#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 0.95 0.14 3.04 0.00 -1.26 -5.09 121.76 119.54 1uw0 s ALA 2 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1uw0 s ALA 2 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1uw0 s ALA 2 CO 0.00 -0.32 0.00 0.39 0.00 0.00 0.00 175.76 175.83 1uw0 n GLU 3 N -0.06 0.00 -4.43 0.00 4.71 -1.26 -5.14 120.64 114.46 1uw0 n GLU 3 Ca -0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.80 1uw0 n GLU 3 Cb 0.62 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.95 1uw0 n GLU 3 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1uw0 s GLN 4 N -1.47 1.90 0.06 3.49 -0.21 -1.26 -4.90 119.66 117.27 1uw0 s GLN 4 Ca 0.00 -1.75 0.05 0.00 0.02 0.00 0.00 55.36 53.69 1uw0 s GLN 4 Cb 0.00 -1.85 -0.03 0.00 1.00 0.00 0.00 33.01 32.13 1uw0 s GLN 4 CO 0.00 0.25 -0.14 1.03 -2.12 0.00 0.00 175.29 174.31 1uw0 s ARG 5 N -3.60 0.86 0.16 2.91 0.52 -1.23 -5.04 118.95 113.52 1uw0 s ARG 5 Ca 0.32 -0.88 0.09 0.00 -0.52 0.00 0.00 55.73 54.73 1uw0 s ARG 5 Cb -0.03 -0.87 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 1uw0 s ARG 5 CO 0.17 0.20 -0.10 -0.06 0.02 0.00 0.00 175.30 175.54 1uw0 s PHE 6 N -1.11 2.66 -0.05 -0.53 0.40 -1.26 -1.37 117.98 116.70 1uw0 s PHE 6 Ca -0.01 -0.21 -0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1uw0 s PHE 6 Cb -0.09 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.15 1uw0 s PHE 6 CO 0.02 0.49 -0.01 0.00 0.70 0.00 0.00 175.22 176.42 1uw0 s VAL 8 N 1.48 5.26 -0.21 0.00 -7.23 -1.16 0.74 120.40 119.29 1uw0 s VAL 8 Ca -0.03 0.13 -0.04 0.00 -1.81 0.00 0.00 61.98 60.23 1uw0 s VAL 8 Cb -0.13 -3.34 0.09 0.00 0.56 0.00 0.00 36.38 33.56 1uw0 s VAL 8 CO -0.03 0.53 0.19 -0.62 -0.31 0.00 0.00 175.10 174.86 1uw0 s ASP 9 N -0.27 1.76 0.90 4.85 2.15 -0.93 -4.47 116.67 120.67 1uw0 s ASP 9 Ca 0.10 -0.43 -0.12 0.00 0.43 0.00 0.00 52.55 52.53 1uw0 s ASP 9 Cb -0.12 0.21 0.08 0.00 -0.30 0.00 0.00 42.92 42.79 1uw0 s ASP 9 CO 0.01 -0.35 0.80 -1.22 -0.17 0.00 0.00 175.17 174.24 1uw0 n TYR 10 N 5.31 -0.18 -3.32 -5.34 4.01 -1.26 -3.91 117.16 112.47 1uw0 n TYR 10 Ca -0.06 0.33 -0.40 0.00 -0.16 0.00 0.00 57.90 57.61 1uw0 n TYR 10 Cb 0.49 -1.92 -0.08 0.00 -0.31 0.00 0.00 39.34 37.51 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 -2.40 3.56 -0.09 -0.72 0.00 -0.93 -4.91 121.76 116.26 1uw0 s ALA 11 Ca 0.64 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 1uw0 s ALA 11 Cb -0.24 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1uw0 s ALA 11 CO 0.61 -0.79 -0.16 1.63 0.00 0.00 0.00 175.76 177.05 1uw0 n LYS 12 N 5.47 0.25 -3.51 0.00 5.02 -1.26 -0.65 118.16 123.48 1uw0 n LYS 12 Ca -0.06 0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 1uw0 n LYS 12 Cb 0.50 -0.93 -0.14 0.00 -0.02 0.00 0.00 35.03 34.44 1uw0 n LYS 12 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1uw0 s ARG 13 N -2.28 0.32 0.00 1.97 0.52 -1.26 -4.74 118.95 113.47 1uw0 s ARG 13 Ca -0.16 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 1uw0 s ARG 13 Cb 0.05 -1.21 0.00 0.00 0.52 0.00 0.00 34.95 34.31 1uw0 s ARG 13 CO 0.21 -1.09 0.00 0.41 0.02 0.00 0.00 175.30 174.85 1uw0 n GLY 14 N 4.83 3.52 3.46 -3.53 0.00 -1.26 -5.11 105.19 107.09 1uw0 n GLY 14 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1uw0 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uw0 s THR 15 N 0.00 2.84 -0.01 2.61 -4.23 -1.26 -4.65 115.64 110.94 1uw0 s THR 15 Ca 0.00 -1.10 -0.22 0.00 -1.18 0.00 0.00 61.69 59.19 1uw0 s THR 15 Cb 0.00 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.71 1uw0 s THR 15 CO 0.00 0.38 0.49 0.00 -0.54 0.00 0.00 174.62 174.95 1uw0 s ALA 16 N -0.89 -1.25 0.02 3.99 0.00 -1.14 -4.91 121.76 117.57 1uw0 s ALA 16 Ca 0.14 0.71 -0.35 0.00 0.00 0.00 0.00 51.96 52.47 1uw0 s ALA 16 Cb -0.11 0.14 -0.13 0.00 0.00 0.00 0.00 23.12 23.02 1uw0 s ALA 16 CO 0.05 -0.37 1.69 0.41 0.00 0.00 0.00 175.76 177.54 1uw0 n GLY 17 N 0.89 1.18 3.70 0.00 0.00 -1.26 -1.05 105.19 108.65 1uw0 n GLY 17 Ca -0.20 0.77 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 1uw0 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uw0 s LYS 19 N 2.09 3.25 -0.84 0.00 -0.14 0.31 -3.36 119.74 121.05 1uw0 s LYS 19 Ca 0.74 1.11 0.00 0.00 -1.36 0.00 0.00 55.97 56.46 1uw0 s LYS 19 Cb -0.42 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 33.70 1uw0 s LYS 19 CO 0.32 -0.86 0.00 1.17 -0.76 0.00 0.00 175.35 175.23 1uw0 n LYS 20 N -2.33 -1.15 -3.62 1.68 3.00 -1.26 -3.98 118.16 110.50 1uw0 n LYS 20 Ca 0.08 0.71 -0.05 0.00 -0.00 0.00 0.00 58.31 59.04 1uw0 n LYS 20 Cb 0.53 -4.77 -0.04 0.00 0.00 0.00 0.00 35.03 30.75 1uw0 n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uw0 s LYS 22 N -1.10 3.61 0.09 0.00 3.01 -1.26 -4.45 119.74 119.63 1uw0 s LYS 22 Ca 0.05 -1.56 -0.08 0.00 -1.01 0.00 0.00 55.97 53.36 1uw0 s LYS 22 Cb -0.01 -5.08 0.03 0.00 -1.01 0.00 0.00 37.83 31.76 1uw0 s LYS 22 CO -0.04 -1.93 0.40 -1.91 0.51 0.00 0.00 175.35 172.38 1uw0 n GLU 23 N 7.36 0.30 -4.22 1.68 2.13 -1.26 -5.02 120.64 121.60 1uw0 n GLU 23 Ca 0.28 -0.65 -0.19 0.00 0.66 0.00 0.00 57.16 57.26 1uw0 n GLU 23 Cb 0.50 0.86 -0.12 0.00 0.27 0.00 0.00 31.44 32.94 1uw0 n GLU 23 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1uw0 s LYS 24 N -2.02 0.87 -0.27 5.31 -2.85 -1.26 -0.56 119.74 118.96 1uw0 s LYS 24 Ca 0.09 -0.94 -0.10 0.00 -1.00 0.00 0.00 55.97 54.02 1uw0 s LYS 24 Cb -0.01 -0.90 -0.05 0.00 -2.06 0.00 0.00 37.83 34.81 1uw0 s LYS 24 CO 0.03 0.21 0.16 0.42 0.10 0.00 0.00 175.35 176.26 1uw0 s ILE 25 N -1.18 5.12 0.21 3.79 1.01 -0.21 -4.74 121.20 125.18 1uw0 s ILE 25 Ca -0.01 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.82 1uw0 s ILE 25 Cb -0.10 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1uw0 s ILE 25 CO 0.02 0.28 0.09 -0.69 0.00 0.00 0.00 174.94 174.64 1uw0 s VAL 26 N 1.63 4.06 0.02 2.92 1.01 -1.26 -2.90 120.40 125.88 1uw0 s VAL 26 Ca 0.07 -1.41 -0.36 0.00 0.00 0.00 0.00 61.98 60.27 1uw0 s VAL 26 Cb -0.15 -3.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.96 1uw0 s VAL 26 CO 0.09 -0.22 1.57 0.29 0.00 0.00 0.00 175.10 176.83 1uw0 n LYS 27 N -0.59 1.61 0.00 2.72 5.02 -1.26 -2.39 118.16 123.27 1uw0 n LYS 27 Ca -0.08 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1uw0 n LYS 27 Cb 0.56 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 1uw0 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uw0 n GLY 28 N 3.38 1.09 3.43 0.72 0.00 0.18 -4.99 105.19 109.00 1uw0 n GLY 28 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1uw0 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uw0 s VAL 29 N -2.00 3.11 0.11 1.61 0.11 -1.01 -4.90 120.40 117.43 1uw0 s VAL 29 Ca 0.00 -0.67 -0.30 0.00 -2.93 0.00 0.00 61.98 58.08 1uw0 s VAL 29 Cb 0.00 -2.27 -0.06 0.00 -1.53 0.00 0.00 36.38 32.53 1uw0 s VAL 29 CO 0.00 0.56 1.02 0.00 -3.33 0.00 0.00 175.10 173.35 1uw0 s ARG 31 N 0.17 0.82 -0.20 0.00 1.70 -1.25 -4.45 118.95 115.73 1uw0 s ARG 31 Ca 0.49 -0.38 -0.05 0.00 -0.47 0.00 0.00 55.73 55.32 1uw0 s ARG 31 Cb -0.25 -0.79 -0.03 0.00 -0.57 0.00 0.00 34.95 33.32 1uw0 s ARG 31 CO 0.31 0.21 0.01 0.42 -1.08 0.00 0.00 175.30 175.17 1uw0 s ILE 32 N -0.27 4.07 -0.01 4.99 1.01 -1.09 -2.19 121.20 127.70 1uw0 s ILE 32 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 1uw0 s ILE 32 Cb -0.04 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1uw0 s ILE 32 CO -0.00 0.43 0.07 -0.83 0.00 0.00 0.00 174.94 174.61 1uw0 s GLY 33 N 0.93 2.00 -0.06 6.18 0.00 0.23 -3.46 107.32 113.14 1uw0 s GLY 33 Ca 0.02 -0.86 0.06 0.00 0.00 0.00 0.00 44.72 43.93 1uw0 s GLY 33 CO 0.02 -0.73 -0.24 -1.59 0.00 0.00 0.00 173.10 170.56 1uw0 s LYS 34 N -1.65 2.60 -0.30 2.90 -2.85 -1.25 0.12 119.74 119.31 1uw0 s LYS 34 Ca 0.22 -0.89 -0.04 0.00 -1.00 0.00 0.00 55.97 54.26 1uw0 s LYS 34 Cb -0.12 -2.20 0.03 0.00 -2.06 0.00 0.00 37.83 33.49 1uw0 s LYS 34 CO 0.13 0.38 0.04 0.08 0.10 0.00 0.00 175.35 176.08 1uw0 s VAL 35 N -0.16 3.40 -0.27 1.79 1.01 -0.47 -3.81 120.40 121.89 1uw0 s VAL 35 Ca -0.03 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 1uw0 s VAL 35 Cb -0.14 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.42 1uw0 s VAL 35 CO 0.04 -0.04 -0.06 -0.69 0.00 0.00 0.00 175.10 174.35 1uw0 s VAL 36 N 1.36 2.70 -0.01 2.92 1.01 -1.22 -3.57 120.40 123.60 1uw0 s VAL 36 Ca -0.02 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.37 1uw0 s VAL 36 Cb -0.19 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1uw0 s VAL 36 CO 0.00 0.06 1.29 -2.16 0.00 0.00 0.00 175.10 174.29 1uw0 s PRO 37 N 1.24 4.33 -0.27 2.72 0.04 -1.26 -3.61 135.00 138.20 1uw0 s PRO 37 Ca -0.04 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 62.75 1uw0 s PRO 37 Cb -0.18 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 1uw0 s PRO 37 CO -0.04 -0.48 0.10 1.21 0.04 0.00 0.00 177.00 177.84 1uw0 s ASN 38 N 1.57 5.30 -0.94 6.66 3.84 -0.65 -5.00 114.94 125.74 1uw0 s ASN 38 Ca 0.60 -0.30 -0.21 0.00 0.21 0.00 0.00 52.86 53.16 1uw0 s ASN 38 Cb -0.29 -1.96 -0.11 0.00 -0.55 0.00 0.00 41.25 38.34 1uw0 s ASN 38 CO 0.25 -0.09 1.96 -0.81 -2.79 0.00 0.00 177.10 175.63 1uw0 n PRO 39 N 4.95 1.76 0.16 0.43 -0.04 -1.26 -4.03 135.00 136.96 1uw0 n PRO 39 Ca -0.15 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1uw0 n PRO 39 Cb 0.51 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 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 8.27 -3.01 -4.16 0.54 7.35 -1.26 -5.13 117.46 120.07 1uw0 n PHE 40 Ca 0.49 0.72 -0.25 0.00 -0.76 0.00 0.00 57.45 57.66 1uw0 n PHE 40 Cb 0.41 1.45 -0.06 0.00 0.35 0.00 0.00 39.48 41.64 1uw0 n PHE 40 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1uw0 s SER 41 N -4.22 5.15 -0.23 -2.13 0.15 -1.26 -5.05 113.70 106.11 1uw0 s SER 41 Ca 0.00 -0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 1uw0 s SER 41 Cb 0.00 -1.22 -0.19 0.00 -1.71 0.00 0.00 66.02 62.91 1uw0 s SER 41 CO 0.00 0.04 -0.10 -0.62 1.20 0.00 0.00 173.24 173.76 1uw0 n GLU 42 N -0.59 0.67 -0.34 5.44 1.02 -1.26 -3.61 120.64 121.97 1uw0 n GLU 42 Ca -0.08 0.20 0.06 0.00 -0.02 0.00 0.00 57.16 57.31 1uw0 n GLU 42 Cb 0.56 -1.57 0.24 0.00 -0.02 0.00 0.00 31.44 30.66 1uw0 n GLU 42 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1uw0 h SER 43 N -0.11 0.92 0.00 1.62 0.02 -2.01 -3.27 113.55 110.72 1uw0 h SER 43 Ca -0.55 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1uw0 h SER 43 Cb 1.88 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.26 1uw0 h SER 43 CO -0.09 0.54 0.00 0.61 -1.14 0.00 0.00 176.83 176.75 1uw0 n GLY 44 N -1.37 -0.31 4.88 -3.77 0.00 -1.26 -4.92 105.19 98.44 1uw0 n GLY 44 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.83 2.32 3.07 -0.02 0.00 -1.24 -4.81 105.19 106.34 1uw0 n GLY 45 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1uw0 n GLY 45 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1uw0 s ASP 46 N -2.92 1.24 -0.07 1.61 -4.77 -1.26 -1.63 116.67 108.87 1uw0 s ASP 46 Ca 0.00 -0.33 0.05 0.00 -3.30 0.00 0.00 52.55 48.97 1uw0 s ASP 46 Cb 0.00 -0.09 -0.01 0.00 -1.09 0.00 0.00 42.92 41.73 1uw0 s ASP 46 CO 0.00 0.03 -0.21 -0.04 0.70 0.00 0.00 175.17 175.65 1uw0 s MET 47 N -0.76 2.67 0.02 2.11 -1.94 -1.24 -4.93 119.30 115.24 1uw0 s MET 47 Ca 0.01 -0.83 0.07 0.00 -1.71 0.00 0.00 55.69 53.23 1uw0 s MET 47 Cb -0.06 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.47 1uw0 s MET 47 CO 0.00 0.41 -0.19 0.21 -0.01 0.00 0.00 175.02 175.43 1uw0 s LYS 48 N -0.20 2.09 -0.02 2.03 2.20 -1.26 -3.39 119.74 121.20 1uw0 s LYS 48 Ca -0.02 -0.96 0.03 0.00 -0.36 0.00 0.00 55.97 54.67 1uw0 s LYS 48 Cb -0.13 -2.17 -0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1uw0 s LYS 48 CO 0.03 0.55 -0.10 -1.21 -0.36 0.00 0.00 175.35 174.27 1uw0 s GLU 49 N -1.24 0.91 -0.31 4.03 2.02 -1.25 -4.93 118.70 117.93 1uw0 s GLU 49 Ca 0.13 -0.34 -0.17 0.00 0.02 0.00 0.00 54.97 54.61 1uw0 s GLU 49 Cb -0.10 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 33.25 1uw0 s GLU 49 CO 0.04 0.16 0.47 -1.58 0.02 0.00 0.00 175.26 174.37 1uw0 s TRP 50 N -0.01 3.22 0.37 1.61 0.23 -1.26 -3.83 118.94 119.26 1uw0 s TRP 50 Ca 0.00 0.32 0.04 0.00 -2.03 0.00 0.00 56.10 54.43 1uw0 s TRP 50 Cb -0.06 -2.78 -0.05 0.00 0.03 0.00 0.00 33.47 30.60 1uw0 s TRP 50 CO 0.00 -0.41 0.06 1.52 0.96 0.00 0.00 176.95 179.09 1uw0 s TYR 51 N 2.28 1.98 0.26 -1.98 1.13 -1.22 0.11 117.35 119.91 1uw0 s TYR 51 Ca 0.18 -0.99 -0.02 0.00 -1.41 0.00 0.00 57.07 54.83 1uw0 s TYR 51 Cb -0.16 -1.34 0.05 0.00 -1.10 0.00 0.00 41.96 39.42 1uw0 s TYR 51 CO 0.11 0.01 0.35 0.72 -2.51 0.00 0.00 175.55 174.24 1uw0 n HIS 52 N -0.81 -3.45 -0.09 -3.49 8.25 -1.26 -2.68 115.22 111.69 1uw0 n HIS 52 Ca -0.05 -0.51 -0.18 0.00 -0.26 0.00 0.00 57.72 56.72 1uw0 n HIS 52 Cb 0.66 -0.26 -0.11 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.67 1.15 -0.75 1.59 1.08 -1.99 -2.80 117.51 115.12 1uw0 h ILE 53 Ca -0.11 -2.15 -0.02 0.00 -0.39 0.00 0.00 64.86 62.19 1uw0 h ILE 53 Cb 0.39 2.46 -0.04 0.00 -3.07 0.00 0.00 36.82 36.56 1uw0 h ILE 53 CO 0.11 0.39 0.38 0.50 -0.69 0.00 0.00 178.15 178.84 1uw0 h LYS 54 N -1.00 1.06 0.09 2.37 3.64 -1.96 0.70 116.57 121.47 1uw0 h LYS 54 Ca -0.20 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1uw0 h LYS 54 Cb 1.12 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1uw0 h LYS 54 CO -0.12 0.80 -0.04 0.00 -2.27 0.00 0.00 179.45 177.82 1uw0 h MET 56 N -0.21 0.48 0.00 0.00 1.85 -1.19 -2.28 114.93 113.58 1uw0 h MET 56 Ca -0.01 -0.18 -0.06 0.00 -0.61 0.00 0.00 59.70 58.84 1uw0 h MET 56 Cb 0.17 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 1uw0 h MET 56 CO 0.02 0.70 -0.29 0.74 -0.40 0.00 0.00 176.91 177.68 1uw0 h PHE 57 N 0.23 0.00 -0.33 1.39 -1.00 0.49 0.43 116.94 118.15 1uw0 h PHE 57 Ca 0.06 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.73 1uw0 h PHE 57 Cb 0.51 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 1uw0 h PHE 57 CO 0.05 0.29 -0.24 1.49 -1.61 0.00 0.00 178.31 178.29 1uw0 h GLU 58 N 0.00 0.74 -0.05 1.51 4.57 0.11 0.68 114.58 122.13 1uw0 h GLU 58 Ca -0.00 -0.36 -0.19 0.00 -1.18 0.00 0.00 59.36 57.63 1uw0 h GLU 58 Cb 0.56 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1uw0 h GLU 58 CO 0.04 0.97 -0.73 0.87 -1.18 0.00 0.00 179.01 178.98 1uw0 h LYS 59 N 0.51 0.57 -0.76 1.92 1.57 -1.12 -2.39 116.57 116.86 1uw0 h LYS 59 Ca 0.06 -0.56 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 1uw0 h LYS 59 Cb 0.79 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 1uw0 h LYS 59 CO 0.06 1.18 0.35 1.25 -0.57 0.00 0.00 179.45 181.72 1uw0 h LEU 60 N 0.18 1.00 -1.10 2.94 5.85 -0.11 0.13 115.31 124.20 1uw0 h LEU 60 Ca -0.08 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 1uw0 h LEU 60 Cb 1.40 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1uw0 h LEU 60 CO 0.15 0.85 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.74 1uw0 h GLU 61 N 1.09 0.29 -0.56 1.25 4.81 0.40 -2.88 114.58 118.97 1uw0 h GLU 61 Ca 0.26 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1uw0 h GLU 61 Cb 0.13 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1uw0 h GLU 61 CO -0.03 0.55 0.00 0.54 -0.73 0.00 0.00 179.01 179.34 1uw0 n ARG 62 N -4.13 3.87 -3.61 1.92 1.74 -0.82 -4.82 116.66 110.81 1uw0 n ARG 62 Ca -0.01 -2.90 -0.29 0.00 -0.77 0.00 0.00 57.85 53.87 1uw0 n ARG 62 Cb 0.39 -1.94 -0.14 0.00 -1.02 0.00 0.00 32.46 29.75 1uw0 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uw0 s ALA 63 N -2.14 1.10 -0.31 7.54 0.00 0.39 -5.02 121.76 123.31 1uw0 s ALA 63 Ca 0.49 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1uw0 s ALA 63 Cb 0.34 -1.54 0.09 0.00 0.00 0.00 0.00 23.12 22.01 1uw0 s ALA 63 CO 0.20 -1.75 0.03 1.03 0.00 0.00 0.00 175.76 175.28 1uw0 s ARG 64 N 1.67 1.41 -0.11 0.00 3.00 -1.26 -4.77 118.95 118.88 1uw0 s ARG 64 Ca 0.11 -1.56 -0.05 0.00 0.00 0.00 0.00 55.73 54.24 1uw0 s ARG 64 Cb -0.18 -2.85 -0.26 0.00 0.00 0.00 0.00 34.95 31.66 1uw0 s ARG 64 CO -0.25 -0.88 0.42 0.00 0.00 0.00 0.00 175.30 174.59 1uw0 n ALA 65 N 4.44 0.94 0.10 2.13 0.00 -1.26 -4.98 120.51 121.89 1uw0 n ALA 65 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1uw0 n ALA 65 Cb 0.42 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1uw0 n ALA 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1uw0 n THR 66 N -3.44 0.00 -4.37 0.00 -1.04 -1.26 -5.15 114.28 99.02 1uw0 n THR 66 Ca -0.30 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.47 1uw0 n THR 66 Cb 1.05 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.47 1uw0 n THR 66 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1uw0 s THR 67 N -2.00 2.77 0.06 12.58 -1.32 -1.26 -5.13 115.64 121.33 1uw0 s THR 67 Ca 0.00 -2.08 -0.07 0.00 -1.21 0.00 0.00 61.69 58.33 1uw0 s THR 67 Cb 0.00 -2.67 -0.05 0.00 -1.51 0.00 0.00 72.50 68.26 1uw0 s THR 67 CO 0.00 -0.29 0.32 -0.75 -2.21 0.00 0.00 174.62 171.69 1uw0 s LYS 68 N -3.65 3.63 0.25 7.08 2.20 -1.26 -5.00 119.74 122.99 1uw0 s LYS 68 Ca 0.33 -0.03 0.05 0.00 -0.36 0.00 0.00 55.97 55.96 1uw0 s LYS 68 Cb -0.03 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1uw0 s LYS 68 CO 0.18 0.58 0.37 0.15 -0.36 0.00 0.00 175.35 176.28 1uw0 s LYS 69 N -2.03 3.40 -0.15 4.03 1.02 -1.26 -4.84 119.74 119.91 1uw0 s LYS 69 Ca 0.32 -0.79 -0.09 0.00 0.02 0.00 0.00 55.97 55.43 1uw0 s LYS 69 Cb -0.13 -2.88 0.04 0.00 -0.52 0.00 0.00 37.83 34.33 1uw0 s LYS 69 CO 0.19 0.39 0.18 -0.89 -0.92 0.00 0.00 175.35 174.31 1uw0 n ILE 70 N -1.43-10.21 -4.54 2.17 5.41 -1.26 -4.99 119.36 104.50 1uw0 n ILE 70 Ca -0.08 2.13 -0.34 0.00 1.00 0.00 0.00 62.75 65.46 1uw0 n ILE 70 Cb 0.57 -5.67 -0.12 0.00 -0.71 0.00 0.00 39.64 33.71 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 -0.59 3.22 1.70 0.38 2.02 -1.26 -5.02 118.70 119.15 1uw0 s GLU 71 Ca -0.21 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1uw0 s GLU 71 Cb 0.01 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1uw0 s GLU 71 CO 0.62 0.44 0.00 -3.47 0.02 0.00 0.00 175.26 172.86 1uw0 n ASP 72 N 2.92 -2.98 -2.67 -0.19 2.03 -1.26 -4.24 116.55 110.16 1uw0 n ASP 72 Ca -0.18 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.88 1uw0 n ASP 72 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 1uw0 n ASP 72 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1uw0 n LEU 73 N 0.00 4.34 -2.26 -2.67 7.94 -1.26 -4.76 117.00 118.33 1uw0 n LEU 73 Ca 0.00 -5.30 -0.02 0.00 -1.11 0.00 0.00 56.01 49.58 1uw0 n LEU 73 Cb 0.00 -0.41 0.06 0.00 0.53 0.00 0.00 43.42 43.60 1uw0 n LEU 73 CO 0.00 2.25 0.38 0.35 -1.11 0.00 0.00 177.39 179.25 1uw0 n THR 74 N -0.35 0.29 -2.22 1.96 -2.24 -1.26 -4.93 114.28 105.52 1uw0 n THR 74 Ca 0.34 -1.25 0.04 0.00 -2.27 0.00 0.00 64.05 60.92 1uw0 n THR 74 Cb 0.57 0.97 0.08 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.83 0.55 -4.15 -0.78 0.00 -1.26 -5.08 120.64 109.10 1uw0 n GLU 75 Ca -0.12 -2.45 -0.14 0.00 0.00 0.00 0.00 57.16 54.45 1uw0 n GLU 75 Cb 0.85 -0.55 -0.11 0.00 0.00 0.00 0.00 31.44 31.63 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 -1.10 2.38 -0.59 4.31 1.43 -1.26 -4.80 118.68 119.04 1uw0 s LEU 76 Ca 0.35 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.43 1uw0 s LEU 76 Cb 0.38 -0.24 0.05 0.00 0.03 0.00 0.00 46.19 46.41 1uw0 s LEU 76 CO -0.13 -0.28 0.97 -1.61 0.23 0.00 0.00 176.35 175.53 1uw0 s GLU 77 N -2.65 3.27 0.00 1.70 0.41 -1.25 -4.04 118.70 116.14 1uw0 s GLU 77 Ca 0.03 -0.39 0.00 0.00 -0.41 0.00 0.00 54.97 54.20 1uw0 s GLU 77 Cb -0.03 -4.10 0.00 0.00 -1.78 0.00 0.00 34.13 28.21 1uw0 s GLU 77 CO -0.01 -1.61 0.00 0.41 -0.49 0.00 0.00 175.26 173.56 1uw0 n GLY 78 N 5.18 2.85 0.34 -1.39 0.00 -1.26 -2.98 105.19 107.94 1uw0 n GLY 78 Ca 0.01 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 0.64 0.00 1.61 5.08 -1.87 0.97 115.95 122.38 1uw0 h TRP 79 Ca 0.00 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 59.84 1uw0 h TRP 79 Cb 0.00 -0.21 -0.02 0.00 -3.00 0.00 0.00 29.16 25.93 1uw0 h TRP 79 CO 0.00 0.35 -0.70 1.49 -1.28 0.00 0.00 178.44 178.30 1uw0 h GLU 80 N 0.64 0.00 0.00 0.12 4.57 -1.94 -3.32 114.58 114.64 1uw0 h GLU 80 Ca 0.27 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.25 1uw0 h GLU 80 Cb 0.24 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1uw0 h GLU 80 CO -0.08 0.70 -2.14 0.39 -1.18 0.00 0.00 179.01 176.70 1uw0 n GLU 81 N -3.62 0.67 -0.90 1.92 1.02 -0.66 -4.98 120.64 114.09 1uw0 n GLU 81 Ca -0.01 -0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 56.90 1uw0 n GLU 81 Cb 0.70 -1.55 0.13 0.00 -0.02 0.00 0.00 31.44 30.70 1uw0 n GLU 81 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1uw0 n LEU 82 N -2.57 0.00 -4.73 -4.62 4.77 0.33 -4.99 117.00 105.19 1uw0 n LEU 82 Ca -0.19 -0.77 -0.35 0.00 -0.03 0.00 0.00 56.01 54.67 1uw0 n LEU 82 Cb 0.89 -0.58 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1uw0 n LEU 82 CO 0.44 -1.27 0.82 -1.61 -1.33 0.00 0.00 177.39 174.44 1uw0 s GLU 83 N -4.56 2.42 -0.09 3.23 2.02 -1.26 -4.95 118.70 115.51 1uw0 s GLU 83 Ca 0.42 1.79 -0.09 0.00 0.02 0.00 0.00 54.97 57.11 1uw0 s GLU 83 Cb -0.02 -1.86 -0.28 0.00 0.10 0.00 0.00 34.13 32.06 1uw0 s GLU 83 CO 0.30 -1.62 0.49 -0.44 0.02 0.00 0.00 175.26 174.01 1uw0 h ASP 84 N 0.10 0.50 0.15 -0.19 3.32 -1.94 -3.12 116.42 115.24 1uw0 h ASP 84 Ca -0.49 -0.95 -0.01 0.00 0.02 0.00 0.00 57.03 55.61 1uw0 h ASP 84 Cb 1.30 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1uw0 h ASP 84 CO 0.52 1.83 -0.07 0.78 -1.72 0.00 0.00 179.24 180.57 1uw0 h ASN 85 N 0.07 -0.17 -0.92 6.45 2.35 -2.00 -0.25 115.58 121.11 1uw0 h ASN 85 Ca -0.39 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.34 1uw0 h ASN 85 Cb 2.05 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 40.42 1uw0 h ASN 85 CO 0.12 -0.12 0.51 -0.33 -1.65 0.00 0.00 177.43 175.96 1uw0 h GLU 86 N -0.21 1.27 -0.90 0.81 5.08 -1.98 -2.21 114.58 116.43 1uw0 h GLU 86 Ca -0.02 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1uw0 h GLU 86 Cb 0.16 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1uw0 h GLU 86 CO 0.03 0.92 0.60 -0.22 -1.00 0.00 0.00 179.01 179.34 1uw0 h LYS 87 N 1.28 1.16 -0.71 2.33 3.11 -1.39 -1.52 116.57 120.83 1uw0 h LYS 87 Ca 0.32 -0.07 0.15 0.00 -2.81 0.00 0.00 60.65 58.24 1uw0 h LYS 87 Cb 0.01 -0.26 -0.04 0.00 -1.00 0.00 0.00 32.23 30.94 1uw0 h LYS 87 CO -0.05 0.77 0.48 1.49 -2.81 0.00 0.00 179.45 179.33 1uw0 h GLU 88 N 1.20 0.35 -0.82 1.90 4.81 -0.40 -0.76 114.58 120.85 1uw0 h GLU 88 Ca 0.34 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.61 1uw0 h GLU 88 Cb -0.09 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 1uw0 h GLU 88 CO -0.09 0.23 0.54 0.37 -0.73 0.00 0.00 179.01 179.33 1uw0 h GLN 89 N 0.36 0.89 -0.58 1.92 4.15 -1.21 -1.17 115.11 119.46 1uw0 h GLN 89 Ca 0.35 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 1uw0 h GLN 89 Cb 0.85 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 1uw0 h GLN 89 CO -0.10 0.59 0.24 0.82 -1.93 0.00 0.00 178.83 178.46 1uw0 h ILE 90 N 0.92 1.21 -0.85 2.39 2.04 -1.21 -2.12 117.51 119.87 1uw0 h ILE 90 Ca 0.35 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1uw0 h ILE 90 Cb 0.20 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 1uw0 h ILE 90 CO -0.12 0.25 0.56 0.74 0.00 0.00 0.00 178.15 179.58 1uw0 h THR 91 N 0.83 1.10 -0.86 -0.27 2.02 -1.24 -1.21 112.91 113.27 1uw0 h THR 91 Ca 0.20 -0.35 0.06 0.00 0.77 0.00 0.00 66.41 67.09 1uw0 h THR 91 Cb 0.15 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.50 1uw0 h THR 91 CO -0.02 0.18 0.56 -0.61 0.37 0.00 0.00 175.52 176.01 1uw0 h GLN 92 N 1.01 0.96 0.26 6.66 4.15 -1.30 -0.62 115.11 126.23 1uw0 h GLN 92 Ca 0.35 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 1uw0 h GLN 92 Cb 0.12 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1uw0 h GLN 92 CO -0.12 0.63 -0.19 0.45 -1.93 0.00 0.00 178.83 177.68 1uw0 h HIS 93 N 0.99 -0.49 -0.75 3.99 3.86 -1.21 0.28 115.15 121.83 1uw0 h HIS 93 Ca 0.36 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 1uw0 h HIS 93 Cb 0.17 0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 1uw0 h HIS 93 CO -0.00 -0.29 0.37 0.82 0.86 0.00 0.00 177.93 179.70 1uw0 h ILE 94 N -0.45 1.23 -0.62 2.45 5.03 -1.40 -2.27 117.51 121.49 1uw0 h ILE 94 Ca -0.02 -0.63 -0.07 0.00 -0.12 0.00 0.00 64.86 64.02 1uw0 h ILE 94 Cb 0.39 0.26 -0.03 0.00 -3.03 0.00 0.00 36.82 34.41 1uw0 h ILE 94 CO 0.00 0.27 0.09 0.00 -0.68 0.00 0.00 178.15 177.84 1uw0 h ALA 95 N 1.36 0.99 -0.89 1.87 0.00 -0.63 -1.82 119.26 120.14 1uw0 h ALA 95 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1uw0 h ALA 95 Cb 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1uw0 h ALA 95 CO -0.04 0.64 0.53 0.22 0.00 0.00 0.00 179.25 180.60 1uw0 h ASP 96 N 0.96 1.07 0.21 0.00 3.58 0.12 -2.45 116.42 119.91 1uw0 h ASP 96 Ca 0.19 -0.07 -0.16 0.00 0.42 0.00 0.00 57.03 57.41 1uw0 h ASP 96 Cb 0.42 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1uw0 h ASP 96 CO 0.01 0.83 -0.61 -0.07 -2.88 0.00 0.00 179.24 176.51 1uw0 h LEU 97 N 1.23 0.45 -6.39 2.28 4.07 -1.15 -3.31 115.31 112.49 1uw0 h LEU 97 Ca 0.32 -0.26 -0.80 0.00 0.08 0.00 0.00 57.88 57.22 1uw0 h LEU 97 Cb -0.04 -0.13 -0.28 0.00 1.08 0.00 0.00 40.66 41.29 1uw0 h LEU 97 CO -0.06 0.95 0.88 -0.24 -1.08 0.00 0.00 178.44 178.90 1uw0 n SER 98 N -3.90 6.96 -2.53 -0.43 2.88 -0.71 -4.66 113.62 111.22 1uw0 n SER 98 Ca -0.03 -3.61 -0.09 0.00 -1.33 0.00 0.00 58.87 53.80 1uw0 n SER 98 Cb 0.63 -1.17 0.04 0.00 -0.75 0.00 0.00 64.21 62.97 1uw0 n SER 98 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uw0 n SER 99 N 0.31 2.83 -3.80 -3.46 2.88 -1.20 -4.89 113.62 106.30 1uw0 n SER 99 Ca 0.40 -2.68 -0.13 0.00 -1.33 0.00 0.00 58.87 55.13 1uw0 n SER 99 Cb 0.29 -0.43 -0.14 0.00 -0.75 0.00 0.00 64.21 63.17 1uw0 n SER 99 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1uw0 s LYS 100 N -3.72 0.04 -0.05 -1.46 1.02 -1.26 -5.12 119.74 109.19 1uw0 s LYS 100 Ca 0.36 0.19 -0.02 0.00 0.02 0.00 0.00 55.97 56.52 1uw0 s LYS 100 Cb 0.36 -0.11 0.04 0.00 -0.52 0.00 0.00 37.83 37.59 1uw0 s LYS 100 CO -0.01 -0.10 0.09 0.00 -0.92 0.00 0.00 175.35 174.41 1uw0 s ALA 101 N 0.67 0.03 -0.43 5.17 0.00 -1.26 -5.09 121.76 120.85 1uw0 s ALA 101 Ca -0.05 0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.33 1uw0 s ALA 101 Cb -0.07 -0.57 0.19 0.00 0.00 0.00 0.00 23.12 22.67 1uw0 s ALA 101 CO -0.03 -0.38 0.46 0.00 0.00 0.00 0.00 175.76 175.81 1uw0 n ALA 102 N 4.92 1.80 -0.80 0.00 0.00 -1.26 -5.09 120.51 120.08 1uw0 n ALA 102 Ca -0.12 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.60 1uw0 n ALA 102 Cb 0.50 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1uw0 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uw0 n GLY 103 N 2.58 -3.97 2.29 0.00 0.00 -1.26 -4.98 105.19 99.84 1uw0 n GLY 103 Ca 0.26 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1uw0 n GLY 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uw0 n THR 104 N -0.39 -0.18 -2.30 2.61 -1.04 -1.26 -5.10 114.28 106.62 1uw0 n THR 104 Ca 0.00 -3.99 -0.43 0.00 -2.04 0.00 0.00 64.05 57.59 1uw0 n THR 104 Cb 0.00 -0.07 -0.02 0.00 -1.82 0.00 0.00 70.33 68.41 1uw0 n THR 104 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1uw0 s PRO 105 N -1.84 4.15 0.00 -2.82 0.04 -1.26 -5.01 135.00 128.27 1uw0 s PRO 105 Ca 0.37 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 1uw0 s PRO 105 Cb 0.32 -3.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 1uw0 s PRO 105 CO -0.08 -0.83 0.09 0.21 0.04 0.00 0.00 177.00 176.43 1uw0 s LYS 106 N 3.79 0.41 0.00 4.56 2.20 -1.26 -5.17 119.74 124.28 1uw0 s LYS 106 Ca 0.61 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.83 1uw0 s LYS 106 Cb -0.24 0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.24 1uw0 s LYS 106 CO 0.20 -0.09 -0.07 0.15 -0.36 0.00 0.00 175.35 175.18 1uw0 s LYS 107 N -1.28 0.54 -0.39 4.03 -0.14 -1.26 -5.12 119.74 116.12 1uw0 s LYS 107 Ca -0.14 -0.32 0.04 0.00 -1.36 0.00 0.00 55.97 54.18 1uw0 s LYS 107 Cb -0.08 -0.49 0.11 0.00 -1.68 0.00 0.00 37.83 35.69 1uw0 s LYS 107 CO 0.01 0.13 0.12 0.15 -0.76 0.00 0.00 175.35 174.99 1uw0 s LYS 108 N -0.39 1.57 -0.22 1.68 -0.14 -1.26 -5.07 119.74 115.92 1uw0 s LYS 108 Ca 0.01 -2.05 -0.00 0.00 -1.36 0.00 0.00 55.97 52.56 1uw0 s LYS 108 Cb -0.04 -3.15 0.06 0.00 -1.68 0.00 0.00 37.83 33.02 1uw0 s LYS 108 CO -0.00 -1.00 -0.03 0.00 -0.76 0.00 0.00 175.35 173.57 1uw0 s ALA 109 N 0.59 1.69 -0.11 5.17 0.00 -1.26 -5.11 121.76 122.72 1uw0 s ALA 109 Ca 0.13 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1uw0 s ALA 109 Cb -0.21 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1uw0 s ALA 109 CO -0.06 -1.20 -0.11 0.08 0.00 0.00 0.00 175.76 174.47 1uw0 s VAL 110 N 1.53 1.25 -0.24 0.00 1.01 -1.26 -5.10 120.40 117.58 1uw0 s VAL 110 Ca -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1uw0 s VAL 110 Cb -0.18 -1.20 0.08 0.00 0.00 0.00 0.00 36.38 35.07 1uw0 s VAL 110 CO -0.07 0.40 0.05 -0.69 0.00 0.00 0.00 175.10 174.79 1uw0 s VAL 111 N 1.40 0.69 -0.19 2.92 1.01 -1.26 -5.10 120.40 119.87 1uw0 s VAL 111 Ca 0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1uw0 s VAL 111 Cb -0.13 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 34.99 1uw0 s VAL 111 CO -0.06 -0.39 0.01 -1.10 0.00 0.00 0.00 175.10 173.56 1uw0 s GLN 112 N 1.75 0.86 -0.17 2.72 -0.21 -1.26 -5.12 119.66 118.23 1uw0 s GLN 112 Ca 0.03 -0.49 0.01 0.00 0.02 0.00 0.00 55.36 54.92 1uw0 s GLN 112 Cb -0.17 -2.12 0.01 0.00 1.00 0.00 0.00 33.01 31.73 1uw0 s GLN 112 CO -0.15 -0.60 -0.18 0.00 -2.12 0.00 0.00 175.29 172.24 1uw0 s ALA 113 N 1.77 2.41 -0.15 6.09 0.00 -1.26 -5.11 121.76 125.52 1uw0 s ALA 113 Ca -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1uw0 s ALA 113 Cb -0.17 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1uw0 s ALA 113 CO -0.07 -0.24 -0.17 0.15 0.00 0.00 0.00 175.76 175.43 1uw0 s LYS 114 N 1.13 2.51 -0.05 0.00 1.02 -1.26 -5.12 119.74 117.96 1uw0 s LYS 114 Ca 0.01 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.40 1uw0 s LYS 114 Cb -0.14 -2.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1uw0 s LYS 114 CO -0.07 -0.17 -0.21 -1.17 -0.92 0.00 0.00 175.35 172.81 1uw0 s LEU 115 N 1.27 2.32 -0.17 3.17 2.96 -1.26 -5.11 118.68 121.86 1uw0 s LEU 115 Ca 0.01 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1uw0 s LEU 115 Cb -0.14 -1.44 0.07 0.00 0.50 0.00 0.00 46.19 45.18 1uw0 s LEU 115 CO -0.08 0.28 0.13 0.42 -1.32 0.00 0.00 176.35 175.78 1uw0 s THR 116 N -0.36 -0.17 0.00 3.68 -4.23 -1.26 -5.38 115.64 107.93 1uw0 s THR 116 Ca 0.03 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1uw0 s THR 116 Cb -0.12 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.16 1uw0 s THR 116 CO 0.02 -0.21 0.19 0.41 -0.54 0.00 0.00 174.62 174.49