#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 2.50 0.04 -5.12 0.00 -1.26 -4.95 120.51 111.72 1uw0 n ALA 2 Ca 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1uw0 n ALA 2 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1uw0 n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1uw0 n GLU 3 N 1.49 0.00 -3.85 0.00 4.07 -1.26 -4.51 120.64 116.58 1uw0 n GLU 3 Ca 0.22 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 57.03 1uw0 n GLU 3 Cb 0.52 -0.48 -0.16 0.00 -0.06 0.00 0.00 31.44 31.26 1uw0 n GLU 3 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1uw0 s GLN 4 N -2.00 1.19 -0.00 5.31 -1.52 -1.26 -3.74 119.66 117.64 1uw0 s GLN 4 Ca 0.00 -0.79 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 1uw0 s GLN 4 Cb 0.00 -2.38 0.00 0.00 -0.22 0.00 0.00 33.01 30.41 1uw0 s GLN 4 CO 0.00 -0.64 -0.01 1.03 -0.25 0.00 0.00 175.29 175.42 1uw0 s ARG 5 N 1.58 0.06 0.06 2.91 0.52 -1.22 -5.03 118.95 117.84 1uw0 s ARG 5 Ca -0.03 -0.01 0.08 0.00 -0.52 0.00 0.00 55.73 55.24 1uw0 s ARG 5 Cb -0.18 -0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.17 1uw0 s ARG 5 CO -0.08 0.00 -0.18 -0.06 0.02 0.00 0.00 175.30 175.01 1uw0 s PHE 6 N 0.07 2.56 0.16 -0.53 0.40 -1.26 -1.05 117.98 118.34 1uw0 s PHE 6 Ca -0.01 -0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 1uw0 s PHE 6 Cb -0.01 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1uw0 s PHE 6 CO -0.00 0.30 -0.12 0.00 0.70 0.00 0.00 175.22 176.10 1uw0 s VAL 8 N -3.15 1.56 -0.09 0.00 -7.23 -0.48 0.63 120.40 111.65 1uw0 s VAL 8 Ca 0.18 -1.53 -0.05 0.00 -1.81 0.00 0.00 61.98 58.77 1uw0 s VAL 8 Cb 0.01 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 1uw0 s VAL 8 CO 0.02 -0.34 0.14 -0.62 -0.31 0.00 0.00 175.10 173.99 1uw0 s ASP 9 N 1.33 6.31 -0.15 4.85 -1.08 0.22 -4.60 116.67 123.54 1uw0 s ASP 9 Ca 0.01 0.41 -0.06 0.00 -0.52 0.00 0.00 52.55 52.40 1uw0 s ASP 9 Cb -0.19 -2.01 -0.04 0.00 -1.46 0.00 0.00 42.92 39.22 1uw0 s ASP 9 CO -0.11 0.37 0.06 -0.31 0.52 0.00 0.00 175.17 175.70 1uw0 s TYR 10 N -1.10 3.28 0.24 -5.34 2.02 -1.26 0.11 117.35 115.29 1uw0 s TYR 10 Ca 0.18 0.16 -0.31 0.00 -0.37 0.00 0.00 57.07 56.72 1uw0 s TYR 10 Cb -0.12 -1.99 -0.13 0.00 -0.40 0.00 0.00 41.96 39.32 1uw0 s TYR 10 CO 0.08 0.30 1.54 0.00 -1.57 0.00 0.00 175.55 175.91 1uw0 n ALA 11 N 3.00 1.86 0.03 3.71 0.00 0.13 -4.91 120.51 124.33 1uw0 n ALA 11 Ca -0.18 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 1uw0 n ALA 11 Cb 0.53 -2.38 -0.00 0.00 0.00 0.00 0.00 19.45 17.59 1uw0 n ALA 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uw0 n LYS 12 N 2.57 0.05 -2.60 0.00 4.81 -1.26 -3.47 118.16 118.26 1uw0 n LYS 12 Ca 0.12 0.02 -0.02 0.00 -0.87 0.00 0.00 58.31 57.56 1uw0 n LYS 12 Cb 0.33 -0.58 0.09 0.00 0.02 0.00 0.00 35.03 34.89 1uw0 n LYS 12 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1uw0 n ARG 13 N -3.50 1.37 -4.23 1.64 0.63 -1.26 -4.72 116.66 106.58 1uw0 n ARG 13 Ca -0.02 -1.89 -0.14 0.00 -0.92 0.00 0.00 57.85 54.88 1uw0 n ARG 13 Cb 0.13 -0.17 -0.10 0.00 0.45 0.00 0.00 32.46 32.77 1uw0 n ARG 13 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1uw0 s GLY 14 N -1.93 1.64 -0.09 5.14 0.00 -1.26 -5.07 107.32 105.75 1uw0 s GLY 14 Ca 0.14 -1.77 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 1uw0 s GLY 14 CO -0.10 -1.44 0.20 -1.59 0.00 0.00 0.00 173.10 170.17 1uw0 s THR 15 N -3.99 -0.12 -0.08 0.90 2.01 -1.26 -4.41 115.64 108.69 1uw0 s THR 15 Ca 0.39 0.21 -0.13 0.00 0.31 0.00 0.00 61.69 62.47 1uw0 s THR 15 Cb 0.06 -0.33 0.03 0.00 0.01 0.00 0.00 72.50 72.27 1uw0 s THR 15 CO 0.15 0.09 0.32 0.00 -0.69 0.00 0.00 174.62 174.48 1uw0 s ALA 16 N 1.53 -0.79 0.12 7.40 0.00 -1.22 -4.93 121.76 123.88 1uw0 s ALA 16 Ca -0.06 0.68 -0.33 0.00 0.00 0.00 0.00 51.96 52.25 1uw0 s ALA 16 Cb -0.11 -0.30 -0.13 0.00 0.00 0.00 0.00 23.12 22.57 1uw0 s ALA 16 CO -0.07 -0.19 1.66 0.41 0.00 0.00 0.00 175.76 177.57 1uw0 n GLY 17 N 2.28 1.27 3.67 0.00 0.00 -1.26 -1.37 105.19 109.79 1uw0 n GLY 17 Ca -0.16 0.69 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 1uw0 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uw0 s LYS 19 N 3.42 2.39 -0.98 0.00 -0.14 0.29 -2.96 119.74 121.75 1uw0 s LYS 19 Ca 0.77 1.35 0.00 0.00 -1.36 0.00 0.00 55.97 56.73 1uw0 s LYS 19 Cb -0.39 -1.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 1uw0 s LYS 19 CO 0.33 -1.57 0.00 1.17 -0.76 0.00 0.00 175.35 174.53 1uw0 n LYS 20 N -3.02 -1.28 -3.62 1.68 3.00 -1.26 -4.01 118.16 109.66 1uw0 n LYS 20 Ca 0.10 0.77 -0.05 0.00 -0.00 0.00 0.00 58.31 59.14 1uw0 n LYS 20 Cb 0.52 -4.93 -0.04 0.00 0.00 0.00 0.00 35.03 30.58 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 -1.06 3.64 0.09 0.00 -0.14 -1.26 -4.37 119.74 116.63 1uw0 s LYS 22 Ca 0.05 -1.66 -0.07 0.00 -1.36 0.00 0.00 55.97 52.94 1uw0 s LYS 22 Cb -0.01 -5.06 0.02 0.00 -1.68 0.00 0.00 37.83 31.11 1uw0 s LYS 22 CO -0.05 -1.90 0.32 -1.91 -0.76 0.00 0.00 175.35 171.06 1uw0 n GLU 23 N 7.14 0.28 -4.19 1.68 2.13 -1.26 -5.01 120.64 121.40 1uw0 n GLU 23 Ca 0.28 -0.59 -0.19 0.00 0.66 0.00 0.00 57.16 57.32 1uw0 n GLU 23 Cb 0.49 0.77 -0.12 0.00 0.27 0.00 0.00 31.44 32.85 1uw0 n GLU 23 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1uw0 s LYS 24 N -2.02 0.84 -0.15 5.31 -2.85 -1.26 -0.62 119.74 118.99 1uw0 s LYS 24 Ca 0.07 -0.96 -0.07 0.00 -1.00 0.00 0.00 55.97 54.02 1uw0 s LYS 24 Cb -0.01 -0.87 -0.04 0.00 -2.06 0.00 0.00 37.83 34.85 1uw0 s LYS 24 CO 0.03 0.19 0.08 0.42 0.10 0.00 0.00 175.35 176.17 1uw0 s ILE 25 N -1.24 5.00 0.22 3.79 1.01 -0.47 -4.76 121.20 124.75 1uw0 s ILE 25 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1uw0 s ILE 25 Cb -0.10 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1uw0 s ILE 25 CO 0.02 0.53 0.10 0.68 0.00 0.00 0.00 174.94 176.26 1uw0 s VAL 26 N -0.22 0.36 -0.03 2.92 -7.23 -1.26 -3.40 120.40 111.54 1uw0 s VAL 26 Ca 0.09 -1.99 -0.38 0.00 -1.81 0.00 0.00 61.98 57.88 1uw0 s VAL 26 Cb -0.12 -2.51 -0.17 0.00 0.56 0.00 0.00 36.38 34.14 1uw0 s VAL 26 CO 0.01 -0.07 1.42 1.17 -0.31 0.00 0.00 175.10 177.32 1uw0 n LYS 27 N -0.36 1.02 0.00 4.82 0.00 -1.26 -1.89 118.16 120.49 1uw0 n LYS 27 Ca -0.00 0.37 0.00 0.00 0.00 0.00 0.00 58.31 58.68 1uw0 n LYS 27 Cb 0.66 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.68 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 2.88 0.95 3.51 3.14 0.00 -1.23 -5.01 105.19 109.44 1uw0 n GLY 28 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1uw0 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uw0 s VAL 29 N -2.00 3.56 -0.21 1.61 1.01 -0.79 -4.93 120.40 118.64 1uw0 s VAL 29 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1uw0 s VAL 29 Cb 0.00 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1uw0 s VAL 29 CO 0.00 0.56 0.54 0.00 0.00 0.00 0.00 175.10 176.19 1uw0 s ARG 31 N 1.84 3.48 -0.33 0.00 3.00 0.30 -4.20 118.95 123.05 1uw0 s ARG 31 Ca 0.24 -0.43 -0.09 0.00 0.00 0.00 0.00 55.73 55.45 1uw0 s ARG 31 Cb -0.15 -2.94 0.01 0.00 0.00 0.00 0.00 34.95 31.87 1uw0 s ARG 31 CO 0.09 0.43 0.14 0.42 0.00 0.00 0.00 175.30 176.38 1uw0 s ILE 32 N -0.12 4.26 -0.16 1.52 1.01 -1.07 0.69 121.20 127.33 1uw0 s ILE 32 Ca 0.04 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 1uw0 s ILE 32 Cb -0.13 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1uw0 s ILE 32 CO 0.02 -0.04 0.14 -0.83 0.00 0.00 0.00 174.94 174.22 1uw0 s GLY 33 N 1.53 2.11 -0.19 6.18 0.00 0.20 -3.70 107.32 113.45 1uw0 s GLY 33 Ca 0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 44.72 44.05 1uw0 s GLY 33 CO 0.05 -0.15 -0.06 1.25 0.00 0.00 0.00 173.10 174.18 1uw0 s LYS 34 N -0.41 3.43 -0.35 2.90 2.20 -1.25 0.10 119.74 126.35 1uw0 s LYS 34 Ca 0.12 -0.62 -0.07 0.00 -0.36 0.00 0.00 55.97 55.04 1uw0 s LYS 34 Cb -0.12 -2.91 0.05 0.00 -1.51 0.00 0.00 37.83 33.35 1uw0 s LYS 34 CO 0.01 -0.03 0.13 0.08 -0.36 0.00 0.00 175.35 175.18 1uw0 s VAL 35 N 1.03 3.83 0.07 4.02 1.01 -0.21 -4.01 120.40 126.14 1uw0 s VAL 35 Ca 0.00 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 60.87 1uw0 s VAL 35 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1uw0 s VAL 35 CO -0.00 -0.24 -0.22 0.68 0.00 0.00 0.00 175.10 175.32 1uw0 s VAL 36 N 1.40 1.81 0.41 2.92 -7.23 -1.17 -3.38 120.40 115.16 1uw0 s VAL 36 Ca -0.01 -1.39 -0.24 0.00 -1.81 0.00 0.00 61.98 58.53 1uw0 s VAL 36 Cb -0.20 -1.60 -0.09 0.00 0.56 0.00 0.00 36.38 35.05 1uw0 s VAL 36 CO 0.03 0.13 1.06 -2.16 -0.31 0.00 0.00 175.10 173.85 1uw0 s PRO 37 N -1.51 4.12 -0.31 4.82 0.04 -1.25 -2.36 135.00 138.56 1uw0 s PRO 37 Ca 0.08 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.54 1uw0 s PRO 37 Cb -0.09 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1uw0 s PRO 37 CO 0.03 -0.18 0.17 1.21 0.04 0.00 0.00 177.00 178.27 1uw0 s ASN 38 N -1.58 5.69 1.02 6.66 2.47 -0.10 -4.97 114.94 124.13 1uw0 s ASN 38 Ca 0.59 -0.42 -0.02 0.00 0.42 0.00 0.00 52.86 53.43 1uw0 s ASN 38 Cb -0.22 -2.04 0.03 0.00 -1.45 0.00 0.00 41.25 37.57 1uw0 s ASN 38 CO 0.28 -0.17 0.16 -0.81 -3.72 0.00 0.00 177.10 172.83 1uw0 n PRO 39 N 5.02 -0.70 0.00 0.43 -0.04 -1.26 -4.34 135.00 134.10 1uw0 n PRO 39 Ca -0.14 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1uw0 n PRO 39 Cb 0.50 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 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 -2.51 0.00 -2.44 0.54 7.35 -1.26 -4.81 117.46 114.33 1uw0 n PHE 40 Ca 0.02 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.38 1uw0 n PHE 40 Cb 0.08 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.88 1uw0 n PHE 40 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1uw0 s SER 41 N 0.00 6.35 -0.25 -2.13 0.15 -1.26 -5.00 113.70 111.56 1uw0 s SER 41 Ca 0.00 1.79 -0.09 0.00 0.70 0.00 0.00 55.95 58.36 1uw0 s SER 41 Cb 0.00 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.65 1uw0 s SER 41 CO 0.00 -0.77 -0.30 1.21 1.20 0.00 0.00 173.24 174.58 1uw0 n GLU 42 N -1.29 0.56 -0.34 5.44 0.00 -1.26 -4.51 120.64 119.23 1uw0 n GLU 42 Ca 0.08 0.21 0.03 0.00 0.00 0.00 0.00 57.16 57.49 1uw0 n GLU 42 Cb 0.53 -1.43 0.21 0.00 0.00 0.00 0.00 31.44 30.75 1uw0 n GLU 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1uw0 h SER 43 N -0.65 0.97 -2.75 4.31 0.87 -1.96 -3.39 113.55 110.95 1uw0 h SER 43 Ca -0.62 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 59.39 1uw0 h SER 43 Cb 1.64 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 1uw0 h SER 43 CO -0.30 0.62 1.05 -0.83 -0.53 0.00 0.00 176.83 176.84 1uw0 s GLY 44 N -3.36 1.45 0.00 5.77 0.00 -1.26 -4.93 107.32 104.98 1uw0 s GLY 44 Ca -0.12 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1uw0 s GLY 44 CO 0.81 2.89 0.00 0.61 0.00 0.00 0.00 173.10 177.40 1uw0 n GLY 45 N 4.19 0.09 3.15 0.20 0.00 -1.26 -4.39 105.19 107.16 1uw0 n GLY 45 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.00 1.74 0.06 1.61 -4.77 -1.26 -0.92 116.67 112.14 1uw0 s ASP 46 Ca 0.00 -0.43 0.09 0.00 -3.30 0.00 0.00 52.55 48.90 1uw0 s ASP 46 Cb 0.00 -0.13 -0.03 0.00 -1.09 0.00 0.00 42.92 41.67 1uw0 s ASP 46 CO 0.00 0.07 -0.22 -0.32 0.70 0.00 0.00 175.17 175.40 1uw0 s MET 47 N -1.02 1.85 0.03 2.11 1.75 -0.99 -4.90 119.30 118.12 1uw0 s MET 47 Ca 0.03 -1.10 0.04 0.00 -1.25 0.00 0.00 55.69 53.41 1uw0 s MET 47 Cb -0.08 -2.07 -0.02 0.00 2.84 0.00 0.00 34.83 35.50 1uw0 s MET 47 CO 0.01 0.51 -0.12 -1.59 -0.65 0.00 0.00 175.02 173.18 1uw0 s LYS 48 N -1.56 0.81 0.02 4.11 -2.85 -1.26 -3.06 119.74 115.96 1uw0 s LYS 48 Ca 0.14 -0.63 0.02 0.00 -1.00 0.00 0.00 55.97 54.50 1uw0 s LYS 48 Cb -0.10 -0.77 -0.02 0.00 -2.06 0.00 0.00 37.83 34.88 1uw0 s LYS 48 CO 0.05 0.19 -0.07 -1.21 0.10 0.00 0.00 175.35 174.41 1uw0 s GLU 49 N -0.94 0.51 -0.33 1.78 8.01 -1.26 -4.94 118.70 121.53 1uw0 s GLU 49 Ca 0.00 -0.51 -0.14 0.00 0.01 0.00 0.00 54.97 54.33 1uw0 s GLU 49 Cb -0.07 -0.39 -0.02 0.00 -4.31 0.00 0.00 34.13 29.34 1uw0 s GLU 49 CO 0.01 0.09 0.33 -1.58 0.01 0.00 0.00 175.26 174.11 1uw0 s TRP 50 N -0.80 3.22 0.36 1.61 0.23 -1.26 -3.94 118.94 118.35 1uw0 s TRP 50 Ca -0.04 -0.03 0.04 0.00 -2.03 0.00 0.00 56.10 54.04 1uw0 s TRP 50 Cb -0.06 -2.61 -0.06 0.00 0.03 0.00 0.00 33.47 30.77 1uw0 s TRP 50 CO 0.00 -0.39 0.06 1.52 0.96 0.00 0.00 176.95 179.10 1uw0 s TYR 51 N 1.94 2.02 0.52 -1.98 -0.85 -1.24 0.10 117.35 117.86 1uw0 s TYR 51 Ca 0.10 -0.96 -0.04 0.00 -0.52 0.00 0.00 57.07 55.66 1uw0 s TYR 51 Cb -0.17 -1.36 -0.01 0.00 0.38 0.00 0.00 41.96 40.81 1uw0 s TYR 51 CO 0.11 0.04 0.80 -1.01 -1.52 0.00 0.00 175.55 173.98 1uw0 s HIS 52 N -3.19 3.35 0.03 -3.49 3.76 -1.26 -2.59 115.29 111.91 1uw0 s HIS 52 Ca 0.33 0.59 -0.22 0.00 -0.15 0.00 0.00 55.06 55.61 1uw0 s HIS 52 Cb 0.08 -2.48 -0.15 0.00 1.11 0.00 0.00 32.58 31.14 1uw0 s HIS 52 CO 0.15 -0.52 1.41 0.82 -0.85 0.00 0.00 174.74 175.76 1uw0 h ILE 53 N 0.11 1.30 -0.87 0.60 2.04 -1.99 0.11 117.51 118.81 1uw0 h ILE 53 Ca -0.46 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 1uw0 h ILE 53 Cb 1.24 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 39.02 1uw0 h ILE 53 CO 0.60 0.28 0.51 0.50 0.00 0.00 0.00 178.15 180.03 1uw0 h LYS 54 N -0.14 1.19 -0.40 2.37 3.64 -1.95 0.89 116.57 122.17 1uw0 h LYS 54 Ca 0.02 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1uw0 h LYS 54 Cb 0.45 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1uw0 h LYS 54 CO 0.01 0.85 0.12 0.00 -2.27 0.00 0.00 179.45 178.16 1uw0 h MET 56 N 0.51 0.57 0.00 0.00 1.85 -0.29 0.57 114.93 118.13 1uw0 h MET 56 Ca 0.13 -0.41 -0.12 0.00 -0.61 0.00 0.00 59.70 58.68 1uw0 h MET 56 Cb 0.27 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.35 1uw0 h MET 56 CO -0.00 1.04 -0.58 0.74 -0.40 0.00 0.00 176.91 177.70 1uw0 h PHE 57 N 0.21 0.00 0.16 1.39 0.04 0.86 0.17 116.94 119.77 1uw0 h PHE 57 Ca -0.01 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.45 1uw0 h PHE 57 Cb 1.08 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.26 1uw0 h PHE 57 CO 0.10 0.58 -1.31 1.49 -0.60 0.00 0.00 178.31 178.57 1uw0 h GLU 58 N 0.00 0.58 -0.10 1.51 4.57 0.74 -0.71 114.58 121.17 1uw0 h GLU 58 Ca -0.01 -0.83 -0.19 0.00 -1.18 0.00 0.00 59.36 57.16 1uw0 h GLU 58 Cb 1.04 0.29 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1uw0 h GLU 58 CO 0.08 1.38 -0.72 -0.22 -1.18 0.00 0.00 179.01 178.35 1uw0 h LYS 59 N 0.23 0.47 -0.16 1.92 3.64 -0.83 -1.64 116.57 120.19 1uw0 h LYS 59 Ca -0.20 -0.37 -0.22 0.00 -1.27 0.00 0.00 60.65 58.58 1uw0 h LYS 59 Cb 1.99 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.89 1uw0 h LYS 59 CO 0.25 1.00 -0.77 1.25 -2.27 0.00 0.00 179.45 178.91 1uw0 h LEU 60 N 0.33 0.96 -1.14 5.20 5.85 -0.71 0.83 115.31 126.62 1uw0 h LEU 60 Ca -0.03 -0.62 -0.08 0.00 0.84 0.00 0.00 57.88 57.99 1uw0 h LEU 60 Cb 1.29 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1uw0 h LEU 60 CO 0.13 1.43 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.96 1uw0 h GLU 61 N 0.55 0.00 0.01 1.25 5.08 -1.12 -3.29 114.58 117.06 1uw0 h GLU 61 Ca -0.05 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.93 1uw0 h GLU 61 Cb 1.40 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.59 1uw0 h GLU 61 CO 0.16 0.37 -2.35 -2.13 -1.00 0.00 0.00 179.01 174.06 1uw0 n ARG 62 N -3.73 0.67 -4.09 2.33 0.00 -0.62 -5.00 116.66 106.21 1uw0 n ARG 62 Ca -0.01 0.12 -0.13 0.00 -0.00 0.00 0.00 57.85 57.83 1uw0 n ARG 62 Cb 0.45 -1.56 -0.11 0.00 0.00 0.00 0.00 32.46 31.24 1uw0 n ARG 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uw0 s ALA 63 N -2.52 0.72 -0.31 5.13 0.00 0.29 -5.07 121.76 120.01 1uw0 s ALA 63 Ca -0.24 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 50.87 1uw0 s ALA 63 Cb 0.08 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.32 1uw0 s ALA 63 CO 0.70 -0.02 -0.01 0.50 0.00 0.00 0.00 175.76 176.93 1uw0 s ARG 64 N -1.92 1.76 -0.04 0.00 3.00 -1.26 -3.73 118.95 116.75 1uw0 s ARG 64 Ca -0.06 -1.63 -0.01 0.00 -1.00 0.00 0.00 55.73 53.03 1uw0 s ARG 64 Cb -0.08 -3.04 -0.26 0.00 0.00 0.00 0.00 34.95 31.57 1uw0 s ARG 64 CO 0.00 -0.79 0.67 0.00 0.00 0.00 0.00 175.30 175.18 1uw0 h ALA 65 N 7.69 0.41 -2.93 6.12 0.00 -1.95 -3.49 119.26 125.12 1uw0 h ALA 65 Ca -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1uw0 h ALA 65 Cb 1.03 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1uw0 h ALA 65 CO 0.49 1.27 0.00 -2.37 0.00 0.00 0.00 179.25 178.65 1uw0 n THR 66 N -3.39 0.00 -3.47 0.00 5.66 -1.26 -5.12 114.28 106.70 1uw0 n THR 66 Ca -0.21 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.36 1uw0 n THR 66 Cb 1.05 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.74 1uw0 n THR 66 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1uw0 s THR 67 N -1.70 4.84 0.02 1.09 2.01 -1.26 -5.07 115.64 115.58 1uw0 s THR 67 Ca 0.00 -1.18 0.08 0.00 0.31 0.00 0.00 61.69 60.90 1uw0 s THR 67 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1uw0 s THR 67 CO 0.00 -0.54 -0.23 -0.54 -0.69 0.00 0.00 174.62 172.62 1uw0 s LYS 68 N 1.56 2.01 -0.32 4.92 1.02 -1.26 -5.11 119.74 122.56 1uw0 s LYS 68 Ca 0.04 -1.00 -0.00 0.00 0.02 0.00 0.00 55.97 55.03 1uw0 s LYS 68 Cb -0.24 -2.09 0.10 0.00 -0.52 0.00 0.00 37.83 35.08 1uw0 s LYS 68 CO 0.05 0.54 0.10 0.21 -0.92 0.00 0.00 175.35 175.33 1uw0 s LYS 69 N -1.14 0.82 -0.41 1.68 2.20 -1.26 -5.08 119.74 116.55 1uw0 s LYS 69 Ca 0.12 -1.21 -0.01 0.00 -0.36 0.00 0.00 55.97 54.51 1uw0 s LYS 69 Cb -0.10 -2.13 0.11 0.00 -1.51 0.00 0.00 37.83 34.20 1uw0 s LYS 69 CO 0.02 -0.99 0.19 0.42 -0.36 0.00 0.00 175.35 174.63 1uw0 s ILE 70 N 1.47 3.11 -0.13 5.43 1.01 -1.26 -5.07 121.20 125.75 1uw0 s ILE 70 Ca 0.10 -2.22 -0.03 0.00 0.00 0.00 0.00 60.65 58.51 1uw0 s ILE 70 Cb -0.18 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1uw0 s ILE 70 CO -0.22 -0.69 -0.03 -1.61 0.00 0.00 0.00 174.94 172.38 1uw0 s GLU 71 N 0.96 3.44 1.38 2.79 2.02 -1.26 -5.02 118.70 123.02 1uw0 s GLU 71 Ca 0.10 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1uw0 s GLU 71 Cb -0.22 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1uw0 s GLU 71 CO -0.05 0.37 0.00 -3.47 0.02 0.00 0.00 175.26 172.14 1uw0 n ASP 72 N 3.13 -2.59 -3.87 -0.19 -0.08 -1.26 -4.39 116.55 107.30 1uw0 n ASP 72 Ca -0.18 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.82 1uw0 n ASP 72 Cb 0.53 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.86 1uw0 n ASP 72 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1uw0 s LEU 73 N 0.00 4.28 0.22 -2.67 2.96 -1.26 -4.84 118.68 117.38 1uw0 s LEU 73 Ca 0.00 -3.44 0.00 0.00 -0.22 0.00 0.00 54.13 50.47 1uw0 s LEU 73 Cb 0.00 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.17 1uw0 s LEU 73 CO 0.00 -0.15 0.00 0.35 -1.32 0.00 0.00 176.35 175.23 1uw0 n THR 74 N 2.52 0.00 -0.34 3.68 -2.24 -1.26 -4.92 114.28 111.72 1uw0 n THR 74 Ca 0.15 0.00 0.32 0.00 -2.27 0.00 0.00 64.05 62.24 1uw0 n THR 74 Cb 0.35 -0.11 0.66 0.00 -2.10 0.00 0.00 70.33 69.13 1uw0 n THR 74 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1uw0 h GLU 75 N 0.00 0.14 -7.16 -0.78 4.22 -1.88 -3.41 114.58 105.71 1uw0 h GLU 75 Ca 0.00 -0.01 -0.49 0.00 0.08 0.00 0.00 59.36 58.94 1uw0 h GLU 75 Cb 0.00 -0.03 0.07 0.00 0.50 0.00 0.00 28.75 29.29 1uw0 h GLU 75 CO 0.00 0.09 0.39 -0.51 -2.18 0.00 0.00 179.01 176.80 1uw0 s LEU 76 N -8.88 3.58 -0.14 1.64 1.02 -1.26 -4.86 118.68 109.77 1uw0 s LEU 76 Ca -0.07 1.93 -0.08 0.00 0.02 0.00 0.00 54.13 55.93 1uw0 s LEU 76 Cb 0.24 -4.55 -0.04 0.00 0.02 0.00 0.00 46.19 41.86 1uw0 s LEU 76 CO 0.81 -1.20 0.15 -0.70 0.02 0.00 0.00 176.35 175.42 1uw0 s GLU 77 N -3.80 3.72 0.00 1.70 2.12 -1.20 -4.50 118.70 116.74 1uw0 s GLU 77 Ca 0.66 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.86 1uw0 s GLU 77 Cb -0.18 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1uw0 s GLU 77 CO 0.33 0.61 0.00 0.41 -0.54 0.00 0.00 175.26 176.07 1uw0 n GLY 78 N 2.52 2.42 0.16 -1.50 0.00 -1.26 -1.38 105.19 106.13 1uw0 n GLY 78 Ca -0.18 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 -0.98 1.61 5.08 -1.85 -3.19 115.95 116.63 1uw0 h TRP 79 Ca 0.00 0.00 0.21 0.00 1.08 0.00 0.00 58.89 60.18 1uw0 h TRP 79 Cb 0.00 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.07 1uw0 h TRP 79 CO 0.00 0.00 0.62 1.49 -1.28 0.00 0.00 178.44 179.27 1uw0 h GLU 80 N 0.00 0.57 0.00 0.12 4.57 -1.93 -3.38 114.58 114.54 1uw0 h GLU 80 Ca 0.00 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 57.99 1uw0 h GLU 80 Cb 0.28 -0.13 -0.12 0.00 -0.16 0.00 0.00 28.75 28.62 1uw0 h GLU 80 CO 0.00 0.38 -0.10 -1.91 -1.18 0.00 0.00 179.01 176.19 1uw0 n GLU 81 N -4.65 0.60 0.00 1.92 2.13 -1.22 -5.06 120.64 114.35 1uw0 n GLU 81 Ca 0.22 -1.24 0.00 0.00 0.66 0.00 0.00 57.16 56.81 1uw0 n GLU 81 Cb 0.66 -0.28 0.00 0.00 0.27 0.00 0.00 31.44 32.09 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 -0.07 0.00 -4.17 4.31 4.77 -1.21 -5.05 117.00 115.58 1uw0 n LEU 82 Ca -0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 1uw0 n LEU 82 Cb 0.74 -0.21 -0.17 0.00 -2.33 0.00 0.00 43.42 41.45 1uw0 n LEU 82 CO -0.07 -0.48 -0.54 -1.61 -1.33 0.00 0.00 177.39 173.36 1uw0 s GLU 83 N -0.96 2.57 -0.19 3.23 0.41 -1.26 -5.04 118.70 117.45 1uw0 s GLU 83 Ca 0.00 -0.75 -0.22 0.00 -0.41 0.00 0.00 54.97 53.59 1uw0 s GLU 83 Cb 0.00 -2.01 -0.19 0.00 -1.78 0.00 0.00 34.13 30.15 1uw0 s GLU 83 CO 0.00 0.18 0.28 -0.44 -0.49 0.00 0.00 175.26 174.79 1uw0 h ASP 84 N 6.64 0.00 -0.49 -0.19 3.32 -1.96 -2.94 116.42 120.80 1uw0 h ASP 84 Ca -0.25 -0.55 -0.09 0.00 0.02 0.00 0.00 57.03 56.17 1uw0 h ASP 84 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1uw0 h ASP 84 CO 0.47 1.36 -0.03 -1.13 -1.72 0.00 0.00 179.24 178.19 1uw0 h ASN 85 N -1.00 0.88 -0.63 6.45 -0.73 -2.01 -2.70 115.58 115.84 1uw0 h ASN 85 Ca -0.27 -0.32 -0.04 0.00 1.87 0.00 0.00 56.30 57.54 1uw0 h ASN 85 Cb 1.20 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 39.52 1uw0 h ASN 85 CO -0.16 0.99 0.26 -0.08 -0.37 0.00 0.00 177.43 178.06 1uw0 h GLU 86 N 0.74 0.96 -0.92 6.67 4.57 -1.99 -2.30 114.58 122.31 1uw0 h GLU 86 Ca 0.14 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1uw0 h GLU 86 Cb 0.56 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 1uw0 h GLU 86 CO 0.03 0.79 0.60 -0.22 -1.18 0.00 0.00 179.01 179.03 1uw0 h LYS 87 N 0.95 1.07 -0.92 1.92 3.64 -1.29 -1.67 116.57 120.27 1uw0 h LYS 87 Ca 0.22 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1uw0 h LYS 87 Cb 0.19 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1uw0 h LYS 87 CO -0.02 0.71 0.55 1.49 -2.27 0.00 0.00 179.45 179.91 1uw0 h GLU 88 N 1.11 1.25 -0.68 1.90 4.22 -1.20 -2.31 114.58 118.87 1uw0 h GLU 88 Ca 0.38 -0.12 -0.05 0.00 0.08 0.00 0.00 59.36 59.65 1uw0 h GLU 88 Cb 0.10 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1uw0 h GLU 88 CO -0.13 0.88 0.22 0.37 -2.18 0.00 0.00 179.01 178.17 1uw0 h GLN 89 N 1.27 1.04 -0.83 1.92 4.15 -1.22 -2.68 115.11 118.75 1uw0 h GLN 89 Ca 0.33 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 1uw0 h GLN 89 Cb -0.05 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.44 1uw0 h GLN 89 CO -0.06 0.89 0.42 0.82 -1.93 0.00 0.00 178.83 178.96 1uw0 h ILE 90 N 1.01 1.25 -0.83 2.39 2.04 -1.04 -2.49 117.51 119.84 1uw0 h ILE 90 Ca 0.22 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1uw0 h ILE 90 Cb 0.27 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 1uw0 h ILE 90 CO -0.01 0.30 0.46 0.71 0.00 0.00 0.00 178.15 179.61 1uw0 h THR 91 N 1.18 1.24 -1.00 -0.27 1.35 -1.14 -2.36 112.91 111.92 1uw0 h THR 91 Ca 0.29 -0.60 0.03 0.00 -0.55 0.00 0.00 66.41 65.58 1uw0 h THR 91 Cb 0.10 0.11 -0.06 0.00 -1.73 0.00 0.00 68.15 66.57 1uw0 h THR 91 CO -0.04 0.27 0.65 -0.61 -0.25 0.00 0.00 175.52 175.55 1uw0 h GLN 92 N 1.17 1.24 -0.43 4.72 4.15 -1.23 -2.17 115.11 122.56 1uw0 h GLN 92 Ca 0.29 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.66 1uw0 h GLN 92 Cb 0.03 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 27.41 1uw0 h GLN 92 CO -0.05 0.82 0.24 0.45 -1.93 0.00 0.00 178.83 178.37 1uw0 h HIS 93 N 1.28 0.45 -0.75 3.99 3.86 -1.27 -1.09 115.15 121.63 1uw0 h HIS 93 Ca 0.39 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.60 1uw0 h HIS 93 Cb -0.02 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1uw0 h HIS 93 CO -0.00 0.26 0.39 0.82 0.86 0.00 0.00 177.93 180.25 1uw0 h ILE 94 N 0.49 1.23 -0.68 2.45 5.03 -1.36 -1.00 117.51 123.68 1uw0 h ILE 94 Ca 0.18 -0.62 -0.01 0.00 -0.12 0.00 0.00 64.86 64.28 1uw0 h ILE 94 Cb 0.03 0.27 -0.03 0.00 -3.03 0.00 0.00 36.82 34.06 1uw0 h ILE 94 CO -0.09 0.27 0.36 0.00 -0.68 0.00 0.00 178.15 178.01 1uw0 h ALA 95 N 1.20 1.37 -0.23 1.87 0.00 -0.79 0.26 119.26 122.93 1uw0 h ALA 95 Ca 0.26 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1uw0 h ALA 95 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1uw0 h ALA 95 CO -0.04 0.52 -0.58 0.22 0.00 0.00 0.00 179.25 179.37 1uw0 h ASP 96 N 0.94 0.82 0.53 0.00 1.82 -0.61 0.88 116.42 120.80 1uw0 h ASP 96 Ca 0.24 -0.45 -0.18 0.00 -0.39 0.00 0.00 57.03 56.24 1uw0 h ASP 96 Cb 0.03 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.80 1uw0 h ASP 96 CO -0.04 1.22 -0.80 0.25 -1.61 0.00 0.00 179.24 178.26 1uw0 h LEU 97 N 0.55 0.26 0.10 2.28 5.85 -0.73 -3.34 115.31 120.28 1uw0 h LEU 97 Ca 0.00 -0.19 -0.36 0.00 0.84 0.00 0.00 57.88 58.17 1uw0 h LEU 97 Cb 1.17 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1uw0 h LEU 97 CO 0.12 0.96 -2.04 -0.24 -0.34 0.00 0.00 178.44 176.90 1uw0 n SER 98 N -3.71 2.09 -4.47 1.25 2.88 0.86 -4.96 113.62 107.56 1uw0 n SER 98 Ca -0.03 0.17 -0.26 0.00 -1.33 0.00 0.00 58.87 57.42 1uw0 n SER 98 Cb 0.76 -0.80 -0.11 0.00 -0.75 0.00 0.00 64.21 63.31 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 -6.96 3.67 -0.30 -3.46 0.15 0.30 -5.06 113.70 102.04 1uw0 s SER 99 Ca -0.25 -0.84 0.15 0.00 0.70 0.00 0.00 55.95 55.71 1uw0 s SER 99 Cb 0.07 -0.38 0.47 0.00 -1.71 0.00 0.00 66.02 64.48 1uw0 s SER 99 CO 0.73 0.09 1.10 0.29 1.20 0.00 0.00 173.24 176.66 1uw0 n LYS 100 N -0.03 2.37 -3.20 5.44 5.02 -1.26 -3.78 118.16 122.72 1uw0 n LYS 100 Ca -0.10 -3.78 -0.15 0.00 -2.02 0.00 0.00 58.31 52.26 1uw0 n LYS 100 Cb 0.57 -1.81 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 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 -0.51 -2.69 -3.69 7.82 0.00 -1.26 -4.98 120.51 115.19 1uw0 n ALA 101 Ca 0.22 0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.82 1uw0 n ALA 101 Cb 0.83 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.55 2.84 -0.58 0.00 0.00 -1.26 -5.01 121.76 115.20 1uw0 s ALA 102 Ca 0.17 -3.28 0.04 0.00 0.00 0.00 0.00 51.96 48.89 1uw0 s ALA 102 Cb -0.03 -1.94 0.16 0.00 0.00 0.00 0.00 23.12 21.31 1uw0 s ALA 102 CO 0.81 -2.05 0.38 0.20 0.00 0.00 0.00 175.76 175.10 1uw0 s GLY 103 N -0.84 2.34 -0.50 0.00 0.00 -1.26 -5.01 107.32 102.05 1uw0 s GLY 103 Ca 0.28 -3.29 0.03 0.00 0.00 0.00 0.00 44.72 41.75 1uw0 s GLY 103 CO -0.18 1.33 0.34 -0.51 0.00 0.00 0.00 173.10 174.07 1uw0 s THR 104 N -0.68 1.42 -1.10 0.90 -4.23 -1.26 -5.03 115.64 105.66 1uw0 s THR 104 Ca 0.23 -3.00 -0.20 0.00 -1.18 0.00 0.00 61.69 57.54 1uw0 s THR 104 Cb -0.10 -1.97 -0.07 0.00 1.34 0.00 0.00 72.50 71.70 1uw0 s THR 104 CO -0.11 -1.03 1.94 -0.81 -0.54 0.00 0.00 174.62 174.06 1uw0 n PRO 105 N 2.94 2.01 -2.69 3.99 -0.04 -1.26 -4.57 135.00 135.38 1uw0 n PRO 105 Ca 0.18 -2.42 -0.07 0.00 -0.04 0.00 0.00 63.50 61.15 1uw0 n PRO 105 Cb 0.39 -3.35 0.03 0.00 -0.04 0.00 0.00 33.50 30.53 1uw0 n PRO 105 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1uw0 n LYS 106 N 7.57 1.57 -3.78 0.54 5.02 -1.26 -5.04 118.16 122.78 1uw0 n LYS 106 Ca 0.48 -3.45 -0.29 0.00 -2.02 0.00 0.00 58.31 53.03 1uw0 n LYS 106 Cb 0.43 -1.47 -0.16 0.00 -0.02 0.00 0.00 35.03 33.82 1uw0 n LYS 106 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1uw0 s LYS 107 N -3.40 0.88 0.01 1.97 1.02 -1.26 -4.99 119.74 113.97 1uw0 s LYS 107 Ca 0.29 -0.84 -0.03 0.00 0.02 0.00 0.00 55.97 55.42 1uw0 s LYS 107 Cb 0.41 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 1uw0 s LYS 107 CO -0.00 -0.79 -0.06 1.17 -0.92 0.00 0.00 175.35 174.75 1uw0 n LYS 108 N 4.88 0.10 -5.07 1.68 4.81 -1.26 -5.05 118.16 118.25 1uw0 n LYS 108 Ca -0.06 0.04 -0.32 0.00 -0.87 0.00 0.00 58.31 57.10 1uw0 n LYS 108 Cb 0.44 -0.67 -0.15 0.00 0.02 0.00 0.00 35.03 34.67 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 -2.14 2.40 0.05 3.14 0.00 -1.26 -5.13 121.76 118.83 1uw0 s ALA 109 Ca -0.06 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.94 1uw0 s ALA 109 Cb 0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1uw0 s ALA 109 CO 0.08 0.46 -0.14 0.14 0.00 0.00 0.00 175.76 176.30 1uw0 s VAL 110 N -0.35 1.10 0.01 0.00 -7.23 -1.26 -5.15 120.40 107.51 1uw0 s VAL 110 Ca 0.03 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1uw0 s VAL 110 Cb -0.12 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 1uw0 s VAL 110 CO 0.02 -0.10 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.99 1uw0 s VAL 111 N -1.03 0.20 -0.53 1.32 1.01 -1.26 -5.11 120.40 115.00 1uw0 s VAL 111 Ca -0.00 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1uw0 s VAL 111 Cb -0.09 -0.23 0.13 0.00 0.00 0.00 0.00 36.38 36.20 1uw0 s VAL 111 CO 0.02 -0.12 0.29 -1.58 0.00 0.00 0.00 175.10 173.71 1uw0 s GLN 112 N -0.53 2.09 -0.05 2.72 0.74 -1.26 -5.08 119.66 118.30 1uw0 s GLN 112 Ca -0.04 -2.50 0.05 0.00 0.05 0.00 0.00 55.36 52.93 1uw0 s GLN 112 Cb -0.04 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 1uw0 s GLN 112 CO -0.00 -1.11 -0.21 0.00 -0.55 0.00 0.00 175.29 173.42 1uw0 s ALA 113 N -0.06 1.86 0.04 1.58 0.00 -1.26 -5.14 121.76 118.79 1uw0 s ALA 113 Ca 0.16 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.32 1uw0 s ALA 113 Cb -0.24 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1uw0 s ALA 113 CO -0.02 0.35 -0.22 0.15 0.00 0.00 0.00 175.76 176.03 1uw0 s LYS 114 N -0.08 1.46 -0.01 0.00 1.02 -1.26 -5.14 119.74 115.73 1uw0 s LYS 114 Ca -0.03 -0.97 0.07 0.00 0.02 0.00 0.00 55.97 55.05 1uw0 s LYS 114 Cb -0.13 -1.59 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1uw0 s LYS 114 CO 0.03 0.41 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.48 1uw0 s LEU 115 N -1.19 2.05 -0.19 3.17 2.96 -1.26 -5.13 118.68 119.10 1uw0 s LEU 115 Ca 0.08 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1uw0 s LEU 115 Cb -0.09 -1.09 0.02 0.00 0.50 0.00 0.00 46.19 45.53 1uw0 s LEU 115 CO 0.02 0.25 -0.18 0.42 -1.32 0.00 0.00 176.35 175.54 1uw0 s THR 116 N -0.53 2.18 0.00 3.68 -4.23 -1.26 -5.38 115.64 110.10 1uw0 s THR 116 Ca 0.08 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1uw0 s THR 116 Cb -0.08 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1uw0 s THR 116 CO -0.01 0.49 0.43 0.41 -0.54 0.00 0.00 174.62 175.40