#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uw0 n ALA 2 N 0.00 4.44 -2.46 3.04 0.00 -1.26 -4.26 120.51 120.00 1uw0 n ALA 2 Ca 0.00 -3.85 -0.23 0.00 0.00 0.00 0.00 53.44 49.36 1uw0 n ALA 2 Cb 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 1uw0 n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1uw0 s GLU 3 N -3.42 1.65 -0.04 0.00 2.56 -1.26 -5.13 118.70 113.06 1uw0 s GLU 3 Ca 0.41 -1.78 0.06 0.00 0.00 0.00 0.00 54.97 53.65 1uw0 s GLU 3 Cb 0.42 -1.60 -0.02 0.00 2.00 0.00 0.00 34.13 34.93 1uw0 s GLU 3 CO -0.10 0.24 -0.21 -0.65 -0.56 0.00 0.00 175.26 173.99 1uw0 s GLN 4 N -3.57 2.36 -0.14 4.30 1.11 -1.26 -4.29 119.66 118.17 1uw0 s GLN 4 Ca 0.29 -0.82 0.01 0.00 0.01 0.00 0.00 55.36 54.86 1uw0 s GLN 4 Cb -0.02 -2.21 0.00 0.00 -1.01 0.00 0.00 33.01 29.77 1uw0 s GLN 4 CO 0.14 0.56 -0.18 1.03 0.01 0.00 0.00 175.29 176.84 1uw0 s ARG 5 N -0.58 3.15 0.02 2.91 1.81 -0.70 -5.00 118.95 120.56 1uw0 s ARG 5 Ca 0.09 -0.79 0.07 0.00 -1.72 0.00 0.00 55.73 53.37 1uw0 s ARG 5 Cb -0.11 -2.53 -0.03 0.00 -0.45 0.00 0.00 34.95 31.83 1uw0 s ARG 5 CO 0.00 0.04 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.42 1uw0 s PHE 6 N 0.72 2.56 -0.02 -0.53 0.08 -1.26 0.12 117.98 119.66 1uw0 s PHE 6 Ca -0.08 -0.26 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 1uw0 s PHE 6 Cb -0.16 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 1uw0 s PHE 6 CO 0.01 0.22 0.04 0.00 -0.10 0.00 0.00 175.22 175.39 1uw0 s VAL 8 N 0.20 4.72 0.04 0.00 -7.23 -0.45 0.12 120.40 117.81 1uw0 s VAL 8 Ca -0.02 -0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.00 1uw0 s VAL 8 Cb -0.02 -3.03 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 1uw0 s VAL 8 CO -0.01 0.59 0.05 -1.81 -0.31 0.00 0.00 175.10 173.61 1uw0 s ASP 9 N -1.01 0.28 0.15 4.85 1.01 0.24 -4.19 116.67 118.00 1uw0 s ASP 9 Ca 0.15 -0.68 0.05 0.00 0.71 0.00 0.00 52.55 52.78 1uw0 s ASP 9 Cb -0.12 0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.98 1uw0 s ASP 9 CO 0.04 -0.52 0.08 -0.31 0.21 0.00 0.00 175.17 174.67 1uw0 s TYR 10 N -2.92 3.05 0.24 4.23 2.02 -1.26 1.00 117.35 123.71 1uw0 s TYR 10 Ca -0.02 -0.04 -0.25 0.00 -0.37 0.00 0.00 57.07 56.38 1uw0 s TYR 10 Cb 0.01 -1.48 -0.09 0.00 -0.40 0.00 0.00 41.96 39.99 1uw0 s TYR 10 CO -0.06 0.52 0.85 0.00 -1.57 0.00 0.00 175.55 175.29 1uw0 s ALA 11 N -1.68 3.35 0.33 3.71 0.00 -1.05 -4.92 121.76 121.50 1uw0 s ALA 11 Ca 0.29 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1uw0 s ALA 11 Cb -0.10 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1uw0 s ALA 11 CO 0.22 0.25 0.00 1.63 0.00 0.00 0.00 175.76 177.85 1uw0 n LYS 12 N 1.08 0.00 -3.71 0.00 4.76 -1.26 -3.64 118.16 115.39 1uw0 n LYS 12 Ca -0.02 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.14 1uw0 n LYS 12 Cb 0.49 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.56 1uw0 n LYS 12 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1uw0 s ARG 13 N -2.00 1.60 0.00 1.97 3.00 -1.26 -4.71 118.95 117.55 1uw0 s ARG 13 Ca 0.00 -2.48 0.00 0.00 -1.00 0.00 0.00 55.73 52.25 1uw0 s ARG 13 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 34.95 32.44 1uw0 s ARG 13 CO 0.00 -1.25 0.00 0.41 0.00 0.00 0.00 175.30 174.46 1uw0 n GLY 14 N 2.87 2.06 2.89 8.12 0.00 -1.26 -5.14 105.19 114.73 1uw0 n GLY 14 Ca 0.17 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.55 -0.00 0.12 2.61 -4.23 -1.26 -4.49 115.64 106.84 1uw0 s THR 15 Ca 0.00 0.02 0.09 0.00 -1.18 0.00 0.00 61.69 60.62 1uw0 s THR 15 Cb 0.00 -0.05 -0.04 0.00 1.34 0.00 0.00 72.50 73.75 1uw0 s THR 15 CO 0.00 0.01 -0.22 0.00 -0.54 0.00 0.00 174.62 173.86 1uw0 s ALA 16 N 0.10 2.02 -0.24 3.99 0.00 -1.12 -4.85 121.76 121.67 1uw0 s ALA 16 Ca -0.01 -1.35 -0.24 0.00 0.00 0.00 0.00 51.96 50.35 1uw0 s ALA 16 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1uw0 s ALA 16 CO -0.00 0.40 0.82 0.20 0.00 0.00 0.00 175.76 177.18 1uw0 s GLY 17 N -2.07 1.77 0.02 0.00 0.00 -1.26 0.11 107.32 105.89 1uw0 s GLY 17 Ca 0.10 -0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 1uw0 s GLY 17 CO 0.05 1.79 1.71 0.00 0.00 0.00 0.00 173.10 176.65 1uw0 s LYS 19 N 3.41 2.97 -0.94 0.00 -0.14 -0.82 -3.34 119.74 120.89 1uw0 s LYS 19 Ca 0.76 2.09 -0.08 0.00 -1.36 0.00 0.00 55.97 57.38 1uw0 s LYS 19 Cb -0.38 -2.09 -0.01 0.00 -1.68 0.00 0.00 37.83 33.67 1uw0 s LYS 19 CO 0.33 -1.28 0.75 1.63 -0.76 0.00 0.00 175.35 176.02 1uw0 n LYS 20 N -1.35 -1.46 0.00 1.68 5.02 -1.26 -4.82 118.16 115.97 1uw0 n LYS 20 Ca 0.12 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 1uw0 n LYS 20 Cb 0.47 -4.59 0.00 0.00 -0.02 0.00 0.00 35.03 30.89 1uw0 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uw0 n LYS 22 N -1.34 -3.65 -1.52 0.00 4.81 -1.25 -5.03 118.16 110.19 1uw0 n LYS 22 Ca 0.00 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1uw0 n LYS 22 Cb 0.00 -4.18 0.00 0.00 0.02 0.00 0.00 35.03 30.87 1uw0 n LYS 22 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1uw0 n GLU 23 N -2.65 0.00 -4.12 1.64 4.07 -1.26 -5.04 120.64 113.28 1uw0 n GLU 23 Ca -0.07 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 56.93 1uw0 n GLU 23 Cb 0.56 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.83 1uw0 n GLU 23 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1uw0 s LYS 24 N -1.51 0.68 -0.32 5.31 2.20 -1.26 -2.76 119.74 122.07 1uw0 s LYS 24 Ca 0.00 -1.15 -0.05 0.00 -0.36 0.00 0.00 55.97 54.41 1uw0 s LYS 24 Cb 0.00 -0.09 0.04 0.00 -1.51 0.00 0.00 37.83 36.27 1uw0 s LYS 24 CO 0.00 -0.03 0.07 0.42 -0.36 0.00 0.00 175.35 175.45 1uw0 s ILE 25 N -3.14 3.57 0.41 5.43 1.01 0.29 -4.81 121.20 123.96 1uw0 s ILE 25 Ca 0.05 -1.18 0.08 0.00 0.00 0.00 0.00 60.65 59.60 1uw0 s ILE 25 Cb 0.02 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1uw0 s ILE 25 CO -0.05 -0.14 0.27 0.68 0.00 0.00 0.00 174.94 175.70 1uw0 s VAL 26 N 1.37 2.58 0.23 2.92 -7.23 -1.26 -2.79 120.40 116.21 1uw0 s VAL 26 Ca -0.02 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 1uw0 s VAL 26 Cb -0.19 -3.00 -0.15 0.00 0.56 0.00 0.00 36.38 33.59 1uw0 s VAL 26 CO 0.02 -0.02 0.91 1.17 -0.31 0.00 0.00 175.10 176.86 1uw0 n LYS 27 N -1.38 0.90 0.00 4.82 4.81 -1.26 -2.42 118.16 123.62 1uw0 n LYS 27 Ca 0.01 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1uw0 n LYS 27 Cb 0.63 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 34.07 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 1.60 2.70 3.47 3.14 0.00 -1.24 -4.95 105.19 109.91 1uw0 n GLY 28 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.50 3.16 0.08 1.61 0.11 -1.02 -4.97 120.40 116.88 1uw0 s VAL 29 Ca 0.00 -0.67 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 1uw0 s VAL 29 Cb 0.00 -2.27 -0.06 0.00 -1.53 0.00 0.00 36.38 32.52 1uw0 s VAL 29 CO 0.00 0.58 0.50 0.00 -3.33 0.00 0.00 175.10 172.85 1uw0 s ARG 31 N -1.51 1.05 -0.08 0.00 1.70 0.28 -3.62 118.95 116.77 1uw0 s ARG 31 Ca 0.31 -1.21 0.01 0.00 -0.47 0.00 0.00 55.73 54.37 1uw0 s ARG 31 Cb -0.16 -1.04 -0.03 0.00 -0.57 0.00 0.00 34.95 33.15 1uw0 s ARG 31 CO 0.18 0.21 -0.10 0.42 -1.08 0.00 0.00 175.30 174.93 1uw0 s ILE 32 N -1.84 3.43 -0.17 4.99 1.01 -1.11 0.79 121.20 128.30 1uw0 s ILE 32 Ca 0.08 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1uw0 s ILE 32 Cb -0.07 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1uw0 s ILE 32 CO 0.04 0.57 0.00 -0.83 0.00 0.00 0.00 174.94 174.72 1uw0 s GLY 33 N -0.47 1.78 -0.26 6.18 0.00 0.33 -1.68 107.32 113.21 1uw0 s GLY 33 Ca 0.07 -0.82 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 1uw0 s GLY 33 CO 0.02 0.02 0.02 1.25 0.00 0.00 0.00 173.10 174.41 1uw0 s LYS 34 N 0.45 3.20 -0.35 2.90 2.20 -1.14 -0.54 119.74 126.47 1uw0 s LYS 34 Ca -0.01 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.77 1uw0 s LYS 34 Cb -0.14 -3.20 0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1uw0 s LYS 34 CO 0.02 -0.34 0.12 0.08 -0.36 0.00 0.00 175.35 174.87 1uw0 s VAL 35 N 1.48 3.83 -0.24 4.02 1.01 0.12 -3.49 120.40 127.14 1uw0 s VAL 35 Ca 0.04 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1uw0 s VAL 35 Cb -0.16 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.08 1uw0 s VAL 35 CO -0.00 -0.21 -0.13 -0.69 0.00 0.00 0.00 175.10 174.07 1uw0 s VAL 36 N 1.40 2.08 0.15 2.92 1.01 -1.23 -1.71 120.40 125.02 1uw0 s VAL 36 Ca -0.01 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.25 1uw0 s VAL 36 Cb -0.20 -2.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.98 1uw0 s VAL 36 CO 0.03 0.11 1.19 -2.16 0.00 0.00 0.00 175.10 174.27 1uw0 s PRO 37 N 1.18 4.48 -0.28 2.72 0.04 -1.26 -3.84 135.00 138.04 1uw0 s PRO 37 Ca -0.05 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.73 1uw0 s PRO 37 Cb -0.18 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 1uw0 s PRO 37 CO -0.07 -0.12 0.13 1.21 0.04 0.00 0.00 177.00 178.19 1uw0 s ASN 38 N 0.36 5.55 -0.95 6.66 2.47 -0.19 -4.77 114.94 124.07 1uw0 s ASN 38 Ca 0.54 -0.22 -0.20 0.00 0.42 0.00 0.00 52.86 53.40 1uw0 s ASN 38 Cb -0.32 -2.01 -0.11 0.00 -1.45 0.00 0.00 41.25 37.36 1uw0 s ASN 38 CO 0.34 -0.08 1.98 -0.81 -3.72 0.00 0.00 177.10 174.81 1uw0 n PRO 39 N 4.99 1.82 0.17 0.43 -0.04 -1.26 -3.97 135.00 137.15 1uw0 n PRO 39 Ca -0.15 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1uw0 n PRO 39 Cb 0.51 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 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 7.77 -3.47 -4.29 0.54 -0.00 -1.26 -5.02 117.46 111.73 1uw0 n PHE 40 Ca 0.50 0.97 -0.25 0.00 -0.00 0.00 0.00 57.45 58.66 1uw0 n PHE 40 Cb 0.41 2.23 -0.08 0.00 -0.00 0.00 0.00 39.48 42.04 1uw0 n PHE 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1uw0 s SER 41 N -3.43 4.40 -0.20 -2.13 0.01 -1.25 -5.06 113.70 106.05 1uw0 s SER 41 Ca 0.00 -0.61 -0.00 0.00 1.31 0.00 0.00 55.95 56.65 1uw0 s SER 41 Cb 0.00 -0.79 -0.21 0.00 0.21 0.00 0.00 66.02 65.23 1uw0 s SER 41 CO 0.00 0.05 0.04 1.21 0.41 0.00 0.00 173.24 174.95 1uw0 n GLU 42 N -0.41 0.69 -0.36 12.44 4.07 -1.26 -3.56 120.64 132.25 1uw0 n GLU 42 Ca -0.08 0.19 0.03 0.00 -0.06 0.00 0.00 57.16 57.24 1uw0 n GLU 42 Cb 0.57 -1.60 0.19 0.00 -0.06 0.00 0.00 31.44 30.54 1uw0 n GLU 42 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1uw0 h SER 43 N 0.03 1.01 0.27 4.31 0.02 -2.00 -3.12 113.55 114.06 1uw0 h SER 43 Ca -0.51 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1uw0 h SER 43 Cb 1.97 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.31 1uw0 h SER 43 CO -0.01 0.64 -0.13 1.23 -1.14 0.00 0.00 176.83 177.42 1uw0 h GLY 44 N 1.14 -0.38 0.00 -3.77 0.00 -1.99 -3.47 103.07 94.61 1uw0 h GLY 44 Ca 0.43 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1uw0 h GLY 44 CO -0.17 -0.14 0.00 0.61 0.00 0.00 0.00 176.54 176.84 1uw0 n GLY 45 N 0.80 1.31 3.09 4.60 0.00 -1.18 -4.69 105.19 109.11 1uw0 n GLY 45 Ca -0.05 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.00 1.20 0.01 1.61 -4.77 -1.26 -1.02 116.67 108.44 1uw0 s ASP 46 Ca 0.00 -0.47 0.06 0.00 -3.30 0.00 0.00 52.55 48.84 1uw0 s ASP 46 Cb 0.00 -0.03 -0.03 0.00 -1.09 0.00 0.00 42.92 41.77 1uw0 s ASP 46 CO 0.00 -0.08 -0.16 -0.04 0.70 0.00 0.00 175.17 175.59 1uw0 s MET 47 N -1.28 2.23 -0.16 2.11 -1.94 -1.25 -4.91 119.30 114.11 1uw0 s MET 47 Ca -0.04 -0.88 0.01 0.00 -1.71 0.00 0.00 55.69 53.08 1uw0 s MET 47 Cb -0.08 -2.26 0.01 0.00 2.01 0.00 0.00 34.83 34.50 1uw0 s MET 47 CO 0.01 0.57 -0.19 0.21 -0.01 0.00 0.00 175.02 175.61 1uw0 s LYS 48 N -1.23 3.09 -0.06 2.03 2.20 -1.25 -3.53 119.74 120.98 1uw0 s LYS 48 Ca 0.14 -0.81 0.04 0.00 -0.36 0.00 0.00 55.97 54.98 1uw0 s LYS 48 Cb -0.11 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.65 1uw0 s LYS 48 CO 0.04 -0.05 -0.19 -1.21 -0.36 0.00 0.00 175.35 173.58 1uw0 s GLU 49 N 0.94 2.59 -0.07 4.03 2.02 -1.23 -4.87 118.70 122.12 1uw0 s GLU 49 Ca -0.03 -0.79 -0.16 0.00 0.02 0.00 0.00 54.97 54.00 1uw0 s GLU 49 Cb -0.15 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.73 1uw0 s GLU 49 CO -0.04 0.49 0.43 -1.58 0.02 0.00 0.00 175.26 174.58 1uw0 s TRP 50 N -0.39 3.61 0.47 1.61 0.23 -1.26 -2.88 118.94 120.32 1uw0 s TRP 50 Ca 0.04 0.91 0.03 0.00 -2.03 0.00 0.00 56.10 55.05 1uw0 s TRP 50 Cb -0.12 -2.42 -0.03 0.00 0.03 0.00 0.00 33.47 30.93 1uw0 s TRP 50 CO 0.02 0.39 0.02 0.71 0.96 0.00 0.00 176.95 179.05 1uw0 s TYR 51 N -0.16 2.01 0.16 -1.98 2.02 -0.67 -1.94 117.35 116.79 1uw0 s TYR 51 Ca 0.24 -0.93 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 1uw0 s TYR 51 Cb -0.16 -1.57 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1uw0 s TYR 51 CO 0.11 0.20 0.22 0.72 -1.57 0.00 0.00 175.55 175.23 1uw0 n HIS 52 N -1.12 -3.02 0.07 2.71 8.25 -1.26 -2.76 115.22 118.08 1uw0 n HIS 52 Ca -0.13 -0.48 -0.19 0.00 -0.26 0.00 0.00 57.72 56.66 1uw0 n HIS 52 Cb 0.67 -0.15 -0.14 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.18 1.07 0.00 1.59 1.08 -1.98 -3.23 117.51 115.86 1uw0 h ILE 53 Ca -0.07 -2.69 -0.21 0.00 -0.39 0.00 0.00 64.86 61.50 1uw0 h ILE 53 Cb 0.30 2.76 -0.04 0.00 -3.07 0.00 0.00 36.82 36.77 1uw0 h ILE 53 CO 0.09 0.82 -1.46 0.50 -0.69 0.00 0.00 178.15 177.41 1uw0 h LYS 54 N 0.08 0.00 -0.12 2.37 3.11 -1.96 -3.24 116.57 116.81 1uw0 h LYS 54 Ca -0.28 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.50 1uw0 h LYS 54 Cb 2.05 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 33.28 1uw0 h LYS 54 CO 0.17 0.38 -0.16 0.00 -2.81 0.00 0.00 179.45 177.03 1uw0 h MET 56 N -0.08 0.84 -0.01 0.00 1.85 -1.73 -2.72 114.93 113.08 1uw0 h MET 56 Ca 0.01 -0.39 -0.17 0.00 -0.61 0.00 0.00 59.70 58.54 1uw0 h MET 56 Cb 0.71 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.71 1uw0 h MET 56 CO 0.04 1.03 -0.78 0.74 -0.40 0.00 0.00 176.91 177.53 1uw0 h PHE 57 N 0.71 0.15 -0.53 1.39 0.04 -1.59 -3.11 116.94 114.01 1uw0 h PHE 57 Ca 0.08 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1uw0 h PHE 57 Cb 0.86 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.96 1uw0 h PHE 57 CO 0.05 0.84 0.20 1.49 -0.60 0.00 0.00 178.31 180.29 1uw0 h GLU 58 N 0.06 0.76 -0.98 1.51 4.57 -0.61 -2.34 114.58 117.56 1uw0 h GLU 58 Ca -0.02 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1uw0 h GLU 58 Cb 1.37 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.78 1uw0 h GLU 58 CO 0.11 0.64 0.63 -0.22 -1.18 0.00 0.00 179.01 178.99 1uw0 h LYS 59 N 0.76 1.30 -0.73 1.92 3.64 -1.41 -2.10 116.57 119.94 1uw0 h LYS 59 Ca 0.18 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1uw0 h LYS 59 Cb 0.17 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1uw0 h LYS 59 CO -0.02 0.87 0.43 -0.07 -2.27 0.00 0.00 179.45 178.40 1uw0 h LEU 60 N 1.33 0.88 -1.64 5.20 4.07 -1.48 -1.19 115.31 122.49 1uw0 h LEU 60 Ca 0.36 -0.07 0.11 0.00 0.08 0.00 0.00 57.88 58.35 1uw0 h LEU 60 Cb -0.13 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.35 1uw0 h LEU 60 CO -0.07 0.69 0.42 -0.08 -1.08 0.00 0.00 178.44 178.31 1uw0 h GLU 61 N 0.99 0.39 -0.85 1.13 4.81 -1.20 -0.05 114.58 119.81 1uw0 h GLU 61 Ca 0.26 -0.02 -0.43 0.00 -0.13 0.00 0.00 59.36 59.03 1uw0 h GLU 61 Cb -0.03 -0.09 -0.26 0.00 0.63 0.00 0.00 28.75 29.01 1uw0 h GLU 61 CO -0.05 0.26 0.49 0.54 -0.73 0.00 0.00 179.01 179.52 1uw0 n ARG 62 N -4.47 2.26 -4.00 1.92 1.74 -0.52 -4.98 116.66 108.61 1uw0 n ARG 62 Ca 0.10 -3.05 -0.24 0.00 -0.77 0.00 0.00 57.85 53.90 1uw0 n ARG 62 Cb 0.39 -2.11 -0.06 0.00 -1.02 0.00 0.00 32.46 29.66 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 -3.27 3.68 0.22 7.54 0.00 -0.03 -5.03 121.76 124.87 1uw0 s ALA 63 Ca 0.54 -2.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.32 1uw0 s ALA 63 Cb 0.46 -0.56 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 1uw0 s ALA 63 CO 0.09 -0.16 0.64 0.50 0.00 0.00 0.00 175.76 176.84 1uw0 s ARG 64 N -3.95 4.04 0.41 0.00 6.06 -1.26 -4.97 118.95 119.28 1uw0 s ARG 64 Ca 0.42 0.61 0.08 0.00 -2.50 0.00 0.00 55.73 54.35 1uw0 s ARG 64 Cb 0.02 -2.76 0.89 0.00 0.06 0.00 0.00 34.95 33.16 1uw0 s ARG 64 CO 0.24 0.35 2.04 0.00 -2.50 0.00 0.00 175.30 175.43 1uw0 h ALA 65 N 3.06 1.77 -0.98 6.12 0.00 -2.00 -2.37 119.26 124.86 1uw0 h ALA 65 Ca -0.48 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 54.64 1uw0 h ALA 65 Cb 1.18 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1uw0 h ALA 65 CO 0.66 0.18 0.64 1.15 0.00 0.00 0.00 179.25 181.88 1uw0 h THR 66 N 0.54 0.61 -3.33 0.00 2.02 -2.04 -3.37 112.91 107.34 1uw0 h THR 66 Ca 0.18 -0.14 -0.66 0.00 0.77 0.00 0.00 66.41 66.56 1uw0 h THR 66 Cb 0.07 0.16 -0.29 0.00 -1.74 0.00 0.00 68.15 66.35 1uw0 h THR 66 CO -0.05 0.08 -0.75 -0.89 0.37 0.00 0.00 175.52 174.28 1uw0 s THR 67 N -5.47 3.11 0.04 3.16 2.01 -0.89 -5.11 115.64 112.49 1uw0 s THR 67 Ca -0.09 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 61.41 1uw0 s THR 67 Cb 0.24 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1uw0 s THR 67 CO 0.79 0.46 -0.22 -0.75 -0.69 0.00 0.00 174.62 174.21 1uw0 s LYS 68 N 1.27 1.94 -0.02 4.92 2.20 -1.26 -4.57 119.74 124.22 1uw0 s LYS 68 Ca 0.03 -1.04 0.06 0.00 -0.36 0.00 0.00 55.97 54.66 1uw0 s LYS 68 Cb -0.14 -2.08 -0.01 0.00 -1.51 0.00 0.00 37.83 34.08 1uw0 s LYS 68 CO -0.04 0.53 -0.20 0.15 -0.36 0.00 0.00 175.35 175.43 1uw0 s LYS 69 N -1.31 1.67 -0.12 4.03 1.02 -1.26 -4.96 119.74 118.81 1uw0 s LYS 69 Ca 0.13 -0.71 -0.08 0.00 0.02 0.00 0.00 55.97 55.33 1uw0 s LYS 69 Cb -0.10 -1.59 0.03 0.00 -0.52 0.00 0.00 37.83 35.65 1uw0 s LYS 69 CO 0.03 0.41 0.16 -0.89 -0.92 0.00 0.00 175.35 174.15 1uw0 n ILE 70 N 2.65 -9.97 -4.50 2.17 5.41 -1.26 -5.00 119.36 108.86 1uw0 n ILE 70 Ca -0.15 2.15 -0.32 0.00 1.00 0.00 0.00 62.75 65.42 1uw0 n ILE 70 Cb 0.53 -5.45 -0.11 0.00 -0.71 0.00 0.00 39.64 33.91 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 -0.49 2.59 1.27 0.38 2.02 -1.26 -5.03 118.70 118.18 1uw0 s GLU 71 Ca -0.19 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1uw0 s GLU 71 Cb 0.01 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1uw0 s GLU 71 CO 0.51 0.61 0.00 -0.25 0.02 0.00 0.00 175.26 176.15 1uw0 n ASP 72 N 1.70 -4.21 -2.33 -0.19 9.92 -1.26 -4.12 116.55 116.05 1uw0 n ASP 72 Ca -0.16 0.08 -0.30 0.00 -0.53 0.00 0.00 54.79 53.88 1uw0 n ASP 72 Cb 0.53 -0.24 0.04 0.00 -0.64 0.00 0.00 41.12 40.80 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 6.07 0.00 0.64 7.94 -1.26 -5.01 117.00 125.38 1uw0 n LEU 73 Ca 0.00 -4.72 0.00 0.00 -1.11 0.00 0.00 56.01 50.18 1uw0 n LEU 73 Cb 0.03 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.33 1uw0 n LEU 73 CO 0.00 1.90 0.00 0.35 -1.11 0.00 0.00 177.39 178.53 1uw0 n THR 74 N -0.70 0.00 -3.55 1.96 -2.24 -1.26 -4.94 114.28 103.55 1uw0 n THR 74 Ca 0.50 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 62.02 1uw0 n THR 74 Cb 0.71 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1uw0 n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uw0 n GLU 75 N 0.00 -5.51 -3.88 -0.78 1.02 -1.26 -4.84 120.64 105.39 1uw0 n GLU 75 Ca 0.00 0.69 -0.11 0.00 -0.02 0.00 0.00 57.16 57.72 1uw0 n GLU 75 Cb 0.00 -5.58 -0.10 0.00 -0.02 0.00 0.00 31.44 25.74 1uw0 n GLU 75 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1uw0 s LEU 76 N -7.02 1.57 -0.53 -4.62 2.96 -1.26 -4.94 118.68 104.85 1uw0 s LEU 76 Ca 0.52 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 54.00 1uw0 s LEU 76 Cb -0.25 0.67 0.07 0.00 0.50 0.00 0.00 46.19 47.17 1uw0 s LEU 76 CO 0.65 -0.39 0.66 -0.70 -1.32 0.00 0.00 176.35 175.25 1uw0 s GLU 77 N -1.51 3.12 0.00 1.98 2.12 -1.15 -4.33 118.70 118.94 1uw0 s GLU 77 Ca -0.14 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.26 1uw0 s GLU 77 Cb -0.07 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.19 1uw0 s GLU 77 CO 0.01 -1.30 0.00 0.41 -0.54 0.00 0.00 175.26 173.84 1uw0 n GLY 78 N 5.19 2.96 0.34 -1.50 0.00 -1.26 -1.34 105.19 109.58 1uw0 n GLY 78 Ca -0.07 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 0.68 -0.66 1.61 5.08 -1.78 -1.74 115.95 119.15 1uw0 h TRP 79 Ca 0.00 0.02 0.10 0.00 1.08 0.00 0.00 58.89 60.09 1uw0 h TRP 79 Cb 0.00 -0.23 -0.04 0.00 -3.00 0.00 0.00 29.16 25.89 1uw0 h TRP 79 CO 0.00 0.40 0.44 1.49 -1.28 0.00 0.00 178.44 179.48 1uw0 h GLU 80 N 0.71 0.47 0.10 0.12 4.81 -1.94 -2.31 114.58 116.55 1uw0 h GLU 80 Ca 0.25 -0.03 -0.29 0.00 -0.13 0.00 0.00 59.36 59.16 1uw0 h GLU 80 Cb 0.11 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1uw0 h GLU 80 CO -0.07 0.31 -1.45 0.93 -0.73 0.00 0.00 179.01 178.00 1uw0 h GLU 81 N 0.49 0.22 -6.24 1.92 5.08 -1.73 -3.47 114.58 110.85 1uw0 h GLU 81 Ca 0.31 -0.38 -0.32 0.00 -1.00 0.00 0.00 59.36 57.97 1uw0 h GLU 81 Cb 0.54 0.14 0.17 0.00 0.50 0.00 0.00 28.75 30.11 1uw0 h GLU 81 CO -0.09 1.09 -0.74 -0.11 -1.00 0.00 0.00 179.01 178.15 1uw0 n LEU 82 N -3.43 -1.81 -4.93 1.33 7.94 -0.87 -5.00 117.00 110.23 1uw0 n LEU 82 Ca -0.14 -0.28 -0.21 0.00 -1.11 0.00 0.00 56.01 54.28 1uw0 n LEU 82 Cb 1.03 -0.80 -0.02 0.00 0.53 0.00 0.00 43.42 44.16 1uw0 n LEU 82 CO 0.50 -3.13 -0.05 -1.61 -1.11 0.00 0.00 177.39 171.99 1uw0 s GLU 83 N -3.34 3.20 0.18 1.96 0.41 -1.26 -4.91 118.70 114.93 1uw0 s GLU 83 Ca 0.42 -0.92 -0.14 0.00 -0.41 0.00 0.00 54.97 53.93 1uw0 s GLU 83 Cb -0.06 -2.77 0.10 0.00 -1.78 0.00 0.00 34.13 29.62 1uw0 s GLU 83 CO 0.47 0.31 1.81 -0.44 -0.49 0.00 0.00 175.26 176.92 1uw0 h ASP 84 N 1.18 0.48 0.16 -0.19 3.32 -1.95 0.84 116.42 120.27 1uw0 h ASP 84 Ca -0.49 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1uw0 h ASP 84 Cb 1.24 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1uw0 h ASP 84 CO 0.59 0.34 -0.08 -1.13 -1.72 0.00 0.00 179.24 177.24 1uw0 h ASN 85 N 0.60 -0.19 -0.71 6.45 -0.73 -2.00 0.48 115.58 119.48 1uw0 h ASN 85 Ca 0.21 -0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.27 1uw0 h ASN 85 Cb 0.03 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 1uw0 h ASN 85 CO -0.10 -0.06 0.25 -0.33 -0.37 0.00 0.00 177.43 176.81 1uw0 h GLU 86 N -0.30 1.11 -0.88 6.67 5.08 -1.91 -2.39 114.58 121.96 1uw0 h GLU 86 Ca -0.02 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1uw0 h GLU 86 Cb 0.23 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1uw0 h GLU 86 CO 0.04 0.93 0.59 -0.22 -1.00 0.00 0.00 179.01 179.34 1uw0 h LYS 87 N 1.07 1.16 -0.93 2.33 3.64 0.11 -2.03 116.57 121.93 1uw0 h LYS 87 Ca 0.24 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1uw0 h LYS 87 Cb 0.27 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1uw0 h LYS 87 CO -0.01 0.77 0.59 1.49 -2.27 0.00 0.00 179.45 180.02 1uw0 h GLU 88 N 1.20 1.23 -0.91 1.90 4.22 -0.38 -2.29 114.58 119.54 1uw0 h GLU 88 Ca 0.32 -0.09 0.01 0.00 0.08 0.00 0.00 59.36 59.69 1uw0 h GLU 88 Cb -0.13 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 28.80 1uw0 h GLU 88 CO -0.07 0.83 0.61 0.37 -2.18 0.00 0.00 179.01 178.57 1uw0 h GLN 89 N 1.26 1.19 -0.85 1.92 4.15 -1.22 -2.15 115.11 119.42 1uw0 h GLN 89 Ca 0.34 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1uw0 h GLN 89 Cb -0.11 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 27.27 1uw0 h GLN 89 CO -0.07 0.79 0.42 0.82 -1.93 0.00 0.00 178.83 178.86 1uw0 h ILE 90 N 1.23 1.26 -0.98 2.39 2.04 -1.29 -2.41 117.51 119.75 1uw0 h ILE 90 Ca 0.34 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.53 1uw0 h ILE 90 Cb -0.13 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.06 1uw0 h ILE 90 CO -0.08 0.31 0.64 0.74 0.00 0.00 0.00 178.15 179.76 1uw0 h THR 91 N 1.20 1.13 -0.94 -0.27 2.02 -1.11 -1.46 112.91 113.48 1uw0 h THR 91 Ca 0.29 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1uw0 h THR 91 Cb 0.11 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.30 1uw0 h THR 91 CO -0.04 0.22 0.62 1.56 0.37 0.00 0.00 175.52 178.25 1uw0 h GLN 92 N 1.20 1.16 0.21 6.66 4.20 -1.16 -0.01 115.11 127.36 1uw0 h GLN 92 Ca 0.40 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1uw0 h GLN 92 Cb 0.07 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1uw0 h GLN 92 CO -0.14 0.77 -0.10 0.45 -0.67 0.00 0.00 178.83 179.14 1uw0 h HIS 93 N 1.19 -0.26 -0.76 2.96 3.86 -1.17 0.22 115.15 121.19 1uw0 h HIS 93 Ca 0.37 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.54 1uw0 h HIS 93 Cb 0.00 0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 1uw0 h HIS 93 CO -0.00 -0.16 0.33 0.82 0.86 0.00 0.00 177.93 179.78 1uw0 h ILE 94 N -0.28 1.25 -0.71 2.45 2.04 -1.27 0.27 117.51 121.26 1uw0 h ILE 94 Ca -0.03 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1uw0 h ILE 94 Cb 0.21 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1uw0 h ILE 94 CO 0.05 0.31 0.18 0.00 0.00 0.00 0.00 178.15 178.69 1uw0 h ALA 95 N 1.27 0.98 -0.20 1.87 0.00 -0.63 0.24 119.26 122.79 1uw0 h ALA 95 Ca 0.26 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1uw0 h ALA 95 Cb 0.16 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1uw0 h ALA 95 CO -0.03 0.66 -0.70 -0.44 0.00 0.00 0.00 179.25 178.75 1uw0 h ASP 96 N 1.07 0.94 0.19 0.00 5.19 -0.05 0.84 116.42 124.61 1uw0 h ASP 96 Ca 0.22 -0.58 -0.10 0.00 -0.62 0.00 0.00 57.03 55.96 1uw0 h ASP 96 Cb 0.36 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1uw0 h ASP 96 CO 0.00 1.38 -0.38 0.25 -3.12 0.00 0.00 179.24 177.37 1uw0 h LEU 97 N 0.58 0.27 0.09 1.55 5.85 -0.23 -3.29 115.31 120.13 1uw0 h LEU 97 Ca -0.03 -0.11 -0.37 0.00 0.84 0.00 0.00 57.88 58.22 1uw0 h LEU 97 Cb 1.32 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1uw0 h LEU 97 CO 0.15 0.63 -2.09 -0.24 -0.34 0.00 0.00 178.44 176.54 1uw0 n SER 98 N -4.05 2.08 -4.40 1.25 2.88 0.82 -4.94 113.62 107.26 1uw0 n SER 98 Ca -0.01 0.14 -0.20 0.00 -1.33 0.00 0.00 58.87 57.46 1uw0 n SER 98 Cb 0.46 -0.76 -0.10 0.00 -0.75 0.00 0.00 64.21 63.06 1uw0 n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uw0 s SER 99 N -6.92 2.33 -0.17 -3.46 0.15 0.29 -5.07 113.70 100.86 1uw0 s SER 99 Ca -0.26 -1.25 -0.04 0.00 0.70 0.00 0.00 55.95 55.09 1uw0 s SER 99 Cb 0.07 -0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.36 1uw0 s SER 99 CO 0.72 -0.48 0.08 -0.75 1.20 0.00 0.00 173.24 174.01 1uw0 s LYS 100 N -3.82 0.18 0.30 5.44 2.20 -1.26 -3.60 119.74 119.18 1uw0 s LYS 100 Ca 0.31 -0.14 0.11 0.00 -0.36 0.00 0.00 55.97 55.89 1uw0 s LYS 100 Cb 0.06 -1.86 -0.05 0.00 -1.51 0.00 0.00 37.83 34.46 1uw0 s LYS 100 CO 0.12 -0.66 -0.16 0.00 -0.36 0.00 0.00 175.35 174.29 1uw0 s ALA 101 N 2.08 2.84 0.01 3.13 0.00 -1.26 -5.15 121.76 123.41 1uw0 s ALA 101 Ca 0.01 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.06 1uw0 s ALA 101 Cb -0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1uw0 s ALA 101 CO -0.09 0.22 -0.03 0.00 0.00 0.00 0.00 175.76 175.86 1uw0 s ALA 102 N -2.52 0.23 0.00 0.00 0.00 -1.26 -5.16 121.76 113.05 1uw0 s ALA 102 Ca 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1uw0 s ALA 102 Cb -0.03 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1uw0 s ALA 102 CO 0.16 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1uw0 n GLY 103 N 2.34 6.66 3.28 0.00 0.00 -1.26 -5.17 105.19 111.04 1uw0 n GLY 103 Ca -0.18 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 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 0.31 1.69 0.06 2.61 -4.23 -1.26 -5.05 115.64 109.77 1uw0 s THR 104 Ca 0.00 -1.48 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 1uw0 s THR 104 Cb 0.00 -1.53 -0.16 0.00 1.34 0.00 0.00 72.50 72.15 1uw0 s THR 104 CO 0.00 -0.02 1.27 1.55 -0.54 0.00 0.00 174.62 176.88 1uw0 h PRO 105 N 4.21 0.57 -4.60 3.99 0.13 -2.09 -3.47 132.00 130.74 1uw0 h PRO 105 Ca -0.45 -0.43 -0.26 0.00 -0.87 0.00 0.00 66.00 63.99 1uw0 h PRO 105 Cb 1.18 0.08 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1uw0 h PRO 105 CO 0.40 1.05 -0.60 0.15 -0.23 0.00 0.00 178.00 178.77 1uw0 s LYS 106 N -3.81 1.25 0.04 0.86 -0.14 -1.26 -5.11 119.74 111.57 1uw0 s LYS 106 Ca -0.12 -1.66 -0.01 0.00 -1.36 0.00 0.00 55.97 52.82 1uw0 s LYS 106 Cb 0.06 0.28 -0.00 0.00 -1.68 0.00 0.00 37.83 36.49 1uw0 s LYS 106 CO 0.83 -0.42 -0.03 1.63 -0.76 0.00 0.00 175.35 176.61 1uw0 n LYS 107 N -0.30 0.04 -3.52 1.68 4.01 -1.26 -4.92 118.16 113.89 1uw0 n LYS 107 Ca 0.02 0.02 -0.30 0.00 -0.51 0.00 0.00 58.31 57.54 1uw0 n LYS 107 Cb 0.66 -0.41 -0.08 0.00 -0.51 0.00 0.00 35.03 34.68 1uw0 n LYS 107 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1uw0 n LYS 108 N -3.21 2.57 -4.56 1.97 5.02 -1.26 -5.07 118.16 113.63 1uw0 n LYS 108 Ca -0.01 -4.60 -0.27 0.00 -2.02 0.00 0.00 58.31 51.41 1uw0 n LYS 108 Cb 0.04 -2.31 -0.11 0.00 -0.02 0.00 0.00 35.03 32.64 1uw0 n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uw0 s ALA 109 N -2.17 3.09 -0.11 7.82 0.00 -1.26 -5.14 121.76 124.00 1uw0 s ALA 109 Ca 0.34 -2.19 0.01 0.00 0.00 0.00 0.00 51.96 50.12 1uw0 s ALA 109 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1uw0 s ALA 109 CO -0.05 -0.02 -0.14 0.08 0.00 0.00 0.00 175.76 175.63 1uw0 s VAL 110 N -2.65 3.04 0.01 0.00 1.01 -1.26 -5.12 120.40 115.43 1uw0 s VAL 110 Ca 0.34 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1uw0 s VAL 110 Cb 0.06 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1uw0 s VAL 110 CO 0.18 0.54 -0.06 0.54 0.00 0.00 0.00 175.10 176.30 1uw0 s VAL 111 N 0.05 0.45 -0.13 2.92 0.11 -1.26 -5.15 120.40 117.39 1uw0 s VAL 111 Ca -0.05 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 1uw0 s VAL 111 Cb -0.14 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 1uw0 s VAL 111 CO 0.04 -0.05 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.46 1uw0 s GLN 112 N -0.60 3.10 -0.35 1.54 -0.21 -1.26 -5.09 119.66 116.79 1uw0 s GLN 112 Ca -0.02 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.55 1uw0 s GLN 112 Cb -0.05 -2.45 0.10 0.00 1.00 0.00 0.00 33.01 31.61 1uw0 s GLN 112 CO -0.00 0.07 0.08 0.00 -2.12 0.00 0.00 175.29 173.32 1uw0 s ALA 113 N 0.64 2.94 -0.06 6.09 0.00 -1.26 -5.09 121.76 125.02 1uw0 s ALA 113 Ca -0.10 -2.42 0.05 0.00 0.00 0.00 0.00 51.96 49.48 1uw0 s ALA 113 Cb -0.16 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 1uw0 s ALA 113 CO 0.02 -1.65 -0.20 0.21 0.00 0.00 0.00 175.76 174.14 1uw0 s LYS 114 N 1.01 2.55 0.18 0.00 2.20 -1.26 -5.13 119.74 119.29 1uw0 s LYS 114 Ca 0.07 -0.81 0.11 0.00 -0.36 0.00 0.00 55.97 54.99 1uw0 s LYS 114 Cb -0.20 -2.27 -0.04 0.00 -1.51 0.00 0.00 37.83 33.80 1uw0 s LYS 114 CO -0.06 0.48 -0.24 -1.17 -0.36 0.00 0.00 175.35 174.00 1uw0 s LEU 115 N -0.39 2.42 -0.07 5.43 2.96 -1.26 -5.14 118.68 122.63 1uw0 s LEU 115 Ca 0.04 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.13 1uw0 s LEU 115 Cb -0.12 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 1uw0 s LEU 115 CO 0.02 0.13 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.13 1uw0 s THR 116 N -1.57 2.85 0.00 3.68 2.01 -1.26 -5.37 115.64 115.98 1uw0 s THR 116 Ca 0.20 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1uw0 s THR 116 Cb -0.08 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.30 1uw0 s THR 116 CO 0.09 0.57 0.16 1.07 -0.69 0.00 0.00 174.62 175.82