#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 1.10 -0.19 -0.67 2.47 -1.26 -5.13 119.74 116.07 1pjw s LYS 2 Ca 0.00 -0.41 -0.29 0.00 -1.56 0.00 0.00 55.97 53.71 1pjw s LYS 2 Cb 0.00 0.51 -0.00 0.00 -1.46 0.00 0.00 37.83 36.88 1pjw s LYS 2 CO 0.00 -0.48 1.09 -0.48 0.16 0.00 0.00 175.35 175.64 1pjw s LEU 3 N -2.65 4.15 -0.71 5.43 0.05 -1.26 -4.98 118.68 118.70 1pjw s LEU 3 Ca 0.03 1.49 -0.15 0.00 0.05 0.00 0.00 54.13 55.55 1pjw s LEU 3 Cb -0.01 -3.54 0.18 0.00 -2.05 0.00 0.00 46.19 40.77 1pjw s LEU 3 CO -0.11 -0.66 0.67 0.00 -0.55 0.00 0.00 176.35 175.71 1pjw s ALA 4 N 3.05 3.88 -0.09 1.48 0.00 -1.26 -5.04 121.76 123.79 1pjw s ALA 4 Ca 0.48 -2.98 0.00 0.00 0.00 0.00 0.00 51.96 49.46 1pjw s ALA 4 Cb -0.17 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 1pjw s ALA 4 CO 0.10 -2.20 -0.08 -1.17 0.00 0.00 0.00 175.76 172.41 1pjw s LEU 5 N 0.85 3.06 0.21 0.00 2.96 -1.26 -5.12 118.68 119.38 1pjw s LEU 5 Ca 0.12 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 1pjw s LEU 5 Cb -0.18 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1pjw s LEU 5 CO -0.04 0.31 -0.00 -1.59 -1.32 0.00 0.00 176.35 173.71 1pjw s LYS 6 N -0.48 1.27 -0.17 1.98 0.00 -1.26 -5.04 119.74 116.05 1pjw s LYS 6 Ca 0.07 -1.63 0.16 0.00 0.00 0.00 0.00 55.97 54.56 1pjw s LYS 6 Cb -0.12 -0.51 0.68 0.00 0.00 0.00 0.00 37.83 37.88 1pjw s LYS 6 CO 0.02 -0.11 1.59 0.41 0.00 0.00 0.00 175.35 177.27 1pjw n GLY 7 N -0.37 3.19 3.30 0.59 0.00 -1.26 -4.86 105.19 105.78 1pjw n GLY 7 Ca -0.05 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.37 4.89 0.30 2.61 -4.23 -1.26 -5.02 115.64 110.56 1pjw s THR 8 Ca 0.48 -1.47 -0.07 0.00 -1.18 0.00 0.00 61.69 59.44 1pjw s THR 8 Cb 0.35 -4.10 0.03 0.00 1.34 0.00 0.00 72.50 70.12 1pjw s THR 8 CO 0.17 -0.76 0.53 1.07 -0.54 0.00 0.00 174.62 175.09 1pjw n THR 9 N 5.13 0.00 -0.70 3.99 5.66 -1.26 -5.15 114.28 121.94 1pjw n THR 9 Ca -0.12 -1.07 -0.24 0.00 -3.05 0.00 0.00 64.05 59.57 1pjw n THR 9 Cb 0.41 0.83 0.11 0.00 -1.55 0.00 0.00 70.33 70.13 1pjw n THR 9 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1pjw n TYR 10 N -0.44 -1.71 -2.43 1.09 4.01 -1.26 -4.80 117.16 111.62 1pjw n TYR 10 Ca -0.04 0.28 -0.42 0.00 -0.16 0.00 0.00 57.90 57.56 1pjw n TYR 10 Cb 0.47 -1.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.05 1pjw n TYR 10 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1pjw s GLY 11 N -1.58 1.99 -0.35 2.72 0.00 -1.26 -4.93 107.32 103.91 1pjw s GLY 11 Ca 0.36 0.61 -0.29 0.00 0.00 0.00 0.00 44.72 45.41 1pjw s GLY 11 CO 0.45 2.30 1.19 -3.16 0.00 0.00 0.00 173.10 173.88 1pjw s MET 12 N 2.49 3.91 -0.24 2.90 0.23 -1.26 -4.17 119.30 123.16 1pjw s MET 12 Ca 0.56 1.03 -0.03 0.00 -1.03 0.00 0.00 55.69 56.23 1pjw s MET 12 Cb -0.25 -3.84 0.12 0.00 -1.53 0.00 0.00 34.83 29.33 1pjw s MET 12 CO 0.21 -1.12 0.32 0.00 -2.03 0.00 0.00 175.02 172.40 1pjw n THR 14 N 5.34 0.00 1.65 0.00 -1.04 -1.24 -4.47 114.28 114.52 1pjw n THR 14 Ca -0.04 -1.13 0.00 0.00 -2.04 0.00 0.00 64.05 60.84 1pjw n THR 14 Cb 0.49 0.96 0.00 0.00 -1.82 0.00 0.00 70.33 69.97 1pjw n THR 14 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1pjw n GLU 15 N -1.10 0.84 -2.89 -2.82 -0.00 -1.26 -4.06 120.64 109.35 1pjw n GLU 15 Ca -0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 57.16 56.71 1pjw n GLU 15 Cb 0.84 -1.02 -0.02 0.00 -0.00 0.00 0.00 31.44 31.25 1pjw n GLU 15 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1pjw n LYS 16 N -0.48 4.04 -3.62 3.44 0.00 -1.26 -4.81 118.16 115.48 1pjw n LYS 16 Ca 0.00 -4.76 -0.32 0.00 -0.00 0.00 0.00 58.31 53.23 1pjw n LYS 16 Cb 0.01 -2.34 -0.05 0.00 -0.00 0.00 0.00 35.03 32.65 1pjw n LYS 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1pjw s PHE 17 N -3.62 3.49 -0.20 5.58 0.40 -1.26 -2.81 117.98 119.57 1pjw s PHE 17 Ca 0.43 0.65 0.01 0.00 -0.60 0.00 0.00 56.93 57.42 1pjw s PHE 17 Cb 0.22 -2.07 0.04 0.00 0.51 0.00 0.00 43.02 41.72 1pjw s PHE 17 CO -0.10 0.44 -0.09 0.45 0.70 0.00 0.00 175.22 176.61 1pjw s SER 18 N -2.25 3.35 -0.21 1.36 0.15 -0.45 -4.91 113.70 110.74 1pjw s SER 18 Ca 0.40 -0.88 -0.29 0.00 0.70 0.00 0.00 55.95 55.88 1pjw s SER 18 Cb -0.12 -1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.97 1pjw s SER 18 CO 0.22 -0.16 1.90 -0.36 1.20 0.00 0.00 173.24 176.04 1pjw s PHE 19 N 1.43 1.62 -0.16 3.44 0.08 -1.26 -0.42 117.98 122.71 1pjw s PHE 19 Ca -0.01 0.42 0.11 0.00 0.12 0.00 0.00 56.93 57.56 1pjw s PHE 19 Cb -0.16 -4.04 -0.23 0.00 -0.57 0.00 0.00 43.02 38.02 1pjw s PHE 19 CO -0.08 -3.68 0.19 0.00 -0.10 0.00 0.00 175.22 171.55 1pjw n ALA 20 N 9.77 1.42 -2.14 5.36 0.00 0.40 -4.93 120.51 130.39 1pjw n ALA 20 Ca 0.23 -1.07 -0.09 0.00 0.00 0.00 0.00 53.44 52.51 1pjw n ALA 20 Cb 0.45 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.53 0.84 0.76 0.00 1.02 -1.07 -5.02 119.74 113.73 1pjw s LYS 21 Ca -0.15 -1.37 -0.11 0.00 0.02 0.00 0.00 55.97 54.36 1pjw s LYS 21 Cb 0.07 0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.55 1pjw s LYS 21 CO 0.78 -0.17 1.09 0.54 -0.92 0.00 0.00 175.35 176.67 1pjw s ASN 22 N -3.02 4.92 0.03 2.83 4.22 -1.26 -4.33 114.94 118.32 1pjw s ASN 22 Ca 0.17 1.26 -0.30 0.00 -2.14 0.00 0.00 52.86 51.85 1pjw s ASN 22 Cb 0.07 -2.03 -0.06 0.00 1.28 0.00 0.00 41.25 40.51 1pjw s ASN 22 CO -0.02 -1.69 1.36 -2.16 -2.04 0.00 0.00 177.10 172.54 1pjw s PRO 23 N -5.22 4.31 0.11 3.55 0.04 -1.26 -4.72 135.00 131.81 1pjw s PRO 23 Ca 0.60 1.94 0.10 0.00 0.04 0.00 0.00 61.00 63.67 1pjw s PRO 23 Cb -0.13 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 1pjw s PRO 23 CO 0.53 -0.50 -0.25 0.00 0.04 0.00 0.00 177.00 176.83 1pjw s ALA 24 N 1.95 2.18 -0.24 8.56 0.00 -0.69 -4.85 121.76 128.67 1pjw s ALA 24 Ca 0.63 -1.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 1pjw s ALA 24 Cb -0.32 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1pjw s ALA 24 CO 0.27 0.49 0.41 0.34 0.00 0.00 0.00 175.76 177.27 1pjw s ASP 25 N -1.84 6.35 -0.13 0.00 -1.08 -1.26 1.00 116.67 119.71 1pjw s ASP 25 Ca 0.11 0.42 -0.25 0.00 -0.52 0.00 0.00 52.55 52.31 1pjw s ASP 25 Cb -0.10 -2.23 -0.22 0.00 -1.46 0.00 0.00 42.92 38.91 1pjw s ASP 25 CO 0.05 -0.16 0.70 0.71 0.52 0.00 0.00 175.17 176.99 1pjw h THR 26 N 5.25 1.54 0.00 1.71 1.35 -1.49 -3.49 112.91 117.79 1pjw h THR 26 Ca -0.33 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1pjw h THR 26 Cb 1.16 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 1pjw h THR 26 CO 0.68 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 177.08 1pjw n GLY 27 N 1.54 2.03 2.90 5.82 0.00 -1.26 -5.07 105.19 111.15 1pjw n GLY 27 Ca -0.09 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 1.81 2.23 0.00 1.61 2.46 -1.26 -4.72 115.29 117.42 1pjw s HIS 28 Ca 0.00 -1.72 0.00 0.00 0.47 0.00 0.00 55.06 53.81 1pjw s HIS 28 Cb 0.00 -1.61 0.00 0.00 -0.13 0.00 0.00 32.58 30.84 1pjw s HIS 28 CO 0.00 -0.77 0.00 0.41 -2.47 0.00 0.00 174.74 171.91 1pjw n GLY 29 N 4.71 0.82 2.74 1.59 0.00 -1.26 -5.05 105.19 108.74 1pjw n GLY 29 Ca -0.10 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.10 -0.33 0.05 2.61 -4.23 -1.26 -4.49 115.64 105.90 1pjw s THR 30 Ca 0.00 -0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 1pjw s THR 30 Cb 0.00 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 73.05 1pjw s THR 30 CO 0.00 -0.27 0.10 -0.69 -0.54 0.00 0.00 174.62 173.22 1pjw s VAL 31 N 2.33 4.73 -0.07 2.29 1.01 0.31 -1.13 120.40 129.87 1pjw s VAL 31 Ca 0.08 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1pjw s VAL 31 Cb -0.15 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 1pjw s VAL 31 CO -0.17 0.20 -0.21 0.68 0.00 0.00 0.00 175.10 175.60 1pjw s VAL 32 N -1.35 1.78 -0.05 2.92 -7.23 0.28 -1.48 120.40 115.27 1pjw s VAL 32 Ca 0.28 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 1pjw s VAL 32 Cb -0.12 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.29 1pjw s VAL 32 CO 0.20 0.50 -0.13 -0.51 -0.31 0.00 0.00 175.10 174.85 1pjw s ILE 33 N 0.17 1.17 -0.33 -0.62 1.10 -1.01 -1.70 121.20 119.97 1pjw s ILE 33 Ca -0.10 -0.55 -0.07 0.00 -0.51 0.00 0.00 60.65 59.42 1pjw s ILE 33 Cb -0.15 -1.03 0.03 0.00 0.15 0.00 0.00 42.46 41.46 1pjw s ILE 33 CO 0.05 0.35 0.11 -0.70 -2.11 0.00 0.00 174.94 172.64 1pjw s GLU 34 N 0.29 2.78 0.02 3.50 2.12 -1.26 -1.19 118.70 124.95 1pjw s GLU 34 Ca -0.07 -1.08 0.07 0.00 0.36 0.00 0.00 54.97 54.24 1pjw s GLU 34 Cb -0.12 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 1pjw s GLU 34 CO 0.02 -0.61 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.43 1pjw s LEU 35 N 1.45 2.12 -0.16 2.70 1.02 -0.68 -0.45 118.68 124.67 1pjw s LEU 35 Ca -0.00 -0.45 -0.21 0.00 0.02 0.00 0.00 54.13 53.49 1pjw s LEU 35 Cb -0.19 -0.96 -0.03 0.00 0.02 0.00 0.00 46.19 45.04 1pjw s LEU 35 CO 0.03 0.18 0.60 -0.44 0.02 0.00 0.00 176.35 176.74 1pjw s SER 36 N -0.90 6.73 -0.57 2.29 0.01 0.44 0.17 113.70 121.86 1pjw s SER 36 Ca 0.07 0.88 -0.20 0.00 1.31 0.00 0.00 55.95 58.01 1pjw s SER 36 Cb -0.08 -2.34 0.08 0.00 0.21 0.00 0.00 66.02 63.89 1pjw s SER 36 CO 0.01 -0.18 0.72 -0.47 0.41 0.00 0.00 173.24 173.73 1pjw s TYR 37 N 1.43 2.97 -1.15 2.43 5.04 -1.02 -1.34 117.35 125.70 1pjw s TYR 37 Ca 0.29 -0.76 -0.06 0.00 -2.44 0.00 0.00 57.07 54.10 1pjw s TYR 37 Cb -0.16 -3.91 0.26 0.00 0.35 0.00 0.00 41.96 38.50 1pjw s TYR 37 CO 0.12 -1.26 1.64 -1.13 -1.34 0.00 0.00 175.55 173.57 1pjw n SER 38 N 6.48 6.02 -4.29 4.32 3.41 -1.12 -3.73 113.62 124.71 1pjw n SER 38 Ca -0.08 -3.32 -0.32 0.00 -0.26 0.00 0.00 58.87 54.89 1pjw n SER 38 Cb 0.44 -1.34 -0.16 0.00 -0.26 0.00 0.00 64.21 62.89 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 -0.90 1.42 -0.08 5.00 0.00 -1.26 -4.95 107.32 106.55 1pjw s GLY 39 Ca 0.34 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1pjw s GLY 39 CO 0.07 -0.32 1.01 1.44 0.00 0.00 0.00 173.10 175.31 1pjw n SER 40 N 3.43 2.67 -0.65 1.64 7.64 -1.26 -3.62 113.62 123.47 1pjw n SER 40 Ca -0.18 -2.29 0.09 0.00 1.01 0.00 0.00 58.87 57.49 1pjw n SER 40 Cb 0.53 -0.56 0.06 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.14 2.33 0.00 6.43 9.92 -1.26 -5.09 116.55 129.02 1pjw n ASP 41 Ca 0.10 -1.67 0.00 0.00 -0.53 0.00 0.00 54.79 52.69 1pjw n ASP 41 Cb 0.63 0.09 0.00 0.00 -0.64 0.00 0.00 41.12 41.20 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pjw n GLY 42 N 1.04 -1.39 3.75 0.44 0.00 -1.24 -4.87 105.19 102.93 1pjw n GLY 42 Ca 0.10 -1.56 -0.41 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 4.51 0.14 1.61 0.04 -1.26 -4.93 135.00 135.11 1pjw s PRO 43 Ca 0.00 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 1pjw s PRO 43 Cb 0.00 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.37 1pjw s PRO 43 CO 0.00 -0.02 0.40 0.00 0.04 0.00 0.00 177.00 177.42 1pjw s LYS 45 N -3.83 4.49 -0.50 0.00 -0.14 -1.26 -2.19 119.74 116.30 1pjw s LYS 45 Ca 0.05 1.68 -0.22 0.00 -1.36 0.00 0.00 55.97 56.13 1pjw s LYS 45 Cb 0.02 -3.36 0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1pjw s LYS 45 CO -0.10 -0.16 0.78 0.42 -0.76 0.00 0.00 175.35 175.53 1pjw s ILE 46 N 0.84 4.64 -0.66 2.17 1.01 -0.64 -2.60 121.20 125.96 1pjw s ILE 46 Ca 0.56 0.09 -0.27 0.00 0.00 0.00 0.00 60.65 61.02 1pjw s ILE 46 Cb -0.28 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1pjw s ILE 46 CO 0.30 -0.86 1.56 -2.16 0.00 0.00 0.00 174.94 173.78 1pjw s PRO 47 N 3.28 2.95 0.03 2.79 0.04 -1.26 -4.21 135.00 138.62 1pjw s PRO 47 Ca 0.25 0.24 0.02 0.00 0.04 0.00 0.00 61.00 61.55 1pjw s PRO 47 Cb -0.14 -4.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.11 1pjw s PRO 47 CO 0.18 -2.39 -0.07 0.42 0.04 0.00 0.00 177.00 175.18 1pjw s ILE 48 N 7.30 0.51 0.29 0.56 1.01 -1.26 -1.61 121.20 127.99 1pjw s ILE 48 Ca 0.52 -0.81 0.10 0.00 0.00 0.00 0.00 60.65 60.46 1pjw s ILE 48 Cb -0.11 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 1pjw s ILE 48 CO 0.19 -0.22 -0.15 0.68 0.00 0.00 0.00 174.94 175.44 1pjw s VAL 49 N -0.98 2.24 -0.26 2.92 -7.23 -0.71 -4.97 120.40 111.40 1pjw s VAL 49 Ca -0.06 -2.31 -0.02 0.00 -1.81 0.00 0.00 61.98 57.79 1pjw s VAL 49 Cb -0.07 -2.37 0.08 0.00 0.56 0.00 0.00 36.38 34.58 1pjw s VAL 49 CO 0.00 -0.37 0.06 -0.44 -0.31 0.00 0.00 175.10 174.05 1pjw s SER 50 N -3.50 3.61 0.19 4.85 0.01 -1.26 -2.43 113.70 115.16 1pjw s SER 50 Ca 0.30 -1.30 0.07 0.00 1.31 0.00 0.00 55.95 56.33 1pjw s SER 50 Cb -0.02 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1pjw s SER 50 CO 0.14 -0.36 -0.14 0.68 0.41 0.00 0.00 173.24 173.96 1pjw s VAL 51 N 1.71 1.64 1.01 3.43 -7.23 -1.02 0.28 120.40 120.22 1pjw s VAL 51 Ca 0.05 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 57.97 1pjw s VAL 51 Cb -0.17 -1.95 0.13 0.00 0.56 0.00 0.00 36.38 34.94 1pjw s VAL 51 CO -0.18 -0.57 0.65 0.00 -0.31 0.00 0.00 175.10 174.69 1pjw n ALA 52 N -0.20 -2.44 -1.65 1.32 0.00 -1.26 0.29 120.51 116.57 1pjw n ALA 52 Ca -0.09 -0.82 -0.43 0.00 0.00 0.00 0.00 53.44 52.10 1pjw n ALA 52 Cb 0.60 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1pjw n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pjw n SER 53 N -2.87 3.99 -0.08 0.00 2.88 -0.60 -1.56 113.62 115.38 1pjw n SER 53 Ca 0.06 0.80 -0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1pjw n SER 53 Cb 0.55 -1.52 -0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1pjw n SER 53 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1pjw n LEU 54 N 8.09 -1.07 -3.81 2.46 7.94 -1.26 -4.82 117.00 124.53 1pjw n LEU 54 Ca 0.22 -0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.83 1pjw n LEU 54 Cb 0.40 -0.56 -0.13 0.00 0.53 0.00 0.00 43.42 43.67 1pjw n LEU 54 CO 0.68 -0.00 -0.15 0.20 -1.11 0.00 0.00 177.39 177.01 1pjw s ASN 55 N -2.98 4.04 0.00 1.96 -0.87 -0.60 -4.88 114.94 111.60 1pjw s ASN 55 Ca 0.00 -3.28 0.21 0.00 -1.57 0.00 0.00 52.86 48.23 1pjw s ASN 55 Cb -0.00 -1.36 0.59 0.00 -0.02 0.00 0.00 41.25 40.46 1pjw s ASN 55 CO 0.00 -0.17 1.50 -0.90 -2.57 0.00 0.00 177.10 174.95 1pjw n ASP 56 N 2.71 3.81 0.00 -1.22 5.68 -1.26 -4.23 116.55 122.04 1pjw n ASP 56 Ca 0.15 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 1pjw n ASP 56 Cb 0.36 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1pjw n ASP 56 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1pjw n MET 57 N 1.49 4.42 -3.88 0.11 2.81 -1.26 -4.99 117.12 115.82 1pjw n MET 57 Ca 0.23 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.85 1pjw n MET 57 Cb 0.60 -0.56 -0.17 0.00 -0.71 0.00 0.00 33.22 32.38 1pjw n MET 57 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1pjw s THR 58 N -1.07 0.95 0.23 2.03 2.01 -1.26 -5.11 115.64 113.43 1pjw s THR 58 Ca 0.00 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 1pjw s THR 58 Cb 0.00 -1.02 -0.09 0.00 0.01 0.00 0.00 72.50 71.40 1pjw s THR 58 CO 0.00 0.30 1.21 -2.16 -0.69 0.00 0.00 174.62 173.29 1pjw s PRO 59 N 1.73 4.49 0.00 4.92 0.04 -1.26 -4.60 135.00 140.32 1pjw s PRO 59 Ca 0.04 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1pjw s PRO 59 Cb -0.13 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1pjw s PRO 59 CO -0.08 -0.06 0.00 0.28 0.04 0.00 0.00 177.00 177.18 1pjw n VAL 60 N 1.93 0.00 -2.36 -0.36 0.31 -1.23 -4.98 118.33 111.63 1pjw n VAL 60 Ca 0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.98 1pjw n VAL 60 Cb 0.44 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.34 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 -1.87 2.81 0.20 2.92 0.00 0.78 -4.61 107.32 107.56 1pjw s GLY 61 Ca 0.00 0.88 0.09 0.00 0.00 0.00 0.00 44.72 45.69 1pjw s GLY 61 CO 0.00 1.35 -0.18 0.50 0.00 0.00 0.00 173.10 174.77 1pjw s ARG 62 N -2.44 1.38 -0.21 2.90 1.81 -1.24 -4.46 118.95 116.69 1pjw s ARG 62 Ca 0.59 -1.53 -0.09 0.00 -1.72 0.00 0.00 55.73 52.97 1pjw s ARG 62 Cb -0.27 -1.40 -0.05 0.00 -0.45 0.00 0.00 34.95 32.78 1pjw s ARG 62 CO 0.34 0.27 0.11 -0.51 -0.68 0.00 0.00 175.30 174.84 1pjw s LEU 63 N -2.99 3.99 0.20 2.53 1.43 -1.26 0.11 118.68 122.69 1pjw s LEU 63 Ca 0.21 0.11 0.17 0.00 -1.03 0.00 0.00 54.13 53.58 1pjw s LEU 63 Cb -0.04 -2.04 0.82 0.00 0.03 0.00 0.00 46.19 44.95 1pjw s LEU 63 CO 0.08 0.12 1.53 0.52 0.23 0.00 0.00 176.35 178.83 1pjw n VAL 64 N 3.91 1.14 -4.14 -1.59 0.31 -0.87 -4.72 118.33 112.38 1pjw n VAL 64 Ca -0.16 0.47 -0.10 0.00 -0.01 0.00 0.00 64.34 64.54 1pjw n VAL 64 Cb 0.52 -1.41 -0.10 0.00 -0.91 0.00 0.00 33.84 31.94 1pjw n VAL 64 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1pjw s THR 65 N -3.30 0.09 0.08 2.52 -1.32 -1.26 -5.00 115.64 107.45 1pjw s THR 65 Ca 0.01 -1.87 -0.01 0.00 -1.21 0.00 0.00 61.69 58.61 1pjw s THR 65 Cb 0.06 -2.08 0.02 0.00 -1.51 0.00 0.00 72.50 68.99 1pjw s THR 65 CO 0.23 -0.39 0.04 0.52 -2.21 0.00 0.00 174.62 172.81 1pjw n VAL 66 N -0.13 0.00 -1.56 5.08 0.31 -1.26 -4.71 118.33 116.06 1pjw n VAL 66 Ca -0.05 0.00 -0.52 0.00 -0.01 0.00 0.00 64.34 63.77 1pjw n VAL 66 Cb 0.64 -0.05 -0.05 0.00 -0.91 0.00 0.00 33.84 33.47 1pjw n VAL 66 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1pjw n ASN 67 N -2.35 1.02 -4.15 4.52 5.15 -1.26 -4.75 115.26 113.44 1pjw n ASN 67 Ca 0.01 1.14 -0.38 0.00 -0.60 0.00 0.00 54.58 54.74 1pjw n ASN 67 Cb 0.03 -1.14 -0.04 0.00 -0.53 0.00 0.00 39.78 38.10 1pjw n ASN 67 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1pjw n PRO 68 N 1.90 2.07 -3.57 1.20 -0.04 -1.26 -4.90 135.00 130.39 1pjw n PRO 68 Ca 0.17 -2.45 -0.37 0.00 -0.04 0.00 0.00 63.50 60.81 1pjw n PRO 68 Cb 0.20 -3.36 -0.06 0.00 -0.04 0.00 0.00 33.50 30.23 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 6.65 3.63 -1.12 0.54 -0.12 -1.26 -1.63 117.98 124.67 1pjw s PHE 69 Ca 0.59 0.80 -0.02 0.00 -0.05 0.00 0.00 56.93 58.25 1pjw s PHE 69 Cb 0.07 -2.25 0.26 0.00 -0.63 0.00 0.00 43.02 40.47 1pjw s PHE 69 CO 0.09 0.53 1.97 0.28 -0.05 0.00 0.00 175.22 178.04 1pjw n VAL 70 N 2.40 5.82 -0.73 -2.49 0.31 -0.93 -4.87 118.33 117.84 1pjw n VAL 70 Ca -0.14 -5.50 -0.21 0.00 -0.01 0.00 0.00 64.34 58.48 1pjw n VAL 70 Cb 0.53 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 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 0.55 4.70 -2.34 3.52 0.00 -1.26 -4.05 120.51 121.63 1pjw n ALA 71 Ca 0.50 -1.95 -0.09 0.00 0.00 0.00 0.00 53.44 51.90 1pjw n ALA 71 Cb 0.26 -2.96 -0.09 0.00 0.00 0.00 0.00 19.45 16.66 1pjw n ALA 71 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1pjw s THR 72 N 3.32 0.10 -1.86 0.00 -1.32 -1.26 -5.02 115.64 109.61 1pjw s THR 72 Ca 0.40 -1.71 0.05 0.00 -1.21 0.00 0.00 61.69 59.21 1pjw s THR 72 Cb 0.11 -1.91 0.15 0.00 -1.51 0.00 0.00 72.50 69.33 1pjw s THR 72 CO -0.03 -0.46 1.07 -0.24 -2.21 0.00 0.00 174.62 172.75 1pjw n SER 73 N -0.11 1.00 -0.04 8.08 2.88 -1.26 -3.35 113.62 120.82 1pjw n SER 73 Ca -0.07 -2.02 0.03 0.00 -1.33 0.00 0.00 58.87 55.48 1pjw n SER 73 Cb 0.63 -0.16 0.05 0.00 -0.75 0.00 0.00 64.21 63.98 1pjw n SER 73 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pjw n SER 74 N -0.01 1.95 0.03 -3.46 7.64 -1.26 -4.68 113.62 113.83 1pjw n SER 74 Ca 0.05 -2.31 0.03 0.00 1.01 0.00 0.00 58.87 57.65 1pjw n SER 74 Cb 0.17 -0.15 0.16 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.77 1.13 0.37 -0.43 0.00 -1.21 -1.36 120.51 118.23 1pjw n ALA 75 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.54 1pjw n ALA 75 Cb 0.41 -1.10 0.13 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.66 2.62 -2.17 0.00 3.02 -1.24 -3.26 115.26 112.57 1pjw n ASN 76 Ca 0.00 -2.32 -0.08 0.00 -0.03 0.00 0.00 54.58 52.15 1pjw n ASN 76 Cb 0.04 -0.57 -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 -1.20 -2.62 0.00 0.00 177.26 173.44 1pjw n SER 77 N 0.18 0.76 -4.56 6.41 7.64 -0.47 -4.70 113.62 118.88 1pjw n SER 77 Ca 0.10 -1.74 -0.19 0.00 1.01 0.00 0.00 58.87 58.05 1pjw n SER 77 Cb 0.59 0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 64.13 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 -2.51 1.99 1.00 1.43 3.01 -1.26 -2.44 119.74 120.96 1pjw s LYS 78 Ca 0.08 0.11 -0.15 0.00 -1.01 0.00 0.00 55.97 55.00 1pjw s LYS 78 Cb 0.00 -4.91 0.19 0.00 -1.01 0.00 0.00 37.83 32.10 1pjw s LYS 78 CO 0.06 -4.04 1.20 0.14 0.51 0.00 0.00 175.35 173.22 1pjw s VAL 79 N 12.86 1.90 -0.03 3.17 -7.23 0.13 -4.72 120.40 126.47 1pjw s VAL 79 Ca 0.82 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 61.02 1pjw s VAL 79 Cb -0.10 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.06 1pjw s VAL 79 CO 0.05 0.00 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.54 1pjw s LEU 80 N -6.19 1.69 0.50 1.32 0.20 -1.26 -1.69 118.68 113.25 1pjw s LEU 80 Ca 0.69 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 55.35 1pjw s LEU 80 Cb -0.09 -0.53 -0.01 0.00 -0.43 0.00 0.00 46.19 45.12 1pjw s LEU 80 CO 0.54 0.04 0.02 -0.69 -0.29 0.00 0.00 176.35 175.96 1pjw s VAL 81 N 0.37 1.11 -0.05 1.68 1.01 -0.34 -4.97 120.40 119.22 1pjw s VAL 81 Ca -0.06 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 59.88 1pjw s VAL 81 Cb -0.10 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1pjw s VAL 81 CO 0.01 0.00 0.14 -0.70 0.00 0.00 0.00 175.10 174.54 1pjw s GLU 82 N -3.86 0.15 -0.05 2.72 2.12 -1.26 -2.41 118.70 116.11 1pjw s GLU 82 Ca 0.08 0.21 -0.10 0.00 0.36 0.00 0.00 54.97 55.52 1pjw s GLU 82 Cb 0.02 0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.47 1pjw s GLU 82 CO 0.04 -0.04 0.24 -1.64 -0.54 0.00 0.00 175.26 173.33 1pjw s MET 83 N 0.21 0.46 -0.68 4.30 -1.94 -0.55 -2.04 119.30 119.05 1pjw s MET 83 Ca -0.01 0.00 0.05 0.00 -1.71 0.00 0.00 55.69 54.02 1pjw s MET 83 Cb -0.02 0.20 0.26 0.00 2.01 0.00 0.00 34.83 37.28 1pjw s MET 83 CO -0.01 -0.10 0.82 -0.85 -0.01 0.00 0.00 175.02 174.88 1pjw n GLU 84 N 2.07 2.73 -1.51 2.03 0.28 0.12 -0.53 120.64 125.83 1pjw n GLU 84 Ca -0.18 -4.67 -0.30 0.00 -0.16 0.00 0.00 57.16 51.85 1pjw n GLU 84 Cb 0.57 -2.28 0.08 0.00 1.43 0.00 0.00 31.44 31.23 1pjw n GLU 84 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1pjw s PRO 85 N -2.52 2.41 0.52 3.44 0.04 -1.26 -3.64 135.00 133.99 1pjw s PRO 85 Ca 0.39 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.07 1pjw s PRO 85 Cb 0.14 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 1pjw s PRO 85 CO 0.00 -1.44 1.08 -1.25 0.04 0.00 0.00 177.00 175.42 1pjw s PRO 86 N -5.07 3.58 -0.14 0.56 0.04 -1.26 -4.91 135.00 127.80 1pjw s PRO 86 Ca 0.60 1.46 -0.36 0.00 0.04 0.00 0.00 61.00 62.73 1pjw s PRO 86 Cb -0.15 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 1pjw s PRO 86 CO 0.55 -0.63 1.82 1.19 0.04 0.00 0.00 177.00 179.97 1pjw n PHE 87 N -1.17 2.22 0.00 0.56 3.72 -1.26 -4.71 117.46 116.82 1pjw n PHE 87 Ca 0.10 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 1pjw n PHE 87 Cb 0.52 -2.59 0.00 0.00 -0.94 0.00 0.00 39.48 36.47 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 4.28 1.34 3.76 1.37 0.00 -1.26 -5.02 105.19 109.65 1pjw n GLY 88 Ca 0.24 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 7.37 0.05 1.61 -4.77 -1.26 -3.88 116.67 115.79 1pjw s ASP 89 Ca 0.00 2.08 0.03 0.00 -3.30 0.00 0.00 52.55 51.36 1pjw s ASP 89 Cb 0.00 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.19 1pjw s ASP 89 CO 0.00 -0.05 -0.09 -0.94 0.70 0.00 0.00 175.17 174.79 1pjw s SER 90 N -1.14 1.01 -0.50 2.11 1.04 -0.44 -1.55 113.70 114.24 1pjw s SER 90 Ca 0.45 -0.59 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 1pjw s SER 90 Cb -0.27 0.03 0.07 0.00 0.10 0.00 0.00 66.02 65.94 1pjw s SER 90 CO 0.34 -0.20 0.52 -0.31 0.98 0.00 0.00 173.24 174.58 1pjw s TYR 91 N -1.50 3.14 -0.09 5.02 1.51 0.85 -2.11 117.35 124.16 1pjw s TYR 91 Ca -0.07 -0.74 -0.12 0.00 -1.01 0.00 0.00 57.07 55.12 1pjw s TYR 91 Cb -0.09 -3.40 -0.05 0.00 -0.11 0.00 0.00 41.96 38.31 1pjw s TYR 91 CO 0.00 -0.94 0.30 -1.50 -1.11 0.00 0.00 175.55 172.30 1pjw s ILE 92 N 2.17 5.25 -0.18 2.71 -1.16 -0.54 -2.44 121.20 127.02 1pjw s ILE 92 Ca 0.10 0.57 0.01 0.00 -0.51 0.00 0.00 60.65 60.82 1pjw s ILE 92 Cb -0.22 -3.60 0.03 0.00 0.61 0.00 0.00 42.46 39.28 1pjw s ILE 92 CO 0.09 0.52 -0.13 -0.69 -2.81 0.00 0.00 174.94 171.92 1pjw s VAL 93 N -0.50 1.67 -0.61 4.00 1.01 -1.02 -0.35 120.40 124.60 1pjw s VAL 93 Ca 0.19 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1pjw s VAL 93 Cb -0.14 -1.63 0.16 0.00 0.00 0.00 0.00 36.38 34.76 1pjw s VAL 93 CO 0.07 0.34 0.49 -0.69 0.00 0.00 0.00 175.10 175.31 1pjw s VAL 94 N 1.42 4.50 0.27 2.92 1.01 0.03 -1.74 120.40 128.80 1pjw s VAL 94 Ca 0.02 -2.25 -0.16 0.00 0.00 0.00 0.00 61.98 59.59 1pjw s VAL 94 Cb -0.14 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1pjw s VAL 94 CO -0.10 -0.87 0.59 -0.83 0.00 0.00 0.00 175.10 173.89 1pjw s GLY 95 N 2.09 0.27 -0.07 4.51 0.00 -0.64 -2.54 107.32 110.95 1pjw s GLY 95 Ca 0.12 -0.63 -0.00 0.00 0.00 0.00 0.00 44.72 44.20 1pjw s GLY 95 CO -0.03 -0.39 -0.00 -0.33 0.00 0.00 0.00 173.10 172.35 1pjw h MET 96 N 2.13 0.00 0.00 2.90 2.86 -1.78 -3.40 114.93 117.64 1pjw h MET 96 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1pjw h MET 96 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1pjw h MET 96 CO 0.30 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.68 1pjw n GLY 97 N 1.85 -1.51 0.00 8.32 0.00 -1.26 -4.98 105.19 107.61 1pjw n GLY 97 Ca -0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1pjw n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pjw n ASP 98 N -2.65 0.00 -4.66 1.61 2.03 -1.26 -4.67 116.55 106.95 1pjw n ASP 98 Ca 0.00 0.44 -0.43 0.00 0.52 0.00 0.00 54.79 55.32 1pjw n ASP 98 Cb 0.00 -0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.16 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1pjw s LYS 99 N -1.08 4.24 0.01 -0.67 2.47 -1.26 -5.02 119.74 118.43 1pjw s LYS 99 Ca 0.00 1.35 -0.01 0.00 -1.56 0.00 0.00 55.97 55.75 1pjw s LYS 99 Cb 0.00 -3.66 -0.02 0.00 -1.46 0.00 0.00 37.83 32.70 1pjw s LYS 99 CO 0.00 -0.66 -0.01 1.14 0.16 0.00 0.00 175.35 175.98 1pjw s GLN 100 N 3.27 0.29 -0.39 4.03 1.03 -1.26 -3.67 119.66 122.95 1pjw s GLN 100 Ca 0.45 -0.51 -0.15 0.00 0.04 0.00 0.00 55.36 55.19 1pjw s GLN 100 Cb -0.15 0.11 0.01 0.00 0.03 0.00 0.00 33.01 33.01 1pjw s GLN 100 CO 0.08 -0.05 0.34 0.42 -2.54 0.00 0.00 175.29 173.53 1pjw s ILE 101 N -1.27 5.20 -0.19 3.63 -1.09 -1.05 -4.91 121.20 121.53 1pjw s ILE 101 Ca -0.14 -0.42 -0.09 0.00 -2.23 0.00 0.00 60.65 57.78 1pjw s ILE 101 Cb -0.09 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1pjw s ILE 101 CO -0.01 -0.27 0.10 0.54 -1.23 0.00 0.00 174.94 174.07 1pjw s ASN 102 N 1.73 5.97 0.32 3.58 4.22 -1.26 -0.79 114.94 128.71 1pjw s ASN 102 Ca 0.08 0.18 0.03 0.00 -2.14 0.00 0.00 52.86 51.01 1pjw s ASN 102 Cb -0.18 -2.03 -0.06 0.00 1.28 0.00 0.00 41.25 40.26 1pjw s ASN 102 CO 0.11 0.19 0.07 -1.00 -2.04 0.00 0.00 177.10 174.43 1pjw s HIS 103 N 0.31 1.90 -0.12 1.54 3.76 0.53 -4.97 115.29 118.24 1pjw s HIS 103 Ca 0.06 -1.01 0.02 0.00 -0.15 0.00 0.00 55.06 53.98 1pjw s HIS 103 Cb -0.12 -1.23 0.01 0.00 1.11 0.00 0.00 32.58 32.35 1pjw s HIS 103 CO -0.01 -0.05 -0.17 -3.38 -0.85 0.00 0.00 174.74 170.28 1pjw s HIS 104 N -3.34 2.18 -0.07 1.40 -3.43 -1.26 -1.47 115.29 109.29 1pjw s HIS 104 Ca 0.36 -1.05 0.04 0.00 -0.80 0.00 0.00 55.06 53.61 1pjw s HIS 104 Cb 0.08 -1.54 -0.00 0.00 -1.43 0.00 0.00 32.58 29.69 1pjw s HIS 104 CO 0.15 -0.52 -0.20 -1.58 -2.00 0.00 0.00 174.74 170.59 1pjw s TRP 105 N 0.93 2.09 -0.14 0.38 0.51 -0.90 -4.95 118.94 116.87 1pjw s TRP 105 Ca -0.07 -0.73 0.02 0.00 -2.12 0.00 0.00 56.10 53.20 1pjw s TRP 105 Cb -0.15 -1.41 0.00 0.00 -0.81 0.00 0.00 33.47 31.10 1pjw s TRP 105 CO -0.02 -0.28 -0.19 -3.38 -0.51 0.00 0.00 176.95 172.57 1pjw s HIS 106 N 0.21 2.70 -0.49 -1.98 -3.43 -1.26 -1.33 115.29 109.71 1pjw s HIS 106 Ca -0.11 -1.12 0.23 0.00 -0.80 0.00 0.00 55.06 53.27 1pjw s HIS 106 Cb -0.15 -1.82 0.18 0.00 -1.43 0.00 0.00 32.58 29.36 1pjw s HIS 106 CO 0.05 -0.49 1.19 -0.22 -2.00 0.00 0.00 174.74 173.27 1pjw h LYS 107 N 7.13 0.00 0.00 -0.38 3.11 -1.94 -3.48 116.57 121.01 1pjw h LYS 107 Ca -0.29 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1pjw h LYS 107 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1pjw h LYS 107 CO 0.54 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 177.18 1pjw n ALA 108 N -1.96 0.00 -2.56 5.00 0.00 -1.26 -4.98 120.51 114.76 1pjw n ALA 108 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 1pjw n ALA 108 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 1pjw n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pjw s GLY 109 N 0.00 1.53 -0.45 0.00 0.00 -1.26 -4.39 107.32 102.75 1pjw s GLY 109 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 43.93 1pjw s GLY 109 CO 0.00 1.93 1.38 -1.14 0.00 0.00 0.00 173.10 175.27 1pjw n SER 110 N 6.94 5.54 0.00 1.64 3.41 -1.26 -5.15 113.62 124.75 1pjw n SER 110 Ca 0.05 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 1pjw n SER 110 Cb 0.48 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1pjw n SER 110 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29