#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 2.89 0.24 -0.67 2.20 -1.26 -5.10 119.74 118.04 1pjw s LYS 2 Ca 0.00 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 54.72 1pjw s LYS 2 Cb 0.00 -2.55 -0.09 0.00 -1.51 0.00 0.00 37.83 33.68 1pjw s LYS 2 CO 0.00 0.51 0.86 -1.17 -0.36 0.00 0.00 175.35 175.19 1pjw s LEU 3 N -0.41 4.48 0.10 5.43 2.96 -1.26 -5.06 118.68 124.92 1pjw s LEU 3 Ca 0.05 1.74 0.08 0.00 -0.22 0.00 0.00 54.13 55.78 1pjw s LEU 3 Cb -0.12 -3.66 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1pjw s LEU 3 CO 0.02 0.08 -0.14 0.00 -1.32 0.00 0.00 176.35 174.99 1pjw s ALA 4 N -1.37 2.83 -0.22 5.97 0.00 -1.26 -5.11 121.76 122.59 1pjw s ALA 4 Ca 0.43 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 1pjw s ALA 4 Cb -0.21 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 1pjw s ALA 4 CO 0.26 0.62 -0.03 -0.51 0.00 0.00 0.00 175.76 176.10 1pjw s LEU 5 N -2.12 2.96 0.00 0.00 1.43 -1.26 -5.10 118.68 114.59 1pjw s LEU 5 Ca 0.19 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1pjw s LEU 5 Cb -0.11 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1pjw s LEU 5 CO 0.12 -0.02 0.02 0.29 0.23 0.00 0.00 176.35 176.98 1pjw n LYS 6 N 4.80 1.04 -0.59 1.70 5.02 -1.26 -4.99 118.16 123.89 1pjw n LYS 6 Ca -0.18 -0.07 0.04 0.00 -2.02 0.00 0.00 58.31 56.08 1pjw n LYS 6 Cb 0.51 -0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.77 1pjw n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pjw n GLY 7 N 4.85 2.51 3.89 0.72 0.00 -1.26 -4.93 105.19 110.98 1pjw n GLY 7 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.13 4.44 0.95 2.61 -4.23 -1.26 -5.06 115.64 110.96 1pjw s THR 8 Ca 0.35 0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 61.15 1pjw s THR 8 Cb 0.27 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.52 1pjw s THR 8 CO 0.10 -0.85 1.12 0.28 -0.54 0.00 0.00 174.62 174.73 1pjw s THR 9 N -3.00 2.06 0.35 3.99 -1.32 -1.26 -5.08 115.64 111.38 1pjw s THR 9 Ca 0.52 0.02 -0.10 0.00 -1.21 0.00 0.00 61.69 60.92 1pjw s THR 9 Cb -0.11 -2.66 0.03 0.00 -1.51 0.00 0.00 72.50 68.25 1pjw s THR 9 CO 0.49 -0.03 0.63 -0.47 -2.21 0.00 0.00 174.62 173.03 1pjw s TYR 10 N -3.14 0.51 -0.47 9.09 5.04 -1.26 -5.12 117.35 122.01 1pjw s TYR 10 Ca 0.64 -0.97 -0.15 0.00 -2.44 0.00 0.00 57.07 54.16 1pjw s TYR 10 Cb -0.16 0.40 0.08 0.00 0.35 0.00 0.00 41.96 42.62 1pjw s TYR 10 CO 0.55 -1.32 0.39 0.20 -1.34 0.00 0.00 175.55 174.02 1pjw s GLY 11 N -3.13 2.04 -0.66 8.97 0.00 -1.26 -5.02 107.32 108.27 1pjw s GLY 11 Ca 0.22 -2.15 -0.16 0.00 0.00 0.00 0.00 44.72 42.62 1pjw s GLY 11 CO 0.15 1.06 0.66 1.06 0.00 0.00 0.00 173.10 176.02 1pjw s MET 12 N 1.61 3.21 -0.25 2.90 -1.94 -1.26 -3.06 119.30 120.51 1pjw s MET 12 Ca 0.04 -1.83 -0.02 0.00 -1.71 0.00 0.00 55.69 52.17 1pjw s MET 12 Cb -0.25 -4.37 0.13 0.00 2.01 0.00 0.00 34.83 32.35 1pjw s MET 12 CO 0.06 -1.40 0.32 0.00 -0.01 0.00 0.00 175.02 173.99 1pjw n THR 14 N 5.34 0.00 1.08 0.00 -1.04 -1.26 -4.31 114.28 114.10 1pjw n THR 14 Ca -0.03 -0.17 0.09 0.00 -2.04 0.00 0.00 64.05 61.89 1pjw n THR 14 Cb 0.49 0.57 0.52 0.00 -1.82 0.00 0.00 70.33 70.09 1pjw n THR 14 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1pjw n GLU 15 N -0.27 0.53 -1.90 -2.82 0.00 -1.26 -4.02 120.64 110.89 1pjw n GLU 15 Ca -0.25 0.01 -0.40 0.00 0.00 0.00 0.00 57.16 56.51 1pjw n GLU 15 Cb 0.72 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.65 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 -1.02 4.25 -3.61 5.31 5.02 -1.26 -4.88 118.16 121.97 1pjw n LYS 16 Ca 0.13 -3.21 -0.34 0.00 -2.02 0.00 0.00 58.31 52.87 1pjw n LYS 16 Cb 0.07 -2.72 -0.05 0.00 -0.02 0.00 0.00 35.03 32.30 1pjw n LYS 16 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1pjw s PHE 17 N -0.21 3.55 -0.32 2.13 0.40 -1.26 -1.78 117.98 120.50 1pjw s PHE 17 Ca 0.55 0.72 0.01 0.00 -0.60 0.00 0.00 56.93 57.61 1pjw s PHE 17 Cb 0.17 -2.11 0.10 0.00 0.51 0.00 0.00 43.02 41.69 1pjw s PHE 17 CO -0.07 0.50 0.08 -1.12 0.70 0.00 0.00 175.22 175.31 1pjw s SER 18 N -1.92 4.30 -0.14 1.36 0.01 -0.01 -4.90 113.70 112.40 1pjw s SER 18 Ca 0.35 -1.83 -0.31 0.00 1.31 0.00 0.00 55.95 55.47 1pjw s SER 18 Cb -0.13 -1.15 -0.09 0.00 0.21 0.00 0.00 66.02 64.85 1pjw s SER 18 CO 0.19 -0.40 2.07 0.49 0.41 0.00 0.00 173.24 176.00 1pjw n PHE 19 N 4.62 2.14 -0.06 2.43 3.72 -1.26 -0.89 117.46 128.16 1pjw n PHE 19 Ca 0.00 -0.09 -0.03 0.00 -0.05 0.00 0.00 57.45 57.28 1pjw n PHE 19 Cb 0.42 -2.70 -0.14 0.00 -0.94 0.00 0.00 39.48 36.12 1pjw n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pjw n ALA 20 N 9.02 1.91 -3.03 4.37 0.00 0.57 -4.93 120.51 128.42 1pjw n ALA 20 Ca 0.27 -0.94 -0.11 0.00 0.00 0.00 0.00 53.44 52.66 1pjw n ALA 20 Cb 0.36 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.69 0.56 0.69 0.00 1.02 -1.13 -4.98 119.74 113.21 1pjw s LYS 21 Ca -0.08 -0.46 -0.15 0.00 0.02 0.00 0.00 55.97 55.30 1pjw s LYS 21 Cb 0.07 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.63 1pjw s LYS 21 CO 0.73 -0.14 1.14 0.54 -0.92 0.00 0.00 175.35 176.70 1pjw s ASN 22 N -1.60 4.73 0.31 2.83 2.20 -1.26 -4.15 114.94 118.00 1pjw s ASN 22 Ca -0.12 2.12 -0.28 0.00 -0.94 0.00 0.00 52.86 53.64 1pjw s ASN 22 Cb -0.05 -2.56 -0.09 0.00 -2.00 0.00 0.00 41.25 36.54 1pjw s ASN 22 CO 0.00 -1.89 1.12 -2.16 -2.94 0.00 0.00 177.10 171.23 1pjw s PRO 23 N -4.07 4.49 0.20 3.55 0.04 -1.26 -4.72 135.00 133.23 1pjw s PRO 23 Ca 0.69 1.81 -0.08 0.00 0.04 0.00 0.00 61.00 63.47 1pjw s PRO 23 Cb -0.23 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1pjw s PRO 23 CO 0.43 0.07 0.30 0.00 0.04 0.00 0.00 177.00 177.84 1pjw s ALA 24 N -1.25 0.27 0.35 8.56 0.00 -0.29 -4.78 121.76 124.62 1pjw s ALA 24 Ca 0.48 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 1pjw s ALA 24 Cb -0.31 1.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.82 1pjw s ALA 24 CO 0.40 -0.69 0.67 0.34 0.00 0.00 0.00 175.76 176.48 1pjw s ASP 25 N -3.04 6.49 0.00 0.00 2.15 -1.26 0.16 116.67 121.17 1pjw s ASP 25 Ca 0.25 0.94 0.00 0.00 0.43 0.00 0.00 52.55 54.17 1pjw s ASP 25 Cb 0.03 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1pjw s ASP 25 CO 0.06 -0.30 0.00 0.35 -0.17 0.00 0.00 175.17 175.11 1pjw n THR 26 N -1.11 0.00 0.00 1.71 -2.24 -0.72 -4.84 114.28 107.08 1pjw n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pjw n THR 26 Cb 0.54 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 2.49 0.83 2.66 3.38 0.00 -1.26 -5.04 105.19 108.24 1pjw n GLY 27 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1pjw n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pjw s HIS 28 N 1.15 1.53 0.00 1.61 0.09 -1.26 -4.77 115.29 113.64 1pjw s HIS 28 Ca 0.00 -1.95 0.00 0.00 -0.00 0.00 0.00 55.06 53.11 1pjw s HIS 28 Cb 0.00 -1.57 0.00 0.00 -0.00 0.00 0.00 32.58 31.01 1pjw s HIS 28 CO 0.00 -0.83 0.00 0.41 -0.00 0.00 0.00 174.74 174.32 1pjw n GLY 29 N 4.16 0.56 3.14 -2.22 0.00 -1.26 -5.03 105.19 104.54 1pjw n GLY 29 Ca 0.05 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 2.90 0.22 2.61 -4.23 -1.26 -4.24 115.64 109.64 1pjw s THR 30 Ca 0.00 -1.57 -0.21 0.00 -1.18 0.00 0.00 61.69 58.73 1pjw s THR 30 Cb 0.00 -2.75 -0.08 0.00 1.34 0.00 0.00 72.50 71.00 1pjw s THR 30 CO 0.00 -0.22 0.74 -0.69 -0.54 0.00 0.00 174.62 173.91 1pjw s VAL 31 N 1.20 4.53 0.09 2.29 1.01 0.49 -1.76 120.40 128.26 1pjw s VAL 31 Ca -0.03 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.40 1pjw s VAL 31 Cb -0.20 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1pjw s VAL 31 CO -0.02 0.25 -0.21 0.68 0.00 0.00 0.00 175.10 175.80 1pjw s VAL 32 N -1.47 1.70 0.16 2.92 -7.23 0.43 -1.66 120.40 115.26 1pjw s VAL 32 Ca 0.42 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.95 1pjw s VAL 32 Cb -0.18 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.25 1pjw s VAL 32 CO 0.22 -0.03 0.41 -0.51 -0.31 0.00 0.00 175.10 174.88 1pjw s ILE 33 N -1.11 0.05 -0.29 -0.62 2.07 0.04 -1.13 121.20 120.21 1pjw s ILE 33 Ca 0.06 -0.91 -0.01 0.00 -1.41 0.00 0.00 60.65 58.38 1pjw s ILE 33 Cb -0.10 -1.53 0.09 0.00 0.13 0.00 0.00 42.46 41.05 1pjw s ILE 33 CO 0.04 -0.25 0.08 -0.70 -1.91 0.00 0.00 174.94 172.20 1pjw s GLU 34 N -3.88 0.72 -0.03 3.50 2.56 -1.26 -1.72 118.70 118.59 1pjw s GLU 34 Ca 0.09 -0.94 0.07 0.00 0.00 0.00 0.00 54.97 54.20 1pjw s GLU 34 Cb 0.01 -1.99 -0.02 0.00 2.00 0.00 0.00 34.13 34.13 1pjw s GLU 34 CO -0.05 -0.92 -0.24 -0.51 -0.56 0.00 0.00 175.26 172.98 1pjw s LEU 35 N 1.67 2.15 -0.10 2.70 1.02 -0.37 -0.32 118.68 125.43 1pjw s LEU 35 Ca 0.07 -0.43 -0.17 0.00 0.02 0.00 0.00 54.13 53.62 1pjw s LEU 35 Cb -0.17 -1.37 -0.04 0.00 0.02 0.00 0.00 46.19 44.62 1pjw s LEU 35 CO -0.22 0.32 0.45 -0.44 0.02 0.00 0.00 176.35 176.48 1pjw s SER 36 N -0.62 6.68 -0.65 2.29 0.01 -0.07 0.20 113.70 121.54 1pjw s SER 36 Ca 0.10 0.81 -0.20 0.00 1.31 0.00 0.00 55.95 57.97 1pjw s SER 36 Cb -0.10 -2.27 0.10 0.00 0.21 0.00 0.00 66.02 63.96 1pjw s SER 36 CO -0.01 0.06 0.84 -0.47 0.41 0.00 0.00 173.24 174.07 1pjw s TYR 37 N 0.36 2.92 -1.15 2.43 5.04 -1.01 -0.83 117.35 125.10 1pjw s TYR 37 Ca 0.25 -0.89 -0.06 0.00 -2.44 0.00 0.00 57.07 53.93 1pjw s TYR 37 Cb -0.15 -4.13 0.26 0.00 0.35 0.00 0.00 41.96 38.28 1pjw s TYR 37 CO 0.10 -1.43 1.64 0.45 -1.34 0.00 0.00 175.55 174.98 1pjw n SER 38 N 6.76 5.99 -4.28 4.32 2.88 -0.73 -4.27 113.62 124.28 1pjw n SER 38 Ca -0.04 -3.31 -0.32 0.00 -1.33 0.00 0.00 58.87 53.87 1pjw n SER 38 Cb 0.44 -1.34 -0.16 0.00 -0.75 0.00 0.00 64.21 62.40 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 -0.84 1.37 -0.04 0.46 0.00 -1.26 -4.86 107.32 102.15 1pjw s GLY 39 Ca 0.34 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1pjw s GLY 39 CO 0.07 -0.43 0.80 1.44 0.00 0.00 0.00 173.10 174.98 1pjw n SER 40 N 3.27 1.77 -0.85 1.64 7.64 -1.26 -3.52 113.62 122.32 1pjw n SER 40 Ca -0.18 -2.16 0.12 0.00 1.01 0.00 0.00 58.87 57.66 1pjw n SER 40 Cb 0.53 -0.47 0.08 0.00 -1.01 0.00 0.00 64.21 63.33 1pjw n SER 40 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pjw n ASP 41 N 0.10 2.77 0.00 6.43 8.00 -1.26 -5.07 116.55 127.52 1pjw n ASP 41 Ca 0.05 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.67 1pjw n ASP 41 Cb 0.39 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 1.37 -0.38 3.79 0.44 0.00 -1.23 -4.84 105.19 104.33 1pjw n GLY 42 Ca 0.13 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 3.60 -0.04 1.61 0.04 -1.25 -4.92 135.00 134.03 1pjw s PRO 43 Ca 0.00 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 1pjw s PRO 43 Cb 0.00 -2.06 0.11 0.00 0.04 0.00 0.00 34.50 32.59 1pjw s PRO 43 CO 0.00 -0.61 1.01 0.00 0.04 0.00 0.00 177.00 177.44 1pjw s LYS 45 N -2.90 3.65 -0.36 0.00 -0.14 -1.17 -0.29 119.74 118.52 1pjw s LYS 45 Ca 0.07 0.96 -0.29 0.00 -1.36 0.00 0.00 55.97 55.36 1pjw s LYS 45 Cb -0.01 -3.99 -0.00 0.00 -1.68 0.00 0.00 37.83 32.15 1pjw s LYS 45 CO -0.06 -1.46 1.55 0.42 -0.76 0.00 0.00 175.35 175.03 1pjw s ILE 46 N 5.14 3.76 -0.76 2.17 1.01 0.24 -3.52 121.20 129.23 1pjw s ILE 46 Ca 0.59 0.78 -0.24 0.00 0.00 0.00 0.00 60.65 61.79 1pjw s ILE 46 Cb -0.14 -3.98 0.06 0.00 0.01 0.00 0.00 42.46 38.42 1pjw s ILE 46 CO 0.31 -0.59 1.15 -2.16 0.00 0.00 0.00 174.94 173.64 1pjw s PRO 47 N 5.11 3.25 0.08 2.79 0.04 -1.26 -4.70 135.00 140.31 1pjw s PRO 47 Ca 0.68 -0.77 0.04 0.00 0.04 0.00 0.00 61.00 60.98 1pjw s PRO 47 Cb -0.18 -4.43 -0.03 0.00 0.04 0.00 0.00 34.50 29.90 1pjw s PRO 47 CO 0.32 -1.97 -0.10 0.42 0.04 0.00 0.00 177.00 175.71 1pjw s ILE 48 N 4.59 0.88 -0.22 0.56 1.01 -1.26 -1.70 121.20 125.05 1pjw s ILE 48 Ca 0.31 -1.50 0.01 0.00 0.00 0.00 0.00 60.65 59.46 1pjw s ILE 48 Cb -0.10 -1.19 0.06 0.00 0.01 0.00 0.00 42.46 41.23 1pjw s ILE 48 CO 0.07 -0.49 -0.06 0.54 0.00 0.00 0.00 174.94 175.00 1pjw s VAL 49 N -2.12 1.51 -0.61 2.92 0.11 -0.34 -5.00 120.40 116.87 1pjw s VAL 49 Ca 0.02 -1.15 -0.21 0.00 -2.93 0.00 0.00 61.98 57.71 1pjw s VAL 49 Cb -0.05 -1.75 0.08 0.00 -1.53 0.00 0.00 36.38 33.14 1pjw s VAL 49 CO 0.00 -0.05 0.82 -0.44 -3.33 0.00 0.00 175.10 172.10 1pjw s SER 50 N 1.41 6.19 0.19 3.54 0.01 -1.26 -2.38 113.70 121.40 1pjw s SER 50 Ca -0.05 -1.16 0.10 0.00 1.31 0.00 0.00 55.95 56.16 1pjw s SER 50 Cb -0.18 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1pjw s SER 50 CO -0.07 -1.24 -0.21 -0.69 0.41 0.00 0.00 173.24 171.44 1pjw s VAL 51 N 3.32 2.13 1.03 3.43 1.01 -1.00 0.22 120.40 130.54 1pjw s VAL 51 Ca 0.17 -2.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.02 1pjw s VAL 51 Cb -0.20 -2.02 0.21 0.00 0.00 0.00 0.00 36.38 34.37 1pjw s VAL 51 CO 0.09 -0.23 1.09 0.00 0.00 0.00 0.00 175.10 176.05 1pjw s ALA 52 N -1.92 0.56 -0.60 5.51 0.00 -1.26 0.27 121.76 124.32 1pjw s ALA 52 Ca 0.19 0.25 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 1pjw s ALA 52 Cb -0.07 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1pjw s ALA 52 CO 0.09 -3.26 1.74 0.45 0.00 0.00 0.00 175.76 174.78 1pjw s SER 53 N -2.61 5.51 0.00 0.00 0.15 0.74 -2.58 113.70 114.91 1pjw s SER 53 Ca 0.67 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1pjw s SER 53 Cb -0.24 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1pjw s SER 53 CO 0.61 -2.20 0.00 -0.11 1.20 0.00 0.00 173.24 172.74 1pjw n LEU 54 N 11.85 0.00 -4.88 3.45 7.94 -1.26 -4.87 117.00 129.22 1pjw n LEU 54 Ca 0.18 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.76 1pjw n LEU 54 Cb 0.51 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.41 1pjw n LEU 54 CO 0.71 0.00 0.13 0.20 -1.11 0.00 0.00 177.39 177.32 1pjw s ASN 55 N 0.00 6.57 -0.03 1.96 0.01 -1.26 -4.99 114.94 117.20 1pjw s ASN 55 Ca 0.00 0.77 0.15 0.00 -0.71 0.00 0.00 52.86 53.08 1pjw s ASN 55 Cb 0.00 -2.17 -0.23 0.00 0.41 0.00 0.00 41.25 39.26 1pjw s ASN 55 CO 0.00 -0.01 0.32 -0.90 -1.51 0.00 0.00 177.10 174.99 1pjw n ASP 56 N -0.02 1.53 -1.08 -1.22 5.68 -1.26 -4.56 116.55 115.62 1pjw n ASP 56 Ca -0.01 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.31 1pjw n ASP 56 Cb 0.52 1.64 0.13 0.00 -1.14 0.00 0.00 41.12 42.28 1pjw n ASP 56 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1pjw n MET 57 N -2.06 1.32 -4.01 0.11 1.56 -1.26 -5.01 117.12 107.77 1pjw n MET 57 Ca -0.04 -3.02 -0.28 0.00 -0.27 0.00 0.00 57.70 54.08 1pjw n MET 57 Cb 0.43 -1.22 -0.17 0.00 2.15 0.00 0.00 33.22 34.42 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 -2.46 1.32 -0.00 1.12 2.01 -1.26 -5.10 115.64 111.26 1pjw s THR 58 Ca 0.38 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 1pjw s THR 58 Cb 0.38 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1pjw s THR 58 CO -0.09 0.42 1.31 -2.16 -0.69 0.00 0.00 174.62 173.41 1pjw s PRO 59 N 1.53 4.32 0.00 4.92 0.04 -1.26 -4.70 135.00 139.85 1pjw s PRO 59 Ca 0.04 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1pjw s PRO 59 Cb -0.13 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1pjw s PRO 59 CO -0.09 -0.49 0.00 0.28 0.04 0.00 0.00 177.00 176.74 1pjw n VAL 60 N 4.52 0.00 -1.77 -0.36 0.31 -1.24 -5.03 118.33 114.76 1pjw n VAL 60 Ca 0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.14 1pjw n VAL 60 Cb 0.45 -0.61 0.03 0.00 -0.91 0.00 0.00 33.84 32.80 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 -4.61 1.76 0.10 2.92 0.00 0.60 -4.75 107.32 103.34 1pjw s GLY 61 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.86 1pjw s GLY 61 CO 0.00 0.39 -0.11 0.50 0.00 0.00 0.00 173.10 173.89 1pjw s ARG 62 N -4.86 0.85 -0.15 2.90 0.52 -1.26 -4.61 118.95 112.35 1pjw s ARG 62 Ca 0.58 -1.14 -0.16 0.00 -0.52 0.00 0.00 55.73 54.49 1pjw s ARG 62 Cb -0.13 -0.58 -0.04 0.00 0.52 0.00 0.00 34.95 34.71 1pjw s ARG 62 CO 0.50 0.10 0.38 -0.51 0.02 0.00 0.00 175.30 175.79 1pjw s LEU 63 N -2.37 4.25 0.08 2.53 1.43 -1.26 -0.38 118.68 122.95 1pjw s LEU 63 Ca 0.05 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1pjw s LEU 63 Cb -0.04 -2.52 -0.25 0.00 0.03 0.00 0.00 46.19 43.41 1pjw s LEU 63 CO 0.00 0.04 1.15 0.58 0.23 0.00 0.00 176.35 178.36 1pjw h VAL 64 N 4.73 1.53 -4.53 -1.59 2.07 -1.73 -3.46 116.25 113.26 1pjw h VAL 64 Ca -0.41 -3.17 -0.48 0.00 0.82 0.00 0.00 66.70 63.47 1pjw h VAL 64 Cb 1.17 2.87 0.10 0.00 -1.52 0.00 0.00 31.29 33.91 1pjw h VAL 64 CO 0.75 0.90 0.40 0.28 0.02 0.00 0.00 177.57 179.93 1pjw s THR 65 N -2.67 2.43 1.05 2.57 -1.32 -1.26 -5.03 115.64 111.42 1pjw s THR 65 Ca -0.02 0.14 -0.14 0.00 -1.21 0.00 0.00 61.69 60.46 1pjw s THR 65 Cb 0.08 -3.11 0.21 0.00 -1.51 0.00 0.00 72.50 68.18 1pjw s THR 65 CO 0.85 -0.18 0.48 1.33 -2.21 0.00 0.00 174.62 174.89 1pjw n VAL 66 N -3.28 0.00 -1.49 5.08 0.24 -1.26 -4.76 118.33 112.86 1pjw n VAL 66 Ca 0.08 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.95 1pjw n VAL 66 Cb 0.60 -0.55 -0.00 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.89 -0.26 -3.50 -1.34 4.13 -1.26 -4.73 115.26 106.41 1pjw n ASN 67 Ca 0.08 1.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.97 1pjw n ASN 67 Cb 0.34 -1.15 -0.03 0.00 -1.54 0.00 0.00 39.78 37.39 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 0.62 2.14 -4.26 3.52 -0.04 -1.26 -4.86 135.00 130.86 1pjw n PRO 68 Ca 0.12 -1.93 -0.33 0.00 -0.04 0.00 0.00 63.50 61.31 1pjw n PRO 68 Cb 0.36 -2.86 -0.16 0.00 -0.04 0.00 0.00 33.50 30.81 1pjw n PRO 68 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1pjw s PHE 69 N 3.94 2.78 -1.42 0.54 0.08 -1.26 0.81 117.98 123.45 1pjw s PHE 69 Ca 0.52 -1.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.08 1pjw s PHE 69 Cb 0.14 -1.92 -0.07 0.00 -0.57 0.00 0.00 43.02 40.59 1pjw s PHE 69 CO 0.02 -0.68 2.69 0.28 -0.10 0.00 0.00 175.22 177.42 1pjw n VAL 70 N 4.45 3.75 -1.64 -0.44 0.31 0.60 -4.74 118.33 120.61 1pjw n VAL 70 Ca -0.20 -2.29 -0.38 0.00 -0.01 0.00 0.00 64.34 61.46 1pjw n VAL 70 Cb 0.51 -2.49 -0.02 0.00 -0.91 0.00 0.00 33.84 30.93 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 3.94 7.14 -2.37 3.52 0.00 -1.26 -2.77 120.51 128.71 1pjw n ALA 71 Ca 0.68 -3.73 -0.10 0.00 0.00 0.00 0.00 53.44 50.29 1pjw n ALA 71 Cb 0.22 -3.01 -0.09 0.00 0.00 0.00 0.00 19.45 16.57 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 0.35 0.09 -1.96 0.00 2.01 -1.26 -5.03 115.64 109.83 1pjw s THR 72 Ca 0.62 -1.71 0.25 0.00 0.31 0.00 0.00 61.69 61.15 1pjw s THR 72 Cb 0.19 -1.98 0.18 0.00 0.01 0.00 0.00 72.50 70.90 1pjw s THR 72 CO -0.08 -0.39 1.38 -0.24 -0.69 0.00 0.00 174.62 174.60 1pjw n SER 73 N -0.15 1.53 -0.02 3.53 2.88 -1.26 -4.00 113.62 116.13 1pjw n SER 73 Ca -0.06 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.26 1pjw n SER 73 Cb 0.63 0.26 0.01 0.00 -0.75 0.00 0.00 64.21 64.36 1pjw n SER 73 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1pjw n SER 74 N -0.27 1.83 0.00 -3.46 2.88 -1.26 -4.62 113.62 108.72 1pjw n SER 74 Ca 0.12 -1.80 0.02 0.00 -1.33 0.00 0.00 58.87 55.88 1pjw n SER 74 Cb 0.41 -0.01 0.11 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.36 2.32 0.43 -1.46 0.00 -1.26 -3.29 120.51 116.90 1pjw n ALA 75 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.45 1pjw n ALA 75 Cb 0.21 -1.06 0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.57 2.48 -2.17 0.00 3.02 -1.26 -3.79 115.26 112.97 1pjw n ASN 76 Ca 0.03 -2.29 -0.07 0.00 -0.03 0.00 0.00 54.58 52.22 1pjw n ASN 76 Cb 0.01 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 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 0.21 1.25 -4.56 6.41 3.41 -1.21 -4.57 113.62 114.56 1pjw n SER 77 Ca 0.09 -1.54 -0.17 0.00 -0.26 0.00 0.00 58.87 56.99 1pjw n SER 77 Cb 0.54 0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 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 -2.40 1.82 0.96 4.33 1.02 -1.26 -2.41 119.74 121.79 1pjw s LYS 78 Ca 0.04 0.15 -0.15 0.00 0.02 0.00 0.00 55.97 56.03 1pjw s LYS 78 Cb 0.00 -4.89 0.17 0.00 -0.52 0.00 0.00 37.83 32.60 1pjw s LYS 78 CO 0.03 -4.29 1.20 0.14 -0.92 0.00 0.00 175.35 171.51 1pjw s VAL 79 N 13.77 1.93 -0.10 3.17 -7.23 0.13 -4.69 120.40 127.37 1pjw s VAL 79 Ca 0.85 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 61.04 1pjw s VAL 79 Cb -0.10 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 34.03 1pjw s VAL 79 CO 0.07 0.00 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.50 1pjw s LEU 80 N -6.08 1.66 0.33 1.32 0.20 -1.26 -1.23 118.68 113.62 1pjw s LEU 80 Ca 0.68 -0.40 0.08 0.00 0.69 0.00 0.00 54.13 55.18 1pjw s LEU 80 Cb -0.10 -1.03 -0.06 0.00 -0.43 0.00 0.00 46.19 44.57 1pjw s LEU 80 CO 0.53 0.00 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.85 1pjw s VAL 81 N 1.01 1.95 0.09 1.68 1.01 -0.70 -4.95 120.40 120.50 1pjw s VAL 81 Ca -0.07 -2.14 -0.09 0.00 0.00 0.00 0.00 61.98 59.69 1pjw s VAL 81 Cb -0.15 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1pjw s VAL 81 CO -0.01 -0.19 0.21 -1.83 0.00 0.00 0.00 175.10 173.28 1pjw s GLU 82 N -3.68 0.87 0.13 2.72 1.03 -1.26 -0.78 118.70 117.73 1pjw s GLU 82 Ca 0.32 -0.96 -0.20 0.00 0.03 0.00 0.00 54.97 54.16 1pjw s GLU 82 Cb 0.04 0.35 0.05 0.00 -0.80 0.00 0.00 34.13 33.78 1pjw s GLU 82 CO 0.15 -0.28 0.51 0.00 -1.33 0.00 0.00 175.26 174.31 1pjw s MET 83 N -3.86 1.16 -0.63 -4.83 0.23 -0.66 -2.14 119.30 108.56 1pjw s MET 83 Ca 0.05 -0.51 0.04 0.00 -1.03 0.00 0.00 55.69 54.24 1pjw s MET 83 Cb 0.05 0.53 0.36 0.00 -1.53 0.00 0.00 34.83 34.23 1pjw s MET 83 CO -0.10 -0.47 1.18 -0.85 -2.03 0.00 0.00 175.02 172.74 1pjw n GLU 84 N -0.17 3.58 -1.28 3.16 0.28 0.48 -0.38 120.64 126.32 1pjw n GLU 84 Ca -0.17 -4.67 -0.29 0.00 -0.16 0.00 0.00 57.16 51.87 1pjw n GLU 84 Cb 0.64 -2.28 0.17 0.00 1.43 0.00 0.00 31.44 31.40 1pjw n GLU 84 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1pjw s PRO 85 N -3.66 0.48 0.80 3.44 0.04 -1.26 -4.37 135.00 130.47 1pjw s PRO 85 Ca 0.47 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.79 1pjw s PRO 85 Cb 0.30 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 33.17 1pjw s PRO 85 CO -0.17 -2.67 1.09 -1.25 0.04 0.00 0.00 177.00 174.04 1pjw s PRO 86 N -5.09 2.00 0.37 0.56 0.04 -1.26 -4.98 135.00 126.65 1pjw s PRO 86 Ca 0.65 1.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.47 1pjw s PRO 86 Cb -0.17 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1pjw s PRO 86 CO 0.56 -1.78 1.06 -0.59 0.04 0.00 0.00 177.00 176.30 1pjw s PHE 87 N -2.93 3.33 0.00 0.56 -0.12 -1.26 -4.89 117.98 112.66 1pjw s PHE 87 Ca 0.62 1.65 0.00 0.00 -0.05 0.00 0.00 56.93 59.15 1pjw s PHE 87 Cb -0.17 -3.17 0.00 0.00 -0.63 0.00 0.00 43.02 39.05 1pjw s PHE 87 CO 0.56 -0.63 0.00 0.41 -0.05 0.00 0.00 175.22 175.51 1pjw n GLY 88 N 0.54 1.05 3.72 1.99 0.00 -1.26 -5.01 105.19 106.22 1pjw n GLY 88 Ca 0.04 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 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 0.00 6.77 -0.01 1.61 -1.08 -1.26 -4.33 116.67 118.37 1pjw s ASP 89 Ca 0.00 2.43 0.08 0.00 -0.52 0.00 0.00 52.55 54.54 1pjw s ASP 89 Cb 0.00 -2.60 -0.02 0.00 -1.46 0.00 0.00 42.92 38.84 1pjw s ASP 89 CO 0.00 -0.67 -0.26 -0.44 0.52 0.00 0.00 175.17 174.32 1pjw s SER 90 N 0.91 3.03 -0.52 -0.34 0.01 -0.41 0.26 113.70 116.64 1pjw s SER 90 Ca 0.64 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 57.22 1pjw s SER 90 Cb -0.39 -0.33 0.06 0.00 0.21 0.00 0.00 66.02 65.58 1pjw s SER 90 CO 0.33 0.31 0.65 -0.31 0.41 0.00 0.00 173.24 174.62 1pjw s TYR 91 N -0.63 3.03 -0.22 2.43 1.51 0.77 -2.11 117.35 122.13 1pjw s TYR 91 Ca 0.10 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.46 1pjw s TYR 91 Cb -0.10 -3.62 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 1pjw s TYR 91 CO -0.00 -1.08 0.25 0.42 -1.11 0.00 0.00 175.55 174.02 1pjw s ILE 92 N 2.69 5.30 -0.11 2.71 -1.09 -1.04 -2.37 121.20 127.29 1pjw s ILE 92 Ca 0.15 0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.97 1pjw s ILE 92 Cb -0.20 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1pjw s ILE 92 CO 0.11 0.32 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.30 1pjw s VAL 93 N 1.09 1.50 -0.41 2.92 1.01 -1.00 -0.17 120.40 125.34 1pjw s VAL 93 Ca 0.12 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 1pjw s VAL 93 Cb -0.14 -1.38 0.08 0.00 0.00 0.00 0.00 36.38 34.94 1pjw s VAL 93 CO 0.05 0.44 0.25 -0.69 0.00 0.00 0.00 175.10 175.16 1pjw s VAL 94 N 1.02 4.20 0.04 2.92 1.01 0.29 -1.20 120.40 128.69 1pjw s VAL 94 Ca -0.06 -1.39 -0.00 0.00 0.00 0.00 0.00 61.98 60.53 1pjw s VAL 94 Cb -0.15 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1pjw s VAL 94 CO -0.02 -0.50 -0.04 -0.83 0.00 0.00 0.00 175.10 173.72 1pjw s GLY 95 N 2.08 0.41 -0.00 4.51 0.00 -0.69 -2.09 107.32 111.53 1pjw s GLY 95 Ca 0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 1pjw s GLY 95 CO 0.02 -1.05 -0.01 -0.13 0.00 0.00 0.00 173.10 171.93 1pjw n MET 96 N 0.74 0.02 -0.83 2.90 1.56 -1.22 -4.34 117.12 115.94 1pjw n MET 96 Ca -0.18 0.01 -0.05 0.00 -0.27 0.00 0.00 57.70 57.21 1pjw n MET 96 Cb 0.58 -0.28 -0.05 0.00 2.15 0.00 0.00 33.22 35.63 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 2.62 0.39 1.97 -5.12 0.00 -1.26 -5.00 105.19 98.78 1pjw n GLY 97 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pjw n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pjw n ASP 98 N 0.00 -0.40 -4.26 1.61 2.03 -1.26 -5.14 116.55 109.14 1pjw n ASP 98 Ca -0.19 0.09 -0.23 0.00 0.52 0.00 0.00 54.79 54.97 1pjw n ASP 98 Cb 0.59 0.81 -0.13 0.00 -0.72 0.00 0.00 41.12 41.67 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1pjw s LYS 99 N -2.00 1.09 0.02 -0.67 1.02 -1.26 -5.15 119.74 112.79 1pjw s LYS 99 Ca 0.00 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1pjw s LYS 99 Cb 0.00 -1.29 -0.02 0.00 -0.52 0.00 0.00 37.83 36.00 1pjw s LYS 99 CO 0.00 0.30 -0.03 1.14 -0.92 0.00 0.00 175.35 175.85 1pjw s GLN 100 N -1.78 0.28 -0.11 1.68 1.03 -1.26 -3.46 119.66 116.03 1pjw s GLN 100 Ca 0.05 -0.54 0.01 0.00 0.04 0.00 0.00 55.36 54.92 1pjw s GLN 100 Cb -0.10 0.10 0.02 0.00 0.03 0.00 0.00 33.01 33.06 1pjw s GLN 100 CO 0.04 -0.04 -0.14 -1.50 -2.54 0.00 0.00 175.29 171.11 1pjw s ILE 101 N -1.30 1.39 -0.11 3.63 -1.16 -0.89 -4.92 121.20 117.84 1pjw s ILE 101 Ca -0.14 -0.57 -0.00 0.00 -0.51 0.00 0.00 60.65 59.43 1pjw s ILE 101 Cb -0.09 -1.30 -0.03 0.00 0.61 0.00 0.00 42.46 41.66 1pjw s ILE 101 CO -0.01 0.42 -0.08 0.54 -2.81 0.00 0.00 174.94 173.00 1pjw s ASN 102 N 1.14 4.48 -0.10 4.50 4.22 -1.26 -0.55 114.94 127.38 1pjw s ASN 102 Ca -0.04 -0.14 0.01 0.00 -2.14 0.00 0.00 52.86 50.55 1pjw s ASN 102 Cb -0.14 -1.41 0.02 0.00 1.28 0.00 0.00 41.25 40.99 1pjw s ASN 102 CO -0.03 0.26 -0.12 -1.00 -2.04 0.00 0.00 177.10 174.17 1pjw s HIS 103 N -0.20 1.69 -0.77 1.54 3.76 0.76 -4.94 115.29 117.12 1pjw s HIS 103 Ca 0.02 -0.79 -0.26 0.00 -0.15 0.00 0.00 55.06 53.88 1pjw s HIS 103 Cb -0.13 -1.28 0.03 0.00 1.11 0.00 0.00 32.58 32.30 1pjw s HIS 103 CO 0.03 -0.46 1.37 -1.01 -0.85 0.00 0.00 174.74 173.81 1pjw s HIS 104 N 1.21 2.25 0.36 1.40 3.76 -1.26 -2.49 115.29 120.52 1pjw s HIS 104 Ca -0.03 -0.07 0.01 0.00 -0.15 0.00 0.00 55.06 54.81 1pjw s HIS 104 Cb -0.14 -4.58 -0.03 0.00 1.11 0.00 0.00 32.58 28.94 1pjw s HIS 104 CO -0.04 -2.08 0.56 -1.58 -0.85 0.00 0.00 174.74 170.76 1pjw s TRP 105 N 6.01 3.44 -0.15 1.40 0.23 -0.90 -4.90 118.94 124.07 1pjw s TRP 105 Ca 0.40 0.30 -0.12 0.00 -2.03 0.00 0.00 56.10 54.65 1pjw s TRP 105 Cb -0.07 -1.96 0.04 0.00 0.03 0.00 0.00 33.47 31.51 1pjw s TRP 105 CO 0.12 0.04 0.39 -3.38 0.96 0.00 0.00 176.95 175.08 1pjw s HIS 106 N -2.35 -0.47 -1.19 -1.98 -3.43 -1.26 -1.29 115.29 103.32 1pjw s HIS 106 Ca 0.41 1.10 0.22 0.00 -0.80 0.00 0.00 55.06 55.99 1pjw s HIS 106 Cb -0.10 0.18 -0.10 0.00 -1.43 0.00 0.00 32.58 31.13 1pjw s HIS 106 CO 0.36 -0.25 0.99 1.17 -2.00 0.00 0.00 174.74 175.02 1pjw n LYS 107 N 3.33 0.22 -3.71 -0.38 4.81 -1.26 -4.87 118.16 116.29 1pjw n LYS 107 Ca -0.17 -0.18 -0.36 0.00 -0.87 0.00 0.00 58.31 56.74 1pjw n LYS 107 Cb 0.56 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.03 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 -2.90 3.61 -0.74 3.14 0.00 -1.26 -5.01 121.76 118.59 1pjw s ALA 108 Ca 0.10 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 1pjw s ALA 108 Cb 0.17 -2.24 0.11 0.00 0.00 0.00 0.00 23.12 21.15 1pjw s ALA 108 CO 0.80 -0.07 0.94 0.20 0.00 0.00 0.00 175.76 177.63 1pjw s GLY 109 N 0.82 1.71 -0.00 0.00 0.00 -1.26 -4.82 107.32 103.77 1pjw s GLY 109 Ca 0.07 -2.31 -0.01 0.00 0.00 0.00 0.00 44.72 42.47 1pjw s GLY 109 CO 0.02 1.89 -0.02 1.44 0.00 0.00 0.00 173.10 176.44 1pjw n SER 110 N 6.82 0.16 0.00 1.64 7.64 -1.26 -5.30 113.62 123.32 1pjw n SER 110 Ca 0.05 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1pjw n SER 110 Cb 0.46 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1pjw n SER 110 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10