#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 0.00 -4.02 -5.12 0.00 -1.26 -5.13 120.51 104.98 1uw0 n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1uw0 n ALA 2 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1uw0 n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1uw0 s GLU 3 N -0.65 1.74 -0.04 0.00 2.02 -1.26 -5.10 118.70 115.41 1uw0 s GLU 3 Ca 0.00 -1.59 0.06 0.00 0.02 0.00 0.00 54.97 53.46 1uw0 s GLU 3 Cb 0.00 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 1uw0 s GLU 3 CO 0.00 -0.78 -0.20 -0.65 0.02 0.00 0.00 175.26 173.65 1uw0 s GLN 4 N 1.04 2.36 -0.01 1.61 -0.21 -1.26 -4.33 119.66 118.86 1uw0 s GLN 4 Ca 0.02 -0.82 -0.03 0.00 0.02 0.00 0.00 55.36 54.55 1uw0 s GLN 4 Cb -0.19 -2.22 -0.00 0.00 1.00 0.00 0.00 33.01 31.60 1uw0 s GLN 4 CO -0.07 0.56 0.07 0.50 -2.12 0.00 0.00 175.29 174.22 1uw0 s ARG 5 N -0.59 0.24 -0.02 2.91 3.52 -1.19 -4.99 118.95 118.83 1uw0 s ARG 5 Ca 0.09 -0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.56 1uw0 s ARG 5 Cb -0.11 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.36 1uw0 s ARG 5 CO 0.00 -0.05 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.17 1uw0 s PHE 6 N -0.68 2.47 -0.08 5.12 0.40 -1.26 0.42 117.98 124.37 1uw0 s PHE 6 Ca -0.08 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1uw0 s PHE 6 Cb -0.05 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.97 1uw0 s PHE 6 CO 0.00 0.07 -0.08 0.00 0.70 0.00 0.00 175.22 175.91 1uw0 s VAL 8 N 1.21 4.83 -0.20 0.00 -7.23 0.59 0.93 120.40 120.53 1uw0 s VAL 8 Ca -0.05 -0.03 -0.04 0.00 -1.81 0.00 0.00 61.98 60.04 1uw0 s VAL 8 Cb -0.14 -3.13 0.08 0.00 0.56 0.00 0.00 36.38 33.75 1uw0 s VAL 8 CO -0.02 0.53 0.13 -1.81 -0.31 0.00 0.00 175.10 173.62 1uw0 s ASP 9 N -0.20 2.30 0.86 4.85 1.11 -0.71 -4.20 116.67 120.69 1uw0 s ASP 9 Ca 0.08 -0.64 -0.14 0.00 0.18 0.00 0.00 52.55 52.02 1uw0 s ASP 9 Cb -0.12 -0.10 -0.01 0.00 1.07 0.00 0.00 42.92 43.76 1uw0 s ASP 9 CO 0.01 -0.36 0.37 -1.22 1.18 0.00 0.00 175.17 175.15 1uw0 n TYR 10 N 5.28 -1.46 -2.94 4.23 4.01 -1.26 -3.80 117.16 121.22 1uw0 n TYR 10 Ca -0.06 0.26 -0.39 0.00 -0.16 0.00 0.00 57.90 57.54 1uw0 n TYR 10 Cb 0.48 -1.81 -0.06 0.00 -0.31 0.00 0.00 39.34 37.64 1uw0 n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uw0 s ALA 11 N -2.18 3.43 0.15 -0.72 0.00 -1.02 -4.88 121.76 116.55 1uw0 s ALA 11 Ca 0.59 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1uw0 s ALA 11 Cb -0.26 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1uw0 s ALA 11 CO 0.65 0.28 0.00 1.63 0.00 0.00 0.00 175.76 178.32 1uw0 n LYS 12 N 1.58 0.00 -3.80 0.00 4.76 -1.26 -3.44 118.16 116.00 1uw0 n LYS 12 Ca -0.05 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 1uw0 n LYS 12 Cb 0.48 -0.31 -0.12 0.00 -1.84 0.00 0.00 35.03 33.24 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 -2.00 0.28 0.00 1.97 3.00 -1.26 -4.11 118.95 116.82 1uw0 s ARG 13 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 55.73 56.01 1uw0 s ARG 13 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 34.95 35.08 1uw0 s ARG 13 CO 0.00 -0.04 0.00 0.41 0.00 0.00 0.00 175.30 175.67 1uw0 n GLY 14 N 2.88 2.57 3.30 -3.53 0.00 -1.26 -4.90 105.19 104.24 1uw0 n GLY 14 Ca -0.13 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.91 2.72 -0.02 2.61 2.01 -1.26 -4.20 115.64 115.58 1uw0 s THR 15 Ca 0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1uw0 s THR 15 Cb 0.00 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.41 1uw0 s THR 15 CO 0.00 0.53 0.00 0.00 -0.69 0.00 0.00 174.62 174.46 1uw0 s ALA 16 N 0.50 0.23 0.10 7.40 0.00 -1.06 -4.93 121.76 124.00 1uw0 s ALA 16 Ca -0.11 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.71 1uw0 s ALA 16 Cb -0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 23.12 22.59 1uw0 s ALA 16 CO 0.05 -0.06 1.87 0.41 0.00 0.00 0.00 175.76 178.02 1uw0 n GLY 17 N 3.98 1.71 3.69 0.00 0.00 -1.26 -1.53 105.19 111.79 1uw0 n GLY 17 Ca -0.25 0.74 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 1uw0 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uw0 s LYS 19 N 2.42 2.95 -1.11 0.00 3.01 0.28 -3.24 119.74 124.05 1uw0 s LYS 19 Ca 0.73 1.14 0.00 0.00 -1.01 0.00 0.00 55.97 56.83 1uw0 s LYS 19 Cb -0.40 -1.99 0.00 0.00 -1.01 0.00 0.00 37.83 34.43 1uw0 s LYS 19 CO 0.32 -1.10 0.00 1.17 0.51 0.00 0.00 175.35 176.25 1uw0 n LYS 20 N -2.69 -1.19 -3.63 1.68 3.00 -1.26 -4.01 118.16 110.05 1uw0 n LYS 20 Ca 0.09 0.82 -0.03 0.00 -0.00 0.00 0.00 58.31 59.19 1uw0 n LYS 20 Cb 0.53 -4.96 -0.04 0.00 0.00 0.00 0.00 35.03 30.57 1uw0 n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uw0 s LYS 22 N -1.31 3.49 0.07 0.00 1.02 -1.26 -4.40 119.74 117.35 1uw0 s LYS 22 Ca 0.08 -1.59 -0.08 0.00 0.02 0.00 0.00 55.97 54.41 1uw0 s LYS 22 Cb -0.01 -4.77 0.03 0.00 -0.52 0.00 0.00 37.83 32.56 1uw0 s LYS 22 CO -0.06 -1.77 0.37 -1.91 -0.92 0.00 0.00 175.35 171.06 1uw0 n GLU 23 N 6.72 0.25 -3.99 1.68 2.13 -1.26 -5.01 120.64 121.16 1uw0 n GLU 23 Ca 0.18 -0.56 -0.10 0.00 0.66 0.00 0.00 57.16 57.34 1uw0 n GLU 23 Cb 0.48 0.75 -0.11 0.00 0.27 0.00 0.00 31.44 32.83 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 0.33 -0.13 5.31 1.02 -1.26 -0.22 119.74 122.77 1uw0 s LYS 24 Ca 0.08 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 1uw0 s LYS 24 Cb -0.01 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.30 1uw0 s LYS 24 CO 0.02 -0.02 -0.10 0.42 -0.92 0.00 0.00 175.35 174.75 1uw0 s ILE 25 N -1.30 3.36 -0.45 2.17 1.01 -0.58 -4.83 121.20 120.58 1uw0 s ILE 25 Ca -0.13 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1uw0 s ILE 25 Cb -0.09 -2.43 0.18 0.00 0.01 0.00 0.00 42.46 40.13 1uw0 s ILE 25 CO -0.01 0.52 0.60 0.54 0.00 0.00 0.00 174.94 176.60 1uw0 s VAL 26 N 0.24 -0.73 -0.07 2.92 0.11 -1.26 -2.57 120.40 119.04 1uw0 s VAL 26 Ca -0.06 -0.94 -0.05 0.00 -2.93 0.00 0.00 61.98 58.00 1uw0 s VAL 26 Cb -0.15 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 1uw0 s VAL 26 CO 0.04 -0.24 0.09 1.17 -3.33 0.00 0.00 175.10 172.83 1uw0 n LYS 27 N 3.52 -2.68 0.00 1.54 0.00 -1.26 -4.79 118.16 114.49 1uw0 n LYS 27 Ca 0.17 2.12 0.00 0.00 0.00 0.00 0.00 58.31 60.60 1uw0 n LYS 27 Cb 0.54 -2.63 0.00 0.00 0.00 0.00 0.00 35.03 32.93 1uw0 n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uw0 n GLY 28 N 2.14 1.18 3.18 3.14 0.00 -1.22 -4.93 105.19 108.68 1uw0 n GLY 28 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.18 1.47 0.27 1.61 0.11 -1.26 -4.97 120.40 117.45 1uw0 s VAL 29 Ca 0.00 -0.79 -0.28 0.00 -2.93 0.00 0.00 61.98 57.98 1uw0 s VAL 29 Cb 0.00 -1.23 -0.09 0.00 -1.53 0.00 0.00 36.38 33.53 1uw0 s VAL 29 CO 0.00 0.42 0.93 0.00 -3.33 0.00 0.00 175.10 173.12 1uw0 s ARG 31 N -1.50 1.02 -0.17 0.00 1.70 -1.25 -3.99 118.95 114.76 1uw0 s ARG 31 Ca 0.44 -0.68 -0.03 0.00 -0.47 0.00 0.00 55.73 54.99 1uw0 s ARG 31 Cb -0.23 -1.02 -0.02 0.00 -0.57 0.00 0.00 34.95 33.11 1uw0 s ARG 31 CO 0.29 0.26 -0.06 0.42 -1.08 0.00 0.00 175.30 175.13 1uw0 s ILE 32 N -0.67 3.53 0.15 4.99 1.01 -0.57 -1.74 121.20 127.91 1uw0 s ILE 32 Ca 0.03 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.27 1uw0 s ILE 32 Cb -0.07 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1uw0 s ILE 32 CO 0.01 0.47 0.10 -0.83 0.00 0.00 0.00 174.94 174.68 1uw0 s GLY 33 N 0.75 1.76 0.02 6.18 0.00 0.26 -3.16 107.32 113.14 1uw0 s GLY 33 Ca -0.02 -1.22 0.06 0.00 0.00 0.00 0.00 44.72 43.53 1uw0 s GLY 33 CO 0.02 -1.23 -0.16 -1.59 0.00 0.00 0.00 173.10 170.13 1uw0 s LYS 34 N -2.96 1.18 -0.35 2.90 -2.85 -1.24 0.10 119.74 116.52 1uw0 s LYS 34 Ca 0.30 -0.74 -0.07 0.00 -1.00 0.00 0.00 55.97 54.46 1uw0 s LYS 34 Cb -0.10 -1.20 0.04 0.00 -2.06 0.00 0.00 37.83 34.51 1uw0 s LYS 34 CO 0.22 0.31 0.13 0.08 0.10 0.00 0.00 175.35 176.19 1uw0 s VAL 35 N -0.66 3.94 -0.27 1.79 1.01 0.17 -3.67 120.40 122.72 1uw0 s VAL 35 Ca 0.05 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1uw0 s VAL 35 Cb -0.07 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1uw0 s VAL 35 CO 0.01 -0.21 -0.05 -0.69 0.00 0.00 0.00 175.10 174.16 1uw0 s VAL 36 N 1.43 2.86 0.52 2.92 1.01 -0.74 -3.19 120.40 125.20 1uw0 s VAL 36 Ca -0.01 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 1uw0 s VAL 36 Cb -0.20 -2.53 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 1uw0 s VAL 36 CO 0.03 0.09 1.09 -2.16 0.00 0.00 0.00 175.10 174.15 1uw0 s PRO 37 N 1.29 3.56 0.30 2.72 0.04 -1.26 -2.25 135.00 139.40 1uw0 s PRO 37 Ca -0.02 1.49 0.07 0.00 0.04 0.00 0.00 61.00 62.58 1uw0 s PRO 37 Cb -0.18 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1uw0 s PRO 37 CO -0.03 -0.66 0.36 -0.80 0.04 0.00 0.00 177.00 175.91 1uw0 s ASN 38 N -1.88 5.82 0.49 6.66 0.02 -1.21 -4.96 114.94 119.88 1uw0 s ASN 38 Ca 0.70 -0.22 -0.21 0.00 -1.02 0.00 0.00 52.86 52.12 1uw0 s ASN 38 Cb -0.20 -1.33 -0.07 0.00 0.02 0.00 0.00 41.25 39.67 1uw0 s ASN 38 CO 0.24 -0.28 1.10 -2.16 0.02 0.00 0.00 177.10 176.02 1uw0 s PRO 39 N -4.04 3.66 -0.15 -0.60 0.04 -1.26 -4.51 135.00 128.13 1uw0 s PRO 39 Ca 0.40 1.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 1uw0 s PRO 39 Cb -0.08 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1uw0 s PRO 39 CO 0.29 -0.59 0.15 0.34 0.04 0.00 0.00 177.00 177.22 1uw0 n PHE 40 N -0.89 -3.19 -3.99 0.56 -0.00 -1.26 -5.02 117.46 103.67 1uw0 n PHE 40 Ca 0.09 1.77 -0.23 0.00 -0.00 0.00 0.00 57.45 59.09 1uw0 n PHE 40 Cb 0.51 -3.14 -0.17 0.00 -0.00 0.00 0.00 39.48 36.68 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 -0.69 1.54 -0.24 -2.13 0.01 -1.26 -5.00 113.70 105.92 1uw0 s SER 41 Ca -0.17 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 56.84 1uw0 s SER 41 Cb 0.01 -0.56 -0.11 0.00 0.21 0.00 0.00 66.02 65.56 1uw0 s SER 41 CO 0.58 -0.12 -0.28 1.21 0.41 0.00 0.00 173.24 175.04 1uw0 n GLU 42 N 4.66 0.52 -0.02 12.44 2.13 -1.26 -4.74 120.64 134.36 1uw0 n GLU 42 Ca -0.15 0.20 -0.21 0.00 0.66 0.00 0.00 57.16 57.66 1uw0 n GLU 42 Cb 0.50 -1.38 -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 -0.66 0.30 0.00 4.31 0.87 -2.05 -3.49 113.55 112.83 1uw0 h SER 43 Ca -0.59 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 59.17 1uw0 h SER 43 Cb 1.59 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 1uw0 h SER 43 CO -0.30 1.66 0.00 0.61 -0.53 0.00 0.00 176.83 178.27 1uw0 n GLY 44 N 1.74 1.36 0.00 5.77 0.00 -1.26 -5.11 105.19 107.70 1uw0 n GLY 44 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.69 3.04 -0.02 0.00 -1.26 -4.74 105.19 102.90 1uw0 n GLY 45 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.73 -0.25 -0.12 1.61 1.11 -1.26 -3.28 116.67 113.74 1uw0 s ASP 46 Ca 0.00 0.50 0.02 0.00 0.18 0.00 0.00 52.55 53.25 1uw0 s ASP 46 Cb 0.00 0.39 -0.00 0.00 1.07 0.00 0.00 42.92 44.37 1uw0 s ASP 46 CO 0.00 -0.16 -0.19 -0.04 1.18 0.00 0.00 175.17 175.95 1uw0 s MET 47 N 1.25 3.15 -0.11 8.23 -1.94 -0.95 -4.93 119.30 123.99 1uw0 s MET 47 Ca -0.09 -0.81 0.01 0.00 -1.71 0.00 0.00 55.69 53.09 1uw0 s MET 47 Cb -0.10 -2.46 0.02 0.00 2.01 0.00 0.00 34.83 34.29 1uw0 s MET 47 CO -0.08 0.12 -0.12 0.21 -0.01 0.00 0.00 175.02 175.14 1uw0 s LYS 48 N 0.52 1.96 0.01 2.03 2.20 -1.26 -1.80 119.74 123.40 1uw0 s LYS 48 Ca -0.12 -0.45 0.08 0.00 -0.36 0.00 0.00 55.97 55.11 1uw0 s LYS 48 Cb -0.17 -1.78 -0.03 0.00 -1.51 0.00 0.00 37.83 34.34 1uw0 s LYS 48 CO 0.05 -0.15 -0.23 -1.21 -0.36 0.00 0.00 175.35 173.44 1uw0 s GLU 49 N 1.28 2.06 -0.36 4.03 2.02 -1.24 -4.94 118.70 121.55 1uw0 s GLU 49 Ca -0.01 -0.97 -0.14 0.00 0.02 0.00 0.00 54.97 53.87 1uw0 s GLU 49 Cb -0.14 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 1uw0 s GLU 49 CO -0.05 0.55 0.29 -1.58 0.02 0.00 0.00 175.26 174.48 1uw0 s TRP 50 N -0.76 3.22 0.41 1.61 0.23 -1.26 -3.68 118.94 118.71 1uw0 s TRP 50 Ca 0.12 -0.25 0.04 0.00 -2.03 0.00 0.00 56.10 53.98 1uw0 s TRP 50 Cb -0.10 -2.56 -0.04 0.00 0.03 0.00 0.00 33.47 30.80 1uw0 s TRP 50 CO 0.02 -0.43 0.05 1.52 0.96 0.00 0.00 176.95 179.06 1uw0 s TYR 51 N 1.80 2.01 0.27 -1.98 1.13 -1.19 0.10 117.35 119.49 1uw0 s TYR 51 Ca 0.07 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 54.76 1uw0 s TYR 51 Cb -0.17 -1.44 0.05 0.00 -1.10 0.00 0.00 41.96 39.30 1uw0 s TYR 51 CO 0.11 0.08 0.38 0.72 -2.51 0.00 0.00 175.55 174.33 1uw0 n HIS 52 N -0.95 -3.18 -0.06 -3.49 8.25 -1.26 -1.51 115.22 113.01 1uw0 n HIS 52 Ca -0.08 -0.68 -0.06 0.00 -0.26 0.00 0.00 57.72 56.63 1uw0 n HIS 52 Cb 0.66 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.43 0.52 -0.90 1.59 1.08 -1.97 -2.78 117.51 114.62 1uw0 h ILE 53 Ca -0.12 -1.44 0.04 0.00 -0.39 0.00 0.00 64.86 62.95 1uw0 h ILE 53 Cb 0.47 1.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 1uw0 h ILE 53 CO 0.14 0.18 0.59 0.50 -0.69 0.00 0.00 178.15 178.86 1uw0 h LYS 54 N -1.00 1.08 0.13 2.37 3.64 -1.96 0.88 116.57 121.71 1uw0 h LYS 54 Ca -0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1uw0 h LYS 54 Cb 0.46 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1uw0 h LYS 54 CO -0.02 0.71 -0.06 0.00 -2.27 0.00 0.00 179.45 177.81 1uw0 h MET 56 N -0.19 0.45 -0.02 0.00 1.85 -1.12 -2.81 114.93 113.09 1uw0 h MET 56 Ca -0.02 -0.21 -0.03 0.00 -0.61 0.00 0.00 59.70 58.83 1uw0 h MET 56 Cb 0.15 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 1uw0 h MET 56 CO 0.03 0.76 -0.14 0.74 -0.40 0.00 0.00 176.91 177.89 1uw0 h PHE 57 N 0.14 0.03 -0.51 1.39 -1.00 0.91 -1.82 116.94 116.08 1uw0 h PHE 57 Ca 0.04 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 1uw0 h PHE 57 Cb 0.64 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.17 1uw0 h PHE 57 CO 0.07 0.17 0.04 1.49 -1.61 0.00 0.00 178.31 178.47 1uw0 h GLU 58 N 0.03 0.87 -0.59 1.51 4.22 0.90 -2.19 114.58 119.34 1uw0 h GLU 58 Ca 0.01 -0.26 -0.08 0.00 0.08 0.00 0.00 59.36 59.11 1uw0 h GLU 58 Cb 0.27 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1uw0 h GLU 58 CO 0.02 0.88 0.06 0.87 -2.18 0.00 0.00 179.01 178.66 1uw0 h LYS 59 N 0.74 1.00 -0.93 1.92 1.79 -1.17 -2.60 116.57 117.32 1uw0 h LYS 59 Ca 0.15 -0.29 0.10 0.00 -2.18 0.00 0.00 60.65 58.43 1uw0 h LYS 59 Cb 0.46 -0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 30.93 1uw0 h LYS 59 CO 0.02 0.96 0.57 -0.07 -1.08 0.00 0.00 179.45 179.85 1uw0 h LEU 60 N 0.89 0.84 -1.61 2.94 4.07 -1.08 0.15 115.31 121.52 1uw0 h LEU 60 Ca 0.17 0.04 0.10 0.00 0.08 0.00 0.00 57.88 58.28 1uw0 h LEU 60 Cb 0.47 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 1uw0 h LEU 60 CO 0.02 0.48 0.42 -0.08 -1.08 0.00 0.00 178.44 178.20 1uw0 h GLU 61 N 0.94 0.42 -0.79 1.13 4.81 -1.00 -0.42 114.58 119.69 1uw0 h GLU 61 Ca 0.44 -0.03 -0.42 0.00 -0.13 0.00 0.00 59.36 59.23 1uw0 h GLU 61 Cb 0.38 -0.09 -0.25 0.00 0.63 0.00 0.00 28.75 29.42 1uw0 h GLU 61 CO -0.24 0.28 0.40 0.54 -0.73 0.00 0.00 179.01 179.26 1uw0 n ARG 62 N -4.47 2.16 -3.92 1.92 1.74 0.45 -4.99 116.66 109.56 1uw0 n ARG 62 Ca 0.11 -3.11 -0.23 0.00 -0.77 0.00 0.00 57.85 53.84 1uw0 n ARG 62 Cb 0.39 -2.07 -0.06 0.00 -1.02 0.00 0.00 32.46 29.70 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 -3.33 3.75 0.40 7.54 0.00 -0.17 -5.04 121.76 124.93 1uw0 s ALA 63 Ca 0.53 -2.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.42 1uw0 s ALA 63 Cb 0.46 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1uw0 s ALA 63 CO 0.06 -0.17 0.72 1.03 0.00 0.00 0.00 175.76 177.40 1uw0 s ARG 64 N -3.98 3.66 0.20 0.00 0.52 -1.26 -5.00 118.95 113.09 1uw0 s ARG 64 Ca 0.43 0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.92 1uw0 s ARG 64 Cb 0.01 -2.45 0.12 0.00 0.52 0.00 0.00 34.95 33.15 1uw0 s ARG 64 CO 0.25 -0.03 1.48 0.00 0.02 0.00 0.00 175.30 177.01 1uw0 h ALA 65 N 1.01 0.69 -0.99 2.13 0.00 -2.00 -3.21 119.26 116.89 1uw0 h ALA 65 Ca -0.47 -0.60 0.23 0.00 0.00 0.00 0.00 54.91 54.06 1uw0 h ALA 65 Cb 1.19 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1uw0 h ALA 65 CO 0.63 0.78 0.64 1.15 0.00 0.00 0.00 179.25 182.45 1uw0 h THR 66 N 0.20 0.61 -3.48 0.00 2.02 -2.05 -3.36 112.91 106.85 1uw0 h THR 66 Ca -0.02 -0.16 -0.67 0.00 0.77 0.00 0.00 66.41 66.33 1uw0 h THR 66 Cb 1.26 0.10 -0.29 0.00 -1.74 0.00 0.00 68.15 67.48 1uw0 h THR 66 CO 0.11 0.09 -0.71 -0.89 0.37 0.00 0.00 175.52 174.49 1uw0 s THR 67 N -5.54 3.28 0.03 3.16 2.01 -1.21 -5.10 115.64 112.27 1uw0 s THR 67 Ca -0.09 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.24 1uw0 s THR 67 Cb 0.24 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1uw0 s THR 67 CO 0.79 0.27 -0.19 -0.75 -0.69 0.00 0.00 174.62 174.05 1uw0 s LYS 68 N 1.42 2.08 0.16 4.92 2.20 -1.26 -4.62 119.74 124.64 1uw0 s LYS 68 Ca 0.03 -0.97 0.08 0.00 -0.36 0.00 0.00 55.97 54.75 1uw0 s LYS 68 Cb -0.16 -2.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 1uw0 s LYS 68 CO -0.03 0.54 -0.17 0.15 -0.36 0.00 0.00 175.35 175.49 1uw0 s LYS 69 N -1.33 1.21 -0.14 4.03 3.01 -1.26 -4.98 119.74 120.28 1uw0 s LYS 69 Ca 0.14 -1.38 -0.08 0.00 -1.01 0.00 0.00 55.97 53.63 1uw0 s LYS 69 Cb -0.10 -1.20 0.03 0.00 -1.01 0.00 0.00 37.83 35.55 1uw0 s LYS 69 CO 0.04 0.24 0.17 -0.89 0.51 0.00 0.00 175.35 175.42 1uw0 n ILE 70 N 0.29 -9.53 -4.57 2.17 5.41 -1.26 -4.99 119.36 106.88 1uw0 n ILE 70 Ca -0.13 1.97 -0.33 0.00 1.00 0.00 0.00 62.75 65.25 1uw0 n ILE 70 Cb 0.57 -5.44 -0.13 0.00 -0.71 0.00 0.00 39.64 33.94 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 -0.56 3.37 1.54 0.38 0.41 -1.26 -5.03 118.70 117.55 1uw0 s GLU 71 Ca -0.19 -0.58 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 1uw0 s GLU 71 Cb 0.01 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 1uw0 s GLU 71 CO 0.57 0.33 0.00 -3.47 -0.49 0.00 0.00 175.26 172.21 1uw0 n ASP 72 N 3.22 -2.54 -0.01 -0.19 2.03 -1.26 -4.36 116.55 113.44 1uw0 n ASP 72 Ca -0.18 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.08 1uw0 n ASP 72 Cb 0.53 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.91 1uw0 n ASP 72 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1uw0 n LEU 73 N 0.00 1.01 -0.28 -2.67 7.94 -1.26 -4.69 117.00 117.05 1uw0 n LEU 73 Ca 0.00 0.15 0.14 0.00 -1.11 0.00 0.00 56.01 55.20 1uw0 n LEU 73 Cb 0.00 -0.36 0.41 0.00 0.53 0.00 0.00 43.42 44.00 1uw0 n LEU 73 CO 0.00 -0.25 1.22 0.71 -1.11 0.00 0.00 177.39 177.95 1uw0 h THR 74 N -0.30 0.77 -0.94 1.96 1.35 -2.02 -0.88 112.91 112.84 1uw0 h THR 74 Ca -0.10 -0.21 0.26 0.00 -0.55 0.00 0.00 66.41 65.81 1uw0 h THR 74 Cb 0.70 0.09 -0.05 0.00 -1.73 0.00 0.00 68.15 67.17 1uw0 h THR 74 CO -0.06 0.11 0.67 -0.33 -0.25 0.00 0.00 175.52 175.66 1uw0 h GLU 75 N 0.62 0.08 -6.70 4.72 4.39 -1.84 -3.41 114.58 112.44 1uw0 h GLU 75 Ca 0.48 -0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.67 1uw0 h GLU 75 Cb 0.88 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1uw0 h GLU 75 CO -0.23 0.05 0.05 -0.51 -1.16 0.00 0.00 179.01 177.21 1uw0 s LEU 76 N -8.69 3.99 -0.09 1.33 1.43 -0.34 -4.99 118.68 111.33 1uw0 s LEU 76 Ca -0.06 1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 54.04 1uw0 s LEU 76 Cb 0.22 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1uw0 s LEU 76 CO 0.78 -0.26 0.29 -0.70 0.23 0.00 0.00 176.35 176.69 1uw0 s GLU 77 N -3.33 3.86 0.00 1.70 2.12 -1.23 -4.54 118.70 117.29 1uw0 s GLU 77 Ca 0.51 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.98 1uw0 s GLU 77 Cb -0.10 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1uw0 s GLU 77 CO 0.24 0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.96 1uw0 n GLY 78 N 2.32 3.91 0.45 -1.50 0.00 -1.26 -0.30 105.19 108.81 1uw0 n GLY 78 Ca -0.15 -0.68 0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 0.21 -0.52 1.61 5.08 -1.80 -0.36 115.95 120.18 1uw0 h TRP 79 Ca 0.00 0.01 0.15 0.00 1.08 0.00 0.00 58.89 60.13 1uw0 h TRP 79 Cb 0.00 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.08 1uw0 h TRP 79 CO 0.00 0.04 0.44 1.49 -1.28 0.00 0.00 178.44 179.13 1uw0 h GLU 80 N 0.15 0.00 -0.38 0.12 4.22 -1.92 -1.38 114.58 115.38 1uw0 h GLU 80 Ca 0.47 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.80 1uw0 h GLU 80 Cb 1.59 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.78 1uw0 h GLU 80 CO -0.08 0.00 0.03 -1.91 -2.18 0.00 0.00 179.01 174.87 1uw0 n GLU 81 N -4.06 2.60 -0.75 1.92 2.13 -0.15 -5.01 120.64 117.34 1uw0 n GLU 81 Ca 0.10 -3.00 0.00 0.00 0.66 0.00 0.00 57.16 54.92 1uw0 n GLU 81 Cb 0.65 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.47 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 -0.72 0.00 -4.92 4.31 4.77 -0.52 -5.04 117.00 114.89 1uw0 n LEU 82 Ca 0.29 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 56.01 1uw0 n LEU 82 Cb 1.03 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.13 1uw0 n LEU 82 CO 0.22 -0.11 0.44 -0.70 -1.33 0.00 0.00 177.39 175.91 1uw0 s GLU 83 N 0.02 3.31 -0.08 3.23 2.12 -1.26 -4.98 118.70 121.06 1uw0 s GLU 83 Ca 0.00 0.04 -0.27 0.00 0.36 0.00 0.00 54.97 55.10 1uw0 s GLU 83 Cb 0.00 -2.38 -0.24 0.00 0.26 0.00 0.00 34.13 31.77 1uw0 s GLU 83 CO 0.00 -0.34 0.97 -0.44 -0.54 0.00 0.00 175.26 174.92 1uw0 h ASP 84 N 0.16 0.07 -0.65 -1.70 3.32 -1.99 -2.02 116.42 113.61 1uw0 h ASP 84 Ca -0.47 -0.80 -0.02 0.00 0.02 0.00 0.00 57.03 55.77 1uw0 h ASP 84 Cb 1.23 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1uw0 h ASP 84 CO 0.61 0.86 0.34 0.78 -1.72 0.00 0.00 179.24 180.11 1uw0 h ASN 85 N -0.72 0.83 -0.79 6.45 4.21 -2.01 -2.28 115.58 121.26 1uw0 h ASN 85 Ca -0.01 -0.11 -0.03 0.00 1.21 0.00 0.00 56.30 57.36 1uw0 h ASN 85 Cb 0.87 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 37.83 1uw0 h ASN 85 CO 0.02 0.70 0.37 -0.33 -1.29 0.00 0.00 177.43 176.89 1uw0 h GLU 86 N 0.89 1.15 -0.99 0.81 5.08 -1.97 -2.50 114.58 117.05 1uw0 h GLU 86 Ca 0.23 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1uw0 h GLU 86 Cb 0.07 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1uw0 h GLU 86 CO -0.03 0.90 0.65 -0.22 -1.00 0.00 0.00 179.01 179.31 1uw0 h LYS 87 N 1.13 1.26 -0.98 2.33 3.11 -0.86 -2.06 116.57 120.50 1uw0 h LYS 87 Ca 0.27 -0.08 0.04 0.00 -2.81 0.00 0.00 60.65 58.08 1uw0 h LYS 87 Cb 0.14 -0.28 -0.06 0.00 -1.00 0.00 0.00 32.23 31.03 1uw0 h LYS 87 CO -0.03 0.83 0.64 1.49 -2.81 0.00 0.00 179.45 179.57 1uw0 h GLU 88 N 1.30 1.18 -0.61 1.90 4.81 -0.96 -1.71 114.58 120.48 1uw0 h GLU 88 Ca 0.38 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1uw0 h GLU 88 Cb -0.07 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.01 1uw0 h GLU 88 CO -0.10 0.78 0.40 1.96 -0.73 0.00 0.00 179.01 181.32 1uw0 h GLN 89 N 1.22 0.75 -0.29 1.92 4.20 -1.28 -1.92 115.11 119.71 1uw0 h GLN 89 Ca 0.40 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.90 1uw0 h GLN 89 Cb 0.05 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1uw0 h GLN 89 CO -0.13 0.50 -0.47 0.82 -0.67 0.00 0.00 178.83 178.88 1uw0 h ILE 90 N 0.78 1.29 -0.72 2.54 1.08 -1.27 -3.02 117.51 118.19 1uw0 h ILE 90 Ca 0.23 -1.66 -0.04 0.00 -0.39 0.00 0.00 64.86 63.00 1uw0 h ILE 90 Cb -0.01 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 1uw0 h ILE 90 CO -0.06 0.54 0.27 0.74 -0.69 0.00 0.00 178.15 178.95 1uw0 h THR 91 N 0.61 1.25 -0.70 -0.27 2.02 -1.04 -2.23 112.91 112.55 1uw0 h THR 91 Ca 0.03 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.49 1uw0 h THR 91 Cb 1.04 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1uw0 h THR 91 CO 0.10 0.32 0.46 1.56 0.37 0.00 0.00 175.52 178.33 1uw0 h GLN 92 N 1.04 0.66 -0.22 6.66 4.20 -1.25 -2.04 115.11 124.17 1uw0 h GLN 92 Ca 0.24 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.95 1uw0 h GLN 92 Cb 0.22 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1uw0 h GLN 92 CO -0.02 0.44 -0.06 0.45 -0.67 0.00 0.00 178.83 178.98 1uw0 h HIS 93 N 0.68 -0.12 -0.53 2.96 3.86 -1.34 0.85 115.15 121.51 1uw0 h HIS 93 Ca 0.31 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.45 1uw0 h HIS 93 Cb 0.32 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1uw0 h HIS 93 CO -0.00 -0.10 -0.01 0.82 0.86 0.00 0.00 177.93 179.50 1uw0 h ILE 94 N -0.00 1.26 -0.50 2.45 5.03 -1.47 -2.01 117.51 122.27 1uw0 h ILE 94 Ca 0.11 -1.09 -0.12 0.00 -0.12 0.00 0.00 64.86 63.63 1uw0 h ILE 94 Cb 0.16 0.85 -0.01 0.00 -3.03 0.00 0.00 36.82 34.79 1uw0 h ILE 94 CO -0.23 0.39 -0.18 0.00 -0.68 0.00 0.00 178.15 177.45 1uw0 h ALA 95 N 1.14 0.74 -0.85 1.87 0.00 -0.65 0.85 119.26 122.36 1uw0 h ALA 95 Ca 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1uw0 h ALA 95 Cb 0.51 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1uw0 h ALA 95 CO 0.03 0.67 0.40 0.22 0.00 0.00 0.00 179.25 180.57 1uw0 h ASP 96 N 0.86 1.11 0.57 0.00 1.82 0.96 -2.47 116.42 119.27 1uw0 h ASP 96 Ca 0.12 -0.14 -0.29 0.00 -0.39 0.00 0.00 57.03 56.34 1uw0 h ASP 96 Cb 0.75 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1uw0 h ASP 96 CO 0.06 0.94 -1.39 0.25 -1.61 0.00 0.00 179.24 177.50 1uw0 h LEU 97 N 1.21 0.36 -6.11 2.28 5.85 -1.18 -3.36 115.31 114.36 1uw0 h LEU 97 Ca 0.29 -0.44 -0.77 0.00 0.84 0.00 0.00 57.88 57.80 1uw0 h LEU 97 Cb 0.13 -0.12 -0.30 0.00 0.37 0.00 0.00 40.66 40.74 1uw0 h LEU 97 CO -0.04 1.36 0.72 -1.20 -0.34 0.00 0.00 178.44 178.94 1uw0 n SER 98 N -3.46 6.79 -4.14 1.25 7.64 0.30 -4.90 113.62 117.09 1uw0 n SER 98 Ca -0.12 -3.68 -0.38 0.00 1.01 0.00 0.00 58.87 55.71 1uw0 n SER 98 Cb 1.03 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.75 6.13 -0.13 6.43 0.15 -0.95 -4.71 113.70 118.88 1uw0 s SER 99 Ca 0.40 -3.61 -0.01 0.00 0.70 0.00 0.00 55.95 53.43 1uw0 s SER 99 Cb 0.20 -1.95 0.04 0.00 -1.71 0.00 0.00 66.02 62.59 1uw0 s SER 99 CO -0.12 -0.22 -0.03 -0.75 1.20 0.00 0.00 173.24 173.32 1uw0 s LYS 100 N -1.20 1.08 -0.41 5.44 2.20 -1.26 -4.94 119.74 120.65 1uw0 s LYS 100 Ca 0.27 -0.27 -0.21 0.00 -0.36 0.00 0.00 55.97 55.40 1uw0 s LYS 100 Cb -0.09 -1.64 0.03 0.00 -1.51 0.00 0.00 37.83 34.62 1uw0 s LYS 100 CO -0.11 -0.40 0.54 0.00 -0.36 0.00 0.00 175.35 175.03 1uw0 n ALA 101 N 5.00 -2.79 0.02 3.13 0.00 -1.26 -5.00 120.51 119.61 1uw0 n ALA 101 Ca -0.10 0.82 -0.02 0.00 0.00 0.00 0.00 53.44 54.13 1uw0 n ALA 101 Cb 0.49 -2.95 -0.01 0.00 0.00 0.00 0.00 19.45 16.98 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 -0.11 2.63 0.00 0.00 0.00 -1.26 -5.10 120.51 116.67 1uw0 n ALA 102 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1uw0 n ALA 102 Cb 0.49 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 3.07 0.36 2.51 0.00 0.00 -1.26 -5.13 105.19 104.74 1uw0 n GLY 103 Ca -0.04 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1uw0 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uw0 s THR 104 N 0.00 0.01 0.80 2.61 -4.23 -1.26 -5.14 115.64 108.44 1uw0 s THR 104 Ca 0.00 -1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1uw0 s THR 104 Cb 0.00 -1.04 0.07 0.00 1.34 0.00 0.00 72.50 72.87 1uw0 s THR 104 CO 0.00 -0.84 1.09 -2.16 -0.54 0.00 0.00 174.62 172.16 1uw0 s PRO 105 N 1.63 2.07 -0.21 3.99 0.04 -1.26 -5.06 135.00 136.20 1uw0 s PRO 105 Ca 0.13 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 1uw0 s PRO 105 Cb -0.19 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.53 1uw0 s PRO 105 CO -0.19 -1.69 0.13 0.21 0.04 0.00 0.00 177.00 175.50 1uw0 s LYS 106 N -5.02 0.12 -0.65 4.56 2.20 -1.26 -5.08 119.74 114.63 1uw0 s LYS 106 Ca 0.61 -0.18 0.05 0.00 -0.36 0.00 0.00 55.97 56.09 1uw0 s LYS 106 Cb -0.16 -1.52 0.16 0.00 -1.51 0.00 0.00 37.83 34.81 1uw0 s LYS 106 CO 0.55 -0.78 0.45 0.21 -0.36 0.00 0.00 175.35 175.42 1uw0 s LYS 107 N 2.16 2.20 0.18 4.03 2.47 -1.26 -5.07 119.74 124.44 1uw0 s LYS 107 Ca 0.05 -3.10 0.03 0.00 -1.56 0.00 0.00 55.97 51.39 1uw0 s LYS 107 Cb -0.16 -3.14 -0.01 0.00 -1.46 0.00 0.00 37.83 33.06 1uw0 s LYS 107 CO -0.18 -1.28 0.17 1.63 0.16 0.00 0.00 175.35 175.85 1uw0 n LYS 108 N 2.22 0.25 -4.06 4.03 5.02 -1.26 -5.15 118.16 119.22 1uw0 n LYS 108 Ca 0.19 -1.72 -0.32 0.00 -2.02 0.00 0.00 58.31 54.45 1uw0 n LYS 108 Cb 0.36 1.45 -0.16 0.00 -0.02 0.00 0.00 35.03 36.67 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 -2.62 2.31 -0.11 7.82 0.00 -1.26 -5.10 121.76 122.80 1uw0 s ALA 109 Ca 0.20 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.75 1uw0 s ALA 109 Cb 0.01 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1uw0 s ALA 109 CO 0.14 -0.85 -0.16 0.08 0.00 0.00 0.00 175.76 174.97 1uw0 s VAL 110 N 1.25 1.56 0.01 0.00 1.01 -1.26 -5.13 120.40 117.85 1uw0 s VAL 110 Ca -0.03 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1uw0 s VAL 110 Cb -0.17 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1uw0 s VAL 110 CO -0.08 0.45 -0.04 0.54 0.00 0.00 0.00 175.10 175.97 1uw0 s VAL 111 N 0.89 0.29 -0.54 2.92 0.11 -1.26 -5.11 120.40 117.70 1uw0 s VAL 111 Ca -0.08 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 1uw0 s VAL 111 Cb -0.15 -0.32 0.14 0.00 -1.53 0.00 0.00 36.38 34.51 1uw0 s VAL 111 CO -0.00 -0.17 0.29 -1.10 -3.33 0.00 0.00 175.10 170.79 1uw0 s GLN 112 N -0.75 2.06 -0.06 1.54 -0.21 -1.26 -5.07 119.66 115.91 1uw0 s GLN 112 Ca -0.05 -2.68 0.01 0.00 0.02 0.00 0.00 55.36 52.65 1uw0 s GLN 112 Cb -0.05 -3.35 0.02 0.00 1.00 0.00 0.00 33.01 30.62 1uw0 s GLN 112 CO -0.00 -1.13 -0.06 0.00 -2.12 0.00 0.00 175.29 171.98 1uw0 s ALA 113 N -0.38 0.89 -0.07 6.09 0.00 -1.26 -5.14 121.76 121.89 1uw0 s ALA 113 Ca 0.18 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1uw0 s ALA 113 Cb -0.24 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1uw0 s ALA 113 CO -0.01 -0.08 -0.18 0.21 0.00 0.00 0.00 175.76 175.69 1uw0 s LYS 114 N 1.06 2.24 -0.02 0.00 2.20 -1.26 -5.13 119.74 118.83 1uw0 s LYS 114 Ca -0.08 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 54.94 1uw0 s LYS 114 Cb -0.14 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 1uw0 s LYS 114 CO -0.01 0.15 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.41 1uw0 s LEU 115 N 0.36 2.04 0.10 5.43 1.43 -1.26 -5.14 118.68 121.63 1uw0 s LEU 115 Ca -0.13 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1uw0 s LEU 115 Cb -0.15 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 1uw0 s LEU 115 CO 0.05 0.27 -0.22 -0.89 0.23 0.00 0.00 176.35 175.79 1uw0 s THR 116 N -0.50 1.82 -0.12 5.49 2.01 -1.26 -5.38 115.64 117.70 1uw0 s THR 116 Ca 0.08 -1.55 0.01 0.00 0.31 0.00 0.00 61.69 60.54 1uw0 s THR 116 Cb -0.08 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.80 1uw0 s THR 116 CO -0.01 -0.00 0.53 0.41 -0.69 0.00 0.00 174.62 174.86