#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 0.64 0.22 0.11 2.47 -1.26 -5.15 119.74 116.77 1pjw s LYS 2 Ca 0.00 -1.03 -0.11 0.00 -1.56 0.00 0.00 55.97 53.27 1pjw s LYS 2 Cb 0.00 -0.16 -0.07 0.00 -1.46 0.00 0.00 37.83 36.14 1pjw s LYS 2 CO 0.00 -0.01 0.57 -1.17 0.16 0.00 0.00 175.35 174.90 1pjw s LEU 3 N -2.31 4.20 -0.93 5.43 1.98 -1.26 -5.00 118.68 120.78 1pjw s LEU 3 Ca 0.00 0.99 -0.23 0.00 -2.89 0.00 0.00 54.13 52.00 1pjw s LEU 3 Cb -0.02 -3.62 0.06 0.00 0.66 0.00 0.00 46.19 43.27 1pjw s LEU 3 CO -0.03 -0.04 1.33 0.00 -1.89 0.00 0.00 176.35 175.72 1pjw s ALA 4 N -1.75 2.85 0.13 5.97 0.00 -1.26 -4.98 121.76 122.71 1pjw s ALA 4 Ca 0.46 -2.14 0.07 0.00 0.00 0.00 0.00 51.96 50.35 1pjw s ALA 4 Cb -0.12 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.60 1pjw s ALA 4 CO 0.20 -3.40 -0.04 -1.17 0.00 0.00 0.00 175.76 171.35 1pjw s LEU 5 N 4.71 3.24 0.00 0.00 2.96 -1.26 -5.10 118.68 123.23 1pjw s LEU 5 Ca 0.40 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1pjw s LEU 5 Cb -0.03 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.69 1pjw s LEU 5 CO -0.04 0.14 0.03 1.17 -1.32 0.00 0.00 176.35 176.33 1pjw n LYS 6 N 0.35 1.05 -1.20 1.98 4.81 -1.26 -5.02 118.16 118.87 1pjw n LYS 6 Ca -0.11 -2.40 -0.25 0.00 -0.87 0.00 0.00 58.31 54.68 1pjw n LYS 6 Cb 0.53 0.82 0.02 0.00 0.02 0.00 0.00 35.03 36.43 1pjw n LYS 6 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pjw n GLY 7 N 0.79 4.64 3.41 3.14 0.00 -1.26 -4.98 105.19 110.92 1pjw n GLY 7 Ca -0.11 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1pjw n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pjw n THR 8 N 0.15 0.00 -1.13 2.61 -1.04 -1.26 -4.85 114.28 108.76 1pjw n THR 8 Ca 0.43 -0.24 -0.36 0.00 -2.04 0.00 0.00 64.05 61.84 1pjw n THR 8 Cb 0.56 -0.72 0.06 0.00 -1.82 0.00 0.00 70.33 68.41 1pjw n THR 8 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1pjw n THR 9 N -4.19 0.76 -3.75 12.58 -2.24 -1.26 -4.93 114.28 111.26 1pjw n THR 9 Ca 0.05 -0.41 -0.37 0.00 -2.27 0.00 0.00 64.05 61.05 1pjw n THR 9 Cb 0.56 -0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 1pjw n THR 9 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1pjw s TYR 10 N -2.02 3.41 0.13 4.78 6.14 -1.26 -5.04 117.35 123.49 1pjw s TYR 10 Ca 0.57 -1.93 -0.01 0.00 0.64 0.00 0.00 57.07 56.34 1pjw s TYR 10 Cb -0.32 -2.79 -0.04 0.00 0.42 0.00 0.00 41.96 39.23 1pjw s TYR 10 CO 0.67 -0.87 0.31 0.20 0.64 0.00 0.00 175.55 176.50 1pjw s GLY 11 N 1.74 2.04 -0.58 8.97 0.00 -1.26 -4.98 107.32 113.24 1pjw s GLY 11 Ca 0.03 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 43.88 1pjw s GLY 11 CO -0.01 -0.74 0.45 1.06 0.00 0.00 0.00 173.10 173.86 1pjw s MET 12 N -2.85 2.70 0.31 2.90 -1.94 -1.26 -2.61 119.30 116.54 1pjw s MET 12 Ca 0.38 -2.13 0.02 0.00 -1.71 0.00 0.00 55.69 52.24 1pjw s MET 12 Cb -0.12 -3.95 0.02 0.00 2.01 0.00 0.00 34.83 32.79 1pjw s MET 12 CO 0.27 -1.20 0.18 0.00 -0.01 0.00 0.00 175.02 174.26 1pjw n THR 14 N -1.11 0.00 -0.01 0.00 -2.24 -1.25 -4.59 114.28 105.07 1pjw n THR 14 Ca -0.04 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.75 1pjw n THR 14 Cb 0.36 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1pjw n THR 14 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1pjw n GLU 15 N -1.52 2.40 -1.48 -0.78 2.13 -1.26 -3.18 120.64 116.95 1pjw n GLU 15 Ca 0.00 -1.42 -0.12 0.00 0.66 0.00 0.00 57.16 56.28 1pjw n GLU 15 Cb 0.00 -1.03 -0.10 0.00 0.27 0.00 0.00 31.44 30.58 1pjw n GLU 15 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1pjw n LYS 16 N -0.29 0.15 -3.61 5.31 5.02 -1.26 -4.77 118.16 118.70 1pjw n LYS 16 Ca 0.01 -1.24 -0.15 0.00 -2.02 0.00 0.00 58.31 54.92 1pjw n LYS 16 Cb 0.24 -3.33 -0.07 0.00 -0.02 0.00 0.00 35.03 31.85 1pjw n LYS 16 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1pjw s PHE 17 N 13.68 -0.75 -0.35 2.13 2.19 -1.26 -4.63 117.98 128.98 1pjw s PHE 17 Ca 0.73 1.74 0.01 0.00 0.33 0.00 0.00 56.93 59.74 1pjw s PHE 17 Cb -0.09 0.30 0.11 0.00 -1.31 0.00 0.00 43.02 42.03 1pjw s PHE 17 CO 0.16 -0.42 0.12 -1.12 1.83 0.00 0.00 175.22 175.79 1pjw s SER 18 N 0.05 4.16 -0.05 6.13 0.01 -0.24 -4.91 113.70 118.85 1pjw s SER 18 Ca -0.02 -2.04 -0.32 0.00 1.31 0.00 0.00 55.95 54.87 1pjw s SER 18 Cb -0.04 -1.14 -0.10 0.00 0.21 0.00 0.00 66.02 64.95 1pjw s SER 18 CO 0.03 -0.37 1.94 2.22 0.41 0.00 0.00 173.24 177.47 1pjw n PHE 19 N 4.34 2.39 -0.02 2.43 1.16 -1.26 -1.17 117.46 125.32 1pjw n PHE 19 Ca 0.02 -0.16 0.04 0.00 -1.87 0.00 0.00 57.45 55.48 1pjw n PHE 19 Cb 0.40 -2.72 -0.11 0.00 -1.61 0.00 0.00 39.48 35.44 1pjw n PHE 19 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1pjw n ALA 20 N 7.24 2.36 -3.11 1.98 0.00 0.64 -4.93 120.51 124.67 1pjw n ALA 20 Ca 0.22 -0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 1pjw n ALA 20 Cb 0.34 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.85 0.49 0.79 0.00 1.02 -1.13 -4.98 119.74 113.08 1pjw s LYS 21 Ca -0.05 -0.37 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 1pjw s LYS 21 Cb 0.08 0.20 0.07 0.00 -0.52 0.00 0.00 37.83 37.66 1pjw s LYS 21 CO 0.57 -0.12 1.11 -0.80 -0.92 0.00 0.00 175.35 175.19 1pjw s ASN 22 N -1.35 4.21 0.16 2.83 0.01 -1.26 -4.09 114.94 115.46 1pjw s ASN 22 Ca -0.14 1.93 -0.30 0.00 -0.71 0.00 0.00 52.86 53.63 1pjw s ASN 22 Cb -0.07 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 38.98 1pjw s ASN 22 CO 0.02 -2.23 1.20 -2.16 -1.51 0.00 0.00 177.10 172.41 1pjw s PRO 23 N -4.76 4.48 0.12 -0.60 0.04 -1.26 -4.68 135.00 128.34 1pjw s PRO 23 Ca 0.63 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.58 1pjw s PRO 23 Cb -0.19 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1pjw s PRO 23 CO 0.55 -0.12 -0.13 0.00 0.04 0.00 0.00 177.00 177.35 1pjw s ALA 24 N 0.14 1.39 0.33 8.56 0.00 0.06 -4.84 121.76 127.41 1pjw s ALA 24 Ca 0.54 -1.28 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 1pjw s ALA 24 Cb -0.32 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.67 1pjw s ALA 24 CO 0.35 0.05 0.81 0.34 0.00 0.00 0.00 175.76 177.31 1pjw s ASP 25 N -2.52 6.92 -0.02 0.00 2.15 -1.26 0.17 116.67 122.11 1pjw s ASP 25 Ca 0.09 1.47 0.08 0.00 0.43 0.00 0.00 52.55 54.61 1pjw s ASP 25 Cb -0.04 -2.44 0.13 0.00 -0.30 0.00 0.00 42.92 40.27 1pjw s ASP 25 CO 0.02 -0.19 1.06 0.35 -0.17 0.00 0.00 175.17 176.24 1pjw n THR 26 N -0.15 0.33 0.00 1.71 -2.24 0.17 -4.85 114.28 109.25 1pjw n THR 26 Ca 0.03 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1pjw n THR 26 Cb 0.53 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.14 -0.60 3.24 3.38 0.00 -1.26 -4.94 105.19 104.87 1pjw n GLY 27 Ca 0.04 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.48 3.56 0.00 1.61 2.46 -1.26 -4.46 115.29 115.72 1pjw s HIS 28 Ca 0.00 -2.12 0.00 0.00 0.47 0.00 0.00 55.06 53.41 1pjw s HIS 28 Cb 0.00 -3.58 0.00 0.00 -0.13 0.00 0.00 32.58 28.87 1pjw s HIS 28 CO 0.00 -0.95 0.00 0.41 -2.47 0.00 0.00 174.74 171.73 1pjw n GLY 29 N 4.10 0.45 3.00 1.59 0.00 -1.26 -5.03 105.19 108.04 1pjw n GLY 29 Ca 0.06 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.08 1.90 -0.03 2.61 -4.23 -1.26 -3.84 115.64 108.71 1pjw s THR 30 Ca 0.00 -1.61 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 1pjw s THR 30 Cb 0.00 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1pjw s THR 30 CO 0.00 -0.19 0.17 -0.69 -0.54 0.00 0.00 174.62 173.37 1pjw s VAL 31 N 1.19 5.43 0.10 2.29 1.01 -0.33 0.45 120.40 130.54 1pjw s VAL 31 Ca -0.03 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 61.93 1pjw s VAL 31 Cb -0.19 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1pjw s VAL 31 CO -0.07 0.37 -0.24 0.68 0.00 0.00 0.00 175.10 175.84 1pjw s VAL 32 N -1.28 1.98 0.06 2.92 -7.23 0.44 -1.59 120.40 115.70 1pjw s VAL 32 Ca 0.25 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.73 1pjw s VAL 32 Cb -0.13 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.07 1pjw s VAL 32 CO 0.16 0.07 0.24 -0.51 -0.31 0.00 0.00 175.10 174.76 1pjw s ILE 33 N -1.05 0.11 -0.29 -0.62 2.07 -0.91 -0.76 121.20 119.76 1pjw s ILE 33 Ca 0.10 -0.88 0.01 0.00 -1.41 0.00 0.00 60.65 58.48 1pjw s ILE 33 Cb -0.10 -1.04 0.08 0.00 0.13 0.00 0.00 42.46 41.54 1pjw s ILE 33 CO 0.04 -0.48 0.03 -0.70 -1.91 0.00 0.00 174.94 171.92 1pjw s GLU 34 N -2.94 1.27 -0.02 3.50 2.12 -1.26 -1.34 118.70 120.03 1pjw s GLU 34 Ca -0.02 -1.28 0.07 0.00 0.36 0.00 0.00 54.97 54.10 1pjw s GLU 34 Cb 0.01 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.80 1pjw s GLU 34 CO -0.06 -0.83 -0.24 -0.51 -0.54 0.00 0.00 175.26 173.09 1pjw s LEU 35 N 1.32 2.05 -0.09 2.70 1.02 -0.51 -0.26 118.68 124.92 1pjw s LEU 35 Ca 0.04 -0.43 -0.17 0.00 0.02 0.00 0.00 54.13 53.59 1pjw s LEU 35 Cb -0.18 -1.21 -0.05 0.00 0.02 0.00 0.00 46.19 44.76 1pjw s LEU 35 CO -0.13 0.29 0.44 -0.94 0.02 0.00 0.00 176.35 176.03 1pjw s SER 36 N -0.58 6.69 -0.54 2.29 1.04 -0.32 0.11 113.70 122.39 1pjw s SER 36 Ca 0.09 0.83 -0.19 0.00 0.48 0.00 0.00 55.95 57.16 1pjw s SER 36 Cb -0.09 -2.27 0.08 0.00 0.10 0.00 0.00 66.02 63.84 1pjw s SER 36 CO -0.01 0.10 0.64 -0.47 0.98 0.00 0.00 173.24 174.49 1pjw s TYR 37 N 0.12 3.04 -1.15 5.02 5.04 -1.00 -1.08 117.35 127.35 1pjw s TYR 37 Ca 0.24 -0.75 -0.06 0.00 -2.44 0.00 0.00 57.07 54.06 1pjw s TYR 37 Cb -0.15 -3.72 0.26 0.00 0.35 0.00 0.00 41.96 38.69 1pjw s TYR 37 CO 0.10 -1.13 1.63 0.45 -1.34 0.00 0.00 175.55 175.27 1pjw n SER 38 N 6.17 6.04 -4.41 4.32 2.88 -1.26 -4.09 113.62 123.27 1pjw n SER 38 Ca -0.08 -3.32 -0.33 0.00 -1.33 0.00 0.00 58.87 53.80 1pjw n SER 38 Cb 0.44 -1.34 -0.14 0.00 -0.75 0.00 0.00 64.21 62.43 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 -0.93 1.58 0.00 0.46 0.00 -1.26 -4.97 107.32 102.20 1pjw s GLY 39 Ca 0.34 -0.88 0.13 0.00 0.00 0.00 0.00 44.72 44.31 1pjw s GLY 39 CO 0.07 -0.20 1.43 -1.14 0.00 0.00 0.00 173.10 173.26 1pjw n SER 40 N 3.45 0.00 -0.76 1.64 3.41 -1.26 -2.92 113.62 117.18 1pjw n SER 40 Ca -0.18 -1.46 0.12 0.00 -0.26 0.00 0.00 58.87 57.10 1pjw n SER 40 Cb 0.53 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.71 2.49 0.00 4.04 2.03 -1.26 -5.05 116.55 118.09 1pjw n ASP 41 Ca 0.10 -1.77 0.00 0.00 0.52 0.00 0.00 54.79 53.63 1pjw n ASP 41 Cb 0.04 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pjw n GLY 42 N 1.34 0.32 3.72 0.27 0.00 -1.15 -4.78 105.19 104.92 1pjw n GLY 42 Ca 0.13 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 4.42 0.12 1.61 0.04 -1.26 -4.83 135.00 135.11 1pjw s PRO 43 Ca 0.00 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 1pjw s PRO 43 Cb 0.00 -3.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 1pjw s PRO 43 CO 0.00 -0.25 0.24 0.00 0.04 0.00 0.00 177.00 177.03 1pjw s LYS 45 N -3.89 3.40 -0.32 0.00 -0.14 -1.07 -2.74 119.74 114.98 1pjw s LYS 45 Ca 0.09 -0.11 -0.25 0.00 -1.36 0.00 0.00 55.97 54.33 1pjw s LYS 45 Cb 0.04 -3.97 0.01 0.00 -1.68 0.00 0.00 37.83 32.22 1pjw s LYS 45 CO -0.07 -1.25 0.88 0.42 -0.76 0.00 0.00 175.35 174.57 1pjw s ILE 46 N 3.57 4.69 -0.52 2.17 1.01 0.23 -2.54 121.20 129.81 1pjw s ILE 46 Ca 0.31 1.32 -0.28 0.00 0.00 0.00 0.00 60.65 62.01 1pjw s ILE 46 Cb -0.12 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 1pjw s ILE 46 CO 0.22 -0.36 1.66 -2.16 0.00 0.00 0.00 174.94 174.31 1pjw s PRO 47 N 3.22 3.09 0.11 2.79 0.04 -1.24 -4.38 135.00 138.62 1pjw s PRO 47 Ca 0.37 0.77 0.08 0.00 0.04 0.00 0.00 61.00 62.25 1pjw s PRO 47 Cb -0.13 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.14 1pjw s PRO 47 CO 0.14 -2.18 -0.19 0.42 0.04 0.00 0.00 177.00 175.23 1pjw s ILE 48 N 7.29 1.65 0.00 0.56 1.01 -1.26 -0.78 121.20 129.67 1pjw s ILE 48 Ca 0.65 -1.59 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1pjw s ILE 48 Cb -0.14 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 1pjw s ILE 48 CO 0.26 -0.14 -0.09 0.54 0.00 0.00 0.00 174.94 175.51 1pjw s VAL 49 N -1.38 0.74 -0.34 2.92 0.11 -0.62 -4.98 120.40 116.85 1pjw s VAL 49 Ca 0.07 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 1pjw s VAL 49 Cb -0.09 -0.64 0.08 0.00 -1.53 0.00 0.00 36.38 34.20 1pjw s VAL 49 CO 0.04 0.14 0.07 -0.44 -3.33 0.00 0.00 175.10 171.58 1pjw s SER 50 N -0.40 4.95 0.19 3.54 0.01 -1.26 -2.26 113.70 118.47 1pjw s SER 50 Ca 0.02 -1.70 0.04 0.00 1.31 0.00 0.00 55.95 55.62 1pjw s SER 50 Cb -0.04 -1.72 -0.05 0.00 0.21 0.00 0.00 66.02 64.42 1pjw s SER 50 CO -0.00 -0.37 -0.05 0.68 0.41 0.00 0.00 173.24 173.91 1pjw s VAL 51 N 1.14 1.05 1.03 3.43 -7.23 -0.99 0.27 120.40 119.10 1pjw s VAL 51 Ca 0.02 -2.04 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 1pjw s VAL 51 Cb -0.21 -2.10 0.13 0.00 0.56 0.00 0.00 36.38 34.77 1pjw s VAL 51 CO -0.04 -0.53 0.61 0.00 -0.31 0.00 0.00 175.10 174.83 1pjw n ALA 52 N -0.30 -2.61 -1.81 1.32 0.00 -1.26 0.18 120.51 116.03 1pjw n ALA 52 Ca -0.08 -0.87 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 1pjw n ALA 52 Cb 0.62 -1.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.20 6.38 -0.25 0.00 0.15 0.26 -2.00 113.70 116.05 1pjw s SER 53 Ca 0.61 2.34 -0.00 0.00 0.70 0.00 0.00 55.95 59.60 1pjw s SER 53 Cb -0.20 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1pjw s SER 53 CO 0.65 -1.15 0.01 -0.11 1.20 0.00 0.00 173.24 173.84 1pjw n LEU 54 N 8.02 -1.21 -3.55 3.45 0.00 -1.26 -4.82 117.00 117.63 1pjw n LEU 54 Ca 0.20 -0.01 -0.28 0.00 0.00 0.00 0.00 56.01 55.92 1pjw n LEU 54 Cb 0.42 -0.84 -0.11 0.00 0.00 0.00 0.00 43.42 42.89 1pjw n LEU 54 CO 0.66 -0.02 -0.27 0.20 0.00 0.00 0.00 177.39 177.96 1pjw s ASN 55 N -2.88 2.78 -0.18 1.96 -0.87 -0.85 -4.93 114.94 109.97 1pjw s ASN 55 Ca 0.01 -2.84 0.16 0.00 -1.57 0.00 0.00 52.86 48.61 1pjw s ASN 55 Cb -0.00 -0.72 0.68 0.00 -0.02 0.00 0.00 41.25 41.18 1pjw s ASN 55 CO 0.01 -0.22 1.59 0.47 -2.57 0.00 0.00 177.10 176.38 1pjw n ASP 56 N 3.20 4.80 -0.05 -1.22 8.00 -1.26 -4.23 116.55 125.79 1pjw n ASP 56 Ca 0.19 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.86 1pjw n ASP 56 Cb 0.40 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 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 0.31 0.86 -4.11 -1.24 1.56 -1.26 -4.96 117.12 108.28 1pjw n MET 57 Ca 0.24 -0.09 -0.16 0.00 -0.27 0.00 0.00 57.70 57.43 1pjw n MET 57 Cb 1.00 -1.45 -0.15 0.00 2.15 0.00 0.00 33.22 34.78 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 -2.86 0.36 0.15 1.12 2.01 -1.26 -5.12 115.64 110.03 1pjw s THR 58 Ca -0.08 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1pjw s THR 58 Cb 0.09 -0.32 -0.08 0.00 0.01 0.00 0.00 72.50 72.20 1pjw s THR 58 CO 0.75 0.11 1.23 -2.16 -0.69 0.00 0.00 174.62 173.86 1pjw s PRO 59 N 0.04 4.45 0.00 4.92 0.04 -1.26 -4.72 135.00 138.47 1pjw s PRO 59 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1pjw s PRO 59 Cb -0.03 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1pjw s PRO 59 CO -0.00 -0.18 0.00 0.28 0.04 0.00 0.00 177.00 177.13 1pjw n VAL 60 N 3.01 0.00 -1.71 -0.36 0.31 -1.19 -5.01 118.33 113.38 1pjw n VAL 60 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.08 1pjw n VAL 60 Cb 0.45 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.41 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 -2.03 1.73 0.14 2.92 0.00 0.77 -4.61 107.32 106.23 1pjw s GLY 61 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 44.72 44.87 1pjw s GLY 61 CO 0.00 0.39 -0.13 0.50 0.00 0.00 0.00 173.10 173.85 1pjw s ARG 62 N -4.93 1.07 -0.21 2.90 0.52 -1.24 -4.52 118.95 112.55 1pjw s ARG 62 Ca 0.58 -1.32 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 1pjw s ARG 62 Cb -0.13 -0.89 -0.04 0.00 0.52 0.00 0.00 34.95 34.41 1pjw s ARG 62 CO 0.52 0.16 0.38 -0.51 0.02 0.00 0.00 175.30 175.87 1pjw s LEU 63 N -2.68 4.14 0.15 2.53 1.43 -1.26 -0.24 118.68 122.75 1pjw s LEU 63 Ca 0.12 0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 53.59 1pjw s LEU 63 Cb -0.03 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 1pjw s LEU 63 CO 0.03 -0.08 1.47 0.58 0.23 0.00 0.00 176.35 178.58 1pjw h VAL 64 N 5.07 1.28 -2.16 -1.59 2.07 -1.70 -3.44 116.25 115.77 1pjw h VAL 64 Ca -0.36 -1.66 -0.46 0.00 0.82 0.00 0.00 66.70 65.04 1pjw h VAL 64 Cb 1.16 1.55 0.07 0.00 -1.52 0.00 0.00 31.29 32.55 1pjw h VAL 64 CO 0.71 0.54 0.06 0.42 0.02 0.00 0.00 177.57 179.31 1pjw s THR 65 N -4.22 2.27 0.70 2.57 -4.23 -1.25 -4.99 115.64 106.49 1pjw s THR 65 Ca -0.10 -0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 59.66 1pjw s THR 65 Cb 0.11 -2.64 0.18 0.00 1.34 0.00 0.00 72.50 71.49 1pjw s THR 65 CO 0.87 0.00 0.40 1.33 -0.54 0.00 0.00 174.62 176.68 1pjw n VAL 66 N -2.67 0.00 -1.05 2.29 0.24 -1.26 -4.86 118.33 111.02 1pjw n VAL 66 Ca 0.13 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.08 1pjw n VAL 66 Cb 0.60 -0.45 0.07 0.00 -1.47 0.00 0.00 33.84 32.59 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 -3.84 -3.17 -3.47 -1.34 5.03 -1.26 -4.71 115.26 102.50 1pjw n ASN 67 Ca 0.06 0.40 -0.37 0.00 0.87 0.00 0.00 54.58 55.55 1pjw n ASN 67 Cb 0.27 -1.04 -0.03 0.00 -1.02 0.00 0.00 39.78 37.97 1pjw n ASN 67 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1pjw n PRO 68 N 0.20 2.36 -3.93 3.52 -0.04 -1.26 -4.83 135.00 131.02 1pjw n PRO 68 Ca 0.05 -1.98 -0.24 0.00 -0.04 0.00 0.00 63.50 61.29 1pjw n PRO 68 Cb 0.52 -2.86 -0.17 0.00 -0.04 0.00 0.00 33.50 30.95 1pjw n PRO 68 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1pjw s PHE 69 N 3.66 1.07 -1.38 0.54 -0.71 -1.26 0.78 117.98 120.67 1pjw s PHE 69 Ca 0.52 -0.43 -0.07 0.00 -1.04 0.00 0.00 56.93 55.91 1pjw s PHE 69 Cb 0.14 -0.98 0.08 0.00 -1.21 0.00 0.00 43.02 41.05 1pjw s PHE 69 CO -0.00 -0.39 2.45 1.33 -1.34 0.00 0.00 175.22 177.27 1pjw n VAL 70 N 4.85 5.00 -0.64 -2.49 0.24 -1.11 -4.85 118.33 119.33 1pjw n VAL 70 Ca -0.12 -4.00 -0.28 0.00 -2.04 0.00 0.00 64.34 57.90 1pjw n VAL 70 Cb 0.50 -2.20 -0.05 0.00 -1.47 0.00 0.00 33.84 30.63 1pjw n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pjw n ALA 71 N 2.26 2.64 -2.31 2.33 0.00 -1.26 -4.09 120.51 120.07 1pjw n ALA 71 Ca 0.64 -2.07 -0.08 0.00 0.00 0.00 0.00 53.44 51.93 1pjw n ALA 71 Cb 0.25 -3.23 -0.09 0.00 0.00 0.00 0.00 19.45 16.38 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 4.99 0.19 -0.78 0.00 2.01 -1.26 -4.99 115.64 115.80 1pjw s THR 72 Ca 0.42 -1.53 0.25 0.00 0.31 0.00 0.00 61.69 61.15 1pjw s THR 72 Cb 0.10 -1.37 0.11 0.00 0.01 0.00 0.00 72.50 71.34 1pjw s THR 72 CO 0.10 -0.84 1.50 -1.54 -0.69 0.00 0.00 174.62 173.15 1pjw n SER 73 N 0.16 0.59 -0.47 3.53 3.41 -1.26 -3.65 113.62 115.93 1pjw n SER 73 Ca -0.15 0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.70 1pjw n SER 73 Cb 0.61 -0.08 0.16 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.93 2.94 -0.08 4.04 3.41 -1.26 -4.57 113.62 116.17 1pjw n SER 74 Ca 0.05 -2.61 0.01 0.00 -0.26 0.00 0.00 58.87 56.06 1pjw n SER 74 Cb 0.40 -0.34 0.04 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.49 2.50 0.78 7.33 0.00 -1.24 -3.57 120.51 125.81 1pjw n ALA 75 Ca 0.14 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.52 1pjw n ALA 75 Cb 0.60 -1.01 0.10 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.39 1.87 -2.59 0.00 3.02 -1.26 -3.75 115.26 112.17 1pjw n ASN 76 Ca 0.02 -2.17 -0.08 0.00 -0.03 0.00 0.00 54.58 52.32 1pjw n ASN 76 Cb 0.04 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 38.77 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 0.13 2.15 -4.56 6.41 2.88 -1.23 -4.47 113.62 114.93 1pjw n SER 77 Ca 0.07 -1.56 -0.17 0.00 -1.33 0.00 0.00 58.87 55.87 1pjw n SER 77 Cb 0.39 0.12 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 1pjw n SER 77 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1pjw s LYS 78 N -2.45 1.81 0.94 -1.46 1.02 -1.26 -2.36 119.74 115.96 1pjw s LYS 78 Ca 0.01 0.11 -0.14 0.00 0.02 0.00 0.00 55.97 55.97 1pjw s LYS 78 Cb 0.00 -4.90 0.16 0.00 -0.52 0.00 0.00 37.83 32.57 1pjw s LYS 78 CO 0.01 -4.32 1.19 0.14 -0.92 0.00 0.00 175.35 171.44 1pjw s VAL 79 N 13.82 1.95 -0.09 3.17 -7.23 0.12 -4.73 120.40 127.41 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 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 34.01 1pjw s VAL 79 CO 0.07 0.00 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.45 1pjw s LEU 80 N -6.01 1.91 0.52 1.32 0.20 -1.26 -1.42 118.68 113.93 1pjw s LEU 80 Ca 0.67 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 55.06 1pjw s LEU 80 Cb -0.10 -1.18 0.00 0.00 -0.43 0.00 0.00 46.19 44.48 1pjw s LEU 80 CO 0.53 0.10 0.14 -0.69 -0.29 0.00 0.00 176.35 176.14 1pjw s VAL 81 N 0.50 1.38 -0.01 1.68 1.01 -0.45 -4.96 120.40 119.55 1pjw s VAL 81 Ca -0.16 -1.82 -0.20 0.00 0.00 0.00 0.00 61.98 59.80 1pjw s VAL 81 Cb -0.17 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1pjw s VAL 81 CO 0.06 0.00 0.44 -1.61 0.00 0.00 0.00 175.10 173.99 1pjw s GLU 82 N -4.01 0.83 -0.14 2.72 2.02 -1.26 -2.13 118.70 116.73 1pjw s GLU 82 Ca 0.17 -0.10 -0.08 0.00 0.02 0.00 0.00 54.97 54.98 1pjw s GLU 82 Cb 0.01 0.38 0.05 0.00 0.10 0.00 0.00 34.13 34.67 1pjw s GLU 82 CO 0.10 -0.25 0.34 -1.64 0.02 0.00 0.00 175.26 173.83 1pjw s MET 83 N -1.53 0.33 -0.95 1.61 -1.94 -0.62 -2.10 119.30 114.10 1pjw s MET 83 Ca -0.11 0.67 -0.02 0.00 -1.71 0.00 0.00 55.69 54.52 1pjw s MET 83 Cb -0.03 -0.04 0.28 0.00 2.01 0.00 0.00 34.83 37.05 1pjw s MET 83 CO 0.04 -0.15 1.16 -0.85 -0.01 0.00 0.00 175.02 175.21 1pjw n GLU 84 N 4.13 3.62 -1.39 2.03 0.28 0.67 -1.19 120.64 128.79 1pjw n GLU 84 Ca -0.23 -4.57 -0.29 0.00 -0.16 0.00 0.00 57.16 51.92 1pjw n GLU 84 Cb 0.55 -2.44 0.16 0.00 1.43 0.00 0.00 31.44 31.13 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 -2.34 0.76 0.68 3.44 0.04 -1.26 -3.61 135.00 132.70 1pjw s PRO 85 Ca 0.33 0.34 -0.13 0.00 0.04 0.00 0.00 61.00 61.57 1pjw s PRO 85 Cb 0.04 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1pjw s PRO 85 CO 0.02 -2.47 1.09 -1.25 0.04 0.00 0.00 177.00 174.43 1pjw s PRO 86 N -5.18 2.77 0.00 0.56 0.04 -1.26 -4.89 135.00 127.04 1pjw s PRO 86 Ca 0.65 1.23 -0.35 0.00 0.04 0.00 0.00 61.00 62.57 1pjw s PRO 86 Cb -0.16 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 1pjw s PRO 86 CO 0.55 -1.25 1.65 1.19 0.04 0.00 0.00 177.00 179.18 1pjw n PHE 87 N -2.74 2.12 0.00 0.56 3.72 -1.26 -4.65 117.46 115.20 1pjw n PHE 87 Ca 0.09 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 1pjw n PHE 87 Cb 0.53 -2.53 0.00 0.00 -0.94 0.00 0.00 39.48 36.54 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 3.67 0.73 3.72 1.37 0.00 -1.26 -5.04 105.19 108.38 1pjw n GLY 88 Ca 0.20 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1pjw n GLY 88 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pjw s ASP 89 N -4.00 6.23 0.15 1.61 -4.77 -1.26 -4.26 116.67 110.37 1pjw s ASP 89 Ca 0.00 0.26 0.10 0.00 -3.30 0.00 0.00 52.55 49.61 1pjw s ASP 89 Cb 0.00 -2.11 -0.04 0.00 -1.09 0.00 0.00 42.92 39.68 1pjw s ASP 89 CO 0.00 0.15 -0.23 -0.94 0.70 0.00 0.00 175.17 174.85 1pjw s SER 90 N 0.45 3.05 -0.26 2.11 1.04 -0.94 -0.57 113.70 118.57 1pjw s SER 90 Ca 0.09 -0.79 -0.08 0.00 0.48 0.00 0.00 55.95 55.66 1pjw s SER 90 Cb -0.12 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 1pjw s SER 90 CO -0.00 0.10 0.08 -0.31 0.98 0.00 0.00 173.24 174.08 1pjw s TYR 91 N -1.42 3.10 -0.13 5.02 1.51 0.47 -1.08 117.35 124.82 1pjw s TYR 91 Ca 0.14 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1pjw s TYR 91 Cb -0.09 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.48 1pjw s TYR 91 CO 0.07 -0.40 -0.04 0.42 -1.11 0.00 0.00 175.55 174.49 1pjw s ILE 92 N 1.60 3.91 -0.10 2.71 1.09 -0.88 -2.34 121.20 127.19 1pjw s ILE 92 Ca 0.06 -0.37 0.03 0.00 -1.10 0.00 0.00 60.65 59.27 1pjw s ILE 92 Cb -0.16 -2.68 0.01 0.00 -1.06 0.00 0.00 42.46 38.58 1pjw s ILE 92 CO 0.04 0.53 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.53 1pjw s VAL 93 N -0.04 1.68 -0.74 2.92 1.01 -0.96 -0.20 120.40 124.06 1pjw s VAL 93 Ca 0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1pjw s VAL 93 Cb -0.13 -1.49 0.19 0.00 0.00 0.00 0.00 36.38 34.95 1pjw s VAL 93 CO 0.03 0.48 0.61 -0.69 0.00 0.00 0.00 175.10 175.52 1pjw s VAL 94 N 0.65 4.48 0.38 2.92 1.01 0.23 -1.59 120.40 128.49 1pjw s VAL 94 Ca -0.13 -2.93 -0.10 0.00 0.00 0.00 0.00 61.98 58.82 1pjw s VAL 94 Cb -0.16 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.42 1pjw s VAL 94 CO 0.04 -0.96 0.68 0.61 0.00 0.00 0.00 175.10 175.46 1pjw n GLY 95 N 3.47 1.39 0.11 4.51 0.00 0.04 -2.49 105.19 112.21 1pjw n GLY 95 Ca 0.12 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1pjw n GLY 95 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1pjw n MET 96 N -0.55 0.68 0.00 1.61 0.00 -1.22 -4.33 117.12 113.31 1pjw n MET 96 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1pjw n MET 96 Cb 0.59 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.27 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 1.86 -1.99 0.00 3.17 0.00 -1.26 -5.05 105.19 101.92 1pjw n GLY 97 Ca -0.35 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.65 1.61 8.00 -1.26 -4.61 116.55 115.64 1pjw n ASP 98 Ca 0.00 0.25 -0.43 0.00 0.71 0.00 0.00 54.79 55.32 1pjw n ASP 98 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1pjw s LYS 99 N -0.50 4.16 0.02 -1.24 3.01 -1.26 -5.01 119.74 118.91 1pjw s LYS 99 Ca 0.00 1.24 -0.00 0.00 -1.01 0.00 0.00 55.97 56.20 1pjw s LYS 99 Cb 0.00 -3.70 -0.02 0.00 -1.01 0.00 0.00 37.83 33.11 1pjw s LYS 99 CO 0.00 -0.77 -0.01 1.14 0.51 0.00 0.00 175.35 176.22 1pjw s GLN 100 N 3.45 0.28 -0.51 1.68 1.03 -1.26 -3.92 119.66 120.41 1pjw s GLN 100 Ca 0.45 -0.52 -0.20 0.00 0.04 0.00 0.00 55.36 55.14 1pjw s GLN 100 Cb -0.14 0.10 0.05 0.00 0.03 0.00 0.00 33.01 33.06 1pjw s GLN 100 CO 0.11 -0.05 0.67 0.42 -2.54 0.00 0.00 175.29 173.90 1pjw s ILE 101 N -1.28 4.81 -0.06 3.63 1.01 -1.04 -4.86 121.20 123.41 1pjw s ILE 101 Ca -0.14 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.01 1pjw s ILE 101 Cb -0.09 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1pjw s ILE 101 CO -0.01 -0.83 0.39 0.54 0.00 0.00 0.00 174.94 175.03 1pjw s ASN 102 N 2.66 6.70 0.17 3.58 4.22 -1.26 -0.60 114.94 130.41 1pjw s ASN 102 Ca 0.18 0.83 0.06 0.00 -2.14 0.00 0.00 52.86 51.79 1pjw s ASN 102 Cb -0.18 -2.24 -0.04 0.00 1.28 0.00 0.00 41.25 40.07 1pjw s ASN 102 CO 0.13 0.23 -0.12 -1.00 -2.04 0.00 0.00 177.10 174.30 1pjw s HIS 103 N -0.48 1.44 -0.29 1.54 3.76 0.71 -4.98 115.29 116.99 1pjw s HIS 103 Ca 0.22 -0.68 0.02 0.00 -0.15 0.00 0.00 55.06 54.48 1pjw s HIS 103 Cb -0.16 -0.71 0.07 0.00 1.11 0.00 0.00 32.58 32.90 1pjw s HIS 103 CO 0.11 0.19 -0.04 -1.01 -0.85 0.00 0.00 174.74 173.14 1pjw s HIS 104 N -3.12 3.42 -0.90 1.40 3.76 -1.26 -2.06 115.29 116.52 1pjw s HIS 104 Ca 0.18 -2.46 -0.20 0.00 -0.15 0.00 0.00 55.06 52.44 1pjw s HIS 104 Cb 0.01 -2.28 0.11 0.00 1.11 0.00 0.00 32.58 31.53 1pjw s HIS 104 CO 0.03 -0.89 1.13 -0.46 -0.85 0.00 0.00 174.74 173.70 1pjw s TRP 105 N 1.07 2.99 -0.16 1.40 -0.00 -0.24 -4.95 118.94 119.04 1pjw s TRP 105 Ca -0.02 -1.20 -0.09 0.00 -0.00 0.00 0.00 56.10 54.78 1pjw s TRP 105 Cb -0.20 -4.32 -0.05 0.00 -0.00 0.00 0.00 33.47 28.90 1pjw s TRP 105 CO -0.05 -1.56 0.14 -3.38 -0.00 0.00 0.00 176.95 172.10 1pjw s HIS 106 N 3.13 3.50 -1.26 5.86 -3.43 -1.26 -2.21 115.29 119.61 1pjw s HIS 106 Ca 0.32 0.43 0.24 0.00 -0.80 0.00 0.00 55.06 55.26 1pjw s HIS 106 Cb -0.06 -2.07 0.38 0.00 -1.43 0.00 0.00 32.58 29.40 1pjw s HIS 106 CO -0.06 0.49 1.32 0.36 -2.00 0.00 0.00 174.74 174.85 1pjw n LYS 107 N 2.82 0.29 -3.50 -0.38 2.85 -1.26 -4.88 118.16 114.10 1pjw n LYS 107 Ca -0.18 -0.20 -0.00 0.00 -1.05 0.00 0.00 58.31 56.89 1pjw n LYS 107 Cb 0.53 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.37 1pjw n LYS 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pjw s ALA 108 N -2.84 -2.50 0.09 0.58 0.00 -1.26 -5.13 121.76 110.70 1pjw s ALA 108 Ca 0.14 2.13 0.04 0.00 0.00 0.00 0.00 51.96 54.28 1pjw s ALA 108 Cb 0.18 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1pjw s ALA 108 CO 0.68 -0.77 -0.11 0.20 0.00 0.00 0.00 175.76 175.76 1pjw s GLY 109 N 2.17 0.86 0.00 0.00 0.00 -1.26 -5.05 107.32 104.04 1pjw s GLY 109 Ca -0.05 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1pjw s GLY 109 CO -0.17 -1.19 0.00 1.44 0.00 0.00 0.00 173.10 173.18 1pjw n SER 110 N 0.78 0.00 0.00 1.64 7.64 -1.26 -5.26 113.62 117.15 1pjw n SER 110 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1pjw n SER 110 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1pjw n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38