#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uw0 s ALA 2 N 0.00 2.81 -0.10 3.04 0.00 -1.26 -5.14 121.76 121.11 1uw0 s ALA 2 Ca 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 51.96 50.05 1uw0 s ALA 2 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1uw0 s ALA 2 CO 0.00 0.22 -0.17 -1.21 0.00 0.00 0.00 175.76 174.60 1uw0 s GLU 3 N -3.54 2.36 0.12 0.00 0.41 -1.26 -5.14 118.70 111.65 1uw0 s GLU 3 Ca 0.31 -0.63 0.03 0.00 -0.41 0.00 0.00 54.97 54.27 1uw0 s GLU 3 Cb -0.03 -1.92 -0.04 0.00 -1.78 0.00 0.00 34.13 30.36 1uw0 s GLU 3 CO 0.15 0.02 -0.08 1.14 -0.49 0.00 0.00 175.26 176.00 1uw0 s GLN 4 N 0.75 0.93 -0.03 1.61 -2.07 -1.26 -4.31 119.66 115.28 1uw0 s GLN 4 Ca -0.11 -1.36 -0.03 0.00 -1.82 0.00 0.00 55.36 52.04 1uw0 s GLN 4 Cb -0.16 -0.42 0.01 0.00 -1.09 0.00 0.00 33.01 31.36 1uw0 s GLN 4 CO 0.02 0.03 0.08 0.50 -1.32 0.00 0.00 175.29 174.61 1uw0 s ARG 5 N -3.68 0.08 -0.00 9.60 3.52 -1.03 -5.02 118.95 122.41 1uw0 s ARG 5 Ca 0.13 0.15 0.07 0.00 -0.13 0.00 0.00 55.73 55.95 1uw0 s ARG 5 Cb 0.03 -0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.39 1uw0 s ARG 5 CO -0.02 -0.04 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.16 1uw0 s PHE 6 N 0.28 2.50 0.23 5.12 0.08 -1.26 -0.82 117.98 124.11 1uw0 s PHE 6 Ca -0.02 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 56.77 1uw0 s PHE 6 Cb -0.03 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.86 1uw0 s PHE 6 CO -0.01 0.13 -0.02 0.00 -0.10 0.00 0.00 175.22 175.22 1uw0 s VAL 8 N -3.36 0.96 -0.23 0.00 -7.23 -0.22 0.73 120.40 111.05 1uw0 s VAL 8 Ca 0.28 -0.52 -0.03 0.00 -1.81 0.00 0.00 61.98 59.90 1uw0 s VAL 8 Cb 0.05 -0.80 0.11 0.00 0.56 0.00 0.00 36.38 36.30 1uw0 s VAL 8 CO 0.08 0.27 0.27 -1.81 -0.31 0.00 0.00 175.10 173.61 1uw0 s ASP 9 N -0.27 1.19 0.73 4.85 1.11 0.83 -4.32 116.67 120.80 1uw0 s ASP 9 Ca 0.04 -0.25 -0.16 0.00 0.18 0.00 0.00 52.55 52.37 1uw0 s ASP 9 Cb -0.05 0.58 0.03 0.00 1.07 0.00 0.00 42.92 44.55 1uw0 s ASP 9 CO -0.00 -0.34 1.17 -1.22 1.18 0.00 0.00 175.17 175.96 1uw0 n TYR 10 N 5.33 1.33 -4.54 4.23 4.01 -1.26 -2.67 117.16 123.59 1uw0 n TYR 10 Ca -0.04 0.41 -0.34 0.00 -0.16 0.00 0.00 57.90 57.77 1uw0 n TYR 10 Cb 0.49 -2.16 -0.11 0.00 -0.31 0.00 0.00 39.34 37.25 1uw0 n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uw0 s ALA 11 N -1.77 3.01 0.07 -0.72 0.00 -1.06 -4.85 121.76 116.44 1uw0 s ALA 11 Ca 0.77 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1uw0 s ALA 11 Cb -0.34 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.43 1uw0 s ALA 11 CO 0.47 0.45 0.00 1.17 0.00 0.00 0.00 175.76 177.85 1uw0 n LYS 12 N 2.66 0.00 -4.14 0.00 3.00 -1.26 -3.14 118.16 115.28 1uw0 n LYS 12 Ca -0.18 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.86 1uw0 n LYS 12 Cb 0.53 -0.50 -0.17 0.00 0.00 0.00 0.00 35.03 34.90 1uw0 n LYS 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1uw0 s ARG 13 N -2.00 1.74 0.00 1.64 0.52 -1.26 -4.19 118.95 115.40 1uw0 s ARG 13 Ca 0.00 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 1uw0 s ARG 13 Cb 0.00 -1.64 0.00 0.00 0.52 0.00 0.00 34.95 33.83 1uw0 s ARG 13 CO 0.00 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1uw0 n GLY 14 N 4.57 3.00 2.86 -3.53 0.00 -1.26 -4.99 105.19 105.84 1uw0 n GLY 14 Ca -0.16 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 1uw0 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uw0 s THR 15 N -1.91 -0.03 -0.06 2.61 2.01 -1.26 -4.22 115.64 112.78 1uw0 s THR 15 Ca 0.00 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 1uw0 s THR 15 Cb 0.00 -0.09 0.02 0.00 0.01 0.00 0.00 72.50 72.44 1uw0 s THR 15 CO 0.00 0.04 0.16 0.00 -0.69 0.00 0.00 174.62 174.13 1uw0 s ALA 16 N 0.52 -0.38 -0.01 7.40 0.00 -0.86 -4.90 121.76 123.51 1uw0 s ALA 16 Ca -0.04 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1uw0 s ALA 16 Cb -0.06 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 1uw0 s ALA 16 CO -0.02 -0.10 1.52 0.20 0.00 0.00 0.00 175.76 177.36 1uw0 s GLY 17 N 0.40 1.68 0.20 0.00 0.00 -1.26 0.11 107.32 108.45 1uw0 s GLY 17 Ca -0.03 0.94 -0.31 0.00 0.00 0.00 0.00 44.72 45.32 1uw0 s GLY 17 CO -0.02 2.75 1.62 0.00 0.00 0.00 0.00 173.10 177.46 1uw0 s LYS 19 N 0.87 3.12 -1.37 0.00 3.01 -1.18 -2.76 119.74 121.43 1uw0 s LYS 19 Ca 0.70 2.10 -0.03 0.00 -1.01 0.00 0.00 55.97 57.74 1uw0 s LYS 19 Cb -0.46 -2.18 0.02 0.00 -1.01 0.00 0.00 37.83 34.19 1uw0 s LYS 19 CO 0.34 -1.16 0.69 1.63 0.51 0.00 0.00 175.35 177.36 1uw0 n LYS 20 N -1.15 -4.63 -3.53 1.68 4.01 -1.26 -4.90 118.16 108.38 1uw0 n LYS 20 Ca 0.11 0.57 -0.12 0.00 -0.51 0.00 0.00 58.31 58.35 1uw0 n LYS 20 Cb 0.46 -5.09 -0.04 0.00 -0.51 0.00 0.00 35.03 29.85 1uw0 n LYS 20 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uw0 n LYS 22 N 0.45 2.88 -2.94 0.00 4.76 -1.26 -4.67 118.16 117.38 1uw0 n LYS 22 Ca -0.13 -3.63 -0.08 0.00 -2.87 0.00 0.00 58.31 51.60 1uw0 n LYS 22 Cb 0.59 -2.27 -0.03 0.00 -1.84 0.00 0.00 35.03 31.48 1uw0 n LYS 22 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1uw0 n GLU 23 N -0.66 0.25 -4.12 1.97 2.13 -1.26 -5.07 120.64 113.89 1uw0 n GLU 23 Ca 0.54 -1.49 -0.11 0.00 0.66 0.00 0.00 57.16 56.75 1uw0 n GLU 23 Cb 0.47 1.30 -0.11 0.00 0.27 0.00 0.00 31.44 33.37 1uw0 n GLU 23 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1uw0 s LYS 24 N -2.54 0.68 -0.28 5.31 1.02 -1.26 -1.97 119.74 120.69 1uw0 s LYS 24 Ca 0.17 -1.07 -0.09 0.00 0.02 0.00 0.00 55.97 55.00 1uw0 s LYS 24 Cb 0.00 -0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 1uw0 s LYS 24 CO 0.12 0.01 0.13 0.42 -0.92 0.00 0.00 175.35 175.11 1uw0 s ILE 25 N -2.63 4.68 -0.38 2.17 1.01 0.30 -4.81 121.20 121.54 1uw0 s ILE 25 Ca 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1uw0 s ILE 25 Cb -0.01 -3.28 0.14 0.00 0.01 0.00 0.00 42.46 39.32 1uw0 s ILE 25 CO -0.03 0.21 0.23 0.68 0.00 0.00 0.00 174.94 176.03 1uw0 s VAL 26 N 1.65 0.46 0.60 2.92 -7.23 -1.26 -2.03 120.40 115.50 1uw0 s VAL 26 Ca 0.06 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1uw0 s VAL 26 Cb -0.16 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1uw0 s VAL 26 CO 0.06 -0.98 0.00 1.17 -0.31 0.00 0.00 175.10 175.04 1uw0 n LYS 27 N 3.84 -4.23 -0.99 4.82 4.81 -1.26 -4.78 118.16 120.38 1uw0 n LYS 27 Ca 0.12 3.28 0.00 0.00 -0.87 0.00 0.00 58.31 60.84 1uw0 n LYS 27 Cb 0.37 -4.07 0.00 0.00 0.02 0.00 0.00 35.03 31.35 1uw0 n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uw0 n GLY 28 N -2.54 0.38 3.10 3.14 0.00 -1.19 -4.98 105.19 103.11 1uw0 n GLY 28 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1uw0 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uw0 s VAL 29 N -1.82 1.26 -0.23 1.61 1.01 -1.26 -5.04 120.40 115.93 1uw0 s VAL 29 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 1uw0 s VAL 29 Cb 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1uw0 s VAL 29 CO 0.00 0.37 0.72 0.00 0.00 0.00 0.00 175.10 176.19 1uw0 s ARG 31 N 2.48 4.09 -0.17 0.00 0.52 -1.09 -4.45 118.95 120.33 1uw0 s ARG 31 Ca 0.31 -0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 55.17 1uw0 s ARG 31 Cb -0.16 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1uw0 s ARG 31 CO 0.09 0.28 0.06 0.42 0.02 0.00 0.00 175.30 176.17 1uw0 s ILE 32 N 0.39 4.78 -0.23 1.52 1.01 -1.26 -0.12 121.20 127.29 1uw0 s ILE 32 Ca 0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 1uw0 s ILE 32 Cb -0.12 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1uw0 s ILE 32 CO -0.01 0.48 0.13 -0.83 0.00 0.00 0.00 174.94 174.71 1uw0 s GLY 33 N 0.22 1.96 -0.28 6.18 0.00 0.22 -3.51 107.32 112.12 1uw0 s GLY 33 Ca 0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 44.72 43.83 1uw0 s GLY 33 CO 0.00 0.32 0.07 1.25 0.00 0.00 0.00 173.10 174.75 1uw0 s LYS 34 N 0.91 3.32 -0.34 2.90 2.20 -1.20 0.54 119.74 128.08 1uw0 s LYS 34 Ca 0.07 -0.70 -0.08 0.00 -0.36 0.00 0.00 55.97 54.89 1uw0 s LYS 34 Cb -0.13 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 1uw0 s LYS 34 CO 0.03 -0.34 0.14 0.08 -0.36 0.00 0.00 175.35 174.90 1uw0 s VAL 35 N 1.55 4.20 -0.23 4.02 1.01 0.00 -3.83 120.40 127.12 1uw0 s VAL 35 Ca 0.04 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1uw0 s VAL 35 Cb -0.16 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 32.98 1uw0 s VAL 35 CO 0.03 -0.10 -0.14 -0.69 0.00 0.00 0.00 175.10 174.20 1uw0 s VAL 36 N 1.50 2.09 0.45 2.92 1.01 -1.18 -2.48 120.40 124.72 1uw0 s VAL 36 Ca 0.01 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.41 1uw0 s VAL 36 Cb -0.18 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.02 1uw0 s VAL 36 CO 0.04 0.17 1.10 -2.16 0.00 0.00 0.00 175.10 174.26 1uw0 s PRO 37 N 1.19 3.85 0.31 2.72 0.04 -1.26 -3.59 135.00 138.26 1uw0 s PRO 37 Ca -0.04 1.61 0.07 0.00 0.04 0.00 0.00 61.00 62.67 1uw0 s PRO 37 Cb -0.17 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1uw0 s PRO 37 CO -0.08 -0.43 0.36 -0.80 0.04 0.00 0.00 177.00 176.08 1uw0 s ASN 38 N -1.57 5.73 -0.93 6.66 -0.87 -0.96 -4.94 114.94 118.07 1uw0 s ASN 38 Ca 0.63 -0.26 -0.21 0.00 -1.57 0.00 0.00 52.86 51.45 1uw0 s ASN 38 Cb -0.24 -1.26 -0.12 0.00 -0.02 0.00 0.00 41.25 39.62 1uw0 s ASN 38 CO 0.29 -0.30 1.97 -0.81 -2.57 0.00 0.00 177.10 175.69 1uw0 n PRO 39 N -1.45 1.77 0.18 -0.60 -0.04 -1.26 -3.93 135.00 129.67 1uw0 n PRO 39 Ca -0.03 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1uw0 n PRO 39 Cb 0.58 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1uw0 n PRO 39 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1uw0 n PHE 40 N 7.74 -3.63 -4.18 0.54 -0.00 -1.26 -5.14 117.46 111.54 1uw0 n PHE 40 Ca 0.50 1.04 -0.24 0.00 -0.00 0.00 0.00 57.45 58.75 1uw0 n PHE 40 Cb 0.41 2.49 -0.06 0.00 -0.00 0.00 0.00 39.48 42.31 1uw0 n PHE 40 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1uw0 s SER 41 N -3.11 5.07 -0.26 -2.13 0.15 -1.25 -5.06 113.70 107.11 1uw0 s SER 41 Ca 0.00 -0.37 -0.06 0.00 0.70 0.00 0.00 55.95 56.22 1uw0 s SER 41 Cb 0.00 -1.16 -0.15 0.00 -1.71 0.00 0.00 66.02 63.00 1uw0 s SER 41 CO 0.00 0.03 -0.26 -0.62 1.20 0.00 0.00 173.24 173.58 1uw0 n GLU 42 N -0.65 0.62 0.03 5.44 1.02 -1.26 -4.66 120.64 121.18 1uw0 n GLU 42 Ca -0.08 0.22 -0.22 0.00 -0.02 0.00 0.00 57.16 57.05 1uw0 n GLU 42 Cb 0.57 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.33 1uw0 n GLU 42 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1uw0 h SER 43 N -0.50 0.49 -3.03 1.62 0.87 -2.01 -3.48 113.55 107.51 1uw0 h SER 43 Ca -0.63 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 58.99 1uw0 h SER 43 Cb 1.75 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 1uw0 h SER 43 CO -0.25 1.82 0.00 0.61 -0.53 0.00 0.00 176.83 178.48 1uw0 n GLY 44 N 1.92 3.56 0.67 5.77 0.00 -1.26 -4.90 105.19 110.95 1uw0 n GLY 44 Ca -0.29 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.59 1uw0 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uw0 n GLY 45 N 5.00 0.89 3.29 -0.02 0.00 -1.26 -4.37 105.19 108.73 1uw0 n GLY 45 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1uw0 n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uw0 s ASP 46 N -2.39 2.83 -0.12 1.61 1.11 -1.26 -2.26 116.67 116.20 1uw0 s ASP 46 Ca 0.00 -0.52 0.02 0.00 0.18 0.00 0.00 52.55 52.23 1uw0 s ASP 46 Cb 0.00 -0.27 -0.01 0.00 1.07 0.00 0.00 42.92 43.72 1uw0 s ASP 46 CO 0.00 0.24 -0.19 -0.04 1.18 0.00 0.00 175.17 176.36 1uw0 s MET 47 N -1.03 3.21 -0.05 8.23 -1.94 -1.24 -4.93 119.30 121.56 1uw0 s MET 47 Ca 0.10 -0.79 0.05 0.00 -1.71 0.00 0.00 55.69 53.35 1uw0 s MET 47 Cb -0.09 -2.47 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 1uw0 s MET 47 CO 0.01 0.18 -0.21 0.21 -0.01 0.00 0.00 175.02 175.20 1uw0 s LYS 48 N 0.38 2.11 0.04 2.03 2.20 -1.25 -3.13 119.74 122.11 1uw0 s LYS 48 Ca -0.14 -0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1uw0 s LYS 48 Cb -0.17 -1.84 -0.03 0.00 -1.51 0.00 0.00 37.83 34.28 1uw0 s LYS 48 CO 0.07 0.34 -0.03 -1.21 -0.36 0.00 0.00 175.35 174.15 1uw0 s GLU 49 N -0.13 0.50 0.33 4.03 8.01 -1.25 -4.91 118.70 125.28 1uw0 s GLU 49 Ca -0.02 -0.97 0.04 0.00 0.01 0.00 0.00 54.97 54.03 1uw0 s GLU 49 Cb -0.12 0.14 -0.02 0.00 -4.31 0.00 0.00 34.13 29.83 1uw0 s GLU 49 CO 0.02 -0.08 0.48 -1.58 0.01 0.00 0.00 175.26 174.12 1uw0 s TRP 50 N -2.87 3.27 0.25 1.61 0.23 -1.26 -3.23 118.94 116.94 1uw0 s TRP 50 Ca -0.02 -0.02 -0.02 0.00 -2.03 0.00 0.00 56.10 54.01 1uw0 s TRP 50 Cb 0.00 -1.92 -0.02 0.00 0.03 0.00 0.00 33.47 31.56 1uw0 s TRP 50 CO -0.06 0.07 0.28 0.71 0.96 0.00 0.00 176.95 178.90 1uw0 s TYR 51 N -2.21 1.07 0.16 -1.98 2.02 -1.23 -3.09 117.35 112.10 1uw0 s TYR 51 Ca 0.42 -1.27 -0.00 0.00 -0.37 0.00 0.00 57.07 55.84 1uw0 s TYR 51 Cb -0.09 -0.36 0.03 0.00 -0.40 0.00 0.00 41.96 41.14 1uw0 s TYR 51 CO 0.32 -0.82 0.22 0.72 -1.57 0.00 0.00 175.55 174.42 1uw0 n HIS 52 N -0.39 -3.33 -0.03 2.71 8.25 -1.26 -4.09 115.22 117.08 1uw0 n HIS 52 Ca 0.02 -0.37 -0.19 0.00 -0.26 0.00 0.00 57.72 56.92 1uw0 n HIS 52 Cb 0.64 -0.16 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 1uw0 n HIS 52 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1uw0 h ILE 53 N -0.47 1.37 0.07 1.59 1.08 -1.99 -3.20 117.51 115.97 1uw0 h ILE 53 Ca -0.07 -2.38 -0.25 0.00 -0.39 0.00 0.00 64.86 61.77 1uw0 h ILE 53 Cb 0.26 2.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.96 1uw0 h ILE 53 CO 0.07 0.60 -1.16 0.11 -0.69 0.00 0.00 178.15 177.09 1uw0 h LYS 54 N -0.67 0.16 0.08 2.37 1.57 -1.97 -2.80 116.57 115.30 1uw0 h LYS 54 Ca -0.18 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1uw0 h LYS 54 Cb 1.40 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1uw0 h LYS 54 CO 0.01 1.12 -0.04 0.00 -0.57 0.00 0.00 179.45 179.97 1uw0 h MET 56 N -0.24 0.79 -0.03 0.00 1.85 -1.68 -2.83 114.93 112.79 1uw0 h MET 56 Ca -0.01 -0.33 -0.10 0.00 -0.61 0.00 0.00 59.70 58.65 1uw0 h MET 56 Cb 0.20 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 1uw0 h MET 56 CO 0.02 0.95 -0.45 0.74 -0.40 0.00 0.00 176.91 177.76 1uw0 h PHE 57 N 0.60 0.08 -0.71 1.39 0.04 -1.42 -2.81 116.94 114.10 1uw0 h PHE 57 Ca 0.09 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1uw0 h PHE 57 Cb 0.69 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.79 1uw0 h PHE 57 CO 0.05 0.51 0.37 1.49 -0.60 0.00 0.00 178.31 180.14 1uw0 h GLU 58 N 0.06 0.99 -0.94 1.51 4.81 0.89 -2.17 114.58 119.74 1uw0 h GLU 58 Ca 0.00 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1uw0 h GLU 58 Cb 0.83 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 1uw0 h GLU 58 CO 0.06 0.74 0.62 -0.22 -0.73 0.00 0.00 179.01 179.48 1uw0 h LYS 59 N 0.99 1.11 -0.85 1.92 1.63 -1.28 -1.60 116.57 118.50 1uw0 h LYS 59 Ca 0.25 -0.07 0.04 0.00 -0.85 0.00 0.00 60.65 60.03 1uw0 h LYS 59 Cb 0.05 -0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 31.38 1uw0 h LYS 59 CO -0.04 0.74 0.54 -0.07 -3.45 0.00 0.00 179.45 177.16 1uw0 h LEU 60 N 1.14 0.87 -1.59 5.20 4.07 -1.44 -0.09 115.31 123.48 1uw0 h LEU 60 Ca 0.39 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.41 1uw0 h LEU 60 Cb 0.08 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1uw0 h LEU 60 CO -0.13 0.58 0.36 -0.08 -1.08 0.00 0.00 178.44 178.09 1uw0 h GLU 61 N 1.02 0.49 -0.79 1.13 4.81 -1.24 -1.20 114.58 118.81 1uw0 h GLU 61 Ca 0.35 -0.03 -0.42 0.00 -0.13 0.00 0.00 59.36 59.13 1uw0 h GLU 61 Cb 0.07 -0.11 -0.25 0.00 0.63 0.00 0.00 28.75 29.09 1uw0 h GLU 61 CO -0.14 0.33 0.41 0.54 -0.73 0.00 0.00 179.01 179.42 1uw0 n ARG 62 N -4.47 2.14 -3.72 1.92 5.12 -0.17 -4.99 116.66 112.50 1uw0 n ARG 62 Ca 0.07 -3.09 -0.21 0.00 -1.93 0.00 0.00 57.85 52.68 1uw0 n ARG 62 Cb 0.23 -2.07 -0.04 0.00 -1.16 0.00 0.00 32.46 29.42 1uw0 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1uw0 s ALA 63 N -3.31 3.92 0.58 7.54 0.00 -0.45 -5.02 121.76 125.02 1uw0 s ALA 63 Ca 0.53 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.51 1uw0 s ALA 63 Cb 0.46 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1uw0 s ALA 63 CO 0.07 -0.14 1.02 1.03 0.00 0.00 0.00 175.76 177.74 1uw0 s ARG 64 N -4.05 3.64 0.03 0.00 3.00 -1.26 -4.99 118.95 115.31 1uw0 s ARG 64 Ca 0.45 0.89 0.02 0.00 0.00 0.00 0.00 55.73 57.09 1uw0 s ARG 64 Cb -0.03 -2.09 -0.25 0.00 0.00 0.00 0.00 34.95 32.58 1uw0 s ARG 64 CO 0.27 -0.53 0.96 0.00 0.00 0.00 0.00 175.30 175.99 1uw0 h ALA 65 N 0.19 0.35 -0.99 2.13 0.00 -1.99 -3.33 119.26 115.61 1uw0 h ALA 65 Ca -0.45 -1.09 0.23 0.00 0.00 0.00 0.00 54.91 53.60 1uw0 h ALA 65 Cb 1.19 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1uw0 h ALA 65 CO 0.61 1.22 0.64 1.15 0.00 0.00 0.00 179.25 182.86 1uw0 h THR 66 N 0.04 0.61 -3.43 0.00 2.02 -2.06 -3.40 112.91 106.69 1uw0 h THR 66 Ca -0.18 -0.15 -0.66 0.00 0.77 0.00 0.00 66.41 66.19 1uw0 h THR 66 Cb 1.95 0.12 -0.14 0.00 -1.74 0.00 0.00 68.15 68.35 1uw0 h THR 66 CO 0.15 0.08 -0.68 -0.89 0.37 0.00 0.00 175.52 174.55 1uw0 s THR 67 N -5.50 3.85 -0.04 3.16 2.01 -1.25 -5.12 115.64 112.74 1uw0 s THR 67 Ca -0.09 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.01 1uw0 s THR 67 Cb 0.24 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1uw0 s THR 67 CO 0.79 0.20 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.98 1uw0 s LYS 68 N -2.04 2.39 -0.11 4.92 2.47 -1.26 -4.74 119.74 121.37 1uw0 s LYS 68 Ca 0.23 -0.78 0.03 0.00 -1.56 0.00 0.00 55.97 53.88 1uw0 s LYS 68 Cb -0.11 -2.26 -0.01 0.00 -1.46 0.00 0.00 37.83 33.99 1uw0 s LYS 68 CO 0.15 0.58 -0.20 0.21 0.16 0.00 0.00 175.35 176.25 1uw0 s LYS 69 N -0.64 3.14 -0.15 4.03 2.20 -1.26 -4.91 119.74 122.15 1uw0 s LYS 69 Ca 0.10 -0.81 -0.09 0.00 -0.36 0.00 0.00 55.97 54.81 1uw0 s LYS 69 Cb -0.11 -2.42 0.03 0.00 -1.51 0.00 0.00 37.83 33.83 1uw0 s LYS 69 CO 0.00 0.21 0.18 -0.89 -0.36 0.00 0.00 175.35 174.49 1uw0 n ILE 70 N 3.47-10.02 -4.56 5.43 5.41 -1.26 -4.99 119.36 112.84 1uw0 n ILE 70 Ca -0.19 2.08 -0.34 0.00 1.00 0.00 0.00 62.75 65.31 1uw0 n ILE 70 Cb 0.53 -5.61 -0.11 0.00 -0.71 0.00 0.00 39.64 33.74 1uw0 n ILE 70 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1uw0 s GLU 71 N -0.58 2.82 0.58 0.38 2.02 -1.26 -5.03 118.70 117.63 1uw0 s GLU 71 Ca -0.21 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.27 1uw0 s GLU 71 Cb 0.01 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1uw0 s GLU 71 CO 0.60 0.67 0.00 -0.25 0.02 0.00 0.00 175.26 176.31 1uw0 n ASP 72 N 2.21 -5.16 -0.09 -0.19 9.92 -1.26 -4.02 116.55 117.97 1uw0 n ASP 72 Ca -0.18 0.70 -0.09 0.00 -0.53 0.00 0.00 54.79 54.69 1uw0 n ASP 72 Cb 0.53 -2.08 -0.16 0.00 -0.64 0.00 0.00 41.12 38.77 1uw0 n ASP 72 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1uw0 n LEU 73 N 0.00 0.11 -2.50 0.64 7.94 -1.26 -4.43 117.00 117.50 1uw0 n LEU 73 Ca 0.00 0.05 -0.36 0.00 -1.11 0.00 0.00 56.01 54.59 1uw0 n LEU 73 Cb 0.30 0.44 0.07 0.00 0.53 0.00 0.00 43.42 44.76 1uw0 n LEU 73 CO 0.00 0.47 1.47 0.35 -1.11 0.00 0.00 177.39 178.57 1uw0 n THR 74 N -2.77 3.61 -1.89 1.96 -2.24 -1.26 -4.50 114.28 107.20 1uw0 n THR 74 Ca -0.30 -3.34 -0.07 0.00 -2.27 0.00 0.00 64.05 58.07 1uw0 n THR 74 Cb 1.13 -1.18 0.11 0.00 -2.10 0.00 0.00 70.33 68.28 1uw0 n THR 74 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1uw0 n GLU 75 N -0.81 2.37 -3.86 -0.78 0.00 -1.26 -5.04 120.64 111.26 1uw0 n GLU 75 Ca 0.60 -3.61 -0.10 0.00 0.00 0.00 0.00 57.16 54.05 1uw0 n GLU 75 Cb 0.54 -1.81 -0.09 0.00 0.00 0.00 0.00 31.44 30.08 1uw0 n GLU 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1uw0 s LEU 76 N -3.24 1.48 -0.32 4.31 1.43 -1.26 -4.75 118.68 116.32 1uw0 s LEU 76 Ca 0.43 -0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 52.92 1uw0 s LEU 76 Cb 0.39 0.84 0.01 0.00 0.03 0.00 0.00 46.19 47.45 1uw0 s LEU 76 CO -0.03 -0.51 0.86 -0.70 0.23 0.00 0.00 176.35 176.20 1uw0 s GLU 77 N -2.30 3.94 0.00 1.70 2.12 -1.13 -4.19 118.70 118.84 1uw0 s GLU 77 Ca -0.07 0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.91 1uw0 s GLU 77 Cb -0.02 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.62 1uw0 s GLU 77 CO -0.03 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.33 1uw0 n GLY 78 N 4.19 3.57 0.27 -1.50 0.00 -1.26 -1.05 105.19 109.41 1uw0 n GLY 78 Ca 0.06 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.69 1uw0 n GLY 78 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1uw0 h TRP 79 N 0.00 0.00 -0.56 1.61 5.08 -1.76 -2.69 115.95 117.63 1uw0 h TRP 79 Ca 0.00 0.00 0.16 0.00 1.08 0.00 0.00 58.89 60.13 1uw0 h TRP 79 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 1uw0 h TRP 79 CO 0.00 0.06 0.47 1.49 -1.28 0.00 0.00 178.44 179.18 1uw0 h GLU 80 N 0.00 0.00 -0.34 0.12 4.81 -1.94 -1.59 114.58 115.64 1uw0 h GLU 80 Ca -0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1uw0 h GLU 80 Cb 0.14 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.43 1uw0 h GLU 80 CO 0.01 0.00 -0.07 -1.91 -0.73 0.00 0.00 179.01 176.31 1uw0 n GLU 81 N -4.04 1.95 -0.91 1.92 2.13 -1.01 -5.02 120.64 115.65 1uw0 n GLU 81 Ca 0.11 -3.14 0.00 0.00 0.66 0.00 0.00 57.16 54.79 1uw0 n GLU 81 Cb 0.69 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.59 1uw0 n GLU 81 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1uw0 n LEU 82 N -1.06 0.00 -4.97 4.31 4.77 -0.60 -5.04 117.00 114.40 1uw0 n LEU 82 Ca 0.32 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.09 1uw0 n LEU 82 Cb 1.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.10 1uw0 n LEU 82 CO 0.18 -0.16 0.10 -1.61 -1.33 0.00 0.00 177.39 174.57 1uw0 s GLU 83 N -0.43 3.25 0.00 3.23 2.02 -1.26 -5.04 118.70 120.48 1uw0 s GLU 83 Ca 0.00 -0.73 -0.14 0.00 0.02 0.00 0.00 54.97 54.12 1uw0 s GLU 83 Cb 0.00 -2.76 -0.34 0.00 0.10 0.00 0.00 34.13 31.13 1uw0 s GLU 83 CO 0.00 0.11 0.88 -0.44 0.02 0.00 0.00 175.26 175.83 1uw0 h ASP 84 N 0.84 0.77 0.05 -0.19 3.32 -1.98 -2.72 116.42 116.51 1uw0 h ASP 84 Ca -0.48 -0.92 -0.00 0.00 0.02 0.00 0.00 57.03 55.65 1uw0 h ASP 84 Cb 1.24 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1uw0 h ASP 84 CO 0.57 1.74 -0.02 -1.13 -1.72 0.00 0.00 179.24 178.68 1uw0 h ASN 85 N 0.13 -0.06 -0.77 6.45 -0.73 -2.00 -0.99 115.58 117.62 1uw0 h ASN 85 Ca -0.29 -0.09 -0.02 0.00 1.87 0.00 0.00 56.30 57.78 1uw0 h ASN 85 Cb 2.15 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 40.72 1uw0 h ASN 85 CO 0.24 0.05 0.41 -0.33 -0.37 0.00 0.00 177.43 177.43 1uw0 h GLU 86 N -0.16 1.07 -0.49 6.67 5.08 -1.99 -1.98 114.58 122.78 1uw0 h GLU 86 Ca -0.01 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1uw0 h GLU 86 Cb 0.14 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1uw0 h GLU 86 CO 0.01 0.80 0.32 -0.22 -1.00 0.00 0.00 179.01 178.93 1uw0 h LYS 87 N 1.06 0.56 -0.24 2.33 3.64 -1.17 -1.72 116.57 121.02 1uw0 h LYS 87 Ca 0.27 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1uw0 h LYS 87 Cb 0.05 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1uw0 h LYS 87 CO -0.04 0.37 -0.35 1.49 -2.27 0.00 0.00 179.45 178.65 1uw0 h GLU 88 N 0.57 0.53 -0.38 1.90 4.22 -0.42 -2.75 114.58 118.25 1uw0 h GLU 88 Ca 0.19 -0.24 -0.13 0.00 0.08 0.00 0.00 59.36 59.26 1uw0 h GLU 88 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1uw0 h GLU 88 CO -0.05 0.80 -0.27 1.96 -2.18 0.00 0.00 179.01 179.28 1uw0 h GLN 89 N 0.44 0.85 -0.00 1.92 1.08 -1.06 -2.92 115.11 115.42 1uw0 h GLN 89 Ca 0.05 -0.41 -0.05 0.00 -1.45 0.00 0.00 58.65 56.79 1uw0 h GLN 89 Cb 0.82 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1uw0 h GLN 89 CO 0.07 1.05 -0.25 0.97 -0.95 0.00 0.00 178.83 179.71 1uw0 h ILE 90 N 0.65 1.18 -0.67 2.54 2.10 -1.39 -2.58 117.51 119.35 1uw0 h ILE 90 Ca 0.07 -0.87 -0.08 0.00 1.08 0.00 0.00 64.86 65.06 1uw0 h ILE 90 Cb 0.84 1.46 -0.03 0.00 -1.09 0.00 0.00 36.82 38.00 1uw0 h ILE 90 CO 0.07 0.25 0.09 0.74 -1.08 0.00 0.00 178.15 178.22 1uw0 h THR 91 N 0.01 1.27 -0.78 2.19 2.02 -1.30 -2.60 112.91 113.71 1uw0 h THR 91 Ca -0.00 -1.07 0.13 0.00 0.77 0.00 0.00 66.41 66.24 1uw0 h THR 91 Cb 0.45 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1uw0 h THR 91 CO 0.03 0.40 0.52 1.56 0.37 0.00 0.00 175.52 178.40 1uw0 h GLN 92 N 1.04 0.52 -0.39 6.66 7.50 -1.35 -1.71 115.11 127.38 1uw0 h GLN 92 Ca 0.20 -0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.36 1uw0 h GLN 92 Cb 0.47 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.84 1uw0 h GLN 92 CO 0.02 0.34 0.15 1.25 -1.50 0.00 0.00 178.83 179.09 1uw0 h HIS 93 N 0.54 0.26 -0.58 2.96 2.76 -1.49 -1.02 115.15 118.58 1uw0 h HIS 93 Ca 0.38 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.52 1uw0 h HIS 93 Cb 0.72 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.60 1uw0 h HIS 93 CO -0.00 0.11 0.16 0.82 -1.30 0.00 0.00 177.93 177.72 1uw0 h ILE 94 N 0.31 1.23 -0.78 6.26 2.04 -1.40 -0.88 117.51 124.29 1uw0 h ILE 94 Ca 0.18 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1uw0 h ILE 94 Cb 0.15 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1uw0 h ILE 94 CO -0.17 0.31 0.32 0.00 0.00 0.00 0.00 178.15 178.60 1uw0 h ALA 95 N 1.32 1.09 -0.16 1.87 0.00 -1.03 0.85 119.26 123.18 1uw0 h ALA 95 Ca 0.19 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1uw0 h ALA 95 Cb 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1uw0 h ALA 95 CO -0.01 0.65 -0.63 -0.44 0.00 0.00 0.00 179.25 178.83 1uw0 h ASP 96 N 1.13 0.67 0.92 0.00 5.19 -0.78 0.72 116.42 124.25 1uw0 h ASP 96 Ca 0.26 -0.39 -0.22 0.00 -0.62 0.00 0.00 57.03 56.06 1uw0 h ASP 96 Cb 0.20 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1uw0 h ASP 96 CO -0.02 1.13 -1.03 0.25 -3.12 0.00 0.00 179.24 176.44 1uw0 h LEU 97 N 0.43 0.08 0.07 1.55 5.85 -0.82 -3.36 115.31 119.11 1uw0 h LEU 97 Ca -0.01 -0.09 -0.36 0.00 0.84 0.00 0.00 57.88 58.26 1uw0 h LEU 97 Cb 1.20 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1uw0 h LEU 97 CO 0.12 1.06 -2.09 -1.20 -0.34 0.00 0.00 178.44 175.98 1uw0 n SER 98 N -3.40 1.81 -4.13 1.25 7.64 0.29 -4.71 113.62 112.38 1uw0 n SER 98 Ca -0.02 0.14 -0.38 0.00 1.01 0.00 0.00 58.87 59.63 1uw0 n SER 98 Cb 0.95 -0.55 -0.09 0.00 -1.01 0.00 0.00 64.21 63.51 1uw0 n SER 98 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uw0 s SER 99 N -6.71 5.45 0.26 6.43 0.01 0.25 -5.05 113.70 114.35 1uw0 s SER 99 Ca -0.22 -2.72 0.09 0.00 1.31 0.00 0.00 55.95 54.41 1uw0 s SER 99 Cb 0.07 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.34 1uw0 s SER 99 CO 0.74 -0.43 -0.13 -0.75 0.41 0.00 0.00 173.24 173.09 1uw0 s LYS 100 N 0.14 1.55 0.21 12.44 2.20 -1.26 -4.40 119.74 130.62 1uw0 s LYS 100 Ca 0.16 -1.74 0.08 0.00 -0.36 0.00 0.00 55.97 54.11 1uw0 s LYS 100 Cb -0.19 -1.38 -0.05 0.00 -1.51 0.00 0.00 37.83 34.70 1uw0 s LYS 100 CO -0.04 0.18 -0.15 0.00 -0.36 0.00 0.00 175.35 174.97 1uw0 s ALA 101 N -2.81 2.12 -0.13 3.13 0.00 -1.26 -5.06 121.76 117.74 1uw0 s ALA 101 Ca 0.28 -1.69 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 1uw0 s ALA 101 Cb -0.00 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1uw0 s ALA 101 CO 0.12 0.10 0.11 0.00 0.00 0.00 0.00 175.76 176.09 1uw0 s ALA 102 N -2.88 0.20 0.00 0.00 0.00 -1.26 -4.95 121.76 112.86 1uw0 s ALA 102 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1uw0 s ALA 102 Cb -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1uw0 s ALA 102 CO 0.08 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1uw0 n GLY 103 N 5.30 2.09 3.42 0.00 0.00 -1.26 -5.00 105.19 109.74 1uw0 n GLY 103 Ca -0.06 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 1uw0 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uw0 s THR 104 N 0.00 2.35 -0.74 2.61 -4.23 -1.26 -5.06 115.64 109.31 1uw0 s THR 104 Ca 0.00 -1.97 -0.26 0.00 -1.18 0.00 0.00 61.69 58.28 1uw0 s THR 104 Cb 0.00 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 1uw0 s THR 104 CO 0.00 -0.07 1.72 -2.16 -0.54 0.00 0.00 174.62 173.56 1uw0 s PRO 105 N -2.55 2.82 0.05 3.99 0.04 -1.26 -4.92 135.00 133.16 1uw0 s PRO 105 Ca 0.19 0.09 0.07 0.00 0.04 0.00 0.00 61.00 61.39 1uw0 s PRO 105 Cb -0.08 -4.57 -0.02 0.00 0.04 0.00 0.00 34.50 29.86 1uw0 s PRO 105 CO 0.09 -2.69 -0.19 0.21 0.04 0.00 0.00 177.00 174.46 1uw0 s LYS 106 N 6.57 1.27 -0.06 4.56 2.20 -1.26 -5.14 119.74 127.88 1uw0 s LYS 106 Ca 0.59 -0.91 0.05 0.00 -0.36 0.00 0.00 55.97 55.34 1uw0 s LYS 106 Cb -0.09 -1.36 -0.01 0.00 -1.51 0.00 0.00 37.83 34.86 1uw0 s LYS 106 CO 0.12 0.34 -0.22 0.15 -0.36 0.00 0.00 175.35 175.39 1uw0 s LYS 107 N -1.20 2.31 -0.07 4.03 1.02 -1.26 -4.82 119.74 119.74 1uw0 s LYS 107 Ca 0.06 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.32 1uw0 s LYS 107 Cb -0.09 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1uw0 s LYS 107 CO 0.02 0.30 -0.23 0.21 -0.92 0.00 0.00 175.35 174.73 1uw0 s LYS 108 N -0.01 2.69 0.34 1.68 2.47 -1.26 -5.14 119.74 120.52 1uw0 s LYS 108 Ca -0.06 -0.87 0.09 0.00 -1.56 0.00 0.00 55.97 53.58 1uw0 s LYS 108 Cb -0.13 -2.24 -0.06 0.00 -1.46 0.00 0.00 37.83 33.94 1uw0 s LYS 108 CO 0.04 0.36 -0.03 0.00 0.16 0.00 0.00 175.35 175.87 1uw0 s ALA 109 N -0.09 3.10 -0.19 3.13 0.00 -1.26 -5.13 121.76 121.31 1uw0 s ALA 109 Ca -0.05 -2.02 0.01 0.00 0.00 0.00 0.00 51.96 49.90 1uw0 s ALA 109 Cb -0.14 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.77 1uw0 s ALA 109 CO 0.04 0.07 -0.15 0.08 0.00 0.00 0.00 175.76 175.81 1uw0 s VAL 110 N -2.56 1.90 0.01 0.00 1.01 -1.26 -5.11 120.40 114.38 1uw0 s VAL 110 Ca 0.34 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1uw0 s VAL 110 Cb 0.01 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1uw0 s VAL 110 CO 0.18 0.34 -0.03 0.54 0.00 0.00 0.00 175.10 176.13 1uw0 s VAL 111 N 1.32 0.24 -0.24 2.92 0.11 -1.26 -5.13 120.40 118.35 1uw0 s VAL 111 Ca 0.01 -0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 58.69 1uw0 s VAL 111 Cb -0.15 -0.25 0.07 0.00 -1.53 0.00 0.00 36.38 34.52 1uw0 s VAL 111 CO -0.10 -0.09 0.02 -1.58 -3.33 0.00 0.00 175.10 170.02 1uw0 s GLN 112 N -0.48 1.02 -0.01 1.54 0.74 -1.26 -5.12 119.66 116.09 1uw0 s GLN 112 Ca -0.03 -0.79 0.07 0.00 0.05 0.00 0.00 55.36 54.66 1uw0 s GLN 112 Cb -0.04 -2.28 -0.02 0.00 1.10 0.00 0.00 33.01 31.77 1uw0 s GLN 112 CO -0.00 -0.70 -0.22 0.00 -0.55 0.00 0.00 175.29 173.81 1uw0 s ALA 113 N 1.62 1.84 -0.30 1.58 0.00 -1.26 -5.11 121.76 120.14 1uw0 s ALA 113 Ca -0.00 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1uw0 s ALA 113 Cb -0.18 -0.45 0.08 0.00 0.00 0.00 0.00 23.12 22.57 1uw0 s ALA 113 CO -0.11 0.45 -0.02 0.21 0.00 0.00 0.00 175.76 176.29 1uw0 s LYS 114 N -0.62 1.75 -0.02 0.00 2.36 -1.26 -5.10 119.74 116.85 1uw0 s LYS 114 Ca 0.09 -1.57 0.05 0.00 -2.55 0.00 0.00 55.97 51.99 1uw0 s LYS 114 Cb -0.09 -2.98 -0.01 0.00 -1.05 0.00 0.00 37.83 33.70 1uw0 s LYS 114 CO -0.00 -0.77 -0.17 -0.51 1.55 0.00 0.00 175.35 175.44 1uw0 s LEU 115 N 1.05 2.01 -0.23 5.43 1.43 -1.26 -5.12 118.68 121.98 1uw0 s LEU 115 Ca 0.02 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1uw0 s LEU 115 Cb -0.19 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.17 1uw0 s LEU 115 CO -0.07 0.20 -0.09 0.42 0.23 0.00 0.00 176.35 177.04 1uw0 s THR 116 N -0.31 1.77 0.00 5.49 -4.23 -1.26 -5.36 115.64 111.73 1uw0 s THR 116 Ca 0.05 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1uw0 s THR 116 Cb -0.08 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1uw0 s THR 116 CO -0.00 0.03 0.24 0.41 -0.54 0.00 0.00 174.62 174.76