#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 0.28 -0.09 -5.12 0.00 -1.26 -5.12 121.76 110.45 1uw0 s ALA 2 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1uw0 s ALA 2 Cb 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.38 1uw0 s ALA 2 CO 0.00 -2.03 -0.13 -2.00 0.00 0.00 0.00 175.76 171.59 1uw0 s GLU 3 N 1.43 1.92 0.53 0.00 2.12 -1.26 -5.07 118.70 118.37 1uw0 s GLU 3 Ca 0.16 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1uw0 s GLU 3 Cb -0.19 -1.64 0.00 0.00 0.26 0.00 0.00 34.13 32.56 1uw0 s GLU 3 CO -0.08 -0.04 0.00 1.04 -0.54 0.00 0.00 175.26 175.64 1uw0 n GLN 4 N 4.10 -3.00 -4.93 4.30 3.00 -1.26 -4.90 117.38 114.69 1uw0 n GLN 4 Ca -0.20 2.38 -0.29 0.00 -0.01 0.00 0.00 57.00 58.89 1uw0 n GLN 4 Cb 0.51 -3.59 -0.17 0.00 0.00 0.00 0.00 30.24 26.99 1uw0 n GLN 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1uw0 s ARG 5 N -3.96 2.43 -0.03 -1.09 3.00 -1.21 -5.03 118.95 113.05 1uw0 s ARG 5 Ca 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 55.73 55.12 1uw0 s ARG 5 Cb 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 34.95 33.05 1uw0 s ARG 5 CO 0.00 0.11 -0.20 -0.06 0.00 0.00 0.00 175.30 175.15 1uw0 s PHE 6 N 0.49 1.91 0.07 -0.53 0.08 -1.26 -0.83 117.98 117.91 1uw0 s PHE 6 Ca -0.17 -0.47 0.07 0.00 0.12 0.00 0.00 56.93 56.48 1uw0 s PHE 6 Cb -0.17 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.00 1uw0 s PHE 6 CO 0.07 -0.11 -0.19 0.00 -0.10 0.00 0.00 175.22 174.89 1uw0 s VAL 8 N -1.03 2.71 0.13 0.00 -7.23 0.17 0.12 120.40 115.28 1uw0 s VAL 8 Ca 0.04 -0.86 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 1uw0 s VAL 8 Cb -0.09 -2.03 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 1uw0 s VAL 8 CO 0.03 0.59 0.25 -0.62 -0.31 0.00 0.00 175.10 175.03 1uw0 s ASP 9 N -0.65 0.07 -0.04 4.85 2.15 0.95 -4.12 116.67 119.88 1uw0 s ASP 9 Ca 0.10 -0.75 0.01 0.00 0.43 0.00 0.00 52.55 52.34 1uw0 s ASP 9 Cb -0.11 0.39 -0.03 0.00 -0.30 0.00 0.00 42.92 42.88 1uw0 s ASP 9 CO 0.00 -0.82 -0.06 -0.31 -0.17 0.00 0.00 175.17 173.81 1uw0 s TYR 10 N -3.91 2.94 0.24 -5.34 2.02 -1.26 0.11 117.35 112.15 1uw0 s TYR 10 Ca 0.11 0.01 -0.30 0.00 -0.37 0.00 0.00 57.07 56.52 1uw0 s TYR 10 Cb 0.04 -1.68 -0.10 0.00 -0.40 0.00 0.00 41.96 39.82 1uw0 s TYR 10 CO -0.05 0.36 1.50 0.00 -1.57 0.00 0.00 175.55 175.79 1uw0 s ALA 11 N -0.89 3.69 0.13 3.71 0.00 -0.75 -4.87 121.76 122.79 1uw0 s ALA 11 Ca 0.14 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1uw0 s ALA 11 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1uw0 s ALA 11 CO 0.04 -0.81 0.00 1.63 0.00 0.00 0.00 175.76 176.62 1uw0 n LYS 12 N 2.62 0.00 -3.88 0.00 4.76 -1.26 -2.91 118.16 117.49 1uw0 n LYS 12 Ca 0.09 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.24 1uw0 n LYS 12 Cb 0.39 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.45 1uw0 n LYS 12 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1uw0 s ARG 13 N -1.43 2.07 0.00 1.97 0.52 -1.26 -4.70 118.95 116.11 1uw0 s ARG 13 Ca 0.00 -2.85 0.00 0.00 -0.52 0.00 0.00 55.73 52.36 1uw0 s ARG 13 Cb 0.00 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1uw0 s ARG 13 CO 0.00 -1.20 0.00 0.41 0.02 0.00 0.00 175.30 174.53 1uw0 n GLY 14 N 2.65 3.66 3.13 -3.53 0.00 -1.26 -5.13 105.19 104.71 1uw0 n GLY 14 Ca 0.13 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 1uw0 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uw0 s THR 15 N -2.61 0.91 0.05 2.61 -1.32 -1.26 -4.66 115.64 109.36 1uw0 s THR 15 Ca 0.00 -1.20 0.06 0.00 -1.21 0.00 0.00 61.69 59.34 1uw0 s THR 15 Cb 0.00 -0.90 -0.02 0.00 -1.51 0.00 0.00 72.50 70.06 1uw0 s THR 15 CO 0.00 -0.26 -0.18 0.00 -2.21 0.00 0.00 174.62 171.97 1uw0 s ALA 16 N -1.27 1.51 -0.14 11.08 0.00 -1.24 -4.83 121.76 126.87 1uw0 s ALA 16 Ca -0.04 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1uw0 s ALA 16 Cb -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1uw0 s ALA 16 CO 0.02 0.31 1.51 0.20 0.00 0.00 0.00 175.76 177.80 1uw0 s GLY 17 N -1.25 1.49 0.05 0.00 0.00 -1.26 -1.26 107.32 105.09 1uw0 s GLY 17 Ca 0.05 0.65 -0.30 0.00 0.00 0.00 0.00 44.72 45.11 1uw0 s GLY 17 CO 0.02 2.85 1.73 0.00 0.00 0.00 0.00 173.10 177.70 1uw0 s LYS 19 N 3.22 2.98 -0.95 0.00 -0.14 -1.20 -3.31 119.74 120.35 1uw0 s LYS 19 Ca 0.77 2.11 -0.09 0.00 -1.36 0.00 0.00 55.97 57.41 1uw0 s LYS 19 Cb -0.40 -2.11 -0.02 0.00 -1.68 0.00 0.00 37.83 33.63 1uw0 s LYS 19 CO 0.34 -1.27 0.76 1.63 -0.76 0.00 0.00 175.35 176.04 1uw0 n LYS 20 N -1.32 -1.47 0.00 1.68 4.76 -1.26 -4.82 118.16 115.73 1uw0 n LYS 20 Ca 0.12 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 1uw0 n LYS 20 Cb 0.47 -4.60 0.00 0.00 -1.84 0.00 0.00 35.03 29.05 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 -1.32 -4.07 -1.58 0.00 4.81 -1.24 -5.02 118.16 109.73 1uw0 n LYS 22 Ca 0.00 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1uw0 n LYS 22 Cb 0.00 -4.35 0.00 0.00 0.02 0.00 0.00 35.03 30.70 1uw0 n LYS 22 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1uw0 n GLU 23 N -2.86 0.00 -4.07 1.64 4.07 -1.26 -5.03 120.64 113.12 1uw0 n GLU 23 Ca -0.06 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 56.96 1uw0 n GLU 23 Cb 0.56 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.84 1uw0 n GLU 23 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1uw0 s LYS 24 N -1.61 0.57 -0.29 5.31 1.02 -1.26 -2.48 119.74 121.00 1uw0 s LYS 24 Ca 0.00 -1.14 -0.10 0.00 0.02 0.00 0.00 55.97 54.76 1uw0 s LYS 24 Cb 0.00 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.48 1uw0 s LYS 24 CO 0.00 -0.10 0.15 0.42 -0.92 0.00 0.00 175.35 174.90 1uw0 s ILE 25 N -3.59 4.84 0.26 2.17 1.01 -0.39 -4.83 121.20 120.66 1uw0 s ILE 25 Ca 0.04 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1uw0 s ILE 25 Cb 0.06 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1uw0 s ILE 25 CO -0.09 0.19 0.15 -0.69 0.00 0.00 0.00 174.94 174.50 1uw0 s VAL 26 N 1.67 4.14 -0.21 2.92 1.01 -1.26 -3.64 120.40 125.04 1uw0 s VAL 26 Ca 0.06 -1.54 -0.39 0.00 0.00 0.00 0.00 61.98 60.11 1uw0 s VAL 26 Cb -0.16 -3.25 -0.16 0.00 0.00 0.00 0.00 36.38 32.81 1uw0 s VAL 26 CO 0.08 -0.35 1.69 1.17 0.00 0.00 0.00 175.10 177.69 1uw0 n LYS 27 N -1.11 1.22 0.00 2.72 4.81 -1.26 -2.50 118.16 122.04 1uw0 n LYS 27 Ca -0.07 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1uw0 n LYS 27 Cb 0.58 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.50 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 3.95 1.20 3.72 3.14 0.00 -1.15 -4.96 105.19 111.09 1uw0 n GLY 28 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.94 4.73 0.10 1.61 -7.23 -1.04 -4.88 120.40 112.76 1uw0 s VAL 29 Ca 0.00 -0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 59.80 1uw0 s VAL 29 Cb 0.00 -3.05 -0.06 0.00 0.56 0.00 0.00 36.38 33.84 1uw0 s VAL 29 CO 0.00 0.58 0.92 0.00 -0.31 0.00 0.00 175.10 176.28 1uw0 s ARG 31 N -0.10 1.32 -0.08 0.00 1.70 0.30 -3.90 118.95 118.20 1uw0 s ARG 31 Ca 0.45 -1.22 -0.01 0.00 -0.47 0.00 0.00 55.73 54.48 1uw0 s ARG 31 Cb -0.23 -1.67 -0.03 0.00 -0.57 0.00 0.00 34.95 32.45 1uw0 s ARG 31 CO 0.28 0.40 -0.03 0.42 -1.08 0.00 0.00 175.30 175.30 1uw0 s ILE 32 N -1.05 4.06 -0.23 4.99 1.01 -1.11 -0.03 121.20 128.84 1uw0 s ILE 32 Ca 0.10 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1uw0 s ILE 32 Cb -0.10 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1uw0 s ILE 32 CO 0.05 0.60 0.04 -0.83 0.00 0.00 0.00 174.94 174.80 1uw0 s GLY 33 N -0.84 1.75 -0.25 6.18 0.00 0.33 -1.92 107.32 112.57 1uw0 s GLY 33 Ca 0.13 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.72 1uw0 s GLY 33 CO 0.02 0.39 0.07 1.25 0.00 0.00 0.00 173.10 174.83 1uw0 s LYS 34 N 1.30 3.66 -0.42 2.90 2.20 -1.10 0.14 119.74 128.42 1uw0 s LYS 34 Ca 0.04 -0.47 -0.12 0.00 -0.36 0.00 0.00 55.97 55.06 1uw0 s LYS 34 Cb -0.15 -3.33 0.05 0.00 -1.51 0.00 0.00 37.83 32.90 1uw0 s LYS 34 CO 0.02 -0.19 0.28 0.08 -0.36 0.00 0.00 175.35 175.19 1uw0 s VAL 35 N 1.61 4.71 -0.03 4.02 1.01 -0.01 -3.31 120.40 128.40 1uw0 s VAL 35 Ca 0.06 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.05 1uw0 s VAL 35 Cb -0.15 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1uw0 s VAL 35 CO 0.04 -0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 173.80 1uw0 s VAL 36 N 1.55 1.81 0.11 2.92 1.01 -1.15 -3.31 120.40 123.33 1uw0 s VAL 36 Ca 0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1uw0 s VAL 36 Cb -0.22 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.58 1uw0 s VAL 36 CO 0.06 0.51 1.19 -2.16 0.00 0.00 0.00 175.10 174.70 1uw0 s PRO 37 N -0.38 4.46 0.15 2.72 0.04 -1.26 -2.39 135.00 138.35 1uw0 s PRO 37 Ca 0.04 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.91 1uw0 s PRO 37 Cb -0.10 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1uw0 s PRO 37 CO 0.01 -0.18 0.19 -0.80 0.04 0.00 0.00 177.00 176.26 1uw0 s ASN 38 N 0.70 5.88 0.11 6.66 0.01 -1.25 -5.00 114.94 122.04 1uw0 s ASN 38 Ca 0.56 0.02 -0.13 0.00 -0.71 0.00 0.00 52.86 52.60 1uw0 s ASN 38 Cb -0.30 -1.65 -0.13 0.00 0.41 0.00 0.00 41.25 39.58 1uw0 s ASN 38 CO 0.32 0.08 1.35 1.55 -1.51 0.00 0.00 177.10 178.88 1uw0 h PRO 39 N 2.41 0.82 -4.72 -0.60 0.13 -1.96 -3.41 132.00 124.68 1uw0 h PRO 39 Ca -0.48 -0.60 -0.68 0.00 -0.87 0.00 0.00 66.00 63.37 1uw0 h PRO 39 Cb 1.19 0.10 -0.34 0.00 0.13 0.00 0.00 31.00 32.09 1uw0 h PRO 39 CO 0.66 1.22 -0.68 0.12 -0.23 0.00 0.00 178.00 179.09 1uw0 s PHE 40 N -3.92 3.37 0.15 1.56 2.19 -1.26 -5.10 117.98 114.97 1uw0 s PHE 40 Ca -0.11 -2.09 0.06 0.00 0.33 0.00 0.00 56.93 55.13 1uw0 s PHE 40 Cb 0.09 -2.37 -0.04 0.00 -1.31 0.00 0.00 43.02 39.39 1uw0 s PHE 40 CO 0.90 -0.85 -0.14 0.45 1.83 0.00 0.00 175.22 177.40 1uw0 s SER 41 N 1.33 2.19 -0.20 6.13 0.15 -1.26 -5.07 113.70 116.97 1uw0 s SER 41 Ca -0.02 -0.90 -0.00 0.00 0.70 0.00 0.00 55.95 55.72 1uw0 s SER 41 Cb -0.20 -0.09 -0.21 0.00 -1.71 0.00 0.00 66.02 63.81 1uw0 s SER 41 CO -0.02 -0.17 0.04 1.21 1.20 0.00 0.00 173.24 175.49 1uw0 n GLU 42 N 0.15 0.69 0.04 5.44 4.07 -1.26 -4.56 120.64 125.21 1uw0 n GLU 42 Ca -0.12 0.19 -0.22 0.00 -0.06 0.00 0.00 57.16 56.94 1uw0 n GLU 42 Cb 0.58 -1.60 -0.14 0.00 -0.06 0.00 0.00 31.44 30.22 1uw0 n GLU 42 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1uw0 h SER 43 N 0.03 0.52 0.00 4.31 0.87 -2.03 -3.50 113.55 113.75 1uw0 h SER 43 Ca -0.51 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.10 1uw0 h SER 43 Cb 1.97 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 1uw0 h SER 43 CO -0.01 1.83 0.00 0.61 -0.53 0.00 0.00 176.83 178.72 1uw0 n GLY 44 N 1.93 1.49 0.00 5.77 0.00 -1.26 -5.13 105.19 107.98 1uw0 n GLY 44 Ca -0.28 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 2.06 0.64 3.54 -0.02 0.00 -1.26 -5.11 105.19 105.03 1uw0 n GLY 45 Ca 0.00 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.00 3.99 -0.04 1.61 1.11 -1.26 -3.94 116.67 114.15 1uw0 s ASP 46 Ca 0.00 -0.80 -0.03 0.00 0.18 0.00 0.00 52.55 51.90 1uw0 s ASP 46 Cb 0.00 -0.54 -0.04 0.00 1.07 0.00 0.00 42.92 43.41 1uw0 s ASP 46 CO 0.00 0.05 0.13 -0.32 1.18 0.00 0.00 175.17 176.21 1uw0 s MET 47 N -3.31 3.30 -0.17 8.23 1.75 -1.00 -4.83 119.30 123.26 1uw0 s MET 47 Ca 0.28 -0.33 -0.00 0.00 -1.25 0.00 0.00 55.69 54.39 1uw0 s MET 47 Cb -0.07 -3.03 0.00 0.00 2.84 0.00 0.00 34.83 34.58 1uw0 s MET 47 CO 0.16 0.69 -0.15 0.21 -0.65 0.00 0.00 175.02 175.29 1uw0 s LYS 48 N -1.61 3.18 -0.04 4.11 2.20 -1.25 -2.96 119.74 123.38 1uw0 s LYS 48 Ca 0.22 -0.75 0.05 0.00 -0.36 0.00 0.00 55.97 55.13 1uw0 s LYS 48 Cb -0.12 -2.68 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1uw0 s LYS 48 CO 0.13 -0.08 -0.16 -1.21 -0.36 0.00 0.00 175.35 173.66 1uw0 s GLU 49 N 1.06 2.41 -0.20 4.03 8.01 -1.21 -4.85 118.70 127.95 1uw0 s GLU 49 Ca -0.01 -0.75 -0.12 0.00 0.01 0.00 0.00 54.97 54.10 1uw0 s GLU 49 Cb -0.15 -2.31 -0.05 0.00 -4.31 0.00 0.00 34.13 27.32 1uw0 s GLU 49 CO -0.04 0.61 0.23 -1.58 0.01 0.00 0.00 175.26 174.49 1uw0 s TRP 50 N -0.73 3.40 0.47 1.61 0.23 -1.25 -2.72 118.94 119.95 1uw0 s TRP 50 Ca 0.11 0.44 0.05 0.00 -2.03 0.00 0.00 56.10 54.67 1uw0 s TRP 50 Cb -0.10 -2.30 -0.02 0.00 0.03 0.00 0.00 33.47 31.07 1uw0 s TRP 50 CO 0.01 0.17 0.15 0.71 0.96 0.00 0.00 176.95 178.95 1uw0 s TYR 51 N 0.71 2.14 0.11 -1.98 1.51 -0.81 -3.21 117.35 115.81 1uw0 s TYR 51 Ca 0.12 -0.78 -0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1uw0 s TYR 51 Cb -0.13 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 1uw0 s TYR 51 CO 0.03 0.09 0.15 0.72 -1.11 0.00 0.00 175.55 175.43 1uw0 n HIS 52 N -1.33 -3.38 0.10 2.71 8.25 -1.26 -2.77 115.22 117.55 1uw0 n HIS 52 Ca -0.08 -0.25 -0.24 0.00 -0.26 0.00 0.00 57.72 56.90 1uw0 n HIS 52 Cb 0.66 -0.11 -0.15 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.48 1.06 0.04 1.59 1.08 -1.98 -3.26 117.51 115.56 1uw0 h ILE 53 Ca -0.05 -2.58 -0.27 0.00 -0.39 0.00 0.00 64.86 61.56 1uw0 h ILE 53 Cb 0.18 2.86 -0.03 0.00 -3.07 0.00 0.00 36.82 36.77 1uw0 h ILE 53 CO 0.05 0.84 -1.44 0.11 -0.69 0.00 0.00 178.15 177.02 1uw0 h LYS 54 N 0.12 0.09 0.26 2.37 1.79 -1.95 -3.07 116.57 116.17 1uw0 h LYS 54 Ca -0.31 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 1uw0 h LYS 54 Cb 2.13 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.84 1uw0 h LYS 54 CO 0.21 0.88 -0.12 0.00 -1.08 0.00 0.00 179.45 179.34 1uw0 h MET 56 N -0.48 1.02 -0.01 0.00 1.85 -1.72 -2.72 114.93 112.86 1uw0 h MET 56 Ca -0.04 -0.36 -0.12 0.00 -0.61 0.00 0.00 59.70 58.58 1uw0 h MET 56 Cb 0.36 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 1uw0 h MET 56 CO 0.06 1.05 -0.55 0.74 -0.40 0.00 0.00 176.91 177.81 1uw0 h PHE 57 N 0.90 0.05 -0.63 1.39 0.04 -1.46 -2.94 116.94 114.28 1uw0 h PHE 57 Ca 0.15 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 1uw0 h PHE 57 Cb 0.63 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 1uw0 h PHE 57 CO 0.04 0.58 0.34 1.49 -0.60 0.00 0.00 178.31 180.16 1uw0 h GLU 58 N 0.03 0.88 -0.90 1.51 4.81 0.90 -2.19 114.58 119.62 1uw0 h GLU 58 Ca -0.00 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1uw0 h GLU 58 Cb 0.98 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 1uw0 h GLU 58 CO 0.07 0.65 0.59 -0.22 -0.73 0.00 0.00 179.01 179.37 1uw0 h LYS 59 N 0.88 1.14 -0.46 1.92 3.11 -1.33 -1.75 116.57 120.08 1uw0 h LYS 59 Ca 0.22 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.97 1uw0 h LYS 59 Cb 0.04 -0.26 -0.02 0.00 -1.00 0.00 0.00 32.23 30.99 1uw0 h LYS 59 CO -0.04 0.75 0.19 -0.07 -2.81 0.00 0.00 179.45 177.48 1uw0 h LEU 60 N 1.18 0.62 -1.64 5.20 4.07 -1.47 -0.88 115.31 122.39 1uw0 h LEU 60 Ca 0.34 -0.16 0.07 0.00 0.08 0.00 0.00 57.88 58.21 1uw0 h LEU 60 Cb -0.07 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.48 1uw0 h LEU 60 CO -0.09 0.61 0.36 -0.08 -1.08 0.00 0.00 178.44 178.15 1uw0 h GLU 61 N 0.59 0.42 -0.79 1.13 4.81 -1.04 -0.83 114.58 118.86 1uw0 h GLU 61 Ca 0.15 -0.03 -0.40 0.00 -0.13 0.00 0.00 59.36 58.96 1uw0 h GLU 61 Cb 0.18 -0.09 -0.24 0.00 0.63 0.00 0.00 28.75 29.23 1uw0 h GLU 61 CO -0.01 0.28 0.42 -2.13 -0.73 0.00 0.00 179.01 176.83 1uw0 n ARG 62 N -4.47 2.27 -4.38 1.92 0.63 -0.72 -4.98 116.66 106.93 1uw0 n ARG 62 Ca 0.08 -3.07 -0.25 0.00 -0.92 0.00 0.00 57.85 53.69 1uw0 n ARG 62 Cb 0.28 -2.08 -0.09 0.00 0.45 0.00 0.00 32.46 31.02 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 -3.26 3.24 0.75 5.13 0.00 -0.32 -5.00 121.76 122.31 1uw0 s ALA 63 Ca 0.53 -2.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.28 1uw0 s ALA 63 Cb 0.46 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.39 1uw0 s ALA 63 CO 0.08 -0.01 1.16 0.50 0.00 0.00 0.00 175.76 177.49 1uw0 s ARG 64 N -3.74 2.13 0.05 0.00 6.06 -1.26 -4.96 118.95 117.23 1uw0 s ARG 64 Ca 0.36 1.57 0.01 0.00 -2.50 0.00 0.00 55.73 55.16 1uw0 s ARG 64 Cb 0.03 -1.85 -0.26 0.00 0.06 0.00 0.00 34.95 32.93 1uw0 s ARG 64 CO 0.19 -1.80 1.02 0.00 -2.50 0.00 0.00 175.30 172.21 1uw0 h ALA 65 N -0.57 0.31 -0.99 6.12 0.00 -1.99 -3.32 119.26 118.81 1uw0 h ALA 65 Ca -0.46 -1.04 0.24 0.00 0.00 0.00 0.00 54.91 53.65 1uw0 h ALA 65 Cb 1.27 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 1uw0 h ALA 65 CO 0.50 1.18 0.65 1.79 0.00 0.00 0.00 179.25 183.37 1uw0 h THR 66 N 0.04 0.59 -3.40 0.00 1.35 -2.04 -3.37 112.91 106.08 1uw0 h THR 66 Ca -0.16 -0.13 -0.65 0.00 -0.55 0.00 0.00 66.41 64.92 1uw0 h THR 66 Cb 1.94 0.16 -0.24 0.00 -1.73 0.00 0.00 68.15 68.28 1uw0 h THR 66 CO 0.15 0.07 -0.69 0.42 -0.25 0.00 0.00 175.52 175.23 1uw0 s THR 67 N -5.44 3.70 0.03 6.82 -4.23 -1.25 -5.11 115.64 110.16 1uw0 s THR 67 Ca -0.08 -0.40 0.07 0.00 -1.18 0.00 0.00 61.69 60.09 1uw0 s THR 67 Cb 0.24 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 1uw0 s THR 67 CO 0.79 0.44 -0.18 -0.75 -0.54 0.00 0.00 174.62 174.38 1uw0 s LYS 68 N 1.00 2.09 0.07 3.99 2.20 -1.26 -4.72 119.74 123.11 1uw0 s LYS 68 Ca 0.01 -0.96 0.09 0.00 -0.36 0.00 0.00 55.97 54.74 1uw0 s LYS 68 Cb -0.15 -2.19 -0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1uw0 s LYS 68 CO 0.01 0.55 -0.24 0.15 -0.36 0.00 0.00 175.35 175.46 1uw0 s LYS 69 N -1.35 1.45 -0.14 4.03 1.02 -1.26 -4.95 119.74 118.53 1uw0 s LYS 69 Ca 0.14 -1.12 -0.09 0.00 0.02 0.00 0.00 55.97 54.93 1uw0 s LYS 69 Cb -0.10 -1.69 0.03 0.00 -0.52 0.00 0.00 37.83 35.55 1uw0 s LYS 69 CO 0.05 0.42 0.18 -0.89 -0.92 0.00 0.00 175.35 174.18 1uw0 n ILE 70 N 1.48 -9.77 -4.73 2.17 5.41 -1.26 -5.00 119.36 107.66 1uw0 n ILE 70 Ca -0.18 2.03 -0.33 0.00 1.00 0.00 0.00 62.75 65.27 1uw0 n ILE 70 Cb 0.53 -5.51 -0.13 0.00 -0.71 0.00 0.00 39.64 33.82 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 -0.55 3.01 0.92 0.38 2.12 -1.26 -5.04 118.70 118.28 1uw0 s GLU 71 Ca -0.20 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.49 1uw0 s GLU 71 Cb 0.01 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.83 1uw0 s GLU 71 CO 0.59 0.44 0.00 -0.25 -0.54 0.00 0.00 175.26 175.50 1uw0 n ASP 72 N 2.87 -4.52 -4.05 -1.70 9.92 -1.26 -4.41 116.55 113.40 1uw0 n ASP 72 Ca -0.18 0.36 -0.34 0.00 -0.53 0.00 0.00 54.79 54.10 1uw0 n ASP 72 Cb 0.53 -1.08 -0.09 0.00 -0.64 0.00 0.00 41.12 39.84 1uw0 n ASP 72 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1uw0 s LEU 73 N 0.00 5.24 0.04 0.64 2.96 -1.26 -4.73 118.68 121.58 1uw0 s LEU 73 Ca 0.00 -3.51 0.00 0.00 -0.22 0.00 0.00 54.13 50.40 1uw0 s LEU 73 Cb 0.00 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1uw0 s LEU 73 CO 0.00 -0.21 0.00 0.35 -1.32 0.00 0.00 176.35 175.17 1uw0 n THR 74 N 2.56 0.00 -0.32 3.68 -2.24 -1.26 -4.96 114.28 111.75 1uw0 n THR 74 Ca 0.17 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.17 1uw0 n THR 74 Cb 0.36 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.10 1uw0 n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1uw0 h GLU 75 N 0.00 0.39 -7.09 -0.78 5.08 -1.85 -3.40 114.58 106.93 1uw0 h GLU 75 Ca 0.00 -0.02 -0.48 0.00 -1.00 0.00 0.00 59.36 57.85 1uw0 h GLU 75 Cb 0.00 -0.09 0.05 0.00 0.50 0.00 0.00 28.75 29.21 1uw0 h GLU 75 CO 0.00 0.26 0.40 -0.51 -1.00 0.00 0.00 179.01 178.16 1uw0 s LEU 76 N -9.63 3.77 -0.11 1.33 1.02 -1.26 -4.94 118.68 108.86 1uw0 s LEU 76 Ca -0.09 2.02 -0.10 0.00 0.02 0.00 0.00 54.13 55.98 1uw0 s LEU 76 Cb 0.25 -4.57 -0.05 0.00 0.02 0.00 0.00 46.19 41.85 1uw0 s LEU 76 CO 0.80 -1.00 0.23 -1.61 0.02 0.00 0.00 176.35 174.79 1uw0 s GLU 77 N -3.33 3.80 0.00 1.70 0.41 -1.22 -4.50 118.70 115.57 1uw0 s GLU 77 Ca 0.69 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 1uw0 s GLU 77 Cb -0.19 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 1uw0 s GLU 77 CO 0.24 0.59 0.00 0.41 -0.49 0.00 0.00 175.26 176.01 1uw0 n GLY 78 N 2.42 3.86 0.38 -1.39 0.00 -1.26 0.45 105.19 109.65 1uw0 n GLY 78 Ca -0.17 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 0.64 0.00 1.61 5.08 -1.79 0.28 115.95 121.76 1uw0 h TRP 79 Ca 0.00 0.02 -0.08 0.00 1.08 0.00 0.00 58.89 59.91 1uw0 h TRP 79 Cb 0.00 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 25.95 1uw0 h TRP 79 CO 0.00 0.23 -0.36 1.49 -1.28 0.00 0.00 178.44 178.52 1uw0 h GLU 80 N 0.54 0.00 0.02 0.12 4.81 -1.93 -3.27 114.58 114.88 1uw0 h GLU 80 Ca 0.42 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.29 1uw0 h GLU 80 Cb 0.82 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.15 1uw0 h GLU 80 CO -0.16 0.36 -2.21 0.39 -0.73 0.00 0.00 179.01 176.66 1uw0 n GLU 81 N -3.95 0.68 -0.13 1.92 1.02 -0.05 -4.97 120.64 115.15 1uw0 n GLU 81 Ca -0.02 0.14 -0.16 0.00 -0.02 0.00 0.00 57.16 57.11 1uw0 n GLU 81 Cb 0.42 -1.61 0.15 0.00 -0.02 0.00 0.00 31.44 30.38 1uw0 n GLU 81 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1uw0 n LEU 82 N -3.08 0.00 -4.66 -4.62 4.77 0.77 -4.93 117.00 105.25 1uw0 n LEU 82 Ca -0.33 -0.45 -0.31 0.00 -0.03 0.00 0.00 56.01 54.89 1uw0 n LEU 82 Cb 1.07 -0.53 0.17 0.00 -2.33 0.00 0.00 43.42 41.80 1uw0 n LEU 82 CO 0.39 -2.21 0.66 -1.61 -1.33 0.00 0.00 177.39 173.29 1uw0 s GLU 83 N -4.00 0.91 -0.13 3.23 8.01 -1.26 -4.95 118.70 120.51 1uw0 s GLU 83 Ca 0.35 1.36 -0.18 0.00 0.01 0.00 0.00 54.97 56.50 1uw0 s GLU 83 Cb -0.06 -1.73 -0.26 0.00 -4.31 0.00 0.00 34.13 27.77 1uw0 s GLU 83 CO 0.29 -2.64 0.51 -0.44 0.01 0.00 0.00 175.26 172.99 1uw0 h ASP 84 N -1.87 0.27 -0.64 -0.19 3.32 -1.91 -3.11 116.42 112.29 1uw0 h ASP 84 Ca -0.46 -0.81 -0.03 0.00 0.02 0.00 0.00 57.03 55.75 1uw0 h ASP 84 Cb 1.27 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1uw0 h ASP 84 CO 0.45 1.54 0.29 -1.13 -1.72 0.00 0.00 179.24 178.67 1uw0 h ASN 85 N -0.50 0.85 -0.89 6.45 -0.73 -2.00 -2.42 115.58 116.34 1uw0 h ASN 85 Ca -0.28 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 57.73 1uw0 h ASN 85 Cb 1.60 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 39.93 1uw0 h ASN 85 CO 0.00 0.75 0.49 -0.33 -0.37 0.00 0.00 177.43 177.97 1uw0 h GLU 86 N 0.88 1.23 -0.98 6.67 3.07 -1.97 -2.26 114.58 121.24 1uw0 h GLU 86 Ca 0.22 -0.14 0.06 0.00 -0.50 0.00 0.00 59.36 58.99 1uw0 h GLU 86 Cb 0.14 -0.24 -0.06 0.00 -0.84 0.00 0.00 28.75 27.75 1uw0 h GLU 86 CO -0.03 0.90 0.63 -0.22 -1.40 0.00 0.00 179.01 178.90 1uw0 h LYS 87 N 1.24 1.12 -0.76 2.33 3.64 -1.37 -1.78 116.57 120.99 1uw0 h LYS 87 Ca 0.31 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1uw0 h LYS 87 Cb 0.03 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.55 1uw0 h LYS 87 CO -0.05 0.74 0.49 1.49 -2.27 0.00 0.00 179.45 179.85 1uw0 h GLU 88 N 1.16 1.02 -0.55 1.90 4.81 -1.08 -2.04 114.58 119.80 1uw0 h GLU 88 Ca 0.41 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1uw0 h GLU 88 Cb 0.14 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1uw0 h GLU 88 CO -0.15 0.70 0.37 0.37 -0.73 0.00 0.00 179.01 179.56 1uw0 h GLN 89 N 1.04 0.71 -0.88 1.92 4.15 -1.18 -1.98 115.11 118.88 1uw0 h GLN 89 Ca 0.28 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1uw0 h GLN 89 Cb -0.08 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.40 1uw0 h GLN 89 CO -0.06 0.47 0.56 0.82 -1.93 0.00 0.00 178.83 178.70 1uw0 h ILE 90 N 0.73 1.23 -0.77 2.39 1.08 -1.10 -2.22 117.51 118.85 1uw0 h ILE 90 Ca 0.21 -0.46 0.03 0.00 -0.39 0.00 0.00 64.86 64.25 1uw0 h ILE 90 Cb -0.06 -0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 33.60 1uw0 h ILE 90 CO -0.05 0.23 0.49 0.74 -0.69 0.00 0.00 178.15 178.88 1uw0 h THR 91 N 1.21 1.11 -0.75 -0.27 2.02 -1.28 -1.76 112.91 113.19 1uw0 h THR 91 Ca 0.32 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1uw0 h THR 91 Cb -0.11 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.35 1uw0 h THR 91 CO -0.07 0.17 0.29 1.56 0.37 0.00 0.00 175.52 177.85 1uw0 h GLN 92 N 0.95 1.12 -0.84 6.66 1.08 -1.40 -0.98 115.11 121.70 1uw0 h GLN 92 Ca 0.31 -0.21 0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1uw0 h GLN 92 Cb 0.02 -0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 27.22 1uw0 h GLN 92 CO -0.11 0.92 0.54 1.25 -0.95 0.00 0.00 178.83 180.48 1uw0 h HIS 93 N 1.08 1.00 -0.38 2.96 2.76 -0.87 0.10 115.15 121.81 1uw0 h HIS 93 Ca 0.25 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.29 1uw0 h HIS 93 Cb 0.23 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 1uw0 h HIS 93 CO 0.02 0.57 -0.39 0.82 -1.30 0.00 0.00 177.93 177.65 1uw0 h ILE 94 N 1.03 1.27 -0.77 6.26 2.04 -1.00 -2.81 117.51 123.54 1uw0 h ILE 94 Ca 0.34 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1uw0 h ILE 94 Cb 0.04 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1uw0 h ILE 94 CO -0.13 0.52 0.45 0.00 0.00 0.00 0.00 178.15 179.00 1uw0 h ALA 95 N 0.80 1.35 -0.66 1.87 0.00 -0.40 -2.21 119.26 120.01 1uw0 h ALA 95 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1uw0 h ALA 95 Cb 0.98 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1uw0 h ALA 95 CO 0.09 0.55 0.24 0.22 0.00 0.00 0.00 179.25 180.35 1uw0 h ASP 96 N 1.06 0.94 -0.52 0.00 1.82 -0.83 0.84 116.42 119.73 1uw0 h ASP 96 Ca 0.28 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1uw0 h ASP 96 Cb -0.03 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.71 1uw0 h ASP 96 CO -0.05 0.88 0.32 0.25 -1.61 0.00 0.00 179.24 179.02 1uw0 h LEU 97 N 0.95 0.64 0.12 2.28 5.85 -1.16 -3.09 115.31 120.90 1uw0 h LEU 97 Ca 0.22 -0.03 -0.36 0.00 0.84 0.00 0.00 57.88 58.54 1uw0 h LEU 97 Cb 0.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1uw0 h LEU 97 CO -0.01 0.50 -1.96 -1.28 -0.34 0.00 0.00 178.44 175.35 1uw0 h SER 98 N 0.74 0.40 -3.68 1.25 0.87 -1.09 -3.44 113.55 108.59 1uw0 h SER 98 Ca 0.19 -0.89 -0.69 0.00 -1.23 0.00 0.00 61.79 59.18 1uw0 h SER 98 Cb -0.02 -0.13 -0.34 0.00 -0.44 0.00 0.00 62.40 61.48 1uw0 h SER 98 CO -0.04 1.80 -0.66 -0.55 -0.53 0.00 0.00 176.83 176.85 1uw0 s SER 99 N -7.00 4.99 -0.07 6.23 0.15 0.29 -5.09 113.70 113.20 1uw0 s SER 99 Ca -0.21 -1.54 0.04 0.00 0.70 0.00 0.00 55.95 54.94 1uw0 s SER 99 Cb 0.07 -1.74 -0.02 0.00 -1.71 0.00 0.00 66.02 62.62 1uw0 s SER 99 CO 0.78 -0.35 -0.18 -0.75 1.20 0.00 0.00 173.24 173.94 1uw0 s LYS 100 N 1.20 2.75 -0.53 5.44 2.20 -1.24 -4.21 119.74 125.35 1uw0 s LYS 100 Ca -0.00 -0.77 0.05 0.00 -0.36 0.00 0.00 55.97 54.88 1uw0 s LYS 100 Cb -0.21 -2.36 0.19 0.00 -1.51 0.00 0.00 37.83 33.94 1uw0 s LYS 100 CO -0.02 0.43 0.46 0.00 -0.36 0.00 0.00 175.35 175.85 1uw0 n ALA 101 N 2.86 3.10 -3.71 3.13 0.00 -1.26 -5.07 120.51 119.56 1uw0 n ALA 101 Ca -0.17 -3.77 -0.16 0.00 0.00 0.00 0.00 53.44 49.34 1uw0 n ALA 101 Cb 0.52 -0.86 -0.16 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.86 -0.10 -0.31 0.00 0.00 -1.26 -5.04 121.76 114.19 1uw0 s ALA 102 Ca 0.31 0.51 0.18 0.00 0.00 0.00 0.00 51.96 52.96 1uw0 s ALA 102 Cb 0.04 -0.59 0.47 0.00 0.00 0.00 0.00 23.12 23.04 1uw0 s ALA 102 CO -0.16 -0.36 1.03 0.41 0.00 0.00 0.00 175.76 176.68 1uw0 n GLY 103 N 4.81 2.18 2.37 0.00 0.00 -1.26 -4.92 105.19 108.38 1uw0 n GLY 103 Ca -0.15 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 1uw0 n GLY 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uw0 n THR 104 N -0.31 0.36 -2.34 2.61 -1.04 -1.26 -5.10 114.28 107.20 1uw0 n THR 104 Ca 0.12 -4.15 -0.42 0.00 -2.04 0.00 0.00 64.05 57.56 1uw0 n THR 104 Cb 0.81 -0.03 -0.03 0.00 -1.82 0.00 0.00 70.33 69.26 1uw0 n THR 104 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1uw0 s PRO 105 N -2.70 4.38 -0.06 -2.82 0.04 -1.26 -5.03 135.00 127.55 1uw0 s PRO 105 Ca 0.36 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 1uw0 s PRO 105 Cb 0.38 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.59 1uw0 s PRO 105 CO -0.05 -0.34 0.16 -1.59 0.04 0.00 0.00 177.00 175.22 1uw0 s LYS 106 N 1.24 0.18 0.13 4.56 -2.85 -1.26 -5.06 119.74 116.68 1uw0 s LYS 106 Ca 0.61 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.81 1uw0 s LYS 106 Cb -0.31 0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.52 1uw0 s LYS 106 CO 0.29 -0.03 0.00 1.63 0.10 0.00 0.00 175.35 177.33 1uw0 n LYS 107 N 3.10 0.00 0.15 1.78 5.02 -1.26 -5.09 118.16 121.87 1uw0 n LYS 107 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1uw0 n LYS 107 Cb 0.58 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1uw0 n LYS 107 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1uw0 n LYS 108 N -2.99 0.00 -3.74 1.97 4.81 -1.26 -5.09 118.16 111.86 1uw0 n LYS 108 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1uw0 n LYS 108 Cb 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.89 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 1.03 -0.36 3.14 0.00 -1.26 -5.09 121.76 117.22 1uw0 s ALA 109 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1uw0 s ALA 109 Cb 0.00 -1.19 0.10 0.00 0.00 0.00 0.00 23.12 22.04 1uw0 s ALA 109 CO 0.00 -1.17 0.09 0.08 0.00 0.00 0.00 175.76 174.76 1uw0 s VAL 110 N 1.84 2.53 0.01 0.00 1.01 -1.26 -5.09 120.40 119.45 1uw0 s VAL 110 Ca -0.01 -2.27 0.01 0.00 0.00 0.00 0.00 61.98 59.71 1uw0 s VAL 110 Cb -0.17 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1uw0 s VAL 110 CO -0.08 -0.62 -0.03 -0.69 0.00 0.00 0.00 175.10 173.68 1uw0 s VAL 111 N 0.96 0.23 -0.04 2.92 1.01 -1.26 -5.15 120.40 119.07 1uw0 s VAL 111 Ca 0.10 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1uw0 s VAL 111 Cb -0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1uw0 s VAL 111 CO -0.07 -0.10 -0.20 -1.10 0.00 0.00 0.00 175.10 173.63 1uw0 s GLN 112 N -0.51 2.40 -0.13 2.72 -0.21 -1.26 -5.12 119.66 117.55 1uw0 s GLN 112 Ca -0.03 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.55 1uw0 s GLN 112 Cb -0.04 -2.23 -0.00 0.00 1.00 0.00 0.00 33.01 31.74 1uw0 s GLN 112 CO -0.00 0.55 -0.20 0.00 -2.12 0.00 0.00 175.29 173.52 1uw0 s ALA 113 N -0.56 2.33 -0.29 6.09 0.00 -1.26 -5.10 121.76 122.98 1uw0 s ALA 113 Ca 0.08 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1uw0 s ALA 113 Cb -0.11 -1.01 0.08 0.00 0.00 0.00 0.00 23.12 22.08 1uw0 s ALA 113 CO 0.01 0.14 -0.03 0.15 0.00 0.00 0.00 175.76 176.02 1uw0 s LYS 114 N 0.56 1.80 -0.31 0.00 1.02 -1.26 -5.07 119.74 116.47 1uw0 s LYS 114 Ca -0.12 -1.50 0.04 0.00 0.02 0.00 0.00 55.97 54.41 1uw0 s LYS 114 Cb -0.16 -2.93 0.09 0.00 -0.52 0.00 0.00 37.83 34.30 1uw0 s LYS 114 CO 0.04 -0.74 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.22 1uw0 s LEU 115 N 1.08 4.22 -0.08 3.17 1.43 -1.26 -5.08 118.68 122.17 1uw0 s LEU 115 Ca 0.00 -1.87 -0.02 0.00 -1.03 0.00 0.00 54.13 51.21 1uw0 s LEU 115 Cb -0.19 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1uw0 s LEU 115 CO -0.07 -0.31 0.02 0.42 0.23 0.00 0.00 176.35 176.64 1uw0 s THR 116 N 0.99 0.25 -0.31 5.49 -4.23 -1.26 -5.38 115.64 111.20 1uw0 s THR 116 Ca 0.04 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1uw0 s THR 116 Cb -0.19 -0.49 0.02 0.00 1.34 0.00 0.00 72.50 73.18 1uw0 s THR 116 CO -0.07 0.17 0.58 0.41 -0.54 0.00 0.00 174.62 175.17