#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 5.24 0.01 3.04 0.00 -1.26 -4.76 120.51 122.77 1uw0 n ALA 2 Ca 0.00 -4.13 -0.03 0.00 0.00 0.00 0.00 53.44 49.28 1uw0 n ALA 2 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1uw0 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uw0 n GLU 3 N -0.57 0.10 -3.92 0.00 1.02 -1.26 -4.85 120.64 111.17 1uw0 n GLU 3 Ca 0.43 0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 57.46 1uw0 n GLU 3 Cb 0.71 -0.68 -0.15 0.00 -0.02 0.00 0.00 31.44 31.30 1uw0 n GLU 3 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1uw0 s GLN 4 N -2.14 0.16 0.04 3.49 -0.21 -1.26 -4.24 119.66 115.50 1uw0 s GLN 4 Ca -0.06 0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.37 1uw0 s GLN 4 Cb 0.01 -0.28 -0.02 0.00 1.00 0.00 0.00 33.01 33.73 1uw0 s GLN 4 CO 0.08 -0.06 -0.07 1.03 -2.12 0.00 0.00 175.29 174.15 1uw0 s ARG 5 N 0.54 0.48 0.12 2.91 0.52 -0.98 -4.96 118.95 117.59 1uw0 s ARG 5 Ca -0.05 -0.71 0.11 0.00 -0.52 0.00 0.00 55.73 54.56 1uw0 s ARG 5 Cb -0.08 -0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.13 1uw0 s ARG 5 CO -0.01 0.03 -0.26 -0.06 0.02 0.00 0.00 175.30 175.02 1uw0 s PHE 6 N -1.35 2.25 -0.04 -0.53 0.08 -1.26 0.10 117.98 117.23 1uw0 s PHE 6 Ca -0.11 -0.38 -0.00 0.00 0.12 0.00 0.00 56.93 56.56 1uw0 s PHE 6 Cb -0.10 -1.23 0.03 0.00 -0.57 0.00 0.00 43.02 41.15 1uw0 s PHE 6 CO 0.00 0.32 0.00 0.00 -0.10 0.00 0.00 175.22 175.44 1uw0 s VAL 8 N 1.39 4.82 0.26 0.00 -7.23 -0.85 0.10 120.40 118.89 1uw0 s VAL 8 Ca -0.04 -1.11 0.11 0.00 -1.81 0.00 0.00 61.98 59.13 1uw0 s VAL 8 Cb -0.13 -3.86 -0.05 0.00 0.56 0.00 0.00 36.38 32.91 1uw0 s VAL 8 CO -0.03 -0.48 -0.16 -1.81 -0.31 0.00 0.00 175.10 172.31 1uw0 s ASP 9 N 2.21 3.80 -0.03 4.85 1.01 -0.18 -3.93 116.67 124.40 1uw0 s ASP 9 Ca 0.03 -0.91 -0.03 0.00 0.71 0.00 0.00 52.55 52.36 1uw0 s ASP 9 Cb -0.23 -0.43 -0.04 0.00 1.01 0.00 0.00 42.92 43.24 1uw0 s ASP 9 CO 0.05 0.05 0.13 -0.31 0.21 0.00 0.00 175.17 175.30 1uw0 s TYR 10 N -2.32 3.46 -0.44 4.23 2.02 -1.26 -0.61 117.35 122.43 1uw0 s TYR 10 Ca 0.29 0.34 -0.26 0.00 -0.37 0.00 0.00 57.07 57.06 1uw0 s TYR 10 Cb -0.06 -1.82 -0.07 0.00 -0.40 0.00 0.00 41.96 39.61 1uw0 s TYR 10 CO 0.15 0.63 2.38 0.00 -1.57 0.00 0.00 175.55 177.14 1uw0 n ALA 11 N 1.28 0.99 -4.00 3.71 0.00 -0.01 -4.92 120.51 117.57 1uw0 n ALA 11 Ca -0.14 -0.81 -0.31 0.00 0.00 0.00 0.00 53.44 52.19 1uw0 n ALA 11 Cb 0.53 -3.16 -0.15 0.00 0.00 0.00 0.00 19.45 16.67 1uw0 n ALA 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1uw0 s LYS 12 N 7.91 1.92 -0.24 0.00 2.20 -1.26 -3.33 119.74 126.94 1uw0 s LYS 12 Ca 0.99 -1.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.47 1uw0 s LYS 12 Cb -0.21 -2.67 0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1uw0 s LYS 12 CO 0.28 -0.56 0.09 0.54 -0.36 0.00 0.00 175.35 175.34 1uw0 n ARG 13 N 4.59 -2.36 0.00 4.03 1.74 -1.26 -5.01 116.66 118.40 1uw0 n ARG 13 Ca -0.13 2.06 0.00 0.00 -0.77 0.00 0.00 57.85 59.01 1uw0 n ARG 13 Cb 0.44 -3.93 0.00 0.00 -1.02 0.00 0.00 32.46 27.95 1uw0 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uw0 n GLY 14 N 0.74 4.35 3.10 -0.13 0.00 -1.26 -5.12 105.19 106.86 1uw0 n GLY 14 Ca 0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.14 1.05 -0.08 2.61 -4.23 -1.26 -4.64 115.64 108.95 1uw0 s THR 15 Ca 0.00 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.61 1uw0 s THR 15 Cb 0.00 -0.88 0.07 0.00 1.34 0.00 0.00 72.50 73.02 1uw0 s THR 15 CO 0.00 0.26 0.65 0.00 -0.54 0.00 0.00 174.62 174.99 1uw0 s ALA 16 N -0.37 -1.68 0.06 3.99 0.00 -1.21 -4.94 121.76 117.62 1uw0 s ALA 16 Ca 0.05 1.32 -0.34 0.00 0.00 0.00 0.00 51.96 52.99 1uw0 s ALA 16 Cb -0.05 -0.15 -0.13 0.00 0.00 0.00 0.00 23.12 22.78 1uw0 s ALA 16 CO -0.00 -0.35 1.68 0.41 0.00 0.00 0.00 175.76 177.50 1uw0 n GLY 17 N 1.19 1.23 3.70 0.00 0.00 -1.26 -1.42 105.19 108.62 1uw0 n GLY 17 Ca -0.18 0.73 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 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 2.27 3.29 -0.74 0.00 1.02 0.30 -3.39 119.74 122.49 1uw0 s LYS 19 Ca 0.74 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.79 1uw0 s LYS 19 Cb -0.41 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1uw0 s LYS 19 CO 0.32 -0.82 0.00 1.17 -0.92 0.00 0.00 175.35 175.10 1uw0 n LYS 20 N -2.37 -1.13 -3.62 1.68 3.00 -1.26 -3.86 118.16 110.59 1uw0 n LYS 20 Ca 0.08 0.66 -0.05 0.00 -0.00 0.00 0.00 58.31 59.00 1uw0 n LYS 20 Cb 0.53 -4.70 -0.04 0.00 0.00 0.00 0.00 35.03 30.83 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 -1.24 3.57 0.09 0.00 2.20 -1.26 -4.46 119.74 118.64 1uw0 s LYS 22 Ca 0.06 -1.53 -0.11 0.00 -0.36 0.00 0.00 55.97 54.03 1uw0 s LYS 22 Cb -0.01 -5.01 0.04 0.00 -1.51 0.00 0.00 37.83 31.34 1uw0 s LYS 22 CO -0.05 -1.90 0.54 -1.91 -0.36 0.00 0.00 175.35 171.67 1uw0 n GLU 23 N 7.29 0.33 -4.25 4.03 2.13 -1.26 -5.02 120.64 123.89 1uw0 n GLU 23 Ca 0.25 -0.75 -0.19 0.00 0.66 0.00 0.00 57.16 57.12 1uw0 n GLU 23 Cb 0.49 1.03 -0.11 0.00 0.27 0.00 0.00 31.44 33.12 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 -2.03 1.05 -0.35 5.31 3.01 -1.26 -0.10 119.74 125.37 1uw0 s LYS 24 Ca 0.12 -1.22 -0.09 0.00 -1.01 0.00 0.00 55.97 53.77 1uw0 s LYS 24 Cb -0.01 -1.02 0.02 0.00 -1.01 0.00 0.00 37.83 35.81 1uw0 s LYS 24 CO 0.03 0.21 0.16 0.42 0.51 0.00 0.00 175.35 176.67 1uw0 s ILE 25 N -1.90 4.29 0.25 2.17 1.01 -0.51 -4.73 121.20 121.78 1uw0 s ILE 25 Ca 0.08 -0.87 0.10 0.00 0.00 0.00 0.00 60.65 59.96 1uw0 s ILE 25 Cb -0.06 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1uw0 s ILE 25 CO 0.04 -0.15 -0.05 -0.69 0.00 0.00 0.00 174.94 174.09 1uw0 s VAL 26 N 1.51 3.27 0.17 2.92 1.01 -1.26 -3.33 120.40 124.69 1uw0 s VAL 26 Ca 0.01 -1.93 -0.33 0.00 0.00 0.00 0.00 61.98 59.73 1uw0 s VAL 26 Cb -0.19 -2.72 -0.15 0.00 0.00 0.00 0.00 36.38 33.32 1uw0 s VAL 26 CO 0.05 -0.33 1.28 2.29 0.00 0.00 0.00 175.10 178.39 1uw0 n LYS 27 N -0.68 1.40 0.00 2.72 -0.00 -1.26 -2.82 118.16 117.52 1uw0 n LYS 27 Ca -0.07 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1uw0 n LYS 27 Cb 0.58 -2.08 0.00 0.00 -0.00 0.00 0.00 35.03 33.54 1uw0 n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uw0 n GLY 28 N 2.26 0.94 3.12 2.58 0.00 -1.21 -5.02 105.19 107.85 1uw0 n GLY 28 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 1.32 0.11 1.61 0.11 -1.13 -4.97 120.40 115.45 1uw0 s VAL 29 Ca 0.00 -0.66 -0.21 0.00 -2.93 0.00 0.00 61.98 58.18 1uw0 s VAL 29 Cb 0.00 -1.14 -0.07 0.00 -1.53 0.00 0.00 36.38 33.64 1uw0 s VAL 29 CO 0.00 0.38 0.63 0.00 -3.33 0.00 0.00 175.10 172.79 1uw0 s ARG 31 N -1.23 0.55 -0.22 0.00 1.70 0.22 -4.11 118.95 115.86 1uw0 s ARG 31 Ca 0.32 -0.47 -0.05 0.00 -0.47 0.00 0.00 55.73 55.06 1uw0 s ARG 31 Cb -0.20 -0.45 -0.02 0.00 -0.57 0.00 0.00 34.95 33.71 1uw0 s ARG 31 CO 0.21 0.11 0.00 0.42 -1.08 0.00 0.00 175.30 174.97 1uw0 s ILE 32 N -0.67 3.89 0.29 4.99 1.01 -0.91 -1.01 121.20 128.79 1uw0 s ILE 32 Ca -0.02 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1uw0 s ILE 32 Cb -0.06 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1uw0 s ILE 32 CO 0.00 0.41 0.29 -0.83 0.00 0.00 0.00 174.94 174.81 1uw0 s GLY 33 N 1.25 1.53 -0.00 6.18 0.00 0.28 -3.55 107.32 113.00 1uw0 s GLY 33 Ca 0.04 -1.47 0.05 0.00 0.00 0.00 0.00 44.72 43.33 1uw0 s GLY 33 CO 0.01 -1.45 -0.16 -1.59 0.00 0.00 0.00 173.10 169.91 1uw0 s LYS 34 N -3.96 1.25 -0.35 2.90 -2.85 -1.24 0.10 119.74 115.60 1uw0 s LYS 34 Ca 0.37 -0.61 -0.07 0.00 -1.00 0.00 0.00 55.97 54.67 1uw0 s LYS 34 Cb -0.08 -1.23 0.05 0.00 -2.06 0.00 0.00 37.83 34.51 1uw0 s LYS 34 CO 0.27 0.33 0.12 0.08 0.10 0.00 0.00 175.35 176.26 1uw0 s VAL 35 N -0.45 3.82 -0.23 1.79 1.01 0.29 -3.61 120.40 123.01 1uw0 s VAL 35 Ca 0.06 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1uw0 s VAL 35 Cb -0.06 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1uw0 s VAL 35 CO -0.00 -0.23 -0.12 -0.69 0.00 0.00 0.00 175.10 174.06 1uw0 s VAL 36 N 1.40 2.02 0.23 2.92 1.01 -1.16 -2.32 120.40 124.49 1uw0 s VAL 36 Ca -0.01 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 1uw0 s VAL 36 Cb -0.20 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 1uw0 s VAL 36 CO 0.03 0.10 1.17 -2.16 0.00 0.00 0.00 175.10 174.24 1uw0 s PRO 37 N 1.21 4.54 -0.29 2.72 0.04 -1.26 -3.61 135.00 138.34 1uw0 s PRO 37 Ca -0.05 1.87 -0.09 0.00 0.04 0.00 0.00 61.00 62.77 1uw0 s PRO 37 Cb -0.18 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 1uw0 s PRO 37 CO -0.07 0.01 0.14 -0.80 0.04 0.00 0.00 177.00 176.32 1uw0 s ASN 38 N -0.27 5.54 -1.07 6.66 -0.87 -1.26 -5.00 114.94 118.67 1uw0 s ASN 38 Ca 0.49 -0.31 -0.19 0.00 -1.57 0.00 0.00 52.86 51.28 1uw0 s ASN 38 Cb -0.33 -2.01 -0.07 0.00 -0.02 0.00 0.00 41.25 38.82 1uw0 s ASN 38 CO 0.39 -0.11 2.01 -0.81 -2.57 0.00 0.00 177.10 176.01 1uw0 n PRO 39 N 4.99 2.06 0.16 -0.60 -0.04 -1.26 -4.07 135.00 136.24 1uw0 n PRO 39 Ca -0.15 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1uw0 n PRO 39 Cb 0.50 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 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 7.81 -3.10 -4.14 0.54 -0.00 -1.26 -5.13 117.46 112.18 1uw0 n PHE 40 Ca 0.50 0.78 -0.24 0.00 -0.00 0.00 0.00 57.45 58.49 1uw0 n PHE 40 Cb 0.41 1.67 -0.06 0.00 -0.00 0.00 0.00 39.48 41.50 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 -3.99 5.28 -0.18 -2.13 0.01 -1.26 -5.05 113.70 106.37 1uw0 s SER 41 Ca 0.00 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 56.97 1uw0 s SER 41 Cb 0.00 -1.28 -0.22 0.00 0.21 0.00 0.00 66.02 64.73 1uw0 s SER 41 CO 0.00 0.02 0.09 -0.62 0.41 0.00 0.00 173.24 173.14 1uw0 n GLU 42 N -0.73 0.70 -0.36 12.44 -0.58 -1.26 -4.32 120.64 126.53 1uw0 n GLU 42 Ca -0.08 0.20 0.04 0.00 -0.42 0.00 0.00 57.16 56.90 1uw0 n GLU 42 Cb 0.57 -1.62 0.20 0.00 -0.57 0.00 0.00 31.44 30.02 1uw0 n GLU 42 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1uw0 h SER 43 N 0.03 0.99 -2.73 1.62 0.87 -2.01 -3.35 113.55 108.98 1uw0 h SER 43 Ca -0.50 0.02 -0.60 0.00 -1.23 0.00 0.00 61.79 59.48 1uw0 h SER 43 Cb 1.98 -0.19 -0.12 0.00 -0.44 0.00 0.00 62.40 63.63 1uw0 h SER 43 CO 0.00 0.61 0.66 -0.83 -0.53 0.00 0.00 176.83 176.75 1uw0 s GLY 44 N -3.37 1.27 0.00 5.77 0.00 -1.26 -4.94 107.32 104.79 1uw0 s GLY 44 Ca -0.12 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1uw0 s GLY 44 CO 0.81 2.19 0.20 0.61 0.00 0.00 0.00 173.10 176.91 1uw0 n GLY 45 N 5.28 -0.14 3.24 0.20 0.00 -1.26 -4.75 105.19 107.76 1uw0 n GLY 45 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.41 2.24 -0.09 1.61 1.11 -1.26 -4.07 116.67 114.80 1uw0 s ASP 46 Ca 0.00 -0.65 0.02 0.00 0.18 0.00 0.00 52.55 52.10 1uw0 s ASP 46 Cb 0.00 -0.11 -0.02 0.00 1.07 0.00 0.00 42.92 43.86 1uw0 s ASP 46 CO 0.00 0.02 -0.13 -0.04 1.18 0.00 0.00 175.17 176.20 1uw0 s MET 47 N -1.80 2.93 -0.05 8.23 -1.94 -1.24 -4.96 119.30 120.47 1uw0 s MET 47 Ca 0.04 -0.68 0.06 0.00 -1.71 0.00 0.00 55.69 53.39 1uw0 s MET 47 Cb -0.10 -2.51 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 1uw0 s MET 47 CO 0.03 0.44 -0.23 0.21 -0.01 0.00 0.00 175.02 175.47 1uw0 s LYS 48 N -0.24 2.32 0.03 2.03 2.20 -1.26 -2.97 119.74 121.86 1uw0 s LYS 48 Ca 0.01 -0.82 0.05 0.00 -0.36 0.00 0.00 55.97 54.85 1uw0 s LYS 48 Cb -0.13 -1.98 -0.03 0.00 -1.51 0.00 0.00 37.83 34.17 1uw0 s LYS 48 CO 0.03 0.34 -0.11 -1.21 -0.36 0.00 0.00 175.35 174.04 1uw0 s GLU 49 N -0.11 2.33 -0.35 4.03 2.02 -1.24 -4.92 118.70 120.45 1uw0 s GLU 49 Ca -0.03 -0.85 -0.11 0.00 0.02 0.00 0.00 54.97 53.99 1uw0 s GLU 49 Cb -0.13 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.75 1uw0 s GLU 49 CO 0.03 0.57 0.19 -1.58 0.02 0.00 0.00 175.26 174.49 1uw0 s TRP 50 N -1.00 3.22 0.41 1.61 0.23 -1.26 -3.60 118.94 118.55 1uw0 s TRP 50 Ca 0.17 -0.79 0.04 0.00 -2.03 0.00 0.00 56.10 53.48 1uw0 s TRP 50 Cb -0.11 -2.42 -0.05 0.00 0.03 0.00 0.00 33.47 30.93 1uw0 s TRP 50 CO 0.07 -0.57 0.04 1.52 0.96 0.00 0.00 176.95 178.98 1uw0 s TYR 51 N 1.58 2.06 0.69 -1.98 1.13 -1.23 0.11 117.35 119.71 1uw0 s TYR 51 Ca 0.03 -0.94 0.01 0.00 -1.41 0.00 0.00 57.07 54.76 1uw0 s TYR 51 Cb -0.18 -1.48 0.12 0.00 -1.10 0.00 0.00 41.96 39.31 1uw0 s TYR 51 CO 0.07 0.13 0.95 -1.01 -2.51 0.00 0.00 175.55 173.18 1uw0 s HIS 52 N -3.01 1.59 -0.09 -3.49 3.76 -1.26 -2.14 115.29 110.65 1uw0 s HIS 52 Ca 0.26 -0.35 -0.17 0.00 -0.15 0.00 0.00 55.06 54.64 1uw0 s HIS 52 Cb 0.06 -2.84 -0.14 0.00 1.11 0.00 0.00 32.58 30.77 1uw0 s HIS 52 CO 0.13 -1.59 0.57 0.82 -0.85 0.00 0.00 174.74 173.82 1uw0 h ILE 53 N -0.38 0.87 -0.86 0.60 2.04 -1.96 -2.16 117.51 115.66 1uw0 h ILE 53 Ca -0.35 -1.46 0.06 0.00 1.00 0.00 0.00 64.86 64.11 1uw0 h ILE 53 Cb 1.27 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.88 1uw0 h ILE 53 CO 0.41 0.27 0.56 0.50 0.00 0.00 0.00 178.15 179.89 1uw0 h LYS 54 N -0.95 0.93 0.01 2.37 3.64 -1.96 1.01 116.57 121.62 1uw0 h LYS 54 Ca -0.01 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1uw0 h LYS 54 Cb 0.52 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1uw0 h LYS 54 CO 0.02 0.62 -0.01 0.00 -2.27 0.00 0.00 179.45 177.81 1uw0 h MET 56 N -0.13 0.48 0.00 0.00 4.05 -0.69 -2.94 114.93 115.69 1uw0 h MET 56 Ca -0.00 -0.27 -0.04 0.00 -0.28 0.00 0.00 59.70 59.10 1uw0 h MET 56 Cb 0.13 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1uw0 h MET 56 CO 0.00 0.86 -0.21 0.74 0.23 0.00 0.00 176.91 178.53 1uw0 h PHE 57 N 0.13 0.00 -0.69 1.39 0.04 0.11 -1.69 116.94 116.22 1uw0 h PHE 57 Ca 0.02 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1uw0 h PHE 57 Cb 0.80 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.92 1uw0 h PHE 57 CO 0.09 0.21 0.34 0.93 -0.60 0.00 0.00 178.31 179.28 1uw0 h GLU 58 N 0.00 0.99 -0.32 1.51 5.08 0.87 0.24 114.58 122.95 1uw0 h GLU 58 Ca -0.00 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 1uw0 h GLU 58 Cb 0.39 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1uw0 h GLU 58 CO 0.03 0.77 -0.41 0.87 -1.00 0.00 0.00 179.01 179.26 1uw0 h LYS 59 N 0.96 0.85 -0.80 2.33 6.56 -1.33 -2.64 116.57 122.50 1uw0 h LYS 59 Ca 0.24 -0.48 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 1uw0 h LYS 59 Cb 0.10 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.76 1uw0 h LYS 59 CO -0.03 1.12 0.51 -0.07 -2.06 0.00 0.00 179.45 178.92 1uw0 h LEU 60 N 0.63 0.94 -1.49 2.94 4.07 -0.89 0.13 115.31 121.64 1uw0 h LEU 60 Ca 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1uw0 h LEU 60 Cb 1.01 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.49 1uw0 h LEU 60 CO 0.10 0.70 0.33 -0.08 -1.08 0.00 0.00 178.44 178.41 1uw0 h GLU 61 N 1.09 0.68 -0.70 1.13 4.81 -0.41 -2.07 114.58 119.10 1uw0 h GLU 61 Ca 0.29 -0.04 -0.39 0.00 -0.13 0.00 0.00 59.36 59.09 1uw0 h GLU 61 Cb -0.09 -0.15 -0.23 0.00 0.63 0.00 0.00 28.75 28.92 1uw0 h GLU 61 CO -0.06 0.45 0.28 0.54 -0.73 0.00 0.00 179.01 179.49 1uw0 n ARG 62 N -4.45 2.18 -3.74 1.92 5.12 -0.51 -5.00 116.66 112.17 1uw0 n ARG 62 Ca 0.05 -3.19 -0.21 0.00 -1.93 0.00 0.00 57.85 52.57 1uw0 n ARG 62 Cb 0.05 -2.04 -0.04 0.00 -1.16 0.00 0.00 32.46 29.28 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 -3.35 3.89 0.73 7.54 0.00 0.34 -4.98 121.76 125.92 1uw0 s ALA 63 Ca 0.52 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 1uw0 s ALA 63 Cb 0.45 -1.07 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1uw0 s ALA 63 CO 0.04 -0.08 1.16 1.03 0.00 0.00 0.00 175.76 177.92 1uw0 s ARG 64 N -4.03 2.24 0.00 0.00 0.52 -1.26 -4.93 118.95 111.49 1uw0 s ARG 64 Ca 0.43 1.58 0.23 0.00 -0.52 0.00 0.00 55.73 57.45 1uw0 s ARG 64 Cb -0.04 -1.86 0.98 0.00 0.52 0.00 0.00 34.95 34.54 1uw0 s ARG 64 CO 0.27 -1.72 1.68 0.00 0.02 0.00 0.00 175.30 175.55 1uw0 n ALA 65 N -2.83 2.56 0.06 2.13 0.00 -1.26 -4.02 120.51 117.15 1uw0 n ALA 65 Ca 0.12 -0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.02 1uw0 n ALA 65 Cb 0.51 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 1uw0 n ALA 65 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1uw0 h THR 66 N 1.56 1.18 -3.06 0.00 2.02 -2.04 -3.45 112.91 109.13 1uw0 h THR 66 Ca 0.00 -2.84 -0.64 0.00 0.77 0.00 0.00 66.41 63.69 1uw0 h THR 66 Cb 0.34 2.74 -0.12 0.00 -1.74 0.00 0.00 68.15 69.37 1uw0 h THR 66 CO 0.00 0.81 -0.53 -0.89 0.37 0.00 0.00 175.52 175.28 1uw0 s THR 67 N -2.62 5.07 0.02 3.16 2.01 -1.26 -5.10 115.64 116.92 1uw0 s THR 67 Ca -0.08 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.04 1uw0 s THR 67 Cb 0.07 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1uw0 s THR 67 CO 0.85 0.54 -0.16 -0.54 -0.69 0.00 0.00 174.62 174.62 1uw0 s LYS 68 N -0.37 2.19 0.01 4.92 -0.14 -1.26 -4.87 119.74 120.22 1uw0 s LYS 68 Ca 0.10 -0.91 0.02 0.00 -1.36 0.00 0.00 55.97 53.82 1uw0 s LYS 68 Cb -0.12 -2.25 -0.01 0.00 -1.68 0.00 0.00 37.83 33.77 1uw0 s LYS 68 CO 0.02 0.56 -0.07 0.15 -0.76 0.00 0.00 175.35 175.24 1uw0 s LYS 69 N -1.34 0.56 -0.13 1.68 1.02 -1.26 -5.01 119.74 115.26 1uw0 s LYS 69 Ca 0.15 -0.42 -0.09 0.00 0.02 0.00 0.00 55.97 55.63 1uw0 s LYS 69 Cb -0.11 -0.49 0.03 0.00 -0.52 0.00 0.00 37.83 36.75 1uw0 s LYS 69 CO 0.05 0.12 0.17 -0.89 -0.92 0.00 0.00 175.35 173.89 1uw0 n ILE 70 N 2.45-10.01 -4.05 2.17 5.41 -1.26 -4.97 119.36 109.09 1uw0 n ILE 70 Ca -0.16 2.15 -0.35 0.00 1.00 0.00 0.00 62.75 65.38 1uw0 n ILE 70 Cb 0.57 -5.49 -0.08 0.00 -0.71 0.00 0.00 39.64 33.92 1uw0 n ILE 70 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1uw0 s GLU 71 N -0.49 3.57 1.99 0.38 2.56 -1.26 -4.99 118.70 120.46 1uw0 s GLU 71 Ca -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.97 54.48 1uw0 s GLU 71 Cb 0.01 -3.11 0.00 0.00 2.00 0.00 0.00 34.13 33.04 1uw0 s GLU 71 CO 0.54 0.54 0.00 -3.47 -0.56 0.00 0.00 175.26 172.31 1uw0 n ASP 72 N 2.70 -2.80 -2.41 -1.70 -0.08 -1.26 -4.42 116.55 106.58 1uw0 n ASP 72 Ca -0.18 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.02 1uw0 n ASP 72 Cb 0.53 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.04 1uw0 n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1uw0 n LEU 73 N 0.00 2.72 -2.16 -2.67 -0.00 -1.26 -4.82 117.00 108.81 1uw0 n LEU 73 Ca 0.00 -3.58 -0.01 0.00 -0.00 0.00 0.00 56.01 52.42 1uw0 n LEU 73 Cb 0.00 0.14 0.04 0.00 -0.00 0.00 0.00 43.42 43.60 1uw0 n LEU 73 CO 0.00 1.38 0.22 0.41 -0.00 0.00 0.00 177.39 179.40 1uw0 n THR 74 N -0.59 0.45 -2.48 1.47 -1.04 -1.26 -4.91 114.28 105.91 1uw0 n THR 74 Ca 0.20 -1.51 -0.04 0.00 -2.04 0.00 0.00 64.05 60.66 1uw0 n THR 74 Cb 0.87 1.03 0.05 0.00 -1.82 0.00 0.00 70.33 70.46 1uw0 n THR 74 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1uw0 n GLU 75 N -0.45 1.83 -4.08 -2.82 2.13 -1.26 -5.08 120.64 110.90 1uw0 n GLU 75 Ca -0.05 -3.36 -0.12 0.00 0.66 0.00 0.00 57.16 54.29 1uw0 n GLU 75 Cb 0.89 -1.46 -0.11 0.00 0.27 0.00 0.00 31.44 31.03 1uw0 n GLU 75 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1uw0 s LEU 76 N -3.00 2.32 -0.47 4.31 1.43 -1.26 -4.94 118.68 117.07 1uw0 s LEU 76 Ca 0.35 -0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 1uw0 s LEU 76 Cb 0.36 -0.11 0.03 0.00 0.03 0.00 0.00 46.19 46.49 1uw0 s LEU 76 CO -0.05 -0.29 1.09 -0.70 0.23 0.00 0.00 176.35 176.63 1uw0 s GLU 77 N -2.19 3.69 0.00 1.70 2.12 -1.20 -3.89 118.70 118.93 1uw0 s GLU 77 Ca -0.05 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1uw0 s GLU 77 Cb -0.06 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.43 1uw0 s GLU 77 CO -0.01 -1.33 0.00 0.41 -0.54 0.00 0.00 175.26 173.79 1uw0 n GLY 78 N 4.83 2.68 0.23 -1.50 0.00 -1.26 -2.01 105.19 108.17 1uw0 n GLY 78 Ca 0.11 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 0.14 -0.86 1.61 5.08 -1.68 -2.62 115.95 117.61 1uw0 h TRP 79 Ca 0.00 -0.01 0.18 0.00 1.08 0.00 0.00 58.89 60.14 1uw0 h TRP 79 Cb 0.00 -0.04 -0.06 0.00 -3.00 0.00 0.00 29.16 26.06 1uw0 h TRP 79 CO 0.00 0.28 0.57 1.49 -1.28 0.00 0.00 178.44 179.50 1uw0 h GLU 80 N 0.13 0.44 0.08 0.12 4.81 -1.94 -1.13 114.58 117.09 1uw0 h GLU 80 Ca 0.03 -0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1uw0 h GLU 80 Cb 0.34 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1uw0 h GLU 80 CO 0.02 0.29 -1.33 0.93 -0.73 0.00 0.00 179.01 178.19 1uw0 h GLU 81 N 0.46 0.16 -6.27 1.92 5.08 -1.87 -3.47 114.58 110.59 1uw0 h GLU 81 Ca 0.44 -0.27 -0.29 0.00 -1.00 0.00 0.00 59.36 58.24 1uw0 h GLU 81 Cb 1.02 0.10 0.16 0.00 0.50 0.00 0.00 28.75 30.53 1uw0 h GLU 81 CO -0.17 1.04 -0.47 -0.11 -1.00 0.00 0.00 179.01 178.30 1uw0 n LEU 82 N -3.40 -1.48 -4.87 1.33 7.94 -0.43 -5.00 117.00 111.09 1uw0 n LEU 82 Ca -0.10 -0.38 -0.21 0.00 -1.11 0.00 0.00 56.01 54.21 1uw0 n LEU 82 Cb 1.01 -0.83 -0.04 0.00 0.53 0.00 0.00 43.42 44.10 1uw0 n LEU 82 CO 0.50 -3.35 -0.12 -0.70 -1.11 0.00 0.00 177.39 172.61 1uw0 s GLU 83 N -3.62 3.03 0.20 1.96 2.12 -1.26 -4.96 118.70 116.18 1uw0 s GLU 83 Ca 0.44 -1.01 -0.12 0.00 0.36 0.00 0.00 54.97 54.64 1uw0 s GLU 83 Cb -0.08 -2.64 0.13 0.00 0.26 0.00 0.00 34.13 31.80 1uw0 s GLU 83 CO 0.43 0.36 1.87 0.22 -0.54 0.00 0.00 175.26 177.60 1uw0 h ASP 84 N 1.36 0.77 0.07 -1.70 1.82 -1.95 0.18 116.42 116.97 1uw0 h ASP 84 Ca -0.49 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1uw0 h ASP 84 Cb 1.24 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.06 1uw0 h ASP 84 CO 0.60 0.56 -0.03 -1.13 -1.61 0.00 0.00 179.24 177.62 1uw0 h ASN 85 N 0.91 -0.08 -0.73 2.28 -0.73 -2.00 -1.08 115.58 114.15 1uw0 h ASN 85 Ca 0.25 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 1uw0 h ASN 85 Cb -0.10 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.47 1uw0 h ASN 85 CO -0.06 0.02 0.35 -0.33 -0.37 0.00 0.00 177.43 177.05 1uw0 h GLU 86 N -0.18 1.07 -0.85 6.67 5.08 -1.91 -2.21 114.58 122.25 1uw0 h GLU 86 Ca -0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1uw0 h GLU 86 Cb 0.15 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1uw0 h GLU 86 CO 0.02 0.83 0.53 -0.22 -1.00 0.00 0.00 179.01 179.16 1uw0 h LYS 87 N 1.06 1.13 -0.87 2.33 3.64 -0.28 -2.05 116.57 121.53 1uw0 h LYS 87 Ca 0.26 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1uw0 h LYS 87 Cb 0.12 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 1uw0 h LYS 87 CO -0.03 0.78 0.57 1.49 -2.27 0.00 0.00 179.45 179.98 1uw0 h GLU 88 N 1.16 0.96 -0.87 1.90 4.81 -0.56 -1.66 114.58 120.33 1uw0 h GLU 88 Ca 0.31 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1uw0 h GLU 88 Cb -0.08 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.03 1uw0 h GLU 88 CO -0.06 0.64 0.57 1.96 -0.73 0.00 0.00 179.01 181.38 1uw0 h GLN 89 N 0.99 1.01 -0.67 1.92 7.50 -1.30 -1.67 115.11 122.90 1uw0 h GLN 89 Ca 0.37 -0.06 -0.07 0.00 0.50 0.00 0.00 58.65 59.39 1uw0 h GLN 89 Cb 0.18 -0.23 -0.03 0.00 0.05 0.00 0.00 27.48 27.46 1uw0 h GLN 89 CO -0.13 0.67 0.14 0.82 -1.50 0.00 0.00 178.83 178.83 1uw0 h ILE 90 N 1.04 1.26 -0.97 2.54 2.04 -1.31 -2.63 117.51 119.47 1uw0 h ILE 90 Ca 0.36 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.30 1uw0 h ILE 90 Cb 0.10 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 1uw0 h ILE 90 CO -0.12 0.37 0.63 0.74 0.00 0.00 0.00 178.15 179.78 1uw0 h THR 91 N 1.01 1.08 -0.95 -0.27 2.02 -1.16 -1.29 112.91 113.36 1uw0 h THR 91 Ca 0.21 -0.39 0.08 0.00 0.77 0.00 0.00 66.41 67.08 1uw0 h THR 91 Cb 0.39 -0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 66.58 1uw0 h THR 91 CO 0.01 0.21 0.61 1.56 0.37 0.00 0.00 175.52 178.27 1uw0 h GLN 92 N 1.13 1.02 0.39 6.66 1.08 -1.24 0.31 115.11 124.47 1uw0 h GLN 92 Ca 0.42 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.54 1uw0 h GLN 92 Cb 0.18 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1uw0 h GLN 92 CO -0.16 0.68 -0.19 0.45 -0.95 0.00 0.00 178.83 178.65 1uw0 h HIS 93 N 1.05 -0.49 -0.70 2.96 3.86 -1.23 0.11 115.15 120.72 1uw0 h HIS 93 Ca 0.42 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.58 1uw0 h HIS 93 Cb 0.25 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 1uw0 h HIS 93 CO -0.00 -0.25 0.29 0.82 0.86 0.00 0.00 177.93 179.65 1uw0 h ILE 94 N -0.62 1.24 -0.74 2.45 5.03 -1.29 -2.24 117.51 121.32 1uw0 h ILE 94 Ca -0.05 -0.73 -0.03 0.00 -0.12 0.00 0.00 64.86 63.93 1uw0 h ILE 94 Cb 0.46 0.39 -0.03 0.00 -3.03 0.00 0.00 36.82 34.61 1uw0 h ILE 94 CO 0.09 0.30 0.36 0.00 -0.68 0.00 0.00 178.15 178.22 1uw0 h ALA 95 N 1.31 1.23 -0.32 1.87 0.00 -0.15 -2.42 119.26 120.78 1uw0 h ALA 95 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uw0 h ALA 95 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1uw0 h ALA 95 CO -0.02 0.59 0.20 0.22 0.00 0.00 0.00 179.25 180.23 1uw0 h ASP 96 N 1.05 0.38 -0.55 0.00 1.82 -0.17 -2.18 116.42 116.77 1uw0 h ASP 96 Ca 0.26 -0.05 0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1uw0 h ASP 96 Cb 0.10 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 39.98 1uw0 h ASP 96 CO -0.03 0.32 0.37 -0.07 -1.61 0.00 0.00 179.24 178.21 1uw0 h LEU 97 N 0.41 0.58 -6.80 2.28 4.07 -1.20 -3.15 115.31 111.50 1uw0 h LEU 97 Ca 0.12 -0.01 -0.78 0.00 0.08 0.00 0.00 57.88 57.28 1uw0 h LEU 97 Cb 0.00 -0.14 -0.30 0.00 1.08 0.00 0.00 40.66 41.31 1uw0 h LEU 97 CO -0.02 0.41 0.63 -1.20 -1.08 0.00 0.00 178.44 177.17 1uw0 n SER 98 N -4.46 6.16 -1.06 -0.43 7.64 -0.82 -5.01 113.62 115.64 1uw0 n SER 98 Ca 0.06 -3.43 0.00 0.00 1.01 0.00 0.00 58.87 56.51 1uw0 n SER 98 Cb 0.11 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1uw0 n SER 98 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uw0 n SER 99 N 1.20 0.66 0.01 6.43 2.88 -1.19 -4.89 113.62 118.71 1uw0 n SER 99 Ca 0.27 -0.53 -0.03 0.00 -1.33 0.00 0.00 58.87 57.25 1uw0 n SER 99 Cb 0.34 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.79 1uw0 n SER 99 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1uw0 n LYS 100 N -0.36 0.13 -3.73 -1.46 3.00 -1.26 -5.09 118.16 109.39 1uw0 n LYS 100 Ca 0.00 0.05 -0.12 0.00 -0.00 0.00 0.00 58.31 58.24 1uw0 n LYS 100 Cb 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 35.03 34.20 1uw0 n LYS 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uw0 s ALA 101 N -2.20 -0.91 -0.41 3.14 0.00 -1.26 -5.11 121.76 115.00 1uw0 s ALA 101 Ca -0.07 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.07 1uw0 s ALA 101 Cb 0.01 -0.68 0.17 0.00 0.00 0.00 0.00 23.12 22.62 1uw0 s ALA 101 CO 0.10 -0.20 0.42 0.00 0.00 0.00 0.00 175.76 176.09 1uw0 s ALA 102 N 0.57 -0.03 0.12 0.00 0.00 -1.26 -5.14 121.76 116.02 1uw0 s ALA 102 Ca -0.03 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.49 1uw0 s ALA 102 Cb -0.05 -1.99 -0.00 0.00 0.00 0.00 0.00 23.12 21.08 1uw0 s ALA 102 CO -0.03 -2.10 0.03 0.41 0.00 0.00 0.00 175.76 174.06 1uw0 n GLY 103 N 3.49 3.90 3.13 0.00 0.00 -1.26 -5.17 105.19 109.28 1uw0 n GLY 103 Ca 0.19 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.87 0.92 -1.07 2.61 -4.23 -1.26 -5.07 115.64 105.68 1uw0 s THR 104 Ca 0.05 -1.15 -0.23 0.00 -1.18 0.00 0.00 61.69 59.18 1uw0 s THR 104 Cb 0.00 -0.90 -0.02 0.00 1.34 0.00 0.00 72.50 72.92 1uw0 s THR 104 CO 0.03 -0.22 1.82 -2.16 -0.54 0.00 0.00 174.62 173.55 1uw0 s PRO 105 N -1.53 2.93 0.11 3.99 0.04 -1.26 -4.91 135.00 134.37 1uw0 s PRO 105 Ca -0.04 -0.95 -0.04 0.00 0.04 0.00 0.00 61.00 60.02 1uw0 s PRO 105 Cb -0.09 -5.24 -0.03 0.00 0.04 0.00 0.00 34.50 29.18 1uw0 s PRO 105 CO 0.01 -3.18 0.10 0.21 0.04 0.00 0.00 177.00 174.18 1uw0 s LYS 106 N 6.07 0.87 0.04 4.56 2.20 -1.26 -5.10 119.74 127.11 1uw0 s LYS 106 Ca 0.63 -1.25 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1uw0 s LYS 106 Cb -0.02 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 1uw0 s LYS 106 CO 0.03 -0.25 -0.04 1.63 -0.36 0.00 0.00 175.35 176.36 1uw0 n LYS 107 N -0.05 0.06 -4.35 4.03 5.02 -1.26 -5.11 118.16 116.49 1uw0 n LYS 107 Ca -0.10 0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.03 1uw0 n LYS 107 Cb 0.63 -0.45 -0.10 0.00 -0.02 0.00 0.00 35.03 35.08 1uw0 n LYS 107 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1uw0 s LYS 108 N -1.75 1.42 0.29 1.97 1.02 -1.26 -5.17 119.74 116.26 1uw0 s LYS 108 Ca -0.03 -1.74 0.11 0.00 0.02 0.00 0.00 55.97 54.32 1uw0 s LYS 108 Cb 0.00 -0.62 -0.05 0.00 -0.52 0.00 0.00 37.83 36.64 1uw0 s LYS 108 CO 0.05 -0.14 -0.10 0.00 -0.92 0.00 0.00 175.35 174.23 1uw0 s ALA 109 N -3.44 2.96 0.07 5.17 0.00 -1.26 -5.15 121.76 120.11 1uw0 s ALA 109 Ca 0.32 -1.86 0.05 0.00 0.00 0.00 0.00 51.96 50.47 1uw0 s ALA 109 Cb 0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1uw0 s ALA 109 CO 0.11 0.22 -0.14 0.54 0.00 0.00 0.00 175.76 176.48 1uw0 s VAL 110 N -2.47 1.13 0.01 0.00 0.11 -1.26 -5.16 120.40 112.77 1uw0 s VAL 110 Ca 0.32 -1.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.11 1uw0 s VAL 110 Cb -0.04 -1.08 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 1uw0 s VAL 110 CO 0.17 -0.18 -0.04 0.68 -3.33 0.00 0.00 175.10 172.40 1uw0 s VAL 111 N -1.20 0.26 -0.42 2.04 -7.23 -1.26 -5.12 120.40 107.46 1uw0 s VAL 111 Ca -0.01 -0.51 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 1uw0 s VAL 111 Cb -0.10 -0.29 0.14 0.00 0.56 0.00 0.00 36.38 36.69 1uw0 s VAL 111 CO 0.02 -0.17 0.25 -1.10 -0.31 0.00 0.00 175.10 173.80 1uw0 s GLN 112 N -0.72 1.09 -0.11 4.82 -1.52 -1.26 -5.10 119.66 116.87 1uw0 s GLN 112 Ca -0.05 -1.88 0.03 0.00 -1.95 0.00 0.00 55.36 51.50 1uw0 s GLN 112 Cb -0.05 -2.00 0.01 0.00 -0.22 0.00 0.00 33.01 30.74 1uw0 s GLN 112 CO -0.00 -1.20 -0.21 0.00 -0.25 0.00 0.00 175.29 173.63 1uw0 s ALA 113 N 0.45 2.05 -0.34 6.09 0.00 -1.26 -5.10 121.76 123.65 1uw0 s ALA 113 Ca 0.20 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1uw0 s ALA 113 Cb -0.20 -0.86 0.10 0.00 0.00 0.00 0.00 23.12 22.16 1uw0 s ALA 113 CO -0.02 0.10 0.04 0.15 0.00 0.00 0.00 175.76 176.03 1uw0 s LYS 114 N 0.64 1.51 -0.13 0.00 1.02 -1.26 -5.09 119.74 116.43 1uw0 s LYS 114 Ca -0.12 -1.84 0.01 0.00 0.02 0.00 0.00 55.97 54.03 1uw0 s LYS 114 Cb -0.16 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 1uw0 s LYS 114 CO 0.03 -0.92 -0.17 -0.51 -0.92 0.00 0.00 175.35 172.86 1uw0 s LEU 115 N 0.92 2.45 -0.30 3.17 1.43 -1.26 -5.09 118.68 120.00 1uw0 s LEU 115 Ca 0.10 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1uw0 s LEU 115 Cb -0.19 -1.54 0.11 0.00 0.03 0.00 0.00 46.19 44.60 1uw0 s LEU 115 CO -0.08 0.14 0.14 -0.89 0.23 0.00 0.00 176.35 175.89 1uw0 s THR 116 N 0.51 0.08 0.00 5.49 2.01 -1.26 -5.36 115.64 117.11 1uw0 s THR 116 Ca -0.11 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.88 1uw0 s THR 116 Cb -0.16 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1uw0 s THR 116 CO 0.05 -0.77 0.47 0.35 -0.69 0.00 0.00 174.62 174.02