#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 4.53 0.12 -0.67 2.20 -1.26 -5.00 119.74 119.65 1pjw s LYS 2 Ca 0.00 1.76 -0.27 0.00 -0.36 0.00 0.00 55.97 57.10 1pjw s LYS 2 Cb 0.00 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 32.96 1pjw s LYS 2 CO 0.00 -0.05 0.83 -0.48 -0.36 0.00 0.00 175.35 175.29 1pjw s LEU 3 N 0.04 4.53 -0.39 5.43 0.05 -1.26 -5.01 118.68 122.08 1pjw s LEU 3 Ca 0.53 1.65 -0.24 0.00 0.05 0.00 0.00 54.13 56.11 1pjw s LEU 3 Cb -0.30 -3.38 0.01 0.00 -2.05 0.00 0.00 46.19 40.48 1pjw s LEU 3 CO 0.34 0.07 0.85 0.00 -0.55 0.00 0.00 176.35 177.06 1pjw s ALA 4 N -0.50 3.39 -0.47 1.48 0.00 -1.26 -5.00 121.76 119.39 1pjw s ALA 4 Ca 0.40 -0.63 -0.08 0.00 0.00 0.00 0.00 51.96 51.64 1pjw s ALA 4 Cb -0.23 -3.46 0.12 0.00 0.00 0.00 0.00 23.12 19.55 1pjw s ALA 4 CO 0.27 -1.64 0.34 -1.17 0.00 0.00 0.00 175.76 173.56 1pjw s LEU 5 N 3.32 5.66 0.00 0.00 2.96 -1.26 -5.06 118.68 124.30 1pjw s LEU 5 Ca 0.34 -1.95 0.00 0.00 -0.22 0.00 0.00 54.13 52.30 1pjw s LEU 5 Cb -0.12 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1pjw s LEU 5 CO 0.19 -0.67 0.00 2.29 -1.32 0.00 0.00 176.35 176.84 1pjw n LYS 6 N 4.85 2.53 -2.92 1.98 2.85 -1.26 -5.03 118.16 121.15 1pjw n LYS 6 Ca -0.07 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.79 1pjw n LYS 6 Cb 0.41 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.79 1pjw n LYS 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pjw n GLY 7 N 5.00 5.49 3.38 2.58 0.00 -1.26 -5.00 105.19 115.38 1pjw n GLY 7 Ca 0.00 -2.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.07 1pjw n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pjw s THR 8 N -3.37 2.22 -0.08 2.61 2.01 -1.26 -5.13 115.64 112.64 1pjw s THR 8 Ca 0.35 -1.67 -0.00 0.00 0.31 0.00 0.00 61.69 60.68 1pjw s THR 8 Cb 0.12 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1pjw s THR 8 CO 0.01 0.15 -0.04 0.42 -0.69 0.00 0.00 174.62 174.47 1pjw s THR 9 N -1.00 3.97 0.38 -0.82 -4.23 -1.26 -5.12 115.64 107.56 1pjw s THR 9 Ca 0.13 -0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.30 1pjw s THR 9 Cb -0.10 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 1pjw s THR 9 CO 0.05 0.60 0.15 -0.72 -0.54 0.00 0.00 174.62 174.16 1pjw s TYR 10 N -0.84 1.76 -0.70 3.99 -0.85 -1.26 -5.08 117.35 114.37 1pjw s TYR 10 Ca 0.13 -1.32 -0.27 0.00 -0.52 0.00 0.00 57.07 55.09 1pjw s TYR 10 Cb -0.11 -1.08 0.03 0.00 0.38 0.00 0.00 41.96 41.19 1pjw s TYR 10 CO 0.02 -0.38 1.24 0.20 -1.52 0.00 0.00 175.55 175.11 1pjw s GLY 11 N -3.55 0.96 -0.36 5.49 0.00 -1.26 -4.97 107.32 103.64 1pjw s GLY 11 Ca 0.28 -1.29 -0.03 0.00 0.00 0.00 0.00 44.72 43.68 1pjw s GLY 11 CO 0.16 2.58 0.12 -3.16 0.00 0.00 0.00 173.10 172.80 1pjw s MET 12 N 5.47 2.25 -0.24 2.90 0.23 -1.26 -3.05 119.30 125.59 1pjw s MET 12 Ca 0.36 -1.52 -0.02 0.00 -1.03 0.00 0.00 55.69 53.47 1pjw s MET 12 Cb -0.08 -3.43 0.12 0.00 -1.53 0.00 0.00 34.83 29.91 1pjw s MET 12 CO 0.17 -0.85 0.31 0.00 -2.03 0.00 0.00 175.02 172.62 1pjw n THR 14 N 5.34 0.00 0.36 0.00 -1.04 -1.24 -4.40 114.28 113.30 1pjw n THR 14 Ca -0.04 -1.06 0.04 0.00 -2.04 0.00 0.00 64.05 60.95 1pjw n THR 14 Cb 0.49 0.98 0.19 0.00 -1.82 0.00 0.00 70.33 70.17 1pjw n THR 14 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1pjw n GLU 15 N -1.30 0.10 -1.59 -2.82 0.28 -1.26 -3.81 120.64 110.24 1pjw n GLU 15 Ca -0.14 0.22 -0.40 0.00 -0.16 0.00 0.00 57.16 56.68 1pjw n GLU 15 Cb 0.86 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.21 1pjw n GLU 15 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1pjw n LYS 16 N -1.30 3.90 -3.98 3.44 4.76 -1.26 -4.84 118.16 118.89 1pjw n LYS 16 Ca 0.04 -2.66 -0.35 0.00 -2.87 0.00 0.00 58.31 52.46 1pjw n LYS 16 Cb 0.06 -2.79 -0.06 0.00 -1.84 0.00 0.00 35.03 30.40 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 1.18 3.49 -0.36 2.13 0.40 -1.25 -2.55 117.98 121.03 1pjw s PHE 17 Ca 0.62 0.40 0.01 0.00 -0.60 0.00 0.00 56.93 57.36 1pjw s PHE 17 Cb 0.17 -1.86 0.11 0.00 0.51 0.00 0.00 43.02 41.95 1pjw s PHE 17 CO -0.07 0.66 0.12 0.45 0.70 0.00 0.00 175.22 177.07 1pjw s SER 18 N -1.36 4.21 -0.05 1.36 0.15 -0.45 -4.92 113.70 112.64 1pjw s SER 18 Ca 0.19 -2.06 -0.30 0.00 0.70 0.00 0.00 55.95 54.49 1pjw s SER 18 Cb -0.12 -1.18 -0.07 0.00 -1.71 0.00 0.00 66.02 62.94 1pjw s SER 18 CO 0.09 -0.37 1.88 0.72 1.20 0.00 0.00 173.24 176.77 1pjw s PHE 19 N 1.05 1.53 -0.06 3.44 -0.12 -1.26 -0.80 117.98 121.76 1pjw s PHE 19 Ca 0.12 -0.05 0.19 0.00 -0.05 0.00 0.00 56.93 57.14 1pjw s PHE 19 Cb -0.20 -4.09 -0.28 0.00 -0.63 0.00 0.00 43.02 37.82 1pjw s PHE 19 CO -0.14 -4.64 0.34 0.00 -0.05 0.00 0.00 175.22 170.73 1pjw n ALA 20 N 8.11 2.44 -2.88 1.99 0.00 0.60 -4.94 120.51 125.83 1pjw n ALA 20 Ca 0.20 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1pjw n ALA 20 Cb 0.42 -0.54 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 1pjw n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pjw s LYS 21 N -3.13 0.33 0.88 0.00 1.02 -1.14 -5.01 119.74 112.70 1pjw s LYS 21 Ca -0.08 -0.44 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 1pjw s LYS 21 Cb 0.11 -0.13 0.12 0.00 -0.52 0.00 0.00 37.83 37.41 1pjw s LYS 21 CO 0.79 0.02 1.10 0.54 -0.92 0.00 0.00 175.35 176.88 1pjw s ASN 22 N -0.93 3.45 -0.26 2.83 2.20 -1.26 -4.06 114.94 116.90 1pjw s ASN 22 Ca -0.07 1.76 -0.29 0.00 -0.94 0.00 0.00 52.86 53.32 1pjw s ASN 22 Cb -0.06 -2.39 -0.01 0.00 -2.00 0.00 0.00 41.25 36.78 1pjw s ASN 22 CO -0.00 -2.70 1.50 -2.16 -2.94 0.00 0.00 177.10 170.80 1pjw s PRO 23 N -4.82 3.81 -0.09 3.55 0.04 -1.26 -4.69 135.00 131.54 1pjw s PRO 23 Ca 0.64 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 1pjw s PRO 23 Cb -0.19 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 1pjw s PRO 23 CO 0.58 -1.27 0.04 0.00 0.04 0.00 0.00 177.00 176.39 1pjw s ALA 24 N 4.98 3.45 -0.42 8.56 0.00 -1.08 -4.83 121.76 132.41 1pjw s ALA 24 Ca 0.66 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.64 1pjw s ALA 24 Cb -0.21 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1pjw s ALA 24 CO 0.27 0.60 0.68 0.34 0.00 0.00 0.00 175.76 177.66 1pjw s ASP 25 N -0.94 6.38 -1.32 0.00 -1.08 -1.26 0.04 116.67 118.49 1pjw s ASP 25 Ca 0.14 -0.14 -0.07 0.00 -0.52 0.00 0.00 52.55 51.96 1pjw s ASP 25 Cb -0.12 -2.34 0.03 0.00 -1.46 0.00 0.00 42.92 39.04 1pjw s ASP 25 CO 0.03 -0.77 2.65 0.35 0.52 0.00 0.00 175.17 177.95 1pjw n THR 26 N 5.87 4.75 0.00 1.71 -2.24 0.17 -4.85 114.28 119.68 1pjw n THR 26 Ca -0.00 -3.56 0.00 0.00 -2.27 0.00 0.00 64.05 58.21 1pjw n THR 26 Cb 0.48 -2.22 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 1pjw n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pjw n GLY 27 N 2.31 0.31 2.64 3.38 0.00 -1.26 -4.81 105.19 107.76 1pjw n GLY 27 Ca 0.66 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1pjw n GLY 27 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pjw s HIS 28 N 0.00 1.65 0.00 1.61 -3.43 -1.26 -4.78 115.29 109.08 1pjw s HIS 28 Ca 0.00 -2.23 0.00 0.00 -0.80 0.00 0.00 55.06 52.03 1pjw s HIS 28 Cb 0.00 -1.61 0.00 0.00 -1.43 0.00 0.00 32.58 29.54 1pjw s HIS 28 CO 0.00 -0.79 0.00 0.41 -2.00 0.00 0.00 174.74 172.36 1pjw n GLY 29 N 3.60 1.90 3.06 -1.38 0.00 -1.26 -5.11 105.19 106.00 1pjw n GLY 29 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 -0.77 0.06 2.61 -4.23 -1.26 -4.62 115.64 105.42 1pjw s THR 30 Ca 0.00 -0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 1pjw s THR 30 Cb 0.00 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1pjw s THR 30 CO 0.00 -0.06 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.31 1pjw s VAL 31 N 2.68 3.93 -0.16 2.29 1.01 0.51 0.44 120.40 131.10 1pjw s VAL 31 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1pjw s VAL 31 Cb -0.15 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1pjw s VAL 31 CO -0.18 0.22 -0.12 -0.69 0.00 0.00 0.00 175.10 174.33 1pjw s VAL 32 N -1.20 1.54 0.11 2.92 1.01 0.11 -1.57 120.40 123.31 1pjw s VAL 32 Ca 0.23 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1pjw s VAL 32 Cb -0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1pjw s VAL 32 CO 0.14 0.36 -0.18 -0.51 0.00 0.00 0.00 175.10 174.92 1pjw s ILE 33 N 1.48 2.87 -0.28 2.22 1.10 0.46 -2.65 121.20 126.41 1pjw s ILE 33 Ca 0.03 -1.46 0.01 0.00 -0.51 0.00 0.00 60.65 58.72 1pjw s ILE 33 Cb -0.14 -2.31 0.08 0.00 0.15 0.00 0.00 42.46 40.24 1pjw s ILE 33 CO -0.10 0.12 0.02 -0.70 -2.11 0.00 0.00 174.94 172.17 1pjw s GLU 34 N -2.08 1.27 0.04 3.50 -6.30 -1.26 -0.34 118.70 113.54 1pjw s GLU 34 Ca 0.18 -1.18 0.08 0.00 -2.50 0.00 0.00 54.97 51.54 1pjw s GLU 34 Cb -0.11 -2.53 -0.03 0.00 0.00 0.00 0.00 34.13 31.47 1pjw s GLU 34 CO 0.10 -0.79 -0.22 -0.51 0.02 0.00 0.00 175.26 173.86 1pjw s LEU 35 N 1.37 2.16 -0.11 2.70 1.02 -0.30 -0.29 118.68 125.23 1pjw s LEU 35 Ca 0.03 -0.53 -0.14 0.00 0.02 0.00 0.00 54.13 53.51 1pjw s LEU 35 Cb -0.18 -1.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.94 1pjw s LEU 35 CO -0.12 0.18 0.33 -0.94 0.02 0.00 0.00 176.35 175.82 1pjw s SER 36 N -1.15 6.56 -0.67 2.29 1.04 0.02 0.23 113.70 122.02 1pjw s SER 36 Ca 0.08 0.66 -0.19 0.00 0.48 0.00 0.00 55.95 56.98 1pjw s SER 36 Cb -0.09 -2.20 0.12 0.00 0.10 0.00 0.00 66.02 63.94 1pjw s SER 36 CO 0.02 0.17 0.79 -0.47 0.98 0.00 0.00 173.24 174.73 1pjw s TYR 37 N -0.04 3.07 -1.17 5.02 5.04 -1.00 -1.33 117.35 126.94 1pjw s TYR 37 Ca 0.19 -1.10 -0.06 0.00 -2.44 0.00 0.00 57.07 53.66 1pjw s TYR 37 Cb -0.14 -4.06 0.25 0.00 0.35 0.00 0.00 41.96 38.36 1pjw s TYR 37 CO 0.07 -1.32 1.66 -1.13 -1.34 0.00 0.00 175.55 173.49 1pjw n SER 38 N 6.23 5.85 -4.16 4.32 3.41 -1.06 -4.08 113.62 124.14 1pjw n SER 38 Ca -0.02 -3.29 -0.30 0.00 -0.26 0.00 0.00 58.87 55.01 1pjw n SER 38 Cb 0.44 -1.36 -0.17 0.00 -0.26 0.00 0.00 64.21 62.86 1pjw n SER 38 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pjw s GLY 39 N -0.65 1.19 -0.22 5.00 0.00 -1.26 -4.92 107.32 106.46 1pjw s GLY 39 Ca 0.35 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.29 1pjw s GLY 39 CO 0.06 -0.17 1.44 -1.14 0.00 0.00 0.00 173.10 173.30 1pjw n SER 40 N 3.67 3.79 -0.77 1.64 3.41 -1.26 -4.00 113.62 120.10 1pjw n SER 40 Ca -0.20 -2.81 0.12 0.00 -0.26 0.00 0.00 58.87 55.72 1pjw n SER 40 Cb 0.52 -0.67 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1pjw n SER 40 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1pjw n ASP 41 N -0.06 2.52 0.00 4.04 5.68 -1.26 -5.07 116.55 122.40 1pjw n ASP 41 Ca 0.28 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 1pjw n ASP 41 Cb 1.05 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 41.15 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pjw n GLY 42 N 1.35 -1.75 3.80 6.12 0.00 -1.26 -4.96 105.19 108.49 1pjw n GLY 42 Ca 0.13 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 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 3.37 -0.06 1.61 0.04 -1.26 -4.97 135.00 133.74 1pjw s PRO 43 Ca 0.00 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 1pjw s PRO 43 Cb 0.00 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1pjw s PRO 43 CO 0.00 -0.78 1.02 0.00 0.04 0.00 0.00 177.00 177.28 1pjw s LYS 45 N -2.86 4.56 -0.48 0.00 -0.14 -1.17 0.13 119.74 119.78 1pjw s LYS 45 Ca 0.08 1.68 -0.22 0.00 -1.36 0.00 0.00 55.97 56.14 1pjw s LYS 45 Cb -0.01 -3.32 0.03 0.00 -1.68 0.00 0.00 37.83 32.86 1pjw s LYS 45 CO -0.06 0.00 0.78 0.42 -0.76 0.00 0.00 175.35 175.73 1pjw s ILE 46 N 0.19 4.65 -0.67 2.17 1.01 0.29 -2.22 121.20 126.61 1pjw s ILE 46 Ca 0.51 0.22 -0.27 0.00 0.00 0.00 0.00 60.65 61.12 1pjw s ILE 46 Cb -0.28 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1pjw s ILE 46 CO 0.32 -0.80 1.59 -2.16 0.00 0.00 0.00 174.94 173.89 1pjw s PRO 47 N 3.28 2.88 0.10 2.79 0.04 -1.26 -4.33 135.00 138.50 1pjw s PRO 47 Ca 0.27 0.22 0.07 0.00 0.04 0.00 0.00 61.00 61.60 1pjw s PRO 47 Cb -0.13 -4.29 -0.03 0.00 0.04 0.00 0.00 34.50 30.08 1pjw s PRO 47 CO 0.20 -2.47 -0.19 0.42 0.04 0.00 0.00 177.00 175.00 1pjw s ILE 48 N 7.55 1.56 -0.06 0.56 1.01 -1.26 -1.61 121.20 128.94 1pjw s ILE 48 Ca 0.52 -1.51 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1pjw s ILE 48 Cb -0.10 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1pjw s ILE 48 CO 0.18 -0.12 -0.13 0.54 0.00 0.00 0.00 174.94 175.41 1pjw s VAL 49 N -1.25 1.19 -0.33 2.92 0.11 -0.86 -4.98 120.40 117.20 1pjw s VAL 49 Ca 0.05 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1pjw s VAL 49 Cb -0.10 -1.08 0.07 0.00 -1.53 0.00 0.00 36.38 33.75 1pjw s VAL 49 CO 0.04 0.37 0.05 -0.55 -3.33 0.00 0.00 175.10 171.67 1pjw s SER 50 N 0.60 4.93 0.18 3.54 0.15 -1.26 -2.11 113.70 119.73 1pjw s SER 50 Ca -0.14 -1.56 0.03 0.00 0.70 0.00 0.00 55.95 54.98 1pjw s SER 50 Cb -0.16 -1.72 -0.05 0.00 -1.71 0.00 0.00 66.02 62.39 1pjw s SER 50 CO 0.04 -0.34 -0.04 -0.69 1.20 0.00 0.00 173.24 173.42 1pjw s VAL 51 N 1.17 0.94 1.04 4.45 1.01 -1.03 0.23 120.40 128.22 1pjw s VAL 51 Ca -0.00 -2.02 -0.13 0.00 0.00 0.00 0.00 61.98 59.82 1pjw s VAL 51 Cb -0.20 -2.07 0.15 0.00 0.00 0.00 0.00 36.38 34.25 1pjw s VAL 51 CO -0.03 -0.54 0.67 0.00 0.00 0.00 0.00 175.10 175.20 1pjw n ALA 52 N -0.27 -2.57 -1.67 5.51 0.00 -1.26 0.21 120.51 120.46 1pjw n ALA 52 Ca -0.08 -0.90 -0.44 0.00 0.00 0.00 0.00 53.44 52.03 1pjw n ALA 52 Cb 0.62 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1pjw n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pjw n SER 53 N -3.11 3.94 0.00 0.00 2.88 0.72 -1.73 113.62 116.33 1pjw n SER 53 Ca 0.06 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1pjw n SER 53 Cb 0.55 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1pjw n SER 53 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1pjw n LEU 54 N 6.53 -0.90 -3.60 2.46 7.94 -1.26 -4.85 117.00 123.33 1pjw n LEU 54 Ca 0.20 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.81 1pjw n LEU 54 Cb 0.37 -0.47 -0.12 0.00 0.53 0.00 0.00 43.42 43.73 1pjw n LEU 54 CO 0.68 0.00 -0.24 0.20 -1.11 0.00 0.00 177.39 176.92 1pjw s ASN 55 N -2.94 2.96 -0.16 1.96 -0.87 -0.70 -4.92 114.94 110.26 1pjw s ASN 55 Ca 0.00 -2.97 0.16 0.00 -1.57 0.00 0.00 52.86 48.47 1pjw s ASN 55 Cb 0.00 -0.84 0.61 0.00 -0.02 0.00 0.00 41.25 41.00 1pjw s ASN 55 CO 0.00 -0.20 1.52 0.47 -2.57 0.00 0.00 177.10 176.32 1pjw n ASP 56 N 3.04 4.39 0.00 -1.22 8.00 -1.26 -4.37 116.55 125.13 1pjw n ASP 56 Ca 0.19 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.89 1pjw n ASP 56 Cb 0.40 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1pjw n ASP 56 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1pjw n MET 57 N 0.13 4.61 -4.11 -1.24 2.81 -1.26 -5.05 117.12 113.01 1pjw n MET 57 Ca 0.23 -0.04 -0.14 0.00 -1.81 0.00 0.00 57.70 55.93 1pjw n MET 57 Cb 0.92 -0.43 -0.13 0.00 -0.71 0.00 0.00 33.22 32.87 1pjw n MET 57 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1pjw s THR 58 N -0.67 0.44 -0.03 2.03 2.01 -1.26 -5.12 115.64 113.04 1pjw s THR 58 Ca 0.00 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1pjw s THR 58 Cb 0.00 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1pjw s THR 58 CO 0.00 -0.10 1.23 -2.16 -0.69 0.00 0.00 174.62 172.90 1pjw s PRO 59 N -0.74 4.35 0.00 4.92 0.04 -1.26 -4.79 135.00 137.51 1pjw s PRO 59 Ca -0.03 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1pjw s PRO 59 Cb -0.05 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1pjw s PRO 59 CO 0.00 -0.45 0.00 0.28 0.04 0.00 0.00 177.00 176.87 1pjw n VAL 60 N 4.54 0.00 -1.84 -0.36 0.31 -1.24 -5.01 118.33 114.72 1pjw n VAL 60 Ca 0.11 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.13 1pjw n VAL 60 Cb 0.46 -0.03 0.03 0.00 -0.91 0.00 0.00 33.84 33.39 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 -2.30 1.65 0.20 2.92 0.00 0.64 -4.54 107.32 105.89 1pjw s GLY 61 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.65 1pjw s GLY 61 CO 0.00 0.15 -0.19 0.50 0.00 0.00 0.00 173.10 173.56 1pjw s ARG 62 N -5.23 1.40 -0.14 2.90 1.81 -1.21 -4.77 118.95 113.71 1pjw s ARG 62 Ca 0.56 -1.53 -0.04 0.00 -1.72 0.00 0.00 55.73 53.00 1pjw s ARG 62 Cb -0.11 -1.45 -0.03 0.00 -0.45 0.00 0.00 34.95 32.91 1pjw s ARG 62 CO 0.53 0.28 -0.00 -0.51 -0.68 0.00 0.00 175.30 174.92 1pjw s LEU 63 N -2.95 3.48 0.46 2.53 1.43 -1.26 -0.12 118.68 122.24 1pjw s LEU 63 Ca 0.20 -0.00 0.31 0.00 -1.03 0.00 0.00 54.13 53.62 1pjw s LEU 63 Cb -0.05 -1.84 1.56 0.00 0.03 0.00 0.00 46.19 45.89 1pjw s LEU 63 CO 0.09 0.23 1.95 0.58 0.23 0.00 0.00 176.35 179.42 1pjw h VAL 64 N 4.80 0.00 -3.97 -1.59 2.07 -1.67 -3.43 116.25 112.47 1pjw h VAL 64 Ca -0.38 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 1pjw h VAL 64 Cb 1.18 0.91 -0.12 0.00 -1.52 0.00 0.00 31.29 31.75 1pjw h VAL 64 CO 0.62 0.00 -0.33 0.28 0.02 0.00 0.00 177.57 178.17 1pjw s THR 65 N -3.71 0.04 1.00 2.57 -1.32 -1.26 -5.00 115.64 107.96 1pjw s THR 65 Ca -0.01 -1.52 -0.18 0.00 -1.21 0.00 0.00 61.69 58.76 1pjw s THR 65 Cb 0.09 -2.07 0.03 0.00 -1.51 0.00 0.00 72.50 69.05 1pjw s THR 65 CO 0.36 -0.17 -0.33 0.52 -2.21 0.00 0.00 174.62 172.79 1pjw n VAL 66 N -0.27 0.00 -1.54 5.08 0.31 -1.26 -4.71 118.33 115.95 1pjw n VAL 66 Ca -0.04 -0.12 -0.47 0.00 -0.01 0.00 0.00 64.34 63.70 1pjw n VAL 66 Cb 0.63 -0.36 -0.03 0.00 -0.91 0.00 0.00 33.84 33.18 1pjw n VAL 66 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1pjw n ASN 67 N 0.22 0.62 -4.57 4.52 0.23 -1.26 -4.81 115.26 110.23 1pjw n ASN 67 Ca 0.01 1.16 -0.41 0.00 -0.53 0.00 0.00 54.58 54.81 1pjw n ASN 67 Cb 0.53 -1.17 -0.03 0.00 -2.08 0.00 0.00 39.78 37.03 1pjw n ASN 67 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1pjw s PRO 68 N -1.07 3.06 -0.10 -0.53 0.04 -1.26 -4.92 135.00 130.23 1pjw s PRO 68 Ca 0.65 0.48 0.01 0.00 0.04 0.00 0.00 61.00 62.18 1pjw s PRO 68 Cb -0.82 -4.23 -0.02 0.00 0.04 0.00 0.00 34.50 29.48 1pjw s PRO 68 CO 0.57 -2.23 -0.13 -0.59 0.04 0.00 0.00 177.00 174.66 1pjw s PHE 69 N 7.08 2.78 -1.40 0.56 -0.12 -1.26 0.10 117.98 125.73 1pjw s PHE 69 Ca 0.57 -0.43 -0.07 0.00 -0.05 0.00 0.00 56.93 56.95 1pjw s PHE 69 Cb -0.12 -1.76 0.07 0.00 -0.63 0.00 0.00 43.02 40.58 1pjw s PHE 69 CO 0.23 -0.04 2.51 0.28 -0.05 0.00 0.00 175.22 178.15 1pjw n VAL 70 N 3.03 4.98 -1.71 -2.49 0.31 0.35 -4.78 118.33 118.02 1pjw n VAL 70 Ca -0.18 -3.89 -0.35 0.00 -0.01 0.00 0.00 64.34 59.91 1pjw n VAL 70 Cb 0.53 -2.22 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 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 2.29 6.85 -2.47 3.52 0.00 -1.26 -1.97 120.51 127.47 1pjw n ALA 71 Ca 0.66 -3.64 -0.11 0.00 0.00 0.00 0.00 53.44 50.35 1pjw n ALA 71 Cb 0.25 -2.73 -0.09 0.00 0.00 0.00 0.00 19.45 16.89 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 -0.66 0.02 -1.53 0.00 2.01 -1.26 -5.03 115.64 109.19 1pjw s THR 72 Ca 0.59 -1.80 0.23 0.00 0.31 0.00 0.00 61.69 61.02 1pjw s THR 72 Cb 0.23 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1pjw s THR 72 CO -0.11 -0.08 1.16 -1.54 -0.69 0.00 0.00 174.62 173.36 1pjw n SER 73 N -0.27 1.32 -0.02 3.53 3.41 -1.26 -4.13 113.62 116.19 1pjw n SER 73 Ca -0.01 -1.07 0.02 0.00 -0.26 0.00 0.00 58.87 57.56 1pjw n SER 73 Cb 0.64 0.55 0.03 0.00 -0.26 0.00 0.00 64.21 65.18 1pjw n SER 73 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1pjw n SER 74 N -0.79 1.97 0.00 4.04 2.88 -1.26 -4.64 113.62 115.82 1pjw n SER 74 Ca 0.08 -2.23 0.04 0.00 -1.33 0.00 0.00 58.87 55.43 1pjw n SER 74 Cb 0.39 -0.11 0.26 0.00 -0.75 0.00 0.00 64.21 64.00 1pjw n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pjw n ALA 75 N -0.70 2.41 0.60 -1.46 0.00 -1.26 -3.37 120.51 116.73 1pjw n ALA 75 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1pjw n ALA 75 Cb 0.36 -1.14 0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.66 2.05 -2.65 0.00 3.02 -1.26 -3.73 115.26 112.04 1pjw n ASN 76 Ca 0.07 -2.21 -0.08 0.00 -0.03 0.00 0.00 54.58 52.32 1pjw n ASN 76 Cb 0.03 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 1pjw n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1pjw n SER 77 N 0.14 2.23 -4.56 6.41 7.64 -1.22 -4.45 113.62 119.81 1pjw n SER 77 Ca 0.06 -1.59 -0.18 0.00 1.01 0.00 0.00 58.87 58.18 1pjw n SER 77 Cb 0.46 0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 1pjw n SER 77 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1pjw s LYS 78 N -2.48 1.82 0.93 1.43 1.02 -1.26 -2.37 119.74 118.84 1pjw s LYS 78 Ca 0.01 0.06 -0.14 0.00 0.02 0.00 0.00 55.97 55.92 1pjw s LYS 78 Cb 0.00 -4.91 0.16 0.00 -0.52 0.00 0.00 37.83 32.56 1pjw s LYS 78 CO 0.00 -4.32 1.19 0.14 -0.92 0.00 0.00 175.35 171.45 1pjw s VAL 79 N 13.75 1.95 -0.04 3.17 -7.23 0.14 -4.75 120.40 127.39 1pjw s VAL 79 Ca 0.84 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 61.02 1pjw s VAL 79 Cb -0.09 -2.85 0.02 0.00 0.56 0.00 0.00 36.38 34.02 1pjw s VAL 79 CO 0.07 0.00 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.59 1pjw s LEU 80 N -5.99 1.41 0.38 1.32 0.20 -1.26 -1.15 118.68 113.59 1pjw s LEU 80 Ca 0.67 -0.14 0.08 0.00 0.69 0.00 0.00 54.13 55.42 1pjw s LEU 80 Cb -0.10 -0.48 -0.07 0.00 -0.43 0.00 0.00 46.19 45.10 1pjw s LEU 80 CO 0.52 -0.04 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.83 1pjw s VAL 81 N 0.82 2.04 0.05 1.68 1.01 0.54 -4.95 120.40 121.58 1pjw s VAL 81 Ca -0.12 -2.07 0.04 0.00 0.00 0.00 0.00 61.98 59.83 1pjw s VAL 81 Cb -0.14 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1pjw s VAL 81 CO 0.01 -0.07 -0.11 -1.61 0.00 0.00 0.00 175.10 173.31 1pjw s GLU 82 N -3.68 0.70 -0.06 2.72 2.02 -1.26 -0.40 118.70 118.73 1pjw s GLU 82 Ca 0.34 -0.76 -0.09 0.00 0.02 0.00 0.00 54.97 54.48 1pjw s GLU 82 Cb 0.07 -0.62 0.02 0.00 0.10 0.00 0.00 34.13 33.70 1pjw s GLU 82 CO 0.17 0.14 0.24 -1.64 0.02 0.00 0.00 175.26 174.19 1pjw s MET 83 N -1.38 0.38 -0.68 1.61 -1.94 -0.61 -1.98 119.30 114.70 1pjw s MET 83 Ca -0.04 0.13 0.05 0.00 -1.71 0.00 0.00 55.69 54.13 1pjw s MET 83 Cb -0.09 0.17 0.27 0.00 2.01 0.00 0.00 34.83 37.19 1pjw s MET 83 CO 0.01 -0.07 0.86 -0.85 -0.01 0.00 0.00 175.02 174.96 1pjw n GLU 84 N 2.45 2.85 -1.49 2.03 0.28 0.83 -0.36 120.64 127.21 1pjw n GLU 84 Ca -0.16 -4.69 -0.31 0.00 -0.16 0.00 0.00 57.16 51.84 1pjw n GLU 84 Cb 0.57 -2.28 0.07 0.00 1.43 0.00 0.00 31.44 31.23 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 -2.67 2.53 0.43 3.44 0.04 -1.25 -3.29 135.00 134.23 1pjw s PRO 85 Ca 0.40 0.91 -0.23 0.00 0.04 0.00 0.00 61.00 62.12 1pjw s PRO 85 Cb 0.16 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1pjw s PRO 85 CO -0.02 -1.38 1.08 -1.25 0.04 0.00 0.00 177.00 175.48 1pjw s PRO 86 N -5.04 3.98 0.23 0.56 0.04 -1.26 -4.87 135.00 128.63 1pjw s PRO 86 Ca 0.59 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.90 1pjw s PRO 86 Cb -0.15 -2.43 -0.14 0.00 0.04 0.00 0.00 34.50 31.82 1pjw s PRO 86 CO 0.55 -0.32 1.31 1.19 0.04 0.00 0.00 177.00 179.78 1pjw n PHE 87 N -0.33 1.87 0.00 0.56 3.72 -1.26 -4.78 117.46 117.23 1pjw n PHE 87 Ca 0.06 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.99 1pjw n PHE 87 Cb 0.50 -2.40 0.00 0.00 -0.94 0.00 0.00 39.48 36.64 1pjw n PHE 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pjw n GLY 88 N 2.01 3.07 3.75 1.37 0.00 -1.26 -5.04 105.19 109.09 1pjw n GLY 88 Ca 0.12 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 6.47 0.03 1.61 1.01 -1.26 -4.79 116.67 119.74 1pjw s ASP 89 Ca 0.00 2.86 0.04 0.00 0.71 0.00 0.00 52.55 56.16 1pjw s ASP 89 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1pjw s ASP 89 CO 0.00 -0.84 -0.11 -0.44 0.21 0.00 0.00 175.17 173.99 1pjw s SER 90 N 0.40 1.31 -0.36 0.27 0.01 -0.97 0.26 113.70 114.62 1pjw s SER 90 Ca 0.61 -0.40 -0.13 0.00 1.31 0.00 0.00 55.95 57.34 1pjw s SER 90 Cb -0.46 -0.07 -0.00 0.00 0.21 0.00 0.00 66.02 65.70 1pjw s SER 90 CO 0.47 -0.00 0.25 -0.31 0.41 0.00 0.00 173.24 174.06 1pjw s TYR 91 N -0.80 3.23 -0.15 2.43 1.51 0.56 -0.32 117.35 123.81 1pjw s TYR 91 Ca -0.00 -0.43 -0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1pjw s TYR 91 Cb -0.07 -2.50 -0.03 0.00 -0.11 0.00 0.00 41.96 39.25 1pjw s TYR 91 CO 0.01 -0.47 -0.04 0.42 -1.11 0.00 0.00 175.55 174.36 1pjw s ILE 92 N 1.68 3.90 -0.16 2.71 1.09 -0.99 -2.46 121.20 126.97 1pjw s ILE 92 Ca 0.05 -0.36 0.00 0.00 -1.10 0.00 0.00 60.65 59.24 1pjw s ILE 92 Cb -0.18 -2.70 0.03 0.00 -1.06 0.00 0.00 42.46 38.55 1pjw s ILE 92 CO 0.10 0.51 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.62 1pjw s VAL 93 N 0.22 1.54 -0.70 2.92 1.01 -0.90 -0.28 120.40 124.21 1pjw s VAL 93 Ca -0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 1pjw s VAL 93 Cb -0.14 -1.49 0.18 0.00 0.00 0.00 0.00 36.38 34.93 1pjw s VAL 93 CO 0.03 0.39 0.63 -0.69 0.00 0.00 0.00 175.10 175.46 1pjw s VAL 94 N 1.49 5.25 0.27 2.92 1.01 0.38 -2.03 120.40 129.69 1pjw s VAL 94 Ca 0.04 -2.17 -0.17 0.00 0.00 0.00 0.00 61.98 59.68 1pjw s VAL 94 Cb -0.13 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.95 1pjw s VAL 94 CO -0.10 -0.95 0.61 -0.83 0.00 0.00 0.00 175.10 173.83 1pjw s GLY 95 N 2.52 0.25 -0.07 4.51 0.00 -0.64 -2.58 107.32 111.31 1pjw s GLY 95 Ca 0.13 -0.61 0.07 0.00 0.00 0.00 0.00 44.72 44.31 1pjw s GLY 95 CO -0.04 -0.36 0.05 1.15 0.00 0.00 0.00 173.10 173.90 1pjw n MET 96 N -0.43 2.30 0.00 2.90 0.00 -1.26 -4.36 117.12 116.26 1pjw n MET 96 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.65 1pjw n MET 96 Cb 0.60 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.62 1pjw n MET 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pjw n GLY 97 N 2.43 -1.07 0.00 3.17 0.00 -1.26 -5.08 105.19 103.38 1pjw n GLY 97 Ca -0.11 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1pjw n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pjw n ASP 98 N 0.00 0.00 -4.70 1.61 2.03 -1.26 -4.75 116.55 109.48 1pjw n ASP 98 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1pjw n ASP 98 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1pjw s LYS 99 N 0.00 4.49 0.04 -0.67 2.47 -1.26 -5.04 119.74 119.78 1pjw s LYS 99 Ca 0.00 1.43 0.02 0.00 -1.56 0.00 0.00 55.97 55.86 1pjw s LYS 99 Cb 0.00 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.85 1pjw s LYS 99 CO 0.00 -0.18 -0.08 1.14 0.16 0.00 0.00 175.35 176.39 1pjw s GLN 100 N 1.46 0.53 0.05 4.03 1.03 -1.26 -4.48 119.66 121.01 1pjw s GLN 100 Ca 0.51 -0.76 0.01 0.00 0.04 0.00 0.00 55.36 55.15 1pjw s GLN 100 Cb -0.20 -0.27 -0.04 0.00 0.03 0.00 0.00 33.01 32.52 1pjw s GLN 100 CO 0.24 0.04 0.13 0.96 -2.54 0.00 0.00 175.29 174.13 1pjw s ILE 101 N -1.43 4.94 0.01 3.63 -4.36 -1.07 -4.94 121.20 117.98 1pjw s ILE 101 Ca -0.10 -0.53 0.03 0.00 -0.26 0.00 0.00 60.65 59.80 1pjw s ILE 101 Cb -0.10 -3.36 -0.01 0.00 1.25 0.00 0.00 42.46 40.24 1pjw s ILE 101 CO 0.00 0.18 -0.11 0.54 0.24 0.00 0.00 174.94 175.80 1pjw s ASN 102 N -2.29 1.24 0.28 4.36 2.20 -1.26 -0.47 114.94 118.99 1pjw s ASN 102 Ca 0.30 -0.28 0.05 0.00 -0.94 0.00 0.00 52.86 51.99 1pjw s ASN 102 Cb -0.12 -0.11 -0.06 0.00 -2.00 0.00 0.00 41.25 38.96 1pjw s ASN 102 CO 0.22 0.07 -0.00 -1.00 -2.94 0.00 0.00 177.10 173.45 1pjw s HIS 103 N -0.49 1.81 -0.63 1.54 3.76 0.61 -4.98 115.29 116.91 1pjw s HIS 103 Ca 0.02 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 54.10 1pjw s HIS 103 Cb -0.05 -1.09 0.16 0.00 1.11 0.00 0.00 32.58 32.70 1pjw s HIS 103 CO 0.00 0.08 0.41 -3.38 -0.85 0.00 0.00 174.74 171.00 1pjw s HIS 104 N -3.25 3.41 -0.24 1.40 -3.43 -1.26 -2.35 115.29 109.57 1pjw s HIS 104 Ca 0.31 -3.19 -0.41 0.00 -0.80 0.00 0.00 55.06 50.97 1pjw s HIS 104 Cb 0.06 -2.84 -0.17 0.00 -1.43 0.00 0.00 32.58 28.20 1pjw s HIS 104 CO 0.12 -0.67 1.60 1.87 -2.00 0.00 0.00 174.74 175.66 1pjw n TRP 105 N 2.62 1.80 -3.68 0.38 -0.00 0.57 -4.78 117.44 114.34 1pjw n TRP 105 Ca 0.12 0.71 -0.24 0.00 -0.00 0.00 0.00 57.50 58.09 1pjw n TRP 105 Cb 0.34 -2.37 -0.17 0.00 -0.00 0.00 0.00 31.31 29.11 1pjw n TRP 105 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1pjw s HIS 106 N 2.66 0.42 -1.20 5.87 2.46 -1.26 -2.29 115.29 121.94 1pjw s HIS 106 Ca 0.97 -0.23 0.26 0.00 0.47 0.00 0.00 55.06 56.52 1pjw s HIS 106 Cb -1.15 -0.72 0.63 0.00 -0.13 0.00 0.00 32.58 31.21 1pjw s HIS 106 CO 0.65 -0.40 1.49 1.17 -2.47 0.00 0.00 174.74 175.18 1pjw n LYS 107 N 5.21 0.22 -3.65 2.88 4.81 -1.26 -4.88 118.16 121.49 1pjw n LYS 107 Ca -0.06 -0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.24 1pjw n LYS 107 Cb 0.49 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.98 1pjw n LYS 107 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pjw s ALA 108 N -2.86 -2.38 -0.58 3.14 0.00 -1.26 -5.04 121.76 112.78 1pjw s ALA 108 Ca 0.15 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.20 1pjw s ALA 108 Cb 0.18 -1.79 0.48 0.00 0.00 0.00 0.00 23.12 21.99 1pjw s ALA 108 CO 0.64 -0.32 1.88 0.41 0.00 0.00 0.00 175.76 178.38 1pjw n GLY 109 N 3.32 5.77 2.74 0.00 0.00 -1.26 -4.90 105.19 110.86 1pjw n GLY 109 Ca -0.17 -2.19 -0.18 0.00 0.00 0.00 0.00 46.02 43.48 1pjw n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pjw s SER 110 N -2.05 0.73 0.00 1.61 0.01 -1.26 -5.29 113.70 107.44 1pjw s SER 110 Ca 0.61 0.13 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1pjw s SER 110 Cb 0.49 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1pjw s SER 110 CO 0.01 -0.21 0.06 0.41 0.41 0.00 0.00 173.24 173.92