#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uku s ILE 2 N 0.00 0.78 -0.06 3.17 -4.36 -0.36 -1.91 121.20 118.46 1uku s ILE 2 Ca 0.00 -1.71 -0.03 0.00 -0.26 0.00 0.00 60.65 58.65 1uku s ILE 2 Cb 0.00 -1.42 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 1uku s ILE 2 CO 0.00 -0.68 0.08 -0.63 0.24 0.00 0.00 174.94 173.94 1uku s ILE 3 N -2.86 4.84 -0.10 8.37 -1.09 -0.23 -1.91 121.20 128.22 1uku s ILE 3 Ca 0.07 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 1uku s ILE 3 Cb 0.00 -3.13 0.01 0.00 -1.58 0.00 0.00 42.46 37.76 1uku s ILE 3 CO -0.02 0.51 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.33 1uku s VAL 4 N -1.05 1.65 -0.13 2.92 1.01 -0.03 -0.89 120.40 123.89 1uku s VAL 4 Ca 0.18 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1uku s VAL 4 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1uku s VAL 4 CO 0.08 0.47 -0.05 -0.47 0.00 0.00 0.00 175.10 175.13 1uku s TYR 5 N 0.69 3.00 0.17 5.22 5.04 0.23 -0.42 117.35 131.28 1uku s TYR 5 Ca -0.12 -0.19 -0.06 0.00 -2.44 0.00 0.00 57.07 54.25 1uku s TYR 5 Cb -0.16 -1.87 -0.02 0.00 0.35 0.00 0.00 41.96 40.25 1uku s TYR 5 CO 0.03 0.09 0.22 -0.08 -1.34 0.00 0.00 175.55 174.47 1uku s THR 6 N -0.05 0.06 0.12 4.34 -1.32 -0.84 -1.48 115.64 116.48 1uku s THR 6 Ca 0.01 -1.60 0.07 0.00 -1.21 0.00 0.00 61.69 58.96 1uku s THR 6 Cb -0.13 -2.00 -0.04 0.00 -1.51 0.00 0.00 72.50 68.82 1uku s THR 6 CO 0.03 -0.29 -0.16 0.42 -2.21 0.00 0.00 174.62 172.41 1uku s THR 7 N -4.02 1.46 0.08 5.08 -4.23 -1.26 -0.89 115.64 111.87 1uku s THR 7 Ca 0.22 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 1uku s THR 7 Cb 0.05 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 1uku s THR 7 CO 0.03 -0.30 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.33 1uku s PHE 8 N -1.79 1.12 0.11 3.99 0.08 0.37 -4.83 117.98 117.05 1uku s PHE 8 Ca 0.08 -0.55 0.26 0.00 0.12 0.00 0.00 56.93 56.84 1uku s PHE 8 Cb -0.07 -0.62 1.02 0.00 -0.57 0.00 0.00 43.02 42.78 1uku s PHE 8 CO 0.04 0.03 1.86 -1.00 -0.10 0.00 0.00 175.22 176.05 1uku h PRO 9 N 3.94 0.00 0.00 0.24 0.13 -1.87 0.13 132.00 134.57 1uku h PRO 9 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1uku h PRO 9 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1uku h PRO 9 CO 0.46 0.16 0.00 -3.47 -0.23 0.00 0.00 178.00 174.92 1uku n ASP 10 N -3.31 0.00 0.03 1.44 2.03 -1.26 -4.48 116.55 110.99 1uku n ASP 10 Ca 0.00 -0.74 -0.11 0.00 0.52 0.00 0.00 54.79 54.46 1uku n ASP 10 Cb 0.40 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.82 1uku n ASP 10 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1uku h TRP 11 N 0.74 0.68 -0.17 -0.67 4.06 -1.96 -2.30 115.95 116.33 1uku h TRP 11 Ca 0.00 -0.29 -0.01 0.00 2.06 0.00 0.00 58.89 60.65 1uku h TRP 11 Cb 0.00 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1uku h TRP 11 CO 0.00 1.05 0.05 1.49 -3.56 0.00 0.00 178.44 177.47 1uku h GLU 12 N 0.36 0.27 -0.40 0.49 4.57 -1.99 0.75 114.58 118.63 1uku h GLU 12 Ca -0.03 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1uku h GLU 12 Cb 1.27 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1uku h GLU 12 CO 0.13 0.39 0.07 0.66 -1.18 0.00 0.00 179.01 179.08 1uku h SER 13 N 0.09 0.63 -0.21 1.04 4.64 -1.99 -1.17 113.55 116.59 1uku h SER 13 Ca 0.05 -0.26 0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1uku h SER 13 Cb 0.24 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1uku h SER 13 CO -0.00 0.73 0.10 0.00 -0.87 0.00 0.00 176.83 176.79 1uku h ALA 14 N 0.93 0.25 -0.47 5.18 0.00 -1.24 -1.26 119.26 122.65 1uku h ALA 14 Ca 0.12 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1uku h ALA 14 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1uku h ALA 14 CO 0.01 -0.31 -0.23 0.93 0.00 0.00 0.00 179.25 179.64 1uku h GLU 15 N 0.22 0.99 -0.24 0.00 5.08 -0.79 -1.11 114.58 118.73 1uku h GLU 15 Ca 0.08 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1uku h GLU 15 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1uku h GLU 15 CO -0.06 1.11 0.15 -0.22 -1.00 0.00 0.00 179.01 178.99 1uku h LYS 16 N 0.85 0.32 -0.23 2.33 3.64 -0.99 0.26 116.57 122.76 1uku h LYS 16 Ca 0.11 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1uku h LYS 16 Cb 0.81 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1uku h LYS 16 CO 0.07 0.25 -0.01 0.28 -2.27 0.00 0.00 179.45 177.77 1uku h VAL 17 N 0.31 1.26 -0.68 2.00 2.07 -1.17 -1.29 116.25 118.74 1uku h VAL 17 Ca 0.09 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1uku h VAL 17 Cb 0.00 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1uku h VAL 17 CO -0.02 0.28 0.19 0.58 0.02 0.00 0.00 177.57 178.62 1uku h VAL 18 N 0.17 1.26 -0.45 2.57 2.07 -1.06 -1.12 116.25 119.68 1uku h VAL 18 Ca 0.06 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 1uku h VAL 18 Cb 0.42 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1uku h VAL 18 CO 0.01 0.35 -0.13 0.11 0.02 0.00 0.00 177.57 177.94 1uku h LYS 19 N 1.01 0.84 -0.81 1.57 1.57 -0.86 -0.23 116.57 119.65 1uku h LYS 19 Ca 0.22 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1uku h LYS 19 Cb 0.34 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1uku h LYS 19 CO -0.00 0.92 0.45 1.15 -0.57 0.00 0.00 179.45 181.40 1uku h THR 20 N 0.75 1.24 -0.37 -0.16 2.02 -0.77 -0.16 112.91 115.46 1uku h THR 20 Ca 0.12 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.60 1uku h THR 20 Cb 0.63 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1uku h THR 20 CO 0.04 0.26 -0.26 -0.07 0.37 0.00 0.00 175.52 175.86 1uku h LEU 21 N 1.12 0.79 -0.29 2.58 3.38 -0.78 -1.03 115.31 121.09 1uku h LEU 21 Ca 0.29 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1uku h LEU 21 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1uku h LEU 21 CO -0.05 1.01 0.07 -0.07 0.09 0.00 0.00 178.44 179.49 1uku h LEU 22 N 0.66 0.44 -1.41 1.67 3.38 -0.76 -1.04 115.31 118.25 1uku h LEU 22 Ca 0.08 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1uku h LEU 22 Cb 0.78 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1uku h LEU 22 CO 0.06 0.56 0.42 0.11 0.09 0.00 0.00 178.44 179.68 1uku h LYS 23 N 0.30 0.76 -0.00 1.13 1.57 -0.71 -0.14 116.57 119.47 1uku h LYS 23 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1uku h LYS 23 Cb 0.29 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1uku h LYS 23 CO 0.00 0.51 -0.01 0.39 -0.57 0.00 0.00 179.45 179.77 1uku n GLU 24 N -4.46 1.16 -2.48 3.15 1.02 -0.42 -4.92 120.64 113.70 1uku n GLU 24 Ca 0.07 -0.32 -0.19 0.00 -0.02 0.00 0.00 57.16 56.70 1uku n GLU 24 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1uku n GLU 24 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1uku n ARG 25 N -0.64 -2.14 0.09 3.49 5.12 -0.07 -4.78 116.66 117.73 1uku n ARG 25 Ca 0.21 0.89 0.12 0.00 -1.93 0.00 0.00 57.85 57.14 1uku n ARG 25 Cb 0.20 -5.47 0.04 0.00 -1.16 0.00 0.00 32.46 26.07 1uku n ARG 25 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1uku h LEU 26 N -0.27 0.00 -8.31 0.55 3.38 -1.44 -0.18 115.31 109.04 1uku h LEU 26 Ca -0.45 -0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.15 1uku h LEU 26 Cb 1.33 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.89 1uku h LEU 26 CO 0.53 0.04 -0.73 0.27 0.09 0.00 0.00 178.44 178.63 1uku s ILE 27 N -3.31 0.71 -0.07 1.22 -4.36 -1.24 -4.77 121.20 109.38 1uku s ILE 27 Ca 0.01 -1.40 0.14 0.00 -0.26 0.00 0.00 60.65 59.14 1uku s ILE 27 Cb 0.11 -1.04 -0.20 0.00 1.25 0.00 0.00 42.46 42.58 1uku s ILE 27 CO 0.78 -0.51 0.73 0.00 0.24 0.00 0.00 174.94 176.17 1uku n ALA 28 N 0.93 1.65 -3.54 2.27 0.00 -0.32 -4.61 120.51 116.88 1uku n ALA 28 Ca -0.19 -0.68 -0.07 0.00 0.00 0.00 0.00 53.44 52.50 1uku n ALA 28 Cb 0.57 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 1uku n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uku s ALA 30 N -3.10 0.62 -0.17 0.00 0.00 -1.26 -1.58 121.76 116.28 1uku s ALA 30 Ca 0.06 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1uku s ALA 30 Cb -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1uku s ALA 30 CO -0.07 0.12 -0.19 -0.80 0.00 0.00 0.00 175.76 174.81 1uku s ASN 31 N -0.53 3.20 -0.09 0.00 0.02 0.17 -4.97 114.94 112.74 1uku s ASN 31 Ca 0.00 -0.62 0.02 0.00 -1.02 0.00 0.00 52.86 51.24 1uku s ASN 31 Cb -0.05 -1.49 -0.02 0.00 0.02 0.00 0.00 41.25 39.72 1uku s ASN 31 CO 0.00 0.02 -0.15 -0.76 0.02 0.00 0.00 177.10 176.23 1uku s LEU 32 N 1.19 2.66 -0.10 0.60 1.02 -1.26 -0.94 118.68 121.84 1uku s LEU 32 Ca 0.02 -0.29 -0.20 0.00 0.02 0.00 0.00 54.13 53.68 1uku s LEU 32 Cb -0.14 -1.56 0.05 0.00 0.02 0.00 0.00 46.19 44.56 1uku s LEU 32 CO -0.10 0.25 0.50 0.00 0.02 0.00 0.00 176.35 177.02 1uku s ARG 33 N -0.14 0.74 0.62 1.70 3.03 -0.65 -4.99 118.95 119.26 1uku s ARG 33 Ca -0.01 0.32 -0.18 0.00 2.03 0.00 0.00 55.73 57.89 1uku s ARG 33 Cb -0.14 0.35 -0.02 0.00 -1.03 0.00 0.00 34.95 34.11 1uku s ARG 33 CO 0.03 -0.17 1.24 -1.21 -1.13 0.00 0.00 175.30 174.06 1uku s GLU 34 N -0.59 2.78 0.24 3.89 2.02 -1.26 -0.62 118.70 125.15 1uku s GLU 34 Ca -0.07 1.90 -0.13 0.00 0.02 0.00 0.00 54.97 56.69 1uku s GLU 34 Cb -0.03 -1.89 -0.00 0.00 0.10 0.00 0.00 34.13 32.30 1uku s GLU 34 CO 0.04 -1.38 0.48 -3.38 0.02 0.00 0.00 175.26 171.04 1uku s HIS 35 N -1.55 0.30 -0.19 1.61 -3.43 -0.60 -4.80 115.29 106.63 1uku s HIS 35 Ca 0.79 -0.67 -0.05 0.00 -0.80 0.00 0.00 55.06 54.33 1uku s HIS 35 Cb -0.33 0.21 -0.03 0.00 -1.43 0.00 0.00 32.58 31.01 1uku s HIS 35 CO 0.36 -0.98 -0.00 1.03 -2.00 0.00 0.00 174.74 173.15 1uku s ARG 36 N -4.00 3.66 -0.09 -0.38 0.52 -1.26 -1.41 118.95 115.99 1uku s ARG 36 Ca 0.21 -0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 54.86 1uku s ARG 36 Cb -0.01 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 1uku s ARG 36 CO 0.08 0.07 0.10 0.00 0.02 0.00 0.00 175.30 175.57 1uku s ALA 37 N 0.85 3.72 -0.06 2.13 0.00 0.11 -4.96 121.76 123.54 1uku s ALA 37 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1uku s ALA 37 Cb -0.14 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1uku s ALA 37 CO 0.02 0.63 -0.13 -0.06 0.00 0.00 0.00 175.76 176.22 1uku s PHE 38 N -1.04 1.48 0.26 0.00 0.40 -1.26 -1.40 117.98 116.43 1uku s PHE 38 Ca 0.16 -0.53 -0.21 0.00 -0.60 0.00 0.00 56.93 55.76 1uku s PHE 38 Cb -0.12 -1.07 0.05 0.00 0.51 0.00 0.00 43.02 42.39 1uku s PHE 38 CO 0.06 -0.26 0.87 1.52 0.70 0.00 0.00 175.22 178.11 1uku s TYR 39 N 0.58 -0.02 -0.03 0.36 1.13 -0.50 -4.99 117.35 113.88 1uku s TYR 39 Ca -0.13 -0.46 -0.20 0.00 -1.41 0.00 0.00 57.07 54.87 1uku s TYR 39 Cb -0.15 0.73 -0.05 0.00 -1.10 0.00 0.00 41.96 41.39 1uku s TYR 39 CO 0.04 -1.18 0.57 -1.58 -2.51 0.00 0.00 175.55 170.89 1uku s TRP 40 N -2.87 3.64 -0.13 -3.49 0.52 -1.26 -0.22 118.94 115.13 1uku s TRP 40 Ca 0.15 1.13 -0.02 0.00 0.02 0.00 0.00 56.10 57.38 1uku s TRP 40 Cb -0.04 -2.59 0.04 0.00 -1.15 0.00 0.00 33.47 29.73 1uku s TRP 40 CO 0.07 0.31 0.02 -0.46 0.02 0.00 0.00 176.95 176.91 1uku s TRP 41 N -0.01 0.80 -1.32 -1.98 -0.00 -0.11 -4.89 118.94 111.42 1uku s TRP 41 Ca 0.30 -0.48 -0.03 0.00 -0.00 0.00 0.00 56.10 55.89 1uku s TRP 41 Cb -0.17 -0.89 -0.00 0.00 -0.00 0.00 0.00 33.47 32.40 1uku s TRP 41 CO 0.16 -0.46 0.59 0.39 -0.00 0.00 0.00 176.95 177.62 1uku n GLU 42 N 5.11 -3.54 -1.00 5.86 1.02 -1.26 -1.68 120.64 125.16 1uku n GLU 42 Ca -0.08 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1uku n GLU 42 Cb 0.49 -4.72 0.00 0.00 -0.02 0.00 0.00 31.44 27.18 1uku n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uku n GLY 43 N -1.77 0.52 3.19 0.62 0.00 -1.26 -5.01 105.19 101.48 1uku n GLY 43 Ca -0.27 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1uku n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uku s LYS 44 N -0.11 1.02 -0.18 1.61 1.02 -0.67 -5.11 119.74 117.32 1uku s LYS 44 Ca 0.00 -0.90 -0.28 0.00 0.02 0.00 0.00 55.97 54.81 1uku s LYS 44 Cb 0.00 -1.09 -0.00 0.00 -0.52 0.00 0.00 37.83 36.22 1uku s LYS 44 CO 0.00 0.26 0.98 0.42 -0.92 0.00 0.00 175.35 176.09 1uku s ILE 45 N -0.98 4.76 -0.02 2.17 1.01 -1.26 -0.94 121.20 125.94 1uku s ILE 45 Ca 0.03 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.62 1uku s ILE 45 Cb -0.09 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1uku s ILE 45 CO 0.02 -0.08 0.01 -0.70 0.00 0.00 0.00 174.94 174.18 1uku s GLU 46 N 2.65 2.86 0.08 2.79 2.12 0.69 -4.94 118.70 124.95 1uku s GLU 46 Ca 0.44 -0.55 0.07 0.00 0.36 0.00 0.00 54.97 55.29 1uku s GLU 46 Cb -0.16 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 1uku s GLU 46 CO 0.11 0.65 -0.15 -2.00 -0.54 0.00 0.00 175.26 173.32 1uku s GLU 47 N -1.40 2.02 -0.06 4.30 2.12 -1.26 -1.41 118.70 123.01 1uku s GLU 47 Ca 0.18 -1.04 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 1uku s GLU 47 Cb -0.11 -2.21 0.03 0.00 0.26 0.00 0.00 34.13 32.09 1uku s GLU 47 CO 0.08 0.52 0.16 0.34 -0.54 0.00 0.00 175.26 175.82 1uku s ASP 48 N -1.84 -0.15 0.01 -1.70 2.15 -0.49 -4.99 116.67 109.66 1uku s ASP 48 Ca 0.17 0.33 -0.30 0.00 0.43 0.00 0.00 52.55 53.18 1uku s ASP 48 Cb -0.11 0.27 -0.03 0.00 -0.30 0.00 0.00 42.92 42.75 1uku s ASP 48 CO 0.09 -0.10 0.97 -0.54 -0.17 0.00 0.00 175.17 175.42 1uku s LYS 49 N 0.60 4.57 0.26 4.34 1.02 -1.26 -0.72 119.74 128.56 1uku s LYS 49 Ca -0.04 1.42 0.02 0.00 0.02 0.00 0.00 55.97 57.38 1uku s LYS 49 Cb -0.06 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1uku s LYS 49 CO -0.03 -0.02 0.13 -1.21 -0.92 0.00 0.00 175.35 173.30 1uku s GLU 50 N 0.90 1.44 -0.22 1.68 2.02 -0.50 -4.72 118.70 119.30 1uku s GLU 50 Ca 0.51 -1.79 -0.01 0.00 0.02 0.00 0.00 54.97 53.70 1uku s GLU 50 Cb -0.21 -0.07 0.02 0.00 0.10 0.00 0.00 34.13 33.97 1uku s GLU 50 CO 0.28 -0.38 -0.11 0.08 0.02 0.00 0.00 175.26 175.15 1uku s VAL 51 N -3.78 2.69 0.31 2.63 1.01 0.45 -1.55 120.40 122.16 1uku s VAL 51 Ca 0.37 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1uku s VAL 51 Cb 0.06 -2.27 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 1uku s VAL 51 CO 0.15 0.35 0.75 -0.83 0.00 0.00 0.00 175.10 175.53 1uku s GLY 52 N 1.34 2.39 -0.08 4.51 0.00 0.21 -0.47 107.32 115.21 1uku s GLY 52 Ca 0.03 0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.84 1uku s GLY 52 CO -0.07 0.33 -0.05 0.00 0.00 0.00 0.00 173.10 173.31 1uku s ALA 53 N -1.92 1.00 -0.34 3.20 0.00 -0.07 -1.64 121.76 121.99 1uku s ALA 53 Ca 0.53 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 1uku s ALA 53 Cb -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1uku s ALA 53 CO 0.18 -0.30 0.20 0.42 0.00 0.00 0.00 175.76 176.26 1uku s ILE 54 N 1.54 4.83 -0.01 0.00 1.01 -0.11 -1.98 121.20 126.47 1uku s ILE 54 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1uku s ILE 54 Cb -0.13 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1uku s ILE 54 CO -0.04 -0.06 0.01 -0.76 0.00 0.00 0.00 174.94 174.08 1uku s LEU 55 N 1.63 3.55 -0.11 2.97 1.43 0.44 -0.66 118.68 127.94 1uku s LEU 55 Ca 0.04 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1uku s LEU 55 Cb -0.18 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1uku s LEU 55 CO 0.08 0.29 -0.19 -0.54 0.23 0.00 0.00 176.35 176.22 1uku s LYS 56 N -1.49 2.62 0.20 1.70 1.02 -0.61 -0.85 119.74 122.33 1uku s LYS 56 Ca 0.19 -0.72 -0.05 0.00 0.02 0.00 0.00 55.97 55.41 1uku s LYS 56 Cb -0.12 -2.10 0.02 0.00 -0.52 0.00 0.00 37.83 35.11 1uku s LYS 56 CO 0.10 0.03 0.36 -2.37 -0.92 0.00 0.00 175.35 172.55 1uku n THR 57 N 3.92 0.00 -3.00 2.17 5.66 -0.80 -1.18 114.28 121.05 1uku n THR 57 Ca -0.20 -0.67 -0.33 0.00 -3.05 0.00 0.00 64.05 59.81 1uku n THR 57 Cb 0.52 0.54 -0.06 0.00 -1.55 0.00 0.00 70.33 69.78 1uku n THR 57 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1uku s ARG 58 N -2.18 4.09 0.22 1.09 0.52 -1.26 -1.22 118.95 120.21 1uku s ARG 58 Ca 0.11 0.84 -0.07 0.00 -0.52 0.00 0.00 55.73 56.09 1uku s ARG 58 Cb -0.02 -2.33 0.35 0.00 0.52 0.00 0.00 34.95 33.47 1uku s ARG 58 CO 0.08 0.08 1.76 0.93 0.02 0.00 0.00 175.30 178.16 1uku h GLU 59 N 2.09 0.49 0.00 3.54 3.07 -1.93 -2.30 114.58 119.54 1uku h GLU 59 Ca -0.48 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1uku h GLU 59 Cb 1.18 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1uku h GLU 59 CO 0.64 0.32 0.00 -0.40 -1.40 0.00 0.00 179.01 178.17 1uku n ASP 60 N -4.94 0.60 -0.54 1.42 5.75 -1.26 -1.93 116.55 115.66 1uku n ASP 60 Ca 0.11 0.67 0.14 0.00 -0.01 0.00 0.00 54.79 55.70 1uku n ASP 60 Cb 0.31 -0.79 0.43 0.00 -1.03 0.00 0.00 41.12 40.04 1uku n ASP 60 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1uku n LEU 61 N -2.19 1.72 0.03 -2.12 4.77 -0.86 -4.59 117.00 113.75 1uku n LEU 61 Ca 0.01 -0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 55.32 1uku n LEU 61 Cb 0.18 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1uku n LEU 61 CO 0.17 0.29 0.71 -0.25 -1.33 0.00 0.00 177.39 176.97 1uku h TRP 62 N 2.65 -0.62 -0.59 -1.77 -0.00 -1.47 0.23 115.95 114.38 1uku h TRP 62 Ca 0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 58.82 1uku h TRP 62 Cb 0.59 0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 30.01 1uku h TRP 62 CO 0.00 -0.32 0.02 0.93 -0.00 0.00 0.00 178.44 179.07 1uku h GLU 63 N -0.33 1.03 -0.63 2.65 4.39 -1.84 0.10 114.58 119.95 1uku h GLU 63 Ca 0.08 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 1uku h GLU 63 Cb 0.44 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1uku h GLU 63 CO -0.25 1.01 0.17 1.49 -1.16 0.00 0.00 179.01 180.27 1uku h GLU 64 N 0.93 1.00 -0.34 2.33 4.81 -1.82 -1.59 114.58 119.89 1uku h GLU 64 Ca 0.17 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1uku h GLU 64 Cb 0.53 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1uku h GLU 64 CO 0.03 0.90 -0.09 1.25 -0.73 0.00 0.00 179.01 180.36 1uku h LEU 65 N 0.92 0.67 -0.59 1.64 5.85 -0.52 -1.76 115.31 121.53 1uku h LEU 65 Ca 0.20 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1uku h LEU 65 Cb 0.34 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1uku h LEU 65 CO -0.00 0.89 0.37 0.50 -0.34 0.00 0.00 178.44 179.86 1uku h LYS 66 N 0.45 0.73 -0.57 1.25 3.64 -0.69 0.09 116.57 121.47 1uku h LYS 66 Ca 0.09 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1uku h LYS 66 Cb 0.60 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1uku h LYS 66 CO 0.04 0.48 0.23 1.49 -2.27 0.00 0.00 179.45 179.41 1uku h GLU 67 N 0.75 0.85 -0.64 1.90 4.57 -1.17 -1.25 114.58 119.59 1uku h GLU 67 Ca 0.23 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 58.18 1uku h GLU 67 Cb -0.03 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 1uku h GLU 67 CO -0.08 0.73 0.12 0.00 -1.18 0.00 0.00 179.01 178.61 1uku h ARG 68 N 0.78 1.03 -0.68 1.92 2.47 -0.85 -1.23 114.38 117.82 1uku h ARG 68 Ca 0.19 -0.25 -0.04 0.00 -1.26 0.00 0.00 59.98 58.61 1uku h ARG 68 Cb 0.20 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 1uku h ARG 68 CO -0.02 0.93 0.25 0.82 0.56 0.00 0.00 179.97 182.52 1uku h ILE 69 N 0.97 1.25 -0.83 2.04 2.04 -0.76 -0.17 117.51 122.05 1uku h ILE 69 Ca 0.20 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1uku h ILE 69 Cb 0.39 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 1uku h ILE 69 CO 0.01 0.31 0.51 0.11 0.00 0.00 0.00 178.15 179.09 1uku h LYS 70 N 0.97 0.92 0.00 2.37 1.57 -0.68 -0.28 116.57 121.44 1uku h LYS 70 Ca 0.22 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1uku h LYS 70 Cb 0.24 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1uku h LYS 70 CO -0.01 0.61 -0.21 0.93 -0.57 0.00 0.00 179.45 180.20 1uku h GLU 71 N 0.95 0.00 0.00 3.15 5.08 -0.58 -3.25 114.58 119.93 1uku h GLU 71 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1uku h GLU 71 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1uku h GLU 71 CO -0.16 0.21 -1.00 1.28 -1.00 0.00 0.00 179.01 178.34 1uku n LEU 72 N -3.32 0.71 -4.74 1.33 4.77 -0.14 -5.02 117.00 110.58 1uku n LEU 72 Ca 0.01 -0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.16 1uku n LEU 72 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1uku n LEU 72 CO 0.33 0.18 0.69 -2.28 -1.33 0.00 0.00 177.39 174.98 1uku s HIS 73 N -2.78 3.82 0.21 -1.77 2.46 -0.18 -4.94 115.29 112.12 1uku s HIS 73 Ca 0.05 1.80 0.36 0.00 0.47 0.00 0.00 55.06 57.74 1uku s HIS 73 Cb 0.13 -3.08 1.62 0.00 -0.13 0.00 0.00 32.58 31.11 1uku s HIS 73 CO 0.74 0.10 2.07 -1.00 -2.47 0.00 0.00 174.74 174.17 1uku h PRO 74 N 4.80 0.00 -6.24 2.88 0.13 -1.93 -3.44 132.00 128.21 1uku h PRO 74 Ca -0.44 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.13 1uku h PRO 74 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1uku h PRO 74 CO 0.70 0.00 0.02 0.71 -0.23 0.00 0.00 178.00 179.20 1uku s TYR 75 N -3.77 3.78 0.21 1.56 2.02 -1.26 -4.98 117.35 114.92 1uku s TYR 75 Ca -0.00 1.32 -0.09 0.00 -0.37 0.00 0.00 57.07 57.93 1uku s TYR 75 Cb 0.10 -2.60 0.24 0.00 -0.40 0.00 0.00 41.96 39.30 1uku s TYR 75 CO 0.50 0.49 1.83 -0.44 -1.57 0.00 0.00 175.55 176.36 1uku h ASP 76 N 4.90 0.68 -3.07 2.29 3.32 -1.98 -3.33 116.42 119.22 1uku h ASP 76 Ca -0.48 0.01 -0.61 0.00 0.02 0.00 0.00 57.03 55.97 1uku h ASP 76 Cb 1.21 -0.13 -0.41 0.00 0.22 0.00 0.00 39.33 40.22 1uku h ASP 76 CO 0.66 0.45 -0.68 -0.69 -1.72 0.00 0.00 179.24 177.26 1uku s VAL 77 N -6.10 2.19 0.61 -1.35 1.01 -1.26 -5.11 120.40 110.40 1uku s VAL 77 Ca -0.13 -3.71 -0.12 0.00 0.00 0.00 0.00 61.98 58.02 1uku s VAL 77 Cb 0.16 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1uku s VAL 77 CO 0.77 -1.03 1.03 -2.16 0.00 0.00 0.00 175.10 173.70 1uku s PRO 78 N -0.89 3.58 -0.19 2.72 0.04 -1.25 -5.03 135.00 133.98 1uku s PRO 78 Ca 0.25 0.81 -0.23 0.00 0.04 0.00 0.00 61.00 61.87 1uku s PRO 78 Cb -0.06 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1uku s PRO 78 CO -0.15 -0.58 0.74 0.00 0.04 0.00 0.00 177.00 177.05 1uku s ALA 79 N -3.06 3.54 -0.37 8.56 0.00 -1.26 -5.02 121.76 124.14 1uku s ALA 79 Ca 0.56 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1uku s ALA 79 Cb -0.11 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 20.00 1uku s ALA 79 CO 0.50 -0.64 0.16 0.42 0.00 0.00 0.00 175.76 176.20 1uku s ILE 80 N 2.11 1.16 -0.23 0.00 1.01 -1.26 -4.10 121.20 119.90 1uku s ILE 80 Ca 0.34 -1.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.00 1uku s ILE 80 Cb -0.16 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1uku s ILE 80 CO 0.11 -0.77 -0.06 -0.63 0.00 0.00 0.00 174.94 173.58 1uku s ILE 81 N 1.02 2.99 -0.22 2.92 1.01 -0.55 -4.96 121.20 123.41 1uku s ILE 81 Ca 0.13 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.81 1uku s ILE 81 Cb -0.21 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1uku s ILE 81 CO -0.12 0.30 0.34 -0.60 0.00 0.00 0.00 174.94 174.86 1uku s ARG 82 N 1.38 4.13 -0.16 2.79 3.52 -1.26 -0.60 118.95 128.75 1uku s ARG 82 Ca 0.03 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.71 1uku s ARG 82 Cb -0.15 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1uku s ARG 82 CO -0.05 -0.04 -0.19 0.42 -0.81 0.00 0.00 175.30 174.63 1uku s ILE 83 N 1.34 1.90 0.39 4.11 1.01 -0.07 -5.01 121.20 124.87 1uku s ILE 83 Ca 0.16 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 1uku s ILE 83 Cb -0.15 -1.72 -0.09 0.00 0.01 0.00 0.00 42.46 40.52 1uku s ILE 83 CO 0.07 0.52 1.14 -1.81 0.00 0.00 0.00 174.94 174.86 1uku s ASP 84 N 1.20 6.61 -0.27 3.58 1.11 -1.26 -1.06 116.67 126.58 1uku s ASP 84 Ca 0.01 2.28 -0.17 0.00 0.18 0.00 0.00 52.55 54.86 1uku s ASP 84 Cb -0.14 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.21 1uku s ASP 84 CO -0.09 -0.61 0.46 -0.69 1.18 0.00 0.00 175.17 175.42 1uku s VAL 85 N -1.44 5.11 0.13 -1.27 1.01 -0.80 -4.87 120.40 118.27 1uku s VAL 85 Ca 0.56 0.73 0.16 0.00 0.00 0.00 0.00 61.98 63.43 1uku s VAL 85 Cb -0.29 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.37 1uku s VAL 85 CO 0.37 0.10 1.62 0.44 0.00 0.00 0.00 175.10 177.63 1uku h ASP 86 N 8.10 0.00 -4.61 3.32 5.19 -1.95 -3.41 116.42 123.06 1uku h ASP 86 Ca -0.30 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.16 1uku h ASP 86 Cb 1.15 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.48 1uku h ASP 86 CO 0.69 0.50 0.41 -0.62 -3.12 0.00 0.00 179.24 177.09 1uku s ASP 87 N -6.54 -0.45 0.01 6.45 2.15 -1.26 -5.11 116.67 111.92 1uku s ASP 87 Ca 0.01 0.25 -0.19 0.00 0.43 0.00 0.00 52.55 53.04 1uku s ASP 87 Cb 0.11 0.42 0.04 0.00 -0.30 0.00 0.00 42.92 43.19 1uku s ASP 87 CO 0.72 -0.59 0.43 0.54 -0.17 0.00 0.00 175.17 176.10 1uku s VAL 88 N -2.28 0.05 0.28 1.11 0.11 -1.26 -5.10 120.40 113.31 1uku s VAL 88 Ca -0.01 -0.38 -0.30 0.00 -2.93 0.00 0.00 61.98 58.37 1uku s VAL 88 Cb -0.01 -0.84 -0.11 0.00 -1.53 0.00 0.00 36.38 33.89 1uku s VAL 88 CO -0.03 -0.21 1.55 0.54 -3.33 0.00 0.00 175.10 173.62 1uku s ASN 89 N -1.61 6.45 0.27 3.54 4.22 -1.26 -4.89 114.94 121.66 1uku s ASN 89 Ca -0.09 2.87 -0.03 0.00 -2.14 0.00 0.00 52.86 53.47 1uku s ASN 89 Cb -0.02 -2.63 0.37 0.00 1.28 0.00 0.00 41.25 40.25 1uku s ASN 89 CO 0.02 -0.85 1.93 -0.08 -2.04 0.00 0.00 177.10 176.08 1uku h GLU 90 N 4.81 1.19 -0.86 3.55 4.57 -2.00 -2.33 114.58 123.51 1uku h GLU 90 Ca -0.47 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 57.66 1uku h GLU 90 Cb 1.22 -0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 29.50 1uku h GLU 90 CO 0.78 0.79 0.57 0.38 -1.18 0.00 0.00 179.01 180.34 1uku h ASP 91 N 1.22 0.96 -0.22 1.04 2.03 -2.00 0.32 116.42 119.78 1uku h ASP 91 Ca 0.37 -0.02 -0.07 0.00 -0.73 0.00 0.00 57.03 56.58 1uku h ASP 91 Cb -0.03 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.23 1uku h ASP 91 CO -0.11 0.69 -0.14 0.22 -1.03 0.00 0.00 179.24 178.87 1uku h TYR 92 N 1.13 0.56 -0.81 4.15 3.20 -1.85 -2.37 116.97 120.98 1uku h TYR 92 Ca 0.32 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1uku h TYR 92 Cb -0.08 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 1uku h TYR 92 CO -0.00 0.78 0.52 1.25 -1.64 0.00 0.00 178.16 179.07 1uku h LEU 93 N 0.19 0.85 -0.67 2.82 5.85 -0.91 0.20 115.31 123.64 1uku h LEU 93 Ca 0.05 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1uku h LEU 93 Cb 0.65 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1uku h LEU 93 CO 0.04 0.58 0.36 0.50 -0.34 0.00 0.00 178.44 179.57 1uku h LYS 94 N 0.99 0.94 -0.35 1.25 1.63 -0.89 -1.05 116.57 119.10 1uku h LYS 94 Ca 0.33 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 1uku h LYS 94 Cb 0.04 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 1uku h LYS 94 CO -0.12 0.72 0.18 2.35 -3.45 0.00 0.00 179.45 179.12 1uku h TRP 95 N 0.92 0.49 -0.86 1.91 7.01 -0.88 -0.73 115.95 123.82 1uku h TRP 95 Ca 0.23 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 1uku h TRP 95 Cb 0.06 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 1uku h TRP 95 CO -0.00 0.41 0.49 1.25 -2.79 0.00 0.00 178.44 177.80 1uku h LEU 96 N 0.43 1.05 -0.55 0.65 6.46 -0.53 -0.97 115.31 121.85 1uku h LEU 96 Ca 0.12 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.74 1uku h LEU 96 Cb 0.09 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.73 1uku h LEU 96 CO -0.02 0.83 0.12 0.40 -0.62 0.00 0.00 178.44 179.15 1uku h ILE 97 N 1.19 1.25 -0.65 4.05 2.04 -1.01 -2.69 117.51 121.69 1uku h ILE 97 Ca 0.30 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1uku h ILE 97 Cb -0.01 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1uku h ILE 97 CO -0.05 0.33 0.40 -0.33 0.00 0.00 0.00 178.15 178.50 1uku h GLU 98 N 0.80 0.87 -0.01 2.37 5.08 -0.54 -2.82 114.58 120.32 1uku h GLU 98 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1uku h GLU 98 Cb 0.37 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1uku h GLU 98 CO 0.00 0.60 -0.16 0.39 -1.00 0.00 0.00 179.01 178.85 1uku n GLU 99 N -4.41 0.93 -4.21 2.33 -0.58 -0.42 -4.88 120.64 109.39 1uku n GLU 99 Ca 0.07 -0.47 -0.23 0.00 -0.42 0.00 0.00 57.16 56.11 1uku n GLU 99 Cb 0.06 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.38 1uku n GLU 99 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1uku s THR 100 N -2.39 3.94 0.61 2.62 -4.23 -1.04 -4.76 115.64 110.39 1uku s THR 100 Ca 0.29 -1.65 -0.17 0.00 -1.18 0.00 0.00 61.69 58.98 1uku s THR 100 Cb 0.20 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1uku s THR 100 CO 0.47 -0.35 1.16 -1.59 -0.54 0.00 0.00 174.62 173.76 1uku s LYS 101 N -3.71 2.95 0.00 3.99 -2.85 -0.08 -4.96 119.74 115.07 1uku s LYS 101 Ca 0.32 1.63 0.00 0.00 -1.00 0.00 0.00 55.97 56.92 1uku s LYS 101 Cb -0.07 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 1uku s LYS 101 CO 0.22 -1.18 0.36 1.63 0.10 0.00 0.00 175.35 176.49