#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 3.52 0.02 -5.12 0.00 -1.26 -4.88 120.51 112.80 1uw0 n ALA 2 Ca 0.00 -4.28 -0.01 0.00 0.00 0.00 0.00 53.44 49.15 1uw0 n ALA 2 Cb 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 0.89 0.05 -4.31 0.00 1.02 -1.26 -5.05 120.64 111.98 1uw0 n GLU 3 Ca 0.27 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 57.13 1uw0 n GLU 3 Cb 0.46 -0.59 -0.11 0.00 -0.02 0.00 0.00 31.44 31.18 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 -2.07 1.98 0.15 3.49 -0.21 -1.26 -4.07 119.66 117.67 1uw0 s GLN 4 Ca -0.03 -1.08 0.08 0.00 0.02 0.00 0.00 55.36 54.35 1uw0 s GLN 4 Cb 0.01 -2.22 -0.04 0.00 1.00 0.00 0.00 33.01 31.76 1uw0 s GLN 4 CO 0.04 0.50 -0.19 0.50 -2.12 0.00 0.00 175.29 174.02 1uw0 s ARG 5 N -2.08 1.22 -0.09 2.91 3.52 -0.49 -4.97 118.95 118.96 1uw0 s ARG 5 Ca 0.19 -1.33 -0.06 0.00 -0.13 0.00 0.00 55.73 54.39 1uw0 s ARG 5 Cb -0.11 -1.33 0.03 0.00 -1.56 0.00 0.00 34.95 31.99 1uw0 s ARG 5 CO 0.11 0.28 0.23 -0.06 -0.81 0.00 0.00 175.30 175.05 1uw0 s PHE 6 N -1.82 -0.28 0.19 5.12 0.08 -1.26 -0.93 117.98 119.08 1uw0 s PHE 6 Ca 0.13 0.67 -0.14 0.00 0.12 0.00 0.00 56.93 57.71 1uw0 s PHE 6 Cb -0.07 0.06 0.01 0.00 -0.57 0.00 0.00 43.02 42.45 1uw0 s PHE 6 CO 0.06 -0.17 0.44 0.00 -0.10 0.00 0.00 175.22 175.45 1uw0 s VAL 8 N -3.92 5.00 -0.06 0.00 -7.23 -1.26 -1.21 120.40 111.72 1uw0 s VAL 8 Ca 0.13 -0.24 -0.02 0.00 -1.81 0.00 0.00 61.98 60.04 1uw0 s VAL 8 Cb 0.00 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 1uw0 s VAL 8 CO -0.01 0.06 0.05 -0.62 -0.31 0.00 0.00 175.10 174.28 1uw0 s ASP 9 N 1.68 5.56 0.10 4.85 2.15 0.32 -4.28 116.67 127.05 1uw0 s ASP 9 Ca 0.06 0.20 0.01 0.00 0.43 0.00 0.00 52.55 53.25 1uw0 s ASP 9 Cb -0.17 -1.62 -0.04 0.00 -0.30 0.00 0.00 42.92 40.79 1uw0 s ASP 9 CO 0.09 0.35 0.23 -0.31 -0.17 0.00 0.00 175.17 175.36 1uw0 s TYR 10 N -1.01 3.48 -0.15 -5.34 2.02 -1.26 -0.61 117.35 114.48 1uw0 s TYR 10 Ca 0.17 0.18 -0.08 0.00 -0.37 0.00 0.00 57.07 56.97 1uw0 s TYR 10 Cb -0.12 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1uw0 s TYR 10 CO 0.06 0.56 0.12 0.00 -1.57 0.00 0.00 175.55 174.72 1uw0 s ALA 11 N -1.61 3.74 -0.03 3.71 0.00 -1.10 -4.95 121.76 121.51 1uw0 s ALA 11 Ca 0.34 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 1uw0 s ALA 11 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 1uw0 s ALA 11 CO 0.28 0.41 -0.10 1.63 0.00 0.00 0.00 175.76 177.98 1uw0 n LYS 12 N 2.68 0.16 -4.17 0.00 5.02 -1.26 -3.03 118.16 117.56 1uw0 n LYS 12 Ca -0.18 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.04 1uw0 n LYS 12 Cb 0.54 -0.78 -0.11 0.00 -0.02 0.00 0.00 35.03 34.66 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 -2.21 0.83 0.02 1.97 0.52 -1.26 -4.41 118.95 114.41 1uw0 s ARG 13 Ca -0.10 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 1uw0 s ARG 13 Cb 0.03 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.05 1uw0 s ARG 13 CO 0.13 0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.92 1uw0 n GLY 14 N 0.46 -2.47 2.97 -3.53 0.00 -1.26 -4.93 105.19 96.42 1uw0 n GLY 14 Ca -0.15 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 1uw0 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uw0 s THR 15 N -2.79 0.24 -0.01 2.61 2.01 -1.26 -4.45 115.64 111.99 1uw0 s THR 15 Ca 0.00 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1uw0 s THR 15 Cb 0.00 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 1uw0 s THR 15 CO 0.00 -0.22 0.03 0.00 -0.69 0.00 0.00 174.62 173.74 1uw0 s ALA 16 N -0.80 -0.06 0.12 7.40 0.00 -1.20 -4.90 121.76 122.32 1uw0 s ALA 16 Ca -0.07 -0.02 -0.33 0.00 0.00 0.00 0.00 51.96 51.54 1uw0 s ALA 16 Cb -0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 23.12 22.92 1uw0 s ALA 16 CO -0.00 -0.04 1.68 0.41 0.00 0.00 0.00 175.76 177.81 1uw0 n GLY 17 N 2.79 1.31 3.67 0.00 0.00 -1.26 -1.42 105.19 110.27 1uw0 n GLY 17 Ca -0.14 0.70 -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 3.62 2.33 -1.07 0.00 -0.14 0.29 -2.88 119.74 121.88 1uw0 s LYS 19 Ca 0.75 1.46 0.00 0.00 -1.36 0.00 0.00 55.97 56.82 1uw0 s LYS 19 Cb -0.36 -1.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.90 1uw0 s LYS 19 CO 0.32 -1.63 0.00 1.17 -0.76 0.00 0.00 175.35 174.45 1uw0 n LYS 20 N -2.91 -1.26 -3.62 1.68 3.00 -1.26 -4.02 118.16 109.77 1uw0 n LYS 20 Ca 0.11 0.81 -0.05 0.00 -0.00 0.00 0.00 58.31 59.18 1uw0 n LYS 20 Cb 0.52 -4.97 -0.05 0.00 0.00 0.00 0.00 35.03 30.53 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 -0.97 3.67 0.10 0.00 2.47 -1.26 -4.36 119.74 119.39 1uw0 s LYS 22 Ca 0.05 -1.71 -0.07 0.00 -1.56 0.00 0.00 55.97 52.68 1uw0 s LYS 22 Cb -0.01 -5.08 0.03 0.00 -1.46 0.00 0.00 37.83 31.31 1uw0 s LYS 22 CO -0.05 -1.91 0.35 -1.91 0.16 0.00 0.00 175.35 172.00 1uw0 n GLU 23 N 7.13 0.32 -4.20 4.03 2.13 -1.26 -5.01 120.64 123.77 1uw0 n GLU 23 Ca 0.29 -0.67 -0.17 0.00 0.66 0.00 0.00 57.16 57.27 1uw0 n GLU 23 Cb 0.49 0.87 -0.11 0.00 0.27 0.00 0.00 31.44 32.95 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 -2.02 0.92 -0.22 5.31 3.01 -1.26 -0.54 119.74 124.93 1uw0 s LYS 24 Ca 0.08 -1.15 -0.06 0.00 -1.01 0.00 0.00 55.97 53.83 1uw0 s LYS 24 Cb -0.01 -0.77 -0.02 0.00 -1.01 0.00 0.00 37.83 36.01 1uw0 s LYS 24 CO 0.03 0.15 0.03 0.42 0.51 0.00 0.00 175.35 176.48 1uw0 s ILE 25 N -2.03 4.07 0.28 2.17 1.01 -0.51 -4.76 121.20 121.43 1uw0 s ILE 25 Ca 0.05 -0.26 0.12 0.00 0.00 0.00 0.00 60.65 60.56 1uw0 s ILE 25 Cb -0.05 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1uw0 s ILE 25 CO 0.02 0.39 -0.19 0.54 0.00 0.00 0.00 174.94 175.70 1uw0 s VAL 26 N 1.27 2.46 0.12 2.92 0.11 -1.26 -3.21 120.40 122.80 1uw0 s VAL 26 Ca 0.04 -2.40 -0.35 0.00 -2.93 0.00 0.00 61.98 56.35 1uw0 s VAL 26 Cb -0.15 -2.32 -0.16 0.00 -1.53 0.00 0.00 36.38 32.22 1uw0 s VAL 26 CO 0.02 -0.39 1.24 2.29 -3.33 0.00 0.00 175.10 174.93 1uw0 n LYS 27 N -0.63 1.09 0.00 1.54 2.85 -1.26 -2.70 118.16 119.05 1uw0 n LYS 27 Ca -0.05 0.39 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 1uw0 n LYS 27 Cb 0.60 -1.96 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 1uw0 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1uw0 n GLY 28 N 2.25 1.01 3.17 2.58 0.00 -1.17 -5.01 105.19 108.03 1uw0 n GLY 28 Ca 0.17 0.00 -0.27 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 1.54 -0.10 1.61 0.11 -1.10 -5.03 120.40 115.43 1uw0 s VAL 29 Ca 0.00 -0.80 -0.15 0.00 -2.93 0.00 0.00 61.98 58.10 1uw0 s VAL 29 Cb 0.00 -1.30 -0.05 0.00 -1.53 0.00 0.00 36.38 33.50 1uw0 s VAL 29 CO 0.00 0.44 0.37 0.00 -3.33 0.00 0.00 175.10 172.57 1uw0 s ARG 31 N -0.02 1.05 -0.23 0.00 3.03 0.22 -4.32 118.95 118.69 1uw0 s ARG 31 Ca 0.21 -1.01 -0.08 0.00 2.03 0.00 0.00 55.73 56.88 1uw0 s ARG 31 Cb -0.15 -1.19 -0.04 0.00 -1.03 0.00 0.00 34.95 32.55 1uw0 s ARG 31 CO 0.08 0.28 0.08 0.42 -1.13 0.00 0.00 175.30 175.04 1uw0 s ILE 32 N -1.09 4.63 -0.02 4.99 1.01 -1.02 0.12 121.20 129.82 1uw0 s ILE 32 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 1uw0 s ILE 32 Cb -0.09 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1uw0 s ILE 32 CO 0.03 0.37 0.04 -0.83 0.00 0.00 0.00 174.94 174.55 1uw0 s GLY 33 N 1.15 1.94 -0.27 6.18 0.00 -0.35 -3.56 107.32 112.41 1uw0 s GLY 33 Ca 0.05 -0.88 -0.06 0.00 0.00 0.00 0.00 44.72 43.82 1uw0 s GLY 33 CO 0.04 -0.73 0.06 1.25 0.00 0.00 0.00 173.10 173.71 1uw0 s LYS 34 N -1.48 3.30 -0.44 2.90 2.20 -1.25 -1.91 119.74 123.06 1uw0 s LYS 34 Ca 0.19 -0.71 -0.18 0.00 -0.36 0.00 0.00 55.97 54.92 1uw0 s LYS 34 Cb -0.12 -3.29 0.03 0.00 -1.51 0.00 0.00 37.83 32.94 1uw0 s LYS 34 CO 0.10 -0.33 0.48 0.08 -0.36 0.00 0.00 175.35 175.32 1uw0 s VAL 35 N 1.53 5.05 0.03 4.02 1.01 -0.11 -3.99 120.40 127.93 1uw0 s VAL 35 Ca 0.04 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1uw0 s VAL 35 Cb -0.16 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1uw0 s VAL 35 CO 0.02 -0.52 -0.22 0.54 0.00 0.00 0.00 175.10 174.92 1uw0 s VAL 36 N 2.20 1.74 0.34 2.92 0.11 -0.68 -1.40 120.40 125.65 1uw0 s VAL 36 Ca 0.12 -1.15 -0.26 0.00 -2.93 0.00 0.00 61.98 57.76 1uw0 s VAL 36 Cb -0.18 -1.49 -0.09 0.00 -1.53 0.00 0.00 36.38 33.08 1uw0 s VAL 36 CO 0.13 0.31 1.03 -2.16 -3.33 0.00 0.00 175.10 171.08 1uw0 s PRO 37 N -1.00 4.41 -0.25 1.54 0.04 -1.26 -0.50 135.00 137.99 1uw0 s PRO 37 Ca 0.08 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 1uw0 s PRO 37 Cb -0.09 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 1uw0 s PRO 37 CO 0.01 0.07 0.11 -0.80 0.04 0.00 0.00 177.00 176.43 1uw0 s ASN 38 N -1.38 5.52 -1.20 6.66 -0.87 -1.24 -4.90 114.94 117.55 1uw0 s ASN 38 Ca 0.52 -0.09 -0.21 0.00 -1.57 0.00 0.00 52.86 51.50 1uw0 s ASN 38 Cb -0.24 -2.00 -0.06 0.00 -0.02 0.00 0.00 41.25 38.93 1uw0 s ASN 38 CO 0.31 -0.01 1.89 -0.81 -2.57 0.00 0.00 177.10 175.91 1uw0 n PRO 39 N 4.76 1.97 0.15 -0.60 -0.04 -1.26 -4.19 135.00 135.80 1uw0 n PRO 39 Ca -0.15 -2.62 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1uw0 n PRO 39 Cb 0.52 -3.64 0.00 0.00 -0.04 0.00 0.00 33.50 30.34 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 12.62 -2.90 -3.53 0.54 -0.00 -1.26 -5.12 117.46 117.80 1uw0 n PHE 40 Ca 0.46 0.70 -0.25 0.00 -0.00 0.00 0.00 57.45 58.36 1uw0 n PHE 40 Cb 0.46 1.45 -0.02 0.00 -0.00 0.00 0.00 39.48 41.37 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 -4.17 6.34 -0.15 -2.13 0.01 -1.26 -5.03 113.70 107.31 1uw0 s SER 41 Ca 0.00 0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.73 1uw0 s SER 41 Cb 0.00 -2.02 -0.23 0.00 0.21 0.00 0.00 66.02 63.98 1uw0 s SER 41 CO 0.00 -0.19 0.25 -0.62 0.41 0.00 0.00 173.24 173.09 1uw0 n GLU 42 N -1.35 0.69 -0.28 12.44 4.71 -1.26 -4.28 120.64 131.30 1uw0 n GLU 42 Ca -0.05 0.19 0.10 0.00 -0.01 0.00 0.00 57.16 57.40 1uw0 n GLU 42 Cb 0.55 -1.65 0.34 0.00 -1.01 0.00 0.00 31.44 29.68 1uw0 n GLU 42 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1uw0 h SER 43 N 0.02 0.72 -3.56 1.62 0.02 -2.02 -3.48 113.55 106.88 1uw0 h SER 43 Ca -0.45 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1uw0 h SER 43 Cb 2.04 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.48 1uw0 h SER 43 CO 0.03 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 1uw0 n GLY 44 N -1.42 0.64 0.00 -3.77 0.00 -1.26 -5.17 105.19 94.21 1uw0 n GLY 44 Ca 0.17 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.26 4.63 3.14 -0.02 0.00 -1.26 -4.81 105.19 105.62 1uw0 n GLY 45 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 1.39 -0.12 1.61 1.47 -1.26 -3.59 116.67 116.17 1uw0 s ASP 46 Ca 0.00 -0.65 -0.00 0.00 1.18 0.00 0.00 52.55 53.08 1uw0 s ASP 46 Cb 0.00 -0.01 -0.02 0.00 -0.34 0.00 0.00 42.92 42.55 1uw0 s ASP 46 CO 0.00 -0.16 -0.12 -0.32 0.68 0.00 0.00 175.17 175.25 1uw0 s MET 47 N -1.97 3.33 -0.01 2.11 1.75 0.35 -4.92 119.30 119.93 1uw0 s MET 47 Ca -0.02 -0.67 0.00 0.00 -1.25 0.00 0.00 55.69 53.75 1uw0 s MET 47 Cb -0.08 -2.63 0.01 0.00 2.84 0.00 0.00 34.83 34.96 1uw0 s MET 47 CO 0.01 0.26 -0.00 -1.59 -0.65 0.00 0.00 175.02 173.05 1uw0 s LYS 48 N 0.24 0.09 0.17 4.11 -2.85 -1.26 -1.68 119.74 118.56 1uw0 s LYS 48 Ca -0.08 0.02 0.10 0.00 -1.00 0.00 0.00 55.97 55.01 1uw0 s LYS 48 Cb -0.15 -0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.41 1uw0 s LYS 48 CO 0.05 -0.03 -0.22 -1.21 0.10 0.00 0.00 175.35 174.03 1uw0 s GLU 49 N 0.32 1.38 -0.31 1.78 8.01 -1.26 -4.93 118.70 123.70 1uw0 s GLU 49 Ca -0.03 -1.43 -0.08 0.00 0.01 0.00 0.00 54.97 53.45 1uw0 s GLU 49 Cb -0.05 -1.65 0.01 0.00 -4.31 0.00 0.00 34.13 28.14 1uw0 s GLU 49 CO -0.01 0.36 0.10 -1.58 0.01 0.00 0.00 175.26 174.14 1uw0 s TRP 50 N -1.64 3.17 0.39 1.61 0.23 -1.26 -3.76 118.94 117.67 1uw0 s TRP 50 Ca 0.17 -0.96 0.05 0.00 -2.03 0.00 0.00 56.10 53.33 1uw0 s TRP 50 Cb -0.08 -2.29 -0.06 0.00 0.03 0.00 0.00 33.47 31.07 1uw0 s TRP 50 CO 0.08 -0.58 0.03 1.52 0.96 0.00 0.00 176.95 178.96 1uw0 s TYR 51 N 1.51 2.22 0.45 -1.98 1.13 -1.23 0.11 117.35 119.55 1uw0 s TYR 51 Ca 0.02 -0.83 -0.04 0.00 -1.41 0.00 0.00 57.07 54.81 1uw0 s TYR 51 Cb -0.18 -1.56 0.10 0.00 -1.10 0.00 0.00 41.96 39.22 1uw0 s TYR 51 CO 0.03 0.23 0.61 0.72 -2.51 0.00 0.00 175.55 174.64 1uw0 n HIS 52 N -0.90 -3.54 -0.04 -3.49 8.25 -1.26 -2.43 115.22 111.81 1uw0 n HIS 52 Ca -0.06 -0.80 -0.20 0.00 -0.26 0.00 0.00 57.72 56.41 1uw0 n HIS 52 Cb 0.67 -0.46 -0.13 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.92 1.21 -0.70 1.59 1.08 -1.98 -2.68 117.51 115.12 1uw0 h ILE 53 Ca -0.20 -2.33 -0.07 0.00 -0.39 0.00 0.00 64.86 61.86 1uw0 h ILE 53 Cb 0.64 2.76 -0.03 0.00 -3.07 0.00 0.00 36.82 37.13 1uw0 h ILE 53 CO 0.18 0.57 0.15 0.50 -0.69 0.00 0.00 178.15 178.85 1uw0 h LYS 54 N -0.67 1.14 -0.35 2.37 3.64 -1.95 0.51 116.57 121.25 1uw0 h LYS 54 Ca -0.23 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1uw0 h LYS 54 Cb 1.44 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 1uw0 h LYS 54 CO -0.03 1.02 0.18 0.00 -2.27 0.00 0.00 179.45 178.35 1uw0 h MET 56 N 0.44 0.31 0.00 0.00 1.85 -1.20 0.14 114.93 116.46 1uw0 h MET 56 Ca 0.12 -0.17 -0.07 0.00 -0.61 0.00 0.00 59.70 58.97 1uw0 h MET 56 Cb 0.10 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1uw0 h MET 56 CO -0.02 0.73 -0.32 0.74 -0.40 0.00 0.00 176.91 177.64 1uw0 h PHE 57 N -0.09 0.00 0.04 1.39 0.04 0.12 0.17 116.94 118.62 1uw0 h PHE 57 Ca 0.02 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.58 1uw0 h PHE 57 Cb 0.68 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.85 1uw0 h PHE 57 CO 0.09 0.32 -0.83 0.93 -0.60 0.00 0.00 178.31 178.22 1uw0 h GLU 58 N 0.00 0.49 -0.57 1.51 4.39 0.88 -2.85 114.58 118.43 1uw0 h GLU 58 Ca -0.00 -0.58 -0.11 0.00 0.34 0.00 0.00 59.36 59.01 1uw0 h GLU 58 Cb 0.60 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1uw0 h GLU 58 CO 0.04 1.22 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.82 1uw0 h LYS 59 N 0.02 1.04 -0.91 2.33 1.63 -0.78 -2.69 116.57 117.21 1uw0 h LYS 59 Ca -0.12 -0.36 0.09 0.00 -0.85 0.00 0.00 60.65 59.41 1uw0 h LYS 59 Cb 1.54 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 33.02 1uw0 h LYS 59 CO 0.16 1.06 0.56 1.25 -3.45 0.00 0.00 179.45 179.02 1uw0 h LEU 60 N 0.93 0.84 -1.52 5.20 5.85 -0.70 0.16 115.31 126.08 1uw0 h LEU 60 Ca 0.15 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1uw0 h LEU 60 Cb 0.63 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1uw0 h LEU 60 CO 0.04 0.49 0.33 -0.08 -0.34 0.00 0.00 178.44 178.89 1uw0 h GLU 61 N 0.95 0.64 -0.65 1.25 4.81 -1.23 -2.19 114.58 118.16 1uw0 h GLU 61 Ca 0.43 -0.04 -0.38 0.00 -0.13 0.00 0.00 59.36 59.24 1uw0 h GLU 61 Cb 0.33 -0.14 -0.22 0.00 0.63 0.00 0.00 28.75 29.34 1uw0 h GLU 61 CO -0.23 0.42 0.15 0.54 -0.73 0.00 0.00 179.01 179.16 1uw0 n ARG 62 N -4.46 2.26 -2.67 1.92 1.74 0.23 -5.02 116.66 110.66 1uw0 n ARG 62 Ca 0.05 -3.28 -0.22 0.00 -0.77 0.00 0.00 57.85 53.63 1uw0 n ARG 62 Cb 0.07 -2.03 0.03 0.00 -1.02 0.00 0.00 32.46 29.52 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 -3.39 3.82 0.82 7.54 0.00 0.31 -5.00 121.76 125.85 1uw0 s ALA 63 Ca 0.51 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 1uw0 s ALA 63 Cb 0.44 -2.13 0.09 0.00 0.00 0.00 0.00 23.12 21.52 1uw0 s ALA 63 CO 0.03 -0.72 1.16 1.03 0.00 0.00 0.00 175.76 177.26 1uw0 s ARG 64 N -4.76 1.67 0.44 0.00 0.52 -1.26 -4.89 118.95 110.67 1uw0 s ARG 64 Ca 0.56 1.58 0.12 0.00 -0.52 0.00 0.00 55.73 57.46 1uw0 s ARG 64 Cb -0.10 -1.80 1.00 0.00 0.52 0.00 0.00 34.95 34.57 1uw0 s ARG 64 CO 0.39 -2.15 2.02 0.00 0.02 0.00 0.00 175.30 175.58 1uw0 h ALA 65 N -1.11 1.92 -0.77 2.13 0.00 -1.99 -2.87 119.26 116.58 1uw0 h ALA 65 Ca -0.45 -0.02 -0.72 0.00 0.00 0.00 0.00 54.91 53.73 1uw0 h ALA 65 Cb 1.27 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 1uw0 h ALA 65 CO 0.46 -0.01 1.69 0.25 0.00 0.00 0.00 179.25 181.65 1uw0 n THR 66 N -4.47 5.01 -4.40 0.00 -2.24 -1.26 -4.95 114.28 101.96 1uw0 n THR 66 Ca 0.06 -4.45 -0.25 0.00 -2.27 0.00 0.00 64.05 57.15 1uw0 n THR 66 Cb 0.25 -1.83 -0.09 0.00 -2.10 0.00 0.00 70.33 66.56 1uw0 n THR 66 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uw0 s THR 67 N -2.26 2.63 -0.15 4.28 -4.23 -1.09 -5.12 115.64 109.71 1uw0 s THR 67 Ca 0.52 -2.11 -0.15 0.00 -1.18 0.00 0.00 61.69 58.77 1uw0 s THR 67 Cb 0.24 -2.66 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 1uw0 s THR 67 CO -0.14 -0.27 0.33 -0.75 -0.54 0.00 0.00 174.62 173.24 1uw0 s LYS 68 N -3.64 4.24 0.25 3.99 2.20 -1.26 -5.07 119.74 120.45 1uw0 s LYS 68 Ca 0.33 0.17 0.09 0.00 -0.36 0.00 0.00 55.97 56.20 1uw0 s LYS 68 Cb -0.02 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1uw0 s LYS 68 CO 0.18 0.25 -0.01 0.15 -0.36 0.00 0.00 175.35 175.56 1uw0 s LYS 69 N 0.41 2.28 -0.22 4.03 1.02 -1.26 -5.05 119.74 120.95 1uw0 s LYS 69 Ca 0.18 -1.39 -0.04 0.00 0.02 0.00 0.00 55.97 54.74 1uw0 s LYS 69 Cb -0.13 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1uw0 s LYS 69 CO 0.05 0.38 -0.03 0.42 -0.92 0.00 0.00 175.35 175.25 1uw0 s ILE 70 N -2.24 3.46 0.15 2.17 1.01 -1.26 -5.11 121.20 119.39 1uw0 s ILE 70 Ca 0.31 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.58 1uw0 s ILE 70 Cb -0.07 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1uw0 s ILE 70 CO 0.19 0.42 -0.10 -0.70 0.00 0.00 0.00 174.94 174.75 1uw0 s GLU 71 N 1.47 2.06 1.59 2.79 2.12 -1.26 -5.00 118.70 122.47 1uw0 s GLU 71 Ca 0.06 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.20 1uw0 s GLU 71 Cb -0.14 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.05 1uw0 s GLU 71 CO -0.02 0.46 0.00 -3.47 -0.54 0.00 0.00 175.26 171.68 1uw0 n ASP 72 N 0.29 -2.94 -0.53 -1.70 -0.08 -1.26 -4.96 116.55 105.38 1uw0 n ASP 72 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1uw0 n ASP 72 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 0.00 -4.16 -2.67 7.94 -1.26 -4.91 117.00 111.95 1uw0 n LEU 73 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 1uw0 n LEU 73 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1uw0 n LEU 73 CO 0.00 0.00 -0.11 0.35 -1.11 0.00 0.00 177.39 176.52 1uw0 n THR 74 N 0.00 -1.58 -0.02 1.96 -2.24 -1.26 -4.85 114.28 106.29 1uw0 n THR 74 Ca 0.00 -0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 1uw0 n THR 74 Cb 0.00 -1.92 -0.02 0.00 -2.10 0.00 0.00 70.33 66.29 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 -4.40 0.18 -3.04 -0.78 4.07 -1.26 -4.94 120.64 110.47 1uw0 n GLU 75 Ca -0.05 0.08 -0.16 0.00 -0.06 0.00 0.00 57.16 56.96 1uw0 n GLU 75 Cb 0.55 -0.81 -0.00 0.00 -0.06 0.00 0.00 31.44 31.12 1uw0 n GLU 75 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1uw0 n LEU 76 N -3.65 -0.43 -3.82 4.31 -0.00 -1.26 -5.11 117.00 107.03 1uw0 n LEU 76 Ca -0.10 -4.46 -0.12 0.00 -0.00 0.00 0.00 56.01 51.32 1uw0 n LEU 76 Cb 0.36 0.76 -0.12 0.00 -0.00 0.00 0.00 43.42 44.42 1uw0 n LEU 76 CO 0.04 2.16 -0.19 -1.83 -0.00 0.00 0.00 177.39 177.58 1uw0 s GLU 77 N -1.21 0.22 -1.45 1.47 -1.05 -1.26 -3.59 118.70 111.83 1uw0 s GLU 77 Ca 0.34 0.14 -0.13 0.00 -0.15 0.00 0.00 54.97 55.17 1uw0 s GLU 77 Cb 0.28 0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 1uw0 s GLU 77 CO -0.10 -0.03 2.46 0.41 0.95 0.00 0.00 175.26 178.94 1uw0 n GLY 78 N 2.80 4.20 0.13 -3.83 0.00 -1.26 -4.52 105.19 102.71 1uw0 n GLY 78 Ca -0.14 -1.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 1uw0 n GLY 78 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1uw0 n TRP 79 N 5.25 1.17 0.27 1.61 4.27 -1.26 -3.06 117.44 125.69 1uw0 n TRP 79 Ca 0.61 0.26 0.14 0.00 -3.89 0.00 0.00 57.50 54.61 1uw0 n TRP 79 Cb 0.33 -1.16 0.76 0.00 -1.36 0.00 0.00 31.31 29.88 1uw0 n TRP 79 CO 0.00 0.00 0.00 1.49 -2.29 0.00 0.00 177.69 176.89 1uw0 h GLU 80 N 0.06 0.00 0.00 -2.67 4.81 -1.79 -2.86 114.58 112.13 1uw0 h GLU 80 Ca -0.42 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.48 1uw0 h GLU 80 Cb 2.03 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.35 1uw0 h GLU 80 CO 0.08 0.10 -2.09 -1.91 -0.73 0.00 0.00 179.01 174.46 1uw0 n GLU 81 N -3.57 0.66 0.00 1.92 2.13 -1.26 -4.82 120.64 115.71 1uw0 n GLU 81 Ca -0.02 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1uw0 n GLU 81 Cb 0.23 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.31 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 -2.85 0.77 -4.12 4.31 4.77 -1.16 -5.02 117.00 113.69 1uw0 n LEU 82 Ca -0.25 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.46 1uw0 n LEU 82 Cb 1.09 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 42.01 1uw0 n LEU 82 CO 0.44 -0.01 -0.51 -1.61 -1.33 0.00 0.00 177.39 174.37 1uw0 s GLU 83 N -0.02 2.04 -0.14 3.23 2.02 -1.09 -5.03 118.70 119.71 1uw0 s GLU 83 Ca 0.00 -0.61 -0.13 0.00 0.02 0.00 0.00 54.97 54.24 1uw0 s GLU 83 Cb 0.00 -1.68 -0.24 0.00 0.10 0.00 0.00 34.13 32.31 1uw0 s GLU 83 CO 0.00 0.17 0.37 -0.44 0.02 0.00 0.00 175.26 175.38 1uw0 h ASP 84 N 6.55 0.28 -0.79 -0.19 3.32 -1.90 -3.31 116.42 120.39 1uw0 h ASP 84 Ca -0.29 -0.79 -0.02 0.00 0.02 0.00 0.00 57.03 55.94 1uw0 h ASP 84 Cb 1.19 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1uw0 h ASP 84 CO 0.47 1.69 0.41 0.78 -1.72 0.00 0.00 179.24 180.87 1uw0 h ASN 85 N -0.34 1.02 -0.95 6.45 4.21 -1.96 -2.15 115.58 121.86 1uw0 h ASN 85 Ca -0.37 -0.12 0.09 0.00 1.21 0.00 0.00 56.30 57.11 1uw0 h ASN 85 Cb 1.75 -0.26 -0.07 0.00 -1.12 0.00 0.00 38.32 38.62 1uw0 h ASN 85 CO -0.01 0.85 0.61 -0.33 -1.29 0.00 0.00 177.43 177.26 1uw0 h GLU 86 N 1.11 0.96 -0.90 0.81 4.39 -1.97 -0.60 114.58 118.38 1uw0 h GLU 86 Ca 0.28 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 60.03 1uw0 h GLU 86 Cb 0.08 -0.22 -0.07 0.00 -0.10 0.00 0.00 28.75 28.44 1uw0 h GLU 86 CO -0.04 0.64 0.58 -0.22 -1.16 0.00 0.00 179.01 178.81 1uw0 h LYS 87 N 0.99 0.84 -0.54 2.33 3.64 -1.47 -1.23 116.57 121.13 1uw0 h LYS 87 Ca 0.44 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1uw0 h LYS 87 Cb 0.36 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1uw0 h LYS 87 CO -0.19 0.56 0.30 1.49 -2.27 0.00 0.00 179.45 179.34 1uw0 h GLU 88 N 0.87 0.74 -0.68 1.90 4.81 -1.09 -2.19 114.58 118.94 1uw0 h GLU 88 Ca 0.43 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 1uw0 h GLU 88 Cb 0.47 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1uw0 h GLU 88 CO -0.19 0.57 0.19 1.96 -0.73 0.00 0.00 179.01 180.80 1uw0 h GLN 89 N 0.72 1.06 -0.47 1.92 4.20 -1.18 -2.43 115.11 118.93 1uw0 h GLN 89 Ca 0.19 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1uw0 h GLN 89 Cb 0.03 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1uw0 h GLN 89 CO -0.03 0.92 0.23 0.82 -0.67 0.00 0.00 178.83 180.10 1uw0 h ILE 90 N 1.02 1.16 -0.86 2.54 2.04 -0.92 -1.98 117.51 120.50 1uw0 h ILE 90 Ca 0.22 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1uw0 h ILE 90 Cb 0.32 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1uw0 h ILE 90 CO -0.00 0.18 0.52 0.74 0.00 0.00 0.00 178.15 179.59 1uw0 h THR 91 N 0.66 1.24 -0.90 -0.27 2.02 -0.90 -2.03 112.91 112.72 1uw0 h THR 91 Ca 0.17 -0.51 0.07 0.00 0.77 0.00 0.00 66.41 66.91 1uw0 h THR 91 Cb 0.06 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.43 1uw0 h THR 91 CO -0.02 0.25 0.59 1.56 0.37 0.00 0.00 175.52 178.26 1uw0 h GLN 92 N 1.18 0.97 -0.78 6.66 4.20 -1.29 -1.89 115.11 124.16 1uw0 h GLN 92 Ca 0.31 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 59.08 1uw0 h GLN 92 Cb -0.06 -0.22 -0.09 0.00 0.30 0.00 0.00 27.48 27.42 1uw0 h GLN 92 CO -0.06 0.64 0.38 0.45 -0.67 0.00 0.00 178.83 179.57 1uw0 h HIS 93 N 1.00 0.67 -0.60 2.96 3.86 -1.34 -0.19 115.15 121.52 1uw0 h HIS 93 Ca 0.39 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.55 1uw0 h HIS 93 Cb 0.24 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1uw0 h HIS 93 CO -0.00 0.18 0.02 0.82 0.86 0.00 0.00 177.93 179.81 1uw0 h ILE 94 N 0.58 1.26 -0.64 2.45 5.03 -1.40 -1.97 117.51 122.83 1uw0 h ILE 94 Ca 0.41 -1.11 -0.02 0.00 -0.12 0.00 0.00 64.86 64.02 1uw0 h ILE 94 Cb 0.53 0.80 -0.03 0.00 -3.03 0.00 0.00 36.82 35.09 1uw0 h ILE 94 CO -0.33 0.40 0.33 0.00 -0.68 0.00 0.00 178.15 177.87 1uw0 h ALA 95 N 0.99 1.39 -0.26 1.87 0.00 -0.87 0.36 119.26 122.74 1uw0 h ALA 95 Ca 0.17 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1uw0 h ALA 95 Cb 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1uw0 h ALA 95 CO 0.03 0.50 -0.49 -0.44 0.00 0.00 0.00 179.25 178.84 1uw0 h ASP 96 N 0.89 0.78 0.84 0.00 3.32 -0.77 0.81 116.42 122.29 1uw0 h ASP 96 Ca 0.22 -0.39 -0.23 0.00 0.02 0.00 0.00 57.03 56.65 1uw0 h ASP 96 Cb 0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1uw0 h ASP 96 CO -0.03 1.13 -1.08 0.25 -1.72 0.00 0.00 179.24 177.79 1uw0 h LEU 97 N 0.56 0.17 0.10 1.55 5.85 -0.90 -3.37 115.31 119.27 1uw0 h LEU 97 Ca 0.03 -0.18 -0.37 0.00 0.84 0.00 0.00 57.88 58.20 1uw0 h LEU 97 Cb 1.05 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1uw0 h LEU 97 CO 0.10 1.13 -2.07 -1.20 -0.34 0.00 0.00 178.44 176.06 1uw0 n SER 98 N -3.44 2.03 -4.18 1.25 7.64 0.12 -4.82 113.62 112.22 1uw0 n SER 98 Ca -0.03 0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.66 1uw0 n SER 98 Cb 0.96 -0.74 -0.14 0.00 -1.01 0.00 0.00 64.21 63.28 1uw0 n SER 98 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uw0 s SER 99 N -6.90 4.39 0.04 6.43 0.01 0.28 -4.70 113.70 113.25 1uw0 s SER 99 Ca -0.24 -0.98 -0.02 0.00 1.31 0.00 0.00 55.95 56.02 1uw0 s SER 99 Cb 0.07 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1uw0 s SER 99 CO 0.74 -0.15 -0.04 0.29 0.41 0.00 0.00 173.24 174.49 1uw0 n LYS 100 N 4.64 0.06 0.03 12.44 5.02 -1.26 -4.03 118.16 135.06 1uw0 n LYS 100 Ca -0.16 0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.15 1uw0 n LYS 100 Cb 0.46 -0.61 -0.00 0.00 -0.02 0.00 0.00 35.03 34.86 1uw0 n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uw0 n ALA 101 N -3.50 2.66 -2.48 7.82 0.00 -1.26 -4.90 120.51 118.85 1uw0 n ALA 101 Ca -0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 1uw0 n ALA 101 Cb 0.18 0.19 0.03 0.00 0.00 0.00 0.00 19.45 19.85 1uw0 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uw0 n ALA 102 N -3.52 3.96 -3.10 0.00 0.00 -1.26 -5.00 120.51 111.59 1uw0 n ALA 102 Ca -0.02 -3.43 -0.45 0.00 0.00 0.00 0.00 53.44 49.54 1uw0 n ALA 102 Cb 0.07 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 1uw0 n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1uw0 s GLY 103 N -3.57 2.15 -0.62 0.00 0.00 -1.26 -4.91 107.32 99.10 1uw0 s GLY 103 Ca 0.39 -2.85 0.06 0.00 0.00 0.00 0.00 44.72 42.31 1uw0 s GLY 103 CO -0.03 1.67 0.81 -1.30 0.00 0.00 0.00 173.10 174.25 1uw0 n THR 104 N 4.98 2.52 -0.04 0.90 -2.24 -1.26 -4.58 114.28 114.56 1uw0 n THR 104 Ca 0.14 -5.31 -0.16 0.00 -2.27 0.00 0.00 64.05 56.45 1uw0 n THR 104 Cb 0.47 -1.88 -0.08 0.00 -2.10 0.00 0.00 70.33 66.75 1uw0 n THR 104 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1uw0 h PRO 105 N 3.80 0.57 -6.20 -0.78 0.13 -1.95 -3.44 132.00 124.13 1uw0 h PRO 105 Ca 0.18 -0.43 -0.69 0.00 -0.87 0.00 0.00 66.00 64.18 1uw0 h PRO 105 Cb 0.62 0.08 -0.29 0.00 0.13 0.00 0.00 31.00 31.54 1uw0 h PRO 105 CO 0.83 1.06 -0.85 0.15 -0.23 0.00 0.00 178.00 178.95 1uw0 s LYS 106 N -3.78 2.48 0.02 0.86 1.02 -1.26 -5.03 119.74 114.04 1uw0 s LYS 106 Ca -0.12 -0.85 -0.03 0.00 0.02 0.00 0.00 55.97 54.99 1uw0 s LYS 106 Cb 0.06 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 1uw0 s LYS 106 CO 0.83 0.47 -0.06 1.17 -0.92 0.00 0.00 175.35 176.85 1uw0 n LYS 107 N 2.71 0.09 -2.70 1.68 4.81 -1.26 -4.89 118.16 118.59 1uw0 n LYS 107 Ca -0.17 0.04 -0.20 0.00 -0.87 0.00 0.00 58.31 57.11 1uw0 n LYS 107 Cb 0.52 -0.65 -0.00 0.00 0.02 0.00 0.00 35.03 34.92 1uw0 n LYS 107 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1uw0 n LYS 108 N -3.49 2.33 -3.94 1.64 4.81 -1.26 -5.03 118.16 113.22 1uw0 n LYS 108 Ca -0.04 -4.01 -0.33 0.00 -0.87 0.00 0.00 58.31 53.05 1uw0 n LYS 108 Cb 0.25 -1.85 -0.14 0.00 0.02 0.00 0.00 35.03 33.31 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 -3.25 2.86 0.06 3.14 0.00 -1.26 -5.10 121.76 118.22 1uw0 s ALA 109 Ca 0.40 -2.16 0.05 0.00 0.00 0.00 0.00 51.96 50.26 1uw0 s ALA 109 Cb 0.39 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 1uw0 s ALA 109 CO -0.09 -1.49 -0.15 0.08 0.00 0.00 0.00 175.76 174.11 1uw0 s VAL 110 N 1.10 1.17 0.01 0.00 1.01 -1.26 -5.11 120.40 117.31 1uw0 s VAL 110 Ca 0.02 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.82 1uw0 s VAL 110 Cb -0.20 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1uw0 s VAL 110 CO -0.05 -0.11 -0.06 0.54 0.00 0.00 0.00 175.10 175.43 1uw0 s VAL 111 N -1.08 0.44 -0.06 2.92 0.11 -1.26 -5.15 120.40 116.32 1uw0 s VAL 111 Ca 0.00 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1uw0 s VAL 111 Cb -0.09 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1uw0 s VAL 111 CO 0.02 -0.05 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.08 1uw0 s GLN 112 N -0.59 1.34 -0.25 1.54 0.74 -1.26 -5.12 119.66 116.07 1uw0 s GLN 112 Ca -0.02 -0.27 -0.00 0.00 0.05 0.00 0.00 55.36 55.12 1uw0 s GLN 112 Cb -0.05 -1.22 0.07 0.00 1.10 0.00 0.00 33.01 32.92 1uw0 s GLN 112 CO -0.00 -0.06 0.01 0.00 -0.55 0.00 0.00 175.29 174.69 1uw0 s ALA 113 N 0.93 1.64 -0.24 1.58 0.00 -1.26 -5.10 121.76 119.32 1uw0 s ALA 113 Ca -0.10 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.58 1uw0 s ALA 113 Cb -0.15 -1.43 0.05 0.00 0.00 0.00 0.00 23.12 21.59 1uw0 s ALA 113 CO 0.01 -1.32 -0.12 0.21 0.00 0.00 0.00 175.76 174.53 1uw0 s LYS 114 N 1.55 2.29 -0.06 0.00 2.20 -1.26 -5.11 119.74 119.35 1uw0 s LYS 114 Ca 0.00 -1.16 0.04 0.00 -0.36 0.00 0.00 55.97 54.48 1uw0 s LYS 114 Cb -0.18 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 1uw0 s LYS 114 CO -0.11 -0.49 -0.17 -0.51 -0.36 0.00 0.00 175.35 173.70 1uw0 s LEU 115 N 1.20 1.88 -0.15 5.43 1.43 -1.26 -5.12 118.68 122.09 1uw0 s LEU 115 Ca -0.05 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1uw0 s LEU 115 Cb -0.18 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.05 1uw0 s LEU 115 CO -0.07 0.13 -0.04 0.42 0.23 0.00 0.00 176.35 177.02 1uw0 s THR 116 N 0.25 0.92 -0.21 5.49 -4.23 -1.26 -5.38 115.64 111.23 1uw0 s THR 116 Ca -0.09 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 1uw0 s THR 116 Cb -0.14 -1.12 0.01 0.00 1.34 0.00 0.00 72.50 72.59 1uw0 s THR 116 CO 0.04 0.13 0.55 0.41 -0.54 0.00 0.00 174.62 175.22