#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 0.09 0.02 3.04 0.00 -1.26 -5.02 121.76 118.63 1uw0 s ALA 2 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1uw0 s ALA 2 Cb 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1uw0 s ALA 2 CO 0.00 -0.38 -0.06 -1.21 0.00 0.00 0.00 175.76 174.10 1uw0 s GLU 3 N 1.85 0.46 -0.02 0.00 8.01 -1.26 -5.15 118.70 122.59 1uw0 s GLU 3 Ca 0.00 -0.48 0.01 0.00 0.01 0.00 0.00 54.97 54.51 1uw0 s GLU 3 Cb -0.12 -0.32 0.02 0.00 -4.31 0.00 0.00 34.13 29.39 1uw0 s GLU 3 CO -0.04 0.07 -0.01 -0.65 0.01 0.00 0.00 175.26 174.65 1uw0 s GLN 4 N -0.88 0.24 0.14 1.61 1.11 -1.26 -4.46 119.66 116.16 1uw0 s GLN 4 Ca -0.05 0.02 0.10 0.00 0.01 0.00 0.00 55.36 55.44 1uw0 s GLN 4 Cb -0.06 -0.36 -0.04 0.00 -1.01 0.00 0.00 33.01 31.54 1uw0 s GLN 4 CO 0.00 -0.07 -0.19 1.03 0.01 0.00 0.00 175.29 176.08 1uw0 s ARG 5 N 0.63 1.74 -0.13 2.91 0.52 -0.56 -4.97 118.95 119.08 1uw0 s ARG 5 Ca -0.06 -1.27 -0.10 0.00 -0.52 0.00 0.00 55.73 53.77 1uw0 s ARG 5 Cb -0.09 -2.05 0.04 0.00 0.52 0.00 0.00 34.95 33.37 1uw0 s ARG 5 CO -0.01 0.45 0.33 -0.06 0.02 0.00 0.00 175.30 176.04 1uw0 s PHE 6 N -1.32 -0.41 0.08 -0.53 0.08 -1.26 -1.43 117.98 113.20 1uw0 s PHE 6 Ca 0.19 0.95 -0.15 0.00 0.12 0.00 0.00 56.93 58.04 1uw0 s PHE 6 Cb -0.10 0.14 0.03 0.00 -0.57 0.00 0.00 43.02 42.52 1uw0 s PHE 6 CO 0.10 -0.22 0.36 0.00 -0.10 0.00 0.00 175.22 175.36 1uw0 s VAL 8 N -3.23 5.10 0.01 0.00 -7.23 -1.26 0.11 120.40 113.90 1uw0 s VAL 8 Ca -0.00 -0.03 -0.03 0.00 -1.81 0.00 0.00 61.98 60.11 1uw0 s VAL 8 Cb 0.01 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.70 1uw0 s VAL 8 CO -0.08 0.55 0.05 -0.62 -0.31 0.00 0.00 175.10 174.68 1uw0 s ASP 9 N -1.19 0.11 0.16 4.85 2.15 0.34 -3.53 116.67 119.56 1uw0 s ASP 9 Ca 0.17 -0.29 -0.03 0.00 0.43 0.00 0.00 52.55 52.83 1uw0 s ASP 9 Cb -0.12 0.14 -0.05 0.00 -0.30 0.00 0.00 42.92 42.59 1uw0 s ASP 9 CO 0.07 -0.28 0.38 -0.31 -0.17 0.00 0.00 175.17 174.86 1uw0 s TYR 10 N -1.18 3.48 0.14 -5.34 2.02 -1.26 0.12 117.35 115.33 1uw0 s TYR 10 Ca -0.13 0.48 -0.10 0.00 -0.37 0.00 0.00 57.07 56.95 1uw0 s TYR 10 Cb -0.08 -1.95 -0.06 0.00 -0.40 0.00 0.00 41.96 39.47 1uw0 s TYR 10 CO 0.00 0.41 0.46 0.00 -1.57 0.00 0.00 175.55 174.85 1uw0 s ALA 11 N -1.74 3.67 0.08 3.71 0.00 -1.18 -4.90 121.76 121.41 1uw0 s ALA 11 Ca 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1uw0 s ALA 11 Cb -0.12 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1uw0 s ALA 11 CO 0.26 0.55 0.00 1.63 0.00 0.00 0.00 175.76 178.21 1uw0 n LYS 12 N 0.49 0.00 -3.85 0.00 4.76 -1.26 -4.00 118.16 114.31 1uw0 n LYS 12 Ca -0.04 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.25 1uw0 n LYS 12 Cb 0.52 -0.50 -0.16 0.00 -1.84 0.00 0.00 35.03 33.06 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 -2.00 0.07 0.00 1.97 3.52 -1.26 -4.67 118.95 116.58 1uw0 s ARG 13 Ca 0.00 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1uw0 s ARG 13 Cb 0.00 -0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.13 1uw0 s ARG 13 CO 0.00 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 1uw0 n GLY 14 N 3.88 2.66 3.02 8.12 0.00 -1.26 -5.05 105.19 116.56 1uw0 n GLY 14 Ca -0.24 -2.03 -0.16 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.53 0.56 -0.01 2.61 2.01 -1.26 -4.42 115.64 112.60 1uw0 s THR 15 Ca 0.00 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 1uw0 s THR 15 Cb 0.00 -0.53 -0.00 0.00 0.01 0.00 0.00 72.50 71.98 1uw0 s THR 15 CO 0.00 -0.04 0.04 0.00 -0.69 0.00 0.00 174.62 173.93 1uw0 s ALA 16 N -0.60 -0.07 0.04 7.40 0.00 -1.08 -4.89 121.76 122.56 1uw0 s ALA 16 Ca -0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 1uw0 s ALA 16 Cb -0.05 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 1uw0 s ALA 16 CO 0.00 -0.08 1.31 0.20 0.00 0.00 0.00 175.76 177.19 1uw0 s GLY 17 N -0.54 2.09 0.18 0.00 0.00 -1.26 0.11 107.32 107.91 1uw0 s GLY 17 Ca -0.06 0.89 -0.32 0.00 0.00 0.00 0.00 44.72 45.24 1uw0 s GLY 17 CO -0.00 2.28 1.61 0.00 0.00 0.00 0.00 173.10 176.99 1uw0 s LYS 19 N 1.03 3.01 -1.43 0.00 2.36 -1.19 -2.61 119.74 120.90 1uw0 s LYS 19 Ca 0.71 2.10 -0.07 0.00 -2.55 0.00 0.00 55.97 56.16 1uw0 s LYS 19 Cb -0.45 -2.11 0.04 0.00 -1.05 0.00 0.00 37.83 34.26 1uw0 s LYS 19 CO 0.32 -1.25 0.79 1.63 1.55 0.00 0.00 175.35 178.39 1uw0 n LYS 20 N -1.30 -4.88 -3.60 4.03 5.02 -1.26 -4.90 118.16 111.27 1uw0 n LYS 20 Ca 0.12 0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 56.86 1uw0 n LYS 20 Cb 0.47 -5.22 -0.06 0.00 -0.02 0.00 0.00 35.03 30.19 1uw0 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uw0 n LYS 22 N 1.65 4.41 -2.22 0.00 4.01 -1.26 -4.56 118.16 120.19 1uw0 n LYS 22 Ca -0.14 -4.01 -0.03 0.00 -0.51 0.00 0.00 58.31 53.62 1uw0 n LYS 22 Cb 0.56 -2.42 -0.01 0.00 -0.51 0.00 0.00 35.03 32.66 1uw0 n LYS 22 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1uw0 n GLU 23 N 0.17 0.13 -4.17 1.97 2.13 -1.26 -5.07 120.64 114.54 1uw0 n GLU 23 Ca 0.51 -0.63 -0.11 0.00 0.66 0.00 0.00 57.16 57.59 1uw0 n GLU 23 Cb 0.27 0.58 -0.10 0.00 0.27 0.00 0.00 31.44 32.46 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 -2.21 0.84 -0.25 5.31 1.02 -1.26 -2.73 119.74 120.46 1uw0 s LYS 24 Ca 0.07 -1.31 -0.06 0.00 0.02 0.00 0.00 55.97 54.69 1uw0 s LYS 24 Cb 0.00 -0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.03 1uw0 s LYS 24 CO 0.05 -0.00 0.04 0.42 -0.92 0.00 0.00 175.35 174.94 1uw0 s ILE 25 N -3.43 4.02 0.36 2.17 1.01 0.30 -4.76 121.20 120.87 1uw0 s ILE 25 Ca 0.11 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.53 1uw0 s ILE 25 Cb 0.04 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 1uw0 s ILE 25 CO -0.04 0.33 -0.03 0.68 0.00 0.00 0.00 174.94 175.88 1uw0 s VAL 26 N 1.57 2.29 0.37 2.92 -7.23 -1.26 -2.62 120.40 116.43 1uw0 s VAL 26 Ca 0.06 -2.08 -0.25 0.00 -1.81 0.00 0.00 61.98 57.90 1uw0 s VAL 26 Cb -0.15 -2.77 -0.13 0.00 0.56 0.00 0.00 36.38 33.89 1uw0 s VAL 26 CO 0.02 -0.15 0.77 1.17 -0.31 0.00 0.00 175.10 176.59 1uw0 n LYS 27 N -0.89 0.89 -0.19 4.82 4.81 -1.26 -2.86 118.16 123.48 1uw0 n LYS 27 Ca -0.05 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1uw0 n LYS 27 Cb 0.64 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 34.02 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 1.52 0.78 3.10 3.14 0.00 -1.26 -5.04 105.19 107.43 1uw0 n GLY 28 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.15 1.33 0.20 1.61 0.11 -1.14 -5.03 120.40 115.34 1uw0 s VAL 29 Ca 0.00 -0.64 -0.29 0.00 -2.93 0.00 0.00 61.98 58.12 1uw0 s VAL 29 Cb 0.00 -1.17 -0.08 0.00 -1.53 0.00 0.00 36.38 33.60 1uw0 s VAL 29 CO 0.00 0.39 0.90 0.00 -3.33 0.00 0.00 175.10 173.06 1uw0 s ARG 31 N -1.02 1.52 -0.18 0.00 0.52 0.31 -4.20 118.95 115.91 1uw0 s ARG 31 Ca 0.40 -0.87 -0.13 0.00 -0.52 0.00 0.00 55.73 54.61 1uw0 s ARG 31 Cb -0.25 -1.57 -0.05 0.00 0.52 0.00 0.00 34.95 33.60 1uw0 s ARG 31 CO 0.30 0.41 0.27 0.42 0.02 0.00 0.00 175.30 176.73 1uw0 s ILE 32 N -0.67 5.31 -0.25 1.52 1.01 -1.14 0.13 121.20 127.10 1uw0 s ILE 32 Ca 0.08 0.49 -0.10 0.00 0.00 0.00 0.00 60.65 61.12 1uw0 s ILE 32 Cb -0.09 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1uw0 s ILE 32 CO 0.01 0.37 0.16 -0.83 0.00 0.00 0.00 174.94 174.65 1uw0 s GLY 33 N 0.58 1.93 -0.23 6.18 0.00 0.30 -2.06 107.32 114.03 1uw0 s GLY 33 Ca 0.15 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 1uw0 s GLY 33 CO 0.04 0.49 0.06 1.25 0.00 0.00 0.00 173.10 174.94 1uw0 s LYS 34 N 1.36 3.69 -0.33 2.90 2.20 -1.15 -1.12 119.74 127.29 1uw0 s LYS 34 Ca 0.07 -0.47 -0.12 0.00 -0.36 0.00 0.00 55.97 55.09 1uw0 s LYS 34 Cb -0.15 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1uw0 s LYS 34 CO 0.07 -0.10 0.22 0.08 -0.36 0.00 0.00 175.35 175.26 1uw0 s VAL 35 N 1.35 5.13 -0.24 4.02 1.01 -0.51 -3.42 120.40 127.73 1uw0 s VAL 35 Ca 0.05 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1uw0 s VAL 35 Cb -0.15 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1uw0 s VAL 35 CO 0.03 0.01 -0.12 -0.69 0.00 0.00 0.00 175.10 174.34 1uw0 s VAL 36 N 1.70 2.07 0.08 2.92 1.01 -1.14 -1.50 120.40 125.54 1uw0 s VAL 36 Ca 0.06 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.26 1uw0 s VAL 36 Cb -0.17 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 1uw0 s VAL 36 CO 0.10 0.06 1.19 -2.16 0.00 0.00 0.00 175.10 174.28 1uw0 s PRO 37 N 1.17 4.45 -0.29 2.72 0.04 -1.26 -3.33 135.00 138.50 1uw0 s PRO 37 Ca -0.06 1.78 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 1uw0 s PRO 37 Cb -0.19 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 1uw0 s PRO 37 CO -0.06 -0.21 0.14 -0.80 0.04 0.00 0.00 177.00 176.11 1uw0 s ASN 38 N 0.86 5.54 -1.07 6.66 0.01 -1.16 -4.89 114.94 120.90 1uw0 s ASN 38 Ca 0.57 -0.38 -0.19 0.00 -0.71 0.00 0.00 52.86 52.15 1uw0 s ASN 38 Cb -0.30 -2.01 -0.07 0.00 0.41 0.00 0.00 41.25 39.28 1uw0 s ASN 38 CO 0.30 -0.14 2.04 -0.81 -1.51 0.00 0.00 177.10 176.98 1uw0 n PRO 39 N 4.98 2.09 0.17 -0.60 -0.04 -1.26 -4.06 135.00 136.29 1uw0 n PRO 39 Ca -0.14 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1uw0 n PRO 39 Cb 0.50 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 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 7.19 -3.29 -4.19 0.54 7.35 -1.26 -5.13 117.46 118.66 1uw0 n PHE 40 Ca 0.50 0.87 -0.24 0.00 -0.76 0.00 0.00 57.45 57.82 1uw0 n PHE 40 Cb 0.40 1.87 -0.06 0.00 0.35 0.00 0.00 39.48 42.04 1uw0 n PHE 40 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1uw0 s SER 41 N -3.85 5.01 -0.17 -2.13 0.01 -1.26 -5.05 113.70 106.26 1uw0 s SER 41 Ca 0.00 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 1uw0 s SER 41 Cb 0.00 -1.13 -0.22 0.00 0.21 0.00 0.00 66.02 64.88 1uw0 s SER 41 CO 0.00 0.02 0.14 1.21 0.41 0.00 0.00 173.24 175.02 1uw0 n GLU 42 N -0.70 0.71 -0.37 12.44 2.13 -1.26 -4.30 120.64 129.28 1uw0 n GLU 42 Ca -0.08 0.21 0.03 0.00 0.66 0.00 0.00 57.16 57.97 1uw0 n GLU 42 Cb 0.57 -1.63 0.17 0.00 0.27 0.00 0.00 31.44 30.82 1uw0 n GLU 42 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1uw0 h SER 43 N 0.04 1.04 -3.06 4.31 4.64 -2.00 -3.26 113.55 115.25 1uw0 h SER 43 Ca -0.48 0.01 -0.76 0.00 -0.47 0.00 0.00 61.79 60.09 1uw0 h SER 43 Cb 1.99 -0.21 -0.23 0.00 -0.31 0.00 0.00 62.40 63.64 1uw0 h SER 43 CO 0.02 0.66 0.67 -0.83 -0.87 0.00 0.00 176.83 176.48 1uw0 s GLY 44 N -3.31 2.65 0.00 -0.77 0.00 -1.26 -4.91 107.32 99.72 1uw0 s GLY 44 Ca -0.12 -3.41 0.00 0.00 0.00 0.00 0.00 44.72 41.19 1uw0 s GLY 44 CO 0.81 1.62 0.73 0.61 0.00 0.00 0.00 173.10 176.87 1uw0 n GLY 45 N 3.87 -2.40 3.13 0.20 0.00 -1.23 -4.62 105.19 104.13 1uw0 n GLY 45 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.02 1.28 -0.02 1.61 1.47 -1.26 -2.98 116.67 114.75 1uw0 s ASP 46 Ca 0.00 -0.63 0.03 0.00 1.18 0.00 0.00 52.55 53.12 1uw0 s ASP 46 Cb 0.00 0.00 -0.03 0.00 -0.34 0.00 0.00 42.92 42.55 1uw0 s ASP 46 CO 0.00 -0.17 -0.07 -0.32 0.68 0.00 0.00 175.17 175.29 1uw0 s MET 47 N -1.91 2.61 -0.14 2.11 1.75 -1.21 -4.89 119.30 117.61 1uw0 s MET 47 Ca -0.04 -0.67 0.02 0.00 -1.25 0.00 0.00 55.69 53.75 1uw0 s MET 47 Cb -0.08 -2.52 0.01 0.00 2.84 0.00 0.00 34.83 35.07 1uw0 s MET 47 CO 0.01 0.62 -0.21 0.21 -0.65 0.00 0.00 175.02 175.00 1uw0 s LYS 48 N -1.21 3.04 0.05 4.11 2.20 -1.26 -2.87 119.74 123.81 1uw0 s LYS 48 Ca 0.15 -0.84 0.05 0.00 -0.36 0.00 0.00 55.97 54.97 1uw0 s LYS 48 Cb -0.11 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 1uw0 s LYS 48 CO 0.05 -0.02 -0.09 -1.21 -0.36 0.00 0.00 175.35 173.73 1uw0 s GLU 49 N 0.84 2.34 -0.20 4.03 0.41 -1.22 -4.86 118.70 120.02 1uw0 s GLU 49 Ca -0.06 -0.88 -0.11 0.00 -0.41 0.00 0.00 54.97 53.51 1uw0 s GLU 49 Cb -0.15 -2.39 -0.05 0.00 -1.78 0.00 0.00 34.13 29.76 1uw0 s GLU 49 CO -0.02 0.55 0.19 -1.58 -0.49 0.00 0.00 175.26 173.91 1uw0 s TRP 50 N -1.09 3.39 0.45 1.61 0.23 -1.26 -2.92 118.94 119.35 1uw0 s TRP 50 Ca 0.19 0.37 0.07 0.00 -2.03 0.00 0.00 56.10 54.69 1uw0 s TRP 50 Cb -0.11 -2.25 -0.02 0.00 0.03 0.00 0.00 33.47 31.12 1uw0 s TRP 50 CO 0.10 0.19 0.28 0.71 0.96 0.00 0.00 176.95 179.19 1uw0 s TYR 51 N 0.66 2.32 0.25 -1.98 1.51 -0.87 -3.19 117.35 116.05 1uw0 s TYR 51 Ca 0.10 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 1uw0 s TYR 51 Cb -0.12 -1.98 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1uw0 s TYR 51 CO 0.02 -0.06 0.34 0.72 -1.11 0.00 0.00 175.55 175.45 1uw0 n HIS 52 N -1.45 -3.37 0.04 2.71 8.25 -1.26 -2.89 115.22 117.25 1uw0 n HIS 52 Ca -0.01 -0.53 -0.21 0.00 -0.26 0.00 0.00 57.72 56.71 1uw0 n HIS 52 Cb 0.64 -0.25 -0.14 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.59 0.84 0.00 1.59 1.08 -2.00 -3.29 117.51 115.15 1uw0 h ILE 53 Ca -0.11 -2.50 -0.26 0.00 -0.39 0.00 0.00 64.86 61.61 1uw0 h ILE 53 Cb 0.39 2.65 -0.04 0.00 -3.07 0.00 0.00 36.82 36.75 1uw0 h ILE 53 CO 0.11 0.85 -1.51 0.50 -0.69 0.00 0.00 178.15 177.41 1uw0 h LYS 54 N 0.09 0.00 0.12 2.37 3.64 -1.96 -3.19 116.57 117.63 1uw0 h LYS 54 Ca -0.36 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1uw0 h LYS 54 Cb 2.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.88 1uw0 h LYS 54 CO 0.14 0.55 -0.06 0.00 -2.27 0.00 0.00 179.45 177.82 1uw0 h MET 56 N -0.46 1.05 -0.01 0.00 1.85 -1.74 -2.22 114.93 113.39 1uw0 h MET 56 Ca -0.02 -0.35 -0.14 0.00 -0.61 0.00 0.00 59.70 58.58 1uw0 h MET 56 Cb 0.37 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 1uw0 h MET 56 CO 0.03 1.05 -0.65 0.74 -0.40 0.00 0.00 176.91 177.68 1uw0 h PHE 57 N 0.94 0.06 -0.35 1.39 0.04 -1.54 -3.07 116.94 114.42 1uw0 h PHE 57 Ca 0.16 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.79 1uw0 h PHE 57 Cb 0.61 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 1uw0 h PHE 57 CO 0.04 0.68 -0.24 1.49 -0.60 0.00 0.00 178.31 179.68 1uw0 h GLU 58 N 0.03 0.69 -1.00 1.51 4.81 0.09 -2.89 114.58 117.82 1uw0 h GLU 58 Ca -0.01 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1uw0 h GLU 58 Cb 1.15 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1uw0 h GLU 58 CO 0.09 0.87 0.66 -0.22 -0.73 0.00 0.00 179.01 179.67 1uw0 h LYS 59 N 0.60 1.30 -0.68 1.92 3.11 -1.31 -2.09 116.57 119.43 1uw0 h LYS 59 Ca 0.08 -0.08 0.02 0.00 -2.81 0.00 0.00 60.65 57.87 1uw0 h LYS 59 Cb 0.73 -0.29 -0.04 0.00 -1.00 0.00 0.00 32.23 31.62 1uw0 h LYS 59 CO 0.06 0.86 0.43 -0.07 -2.81 0.00 0.00 179.45 177.92 1uw0 h LEU 60 N 1.34 0.73 -1.54 5.20 4.07 -1.51 -0.23 115.31 123.37 1uw0 h LEU 60 Ca 0.37 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.38 1uw0 h LEU 60 Cb -0.14 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.40 1uw0 h LEU 60 CO -0.08 0.51 0.39 -0.33 -1.08 0.00 0.00 178.44 177.85 1uw0 h GLU 61 N 0.86 0.55 -0.82 1.13 5.08 -1.32 -1.06 114.58 119.00 1uw0 h GLU 61 Ca 0.27 -0.03 -0.44 0.00 -1.00 0.00 0.00 59.36 58.15 1uw0 h GLU 61 Cb -0.02 -0.12 -0.26 0.00 0.50 0.00 0.00 28.75 28.85 1uw0 h GLU 61 CO -0.09 0.37 0.45 -2.13 -1.00 0.00 0.00 179.01 176.61 1uw0 n ARG 62 N -4.47 2.18 -3.20 2.33 0.63 -0.34 -4.99 116.66 108.80 1uw0 n ARG 62 Ca 0.08 -3.10 -0.18 0.00 -0.92 0.00 0.00 57.85 53.73 1uw0 n ARG 62 Cb 0.23 -2.09 -0.00 0.00 0.45 0.00 0.00 32.46 31.05 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 -3.33 4.38 0.79 5.13 0.00 -0.25 -5.00 121.76 123.48 1uw0 s ALA 63 Ca 0.54 -1.75 -0.14 0.00 0.00 0.00 0.00 51.96 50.61 1uw0 s ALA 63 Cb 0.46 -1.41 0.07 0.00 0.00 0.00 0.00 23.12 22.24 1uw0 s ALA 63 CO 0.07 -0.28 1.21 1.03 0.00 0.00 0.00 175.76 177.79 1uw0 s ARG 64 N -4.28 1.73 0.34 0.00 1.81 -1.26 -4.90 118.95 112.38 1uw0 s ARG 64 Ca 0.53 1.76 0.06 0.00 -1.72 0.00 0.00 55.73 56.36 1uw0 s ARG 64 Cb -0.08 -1.79 0.62 0.00 -0.45 0.00 0.00 34.95 33.26 1uw0 s ARG 64 CO 0.31 -2.15 1.86 0.00 -0.68 0.00 0.00 175.30 174.64 1uw0 h ALA 65 N -0.78 1.36 -1.02 2.13 0.00 -1.98 -3.16 119.26 115.81 1uw0 h ALA 65 Ca -0.47 -0.23 -0.77 0.00 0.00 0.00 0.00 54.91 53.44 1uw0 h ALA 65 Cb 1.30 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.74 1uw0 h ALA 65 CO 0.47 0.44 1.36 0.25 0.00 0.00 0.00 179.25 181.77 1uw0 n THR 66 N -4.24 5.45 -4.35 0.00 -2.24 -1.26 -4.97 114.28 102.66 1uw0 n THR 66 Ca 0.00 -5.19 -0.25 0.00 -2.27 0.00 0.00 64.05 56.34 1uw0 n THR 66 Cb 0.29 -1.65 -0.09 0.00 -2.10 0.00 0.00 70.33 66.78 1uw0 n THR 66 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1uw0 s THR 67 N -3.49 3.01 -0.29 4.28 2.01 -1.20 -5.12 115.64 114.84 1uw0 s THR 67 Ca 0.46 -1.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.44 1uw0 s THR 67 Cb 0.23 -2.56 0.10 0.00 0.01 0.00 0.00 72.50 70.28 1uw0 s THR 67 CO -0.16 -0.29 0.11 -0.75 -0.69 0.00 0.00 174.62 172.84 1uw0 s LYS 68 N -3.31 0.45 -0.18 4.92 2.20 -1.26 -5.07 119.74 117.48 1uw0 s LYS 68 Ca 0.28 -0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 55.07 1uw0 s LYS 68 Cb -0.07 -1.59 0.07 0.00 -1.51 0.00 0.00 37.83 34.73 1uw0 s LYS 68 CO 0.16 -0.99 0.10 0.21 -0.36 0.00 0.00 175.35 174.47 1uw0 s LYS 69 N 1.87 0.08 -0.14 4.03 2.20 -1.26 -5.02 119.74 121.49 1uw0 s LYS 69 Ca 0.09 -0.13 -0.09 0.00 -0.36 0.00 0.00 55.97 55.48 1uw0 s LYS 69 Cb -0.17 -1.75 0.03 0.00 -1.51 0.00 0.00 37.83 34.44 1uw0 s LYS 69 CO -0.30 -0.71 0.18 -0.89 -0.36 0.00 0.00 175.35 173.26 1uw0 n ILE 70 N 5.28 -9.62 -4.74 5.43 5.41 -1.26 -5.00 119.36 114.86 1uw0 n ILE 70 Ca -0.07 2.01 -0.33 0.00 1.00 0.00 0.00 62.75 65.36 1uw0 n ILE 70 Cb 0.48 -5.45 -0.13 0.00 -0.71 0.00 0.00 39.64 33.83 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 -0.53 3.04 1.71 0.38 2.56 -1.26 -5.03 118.70 119.56 1uw0 s GLU 71 Ca -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 54.97 54.13 1uw0 s GLU 71 Cb 0.01 -2.58 0.00 0.00 2.00 0.00 0.00 34.13 33.56 1uw0 s GLU 71 CO 0.58 0.43 0.00 -3.47 -0.56 0.00 0.00 175.26 172.23 1uw0 n ASP 72 N 2.91 -3.13 -3.99 -1.70 2.03 -1.26 -4.71 116.55 106.69 1uw0 n ASP 72 Ca -0.18 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.92 1uw0 n ASP 72 Cb 0.53 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.00 -3.75 -2.67 7.94 -1.26 -4.71 117.00 112.54 1uw0 n LEU 73 Ca 0.00 -2.17 -0.29 0.00 -1.11 0.00 0.00 56.01 52.45 1uw0 n LEU 73 Cb 0.00 0.10 -0.02 0.00 0.53 0.00 0.00 43.42 44.03 1uw0 n LEU 73 CO 0.00 -0.42 -0.04 0.35 -1.11 0.00 0.00 177.39 176.17 1uw0 n THR 74 N -1.21 -0.83 -0.01 1.96 -2.24 -1.26 -4.83 114.28 105.87 1uw0 n THR 74 Ca -0.08 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 1uw0 n THR 74 Cb 0.46 -1.50 -0.01 0.00 -2.10 0.00 0.00 70.33 67.18 1uw0 n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uw0 n GLU 75 N -3.92 0.23 -3.11 -0.78 -0.58 -1.26 -4.93 120.64 106.27 1uw0 n GLU 75 Ca 0.04 0.09 -0.18 0.00 -0.42 0.00 0.00 57.16 56.69 1uw0 n GLU 75 Cb 0.51 -0.89 -0.02 0.00 -0.57 0.00 0.00 31.44 30.46 1uw0 n GLU 75 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1uw0 n LEU 76 N -3.90 0.14 -3.82 -4.62 -0.00 -1.26 -5.11 117.00 98.43 1uw0 n LEU 76 Ca -0.06 -4.71 -0.12 0.00 -0.00 0.00 0.00 56.01 51.12 1uw0 n LEU 76 Cb 0.22 0.74 -0.12 0.00 -0.00 0.00 0.00 43.42 44.26 1uw0 n LEU 76 CO 0.09 2.21 -0.17 -1.83 -0.00 0.00 0.00 177.39 177.69 1uw0 s GLU 77 N -1.71 0.24 -0.95 1.47 -1.05 -1.26 -3.54 118.70 111.90 1uw0 s GLU 77 Ca 0.36 0.17 -0.20 0.00 -0.15 0.00 0.00 54.97 55.15 1uw0 s GLU 77 Cb 0.30 0.11 -0.11 0.00 -0.44 0.00 0.00 34.13 34.00 1uw0 s GLU 77 CO -0.09 -0.04 2.00 0.41 0.95 0.00 0.00 175.26 178.50 1uw0 n GLY 78 N 2.79 3.04 0.10 -3.83 0.00 -1.23 -4.54 105.19 101.52 1uw0 n GLY 78 Ca -0.14 -1.35 0.04 0.00 0.00 0.00 0.00 46.02 44.57 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 7.18 0.92 -0.19 1.61 4.27 -1.26 -4.13 117.44 125.84 1uw0 n TRP 79 Ca 0.50 0.29 0.24 0.00 -3.89 0.00 0.00 57.50 54.64 1uw0 n TRP 79 Cb 0.40 -1.02 0.64 0.00 -1.36 0.00 0.00 31.31 29.97 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 0.00 0.16 0.18 -2.67 4.22 -2.00 -1.08 114.58 113.39 1uw0 h GLU 80 Ca -0.11 -0.01 -0.33 0.00 0.08 0.00 0.00 59.36 58.99 1uw0 h GLU 80 Cb 1.36 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1uw0 h GLU 80 CO 0.03 0.10 -1.60 1.49 -2.18 0.00 0.00 179.01 176.85 1uw0 h GLU 81 N 0.16 0.39 -6.22 1.92 4.81 -1.96 -3.47 114.58 110.21 1uw0 h GLU 81 Ca 0.43 -0.67 -0.25 0.00 -0.13 0.00 0.00 59.36 58.74 1uw0 h GLU 81 Cb 1.42 0.25 0.14 0.00 0.63 0.00 0.00 28.75 31.20 1uw0 h GLU 81 CO -0.08 1.30 -0.25 -0.11 -0.73 0.00 0.00 179.01 179.14 1uw0 n LEU 82 N -3.58 -1.17 -4.83 1.64 7.94 -0.41 -5.00 117.00 111.58 1uw0 n LEU 82 Ca -0.20 -0.47 -0.22 0.00 -1.11 0.00 0.00 56.01 54.02 1uw0 n LEU 82 Cb 1.07 -0.82 -0.04 0.00 0.53 0.00 0.00 43.42 44.16 1uw0 n LEU 82 CO 0.54 -3.50 -0.15 -1.61 -1.11 0.00 0.00 177.39 171.56 1uw0 s GLU 83 N -3.77 2.91 0.26 1.96 2.02 -1.26 -4.96 118.70 115.86 1uw0 s GLU 83 Ca 0.42 -1.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.29 1uw0 s GLU 83 Cb -0.08 -2.56 0.35 0.00 0.10 0.00 0.00 34.13 31.94 1uw0 s GLU 83 CO 0.38 0.35 1.91 0.22 0.02 0.00 0.00 175.26 178.14 1uw0 h ASP 84 N 1.44 1.08 -0.46 -0.19 1.82 -1.94 0.48 116.42 118.65 1uw0 h ASP 84 Ca -0.48 -0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.07 1uw0 h ASP 84 Cb 1.24 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.99 1uw0 h ASP 84 CO 0.60 0.74 -0.01 0.78 -1.61 0.00 0.00 179.24 179.74 1uw0 h ASN 85 N 1.26 0.81 -0.52 2.28 4.21 -2.00 -2.03 115.58 119.58 1uw0 h ASN 85 Ca 0.39 -0.32 -0.10 0.00 1.21 0.00 0.00 56.30 57.49 1uw0 h ASN 85 Cb -0.00 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 36.96 1uw0 h ASN 85 CO -0.12 0.93 -0.07 -0.33 -1.29 0.00 0.00 177.43 176.55 1uw0 h GLU 86 N 0.67 1.00 -0.84 0.81 5.08 -1.82 -2.82 114.58 116.65 1uw0 h GLU 86 Ca 0.13 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1uw0 h GLU 86 Cb 0.52 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1uw0 h GLU 86 CO 0.03 1.02 0.47 -0.22 -1.00 0.00 0.00 179.01 179.30 1uw0 h LYS 87 N 0.90 1.16 -0.94 2.33 3.64 -0.73 -2.30 116.57 120.62 1uw0 h LYS 87 Ca 0.15 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1uw0 h LYS 87 Cb 0.61 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 1uw0 h LYS 87 CO 0.04 0.84 0.62 1.49 -2.27 0.00 0.00 179.45 180.17 1uw0 h GLU 88 N 1.17 1.14 -0.71 1.90 4.81 -1.11 -1.61 114.58 120.17 1uw0 h GLU 88 Ca 0.30 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1uw0 h GLU 88 Cb 0.01 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1uw0 h GLU 88 CO -0.05 0.76 0.23 1.96 -0.73 0.00 0.00 179.01 181.17 1uw0 h GLN 89 N 1.18 1.10 -0.49 1.92 4.20 -1.33 -2.13 115.11 119.55 1uw0 h GLN 89 Ca 0.38 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 1uw0 h GLN 89 Cb 0.02 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1uw0 h GLN 89 CO -0.12 0.93 -0.09 0.82 -0.67 0.00 0.00 178.83 179.70 1uw0 h ILE 90 N 1.06 1.27 -0.80 2.54 2.04 -1.20 -2.87 117.51 119.55 1uw0 h ILE 90 Ca 0.23 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1uw0 h ILE 90 Cb 0.29 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1uw0 h ILE 90 CO -0.01 0.42 0.48 0.71 0.00 0.00 0.00 178.15 179.75 1uw0 h THR 91 N 0.78 1.22 -1.00 -0.27 1.35 -1.03 -2.13 112.91 111.83 1uw0 h THR 91 Ca 0.13 -0.49 0.06 0.00 -0.55 0.00 0.00 66.41 65.55 1uw0 h THR 91 Cb 0.64 0.10 -0.07 0.00 -1.73 0.00 0.00 68.15 67.10 1uw0 h THR 91 CO 0.04 0.23 0.65 -0.61 -0.25 0.00 0.00 175.52 175.59 1uw0 h GLN 92 N 1.10 1.16 0.30 4.72 4.15 -1.17 0.15 115.11 125.52 1uw0 h GLN 92 Ca 0.29 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 1uw0 h GLN 92 Cb -0.04 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.39 1uw0 h GLN 92 CO -0.05 0.77 -0.15 0.45 -1.93 0.00 0.00 178.83 177.92 1uw0 h HIS 93 N 1.19 -0.38 -0.74 3.99 3.86 -1.31 0.65 115.15 122.42 1uw0 h HIS 93 Ca 0.42 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.58 1uw0 h HIS 93 Cb 0.13 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1uw0 h HIS 93 CO -0.00 -0.23 0.28 0.82 0.86 0.00 0.00 177.93 179.66 1uw0 h ILE 94 N -0.42 1.25 -0.56 2.45 2.04 -1.35 0.58 117.51 121.51 1uw0 h ILE 94 Ca -0.04 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 64.92 1uw0 h ILE 94 Cb 0.32 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1uw0 h ILE 94 CO 0.07 0.33 0.02 0.00 0.00 0.00 0.00 178.15 178.56 1uw0 h ALA 95 N 1.22 0.75 -0.23 1.87 0.00 -0.39 0.14 119.26 122.62 1uw0 h ALA 95 Ca 0.25 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1uw0 h ALA 95 Cb 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1uw0 h ALA 95 CO -0.02 0.56 -0.39 0.22 0.00 0.00 0.00 179.25 179.62 1uw0 h ASP 96 N 0.85 0.74 -0.27 0.00 1.82 0.74 -3.03 116.42 117.27 1uw0 h ASP 96 Ca 0.16 -0.53 -0.03 0.00 -0.39 0.00 0.00 57.03 56.24 1uw0 h ASP 96 Cb 0.52 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 1uw0 h ASP 96 CO 0.03 1.13 0.09 0.25 -1.61 0.00 0.00 179.24 179.12 1uw0 h LEU 97 N 0.37 0.46 -5.17 2.28 5.85 0.32 -2.93 115.31 116.49 1uw0 h LEU 97 Ca 0.02 -0.06 -0.71 0.00 0.84 0.00 0.00 57.88 57.97 1uw0 h LEU 97 Cb 0.98 -0.12 -0.24 0.00 0.37 0.00 0.00 40.66 41.66 1uw0 h LEU 97 CO 0.09 0.47 1.01 -0.24 -0.34 0.00 0.00 178.44 179.43 1uw0 n SER 98 N -4.35 7.29 -3.80 1.25 2.88 0.46 -4.89 113.62 112.45 1uw0 n SER 98 Ca 0.02 -3.60 -0.26 0.00 -1.33 0.00 0.00 58.87 53.70 1uw0 n SER 98 Cb 0.18 -1.15 -0.17 0.00 -0.75 0.00 0.00 64.21 62.32 1uw0 n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uw0 s SER 99 N -0.66 2.31 0.03 -3.46 0.15 -1.11 -4.93 113.70 106.03 1uw0 s SER 99 Ca 0.52 -0.45 -0.02 0.00 0.70 0.00 0.00 55.95 56.70 1uw0 s SER 99 Cb 0.36 -0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 64.02 1uw0 s SER 99 CO -0.29 -0.21 -0.04 1.17 1.20 0.00 0.00 173.24 175.06 1uw0 n LYS 100 N 5.03 0.06 -5.07 5.44 3.00 -1.26 -5.05 118.16 120.31 1uw0 n LYS 100 Ca -0.09 0.03 -0.32 0.00 -0.00 0.00 0.00 58.31 57.92 1uw0 n LYS 100 Cb 0.49 -0.45 -0.15 0.00 0.00 0.00 0.00 35.03 34.92 1uw0 n LYS 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uw0 s ALA 101 N -2.19 2.40 -0.11 3.14 0.00 -1.26 -5.12 121.76 118.62 1uw0 s ALA 101 Ca -0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1uw0 s ALA 101 Cb 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.31 1uw0 s ALA 101 CO 0.05 0.45 -0.04 0.00 0.00 0.00 0.00 175.76 176.22 1uw0 s ALA 102 N -0.32 1.12 0.73 0.00 0.00 -1.26 -5.13 121.76 116.90 1uw0 s ALA 102 Ca 0.02 -0.46 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 1uw0 s ALA 102 Cb -0.13 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.13 1uw0 s ALA 102 CO 0.02 -0.54 1.21 0.20 0.00 0.00 0.00 175.76 176.65 1uw0 s GLY 103 N 1.79 2.34 -0.05 0.00 0.00 -1.26 -5.02 107.32 105.12 1uw0 s GLY 103 Ca 0.04 0.87 0.05 0.00 0.00 0.00 0.00 44.72 45.68 1uw0 s GLY 103 CO -0.07 1.28 -0.19 -0.51 0.00 0.00 0.00 173.10 173.61 1uw0 s THR 104 N -2.00 2.62 0.56 0.90 -4.23 -1.26 -5.12 115.64 107.12 1uw0 s THR 104 Ca 0.74 -0.88 -0.17 0.00 -1.18 0.00 0.00 61.69 60.20 1uw0 s THR 104 Cb -0.29 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 1uw0 s THR 104 CO 0.45 0.58 1.05 -2.16 -0.54 0.00 0.00 174.62 174.01 1uw0 s PRO 105 N -0.52 3.44 -0.51 3.99 0.04 -1.26 -5.03 135.00 135.15 1uw0 s PRO 105 Ca 0.07 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.40 1uw0 s PRO 105 Cb -0.11 -2.05 0.15 0.00 0.04 0.00 0.00 34.50 32.53 1uw0 s PRO 105 CO 0.01 -0.71 0.32 0.21 0.04 0.00 0.00 177.00 176.87 1uw0 s LYS 106 N -3.84 1.60 -1.10 4.56 2.20 -1.26 -4.90 119.74 117.00 1uw0 s LYS 106 Ca 0.65 -2.44 -0.16 0.00 -0.36 0.00 0.00 55.97 53.66 1uw0 s LYS 106 Cb -0.16 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 1uw0 s LYS 106 CO 0.32 -1.23 0.83 1.63 -0.36 0.00 0.00 175.35 176.55 1uw0 n LYS 107 N 2.97 -1.51 -3.29 4.03 4.01 -1.26 -5.01 118.16 118.11 1uw0 n LYS 107 Ca 0.15 0.59 -0.18 0.00 -0.51 0.00 0.00 58.31 58.36 1uw0 n LYS 107 Cb 0.37 -4.62 -0.02 0.00 -0.51 0.00 0.00 35.03 30.25 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 -3.87 1.19 -4.02 1.97 5.02 -1.26 -5.12 118.16 112.07 1uw0 n LYS 108 Ca -0.09 -2.09 -0.31 0.00 -2.02 0.00 0.00 58.31 53.80 1uw0 n LYS 108 Cb 0.60 0.44 -0.15 0.00 -0.02 0.00 0.00 35.03 35.90 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 -2.49 2.57 -0.14 7.82 0.00 -1.26 -5.09 121.76 123.17 1uw0 s ALA 109 Ca 0.07 -1.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.04 1uw0 s ALA 109 Cb -0.01 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.44 1uw0 s ALA 109 CO 0.04 -1.39 -0.08 0.08 0.00 0.00 0.00 175.76 174.41 1uw0 s VAL 110 N 1.09 1.17 -0.04 0.00 1.01 -1.26 -5.13 120.40 117.24 1uw0 s VAL 110 Ca -0.01 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1uw0 s VAL 110 Cb -0.19 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1uw0 s VAL 110 CO -0.07 0.27 -0.19 -0.69 0.00 0.00 0.00 175.10 174.42 1uw0 s VAL 111 N 1.63 1.57 -0.20 2.92 1.01 -1.26 -5.12 120.40 120.95 1uw0 s VAL 111 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1uw0 s VAL 111 Cb -0.14 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 34.95 1uw0 s VAL 111 CO -0.08 0.45 -0.07 -1.10 0.00 0.00 0.00 175.10 174.29 1uw0 s GLN 112 N -0.09 1.76 -0.33 2.72 -0.21 -1.26 -5.09 119.66 117.16 1uw0 s GLN 112 Ca -0.02 -0.82 0.04 0.00 0.02 0.00 0.00 55.36 54.58 1uw0 s GLN 112 Cb -0.11 -2.38 0.10 0.00 1.00 0.00 0.00 33.01 31.61 1uw0 s GLN 112 CO 0.02 -0.49 0.04 0.00 -2.12 0.00 0.00 175.29 172.75 1uw0 s ALA 113 N 1.45 2.77 0.11 6.09 0.00 -1.26 -5.10 121.76 125.82 1uw0 s ALA 113 Ca -0.02 -2.42 0.08 0.00 0.00 0.00 0.00 51.96 49.60 1uw0 s ALA 113 Cb -0.17 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1uw0 s ALA 113 CO -0.07 -1.65 -0.20 -1.59 0.00 0.00 0.00 175.76 172.25 1uw0 s LYS 114 N 0.97 1.11 0.10 0.00 0.00 -1.26 -5.15 119.74 115.50 1uw0 s LYS 114 Ca 0.10 -1.18 0.08 0.00 0.00 0.00 0.00 55.97 54.96 1uw0 s LYS 114 Cb -0.19 -1.30 -0.03 0.00 0.00 0.00 0.00 37.83 36.30 1uw0 s LYS 114 CO -0.09 0.30 -0.20 -0.51 0.00 0.00 0.00 175.35 174.85 1uw0 s LEU 115 N -2.02 2.30 -0.07 2.77 1.43 -1.26 -5.14 118.68 116.69 1uw0 s LEU 115 Ca 0.07 -0.68 0.05 0.00 -1.03 0.00 0.00 54.13 52.54 1uw0 s LEU 115 Cb -0.09 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 1uw0 s LEU 115 CO 0.04 0.03 -0.23 0.42 0.23 0.00 0.00 176.35 176.85 1uw0 s THR 116 N -1.22 2.26 -0.31 5.49 -4.23 -1.26 -5.37 115.64 111.00 1uw0 s THR 116 Ca 0.05 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1uw0 s THR 116 Cb -0.10 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.91 1uw0 s THR 116 CO 0.04 0.57 0.58 0.35 -0.54 0.00 0.00 174.62 175.61