#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 1.65 0.07 -5.12 0.00 -1.26 -5.03 121.76 112.07 1uw0 s ALA 2 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1uw0 s ALA 2 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1uw0 s ALA 2 CO 0.00 0.21 0.00 0.39 0.00 0.00 0.00 175.76 176.36 1uw0 n GLU 3 N 3.59 0.00 -3.71 0.00 -0.58 -1.26 -5.02 120.64 113.66 1uw0 n GLU 3 Ca -0.21 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.42 1uw0 n GLU 3 Cb 0.52 -0.12 -0.10 0.00 -0.57 0.00 0.00 31.44 31.17 1uw0 n GLU 3 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1uw0 s GLN 4 N -1.40 0.46 0.03 3.49 -2.07 -1.26 -4.66 119.66 114.24 1uw0 s GLN 4 Ca 0.00 0.72 0.07 0.00 -1.82 0.00 0.00 55.36 54.33 1uw0 s GLN 4 Cb 0.00 0.11 -0.02 0.00 -1.09 0.00 0.00 33.01 32.00 1uw0 s GLN 4 CO 0.00 -0.11 -0.20 1.03 -1.32 0.00 0.00 175.29 174.69 1uw0 s ARG 5 N 0.86 1.39 0.12 9.60 0.52 -0.92 -5.00 118.95 125.53 1uw0 s ARG 5 Ca -0.05 -0.88 0.10 0.00 -0.52 0.00 0.00 55.73 54.38 1uw0 s ARG 5 Cb -0.06 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.90 1uw0 s ARG 5 CO -0.07 0.38 -0.24 -0.06 0.02 0.00 0.00 175.30 175.33 1uw0 s PHE 6 N -0.74 2.38 0.17 -0.53 0.08 -1.26 0.10 117.98 118.19 1uw0 s PHE 6 Ca 0.07 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1uw0 s PHE 6 Cb -0.08 -1.29 -0.05 0.00 -0.57 0.00 0.00 43.02 41.03 1uw0 s PHE 6 CO 0.01 0.34 0.01 0.00 -0.10 0.00 0.00 175.22 175.49 1uw0 s VAL 8 N -3.71 -0.02 0.02 0.00 0.11 -1.11 -0.67 120.40 115.03 1uw0 s VAL 8 Ca 0.25 -0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.32 1uw0 s VAL 8 Cb 0.06 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1uw0 s VAL 8 CO 0.04 -0.14 -0.19 -0.62 -3.33 0.00 0.00 175.10 170.86 1uw0 s ASP 9 N 2.11 2.25 -0.13 3.54 -1.08 -0.75 -4.19 116.67 118.42 1uw0 s ASP 9 Ca 0.03 -0.44 -0.08 0.00 -0.52 0.00 0.00 52.55 51.54 1uw0 s ASP 9 Cb -0.15 -0.21 -0.04 0.00 -1.46 0.00 0.00 42.92 41.06 1uw0 s ASP 9 CO -0.07 0.17 0.15 -0.31 0.52 0.00 0.00 175.17 175.63 1uw0 s TYR 10 N -0.65 3.56 0.24 -5.34 1.51 -1.26 -2.21 117.35 113.19 1uw0 s TYR 10 Ca 0.07 0.51 -0.31 0.00 -1.01 0.00 0.00 57.07 56.33 1uw0 s TYR 10 Cb -0.08 -2.01 -0.13 0.00 -0.11 0.00 0.00 41.96 39.63 1uw0 s TYR 10 CO 0.01 0.63 1.40 0.00 -1.11 0.00 0.00 175.55 176.48 1uw0 n ALA 11 N 2.32 1.06 0.04 3.71 0.00 -0.93 -4.91 120.51 121.80 1uw0 n ALA 11 Ca -0.19 0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.66 1uw0 n ALA 11 Cb 0.54 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 1uw0 n ALA 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uw0 n LYS 12 N 2.04 0.01 -2.57 0.00 4.81 -1.26 -3.87 118.16 117.33 1uw0 n LYS 12 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1uw0 n LYS 12 Cb 0.31 -0.52 0.07 0.00 0.02 0.00 0.00 35.03 34.91 1uw0 n LYS 12 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1uw0 n ARG 13 N -3.42 1.37 -3.85 1.64 1.74 -1.26 -4.89 116.66 107.99 1uw0 n ARG 13 Ca -0.00 -2.47 -0.10 0.00 -0.77 0.00 0.00 57.85 54.51 1uw0 n ARG 13 Cb 0.11 -0.67 -0.08 0.00 -1.02 0.00 0.00 32.46 30.80 1uw0 n ARG 13 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1uw0 s GLY 14 N -2.60 0.06 -0.01 -0.13 0.00 -1.26 -5.10 107.32 98.28 1uw0 s GLY 14 Ca 0.20 -0.45 -0.01 0.00 0.00 0.00 0.00 44.72 44.46 1uw0 s GLY 14 CO -0.08 -0.64 0.02 -0.51 0.00 0.00 0.00 173.10 171.89 1uw0 s THR 15 N -3.25 0.01 -0.04 0.90 -4.23 -1.26 -4.38 115.64 103.39 1uw0 s THR 15 Ca 0.00 -0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.15 1uw0 s THR 15 Cb 0.02 -0.05 0.08 0.00 1.34 0.00 0.00 72.50 73.88 1uw0 s THR 15 CO -0.08 -0.04 0.71 0.00 -0.54 0.00 0.00 174.62 174.68 1uw0 s ALA 16 N -0.10 -1.77 0.07 3.99 0.00 -1.15 -4.93 121.76 117.87 1uw0 s ALA 16 Ca -0.01 1.26 -0.34 0.00 0.00 0.00 0.00 51.96 52.87 1uw0 s ALA 16 Cb -0.01 0.02 -0.14 0.00 0.00 0.00 0.00 23.12 23.00 1uw0 s ALA 16 CO -0.00 -0.41 1.64 0.41 0.00 0.00 0.00 175.76 177.41 1uw0 n GLY 17 N 0.75 1.15 3.71 0.00 0.00 -1.26 -0.95 105.19 108.58 1uw0 n GLY 17 Ca -0.18 0.72 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 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 1.78 3.34 -0.98 0.00 3.01 0.29 -3.42 119.74 123.76 1uw0 s LYS 19 Ca 0.72 1.06 0.00 0.00 -1.01 0.00 0.00 55.97 56.74 1uw0 s LYS 19 Cb -0.42 -2.04 0.00 0.00 -1.01 0.00 0.00 37.83 34.36 1uw0 s LYS 19 CO 0.32 -0.78 0.00 1.17 0.51 0.00 0.00 175.35 176.56 1uw0 n LYS 20 N -2.31 -1.17 -3.62 1.68 3.00 -1.26 -3.97 118.16 110.50 1uw0 n LYS 20 Ca 0.08 0.77 -0.05 0.00 -0.00 0.00 0.00 58.31 59.11 1uw0 n LYS 20 Cb 0.53 -4.87 -0.05 0.00 0.00 0.00 0.00 35.03 30.64 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 -0.95 3.65 0.10 0.00 2.20 -1.26 -4.46 119.74 119.02 1uw0 s LYS 22 Ca 0.05 -1.56 -0.09 0.00 -0.36 0.00 0.00 55.97 54.00 1uw0 s LYS 22 Cb -0.01 -5.14 0.03 0.00 -1.51 0.00 0.00 37.83 31.20 1uw0 s LYS 22 CO -0.05 -1.98 0.46 -1.91 -0.36 0.00 0.00 175.35 171.51 1uw0 n GLU 23 N 7.56 0.34 -4.25 4.03 2.13 -1.26 -5.02 120.64 124.17 1uw0 n GLU 23 Ca 0.30 -0.75 -0.20 0.00 0.66 0.00 0.00 57.16 57.17 1uw0 n GLU 23 Cb 0.49 0.99 -0.12 0.00 0.27 0.00 0.00 31.44 33.08 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 1.04 -0.27 5.31 3.01 -1.26 -0.32 119.74 125.22 1uw0 s LYS 24 Ca 0.10 -1.19 -0.08 0.00 -1.01 0.00 0.00 55.97 53.79 1uw0 s LYS 24 Cb -0.01 -1.05 -0.02 0.00 -1.01 0.00 0.00 37.83 35.73 1uw0 s LYS 24 CO 0.03 0.22 0.10 0.42 0.51 0.00 0.00 175.35 176.63 1uw0 s ILE 25 N -1.73 4.46 0.26 2.17 1.01 -0.13 -4.71 121.20 122.52 1uw0 s ILE 25 Ca 0.07 -0.22 0.10 0.00 0.00 0.00 0.00 60.65 60.61 1uw0 s ILE 25 Cb -0.07 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 1uw0 s ILE 25 CO 0.04 0.26 -0.09 -0.69 0.00 0.00 0.00 174.94 174.46 1uw0 s VAL 26 N 1.62 3.07 0.16 2.92 1.01 -1.26 -2.96 120.40 124.97 1uw0 s VAL 26 Ca 0.06 -2.04 -0.34 0.00 0.00 0.00 0.00 61.98 59.66 1uw0 s VAL 26 Cb -0.16 -2.61 -0.15 0.00 0.00 0.00 0.00 36.38 33.46 1uw0 s VAL 26 CO 0.05 -0.34 1.28 1.17 0.00 0.00 0.00 175.10 177.27 1uw0 n LYS 27 N -0.63 1.39 0.00 2.72 4.81 -1.26 -2.69 118.16 122.49 1uw0 n LYS 27 Ca -0.07 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1uw0 n LYS 27 Cb 0.59 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.56 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 2.29 1.04 3.18 3.14 0.00 -1.25 -5.04 105.19 108.56 1uw0 n GLY 28 Ca 0.16 0.00 -0.28 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 1.67 0.14 1.61 0.11 -1.09 -4.98 120.40 115.86 1uw0 s VAL 29 Ca 0.00 -0.85 -0.21 0.00 -2.93 0.00 0.00 61.98 57.99 1uw0 s VAL 29 Cb 0.00 -1.43 -0.07 0.00 -1.53 0.00 0.00 36.38 33.35 1uw0 s VAL 29 CO 0.00 0.47 0.66 0.00 -3.33 0.00 0.00 175.10 172.91 1uw0 s ARG 31 N -1.42 0.23 -0.19 0.00 1.70 -0.94 -4.37 118.95 113.97 1uw0 s ARG 31 Ca 0.35 -0.32 -0.06 0.00 -0.47 0.00 0.00 55.73 55.23 1uw0 s ARG 31 Cb -0.19 -0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.09 1uw0 s ARG 31 CO 0.22 0.01 0.03 0.42 -1.08 0.00 0.00 175.30 174.89 1uw0 s ILE 32 N -0.67 4.30 -0.16 4.99 1.01 -1.14 -1.81 121.20 127.72 1uw0 s ILE 32 Ca -0.06 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 1uw0 s ILE 32 Cb -0.05 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1uw0 s ILE 32 CO -0.00 0.44 0.08 -0.83 0.00 0.00 0.00 174.94 174.62 1uw0 s GLY 33 N 0.74 1.97 -0.25 6.18 0.00 0.16 -3.65 107.32 112.47 1uw0 s GLY 33 Ca 0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 43.92 1uw0 s GLY 33 CO 0.02 -0.13 0.11 1.25 0.00 0.00 0.00 173.10 174.35 1uw0 s LYS 34 N -0.14 3.81 -0.39 2.90 2.20 -1.25 0.13 119.74 127.00 1uw0 s LYS 34 Ca 0.08 -0.40 -0.20 0.00 -0.36 0.00 0.00 55.97 55.09 1uw0 s LYS 34 Cb -0.12 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 1uw0 s LYS 34 CO 0.01 -0.10 0.61 0.08 -0.36 0.00 0.00 175.35 175.59 1uw0 s VAL 35 N 1.43 4.89 0.00 4.02 1.01 0.28 -3.90 120.40 128.14 1uw0 s VAL 35 Ca 0.06 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.43 1uw0 s VAL 35 Cb -0.15 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1uw0 s VAL 35 CO 0.05 -0.42 -0.26 -0.69 0.00 0.00 0.00 175.10 173.79 1uw0 s VAL 36 N 2.68 2.04 0.05 2.92 1.01 -0.75 -2.17 120.40 126.17 1uw0 s VAL 36 Ca 0.22 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1uw0 s VAL 36 Cb -0.15 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1uw0 s VAL 36 CO 0.16 0.50 1.19 -2.16 0.00 0.00 0.00 175.10 174.79 1uw0 s PRO 37 N -0.80 4.43 0.19 2.72 0.04 -1.26 -1.29 135.00 139.04 1uw0 s PRO 37 Ca 0.10 1.74 0.05 0.00 0.04 0.00 0.00 61.00 62.93 1uw0 s PRO 37 Cb -0.10 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1uw0 s PRO 37 CO -0.00 -0.26 0.22 -0.80 0.04 0.00 0.00 177.00 176.20 1uw0 s ASN 38 N 1.09 5.83 -0.37 6.66 0.01 -0.61 -4.96 114.94 122.59 1uw0 s ASN 38 Ca 0.58 -0.06 -0.29 0.00 -0.71 0.00 0.00 52.86 52.38 1uw0 s ASN 38 Cb -0.29 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 39.77 1uw0 s ASN 38 CO 0.29 0.02 1.51 -2.16 -1.51 0.00 0.00 177.10 175.25 1uw0 s PRO 39 N -3.45 3.55 -0.15 -0.60 0.04 -1.26 -4.42 135.00 128.71 1uw0 s PRO 39 Ca 0.33 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 1uw0 s PRO 39 Cb -0.10 -4.06 0.03 0.00 0.04 0.00 0.00 34.50 30.42 1uw0 s PRO 39 CO 0.26 -1.59 0.16 0.34 0.04 0.00 0.00 177.00 176.21 1uw0 n PHE 40 N 9.09 -3.24 -4.24 0.56 -0.00 -1.26 -5.02 117.46 113.35 1uw0 n PHE 40 Ca 0.18 1.84 -0.25 0.00 -0.00 0.00 0.00 57.45 59.22 1uw0 n PHE 40 Cb 0.47 -3.14 -0.08 0.00 -0.00 0.00 0.00 39.48 36.74 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 -0.60 4.65 -0.25 -2.13 0.01 -1.26 -5.06 113.70 109.06 1uw0 s SER 41 Ca -0.19 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.52 1uw0 s SER 41 Cb 0.01 -0.93 -0.13 0.00 0.21 0.00 0.00 66.02 65.18 1uw0 s SER 41 CO 0.58 0.06 -0.27 1.21 0.41 0.00 0.00 173.24 175.23 1uw0 n GLU 42 N -0.36 0.56 -0.02 12.44 2.13 -1.26 -4.72 120.64 129.41 1uw0 n GLU 42 Ca -0.09 0.19 -0.21 0.00 0.66 0.00 0.00 57.16 57.71 1uw0 n GLU 42 Cb 0.56 -1.43 -0.13 0.00 0.27 0.00 0.00 31.44 30.71 1uw0 n GLU 42 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1uw0 h SER 43 N -0.49 0.30 -3.60 4.31 0.87 -2.00 -3.48 113.55 109.46 1uw0 h SER 43 Ca -0.59 -0.80 -0.17 0.00 -1.23 0.00 0.00 61.79 59.00 1uw0 h SER 43 Cb 1.68 -0.10 -0.27 0.00 -0.44 0.00 0.00 62.40 63.27 1uw0 h SER 43 CO -0.25 1.66 -0.41 -0.83 -0.53 0.00 0.00 176.83 176.47 1uw0 s GLY 44 N -5.12 -0.20 0.27 5.77 0.00 -1.26 -5.04 107.32 101.74 1uw0 s GLY 44 Ca -0.23 0.94 -0.04 0.00 0.00 0.00 0.00 44.72 45.40 1uw0 s GLY 44 CO 0.72 0.99 1.92 -1.33 0.00 0.00 0.00 173.10 175.40 1uw0 h GLY 45 N 6.38 1.25 -4.75 0.20 0.00 -1.93 -3.43 103.07 100.80 1uw0 h GLY 45 Ca -0.32 -0.51 -0.66 0.00 0.00 0.00 0.00 47.33 45.84 1uw0 h GLY 45 CO 0.34 0.50 -0.64 0.99 0.00 0.00 0.00 176.54 177.73 1uw0 s ASP 46 N -6.27 5.18 0.14 0.19 1.01 -1.26 -1.57 116.67 114.10 1uw0 s ASP 46 Ca -0.12 -0.05 0.10 0.00 0.71 0.00 0.00 52.55 53.19 1uw0 s ASP 46 Cb 0.17 -1.33 -0.04 0.00 1.01 0.00 0.00 42.92 42.73 1uw0 s ASP 46 CO 0.81 0.24 -0.19 -0.32 0.21 0.00 0.00 175.17 175.92 1uw0 s MET 47 N -1.89 1.73 0.01 8.23 1.75 -0.41 -4.88 119.30 123.84 1uw0 s MET 47 Ca 0.23 -1.28 0.04 0.00 -1.25 0.00 0.00 55.69 53.43 1uw0 s MET 47 Cb -0.12 -2.05 -0.01 0.00 2.84 0.00 0.00 34.83 35.49 1uw0 s MET 47 CO 0.14 0.45 -0.11 -1.59 -0.65 0.00 0.00 175.02 173.26 1uw0 s LYS 48 N -2.34 0.84 -0.06 4.11 -2.85 -1.26 -1.81 119.74 116.37 1uw0 s LYS 48 Ca 0.19 -0.53 0.05 0.00 -1.00 0.00 0.00 55.97 54.69 1uw0 s LYS 48 Cb -0.10 -0.81 -0.01 0.00 -2.06 0.00 0.00 37.83 34.85 1uw0 s LYS 48 CO 0.10 0.21 -0.24 -1.21 0.10 0.00 0.00 175.35 174.32 1uw0 s GLU 49 N -0.65 2.55 -0.36 1.78 2.02 -1.25 -4.90 118.70 117.89 1uw0 s GLU 49 Ca 0.02 -0.86 -0.20 0.00 0.02 0.00 0.00 54.97 53.95 1uw0 s GLU 49 Cb -0.06 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1uw0 s GLU 49 CO 0.00 0.32 0.61 -1.58 0.02 0.00 0.00 175.26 174.63 1uw0 s TRP 50 N -0.03 3.15 0.37 1.61 0.23 -1.26 -3.84 118.94 119.16 1uw0 s TRP 50 Ca -0.07 0.29 0.05 0.00 -2.03 0.00 0.00 56.10 54.33 1uw0 s TRP 50 Cb -0.14 -3.10 -0.06 0.00 0.03 0.00 0.00 33.47 30.20 1uw0 s TRP 50 CO 0.05 -0.62 0.05 1.52 0.96 0.00 0.00 176.95 178.90 1uw0 s TYR 51 N 2.64 2.11 0.30 -1.98 -0.85 -1.24 0.11 117.35 118.43 1uw0 s TYR 51 Ca 0.23 -0.90 -0.02 0.00 -0.52 0.00 0.00 57.07 55.86 1uw0 s TYR 51 Cb -0.15 -1.44 0.06 0.00 0.38 0.00 0.00 41.96 40.82 1uw0 s TYR 51 CO 0.15 0.13 0.40 0.72 -1.52 0.00 0.00 175.55 175.43 1uw0 n HIS 52 N -0.82 -3.51 -0.08 -3.49 8.25 -1.26 -2.90 115.22 111.41 1uw0 n HIS 52 Ca -0.04 -0.55 -0.13 0.00 -0.26 0.00 0.00 57.72 56.73 1uw0 n HIS 52 Cb 0.67 -0.30 -0.09 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.77 1.00 -0.78 1.59 1.08 -1.99 -2.80 117.51 114.84 1uw0 h ILE 53 Ca -0.13 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.42 1uw0 h ILE 53 Cb 0.43 2.06 -0.04 0.00 -3.07 0.00 0.00 36.82 36.21 1uw0 h ILE 53 CO 0.12 0.34 0.50 0.50 -0.69 0.00 0.00 178.15 178.93 1uw0 h LYS 54 N -1.00 1.04 0.12 2.37 3.64 -1.96 0.83 116.57 121.61 1uw0 h LYS 54 Ca -0.12 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1uw0 h LYS 54 Cb 0.89 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1uw0 h LYS 54 CO -0.07 0.70 -0.06 0.00 -2.27 0.00 0.00 179.45 177.75 1uw0 h MET 56 N -0.24 0.55 0.00 0.00 1.85 -1.17 -2.82 114.93 113.10 1uw0 h MET 56 Ca -0.02 -0.26 -0.04 0.00 -0.61 0.00 0.00 59.70 58.77 1uw0 h MET 56 Cb 0.19 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 1uw0 h MET 56 CO 0.03 0.83 -0.20 0.74 -0.40 0.00 0.00 176.91 177.91 1uw0 h PHE 57 N 0.26 0.00 -1.00 1.39 -1.00 0.78 -2.27 116.94 115.11 1uw0 h PHE 57 Ca 0.05 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.85 1uw0 h PHE 57 Cb 0.69 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.20 1uw0 h PHE 57 CO 0.07 0.20 0.66 0.93 -1.61 0.00 0.00 178.31 178.56 1uw0 h GLU 58 N 0.00 1.28 -0.60 1.51 4.39 0.10 -1.61 114.58 119.65 1uw0 h GLU 58 Ca -0.00 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1uw0 h GLU 58 Cb 0.36 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1uw0 h GLU 58 CO 0.03 0.85 -0.00 0.87 -1.16 0.00 0.00 179.01 179.59 1uw0 h LYS 59 N 1.32 1.07 -0.81 2.33 1.79 -1.36 -2.74 116.57 118.17 1uw0 h LYS 59 Ca 0.38 -0.34 0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1uw0 h LYS 59 Cb -0.10 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.40 1uw0 h LYS 59 CO -0.10 1.04 0.51 -0.07 -1.08 0.00 0.00 179.45 179.75 1uw0 h LEU 60 N 0.97 0.81 -1.44 2.94 4.07 -1.15 0.65 115.31 122.16 1uw0 h LEU 60 Ca 0.17 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.17 1uw0 h LEU 60 Cb 0.56 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 1uw0 h LEU 60 CO 0.03 0.54 0.41 -0.08 -1.08 0.00 0.00 178.44 178.26 1uw0 h GLU 61 N 0.95 0.71 -0.75 1.13 4.81 -1.04 -1.64 114.58 118.75 1uw0 h GLU 61 Ca 0.34 -0.04 -0.40 0.00 -0.13 0.00 0.00 59.36 59.13 1uw0 h GLU 61 Cb 0.10 -0.16 -0.23 0.00 0.63 0.00 0.00 28.75 29.09 1uw0 h GLU 61 CO -0.15 0.47 0.36 0.54 -0.73 0.00 0.00 179.01 179.50 1uw0 n ARG 62 N -4.46 2.13 -4.38 1.92 1.74 -0.24 -4.99 116.66 108.37 1uw0 n ARG 62 Ca 0.08 -3.11 -0.26 0.00 -0.77 0.00 0.00 57.85 53.78 1uw0 n ARG 62 Cb 0.14 -2.05 -0.09 0.00 -1.02 0.00 0.00 32.46 29.44 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 -3.31 3.33 0.70 7.54 0.00 0.06 -5.00 121.76 125.06 1uw0 s ALA 63 Ca 0.53 -2.16 -0.16 0.00 0.00 0.00 0.00 51.96 50.16 1uw0 s ALA 63 Cb 0.45 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1uw0 s ALA 63 CO 0.06 -0.10 1.22 0.50 0.00 0.00 0.00 175.76 177.44 1uw0 s ARG 64 N -3.78 2.33 -0.02 0.00 3.52 -1.26 -4.95 118.95 114.78 1uw0 s ARG 64 Ca 0.37 1.81 0.01 0.00 -0.13 0.00 0.00 55.73 57.79 1uw0 s ARG 64 Cb 0.05 -1.85 -0.26 0.00 -1.56 0.00 0.00 34.95 31.34 1uw0 s ARG 64 CO 0.20 -1.70 0.76 0.00 -0.81 0.00 0.00 175.30 173.74 1uw0 h ALA 65 N 0.00 0.43 -0.95 6.12 0.00 -1.99 -3.35 119.26 119.52 1uw0 h ALA 65 Ca -0.48 -1.23 0.21 0.00 0.00 0.00 0.00 54.91 53.40 1uw0 h ALA 65 Cb 1.30 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 1uw0 h ALA 65 CO 0.51 1.29 0.61 1.15 0.00 0.00 0.00 179.25 182.81 1uw0 h THR 66 N 0.05 0.66 -3.60 0.00 2.02 -2.04 -3.35 112.91 106.66 1uw0 h THR 66 Ca -0.27 -0.16 -0.68 0.00 0.77 0.00 0.00 66.41 66.07 1uw0 h THR 66 Cb 2.00 0.14 -0.29 0.00 -1.74 0.00 0.00 68.15 68.27 1uw0 h THR 66 CO 0.13 0.09 -0.67 -0.89 0.37 0.00 0.00 175.52 174.55 1uw0 s THR 67 N -5.52 3.51 0.04 3.16 2.01 -1.26 -5.10 115.64 112.49 1uw0 s THR 67 Ca -0.09 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.08 1uw0 s THR 67 Cb 0.23 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1uw0 s THR 67 CO 0.79 0.08 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.85 1uw0 s LYS 68 N 1.41 2.01 0.17 4.92 2.20 -1.26 -4.72 119.74 124.47 1uw0 s LYS 68 Ca 0.01 -1.01 0.09 0.00 -0.36 0.00 0.00 55.97 54.69 1uw0 s LYS 68 Cb -0.17 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 1uw0 s LYS 68 CO -0.00 0.53 -0.09 0.15 -0.36 0.00 0.00 175.35 175.58 1uw0 s LYS 69 N -1.40 2.08 -0.14 4.03 3.01 -1.26 -4.92 119.74 121.15 1uw0 s LYS 69 Ca 0.14 -1.23 -0.09 0.00 -1.01 0.00 0.00 55.97 53.77 1uw0 s LYS 69 Cb -0.10 -2.18 0.04 0.00 -1.01 0.00 0.00 37.83 34.57 1uw0 s LYS 69 CO 0.05 0.44 0.19 -0.89 0.51 0.00 0.00 175.35 175.65 1uw0 n ILE 70 N 0.11 -9.77 -4.31 2.17 5.41 -1.26 -4.98 119.36 106.72 1uw0 n ILE 70 Ca -0.11 2.07 -0.34 0.00 1.00 0.00 0.00 62.75 65.36 1uw0 n ILE 70 Cb 0.55 -5.48 -0.10 0.00 -0.71 0.00 0.00 39.64 33.90 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 3.46 1.82 0.38 0.41 -1.26 -5.01 118.70 118.01 1uw0 s GLU 71 Ca -0.22 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.91 1uw0 s GLU 71 Cb 0.01 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1uw0 s GLU 71 CO 0.59 0.44 0.00 -3.47 -0.49 0.00 0.00 175.26 172.33 1uw0 n ASP 72 N 2.96 -2.83 -4.03 -0.19 -0.08 -1.26 -3.89 116.55 107.22 1uw0 n ASP 72 Ca -0.18 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.70 1uw0 n ASP 72 Cb 0.53 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.98 1uw0 n ASP 72 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1uw0 n LEU 73 N 0.00 5.59 0.00 -2.67 7.94 -1.26 -4.97 117.00 121.64 1uw0 n LEU 73 Ca 0.00 -5.19 0.00 0.00 -1.11 0.00 0.00 56.01 49.71 1uw0 n LEU 73 Cb 0.00 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 42.72 1uw0 n LEU 73 CO 0.00 1.64 0.00 0.41 -1.11 0.00 0.00 177.39 178.33 1uw0 n THR 74 N 1.72 0.00 -3.70 1.96 -1.04 -1.25 -5.00 114.28 106.98 1uw0 n THR 74 Ca 0.25 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.99 1uw0 n THR 74 Cb 0.36 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.90 1uw0 n THR 74 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1uw0 n GLU 75 N 0.00 -5.59 -3.95 -2.82 -0.58 -1.26 -4.76 120.64 101.68 1uw0 n GLU 75 Ca 0.00 0.65 -0.10 0.00 -0.42 0.00 0.00 57.16 57.30 1uw0 n GLU 75 Cb 0.00 -5.55 -0.10 0.00 -0.57 0.00 0.00 31.44 25.21 1uw0 n GLU 75 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1uw0 s LEU 76 N -7.13 1.99 -0.47 -4.62 2.96 -1.26 -4.91 118.68 105.24 1uw0 s LEU 76 Ca 0.58 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.91 1uw0 s LEU 76 Cb -0.29 0.34 0.08 0.00 0.50 0.00 0.00 46.19 46.82 1uw0 s LEU 76 CO 0.72 -0.36 0.39 -0.70 -1.32 0.00 0.00 176.35 175.09 1uw0 s GLU 77 N -1.66 2.93 0.00 1.98 2.12 -1.26 -4.41 118.70 118.40 1uw0 s GLU 77 Ca -0.14 -1.41 0.00 0.00 0.36 0.00 0.00 54.97 53.78 1uw0 s GLU 77 Cb -0.08 -4.11 0.00 0.00 0.26 0.00 0.00 34.13 30.21 1uw0 s GLU 77 CO -0.01 -1.06 0.00 0.41 -0.54 0.00 0.00 175.26 174.06 1uw0 n GLY 78 N 5.17 4.04 0.25 -1.50 0.00 -1.26 -2.74 105.19 109.16 1uw0 n GLY 78 Ca -0.12 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.89 1.61 5.08 -1.80 -2.45 115.95 117.50 1uw0 h TRP 79 Ca 0.00 0.00 0.23 0.00 1.08 0.00 0.00 58.89 60.20 1uw0 h TRP 79 Cb 0.00 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.11 1uw0 h TRP 79 CO 0.00 0.09 0.62 1.49 -1.28 0.00 0.00 178.44 179.36 1uw0 h GLU 80 N 0.00 0.17 0.00 0.12 4.81 -1.93 -3.35 114.58 114.40 1uw0 h GLU 80 Ca -0.00 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1uw0 h GLU 80 Cb 0.18 -0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.38 1uw0 h GLU 80 CO 0.01 0.11 -0.20 -1.91 -0.73 0.00 0.00 179.01 176.30 1uw0 n GLU 81 N -4.39 0.88 0.01 1.92 2.13 -1.08 -5.05 120.64 115.07 1uw0 n GLU 81 Ca 0.19 -1.49 -0.00 0.00 0.66 0.00 0.00 57.16 56.52 1uw0 n GLU 81 Cb 0.84 -0.10 -0.00 0.00 0.27 0.00 0.00 31.44 32.45 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 -0.48 0.27 -4.18 4.31 4.77 -0.94 -5.05 117.00 115.69 1uw0 n LEU 82 Ca -0.09 0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 1uw0 n LEU 82 Cb 0.78 -0.12 -0.17 0.00 -2.33 0.00 0.00 43.42 41.59 1uw0 n LEU 82 CO -0.08 -0.55 -0.54 -0.70 -1.33 0.00 0.00 177.39 174.19 1uw0 s GLU 83 N -1.24 2.88 -0.20 3.23 2.56 -1.26 -5.04 118.70 119.63 1uw0 s GLU 83 Ca -0.01 -0.81 -0.22 0.00 0.00 0.00 0.00 54.97 53.94 1uw0 s GLU 83 Cb 0.00 -2.26 -0.19 0.00 2.00 0.00 0.00 34.13 33.69 1uw0 s GLU 83 CO 0.01 0.08 0.23 0.22 -0.56 0.00 0.00 175.26 175.23 1uw0 h ASP 84 N 7.01 0.00 -0.30 -1.70 3.58 -1.97 -3.07 116.42 119.97 1uw0 h ASP 84 Ca -0.26 -0.51 -0.01 0.00 0.42 0.00 0.00 57.03 56.67 1uw0 h ASP 84 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 1uw0 h ASP 84 CO 0.50 1.45 0.14 -1.13 -2.88 0.00 0.00 179.24 177.32 1uw0 h ASN 85 N -1.00 0.40 -0.54 2.28 -1.24 -2.01 -2.29 115.58 111.19 1uw0 h ASN 85 Ca -0.32 -0.13 -0.04 0.00 0.71 0.00 0.00 56.30 56.52 1uw0 h ASN 85 Cb 1.26 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 40.18 1uw0 h ASN 85 CO -0.20 0.42 0.22 -0.33 -1.29 0.00 0.00 177.43 176.25 1uw0 h GLU 86 N 0.35 0.85 -0.96 6.67 4.39 -1.98 -2.39 114.58 121.51 1uw0 h GLU 86 Ca 0.10 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1uw0 h GLU 86 Cb 0.13 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1uw0 h GLU 86 CO -0.01 0.71 0.61 -0.22 -1.16 0.00 0.00 179.01 178.94 1uw0 h LYS 87 N 0.83 1.28 -0.75 2.33 3.64 -1.35 -2.18 116.57 120.38 1uw0 h LYS 87 Ca 0.20 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1uw0 h LYS 87 Cb 0.19 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1uw0 h LYS 87 CO -0.02 0.87 0.41 0.93 -2.27 0.00 0.00 179.45 179.38 1uw0 h GLU 88 N 1.31 1.05 -0.59 1.90 4.39 -0.90 -2.25 114.58 119.49 1uw0 h GLU 88 Ca 0.35 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1uw0 h GLU 88 Cb -0.11 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.31 1uw0 h GLU 88 CO -0.07 0.78 0.33 1.96 -1.16 0.00 0.00 179.01 180.85 1uw0 h GLN 89 N 1.04 0.80 -0.81 2.33 4.20 -1.23 -2.18 115.11 119.26 1uw0 h GLN 89 Ca 0.26 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1uw0 h GLN 89 Cb 0.04 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1uw0 h GLN 89 CO -0.04 0.58 0.53 0.82 -0.67 0.00 0.00 178.83 180.05 1uw0 h ILE 90 N 0.81 1.21 -1.00 2.54 2.04 -1.00 -2.06 117.51 120.05 1uw0 h ILE 90 Ca 0.21 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1uw0 h ILE 90 Cb 0.01 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.06 1uw0 h ILE 90 CO -0.04 0.20 0.66 0.74 0.00 0.00 0.00 178.15 179.72 1uw0 h THR 91 N 1.10 1.24 -0.85 -0.27 2.02 -1.29 -1.81 112.91 113.04 1uw0 h THR 91 Ca 0.29 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1uw0 h THR 91 Cb -0.12 -0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.03 1uw0 h THR 91 CO -0.06 0.24 0.56 1.56 0.37 0.00 0.00 175.52 178.19 1uw0 h GLN 92 N 1.34 1.10 -0.41 6.66 4.20 -1.35 -2.15 115.11 124.49 1uw0 h GLN 92 Ca 0.37 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 59.07 1uw0 h GLN 92 Cb -0.12 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.37 1uw0 h GLN 92 CO -0.09 0.72 0.15 0.45 -0.67 0.00 0.00 178.83 179.40 1uw0 h HIS 93 N 1.13 0.27 -0.68 2.96 3.86 -1.20 0.67 115.15 122.16 1uw0 h HIS 93 Ca 0.32 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.48 1uw0 h HIS 93 Cb -0.09 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1uw0 h HIS 93 CO -0.00 0.11 0.13 0.82 0.86 0.00 0.00 177.93 179.85 1uw0 h ILE 94 N 0.32 1.26 -0.46 2.45 5.03 -1.38 -0.53 117.51 124.20 1uw0 h ILE 94 Ca 0.19 -1.01 -0.13 0.00 -0.12 0.00 0.00 64.86 63.79 1uw0 h ILE 94 Cb 0.17 0.59 -0.01 0.00 -3.03 0.00 0.00 36.82 34.54 1uw0 h ILE 94 CO -0.19 0.38 -0.23 0.00 -0.68 0.00 0.00 178.15 177.44 1uw0 h ALA 95 N 1.09 0.64 -0.73 1.87 0.00 -0.72 -0.66 119.26 120.75 1uw0 h ALA 95 Ca 0.21 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1uw0 h ALA 95 Cb 0.41 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1uw0 h ALA 95 CO 0.01 0.64 0.21 0.22 0.00 0.00 0.00 179.25 180.32 1uw0 h ASP 96 N 0.80 1.08 0.26 0.00 3.58 0.61 -2.04 116.42 120.71 1uw0 h ASP 96 Ca 0.10 -0.22 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 1uw0 h ASP 96 Cb 0.80 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1uw0 h ASP 96 CO 0.07 1.01 -0.55 0.25 -2.88 0.00 0.00 179.24 177.15 1uw0 h LEU 97 N 1.09 0.34 -3.97 2.28 5.85 -0.95 -3.15 115.31 116.79 1uw0 h LEU 97 Ca 0.23 -0.18 -0.66 0.00 0.84 0.00 0.00 57.88 58.11 1uw0 h LEU 97 Cb 0.33 -0.10 -0.31 0.00 0.37 0.00 0.00 40.66 40.96 1uw0 h LEU 97 CO -0.00 0.82 0.65 -0.24 -0.34 0.00 0.00 178.44 179.32 1uw0 n SER 98 N -3.93 7.33 -3.64 1.25 2.88 -0.27 -4.92 113.62 112.33 1uw0 n SER 98 Ca -0.02 -3.78 -0.06 0.00 -1.33 0.00 0.00 58.87 53.67 1uw0 n SER 98 Cb 0.58 -0.89 -0.07 0.00 -0.75 0.00 0.00 64.21 63.08 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 -2.07 -0.68 0.06 -3.46 0.15 -0.80 -4.93 113.70 101.97 1uw0 s SER 99 Ca 0.63 1.13 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1uw0 s SER 99 Cb 0.50 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1uw0 s SER 99 CO -0.01 -0.18 0.00 0.29 1.20 0.00 0.00 173.24 174.54 1uw0 n LYS 100 N 3.62 0.00 -0.97 5.44 4.76 -1.26 -4.77 118.16 124.99 1uw0 n LYS 100 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1uw0 n LYS 100 Cb 0.58 -0.20 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 1uw0 n LYS 100 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uw0 n ALA 101 N -2.96 0.00 -2.56 7.82 0.00 -1.26 -5.18 120.51 116.37 1uw0 n ALA 101 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1uw0 n ALA 101 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1uw0 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uw0 s ALA 102 N -1.83 3.99 -0.32 0.00 0.00 -1.26 -5.05 121.76 117.29 1uw0 s ALA 102 Ca 0.00 -1.26 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 1uw0 s ALA 102 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1uw0 s ALA 102 CO 0.00 -0.19 1.97 0.20 0.00 0.00 0.00 175.76 177.74 1uw0 s GLY 103 N -3.99 0.60 -0.00 0.00 0.00 -1.26 -4.95 107.32 97.72 1uw0 s GLY 103 Ca 0.26 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.30 1uw0 s GLY 103 CO 0.15 3.50 0.06 -0.51 0.00 0.00 0.00 173.10 176.29 1uw0 s THR 104 N 7.78 0.06 -0.99 0.90 -4.23 -1.26 -5.08 115.64 112.82 1uw0 s THR 104 Ca 0.87 -0.51 -0.24 0.00 -1.18 0.00 0.00 61.69 60.63 1uw0 s THR 104 Cb -0.25 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.32 1uw0 s THR 104 CO 0.33 -0.28 1.78 -2.16 -0.54 0.00 0.00 174.62 173.75 1uw0 s PRO 105 N -0.88 2.95 -0.03 3.99 0.04 -1.26 -4.92 135.00 134.88 1uw0 s PRO 105 Ca -0.10 -0.72 -0.05 0.00 0.04 0.00 0.00 61.00 60.18 1uw0 s PRO 105 Cb -0.06 -5.20 0.01 0.00 0.04 0.00 0.00 34.50 29.29 1uw0 s PRO 105 CO 0.00 -3.01 0.12 0.21 0.04 0.00 0.00 177.00 174.36 1uw0 s LYS 106 N 6.18 0.22 0.08 4.56 2.20 -1.26 -5.16 119.74 126.56 1uw0 s LYS 106 Ca 0.62 0.02 0.09 0.00 -0.36 0.00 0.00 55.97 56.34 1uw0 s LYS 106 Cb -0.03 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1uw0 s LYS 106 CO -0.02 -0.04 -0.23 0.15 -0.36 0.00 0.00 175.35 174.85 1uw0 s LYS 107 N -0.29 1.40 0.20 4.03 3.01 -1.26 -5.05 119.74 121.77 1uw0 s LYS 107 Ca -0.04 -1.13 0.00 0.00 -1.01 0.00 0.00 55.97 53.79 1uw0 s LYS 107 Cb -0.03 -1.66 0.00 0.00 -1.01 0.00 0.00 37.83 35.14 1uw0 s LYS 107 CO 0.00 0.41 0.00 1.17 0.51 0.00 0.00 175.35 177.44 1uw0 n LYS 108 N 1.40 0.00 -4.15 1.68 4.81 -1.26 -5.12 118.16 115.53 1uw0 n LYS 108 Ca -0.18 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.11 1uw0 n LYS 108 Cb 0.53 -0.20 -0.13 0.00 0.02 0.00 0.00 35.03 35.24 1uw0 n LYS 108 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uw0 s ALA 109 N -2.00 0.58 0.00 3.14 0.00 -1.26 -5.16 121.76 117.07 1uw0 s ALA 109 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.48 1uw0 s ALA 109 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1uw0 s ALA 109 CO 0.00 0.07 -0.12 0.14 0.00 0.00 0.00 175.76 175.85 1uw0 s VAL 110 N -0.72 0.92 -0.01 0.00 -7.23 -1.26 -5.15 120.40 106.95 1uw0 s VAL 110 Ca -0.03 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1uw0 s VAL 110 Cb -0.06 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 36.11 1uw0 s VAL 110 CO 0.00 0.20 0.02 -0.69 -0.31 0.00 0.00 175.10 174.32 1uw0 s VAL 111 N -0.39 -0.02 0.04 1.32 1.01 -1.26 -5.16 120.40 115.95 1uw0 s VAL 111 Ca 0.04 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1uw0 s VAL 111 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 1uw0 s VAL 111 CO -0.00 0.07 -0.11 0.00 0.00 0.00 0.00 175.10 175.06 1uw0 s GLN 112 N 0.75 0.70 -0.00 2.72 -2.07 -1.26 -5.15 119.66 115.35 1uw0 s GLN 112 Ca -0.06 -0.72 0.08 0.00 -1.82 0.00 0.00 55.36 52.84 1uw0 s GLN 112 Cb -0.09 -0.63 -0.02 0.00 -1.09 0.00 0.00 33.01 31.18 1uw0 s GLN 112 CO -0.02 0.14 -0.25 0.00 -1.32 0.00 0.00 175.29 173.84 1uw0 s ALA 113 N -1.01 2.10 -0.10 2.60 0.00 -1.26 -5.13 121.76 118.95 1uw0 s ALA 113 Ca -0.03 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.83 1uw0 s ALA 113 Cb -0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1uw0 s ALA 113 CO 0.01 0.51 -0.18 0.21 0.00 0.00 0.00 175.76 176.31 1uw0 s LYS 114 N -0.77 3.11 -0.24 0.00 2.20 -1.26 -5.10 119.74 117.68 1uw0 s LYS 114 Ca 0.10 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 1uw0 s LYS 114 Cb -0.10 -2.45 0.05 0.00 -1.51 0.00 0.00 37.83 33.82 1uw0 s LYS 114 CO -0.00 0.26 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.94 1uw0 s LEU 115 N 0.19 3.06 -0.32 5.43 0.20 -1.26 -5.08 118.68 120.90 1uw0 s LEU 115 Ca -0.11 -1.19 0.01 0.00 0.69 0.00 0.00 54.13 53.54 1uw0 s LEU 115 Cb -0.16 -1.52 0.08 0.00 -0.43 0.00 0.00 46.19 44.16 1uw0 s LEU 115 CO 0.06 -0.14 0.01 -0.89 -0.29 0.00 0.00 176.35 175.10 1uw0 s THR 116 N 1.16 2.56 0.00 3.68 2.01 -1.26 -5.39 115.64 118.40 1uw0 s THR 116 Ca -0.05 -1.86 0.00 0.00 0.31 0.00 0.00 61.69 60.09 1uw0 s THR 116 Cb -0.18 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 69.68 1uw0 s THR 116 CO -0.07 -0.32 0.00 0.35 -0.69 0.00 0.00 174.62 173.89