#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 2.21 0.05 -1.24 1.02 -1.26 -5.06 119.74 115.47 1pjw s LYS 2 Ca 0.00 0.83 0.06 0.00 0.02 0.00 0.00 55.97 56.88 1pjw s LYS 2 Cb 0.00 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1pjw s LYS 2 CO 0.00 -1.58 -0.12 -1.17 -0.92 0.00 0.00 175.35 171.57 1pjw s LEU 3 N -5.80 2.94 0.30 3.17 2.96 -1.26 -5.12 118.68 115.87 1pjw s LEU 3 Ca 0.60 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1pjw s LEU 3 Cb -0.15 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 1pjw s LEU 3 CO 0.55 0.23 0.55 0.00 -1.32 0.00 0.00 176.35 176.37 1pjw s ALA 4 N -1.06 3.63 -0.82 5.97 0.00 -1.26 -5.04 121.76 123.19 1pjw s ALA 4 Ca 0.18 -0.62 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 1pjw s ALA 4 Cb -0.11 -2.27 0.21 0.00 0.00 0.00 0.00 23.12 20.95 1pjw s ALA 4 CO 0.09 0.20 0.71 -0.48 0.00 0.00 0.00 175.76 176.28 1pjw s LEU 5 N -3.68 5.97 -0.12 0.00 2.34 -1.26 -5.05 118.68 116.88 1pjw s LEU 5 Ca 0.43 -3.08 -0.05 0.00 0.06 0.00 0.00 54.13 51.50 1pjw s LEU 5 Cb -0.11 -2.03 -0.04 0.00 -0.56 0.00 0.00 46.19 43.45 1pjw s LEU 5 CO 0.31 -0.39 0.05 -1.59 -1.06 0.00 0.00 176.35 173.67 1pjw s LYS 6 N -0.41 3.36 -0.11 1.48 -2.85 -1.26 -5.10 119.74 114.85 1pjw s LYS 6 Ca 0.21 -0.32 0.03 0.00 -1.00 0.00 0.00 55.97 54.89 1pjw s LYS 6 Cb -0.13 -3.00 0.01 0.00 -2.06 0.00 0.00 37.83 32.65 1pjw s LYS 6 CO -0.08 0.61 -0.18 0.20 0.10 0.00 0.00 175.35 176.00 1pjw s GLY 7 N -0.59 1.15 1.15 0.59 0.00 -1.26 -5.12 107.32 103.23 1pjw s GLY 7 Ca 0.11 -0.82 -0.13 0.00 0.00 0.00 0.00 44.72 43.88 1pjw s GLY 7 CO 0.02 0.01 0.99 -1.30 0.00 0.00 0.00 173.10 172.82 1pjw n THR 8 N 3.93 0.00 -1.51 0.90 -2.24 -1.26 -4.62 114.28 109.48 1pjw n THR 8 Ca -0.20 -0.39 -0.31 0.00 -2.27 0.00 0.00 64.05 60.88 1pjw n THR 8 Cb 0.52 -0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 67.62 1pjw n THR 8 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pjw n THR 9 N -4.89 -0.01 -3.92 4.28 -2.24 -1.26 -4.87 114.28 101.37 1pjw n THR 9 Ca 0.04 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 1pjw n THR 9 Cb 0.54 -0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 67.84 1pjw n THR 9 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1pjw s TYR 10 N 7.33 2.70 -0.22 4.78 2.02 -1.26 -5.11 117.35 127.59 1pjw s TYR 10 Ca 1.24 -0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 57.41 1pjw s TYR 10 Cb -0.83 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 38.79 1pjw s TYR 10 CO 0.43 0.14 0.04 0.20 -1.57 0.00 0.00 175.55 174.79 1pjw s GLY 11 N -3.96 1.76 -0.21 0.71 0.00 -1.26 -5.07 107.32 99.29 1pjw s GLY 11 Ca 0.42 -1.02 -0.26 0.00 0.00 0.00 0.00 44.72 43.86 1pjw s GLY 11 CO 0.25 0.34 0.90 -3.16 0.00 0.00 0.00 173.10 171.42 1pjw s MET 12 N 1.18 4.26 -0.25 2.90 0.23 -1.26 -3.92 119.30 122.44 1pjw s MET 12 Ca 0.04 1.10 -0.02 0.00 -1.03 0.00 0.00 55.69 55.78 1pjw s MET 12 Cb -0.14 -3.61 0.12 0.00 -1.53 0.00 0.00 34.83 29.66 1pjw s MET 12 CO 0.02 -0.47 0.30 0.00 -2.03 0.00 0.00 175.02 172.84 1pjw n THR 14 N 5.33 0.00 0.06 0.00 -1.04 -1.11 -3.46 114.28 114.07 1pjw n THR 14 Ca -0.03 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.01 1pjw n THR 14 Cb 0.48 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.20 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 0.05 -1.35 -2.82 -0.00 -1.26 -3.52 120.64 111.74 1pjw n GLU 15 Ca 0.00 0.51 -0.39 0.00 -0.00 0.00 0.00 57.16 57.28 1pjw n GLU 15 Cb 0.43 -1.73 -0.03 0.00 -0.00 0.00 0.00 31.44 30.11 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 -1.74 3.66 -3.57 3.44 4.01 -1.26 -4.75 118.16 117.95 1pjw n LYS 16 Ca -0.00 -2.25 -0.32 0.00 -0.51 0.00 0.00 58.31 55.23 1pjw n LYS 16 Cb 0.08 -2.83 -0.05 0.00 -0.51 0.00 0.00 35.03 31.72 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 2.20 3.47 -0.03 2.13 0.40 -1.23 -2.10 117.98 122.81 1pjw s PHE 17 Ca 0.68 0.69 0.04 0.00 -0.60 0.00 0.00 56.93 57.75 1pjw s PHE 17 Cb 0.18 -2.11 -0.00 0.00 0.51 0.00 0.00 43.02 41.59 1pjw s PHE 17 CO -0.06 0.39 -0.15 0.45 0.70 0.00 0.00 175.22 176.54 1pjw s SER 18 N -2.32 1.94 -0.35 1.36 0.15 0.36 -4.90 113.70 109.93 1pjw s SER 18 Ca 0.42 -0.31 -0.26 0.00 0.70 0.00 0.00 55.95 56.50 1pjw s SER 18 Cb -0.12 -0.47 0.01 0.00 -1.71 0.00 0.00 66.02 63.73 1pjw s SER 18 CO 0.23 0.15 0.94 -0.36 1.20 0.00 0.00 173.24 175.39 1pjw s PHE 19 N -0.02 3.11 -0.18 3.44 0.08 -1.26 -1.36 117.98 121.79 1pjw s PHE 19 Ca -0.02 0.87 0.07 0.00 0.12 0.00 0.00 56.93 57.97 1pjw s PHE 19 Cb -0.10 -3.61 -0.16 0.00 -0.57 0.00 0.00 43.02 38.59 1pjw s PHE 19 CO 0.01 -0.78 -0.08 0.00 -0.10 0.00 0.00 175.22 174.27 1pjw n ALA 20 N 6.73 1.59 -2.97 5.36 0.00 0.17 -4.93 120.51 126.46 1pjw n ALA 20 Ca 0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 1pjw n ALA 20 Cb 0.48 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.39 0.69 0.92 0.00 1.02 -1.10 -4.99 119.74 113.90 1pjw s LYS 21 Ca -0.19 -0.52 -0.12 0.00 0.02 0.00 0.00 55.97 55.17 1pjw s LYS 21 Cb 0.06 0.29 0.15 0.00 -0.52 0.00 0.00 37.83 37.81 1pjw s LYS 21 CO 0.53 -0.20 1.09 0.54 -0.92 0.00 0.00 175.35 176.39 1pjw s ASN 22 N -1.89 3.18 0.33 2.83 4.22 -1.26 -4.07 114.94 118.28 1pjw s ASN 22 Ca -0.07 1.53 -0.28 0.00 -2.14 0.00 0.00 52.86 51.90 1pjw s ASN 22 Cb -0.02 -2.20 -0.09 0.00 1.28 0.00 0.00 41.25 40.21 1pjw s ASN 22 CO -0.02 -2.83 1.16 -2.16 -2.04 0.00 0.00 177.10 171.21 1pjw s PRO 23 N -4.87 4.38 0.16 3.55 0.04 -1.26 -4.69 135.00 132.32 1pjw s PRO 23 Ca 0.64 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1pjw s PRO 23 Cb -0.19 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1pjw s PRO 23 CO 0.58 -0.04 0.04 0.00 0.04 0.00 0.00 177.00 177.62 1pjw s ALA 24 N -1.27 1.13 0.40 8.56 0.00 -0.33 -4.89 121.76 125.36 1pjw s ALA 24 Ca 0.50 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1pjw s ALA 24 Cb -0.32 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1pjw s ALA 24 CO 0.42 -0.43 0.67 0.16 0.00 0.00 0.00 175.76 176.58 1pjw s ASP 25 N -3.12 6.31 0.00 0.00 1.47 -1.26 -0.05 116.67 120.02 1pjw s ASP 25 Ca 0.26 0.73 0.00 0.00 1.18 0.00 0.00 52.55 54.72 1pjw s ASP 25 Cb 0.07 -2.16 0.00 0.00 -0.34 0.00 0.00 42.92 40.49 1pjw s ASP 25 CO 0.04 -0.42 0.00 0.35 0.68 0.00 0.00 175.17 175.82 1pjw n THR 26 N -1.87 0.00 0.00 2.11 -2.24 -1.04 -4.85 114.28 106.39 1pjw n THR 26 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1pjw n THR 26 Cb 0.55 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 2.00 2.73 2.75 3.38 0.00 -1.26 -5.06 105.19 109.71 1pjw n GLY 27 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 2.15 2.13 0.00 1.61 2.46 -1.26 -4.75 115.29 117.63 1pjw s HIS 28 Ca 0.00 -2.44 0.00 0.00 0.47 0.00 0.00 55.06 53.09 1pjw s HIS 28 Cb 0.00 -2.00 0.00 0.00 -0.13 0.00 0.00 32.58 30.45 1pjw s HIS 28 CO 0.00 -0.80 0.00 0.41 -2.47 0.00 0.00 174.74 171.88 1pjw n GLY 29 N 3.67 1.56 2.68 1.59 0.00 -1.26 -5.08 105.19 108.36 1pjw n GLY 29 Ca 0.07 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.02 0.24 0.12 2.61 -4.23 -1.26 -4.34 115.64 106.76 1pjw s THR 30 Ca 0.00 -0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 60.10 1pjw s THR 30 Cb 0.00 -0.81 -0.05 0.00 1.34 0.00 0.00 72.50 72.97 1pjw s THR 30 CO 0.00 -0.23 0.36 -0.69 -0.54 0.00 0.00 174.62 173.51 1pjw s VAL 31 N 1.99 5.19 0.09 2.29 1.01 -0.05 -2.48 120.40 128.43 1pjw s VAL 31 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1pjw s VAL 31 Cb -0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1pjw s VAL 31 CO -0.08 0.09 -0.22 0.68 0.00 0.00 0.00 175.10 175.57 1pjw s VAL 32 N -1.60 1.79 -0.08 2.92 -7.23 0.93 -1.86 120.40 115.28 1pjw s VAL 32 Ca 0.39 -1.48 -0.10 0.00 -1.81 0.00 0.00 61.98 58.98 1pjw s VAL 32 Cb -0.12 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.24 1pjw s VAL 32 CO 0.24 0.04 0.26 -0.51 -0.31 0.00 0.00 175.10 174.82 1pjw s ILE 33 N -1.04 0.02 -0.42 -0.62 1.10 -0.97 -1.18 121.20 118.07 1pjw s ILE 33 Ca 0.08 -0.13 -0.06 0.00 -0.51 0.00 0.00 60.65 60.02 1pjw s ILE 33 Cb -0.10 -0.41 0.10 0.00 0.15 0.00 0.00 42.46 42.20 1pjw s ILE 33 CO 0.04 -0.07 0.25 -0.70 -2.11 0.00 0.00 174.94 172.34 1pjw s GLU 34 N -0.21 2.34 -0.04 3.50 2.12 -1.26 -1.44 118.70 123.72 1pjw s GLU 34 Ca -0.03 -1.67 0.07 0.00 0.36 0.00 0.00 54.97 53.70 1pjw s GLU 34 Cb -0.03 -3.72 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 1pjw s GLU 34 CO 0.01 -1.05 -0.24 -0.51 -0.54 0.00 0.00 175.26 172.93 1pjw s LEU 35 N 1.29 2.05 -0.07 2.70 1.02 -0.62 -0.65 118.68 124.39 1pjw s LEU 35 Ca 0.05 -0.47 -0.18 0.00 0.02 0.00 0.00 54.13 53.55 1pjw s LEU 35 Cb -0.24 -1.30 -0.05 0.00 0.02 0.00 0.00 46.19 44.63 1pjw s LEU 35 CO -0.01 0.27 0.49 -0.44 0.02 0.00 0.00 176.35 176.68 1pjw s SER 36 N -0.37 6.77 -0.71 2.29 0.01 -0.46 0.22 113.70 121.45 1pjw s SER 36 Ca 0.03 0.91 -0.17 0.00 1.31 0.00 0.00 55.95 58.03 1pjw s SER 36 Cb -0.11 -2.30 0.14 0.00 0.21 0.00 0.00 66.02 63.96 1pjw s SER 36 CO 0.01 0.08 0.76 -0.47 0.41 0.00 0.00 173.24 174.03 1pjw s TYR 37 N 0.17 3.27 -1.14 2.43 5.04 -0.98 -0.49 117.35 125.64 1pjw s TYR 37 Ca 0.27 -1.37 -0.06 0.00 -2.44 0.00 0.00 57.07 53.47 1pjw s TYR 37 Cb -0.16 -3.98 0.26 0.00 0.35 0.00 0.00 41.96 38.44 1pjw s TYR 37 CO 0.12 -1.20 1.63 -1.13 -1.34 0.00 0.00 175.55 173.63 1pjw n SER 38 N 5.55 6.08 -4.53 4.32 3.41 -0.89 -4.04 113.62 123.51 1pjw n SER 38 Ca 0.02 -3.33 -0.34 0.00 -0.26 0.00 0.00 58.87 54.96 1pjw n SER 38 Cb 0.44 -1.33 -0.12 0.00 -0.26 0.00 0.00 64.21 62.95 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 -0.97 1.70 -0.03 5.00 0.00 -1.26 -4.90 107.32 106.86 1pjw s GLY 39 Ca 0.34 -0.86 0.06 0.00 0.00 0.00 0.00 44.72 44.26 1pjw s GLY 39 CO 0.07 -0.38 1.07 -1.14 0.00 0.00 0.00 173.10 172.71 1pjw n SER 40 N 2.85 1.66 0.01 1.64 3.41 -1.26 -3.58 113.62 118.35 1pjw n SER 40 Ca -0.18 -2.10 0.11 0.00 -0.26 0.00 0.00 58.87 56.44 1pjw n SER 40 Cb 0.53 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 64.04 1pjw n SER 40 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pjw n ASP 41 N 0.18 0.13 0.00 4.04 -0.08 -1.26 -5.09 116.55 114.46 1pjw n ASP 41 Ca 0.08 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1pjw n ASP 41 Cb 0.32 1.76 0.00 0.00 2.34 0.00 0.00 41.12 45.54 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pjw n GLY 42 N 1.25 -1.28 3.76 0.27 0.00 -1.23 -4.97 105.19 102.98 1pjw n GLY 42 Ca -0.03 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 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 4.56 0.02 1.61 0.04 -1.26 -4.92 135.00 135.05 1pjw s PRO 43 Ca 0.00 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 1pjw s PRO 43 Cb 0.00 -3.13 0.10 0.00 0.04 0.00 0.00 34.50 31.51 1pjw s PRO 43 CO 0.00 0.13 0.92 0.00 0.04 0.00 0.00 177.00 178.09 1pjw n LYS 45 N -0.29 2.70 -3.15 0.00 4.76 -1.25 -3.65 118.16 117.28 1pjw n LYS 45 Ca -0.08 0.95 -0.43 0.00 -2.87 0.00 0.00 58.31 55.88 1pjw n LYS 45 Cb 0.61 -2.71 -0.07 0.00 -1.84 0.00 0.00 35.03 31.03 1pjw n LYS 45 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1pjw s ILE 46 N -0.73 4.88 -0.80 -0.18 1.01 0.59 -0.02 121.20 125.95 1pjw s ILE 46 Ca 0.57 -0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.88 1pjw s ILE 46 Cb -0.48 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 37.80 1pjw s ILE 46 CO 0.58 -0.61 1.59 -2.16 0.00 0.00 0.00 174.94 174.34 1pjw s PRO 47 N 2.67 3.02 0.03 2.79 0.04 -1.26 -4.72 135.00 137.57 1pjw s PRO 47 Ca 0.19 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.05 1pjw s PRO 47 Cb -0.16 -4.65 -0.02 0.00 0.04 0.00 0.00 34.50 29.72 1pjw s PRO 47 CO 0.17 -2.53 -0.11 0.42 0.04 0.00 0.00 177.00 174.99 1pjw s ILE 48 N 7.20 0.86 -0.11 0.56 1.01 -1.26 -2.06 121.20 127.40 1pjw s ILE 48 Ca 0.52 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1pjw s ILE 48 Cb -0.07 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1pjw s ILE 48 CO 0.08 -0.06 -0.17 0.68 0.00 0.00 0.00 174.94 175.48 1pjw s VAL 49 N -0.83 2.74 -0.38 2.92 -7.23 -0.66 -4.96 120.40 112.00 1pjw s VAL 49 Ca -0.01 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.37 1pjw s VAL 49 Cb -0.07 -2.11 0.10 0.00 0.56 0.00 0.00 36.38 34.85 1pjw s VAL 49 CO 0.01 0.54 0.15 -0.44 -0.31 0.00 0.00 175.10 175.05 1pjw s SER 50 N 0.25 5.11 0.15 4.85 0.01 -1.26 -2.06 113.70 120.74 1pjw s SER 50 Ca -0.11 -1.96 0.05 0.00 1.31 0.00 0.00 55.95 55.23 1pjw s SER 50 Cb -0.16 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1pjw s SER 50 CO 0.06 -0.48 -0.11 0.68 0.41 0.00 0.00 173.24 173.81 1pjw s VAL 51 N 1.11 1.22 1.03 3.43 -7.23 -1.00 0.31 120.40 119.26 1pjw s VAL 51 Ca 0.07 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.06 1pjw s VAL 51 Cb -0.22 -1.84 0.14 0.00 0.56 0.00 0.00 36.38 35.02 1pjw s VAL 51 CO -0.05 -0.72 0.67 0.00 -0.31 0.00 0.00 175.10 174.69 1pjw n ALA 52 N -0.17 -2.49 -1.85 1.32 0.00 -1.26 0.27 120.51 116.33 1pjw n ALA 52 Ca -0.10 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.05 1pjw n ALA 52 Cb 0.60 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1pjw n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pjw s SER 53 N -2.24 6.55 -0.11 0.00 0.15 0.19 -2.06 113.70 116.18 1pjw s SER 53 Ca 0.62 2.51 -0.00 0.00 0.70 0.00 0.00 55.95 59.79 1pjw s SER 53 Cb -0.21 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1pjw s SER 53 CO 0.64 -0.96 0.00 -0.11 1.20 0.00 0.00 173.24 174.02 1pjw n LEU 54 N 6.49 -1.09 -3.52 3.45 0.00 -1.26 -4.85 117.00 116.23 1pjw n LEU 54 Ca 0.18 -0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.90 1pjw n LEU 54 Cb 0.41 -0.66 -0.11 0.00 0.00 0.00 0.00 43.42 43.06 1pjw n LEU 54 CO 0.64 -0.01 -0.28 0.20 0.00 0.00 0.00 177.39 177.94 1pjw s ASN 55 N -2.94 2.59 0.00 1.96 0.01 -0.88 -4.92 114.94 110.76 1pjw s ASN 55 Ca 0.00 -2.81 0.17 0.00 -0.71 0.00 0.00 52.86 49.51 1pjw s ASN 55 Cb -0.00 -0.64 0.43 0.00 0.41 0.00 0.00 41.25 41.45 1pjw s ASN 55 CO 0.00 -0.22 1.35 0.47 -1.51 0.00 0.00 177.10 177.19 1pjw n ASP 56 N 3.23 3.32 -0.01 -1.22 8.00 -1.26 -4.30 116.55 124.30 1pjw n ASP 56 Ca 0.20 -1.96 0.09 0.00 0.71 0.00 0.00 54.79 53.83 1pjw n ASP 56 Cb 0.41 -0.31 -0.13 0.00 -0.02 0.00 0.00 41.12 41.07 1pjw n ASP 56 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1pjw n MET 57 N 1.08 0.67 -4.01 -1.24 1.56 -1.26 -4.93 117.12 108.99 1pjw n MET 57 Ca 0.17 -0.13 -0.19 0.00 -0.27 0.00 0.00 57.70 57.28 1pjw n MET 57 Cb 0.51 -1.40 -0.16 0.00 2.15 0.00 0.00 33.22 34.32 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 -3.13 0.35 0.14 1.12 2.01 -1.26 -5.12 115.64 109.75 1pjw s THR 58 Ca -0.04 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 1pjw s THR 58 Cb 0.12 -0.42 -0.08 0.00 0.01 0.00 0.00 72.50 72.13 1pjw s THR 58 CO 0.73 0.19 1.27 -2.16 -0.69 0.00 0.00 174.62 173.97 1pjw s PRO 59 N 1.09 4.41 0.00 4.92 0.04 -1.26 -4.71 135.00 139.49 1pjw s PRO 59 Ca -0.09 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1pjw s PRO 59 Cb -0.14 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1pjw s PRO 59 CO -0.01 -0.26 0.00 0.28 0.04 0.00 0.00 177.00 177.05 1pjw n VAL 60 N 3.27 0.00 -2.37 -0.36 0.31 -1.18 -5.00 118.33 113.00 1pjw n VAL 60 Ca 0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.06 1pjw n VAL 60 Cb 0.44 -0.35 -0.01 0.00 -0.91 0.00 0.00 33.84 33.01 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 -3.89 2.61 0.04 2.92 0.00 0.91 -4.67 107.32 105.25 1pjw s GLY 61 Ca 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 44.72 45.46 1pjw s GLY 61 CO 0.00 1.12 0.00 0.50 0.00 0.00 0.00 173.10 174.72 1pjw s ARG 62 N -3.16 0.56 -0.15 2.90 0.52 -1.25 -4.41 118.95 113.95 1pjw s ARG 62 Ca 0.69 -1.00 -0.16 0.00 -0.52 0.00 0.00 55.73 54.75 1pjw s ARG 62 Cb -0.22 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 1pjw s ARG 62 CO 0.25 -0.11 0.37 -0.51 0.02 0.00 0.00 175.30 175.32 1pjw s LEU 63 N -2.48 4.25 0.00 2.53 1.02 -1.26 0.12 118.68 122.85 1pjw s LEU 63 Ca 0.00 0.62 0.09 0.00 0.02 0.00 0.00 54.13 54.86 1pjw s LEU 63 Cb 0.02 -2.51 0.51 0.00 0.02 0.00 0.00 46.19 44.24 1pjw s LEU 63 CO -0.07 0.04 1.32 0.52 0.02 0.00 0.00 176.35 178.18 1pjw n VAL 64 N 3.70 0.00 -4.29 -1.59 0.31 -0.36 -4.80 118.33 111.29 1pjw n VAL 64 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.99 1pjw n VAL 64 Cb 0.52 -0.14 -0.08 0.00 -0.91 0.00 0.00 33.84 33.23 1pjw n VAL 64 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1pjw s THR 65 N -2.00 2.48 0.05 2.52 -4.23 -1.26 -4.98 115.64 108.23 1pjw s THR 65 Ca 0.13 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1pjw s THR 65 Cb 0.06 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 71.01 1pjw s THR 65 CO 0.10 -0.11 0.03 1.33 -0.54 0.00 0.00 174.62 175.42 1pjw n VAL 66 N -1.06 0.00 -1.40 2.29 0.24 -1.26 -4.78 118.33 112.35 1pjw n VAL 66 Ca -0.03 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.88 1pjw n VAL 66 Cb 0.63 -0.03 0.03 0.00 -1.47 0.00 0.00 33.84 33.00 1pjw n VAL 66 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1pjw n ASN 67 N -1.97 -1.80 -4.56 -1.34 0.23 -1.26 -4.75 115.26 99.82 1pjw n ASN 67 Ca 0.00 0.72 -0.31 0.00 -0.53 0.00 0.00 54.58 54.46 1pjw n ASN 67 Cb 0.02 -1.08 -0.04 0.00 -2.08 0.00 0.00 39.78 36.60 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 -1.76 2.79 -0.23 -0.53 0.04 -1.26 -4.88 135.00 129.16 1pjw s PRO 68 Ca 0.65 -0.39 -0.09 0.00 0.04 0.00 0.00 61.00 61.21 1pjw s PRO 68 Cb -0.46 -5.05 0.10 0.00 0.04 0.00 0.00 34.50 29.13 1pjw s PRO 68 CO 0.58 -3.05 0.51 0.12 0.04 0.00 0.00 177.00 175.19 1pjw s PHE 69 N 8.83 -0.98 -1.17 0.56 5.36 -1.26 0.22 117.98 129.54 1pjw s PHE 69 Ca 0.64 1.81 -0.03 0.00 -0.96 0.00 0.00 56.93 58.38 1pjw s PHE 69 Cb -0.06 0.48 0.23 0.00 -0.34 0.00 0.00 43.02 43.34 1pjw s PHE 69 CO -0.01 -0.53 2.05 1.55 -1.46 0.00 0.00 175.22 176.82 1pjw n VAL 70 N 5.24 5.65 -2.27 3.12 3.14 -1.24 -4.92 118.33 127.06 1pjw n VAL 70 Ca -0.12 -5.22 -0.34 0.00 -2.96 0.00 0.00 64.34 55.71 1pjw n VAL 70 Cb 0.50 -1.83 -0.04 0.00 -1.06 0.00 0.00 33.84 31.42 1pjw n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pjw s ALA 71 N -2.73 2.34 0.01 1.55 0.00 -1.26 -4.54 121.76 117.12 1pjw s ALA 71 Ca 0.45 -2.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.06 1pjw s ALA 71 Cb 0.18 -4.64 -0.01 0.00 0.00 0.00 0.00 23.12 18.65 1pjw s ALA 71 CO -0.10 -4.43 0.07 0.99 0.00 0.00 0.00 175.76 172.29 1pjw s THR 72 N 8.23 0.08 -0.33 0.00 2.01 -1.26 -5.01 115.64 119.36 1pjw s THR 72 Ca 0.62 -0.70 0.25 0.00 0.31 0.00 0.00 61.69 62.18 1pjw s THR 72 Cb -0.00 -0.34 0.27 0.00 0.01 0.00 0.00 72.50 72.44 1pjw s THR 72 CO 0.07 -0.38 1.76 -1.28 -0.69 0.00 0.00 174.62 174.10 1pjw h SER 73 N 4.60 0.00 0.00 3.53 0.87 -2.05 -2.69 113.55 117.81 1pjw h SER 73 Ca -0.31 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1pjw h SER 73 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1pjw h SER 73 CO 0.41 0.00 -0.19 -1.20 -0.53 0.00 0.00 176.83 175.32 1pjw n SER 74 N -2.38 2.04 0.00 6.23 7.64 -1.26 -4.70 113.62 121.19 1pjw n SER 74 Ca 0.01 -3.29 0.09 0.00 1.01 0.00 0.00 58.87 56.69 1pjw n SER 74 Cb 0.21 -0.45 0.51 0.00 -1.01 0.00 0.00 64.21 63.47 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 2.22 0.27 -0.43 0.00 -1.02 -3.00 120.51 117.29 1pjw n ALA 75 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 1pjw n ALA 75 Cb 0.67 -1.28 0.11 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.93 2.95 -2.36 0.00 3.02 -1.26 -3.66 115.26 113.02 1pjw n ASN 76 Ca 0.13 -2.44 -0.09 0.00 -0.03 0.00 0.00 54.58 52.15 1pjw n ASN 76 Cb 0.06 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.62 1pjw n ASN 76 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pjw n SER 77 N 0.09 1.29 -4.56 6.41 3.41 -1.16 -4.59 113.62 114.51 1pjw n SER 77 Ca 0.15 -1.71 -0.18 0.00 -0.26 0.00 0.00 58.87 56.87 1pjw n SER 77 Cb 0.73 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.91 1pjw n SER 77 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1pjw s LYS 78 N -2.52 1.88 1.01 4.33 1.02 -1.26 -2.32 119.74 121.87 1pjw s LYS 78 Ca 0.06 0.11 -0.16 0.00 0.02 0.00 0.00 55.97 56.00 1pjw s LYS 78 Cb 0.00 -4.90 0.21 0.00 -0.52 0.00 0.00 37.83 32.62 1pjw s LYS 78 CO 0.04 -4.21 1.23 0.14 -0.92 0.00 0.00 175.35 171.62 1pjw s VAL 79 N 13.47 1.89 -0.08 3.17 -7.23 0.13 -4.71 120.40 127.04 1pjw s VAL 79 Ca 0.84 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 61.03 1pjw s VAL 79 Cb -0.10 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 34.03 1pjw s VAL 79 CO 0.06 0.00 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.50 1pjw s LEU 80 N -6.17 1.65 0.44 1.32 0.20 -1.26 -1.59 118.68 113.27 1pjw s LEU 80 Ca 0.71 -0.34 0.06 0.00 0.69 0.00 0.00 54.13 55.25 1pjw s LEU 80 Cb -0.08 -0.91 -0.04 0.00 -0.43 0.00 0.00 46.19 44.73 1pjw s LEU 80 CO 0.54 0.03 0.15 -0.69 -0.29 0.00 0.00 176.35 176.08 1pjw s VAL 81 N 0.78 2.01 -0.10 1.68 1.01 -0.52 -4.96 120.40 120.30 1pjw s VAL 81 Ca -0.12 -1.77 -0.10 0.00 0.00 0.00 0.00 61.98 59.99 1pjw s VAL 81 Cb -0.16 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1pjw s VAL 81 CO 0.02 0.00 0.29 -1.61 0.00 0.00 0.00 175.10 173.80 1pjw s GLU 82 N -3.91 0.36 -0.06 2.72 2.02 -1.26 -2.30 118.70 116.27 1pjw s GLU 82 Ca 0.34 0.35 -0.17 0.00 0.02 0.00 0.00 54.97 55.52 1pjw s GLU 82 Cb 0.04 0.17 0.03 0.00 0.10 0.00 0.00 34.13 34.48 1pjw s GLU 82 CO 0.19 -0.05 0.39 0.00 0.02 0.00 0.00 175.26 175.81 1pjw s MET 83 N 0.04 0.66 -0.90 1.61 0.23 -0.78 -1.23 119.30 118.93 1pjw s MET 83 Ca -0.01 0.11 -0.01 0.00 -1.03 0.00 0.00 55.69 54.75 1pjw s MET 83 Cb -0.02 0.30 0.25 0.00 -1.53 0.00 0.00 34.83 33.83 1pjw s MET 83 CO 0.01 -0.16 0.97 -0.85 -2.03 0.00 0.00 175.02 172.96 1pjw n GLU 84 N 1.74 3.12 -1.52 3.16 0.28 0.12 -0.87 120.64 126.67 1pjw n GLU 84 Ca -0.19 -4.54 -0.31 0.00 -0.16 0.00 0.00 57.16 51.96 1pjw n GLU 84 Cb 0.56 -2.41 0.06 0.00 1.43 0.00 0.00 31.44 31.08 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 -1.96 2.76 0.49 3.44 0.04 -1.26 -3.94 135.00 134.58 1pjw s PRO 85 Ca 0.31 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 1pjw s PRO 85 Cb 0.00 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1pjw s PRO 85 CO -0.04 -1.24 1.12 -1.25 0.04 0.00 0.00 177.00 175.63 1pjw s PRO 86 N -4.90 3.63 0.32 0.56 0.04 -1.26 -4.96 135.00 128.43 1pjw s PRO 86 Ca 0.60 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.96 1pjw s PRO 86 Cb -0.15 -2.20 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 1pjw s PRO 86 CO 0.53 -0.62 1.51 1.19 0.04 0.00 0.00 177.00 179.65 1pjw n PHE 87 N -0.87 2.78 0.00 0.56 3.72 -1.26 -4.51 117.46 117.88 1pjw n PHE 87 Ca 0.09 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.86 1pjw n PHE 87 Cb 0.50 -2.54 0.00 0.00 -0.94 0.00 0.00 39.48 36.50 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 1.44 0.13 3.35 1.37 0.00 -1.26 -5.02 105.19 105.20 1pjw n GLY 88 Ca 0.06 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 1pjw n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pjw s ASP 89 N -4.00 3.13 -0.03 1.61 -1.08 -1.26 -4.44 116.67 110.60 1pjw s ASP 89 Ca 0.00 -0.63 -0.02 0.00 -0.52 0.00 0.00 52.55 51.38 1pjw s ASP 89 Cb 0.00 -0.26 0.01 0.00 -1.46 0.00 0.00 42.92 41.21 1pjw s ASP 89 CO 0.00 0.22 0.07 -0.44 0.52 0.00 0.00 175.17 175.54 1pjw s SER 90 N -1.47 -0.05 -0.31 -0.34 0.01 -0.60 0.56 113.70 111.49 1pjw s SER 90 Ca 0.12 0.13 -0.13 0.00 1.31 0.00 0.00 55.95 57.38 1pjw s SER 90 Cb -0.10 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 1pjw s SER 90 CO 0.03 -0.05 0.26 -0.31 0.41 0.00 0.00 173.24 173.58 1pjw s TYR 91 N 0.30 3.22 -0.13 2.43 1.51 0.76 -0.28 117.35 125.17 1pjw s TYR 91 Ca -0.02 -0.00 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1pjw s TYR 91 Cb -0.03 -2.50 -0.03 0.00 -0.11 0.00 0.00 41.96 39.29 1pjw s TYR 91 CO -0.01 -0.30 -0.05 0.42 -1.11 0.00 0.00 175.55 174.50 1pjw s ILE 92 N 1.83 3.83 -0.14 2.71 1.09 -0.94 -2.38 121.20 127.21 1pjw s ILE 92 Ca 0.08 -0.40 0.01 0.00 -1.10 0.00 0.00 60.65 59.25 1pjw s ILE 92 Cb -0.17 -2.64 0.02 0.00 -1.06 0.00 0.00 42.46 38.61 1pjw s ILE 92 CO 0.11 0.53 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.65 1pjw s VAL 93 N -0.03 1.54 -0.45 2.92 1.01 -0.88 -0.15 120.40 124.36 1pjw s VAL 93 Ca 0.01 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1pjw s VAL 93 Cb -0.13 -1.44 0.11 0.00 0.00 0.00 0.00 36.38 34.91 1pjw s VAL 93 CO 0.03 0.45 0.31 -0.69 0.00 0.00 0.00 175.10 175.20 1pjw s VAL 94 N 1.36 4.20 0.24 2.92 1.01 0.55 -1.65 120.40 129.04 1pjw s VAL 94 Ca 0.02 -1.66 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 1pjw s VAL 94 Cb -0.13 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1pjw s VAL 94 CO -0.08 -0.68 0.56 -0.83 0.00 0.00 0.00 175.10 174.06 1pjw s GLY 95 N 2.47 0.16 -0.13 4.51 0.00 -0.87 -2.32 107.32 111.14 1pjw s GLY 95 Ca 0.05 -0.51 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 1pjw s GLY 95 CO 0.00 -0.36 -0.23 -0.13 0.00 0.00 0.00 173.10 172.38 1pjw n MET 96 N -0.39 0.36 0.00 2.90 1.56 -1.25 -4.41 117.12 115.89 1pjw n MET 96 Ca -0.05 0.15 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 1pjw n MET 96 Cb 0.61 -1.12 0.00 0.00 2.15 0.00 0.00 33.22 34.87 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 2.04 0.17 0.00 -5.12 0.00 -1.26 -5.06 105.19 95.96 1pjw n GLY 97 Ca -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.26 0.00 -4.70 1.61 9.92 -1.26 -4.90 116.55 115.95 1pjw n ASP 98 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1pjw n ASP 98 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 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 0.00 4.52 0.06 -1.24 -0.14 -1.26 -5.04 119.74 116.64 1pjw s LYS 99 Ca 0.00 1.43 0.04 0.00 -1.36 0.00 0.00 55.97 56.08 1pjw s LYS 99 Cb 0.00 -3.48 -0.03 0.00 -1.68 0.00 0.00 37.83 32.65 1pjw s LYS 99 CO 0.00 -0.12 -0.12 -1.14 -0.76 0.00 0.00 175.35 173.21 1pjw s GLN 100 N 1.26 0.72 -0.14 1.68 -0.44 -1.26 -3.87 119.66 117.60 1pjw s GLN 100 Ca 0.51 -0.87 0.01 0.00 -2.50 0.00 0.00 55.36 52.51 1pjw s GLN 100 Cb -0.21 -0.64 0.02 0.00 -1.64 0.00 0.00 33.01 30.54 1pjw s GLN 100 CO 0.26 0.14 -0.17 0.42 0.50 0.00 0.00 175.29 176.43 1pjw s ILE 101 N -1.28 1.76 -0.10 -2.34 -1.09 -0.98 -4.96 121.20 112.20 1pjw s ILE 101 Ca -0.05 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 57.59 1pjw s ILE 101 Cb -0.10 -1.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.15 1pjw s ILE 101 CO 0.02 0.49 -0.06 0.54 -1.23 0.00 0.00 174.94 174.70 1pjw s ASN 102 N 1.17 4.70 0.29 3.58 4.22 -1.26 -0.33 114.94 127.31 1pjw s ASN 102 Ca -0.01 -0.06 0.07 0.00 -2.14 0.00 0.00 52.86 50.73 1pjw s ASN 102 Cb -0.14 -1.39 -0.06 0.00 1.28 0.00 0.00 41.25 40.94 1pjw s ASN 102 CO -0.07 0.30 -0.07 -1.00 -2.04 0.00 0.00 177.10 174.22 1pjw s HIS 103 N -0.42 2.04 -0.65 1.54 3.76 0.78 -4.98 115.29 117.37 1pjw s HIS 103 Ca 0.06 -0.65 -0.01 0.00 -0.15 0.00 0.00 55.06 54.32 1pjw s HIS 103 Cb -0.12 -1.15 0.16 0.00 1.11 0.00 0.00 32.58 32.58 1pjw s HIS 103 CO 0.02 0.35 0.46 -1.01 -0.85 0.00 0.00 174.74 173.72 1pjw s HIS 104 N -2.92 3.43 -0.24 1.40 3.76 -1.26 -2.20 115.29 117.26 1pjw s HIS 104 Ca 0.30 -2.86 -0.28 0.00 -0.15 0.00 0.00 55.06 52.07 1pjw s HIS 104 Cb 0.03 -3.12 -0.05 0.00 1.11 0.00 0.00 32.58 30.55 1pjw s HIS 104 CO 0.13 -0.80 2.24 1.87 -0.85 0.00 0.00 174.74 177.33 1pjw n TRP 105 N 3.19 1.93 -3.67 1.40 -0.00 0.62 -4.88 117.44 116.03 1pjw n TRP 105 Ca 0.10 -0.11 -0.13 0.00 -0.00 0.00 0.00 57.50 57.36 1pjw n TRP 105 Cb 0.37 -2.72 -0.13 0.00 -0.00 0.00 0.00 31.31 28.83 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 8.55 -0.46 -0.61 5.87 2.46 -1.26 -1.56 115.29 128.28 1pjw s HIS 106 Ca 1.01 1.02 0.09 0.00 0.47 0.00 0.00 55.06 57.65 1pjw s HIS 106 Cb -0.34 0.00 -0.05 0.00 -0.13 0.00 0.00 32.58 32.07 1pjw s HIS 106 CO 0.35 -0.36 0.48 1.17 -2.47 0.00 0.00 174.74 173.91 1pjw n LYS 107 N 5.28 3.20 -4.14 2.88 0.00 -1.26 -4.97 118.16 119.15 1pjw n LYS 107 Ca -0.08 -0.27 -0.19 0.00 0.00 0.00 0.00 58.31 57.77 1pjw n LYS 107 Cb 0.50 -0.98 -0.16 0.00 0.00 0.00 0.00 35.03 34.39 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 -1.56 0.58 0.00 3.14 0.00 -1.26 -5.13 121.76 117.53 1pjw s ALA 108 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1pjw s ALA 108 Cb 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1pjw s ALA 108 CO 0.29 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1pjw n GLY 109 N 3.82 5.57 2.62 0.00 0.00 -1.26 -4.99 105.19 110.95 1pjw n GLY 109 Ca -0.23 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 -2.29 0.00 1.61 7.64 -1.26 -5.28 113.62 114.04 1pjw n SER 110 Ca 0.00 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.25 1pjw n SER 110 Cb 0.00 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.42 1pjw n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38