -0.11 -1.63 -0.05 0.00 0.21 0.00 0.00 66.02 64.45 1pjw s SER 50 CO 0.00 -0.37 -0.17 0.68 0.41 0.00 0.00 173.24 173.80 1pjw s VAL 51 N 0.92 2.02 1.03 3.43 -7.23 -1.04 0.24 120.40 119.76 1pjw s VAL 51 Ca 0.10 -2.28 -0.13 0.00 -1.81 0.00 0.00 61.98 57.86 1pjw s VAL 51 Cb -0.19 -2.13 0.15 0.00 0.56 0.00 0.00 36.38 34.76 1pjw s VAL 51 CO -0.08 -0.51 0.71 0.00 -0.31 0.00 0.00 175.10 174.91 1pjw n ALA 52 N -0.45 -2.41 -2.25 1.32 0.00 -1.26 0.25 120.51 115.72 1pjw n ALA 52 Ca -0.07 -0.85 -0.41 0.00 0.00 0.00 0.00 53.44 52.11 1pjw n ALA 52 Cb 0.60 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 1pjw n ALA 52 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pjw s SER 53 N -2.27 5.87 0.00 0.00 0.01 0.75 -2.40 113.70 115.66 1pjw s SER 53 Ca 0.63 0.42 0.00 0.00 1.31 0.00 0.00 55.95 58.30 1pjw s SER 53 Cb -0.21 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1pjw s SER 53 CO 0.64 -1.89 0.00 -0.11 0.41 0.00 0.00 173.24 172.29 1pjw n LEU 54 N 10.49 0.00 -3.47 2.44 7.94 -1.26 -4.90 117.00 128.24 1pjw n LEU 54 Ca 0.16 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.78 1pjw n LEU 54 Cb 0.50 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.33 1pjw n LEU 54 CO 0.71 0.00 -0.30 0.21 -1.11 0.00 0.00 177.39 176.90 1pjw s ASN 55 N -2.00 2.37 -0.09 1.96 3.04 -1.12 -4.93 114.94 114.16 1pjw s ASN 55 Ca 0.00 -2.74 0.16 0.00 0.04 0.00 0.00 52.86 50.32 1pjw s ASN 55 Cb 0.00 -0.53 0.61 0.00 -1.54 0.00 0.00 41.25 39.79 1pjw s ASN 55 CO 0.00 -0.23 1.50 0.47 -3.04 0.00 0.00 177.10 175.80 1pjw n ASP 56 N 3.31 4.10 0.00 -4.21 9.92 -1.26 -4.05 116.55 124.36 1pjw n ASP 56 Ca 0.21 -2.37 0.00 0.00 -0.53 0.00 0.00 54.79 52.10 1pjw n ASP 56 Cb 0.42 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1pjw n ASP 56 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1pjw n MET 57 N 0.94 3.94 -4.58 -1.24 1.56 -1.26 -5.02 117.12 111.45 1pjw n MET 57 Ca 0.22 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.40 1pjw n MET 57 Cb 0.77 -0.49 -0.17 0.00 2.15 0.00 0.00 33.22 35.48 1pjw n MET 57 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1pjw s THR 58 N -0.90 1.15 0.13 1.12 2.01 -1.26 -5.11 115.64 112.79 1pjw s THR 58 Ca 0.00 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1pjw s THR 58 Cb 0.00 -1.05 -0.07 0.00 0.01 0.00 0.00 72.50 71.39 1pjw s THR 58 CO 0.00 0.36 1.23 -2.16 -0.69 0.00 0.00 174.62 173.36 1pjw s PRO 59 N 0.68 4.44 0.00 4.92 0.04 -1.26 -4.76 135.00 139.06 1pjw s PRO 59 Ca -0.14 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1pjw s PRO 59 Cb -0.16 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1pjw s PRO 59 CO 0.04 -0.21 0.00 0.28 0.04 0.00 0.00 177.00 177.15 1pjw n VAL 60 N 3.23 0.00 -2.54 -0.36 0.31 -1.25 -5.01 118.33 112.71 1pjw n VAL 60 Ca 0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.99 1pjw n VAL 60 Cb 0.45 -0.18 -0.04 0.00 -0.91 0.00 0.00 33.84 33.16 1pjw n VAL 60 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1pjw s GLY 61 N -3.55 2.85 0.16 2.92 0.00 0.66 -4.64 107.32 105.72 1pjw s GLY 61 Ca 0.00 0.78 0.11 0.00 0.00 0.00 0.00 44.72 45.61 1pjw s GLY 61 CO 0.00 1.64 -0.24 0.50 0.00 0.00 0.00 173.10 175.00 1pjw s ARG 62 N -0.26 1.52 -0.21 2.90 0.52 -1.26 -4.43 118.95 117.73 1pjw s ARG 62 Ca 0.49 -1.42 -0.16 0.00 -0.52 0.00 0.00 55.73 54.12 1pjw s ARG 62 Cb -0.29 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 1pjw s ARG 62 CO 0.34 0.43 0.42 -0.51 0.02 0.00 0.00 175.30 175.99 1pjw s LEU 63 N -2.40 4.14 0.02 2.53 1.43 -1.26 -0.36 118.68 122.78 1pjw s LEU 63 Ca 0.18 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 1pjw s LEU 63 Cb -0.09 -2.54 -0.33 0.00 0.03 0.00 0.00 46.19 43.26 1pjw s LEU 63 CO 0.09 -0.11 0.96 0.58 0.23 0.00 0.00 176.35 178.10 1pjw h VAL 64 N 5.10 1.26 -3.46 -1.59 2.07 -1.24 -3.46 116.25 114.92 1pjw h VAL 64 Ca -0.35 -2.74 -0.43 0.00 0.82 0.00 0.00 66.70 64.00 1pjw h VAL 64 Cb 1.16 2.97 0.19 0.00 -1.52 0.00 0.00 31.29 34.09 1pjw h VAL 64 CO 0.71 0.83 0.07 0.28 0.02 0.00 0.00 177.57 179.49 1pjw s THR 65 N -2.61 1.81 1.17 2.57 -1.32 -1.24 -4.98 115.64 111.04 1pjw s THR 65 Ca -0.09 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.22 1pjw s THR 65 Cb 0.05 -2.29 0.25 0.00 -1.51 0.00 0.00 72.50 69.00 1pjw s THR 65 CO 0.92 0.00 0.56 1.33 -2.21 0.00 0.00 174.62 175.22 1pjw n VAL 66 N -4.77 0.00 -1.48 5.08 0.24 -1.26 -4.78 118.33 111.35 1pjw n VAL 66 Ca 0.07 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.92 1pjw n VAL 66 Cb 0.57 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 1pjw n VAL 66 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1pjw n ASN 67 N -2.92 -0.42 -3.50 -1.34 3.02 -1.26 -4.73 115.26 104.10 1pjw n ASN 67 Ca 0.09 0.98 -0.37 0.00 -0.03 0.00 0.00 54.58 55.24 1pjw n ASN 67 Cb 0.42 -1.14 -0.03 0.00 -0.61 0.00 0.00 39.78 38.42 1pjw n ASN 67 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1pjw n PRO 68 N 0.60 2.14 -4.16 3.52 -0.04 -1.26 -4.85 135.00 130.95 1pjw n PRO 68 Ca 0.12 -1.94 -0.28 0.00 -0.04 0.00 0.00 63.50 61.36 1pjw n PRO 68 Cb 0.37 -2.87 -0.17 0.00 -0.04 0.00 0.00 33.50 30.80 1pjw n PRO 68 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1pjw s PHE 69 N 3.95 1.88 -0.83 0.54 0.08 -1.26 0.92 117.98 123.26 1pjw s PHE 69 Ca 0.52 -0.96 -0.07 0.00 0.12 0.00 0.00 56.93 56.54 1pjw s PHE 69 Cb 0.14 -1.41 -0.06 0.00 -0.57 0.00 0.00 43.02 41.11 1pjw s PHE 69 CO 0.02 -0.54 2.00 0.28 -0.10 0.00 0.00 175.22 176.88 1pjw n VAL 70 N 4.57 2.18 -2.61 -0.44 0.31 0.42 -4.70 118.33 118.05 1pjw n VAL 70 Ca -0.17 -1.36 -0.42 0.00 -0.01 0.00 0.00 64.34 62.39 1pjw n VAL 70 Cb 0.50 -2.11 0.01 0.00 -0.91 0.00 0.00 33.84 31.34 1pjw n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pjw n ALA 71 N 4.65 5.67 -2.41 3.52 0.00 -1.26 -1.57 120.51 129.11 1pjw n ALA 71 Ca 0.42 -4.54 -0.11 0.00 0.00 0.00 0.00 53.44 49.20 1pjw n ALA 71 Cb 0.15 -2.53 -0.09 0.00 0.00 0.00 0.00 19.45 16.99 1pjw n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pjw s THR 72 N -2.16 0.01 -0.64 0.00 2.01 -1.26 -5.04 115.64 108.56 1pjw s THR 72 Ca 0.38 -1.85 0.24 0.00 0.31 0.00 0.00 61.69 60.77 1pjw s THR 72 Cb 0.11 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1pjw s THR 72 CO 0.00 -0.05 1.19 -1.54 -0.69 0.00 0.00 174.62 173.53 1pjw n SER 73 N -0.28 0.65 -0.27 3.53 3.41 -1.26 -4.05 113.62 115.35 1pjw n SER 73 Ca 0.00 -0.05 0.08 0.00 -0.26 0.00 0.00 58.87 58.65 1pjw n SER 73 Cb 0.65 0.46 0.15 0.00 -0.26 0.00 0.00 64.21 65.21 1pjw n SER 73 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pjw n SER 74 N -2.02 2.04 -0.04 4.04 7.64 -1.26 -4.68 113.62 119.34 1pjw n SER 74 Ca 0.03 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.64 1pjw n SER 74 Cb 0.43 -0.45 0.01 0.00 -1.01 0.00 0.00 64.21 63.20 1pjw n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pjw n ALA 75 N -1.25 2.50 0.39 -0.43 0.00 -1.26 -3.49 120.51 116.98 1pjw n ALA 75 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.60 1pjw n ALA 75 Cb 0.67 -1.00 0.16 0.00 0.00 0.00 0.00 19.45 19.27 1pjw n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pjw n ASN 76 N -0.44 2.67 -1.82 0.00 3.02 -1.26 -3.82 115.26 113.61 1pjw n ASN 76 Ca 0.01 -2.30 -0.05 0.00 -0.03 0.00 0.00 54.58 52.21 1pjw n ASN 76 Cb 0.02 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 38.67 1pjw n ASN 76 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1pjw n SER 77 N 0.28 0.71 -4.56 6.41 2.88 -1.23 -4.61 113.62 113.50 1pjw n SER 77 Ca 0.11 -1.43 -0.18 0.00 -1.33 0.00 0.00 58.87 56.04 1pjw n SER 77 Cb 0.56 0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 64.20 1pjw n SER 77 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1pjw s LYS 78 N -2.30 1.88 0.93 -1.46 -2.85 -1.26 -2.47 119.74 112.20 1pjw s LYS 78 Ca 0.05 0.31 -0.13 0.00 -1.00 0.00 0.00 55.97 55.20 1pjw s LYS 78 Cb 0.00 -4.85 0.15 0.00 -2.06 0.00 0.00 37.83 31.08 1pjw s LYS 78 CO 0.04 -4.11 1.17 0.14 0.10 0.00 0.00 175.35 172.68 1pjw s VAL 79 N 13.41 1.96 -0.20 1.79 -7.23 0.11 -4.67 120.40 125.57 1pjw s VAL 79 Ca 0.86 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 61.03 1pjw s VAL 79 Cb -0.11 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 34.03 1pjw s VAL 79 CO 0.06 0.00 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.49 1pjw s LEU 80 N -6.01 2.43 0.41 1.32 0.20 -1.26 -1.06 118.68 114.71 1pjw s LEU 80 Ca 0.66 -0.58 0.08 0.00 0.69 0.00 0.00 54.13 54.98 1pjw s LEU 80 Cb -0.12 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 1pjw s LEU 80 CO 0.53 -0.01 0.33 -0.69 -0.29 0.00 0.00 176.35 176.21 1pjw s VAL 81 N 1.35 2.58 -0.00 1.68 1.01 0.23 -4.91 120.40 122.35 1pjw s VAL 81 Ca 0.05 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.43 1pjw s VAL 81 Cb -0.14 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1pjw s VAL 81 CO -0.09 -0.00 0.36 -1.61 0.00 0.00 0.00 175.10 173.75 1pjw s GLU 82 N -4.07 0.76 0.01 2.72 2.02 -1.26 -0.74 118.70 118.15 1pjw s GLU 82 Ca 0.46 -0.21 -0.28 0.00 0.02 0.00 0.00 54.97 54.96 1pjw s GLU 82 Cb -0.01 0.34 0.07 0.00 0.10 0.00 0.00 34.13 34.63 1pjw s GLU 82 CO 0.27 -0.23 0.67 0.00 0.02 0.00 0.00 175.26 175.99 1pjw s MET 83 N -1.63 1.11 -0.69 1.61 0.23 -0.25 -0.75 119.30 118.92 1pjw s MET 83 Ca -0.11 0.02 0.03 0.00 -1.03 0.00 0.00 55.69 54.60 1pjw s MET 83 Cb -0.03 0.52 0.34 0.00 -1.53 0.00 0.00 34.83 34.12 1pjw s MET 83 CO 0.03 -0.40 1.21 -0.85 -2.03 0.00 0.00 175.02 172.98 1pjw n GLU 84 N 0.48 3.82 -1.27 3.16 0.28 0.51 -1.38 120.64 126.24 1pjw n GLU 84 Ca -0.18 -4.77 -0.29 0.00 -0.16 0.00 0.00 57.16 51.76 1pjw n GLU 84 Cb 0.60 -2.30 0.17 0.00 1.43 0.00 0.00 31.44 31.34 1pjw n GLU 84 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1pjw s PRO 85 N -3.72 0.51 0.84 3.44 0.04 -1.26 -4.39 135.00 130.46 1pjw s PRO 85 Ca 0.46 0.41 -0.11 0.00 0.04 0.00 0.00 61.00 61.80 1pjw s PRO 85 Cb 0.27 -1.76 0.10 0.00 0.04 0.00 0.00 34.50 33.15 1pjw s PRO 85 CO -0.15 -2.65 1.09 -1.25 0.04 0.00 0.00 177.00 174.08 1pjw s PRO 86 N -5.07 1.68 0.39 0.56 0.04 -1.26 -4.98 135.00 126.35 1pjw s PRO 86 Ca 0.65 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.37 1pjw s PRO 86 Cb -0.17 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1pjw s PRO 86 CO 0.56 -1.98 1.13 -0.59 0.04 0.00 0.00 177.00 176.16 1pjw s PHE 87 N -2.94 3.19 0.00 0.56 -0.12 -1.26 -4.83 117.98 112.58 1pjw s PHE 87 Ca 0.62 1.60 0.00 0.00 -0.05 0.00 0.00 56.93 59.10 1pjw s PHE 87 Cb -0.17 -3.30 0.00 0.00 -0.63 0.00 0.00 43.02 38.91 1pjw s PHE 87 CO 0.56 -1.03 0.00 0.41 -0.05 0.00 0.00 175.22 175.12 1pjw n GLY 88 N 0.62 0.33 3.86 1.99 0.00 -1.26 -5.03 105.19 105.70 1pjw n GLY 88 Ca 0.04 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 1pjw n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pjw s ASP 89 N -4.00 6.74 0.02 1.61 1.11 -1.26 -4.73 116.67 116.16 1pjw s ASP 89 Ca 0.00 1.02 0.04 0.00 0.18 0.00 0.00 52.55 53.79 1pjw s ASP 89 Cb 0.00 -2.26 -0.02 0.00 1.07 0.00 0.00 42.92 41.71 1pjw s ASP 89 CO 0.00 0.03 -0.13 -0.94 1.18 0.00 0.00 175.17 175.31 1pjw s SER 90 N -1.98 1.57 -0.47 0.27 1.04 -0.94 0.27 113.70 113.46 1pjw s SER 90 Ca 0.42 -0.37 -0.21 0.00 0.48 0.00 0.00 55.95 56.26 1pjw s SER 90 Cb -0.13 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.90 1pjw s SER 90 CO 0.20 0.07 0.69 -0.31 0.98 0.00 0.00 173.24 174.87 1pjw s TYR 91 N -0.66 3.02 -0.23 5.02 2.02 0.71 -2.15 117.35 125.08 1pjw s TYR 91 Ca 0.02 -0.16 -0.10 0.00 -0.37 0.00 0.00 57.07 56.47 1pjw s TYR 91 Cb -0.07 -3.51 -0.05 0.00 -0.40 0.00 0.00 41.96 37.94 1pjw s TYR 91 CO 0.01 -0.98 0.13 0.42 -1.57 0.00 0.00 175.55 173.56 1pjw s ILE 92 N 2.95 5.17 -0.17 2.71 1.09 -1.02 -2.51 121.20 129.42 1pjw s ILE 92 Ca 0.22 0.11 0.01 0.00 -1.10 0.00 0.00 60.65 59.89 1pjw s ILE 92 Cb -0.15 -3.39 0.03 0.00 -1.06 0.00 0.00 42.46 37.89 1pjw s ILE 92 CO 0.18 0.37 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.58 1pjw s VAL 93 N 0.94 1.57 -0.49 2.92 1.01 -0.98 -0.31 120.40 125.07 1pjw s VAL 93 Ca 0.07 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1pjw s VAL 93 Cb -0.13 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.74 1pjw s VAL 93 CO 0.03 0.31 0.57 -0.69 0.00 0.00 0.00 175.10 175.33 1pjw s VAL 94 N 1.46 4.95 -0.01 2.92 1.01 0.04 -2.28 120.40 128.49 1pjw s VAL 94 Ca 0.02 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1pjw s VAL 94 Cb -0.14 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1pjw s VAL 94 CO -0.09 -0.73 -0.08 -0.83 0.00 0.00 0.00 175.10 173.37 1pjw s GLY 95 N 2.58 0.39 0.00 4.51 0.00 -0.99 -2.57 107.32 111.24 1pjw s GLY 95 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1pjw s GLY 95 CO 0.11 -0.29 0.00 -0.13 0.00 0.00 0.00 173.10 172.79 1pjw n MET 96 N 2.87 2.35 0.00 2.90 1.56 -1.26 -4.43 117.12 121.11 1pjw n MET 96 Ca -0.13 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.30 1pjw n MET 96 Cb 0.57 -0.72 0.00 0.00 2.15 0.00 0.00 33.22 35.23 1pjw n MET 96 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1pjw n GLY 97 N 1.40 0.15 0.00 -5.12 0.00 -1.26 -5.03 105.19 95.33 1pjw n GLY 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pjw n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pjw n ASP 98 N 0.00 0.00 -3.73 1.61 9.92 -1.26 -4.99 116.55 118.10 1pjw n ASP 98 Ca 0.00 0.46 -0.12 0.00 -0.53 0.00 0.00 54.79 54.59 1pjw n ASP 98 Cb 0.00 -0.49 -0.11 0.00 -0.64 0.00 0.00 41.12 39.88 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pjw s LYS 99 N -0.98 0.41 -0.51 -1.24 1.02 -1.26 -5.11 119.74 112.07 1pjw s LYS 99 Ca 0.00 0.60 -0.29 0.00 0.02 0.00 0.00 55.97 56.30 1pjw s LYS 99 Cb 0.00 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.46 1pjw s LYS 99 CO 0.00 -0.09 1.25 -0.65 -0.92 0.00 0.00 175.35 174.94 1pjw s GLN 100 N 0.61 3.56 -0.42 1.68 1.11 -1.26 -4.59 119.66 120.35 1pjw s GLN 100 Ca -0.03 0.52 -0.18 0.00 0.01 0.00 0.00 55.36 55.67 1pjw s GLN 100 Cb -0.05 -4.00 0.02 0.00 -1.01 0.00 0.00 33.01 27.97 1pjw s GLN 100 CO -0.04 -1.60 0.51 0.42 0.01 0.00 0.00 175.29 174.59 1pjw s ILE 101 N 5.06 5.00 -0.17 1.08 1.01 -1.06 -4.91 121.20 127.21 1pjw s ILE 101 Ca 0.50 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.98 1pjw s ILE 101 Cb -0.09 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1pjw s ILE 101 CO 0.29 -0.44 0.01 0.54 0.00 0.00 0.00 174.94 175.34 1pjw s ASN 102 N 1.86 5.21 -0.03 3.58 2.20 -1.26 -0.78 114.94 125.72 1pjw s ASN 102 Ca 0.16 -0.02 0.02 0.00 -0.94 0.00 0.00 52.86 52.08 1pjw s ASN 102 Cb -0.16 -1.87 0.01 0.00 -2.00 0.00 0.00 41.25 37.23 1pjw s ASN 102 CO 0.15 0.17 -0.08 -1.00 -2.94 0.00 0.00 177.10 173.41 1pjw s HIS 103 N 0.35 0.88 0.31 1.54 3.76 0.57 -4.95 115.29 117.76 1pjw s HIS 103 Ca -0.01 -0.23 -0.28 0.00 -0.15 0.00 0.00 55.06 54.40 1pjw s HIS 103 Cb -0.13 -0.65 -0.10 0.00 1.11 0.00 0.00 32.58 32.81 1pjw s HIS 103 CO 0.02 -0.12 1.15 -1.01 -0.85 0.00 0.00 174.74 173.93 1pjw s HIS 104 N 0.33 3.38 -0.01 1.40 3.76 -1.26 -2.45 115.29 120.44 1pjw s HIS 104 Ca -0.05 1.62 0.02 0.00 -0.15 0.00 0.00 55.06 56.50 1pjw s HIS 104 Cb -0.09 -3.37 0.00 0.00 1.11 0.00 0.00 32.58 30.22 1pjw s HIS 104 CO 0.00 -0.93 -0.07 -1.58 -0.85 0.00 0.00 174.74 171.32 1pjw s TRP 105 N -1.22 0.69 -0.28 1.40 0.23 -0.91 -4.96 118.94 113.89 1pjw s TRP 105 Ca 0.48 -0.15 -0.18 0.00 -2.03 0.00 0.00 56.10 54.22 1pjw s TRP 105 Cb -0.33 -0.49 0.08 0.00 0.03 0.00 0.00 33.47 32.76 1pjw s TRP 105 CO 0.42 -0.05 0.69 -3.38 0.96 0.00 0.00 176.95 175.59 1pjw s HIS 106 N 0.07 -1.01 -0.99 -1.98 -3.43 -1.26 -2.22 115.29 104.47 1pjw s HIS 106 Ca -0.01 2.09 0.28 0.00 -0.80 0.00 0.00 55.06 56.63 1pjw s HIS 106 Cb -0.06 0.56 1.13 0.00 -1.43 0.00 0.00 32.58 32.79 1pjw s HIS 106 CO -0.00 -0.50 1.86 0.36 -2.00 0.00 0.00 174.74 174.46 1pjw n LYS 107 N 4.00 0.01 -3.40 -0.38 -0.00 -1.26 -4.66 118.16 112.46 1pjw n LYS 107 Ca -0.19 0.01 -0.42 0.00 -0.00 0.00 0.00 58.31 57.70 1pjw n LYS 107 Cb 0.58 -1.51 -0.09 0.00 -0.00 0.00 0.00 35.03 34.01 1pjw n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pjw s ALA 108 N -3.00 3.46 0.09 0.58 0.00 -1.26 -5.06 121.76 116.57 1pjw s ALA 108 Ca 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1pjw s ALA 108 Cb 0.19 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1pjw s ALA 108 CO 0.55 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1pjw n GLY 109 N 5.11 1.65 0.65 0.00 0.00 -1.26 -5.09 105.19 106.25 1pjw n GLY 109 Ca -0.09 -2.08 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 1pjw n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pjw n SER 110 N -2.64 1.31 0.00 1.61 7.64 -1.26 -5.25 113.62 115.03 1pjw n SER 110 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1pjw n SER 110 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1pjw n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38