#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 2.41 -0.44 3.04 0.00 -1.26 -5.07 121.76 120.43 1uw0 s ALA 2 Ca 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1uw0 s ALA 2 Cb 0.00 -1.28 0.12 0.00 0.00 0.00 0.00 23.12 21.96 1uw0 s ALA 2 CO 0.00 -0.43 0.20 -2.00 0.00 0.00 0.00 175.76 173.53 1uw0 s GLU 3 N 1.30 1.56 0.19 0.00 2.12 -1.26 -5.04 118.70 117.56 1uw0 s GLU 3 Ca 0.04 -2.16 0.07 0.00 0.36 0.00 0.00 54.97 53.28 1uw0 s GLU 3 Cb -0.14 -2.86 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 1uw0 s GLU 3 CO -0.11 -1.09 -0.14 -0.65 -0.54 0.00 0.00 175.26 172.73 1uw0 s GLN 4 N 0.29 1.26 -0.03 4.30 -0.21 -1.26 -4.82 119.66 119.18 1uw0 s GLN 4 Ca 0.16 -1.53 0.07 0.00 0.02 0.00 0.00 55.36 54.08 1uw0 s GLN 4 Cb -0.24 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 32.73 1uw0 s GLN 4 CO -0.03 0.17 -0.25 1.03 -2.12 0.00 0.00 175.29 174.08 1uw0 s ARG 5 N -3.55 2.27 0.12 2.91 1.81 -1.17 -5.03 118.95 116.31 1uw0 s ARG 5 Ca 0.20 -0.92 0.10 0.00 -1.72 0.00 0.00 55.73 53.40 1uw0 s ARG 5 Cb -0.01 -2.09 -0.04 0.00 -0.45 0.00 0.00 34.95 32.36 1uw0 s ARG 5 CO 0.05 0.50 -0.23 -0.06 -0.68 0.00 0.00 175.30 174.89 1uw0 s PHE 6 N -0.47 2.42 0.09 -0.53 0.08 -1.26 -1.17 117.98 117.15 1uw0 s PHE 6 Ca 0.06 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.81 1uw0 s PHE 6 Cb -0.11 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1uw0 s PHE 6 CO 0.01 0.36 -0.09 0.00 -0.10 0.00 0.00 175.22 175.40 1uw0 s VAL 8 N -2.73 3.79 0.03 0.00 1.01 -0.82 0.78 120.40 122.47 1uw0 s VAL 8 Ca 0.06 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 1uw0 s VAL 8 Cb -0.01 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1uw0 s VAL 8 CO -0.01 0.56 0.25 -0.62 0.00 0.00 0.00 175.10 175.28 1uw0 s ASP 9 N -0.30 -0.07 0.07 3.32 -1.08 0.99 -4.27 116.67 115.33 1uw0 s ASP 9 Ca 0.05 -0.20 0.05 0.00 -0.52 0.00 0.00 52.55 51.93 1uw0 s ASP 9 Cb -0.13 0.31 -0.04 0.00 -1.46 0.00 0.00 42.92 41.61 1uw0 s ASP 9 CO 0.02 -0.55 -0.06 -0.31 0.52 0.00 0.00 175.17 174.80 1uw0 s TYR 10 N -2.24 2.87 0.10 -5.34 2.02 -1.26 0.10 117.35 113.60 1uw0 s TYR 10 Ca -0.07 -0.08 -0.31 0.00 -0.37 0.00 0.00 57.07 56.24 1uw0 s TYR 10 Cb -0.02 -1.52 -0.07 0.00 -0.40 0.00 0.00 41.96 39.95 1uw0 s TYR 10 CO -0.02 0.43 1.26 0.00 -1.57 0.00 0.00 175.55 175.65 1uw0 s ALA 11 N -1.19 3.46 0.12 3.71 0.00 -0.10 -4.87 121.76 122.89 1uw0 s ALA 11 Ca 0.22 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1uw0 s ALA 11 Cb -0.11 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1uw0 s ALA 11 CO 0.14 -0.48 0.00 1.63 0.00 0.00 0.00 175.76 177.05 1uw0 n LYS 12 N 3.67 0.00 -3.98 0.00 4.76 -1.26 -1.87 118.16 119.48 1uw0 n LYS 12 Ca 0.09 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.19 1uw0 n LYS 12 Cb 0.45 -0.02 -0.14 0.00 -1.84 0.00 0.00 35.03 33.47 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 -1.43 2.42 0.00 1.97 3.52 -1.26 -4.55 118.95 119.62 1uw0 s ARG 13 Ca 0.00 -1.25 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 1uw0 s ARG 13 Cb 0.00 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1uw0 s ARG 13 CO 0.00 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 1uw0 n GLY 14 N 4.55 2.63 3.37 8.12 0.00 -1.26 -5.08 105.19 117.53 1uw0 n GLY 14 Ca -0.14 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.23 2.69 -0.03 2.61 2.01 -1.26 -4.63 115.64 115.80 1uw0 s THR 15 Ca 0.00 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 1uw0 s THR 15 Cb 0.00 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.47 1uw0 s THR 15 CO 0.00 0.57 0.14 0.00 -0.69 0.00 0.00 174.62 174.64 1uw0 s ALA 16 N -0.26 -0.34 0.70 7.40 0.00 -1.04 -4.89 121.76 123.34 1uw0 s ALA 16 Ca 0.01 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.99 1uw0 s ALA 16 Cb -0.13 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1uw0 s ALA 16 CO 0.03 -0.13 1.12 0.20 0.00 0.00 0.00 175.76 176.97 1uw0 s GLY 17 N -0.59 2.04 0.10 0.00 0.00 -1.26 -0.45 107.32 107.15 1uw0 s GLY 17 Ca -0.07 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.03 1uw0 s GLY 17 CO 0.01 0.87 0.48 0.00 0.00 0.00 0.00 173.10 174.46 1uw0 n LYS 19 N 1.06 1.00 -3.49 0.00 4.76 -0.43 -3.13 118.16 117.92 1uw0 n LYS 19 Ca -0.08 0.37 -0.23 0.00 -2.87 0.00 0.00 58.31 55.51 1uw0 n LYS 19 Cb 0.52 -2.02 0.04 0.00 -1.84 0.00 0.00 35.03 31.73 1uw0 n LYS 19 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1uw0 n LYS 20 N -0.35 -1.52 -3.61 1.97 4.76 -1.26 -4.88 118.16 113.27 1uw0 n LYS 20 Ca 0.12 0.73 -0.07 0.00 -2.87 0.00 0.00 58.31 56.21 1uw0 n LYS 20 Cb 0.44 -4.67 -0.05 0.00 -1.84 0.00 0.00 35.03 28.91 1uw0 n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uw0 n LYS 22 N 0.82 3.02 -2.46 0.00 4.76 -1.26 -4.73 118.16 118.31 1uw0 n LYS 22 Ca -0.07 -3.78 -0.05 0.00 -2.87 0.00 0.00 58.31 51.54 1uw0 n LYS 22 Cb 0.58 -2.27 -0.01 0.00 -1.84 0.00 0.00 35.03 31.48 1uw0 n LYS 22 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1uw0 n GLU 23 N -0.65 0.71 -4.11 1.97 2.13 -1.26 -5.12 120.64 114.31 1uw0 n GLU 23 Ca 0.51 -0.66 -0.13 0.00 0.66 0.00 0.00 57.16 57.55 1uw0 n GLU 23 Cb 0.54 0.39 -0.11 0.00 0.27 0.00 0.00 31.44 32.54 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 -2.29 0.66 -0.33 5.31 3.01 -1.26 -4.15 119.74 120.69 1uw0 s LYS 24 Ca 0.05 -0.96 -0.08 0.00 -1.01 0.00 0.00 55.97 53.97 1uw0 s LYS 24 Cb 0.00 -0.33 0.02 0.00 -1.01 0.00 0.00 37.83 36.51 1uw0 s LYS 24 CO 0.03 0.04 0.13 0.42 0.51 0.00 0.00 175.35 176.48 1uw0 s ILE 25 N -2.05 4.18 0.28 2.17 1.01 0.40 -4.88 121.20 122.30 1uw0 s ILE 25 Ca -0.02 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 59.94 1uw0 s ILE 25 Cb -0.05 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1uw0 s ILE 25 CO -0.01 -0.05 0.07 0.54 0.00 0.00 0.00 174.94 175.50 1uw0 s VAL 26 N 1.51 3.56 -0.32 2.92 0.11 -1.26 -2.49 120.40 124.43 1uw0 s VAL 26 Ca 0.02 -1.75 -0.42 0.00 -2.93 0.00 0.00 61.98 56.90 1uw0 s VAL 26 Cb -0.18 -2.99 -0.17 0.00 -1.53 0.00 0.00 36.38 31.51 1uw0 s VAL 26 CO 0.04 -0.32 1.71 2.29 -3.33 0.00 0.00 175.10 175.48 1uw0 n LYS 27 N -1.02 0.90 0.00 1.54 2.85 -1.26 -2.33 118.16 118.84 1uw0 n LYS 27 Ca -0.06 0.33 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 1uw0 n LYS 27 Cb 0.59 -1.97 0.00 0.00 -0.65 0.00 0.00 35.03 33.00 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 4.13 1.66 3.83 2.58 0.00 -0.78 -4.93 105.19 111.68 1uw0 n GLY 28 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 1uw0 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uw0 s VAL 29 N -1.33 5.37 0.23 1.61 -7.23 -0.98 -4.87 120.40 113.20 1uw0 s VAL 29 Ca 0.00 0.16 -0.25 0.00 -1.81 0.00 0.00 61.98 60.08 1uw0 s VAL 29 Cb 0.00 -3.35 -0.09 0.00 0.56 0.00 0.00 36.38 33.50 1uw0 s VAL 29 CO 0.00 0.59 0.84 0.00 -0.31 0.00 0.00 175.10 176.21 1uw0 s ARG 31 N -1.54 0.42 -0.02 0.00 1.70 0.28 -4.09 118.95 115.71 1uw0 s ARG 31 Ca 0.42 -0.70 -0.00 0.00 -0.47 0.00 0.00 55.73 54.97 1uw0 s ARG 31 Cb -0.21 -0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.06 1uw0 s ARG 31 CO 0.26 -0.01 0.05 0.42 -1.08 0.00 0.00 175.30 174.94 1uw0 s ILE 32 N -1.52 4.53 -0.15 4.99 1.01 -1.18 -0.01 121.20 128.87 1uw0 s ILE 32 Ca -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1uw0 s ILE 32 Cb -0.09 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1uw0 s ILE 32 CO -0.01 0.40 0.00 -0.83 0.00 0.00 0.00 174.94 174.51 1uw0 s GLY 33 N -1.54 1.81 -0.24 6.18 0.00 0.23 -1.64 107.32 112.12 1uw0 s GLY 33 Ca 0.20 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 44.12 1uw0 s GLY 33 CO 0.11 -0.14 -0.09 1.25 0.00 0.00 0.00 173.10 174.23 1uw0 s LYS 34 N 0.09 2.80 -0.38 2.90 2.20 -1.09 0.11 119.74 126.36 1uw0 s LYS 34 Ca 0.02 -1.00 -0.13 0.00 -0.36 0.00 0.00 55.97 54.51 1uw0 s LYS 34 Cb -0.13 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1uw0 s LYS 34 CO 0.02 -0.39 0.24 0.08 -0.36 0.00 0.00 175.35 174.94 1uw0 s VAL 35 N 1.30 4.94 0.03 4.02 1.01 -0.32 -3.44 120.40 127.93 1uw0 s VAL 35 Ca -0.00 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1uw0 s VAL 35 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1uw0 s VAL 35 CO -0.06 -0.22 -0.23 0.54 0.00 0.00 0.00 175.10 175.14 1uw0 s VAL 36 N 1.63 1.86 0.45 2.92 0.11 -0.99 -3.04 120.40 123.34 1uw0 s VAL 36 Ca 0.04 -1.20 -0.21 0.00 -2.93 0.00 0.00 61.98 57.68 1uw0 s VAL 36 Cb -0.19 -1.59 -0.10 0.00 -1.53 0.00 0.00 36.38 32.97 1uw0 s VAL 36 CO 0.08 0.34 0.98 -2.16 -3.33 0.00 0.00 175.10 171.01 1uw0 s PRO 37 N -1.03 4.09 0.29 1.54 0.04 -1.26 -0.86 135.00 137.82 1uw0 s PRO 37 Ca 0.09 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.39 1uw0 s PRO 37 Cb -0.09 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1uw0 s PRO 37 CO 0.01 -0.16 0.34 -0.80 0.04 0.00 0.00 177.00 176.43 1uw0 s ASN 38 N -2.12 5.78 -0.49 6.66 0.01 -0.91 -4.93 114.94 118.94 1uw0 s ASN 38 Ca 0.64 -0.22 -0.28 0.00 -0.71 0.00 0.00 52.86 52.29 1uw0 s ASN 38 Cb -0.11 -1.36 -0.00 0.00 0.41 0.00 0.00 41.25 40.19 1uw0 s ASN 38 CO 0.15 -0.24 1.64 -2.16 -1.51 0.00 0.00 177.10 174.98 1uw0 s PRO 39 N -4.01 3.16 -0.14 -0.60 0.04 -1.26 -4.41 135.00 127.79 1uw0 s PRO 39 Ca 0.39 0.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 1uw0 s PRO 39 Cb -0.08 -4.20 0.04 0.00 0.04 0.00 0.00 34.50 30.30 1uw0 s PRO 39 CO 0.28 -2.08 0.20 0.34 0.04 0.00 0.00 177.00 175.77 1uw0 n PHE 40 N 10.53 -3.50 -5.04 0.56 -0.00 -1.26 -5.00 117.46 113.75 1uw0 n PHE 40 Ca 0.18 2.04 -0.32 0.00 -0.00 0.00 0.00 57.45 59.35 1uw0 n PHE 40 Cb 0.49 -3.26 -0.15 0.00 -0.00 0.00 0.00 39.48 36.56 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 -0.51 3.56 -0.25 -2.13 0.01 -1.26 -5.03 113.70 108.10 1uw0 s SER 41 Ca -0.23 -0.38 -0.10 0.00 1.31 0.00 0.00 55.95 56.55 1uw0 s SER 41 Cb 0.02 -1.08 -0.11 0.00 0.21 0.00 0.00 66.02 65.06 1uw0 s SER 41 CO 0.61 0.25 -0.30 1.21 0.41 0.00 0.00 173.24 175.41 1uw0 n GLU 42 N 2.97 0.53 0.01 12.44 2.13 -1.26 -4.73 120.64 132.73 1uw0 n GLU 42 Ca -0.18 0.22 -0.22 0.00 0.66 0.00 0.00 57.16 57.64 1uw0 n GLU 42 Cb 0.52 -1.39 -0.14 0.00 0.27 0.00 0.00 31.44 30.70 1uw0 n GLU 42 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1uw0 h SER 43 N -0.76 0.42 -3.31 4.31 0.02 -2.05 -3.48 113.55 108.70 1uw0 h SER 43 Ca -0.61 -0.91 -0.00 0.00 -0.84 0.00 0.00 61.79 59.43 1uw0 h SER 43 Cb 1.59 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.99 1uw0 h SER 43 CO -0.34 1.80 -0.00 0.61 -1.14 0.00 0.00 176.83 177.76 1uw0 n GLY 44 N 1.90 3.50 2.10 -3.77 0.00 -1.26 -5.10 105.19 102.55 1uw0 n GLY 44 Ca -0.30 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.54 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 4.98 -0.90 3.55 -0.02 0.00 -1.26 -4.58 105.19 106.97 1uw0 n GLY 45 Ca -0.00 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.81 4.20 -0.18 1.61 1.01 -1.26 -2.14 116.67 116.10 1uw0 s ASP 46 Ca 0.00 -0.54 -0.02 0.00 0.71 0.00 0.00 52.55 52.69 1uw0 s ASP 46 Cb 0.00 -0.70 -0.01 0.00 1.01 0.00 0.00 42.92 43.22 1uw0 s ASP 46 CO 0.00 0.13 -0.08 -0.04 0.21 0.00 0.00 175.17 175.39 1uw0 s MET 47 N -2.58 3.41 -0.17 8.23 -1.94 -0.04 -4.88 119.30 121.33 1uw0 s MET 47 Ca 0.23 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 1uw0 s MET 47 Cb -0.10 -2.85 0.01 0.00 2.01 0.00 0.00 34.83 33.91 1uw0 s MET 47 CO 0.14 0.01 -0.16 0.21 -0.01 0.00 0.00 175.02 175.21 1uw0 s LYS 48 N 0.91 3.12 0.11 2.03 2.20 -1.25 -2.33 119.74 124.53 1uw0 s LYS 48 Ca -0.02 -0.78 0.07 0.00 -0.36 0.00 0.00 55.97 54.89 1uw0 s LYS 48 Cb -0.15 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 1uw0 s LYS 48 CO 0.00 -0.12 -0.17 -1.21 -0.36 0.00 0.00 175.35 173.50 1uw0 s GLU 49 N 1.12 1.06 -0.06 4.03 8.01 -1.22 -4.89 118.70 126.73 1uw0 s GLU 49 Ca 0.00 -1.18 -0.07 0.00 0.01 0.00 0.00 54.97 53.73 1uw0 s GLU 49 Cb -0.14 -1.13 -0.04 0.00 -4.31 0.00 0.00 34.13 28.51 1uw0 s GLU 49 CO -0.06 0.24 0.20 -1.58 0.01 0.00 0.00 175.26 174.07 1uw0 s TRP 50 N -1.61 3.60 0.45 1.61 0.52 -1.26 -2.68 118.94 119.57 1uw0 s TRP 50 Ca 0.07 0.56 0.04 0.00 0.02 0.00 0.00 56.10 56.79 1uw0 s TRP 50 Cb -0.08 -1.97 -0.05 0.00 -1.15 0.00 0.00 33.47 30.23 1uw0 s TRP 50 CO 0.04 0.69 0.01 0.71 0.02 0.00 0.00 176.95 178.42 1uw0 s TYR 51 N -1.14 2.16 0.22 -1.98 1.51 -0.65 -1.31 117.35 116.15 1uw0 s TYR 51 Ca 0.20 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1uw0 s TYR 51 Cb -0.13 -1.66 0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1uw0 s TYR 51 CO 0.10 0.30 0.30 0.72 -1.11 0.00 0.00 175.55 175.86 1uw0 n HIS 52 N -1.09 -3.06 0.04 2.71 8.25 -1.26 -3.08 115.22 117.72 1uw0 n HIS 52 Ca -0.12 -0.61 -0.19 0.00 -0.26 0.00 0.00 57.72 56.55 1uw0 n HIS 52 Cb 0.67 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.27 0.89 0.00 1.59 1.08 -2.00 -3.21 117.51 115.60 1uw0 h ILE 53 Ca -0.10 -2.57 -0.22 0.00 -0.39 0.00 0.00 64.86 61.58 1uw0 h ILE 53 Cb 0.40 2.64 -0.04 0.00 -3.07 0.00 0.00 36.82 36.75 1uw0 h ILE 53 CO 0.12 0.81 -1.48 0.50 -0.69 0.00 0.00 178.15 177.42 1uw0 h LYS 54 N 0.07 0.00 -0.02 2.37 3.64 -1.96 -3.14 116.57 117.53 1uw0 h LYS 54 Ca -0.33 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1uw0 h LYS 54 Cb 2.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1uw0 h LYS 54 CO 0.13 0.44 -0.05 0.00 -2.27 0.00 0.00 179.45 177.70 1uw0 h MET 56 N -0.47 0.77 -0.03 0.00 4.05 -1.73 -2.52 114.93 114.99 1uw0 h MET 56 Ca 0.00 -0.29 -0.18 0.00 -0.28 0.00 0.00 59.70 58.95 1uw0 h MET 56 Cb 0.63 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1uw0 h MET 56 CO 0.01 0.90 -0.76 0.74 0.23 0.00 0.00 176.91 178.03 1uw0 h PHE 57 N 0.68 0.30 -0.54 1.39 0.04 -1.59 -3.09 116.94 114.13 1uw0 h PHE 57 Ca 0.10 -0.14 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 1uw0 h PHE 57 Cb 0.69 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 1uw0 h PHE 57 CO 0.04 0.89 0.15 1.49 -0.60 0.00 0.00 178.31 180.28 1uw0 h GLU 58 N 0.14 0.81 -1.01 1.51 4.81 -0.66 -2.47 114.58 117.71 1uw0 h GLU 58 Ca -0.03 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1uw0 h GLU 58 Cb 1.34 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1uw0 h GLU 58 CO 0.12 0.71 0.67 0.87 -0.73 0.00 0.00 179.01 180.65 1uw0 h LYS 59 N 0.78 1.32 -0.53 1.92 1.57 -1.37 -2.15 116.57 118.12 1uw0 h LYS 59 Ca 0.18 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1uw0 h LYS 59 Cb 0.25 -0.30 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1uw0 h LYS 59 CO -0.01 0.87 0.30 -0.07 -0.57 0.00 0.00 179.45 179.98 1uw0 h LEU 60 N 1.36 0.46 -1.40 2.94 4.07 -1.47 0.74 115.31 122.02 1uw0 h LEU 60 Ca 0.37 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.36 1uw0 h LEU 60 Cb -0.15 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.48 1uw0 h LEU 60 CO -0.08 0.32 0.42 -0.08 -1.08 0.00 0.00 178.44 177.94 1uw0 h GLU 61 N 0.59 0.79 -0.64 1.13 4.22 -1.31 -2.13 114.58 117.22 1uw0 h GLU 61 Ca 0.22 -0.05 -0.37 0.00 0.08 0.00 0.00 59.36 59.24 1uw0 h GLU 61 Cb 0.07 -0.18 -0.22 0.00 0.50 0.00 0.00 28.75 28.92 1uw0 h GLU 61 CO -0.12 0.52 0.16 -2.13 -2.18 0.00 0.00 179.01 175.26 1uw0 n ARG 62 N -4.45 2.22 -3.95 1.92 0.63 -0.38 -5.01 116.66 107.65 1uw0 n ARG 62 Ca 0.07 -3.26 -0.23 0.00 -0.92 0.00 0.00 57.85 53.51 1uw0 n ARG 62 Cb 0.08 -2.02 -0.06 0.00 0.45 0.00 0.00 32.46 30.91 1uw0 n ARG 62 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uw0 s ALA 63 N -3.38 3.70 0.64 5.13 0.00 0.25 -4.96 121.76 123.14 1uw0 s ALA 63 Ca 0.51 -1.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.38 1uw0 s ALA 63 Cb 0.44 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1uw0 s ALA 63 CO 0.03 -0.12 1.06 1.03 0.00 0.00 0.00 175.76 177.76 1uw0 s ARG 64 N -3.95 3.15 0.01 0.00 0.52 -1.26 -4.99 118.95 112.43 1uw0 s ARG 64 Ca 0.42 1.09 0.02 0.00 -0.52 0.00 0.00 55.73 56.74 1uw0 s ARG 64 Cb -0.00 -2.01 -0.25 0.00 0.52 0.00 0.00 34.95 33.20 1uw0 s ARG 64 CO 0.24 -0.94 0.88 0.00 0.02 0.00 0.00 175.30 175.51 1uw0 h ALA 65 N -0.07 0.39 -0.98 2.13 0.00 -1.99 -3.34 119.26 115.39 1uw0 h ALA 65 Ca -0.45 -1.15 0.24 0.00 0.00 0.00 0.00 54.91 53.55 1uw0 h ALA 65 Cb 1.22 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 1uw0 h ALA 65 CO 0.57 1.25 0.65 1.79 0.00 0.00 0.00 179.25 183.51 1uw0 h THR 66 N 0.04 0.59 -3.41 0.00 1.35 -2.05 -3.39 112.91 106.05 1uw0 h THR 66 Ca -0.21 -0.13 -0.67 0.00 -0.55 0.00 0.00 66.41 64.85 1uw0 h THR 66 Cb 1.97 0.18 -0.18 0.00 -1.73 0.00 0.00 68.15 68.39 1uw0 h THR 66 CO 0.14 0.07 -0.65 -0.89 -0.25 0.00 0.00 175.52 173.94 1uw0 s THR 67 N -5.43 4.05 0.03 6.82 2.01 -1.25 -4.96 115.64 116.91 1uw0 s THR 67 Ca -0.08 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 61.66 1uw0 s THR 67 Cb 0.24 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1uw0 s THR 67 CO 0.79 0.57 -0.20 -0.75 -0.69 0.00 0.00 174.62 174.34 1uw0 s LYS 68 N -0.48 2.04 -0.01 4.92 2.47 -1.26 -4.76 119.74 122.66 1uw0 s LYS 68 Ca 0.08 -0.99 0.04 0.00 -1.56 0.00 0.00 55.97 53.54 1uw0 s LYS 68 Cb -0.12 -2.15 -0.01 0.00 -1.46 0.00 0.00 37.83 34.09 1uw0 s LYS 68 CO 0.02 0.54 -0.13 0.15 0.16 0.00 0.00 175.35 176.09 1uw0 s LYS 69 N -1.30 1.09 -0.11 4.03 1.02 -1.26 -4.99 119.74 118.22 1uw0 s LYS 69 Ca 0.13 -0.46 -0.08 0.00 0.02 0.00 0.00 55.97 55.58 1uw0 s LYS 69 Cb -0.10 -1.04 0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1uw0 s LYS 69 CO 0.04 0.26 0.16 -0.89 -0.92 0.00 0.00 175.35 174.00 1uw0 n ILE 70 N 2.82-10.22 -4.46 2.17 5.41 -1.26 -5.00 119.36 108.82 1uw0 n ILE 70 Ca -0.15 2.22 -0.34 0.00 1.00 0.00 0.00 62.75 65.48 1uw0 n ILE 70 Cb 0.55 -5.51 -0.10 0.00 -0.71 0.00 0.00 39.64 33.87 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 -0.50 2.80 0.98 0.38 2.02 -1.26 -5.02 118.70 118.10 1uw0 s GLU 71 Ca -0.19 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.27 1uw0 s GLU 71 Cb 0.01 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1uw0 s GLU 71 CO 0.50 0.66 0.00 -0.25 0.02 0.00 0.00 175.26 176.19 1uw0 n ASP 72 N 1.95 -4.50 -0.10 -0.19 9.92 -1.26 -3.93 116.55 118.44 1uw0 n ASP 72 Ca -0.17 0.32 -0.15 0.00 -0.53 0.00 0.00 54.79 54.26 1uw0 n ASP 72 Cb 0.53 -0.95 -0.14 0.00 -0.64 0.00 0.00 41.12 39.92 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 1.68 -2.87 0.64 7.94 -1.26 -4.50 117.00 118.63 1uw0 n LEU 73 Ca 0.00 -0.01 -0.38 0.00 -1.11 0.00 0.00 56.01 54.51 1uw0 n LEU 73 Cb 0.14 -0.32 0.03 0.00 0.53 0.00 0.00 43.42 43.80 1uw0 n LEU 73 CO 0.00 0.73 1.36 0.35 -1.11 0.00 0.00 177.39 178.72 1uw0 n THR 74 N -3.07 3.48 -2.17 1.96 -2.24 -1.26 -4.60 114.28 106.37 1uw0 n THR 74 Ca -0.38 -4.42 -0.13 0.00 -2.27 0.00 0.00 64.05 56.85 1uw0 n THR 74 Cb 1.06 -1.25 0.05 0.00 -2.10 0.00 0.00 70.33 68.09 1uw0 n THR 74 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1uw0 n GLU 75 N -0.52 2.74 -3.88 -0.78 2.13 -1.25 -5.05 120.64 114.02 1uw0 n GLU 75 Ca 0.52 -3.80 -0.10 0.00 0.66 0.00 0.00 57.16 54.44 1uw0 n GLU 75 Cb 0.29 -1.93 -0.09 0.00 0.27 0.00 0.00 31.44 29.99 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 -3.42 1.55 -0.76 4.31 1.43 -1.26 -4.66 118.68 115.87 1uw0 s LEU 76 Ca 0.43 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.84 1uw0 s LEU 76 Cb 0.38 0.82 0.06 0.00 0.03 0.00 0.00 46.19 47.48 1uw0 s LEU 76 CO -0.00 -0.55 1.15 -0.70 0.23 0.00 0.00 176.35 176.48 1uw0 s GLU 77 N -2.68 3.25 0.00 1.70 2.12 -1.18 -3.99 118.70 117.92 1uw0 s GLU 77 Ca -0.04 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.52 1uw0 s GLU 77 Cb -0.01 -4.43 0.00 0.00 0.26 0.00 0.00 34.13 29.96 1uw0 s GLU 77 CO -0.05 -1.98 0.00 0.41 -0.54 0.00 0.00 175.26 173.11 1uw0 n GLY 78 N 5.56 2.15 0.37 -1.50 0.00 -1.26 -1.93 105.19 108.56 1uw0 n GLY 78 Ca 0.06 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 0.38 -0.98 1.61 5.08 -1.77 -1.36 115.95 118.91 1uw0 h TRP 79 Ca 0.00 0.01 0.13 0.00 1.08 0.00 0.00 58.89 60.11 1uw0 h TRP 79 Cb 0.00 -0.12 -0.08 0.00 -3.00 0.00 0.00 29.16 25.95 1uw0 h TRP 79 CO 0.00 0.16 0.62 1.49 -1.28 0.00 0.00 178.44 179.43 1uw0 h GLU 80 N 0.34 0.89 -0.15 0.12 4.81 -1.94 -1.06 114.58 117.59 1uw0 h GLU 80 Ca 0.31 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.31 1uw0 h GLU 80 Cb 0.75 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1uw0 h GLU 80 CO -0.08 0.59 -0.64 1.49 -0.73 0.00 0.00 179.01 179.64 1uw0 h GLU 81 N 0.92 0.55 0.00 1.92 4.81 -1.64 -3.45 114.58 117.69 1uw0 h GLU 81 Ca 0.50 -0.39 -0.24 0.00 -0.13 0.00 0.00 59.36 59.10 1uw0 h GLU 81 Cb 0.57 0.06 0.14 0.00 0.63 0.00 0.00 28.75 30.16 1uw0 h GLU 81 CO -0.27 1.01 -0.12 -0.11 -0.73 0.00 0.00 179.01 178.80 1uw0 n LEU 82 N -3.92 0.00 -4.81 1.64 7.94 -0.40 -5.01 117.00 112.44 1uw0 n LEU 82 Ca -0.04 -0.58 -0.22 0.00 -1.11 0.00 0.00 56.01 54.06 1uw0 n LEU 82 Cb 0.66 -0.83 -0.05 0.00 0.53 0.00 0.00 43.42 43.74 1uw0 n LEU 82 CO 0.48 -2.57 -0.17 -1.61 -1.11 0.00 0.00 177.39 172.42 1uw0 s GLU 83 N -4.03 2.81 0.26 1.96 8.01 -1.26 -4.96 118.70 121.48 1uw0 s GLU 83 Ca 0.44 -1.15 -0.04 0.00 0.01 0.00 0.00 54.97 54.24 1uw0 s GLU 83 Cb -0.08 -2.50 0.35 0.00 -4.31 0.00 0.00 34.13 27.60 1uw0 s GLU 83 CO 0.37 0.33 1.90 -0.44 0.01 0.00 0.00 175.26 177.44 1uw0 h ASP 84 N 1.49 1.09 -0.47 -0.19 5.19 -1.95 0.68 116.42 122.25 1uw0 h ASP 84 Ca -0.47 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.85 1uw0 h ASP 84 Cb 1.24 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 1uw0 h ASP 84 CO 0.60 0.73 -0.00 0.78 -3.12 0.00 0.00 179.24 178.23 1uw0 h ASN 85 N 1.25 0.82 -0.57 6.45 4.21 -2.00 -2.06 115.58 123.68 1uw0 h ASN 85 Ca 0.41 -0.31 -0.11 0.00 1.21 0.00 0.00 56.30 57.50 1uw0 h ASN 85 Cb 0.03 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 36.99 1uw0 h ASN 85 CO -0.13 0.93 -0.06 -0.33 -1.29 0.00 0.00 177.43 176.55 1uw0 h GLU 86 N 0.69 1.06 -0.82 0.81 5.08 -1.81 -2.81 114.58 116.78 1uw0 h GLU 86 Ca 0.13 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1uw0 h GLU 86 Cb 0.51 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1uw0 h GLU 86 CO 0.02 1.06 0.51 0.87 -1.00 0.00 0.00 179.01 180.48 1uw0 h LYS 87 N 0.95 1.10 -0.97 2.33 1.57 -0.69 -2.20 116.57 118.65 1uw0 h LYS 87 Ca 0.16 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1uw0 h LYS 87 Cb 0.63 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1uw0 h LYS 87 CO 0.04 0.76 0.64 1.49 -0.57 0.00 0.00 179.45 181.81 1uw0 h GLU 88 N 1.12 1.22 -0.78 3.15 4.22 -1.11 -1.51 114.58 120.90 1uw0 h GLU 88 Ca 0.30 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.61 1uw0 h GLU 88 Cb -0.07 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.87 1uw0 h GLU 88 CO -0.06 0.81 0.29 1.96 -2.18 0.00 0.00 179.01 179.83 1uw0 h GLN 89 N 1.26 1.17 -0.62 1.92 7.50 -1.33 -2.43 115.11 122.59 1uw0 h GLN 89 Ca 0.38 -0.22 -0.08 0.00 0.50 0.00 0.00 58.65 59.23 1uw0 h GLN 89 Cb -0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 27.48 27.28 1uw0 h GLN 89 CO -0.11 0.96 0.08 0.82 -1.50 0.00 0.00 178.83 179.08 1uw0 h ILE 90 N 1.13 1.26 -0.89 2.54 2.04 -1.16 -2.73 117.51 119.70 1uw0 h ILE 90 Ca 0.26 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1uw0 h ILE 90 Cb 0.24 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1uw0 h ILE 90 CO -0.02 0.38 0.59 0.74 0.00 0.00 0.00 178.15 179.84 1uw0 h THR 91 N 0.94 1.18 -1.00 -0.27 2.02 -0.95 -1.95 112.91 112.87 1uw0 h THR 91 Ca 0.18 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 67.01 1uw0 h THR 91 Cb 0.45 -0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.73 1uw0 h THR 91 CO 0.02 0.21 0.66 -0.61 0.37 0.00 0.00 175.52 176.16 1uw0 h GLN 92 N 1.15 1.21 -0.32 6.66 5.75 -1.13 -0.94 115.11 127.49 1uw0 h GLN 92 Ca 0.34 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.80 1uw0 h GLN 92 Cb -0.04 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.21 1uw0 h GLN 92 CO -0.09 0.80 0.16 0.45 -2.65 0.00 0.00 178.83 177.49 1uw0 h HIS 93 N 1.24 0.29 -0.51 3.99 3.86 -1.29 0.52 115.15 123.26 1uw0 h HIS 93 Ca 0.41 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.54 1uw0 h HIS 93 Cb 0.05 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1uw0 h HIS 93 CO -0.00 0.15 -0.05 0.82 0.86 0.00 0.00 177.93 179.72 1uw0 h ILE 94 N 0.33 1.26 -0.45 2.45 2.04 -1.35 0.40 117.51 122.18 1uw0 h ILE 94 Ca 0.14 -1.13 -0.13 0.00 1.00 0.00 0.00 64.86 64.73 1uw0 h ILE 94 Cb 0.05 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1uw0 h ILE 94 CO -0.10 0.40 -0.23 0.00 0.00 0.00 0.00 178.15 178.22 1uw0 h ALA 95 N 1.12 0.64 -0.23 1.87 0.00 -0.58 0.71 119.26 122.79 1uw0 h ALA 95 Ca 0.15 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1uw0 h ALA 95 Cb 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1uw0 h ALA 95 CO 0.03 0.64 -0.46 -0.44 0.00 0.00 0.00 179.25 179.02 1uw0 h ASP 96 N 0.80 0.80 0.24 0.00 3.32 0.26 -2.87 116.42 118.97 1uw0 h ASP 96 Ca 0.10 -0.55 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 1uw0 h ASP 96 Cb 0.81 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1uw0 h ASP 96 CO 0.07 1.20 -0.54 0.25 -1.72 0.00 0.00 179.24 178.50 1uw0 h LEU 97 N 0.44 0.36 -4.66 1.55 5.85 -0.12 -3.17 115.31 115.56 1uw0 h LEU 97 Ca 0.01 -0.19 -0.74 0.00 0.84 0.00 0.00 57.88 57.80 1uw0 h LEU 97 Cb 1.07 -0.10 -0.28 0.00 0.37 0.00 0.00 40.66 41.71 1uw0 h LEU 97 CO 0.10 0.83 0.95 -1.20 -0.34 0.00 0.00 178.44 178.78 1uw0 n SER 98 N -3.93 7.51 -4.29 1.25 7.64 0.25 -4.96 113.62 117.08 1uw0 n SER 98 Ca -0.02 -3.82 -0.31 0.00 1.01 0.00 0.00 58.87 55.73 1uw0 n SER 98 Cb 0.58 -1.02 -0.16 0.00 -1.01 0.00 0.00 64.21 62.60 1uw0 n SER 98 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uw0 s SER 99 N -1.40 3.00 -0.33 6.43 0.15 -1.09 -4.86 113.70 115.59 1uw0 s SER 99 Ca 0.56 -0.47 0.16 0.00 0.70 0.00 0.00 55.95 56.90 1uw0 s SER 99 Cb 0.46 -0.42 0.45 0.00 -1.71 0.00 0.00 66.02 64.80 1uw0 s SER 99 CO -0.28 0.30 1.07 0.29 1.20 0.00 0.00 173.24 175.82 1uw0 n LYS 100 N 2.54 1.20 -3.00 5.44 5.02 -1.26 -4.96 118.16 123.14 1uw0 n LYS 100 Ca -0.16 -2.91 -0.15 0.00 -2.02 0.00 0.00 58.31 53.08 1uw0 n LYS 100 Cb 0.51 -0.96 -0.00 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.26 2.21 -2.98 7.82 0.00 -1.26 -4.95 120.51 121.09 1uw0 n ALA 101 Ca 0.06 -3.16 -0.14 0.00 0.00 0.00 0.00 53.44 50.20 1uw0 n ALA 101 Cb 0.83 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.34 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 0.17 1.66 -1.44 0.00 0.00 -1.26 -4.96 120.51 114.68 1uw0 n ALA 102 Ca 0.19 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1uw0 n ALA 102 Cb 0.71 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1uw0 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uw0 n GLY 103 N 0.18 1.05 0.36 0.00 0.00 -1.26 -5.00 105.19 100.52 1uw0 n GLY 103 Ca 0.17 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 1uw0 n GLY 103 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1uw0 h THR 104 N 0.00 0.25 -3.45 2.61 1.35 -2.00 -3.42 112.91 108.25 1uw0 h THR 104 Ca 0.00 -0.25 -0.52 0.00 -0.55 0.00 0.00 66.41 65.09 1uw0 h THR 104 Cb 0.00 0.32 0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1uw0 h THR 104 CO 0.00 0.03 0.54 -2.16 -0.25 0.00 0.00 175.52 173.68 1uw0 s PRO 105 N -5.19 4.50 0.32 4.72 0.04 -1.26 -5.04 135.00 133.09 1uw0 s PRO 105 Ca -0.16 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1uw0 s PRO 105 Cb 0.02 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 1uw0 s PRO 105 CO 0.52 -0.09 0.06 0.21 0.04 0.00 0.00 177.00 177.75 1uw0 s LYS 106 N -0.03 1.62 0.23 4.56 2.20 -1.26 -4.62 119.74 122.44 1uw0 s LYS 106 Ca 0.53 -1.90 0.00 0.00 -0.36 0.00 0.00 55.97 54.24 1uw0 s LYS 106 Cb -0.31 -0.78 0.00 0.00 -1.51 0.00 0.00 37.83 35.23 1uw0 s LYS 106 CO 0.35 -0.21 0.00 1.63 -0.36 0.00 0.00 175.35 176.76 1uw0 n LYS 107 N -0.66 -1.95 -2.45 4.03 4.01 -1.26 -5.02 118.16 114.85 1uw0 n LYS 107 Ca -0.02 1.29 -0.05 0.00 -0.51 0.00 0.00 58.31 59.02 1uw0 n LYS 107 Cb 0.67 -2.38 -0.00 0.00 -0.51 0.00 0.00 35.03 32.80 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 -3.01 0.36 -4.36 1.97 5.02 -1.26 -5.17 118.16 111.70 1uw0 n LYS 108 Ca 0.01 -1.11 -0.24 0.00 -2.02 0.00 0.00 58.31 54.95 1uw0 n LYS 108 Cb 0.61 1.16 -0.08 0.00 -0.02 0.00 0.00 35.03 36.69 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 -1.88 3.07 -0.27 7.82 0.00 -1.26 -5.12 121.76 124.12 1uw0 s ALA 109 Ca 0.11 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.25 1uw0 s ALA 109 Cb -0.01 -0.48 0.07 0.00 0.00 0.00 0.00 23.12 22.70 1uw0 s ALA 109 CO 0.08 0.19 -0.03 0.08 0.00 0.00 0.00 175.76 176.08 1uw0 s VAL 110 N -2.45 1.81 0.01 0.00 1.01 -1.26 -5.11 120.40 114.41 1uw0 s VAL 110 Ca 0.32 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1uw0 s VAL 110 Cb -0.04 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1uw0 s VAL 110 CO 0.18 -0.26 -0.03 0.68 0.00 0.00 0.00 175.10 175.67 1uw0 s VAL 111 N 1.22 0.22 0.01 2.92 -7.23 -1.26 -5.16 120.40 111.13 1uw0 s VAL 111 Ca -0.01 -0.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.89 1uw0 s VAL 111 Cb -0.19 -0.23 -0.01 0.00 0.56 0.00 0.00 36.38 36.51 1uw0 s VAL 111 CO -0.08 -0.06 -0.11 -1.58 -0.31 0.00 0.00 175.10 172.96 1uw0 s GLN 112 N -0.39 0.82 -0.29 4.82 0.74 -1.26 -5.12 119.66 118.97 1uw0 s GLN 112 Ca -0.02 -0.47 0.03 0.00 0.05 0.00 0.00 55.36 54.94 1uw0 s GLN 112 Cb -0.03 -0.79 0.08 0.00 1.10 0.00 0.00 33.01 33.37 1uw0 s GLN 112 CO -0.00 0.21 -0.03 0.00 -0.55 0.00 0.00 175.29 174.92 1uw0 s ALA 113 N -0.45 2.56 0.09 1.58 0.00 -1.26 -5.11 121.76 119.18 1uw0 s ALA 113 Ca 0.02 -2.01 0.10 0.00 0.00 0.00 0.00 51.96 50.07 1uw0 s ALA 113 Cb -0.05 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1uw0 s ALA 113 CO 0.00 -1.42 -0.25 0.21 0.00 0.00 0.00 175.76 174.30 1uw0 s LYS 114 N 1.09 1.50 -0.03 0.00 2.47 -1.26 -5.14 119.74 118.36 1uw0 s LYS 114 Ca 0.00 -1.19 0.06 0.00 -1.56 0.00 0.00 55.97 53.28 1uw0 s LYS 114 Cb -0.19 -1.81 -0.02 0.00 -1.46 0.00 0.00 37.83 34.34 1uw0 s LYS 114 CO -0.07 0.45 -0.22 -1.17 0.16 0.00 0.00 175.35 174.49 1uw0 s LEU 115 N -1.65 2.29 -0.01 5.43 2.96 -1.26 -5.13 118.68 121.30 1uw0 s LEU 115 Ca 0.11 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1uw0 s LEU 115 Cb -0.10 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 1uw0 s LEU 115 CO 0.04 0.32 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.30 1uw0 s THR 116 N -0.59 1.58 0.00 3.68 2.01 -1.26 -5.38 115.64 115.68 1uw0 s THR 116 Ca 0.09 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1uw0 s THR 116 Cb -0.11 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.09 1uw0 s THR 116 CO -0.00 0.42 0.26 0.35 -0.69 0.00 0.00 174.62 174.96