#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 1.33 0.18 -1.24 -2.85 -1.26 -5.17 119.74 110.74 1pjw s LYS 2 Ca 0.00 -1.71 0.10 0.00 -1.00 0.00 0.00 55.97 53.36 1pjw s LYS 2 Cb 0.00 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 1pjw s LYS 2 CO 0.00 -0.45 -0.17 -0.51 0.10 0.00 0.00 175.35 174.31 1pjw s LEU 3 N -3.21 2.69 -0.40 2.77 2.01 -1.26 -5.10 118.68 116.18 1pjw s LEU 3 Ca 0.39 -0.72 -0.04 0.00 0.01 0.00 0.00 54.13 53.77 1pjw s LEU 3 Cb 0.06 -1.41 0.10 0.00 0.01 0.00 0.00 46.19 44.95 1pjw s LEU 3 CO 0.16 0.11 0.20 0.00 1.01 0.00 0.00 176.35 177.83 1pjw s ALA 4 N -1.67 3.15 0.36 4.21 0.00 -1.26 -5.08 121.76 121.47 1pjw s ALA 4 Ca 0.23 -2.37 0.08 0.00 0.00 0.00 0.00 51.96 49.90 1pjw s ALA 4 Cb -0.08 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1pjw s ALA 4 CO 0.12 -1.71 0.19 -0.51 0.00 0.00 0.00 175.76 173.85 1pjw s LEU 5 N 1.22 3.27 0.00 0.00 1.02 -1.26 -5.14 118.68 117.78 1pjw s LEU 5 Ca 0.05 -0.82 0.00 0.00 0.02 0.00 0.00 54.13 53.39 1pjw s LEU 5 Cb -0.23 -1.74 -0.00 0.00 0.02 0.00 0.00 46.19 44.24 1pjw s LEU 5 CO -0.02 -0.40 0.02 2.29 0.02 0.00 0.00 176.35 178.25 1pjw n LYS 6 N -1.23 0.89 -3.12 1.70 0.00 -1.26 -5.10 118.16 110.04 1pjw n LYS 6 Ca -0.02 -0.41 -0.18 0.00 -0.00 0.00 0.00 58.31 57.70 1pjw n LYS 6 Cb 0.62 0.23 -0.03 0.00 -0.00 0.00 0.00 35.03 35.85 1pjw n LYS 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pjw n GLY 7 N 1.96 3.58 3.78 2.58 0.00 -1.26 -5.11 105.19 110.71 1pjw n GLY 7 Ca -0.01 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 1pjw n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pjw s THR 8 N -2.65 3.46 -0.43 2.61 -4.23 -1.26 -4.83 115.64 108.31 1pjw s THR 8 Ca 0.40 0.47 -0.43 0.00 -1.18 0.00 0.00 61.69 60.95 1pjw s THR 8 Cb 0.36 -3.08 -0.17 0.00 1.34 0.00 0.00 72.50 70.95 1pjw s THR 8 CO -0.07 -0.62 1.89 0.35 -0.54 0.00 0.00 174.62 175.63 1pjw n THR 9 N -3.42 0.10 -4.25 3.99 -2.24 -1.26 -4.92 114.28 102.28 1pjw n THR 9 Ca 0.08 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.63 1pjw n THR 9 Cb 0.54 -0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 67.83 1pjw n THR 9 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1pjw s TYR 10 N 4.73 1.42 -0.22 4.78 -0.85 -1.26 -5.13 117.35 120.82 1pjw s TYR 10 Ca 1.09 -0.57 -0.06 0.00 -0.52 0.00 0.00 57.07 57.01 1pjw s TYR 10 Cb -1.31 -0.73 -0.03 0.00 0.38 0.00 0.00 41.96 40.27 1pjw s TYR 10 CO 0.68 0.16 0.03 0.20 -1.52 0.00 0.00 175.55 175.10 1pjw s GLY 11 N -2.57 1.74 -1.12 5.49 0.00 -1.26 -5.03 107.32 104.57 1pjw s GLY 11 Ca 0.11 -1.06 -0.19 0.00 0.00 0.00 0.00 44.72 43.57 1pjw s GLY 11 CO 0.03 0.39 1.47 1.06 0.00 0.00 0.00 173.10 176.05 1pjw s MET 12 N 1.31 3.80 -0.25 2.90 -1.94 -1.26 -1.58 119.30 122.28 1pjw s MET 12 Ca 0.04 -1.76 -0.02 0.00 -1.71 0.00 0.00 55.69 52.24 1pjw s MET 12 Cb -0.15 -5.27 0.13 0.00 2.01 0.00 0.00 34.83 31.55 1pjw s MET 12 CO 0.02 -2.06 0.33 0.00 -0.01 0.00 0.00 175.02 173.29 1pjw n THR 14 N 5.34 0.00 0.04 0.00 -1.04 -1.24 -4.27 114.28 113.12 1pjw n THR 14 Ca -0.03 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.00 1pjw n THR 14 Cb 0.49 0.40 0.15 0.00 -1.82 0.00 0.00 70.33 69.55 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 0.00 0.04 -0.77 -2.82 0.28 -1.26 -3.82 120.64 112.29 1pjw n GLU 15 Ca -0.22 0.51 -0.24 0.00 -0.16 0.00 0.00 57.16 57.06 1pjw n GLU 15 Cb 0.63 -1.65 -0.02 0.00 1.43 0.00 0.00 31.44 31.82 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 -1.68 1.99 -4.25 3.44 4.01 -1.26 -4.84 118.16 115.57 1pjw n LYS 16 Ca -0.00 -1.48 -0.35 0.00 -0.51 0.00 0.00 58.31 55.97 1pjw n LYS 16 Cb 0.04 -2.49 -0.08 0.00 -0.51 0.00 0.00 35.03 31.98 1pjw n LYS 16 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1pjw s PHE 17 N 3.60 3.23 -0.15 2.13 0.40 -1.25 -2.58 117.98 123.36 1pjw s PHE 17 Ca 0.40 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.97 1pjw s PHE 17 Cb 0.10 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.87 1pjw s PHE 17 CO -0.02 0.52 -0.13 -1.12 0.70 0.00 0.00 175.22 175.17 1pjw s SER 18 N -1.12 2.64 -0.13 1.36 0.01 -0.37 -4.91 113.70 111.19 1pjw s SER 18 Ca 0.16 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 56.65 1pjw s SER 18 Cb -0.12 -1.14 -0.06 0.00 0.21 0.00 0.00 66.02 64.92 1pjw s SER 18 CO 0.05 -0.07 1.94 -0.36 0.41 0.00 0.00 173.24 175.22 1pjw s PHE 19 N 1.51 1.50 -0.13 2.43 0.08 -1.26 -0.53 117.98 121.57 1pjw s PHE 19 Ca 0.05 0.18 0.15 0.00 0.12 0.00 0.00 56.93 57.42 1pjw s PHE 19 Cb -0.13 -4.06 -0.21 0.00 -0.57 0.00 0.00 43.02 38.06 1pjw s PHE 19 CO -0.10 -4.28 0.11 0.00 -0.10 0.00 0.00 175.22 170.85 1pjw n ALA 20 N 9.17 1.78 -3.02 5.36 0.00 0.51 -4.89 120.51 129.41 1pjw n ALA 20 Ca 0.23 -0.95 -0.11 0.00 0.00 0.00 0.00 53.44 52.61 1pjw n ALA 20 Cb 0.44 -0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.52 0.59 0.83 0.00 1.02 -0.96 -4.99 119.74 113.72 1pjw s LYS 21 Ca -0.08 -0.47 -0.11 0.00 0.02 0.00 0.00 55.97 55.33 1pjw s LYS 21 Cb 0.06 0.25 0.09 0.00 -0.52 0.00 0.00 37.83 37.71 1pjw s LYS 21 CO 0.66 -0.16 1.09 -0.80 -0.92 0.00 0.00 175.35 175.23 1pjw s ASN 22 N -1.67 4.06 0.04 2.83 -0.87 -1.26 -4.09 114.94 113.98 1pjw s ASN 22 Ca -0.11 1.47 -0.30 0.00 -1.57 0.00 0.00 52.86 52.35 1pjw s ASN 22 Cb -0.05 -2.18 -0.06 0.00 -0.02 0.00 0.00 41.25 38.94 1pjw s ASN 22 CO -0.00 -2.26 1.27 -2.16 -2.57 0.00 0.00 177.10 171.38 1pjw s PRO 23 N -5.01 4.37 0.13 -0.60 0.04 -1.26 -4.68 135.00 128.00 1pjw s PRO 23 Ca 0.62 1.84 0.08 0.00 0.04 0.00 0.00 61.00 63.58 1pjw s PRO 23 Cb -0.16 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1pjw s PRO 23 CO 0.56 -0.39 -0.19 0.00 0.04 0.00 0.00 177.00 177.02 1pjw s ALA 24 N 1.56 1.90 0.24 8.56 0.00 -0.47 -4.84 121.76 128.71 1pjw s ALA 24 Ca 0.60 -1.37 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 1pjw s ALA 24 Cb -0.30 -0.21 -0.08 0.00 0.00 0.00 0.00 23.12 22.53 1pjw s ALA 24 CO 0.27 0.29 0.73 0.34 0.00 0.00 0.00 175.76 177.39 1pjw s ASP 25 N -2.32 7.01 -0.13 0.00 -1.08 -1.26 0.12 116.67 119.01 1pjw s ASP 25 Ca 0.11 1.39 0.22 0.00 -0.52 0.00 0.00 52.55 53.75 1pjw s ASP 25 Cb -0.08 -2.41 0.46 0.00 -1.46 0.00 0.00 42.92 39.43 1pjw s ASP 25 CO 0.05 -0.01 1.16 0.41 0.52 0.00 0.00 175.17 177.31 1pjw n THR 26 N 0.54 0.89 0.00 1.71 -1.04 0.54 -4.89 114.28 112.03 1pjw n THR 26 Ca -0.01 -2.16 0.00 0.00 -2.04 0.00 0.00 64.05 59.84 1pjw n THR 26 Cb 0.51 0.76 0.00 0.00 -1.82 0.00 0.00 70.33 69.79 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 -0.15 -0.86 2.75 3.41 0.00 -1.26 -4.92 105.19 104.16 1pjw n GLY 27 Ca 0.11 0.34 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 2.23 0.00 1.61 2.46 -1.26 -4.74 115.29 115.58 1pjw s HIS 28 Ca 0.00 -2.59 0.00 0.00 0.47 0.00 0.00 55.06 52.94 1pjw s HIS 28 Cb 0.00 -2.04 0.00 0.00 -0.13 0.00 0.00 32.58 30.41 1pjw s HIS 28 CO 0.00 -0.76 0.00 0.41 -2.47 0.00 0.00 174.74 171.92 1pjw n GLY 29 N 3.36 1.67 3.62 1.59 0.00 -1.26 -5.00 105.19 109.17 1pjw n GLY 29 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.80 4.42 -0.06 2.61 -4.23 -1.26 -4.02 115.64 110.29 1pjw s THR 30 Ca 0.00 1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 62.02 1pjw s THR 30 Cb 0.00 -4.47 -0.03 0.00 1.34 0.00 0.00 72.50 69.33 1pjw s THR 30 CO 0.00 -0.66 0.02 -0.69 -0.54 0.00 0.00 174.62 172.75 1pjw s VAL 31 N 3.90 4.39 -0.02 2.29 1.01 0.62 -0.34 120.40 132.25 1pjw s VAL 31 Ca 0.46 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1pjw s VAL 31 Cb -0.10 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1pjw s VAL 31 CO 0.21 0.54 -0.10 0.68 0.00 0.00 0.00 175.10 176.42 1pjw s VAL 32 N -0.96 3.38 -0.02 2.92 -7.23 0.32 -0.49 120.40 118.32 1pjw s VAL 32 Ca 0.16 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1pjw s VAL 32 Cb -0.11 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1pjw s VAL 32 CO 0.05 0.48 0.05 -0.51 -0.31 0.00 0.00 175.10 174.86 1pjw s ILE 33 N -0.88 0.00 -0.19 -0.62 1.10 -0.40 -1.37 121.20 118.84 1pjw s ILE 33 Ca 0.14 -0.02 0.01 0.00 -0.51 0.00 0.00 60.65 60.27 1pjw s ILE 33 Cb -0.11 -0.08 0.03 0.00 0.15 0.00 0.00 42.46 42.45 1pjw s ILE 33 CO 0.04 -0.01 -0.15 -0.70 -2.11 0.00 0.00 174.94 172.01 1pjw s GLU 34 N -0.01 2.52 -0.02 3.50 2.12 -1.26 0.89 118.70 126.44 1pjw s GLU 34 Ca -0.00 -0.87 0.05 0.00 0.36 0.00 0.00 54.97 54.50 1pjw s GLU 34 Cb -0.01 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.86 1pjw s GLU 34 CO 0.00 -0.33 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.71 1pjw s LEU 35 N 1.32 2.02 -0.13 2.70 1.02 -0.33 -0.37 118.68 124.91 1pjw s LEU 35 Ca 0.01 -0.32 -0.22 0.00 0.02 0.00 0.00 54.13 53.62 1pjw s LEU 35 Cb -0.15 -0.92 -0.03 0.00 0.02 0.00 0.00 46.19 45.12 1pjw s LEU 35 CO -0.10 0.21 0.67 -0.94 0.02 0.00 0.00 176.35 176.21 1pjw s SER 36 N -0.37 6.85 -0.76 2.29 1.04 0.31 0.05 113.70 123.11 1pjw s SER 36 Ca 0.06 1.02 -0.20 0.00 0.48 0.00 0.00 55.95 57.31 1pjw s SER 36 Cb -0.07 -2.38 0.11 0.00 0.10 0.00 0.00 66.02 63.77 1pjw s SER 36 CO -0.00 -0.19 0.97 -0.47 0.98 0.00 0.00 173.24 174.52 1pjw s TYR 37 N 1.33 2.96 -1.18 5.02 5.04 -1.00 -1.23 117.35 128.28 1pjw s TYR 37 Ca 0.33 -1.02 -0.07 0.00 -2.44 0.00 0.00 57.07 53.88 1pjw s TYR 37 Cb -0.17 -4.21 0.24 0.00 0.35 0.00 0.00 41.96 38.17 1pjw s TYR 37 CO 0.14 -1.49 1.69 0.45 -1.34 0.00 0.00 175.55 175.00 1pjw n SER 38 N 6.83 5.75 -4.15 4.32 2.88 -1.07 -4.10 113.62 124.09 1pjw n SER 38 Ca 0.07 -3.26 -0.31 0.00 -1.33 0.00 0.00 58.87 54.03 1pjw n SER 38 Cb 0.46 -1.38 -0.17 0.00 -0.75 0.00 0.00 64.21 62.38 1pjw n SER 38 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1pjw s GLY 39 N -0.46 1.24 -0.11 0.46 0.00 -1.26 -4.94 107.32 102.26 1pjw s GLY 39 Ca 0.35 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 44.17 1pjw s GLY 39 CO 0.06 -0.04 1.11 -1.14 0.00 0.00 0.00 173.10 173.09 1pjw n SER 40 N 3.93 2.91 -0.86 1.64 3.41 -1.26 -3.76 113.62 119.64 1pjw n SER 40 Ca -0.20 -2.42 0.12 0.00 -0.26 0.00 0.00 58.87 56.11 1pjw n SER 40 Cb 0.52 -0.59 0.09 0.00 -0.26 0.00 0.00 64.21 63.97 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 0.08 2.78 0.00 4.04 8.00 -1.26 -5.08 116.55 125.11 1pjw n ASP 41 Ca 0.14 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1pjw n ASP 41 Cb 0.73 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pjw n GLY 42 N 1.36 -1.76 3.79 0.44 0.00 -1.25 -4.91 105.19 102.86 1pjw n GLY 42 Ca 0.13 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 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 3.45 -0.05 1.61 0.04 -1.26 -4.97 135.00 133.83 1pjw s PRO 43 Ca 0.00 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1pjw s PRO 43 Cb 0.00 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.61 1pjw s PRO 43 CO 0.00 -0.73 1.02 0.00 0.04 0.00 0.00 177.00 177.34 1pjw s LYS 45 N -2.87 4.28 -0.46 0.00 -0.14 -0.61 0.12 119.74 120.06 1pjw s LYS 45 Ca 0.08 1.54 -0.26 0.00 -1.36 0.00 0.00 55.97 55.97 1pjw s LYS 45 Cb -0.01 -3.67 0.03 0.00 -1.68 0.00 0.00 37.83 32.50 1pjw s LYS 45 CO -0.06 -0.60 0.97 0.42 -0.76 0.00 0.00 175.35 175.32 1pjw s ILE 46 N 3.03 4.42 -0.57 2.17 1.01 -0.15 -1.80 121.20 129.31 1pjw s ILE 46 Ca 0.51 0.88 -0.28 0.00 0.00 0.00 0.00 60.65 61.76 1pjw s ILE 46 Cb -0.20 -4.47 0.03 0.00 0.01 0.00 0.00 42.46 37.84 1pjw s ILE 46 CO 0.14 -0.86 1.17 -2.16 0.00 0.00 0.00 174.94 173.23 1pjw s PRO 47 N 3.89 3.51 0.02 2.79 0.04 -1.26 -4.74 135.00 139.25 1pjw s PRO 47 Ca 0.39 0.23 0.07 0.00 0.04 0.00 0.00 61.00 61.74 1pjw s PRO 47 Cb -0.10 -4.01 -0.02 0.00 0.04 0.00 0.00 34.50 30.41 1pjw s PRO 47 CO 0.27 -1.66 -0.22 0.42 0.04 0.00 0.00 177.00 175.85 1pjw s ILE 48 N 4.86 1.78 -0.40 0.56 1.09 -1.26 -1.31 121.20 126.52 1pjw s ILE 48 Ca 0.42 -1.14 0.04 0.00 -1.10 0.00 0.00 60.65 58.87 1pjw s ILE 48 Cb -0.08 -1.52 0.11 0.00 -1.06 0.00 0.00 42.46 39.92 1pjw s ILE 48 CO 0.25 0.34 0.12 0.68 -0.10 0.00 0.00 174.94 176.24 1pjw s VAL 49 N -0.69 2.30 -0.58 2.92 -7.23 -0.24 -5.00 120.40 111.89 1pjw s VAL 49 Ca 0.09 -2.62 -0.23 0.00 -1.81 0.00 0.00 61.98 57.40 1pjw s VAL 49 Cb -0.09 -2.67 0.05 0.00 0.56 0.00 0.00 36.38 34.24 1pjw s VAL 49 CO 0.01 -0.67 0.90 -0.55 -0.31 0.00 0.00 175.10 174.48 1pjw s SER 50 N 0.54 6.27 0.19 4.85 0.15 -1.26 -2.44 113.70 122.01 1pjw s SER 50 Ca 0.13 -0.61 0.05 0.00 0.70 0.00 0.00 55.95 56.21 1pjw s SER 50 Cb -0.21 -2.41 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1pjw s SER 50 CO -0.06 -1.24 -0.07 0.68 1.20 0.00 0.00 173.24 173.75 1pjw s VAL 51 N 3.80 1.23 0.90 4.45 -7.23 -0.99 0.59 120.40 123.14 1pjw s VAL 51 Ca 0.26 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 1pjw s VAL 51 Cb -0.15 -2.07 0.13 0.00 0.56 0.00 0.00 36.38 34.85 1pjw s VAL 51 CO 0.16 -0.57 1.09 0.00 -0.31 0.00 0.00 175.10 175.47 1pjw s ALA 52 N -3.29 1.50 -0.59 1.32 0.00 -1.26 0.21 121.76 119.66 1pjw s ALA 52 Ca 0.22 0.05 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 1pjw s ALA 52 Cb 0.03 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1pjw s ALA 52 CO 0.05 -2.41 1.99 0.45 0.00 0.00 0.00 175.76 175.83 1pjw s SER 53 N -3.27 5.07 0.00 0.00 0.15 0.74 -2.55 113.70 113.84 1pjw s SER 53 Ca 0.64 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1pjw s SER 53 Cb -0.19 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1pjw s SER 53 CO 0.57 -2.50 0.00 -0.11 1.20 0.00 0.00 173.24 172.40 1pjw n LEU 54 N 13.50 0.00 -4.62 3.45 -0.00 -1.26 -4.87 117.00 123.20 1pjw n LEU 54 Ca 0.24 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.88 1pjw n LEU 54 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 1pjw n LEU 54 CO 0.71 0.00 -0.15 0.20 -0.00 0.00 0.00 177.39 178.15 1pjw s ASN 55 N 0.00 6.08 -0.19 1.96 0.01 -1.25 -4.94 114.94 116.60 1pjw s ASN 55 Ca 0.00 0.06 0.16 0.00 -0.71 0.00 0.00 52.86 52.37 1pjw s ASN 55 Cb 0.00 -2.12 0.65 0.00 0.41 0.00 0.00 41.25 40.19 1pjw s ASN 55 CO 0.00 -0.01 1.56 0.47 -1.51 0.00 0.00 177.10 177.61 1pjw n ASP 56 N 4.77 4.65 0.00 -1.22 8.00 -1.26 -4.33 116.55 127.16 1pjw n ASP 56 Ca -0.14 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.43 1pjw n ASP 56 Cb 0.52 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.05 3.26 -4.26 -1.24 2.81 -1.26 -5.04 117.12 111.44 1pjw n MET 57 Ca 0.24 -0.10 -0.17 0.00 -1.81 0.00 0.00 57.70 55.86 1pjw n MET 57 Cb 1.01 -0.49 -0.14 0.00 -0.71 0.00 0.00 33.22 32.88 1pjw n MET 57 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1pjw s THR 58 N -0.49 0.58 0.21 2.03 -4.23 -1.26 -5.12 115.64 107.35 1pjw s THR 58 Ca 0.00 -0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 59.83 1pjw s THR 58 Cb 0.00 -0.50 -0.08 0.00 1.34 0.00 0.00 72.50 73.25 1pjw s THR 58 CO 0.00 0.12 1.18 -2.16 -0.54 0.00 0.00 174.62 173.21 1pjw s PRO 59 N -0.30 4.52 0.00 3.99 0.04 -1.26 -4.81 135.00 137.18 1pjw s PRO 59 Ca 0.02 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1pjw s PRO 59 Cb -0.03 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1pjw s PRO 59 CO -0.00 -0.03 0.34 0.28 0.04 0.00 0.00 177.00 177.63 1pjw n VAL 60 N 2.21 0.00 -3.83 -0.36 0.31 -1.22 -5.02 118.33 110.42 1pjw n VAL 60 Ca 0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.13 1pjw n VAL 60 Cb 0.45 0.63 -0.05 0.00 -0.91 0.00 0.00 33.84 33.96 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 -0.03 2.25 0.00 2.92 0.00 0.20 -4.59 107.32 108.07 1pjw s GLY 61 Ca 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 44.72 42.81 1pjw s GLY 61 CO 0.00 -1.81 0.02 0.50 0.00 0.00 0.00 173.10 171.81 1pjw s ARG 62 N -4.05 2.84 -0.28 2.90 1.81 -1.23 -4.92 118.95 116.02 1pjw s ARG 62 Ca 0.44 -0.59 0.00 0.00 -1.72 0.00 0.00 55.73 53.86 1pjw s ARG 62 Cb -0.00 -2.71 0.05 0.00 -0.45 0.00 0.00 34.95 31.84 1pjw s ARG 62 CO 0.25 0.63 -0.05 -0.51 -0.68 0.00 0.00 175.30 174.93 1pjw s LEU 63 N -1.63 3.66 -0.72 2.53 1.02 -1.26 -0.35 118.68 121.93 1pjw s LEU 63 Ca 0.21 -1.30 -0.02 0.00 0.02 0.00 0.00 54.13 53.04 1pjw s LEU 63 Cb -0.12 -1.64 0.42 0.00 0.02 0.00 0.00 46.19 44.88 1pjw s LEU 63 CO 0.11 -0.22 2.03 0.52 0.02 0.00 0.00 176.35 178.82 1pjw n VAL 64 N 4.54 3.62 -4.36 -1.59 0.31 -0.74 -4.93 118.33 115.19 1pjw n VAL 64 Ca -0.14 -3.32 -0.20 0.00 -0.01 0.00 0.00 64.34 60.68 1pjw n VAL 64 Cb 0.43 -1.18 -0.13 0.00 -0.91 0.00 0.00 33.84 32.04 1pjw n VAL 64 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1pjw s THR 65 N -4.90 1.03 0.14 2.52 2.01 -1.24 -4.50 115.64 110.70 1pjw s THR 65 Ca 0.61 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 1pjw s THR 65 Cb 0.49 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 72.10 1pjw s THR 65 CO -0.12 0.03 0.07 1.33 -0.69 0.00 0.00 174.62 175.23 1pjw n VAL 66 N 2.05 0.00 -1.56 3.82 0.24 -1.26 -4.57 118.33 117.05 1pjw n VAL 66 Ca -0.17 0.00 -0.57 0.00 -2.04 0.00 0.00 64.34 61.56 1pjw n VAL 66 Cb 0.55 -0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.00 1.95 -3.47 -1.34 4.13 -1.26 -4.74 115.26 108.53 1pjw n ASN 67 Ca 0.01 0.83 -0.36 0.00 1.68 0.00 0.00 54.58 56.74 1pjw n ASN 67 Cb 0.05 -1.11 -0.04 0.00 -1.54 0.00 0.00 39.78 37.14 1pjw n ASN 67 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1pjw n PRO 68 N 6.45 1.89 -3.88 3.52 -0.04 -1.26 -4.81 135.00 136.87 1pjw n PRO 68 Ca 0.36 -1.79 -0.21 0.00 -0.04 0.00 0.00 63.50 61.82 1pjw n PRO 68 Cb 0.11 -2.79 -0.17 0.00 -0.04 0.00 0.00 33.50 30.62 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 4.21 0.61 -0.97 0.54 0.08 -1.26 -0.97 117.98 120.21 1pjw s PHE 69 Ca 0.51 -0.14 -0.06 0.00 0.12 0.00 0.00 56.93 57.36 1pjw s PHE 69 Cb 0.13 -0.70 -0.06 0.00 -0.57 0.00 0.00 43.02 41.82 1pjw s PHE 69 CO 0.04 -0.26 2.17 0.28 -0.10 0.00 0.00 175.22 177.35 1pjw n VAL 70 N 4.75 2.58 -1.64 -0.44 0.31 0.12 -4.69 118.33 119.33 1pjw n VAL 70 Ca -0.14 -1.55 -0.35 0.00 -0.01 0.00 0.00 64.34 62.29 1pjw n VAL 70 Cb 0.50 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.22 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 4.23 6.92 -2.46 3.52 0.00 -1.26 -2.24 120.51 129.22 1pjw n ALA 71 Ca 0.47 -3.56 -0.11 0.00 0.00 0.00 0.00 53.44 50.25 1pjw n ALA 71 Cb 0.14 -2.79 -0.09 0.00 0.00 0.00 0.00 19.45 16.72 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 -0.25 0.02 -1.48 0.00 2.01 -1.26 -5.03 115.64 109.64 1pjw s THR 72 Ca 0.60 -1.81 0.23 0.00 0.31 0.00 0.00 61.69 61.03 1pjw s THR 72 Cb 0.23 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 1pjw s THR 72 CO -0.10 -0.07 1.19 -1.54 -0.69 0.00 0.00 174.62 173.41 1pjw n SER 73 N -0.27 1.24 -0.03 3.53 3.41 -1.26 -4.12 113.62 116.12 1pjw n SER 73 Ca -0.00 -1.01 0.03 0.00 -0.26 0.00 0.00 58.87 57.63 1pjw n SER 73 Cb 0.65 0.53 0.04 0.00 -0.26 0.00 0.00 64.21 65.17 1pjw n SER 73 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pjw n SER 74 N -0.86 2.00 0.00 4.04 3.41 -1.26 -4.64 113.62 116.31 1pjw n SER 74 Ca 0.08 -2.29 0.06 0.00 -0.26 0.00 0.00 58.87 56.46 1pjw n SER 74 Cb 0.38 -0.13 0.37 0.00 -0.26 0.00 0.00 64.21 64.56 1pjw n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pjw n ALA 75 N -0.76 2.42 0.67 7.33 0.00 -1.26 -3.36 120.51 125.56 1pjw n ALA 75 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.42 1pjw n ALA 75 Cb 0.38 -1.20 0.07 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.73 1.87 -2.67 0.00 3.02 -1.26 -3.70 115.26 111.80 1pjw n ASN 76 Ca 0.09 -2.17 -0.09 0.00 -0.03 0.00 0.00 54.58 52.38 1pjw n ASN 76 Cb 0.04 -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 0.11 2.10 -4.56 6.41 7.64 -1.21 -4.38 113.62 119.72 1pjw n SER 77 Ca 0.05 -1.67 -0.18 0.00 1.01 0.00 0.00 58.87 58.08 1pjw n SER 77 Cb 0.43 0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.72 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 -2.54 1.85 1.01 1.43 3.01 -1.26 -2.38 119.74 120.86 1pjw s LYS 78 Ca 0.01 0.16 -0.16 0.00 -1.01 0.00 0.00 55.97 54.97 1pjw s LYS 78 Cb 0.00 -4.89 0.20 0.00 -1.01 0.00 0.00 37.83 32.13 1pjw s LYS 78 CO 0.01 -4.23 1.22 0.14 0.51 0.00 0.00 175.35 173.00 1pjw s VAL 79 N 13.57 1.89 -0.01 3.17 -7.23 0.11 -4.71 120.40 127.19 1pjw s VAL 79 Ca 0.85 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 61.05 1pjw s VAL 79 Cb -0.10 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1pjw s VAL 79 CO 0.06 0.00 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.52 1pjw s LEU 80 N -6.19 2.02 0.32 1.32 0.20 -1.26 -1.19 118.68 113.90 1pjw s LEU 80 Ca 0.70 -0.20 0.03 0.00 0.69 0.00 0.00 54.13 55.35 1pjw s LEU 80 Cb -0.08 -0.57 -0.05 0.00 -0.43 0.00 0.00 46.19 45.06 1pjw s LEU 80 CO 0.54 0.14 0.10 -0.69 -0.29 0.00 0.00 176.35 176.14 1pjw s VAL 81 N -0.26 0.78 0.01 1.68 1.01 0.26 -4.97 120.40 118.91 1pjw s VAL 81 Ca 0.04 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.04 1pjw s VAL 81 Cb -0.04 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1pjw s VAL 81 CO -0.00 0.00 -0.07 -1.61 0.00 0.00 0.00 175.10 173.42 1pjw s GLU 82 N -3.88 0.50 -0.14 2.72 2.02 -1.26 -1.28 118.70 117.38 1pjw s GLU 82 Ca 0.34 -0.35 -0.17 0.00 0.02 0.00 0.00 54.97 54.81 1pjw s GLU 82 Cb 0.07 -0.44 0.04 0.00 0.10 0.00 0.00 34.13 33.90 1pjw s GLU 82 CO 0.15 0.11 0.46 -1.64 0.02 0.00 0.00 175.26 174.36 1pjw s MET 83 N -0.49 0.61 -0.83 1.61 -1.94 0.36 -1.80 119.30 116.82 1pjw s MET 83 Ca -0.00 0.49 0.02 0.00 -1.71 0.00 0.00 55.69 54.48 1pjw s MET 83 Cb -0.04 0.29 0.29 0.00 2.01 0.00 0.00 34.83 37.38 1pjw s MET 83 CO -0.00 -0.10 1.15 0.39 -0.01 0.00 0.00 175.02 176.44 1pjw n GLU 84 N 2.43 3.62 -1.82 2.03 -0.58 0.53 -0.28 120.64 126.56 1pjw n GLU 84 Ca -0.15 -4.66 -0.32 0.00 -0.42 0.00 0.00 57.16 51.61 1pjw n GLU 84 Cb 0.57 -2.37 0.03 0.00 -0.57 0.00 0.00 31.44 29.10 1pjw n GLU 84 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1pjw s PRO 85 N -2.90 3.00 0.81 3.49 0.04 -1.26 -3.47 135.00 134.71 1pjw s PRO 85 Ca 0.38 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1pjw s PRO 85 Cb 0.13 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.76 1pjw s PRO 85 CO 0.01 -1.07 1.09 -1.25 0.04 0.00 0.00 177.00 175.81 1pjw s PRO 86 N -4.25 1.96 0.25 0.56 0.04 -1.26 -4.99 135.00 127.32 1pjw s PRO 86 Ca 0.64 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1pjw s PRO 86 Cb -0.18 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1pjw s PRO 86 CO 0.42 -1.76 1.14 -0.59 0.04 0.00 0.00 177.00 176.25 1pjw s PHE 87 N -3.02 3.51 -0.36 0.56 -0.12 -1.26 -4.79 117.98 112.50 1pjw s PHE 87 Ca 0.61 1.61 0.00 0.00 -0.05 0.00 0.00 56.93 59.10 1pjw s PHE 87 Cb -0.16 -3.35 0.00 0.00 -0.63 0.00 0.00 43.02 38.88 1pjw s PHE 87 CO 0.56 -0.80 0.00 0.41 -0.05 0.00 0.00 175.22 175.34 1pjw n GLY 88 N 1.47 0.31 3.80 1.99 0.00 -1.26 -5.02 105.19 106.48 1pjw n GLY 88 Ca 0.01 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 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 6.81 -0.04 1.61 1.11 -1.26 -4.29 116.67 116.61 1pjw s ASP 89 Ca 0.00 0.96 0.03 0.00 0.18 0.00 0.00 52.55 53.72 1pjw s ASP 89 Cb 0.00 -2.28 0.01 0.00 1.07 0.00 0.00 42.92 41.72 1pjw s ASP 89 CO 0.00 0.23 -0.11 -0.44 1.18 0.00 0.00 175.17 176.03 1pjw s SER 90 N -0.60 1.53 -0.71 0.27 0.01 -1.01 0.26 113.70 113.45 1pjw s SER 90 Ca 0.25 -0.25 -0.20 0.00 1.31 0.00 0.00 55.95 57.07 1pjw s SER 90 Cb -0.17 -0.53 0.11 0.00 0.21 0.00 0.00 66.02 65.63 1pjw s SER 90 CO 0.13 0.06 0.89 -0.31 0.41 0.00 0.00 173.24 174.43 1pjw s TYR 91 N 0.37 2.96 -0.30 2.43 2.02 0.58 -1.10 117.35 124.31 1pjw s TYR 91 Ca -0.07 -0.99 -0.10 0.00 -0.37 0.00 0.00 57.07 55.53 1pjw s TYR 91 Cb -0.12 -4.16 -0.02 0.00 -0.40 0.00 0.00 41.96 37.26 1pjw s TYR 91 CO 0.02 -1.44 0.17 0.96 -1.57 0.00 0.00 175.55 173.69 1pjw s ILE 92 N 2.99 4.89 -0.10 2.71 -4.36 -0.33 -2.36 121.20 124.64 1pjw s ILE 92 Ca 0.20 -0.22 0.03 0.00 -0.26 0.00 0.00 60.65 60.41 1pjw s ILE 92 Cb -0.16 -3.44 -0.01 0.00 1.25 0.00 0.00 42.46 40.10 1pjw s ILE 92 CO 0.03 0.12 -0.22 -0.69 0.24 0.00 0.00 174.94 174.42 1pjw s VAL 93 N 1.67 2.30 -0.55 8.37 1.01 -1.02 -0.96 120.40 131.22 1pjw s VAL 93 Ca 0.06 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1pjw s VAL 93 Cb -0.17 -1.89 0.14 0.00 0.00 0.00 0.00 36.38 34.46 1pjw s VAL 93 CO 0.08 0.55 0.42 -0.69 0.00 0.00 0.00 175.10 175.46 1pjw s VAL 94 N 0.24 4.27 0.20 2.92 1.01 -0.00 -1.08 120.40 127.96 1pjw s VAL 94 Ca -0.14 -2.14 -0.17 0.00 0.00 0.00 0.00 61.98 59.53 1pjw s VAL 94 Cb -0.17 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1pjw s VAL 94 CO 0.07 -0.83 0.53 -0.83 0.00 0.00 0.00 175.10 174.04 1pjw s GLY 95 N 2.16 -0.03 -0.14 4.51 0.00 -0.43 -2.49 107.32 110.91 1pjw s GLY 95 Ca 0.10 -0.29 0.08 0.00 0.00 0.00 0.00 44.72 44.60 1pjw s GLY 95 CO -0.03 -0.29 -0.02 1.15 0.00 0.00 0.00 173.10 173.91 1pjw n MET 96 N -0.35 1.41 0.00 2.90 0.00 -1.26 -4.37 117.12 115.44 1pjw n MET 96 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.64 1pjw n MET 96 Cb 0.62 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 32.52 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 2.39 -1.65 0.00 3.17 0.00 -1.26 -5.06 105.19 102.79 1pjw n GLY 97 Ca -0.23 0.58 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 2.09 0.00 0.00 0.00 173.32 175.41 1pjw n ASP 98 N 0.00 0.00 -4.68 1.61 5.75 -1.26 -4.71 116.55 113.26 1pjw n ASP 98 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 1pjw n ASP 98 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1pjw s LYS 99 N 0.00 4.35 0.07 0.11 -0.14 -1.26 -5.03 119.74 117.84 1pjw s LYS 99 Ca 0.00 1.42 0.05 0.00 -1.36 0.00 0.00 55.97 56.08 1pjw s LYS 99 Cb 0.00 -3.59 -0.03 0.00 -1.68 0.00 0.00 37.83 32.53 1pjw s LYS 99 CO 0.00 -0.45 -0.13 1.14 -0.76 0.00 0.00 175.35 175.15 1pjw s GLN 100 N 2.50 0.78 -0.43 1.68 1.03 -1.26 -4.50 119.66 119.46 1pjw s GLN 100 Ca 0.48 -0.94 -0.13 0.00 0.04 0.00 0.00 55.36 54.82 1pjw s GLN 100 Cb -0.18 -0.75 0.06 0.00 0.03 0.00 0.00 33.01 32.17 1pjw s GLN 100 CO 0.14 0.16 0.30 0.42 -2.54 0.00 0.00 175.29 173.78 1pjw s ILE 101 N -1.32 4.81 -0.17 3.63 1.01 -1.04 -4.94 121.20 123.18 1pjw s ILE 101 Ca -0.03 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 1pjw s ILE 101 Cb -0.10 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 1pjw s ILE 101 CO 0.02 -0.45 0.24 0.54 0.00 0.00 0.00 174.94 175.29 1pjw s ASN 102 N 2.13 6.38 0.21 3.58 4.22 -1.26 -0.82 114.94 129.36 1pjw s ASN 102 Ca 0.03 0.44 0.07 0.00 -2.14 0.00 0.00 52.86 51.26 1pjw s ASN 102 Cb -0.22 -2.15 -0.05 0.00 1.28 0.00 0.00 41.25 40.11 1pjw s ASN 102 CO 0.06 0.14 -0.13 -1.00 -2.04 0.00 0.00 177.10 174.13 1pjw s HIS 103 N 0.33 1.69 -0.55 1.54 3.76 -0.13 -4.95 115.29 116.97 1pjw s HIS 103 Ca 0.14 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.49 1pjw s HIS 103 Cb -0.12 -0.81 0.14 0.00 1.11 0.00 0.00 32.58 32.90 1pjw s HIS 103 CO 0.02 0.32 0.33 -3.38 -0.85 0.00 0.00 174.74 171.19 1pjw s HIS 104 N -3.01 2.92 -0.71 1.40 -3.43 -1.26 -1.19 115.29 110.00 1pjw s HIS 104 Ca 0.23 -3.01 -0.27 0.00 -0.80 0.00 0.00 55.06 51.20 1pjw s HIS 104 Cb -0.00 -2.48 -0.14 0.00 -1.43 0.00 0.00 32.58 28.54 1pjw s HIS 104 CO 0.07 -0.70 2.52 1.87 -2.00 0.00 0.00 174.74 176.50 1pjw n TRP 105 N 2.85 1.05 -3.55 0.38 -0.00 -0.26 -4.78 117.44 113.13 1pjw n TRP 105 Ca 0.12 0.21 -0.41 0.00 -0.00 0.00 0.00 57.50 57.42 1pjw n TRP 105 Cb 0.34 -2.48 -0.10 0.00 -0.00 0.00 0.00 31.31 29.07 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 10.81 3.29 -0.98 5.87 2.46 -1.26 -2.42 115.29 133.06 1pjw s HIS 106 Ca 1.13 -1.23 0.28 0.00 0.47 0.00 0.00 55.06 55.72 1pjw s HIS 106 Cb -0.61 -2.85 1.11 0.00 -0.13 0.00 0.00 32.58 30.10 1pjw s HIS 106 CO 0.35 -0.78 1.85 0.36 -2.47 0.00 0.00 174.74 174.05 1pjw n LYS 107 N 5.00 0.02 -3.12 2.88 2.85 -1.26 -4.86 118.16 119.67 1pjw n LYS 107 Ca -0.11 0.01 -0.15 0.00 -1.05 0.00 0.00 58.31 57.02 1pjw n LYS 107 Cb 0.44 -1.52 -0.03 0.00 -0.65 0.00 0.00 35.03 33.27 1pjw n LYS 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pjw n ALA 108 N -1.52 0.24 -0.38 0.58 0.00 -1.26 -5.09 120.51 113.07 1pjw n ALA 108 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1pjw n ALA 108 Cb 0.35 0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.35 1pjw n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pjw n GLY 109 N 2.12 -1.67 3.84 0.00 0.00 -1.26 -5.12 105.19 103.10 1pjw n GLY 109 Ca -0.08 0.44 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.06 6.84 0.00 1.61 0.01 -1.26 -5.27 113.70 115.57 1pjw s SER 110 Ca 0.00 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.31 1pjw s SER 110 Cb 0.00 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1pjw s SER 110 CO 0.00 0.19 0.00 1.07 0.41 0.00 0.00 173.24 174.91