#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cku n ALA 2 N 0.00 -3.05 -1.61 -1.46 0.00 -1.26 -4.91 120.51 108.22 1cku n ALA 2 Ca 0.00 -0.72 -0.40 0.00 0.00 0.00 0.00 53.44 52.32 1cku n ALA 2 Cb 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 19.45 17.77 1cku n ALA 2 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1cku n PRO 3 N -1.44 1.25 0.12 0.00 -0.02 -1.26 -4.84 135.00 128.81 1cku n PRO 3 Ca 0.05 0.45 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 1cku n PRO 3 Cb 0.55 -2.10 0.66 0.00 -0.02 0.00 0.00 33.50 32.59 1cku n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cku h ALA 4 N 1.23 2.25 -0.52 3.55 0.00 -2.00 -1.53 119.26 122.25 1cku h ALA 4 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1cku h ALA 4 Cb 1.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1cku h ALA 4 CO 0.55 -0.33 0.03 0.27 0.00 0.00 0.00 179.25 179.76 1cku n ASN 5 N -4.46 5.19 -4.78 0.00 6.94 -1.26 -4.95 115.26 111.95 1cku n ASN 5 Ca 0.04 -3.00 -0.41 0.00 -0.02 0.00 0.00 54.58 51.19 1cku n ASN 5 Cb 0.36 -0.66 -0.00 0.00 -2.36 0.00 0.00 39.78 37.11 1cku n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cku s ALA 6 N -2.82 3.51 -0.02 -2.53 0.00 -0.58 -1.01 121.76 118.31 1cku s ALA 6 Ca 0.52 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.68 1cku s ALA 6 Cb 0.40 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 1cku s ALA 6 CO 0.14 -1.00 1.57 0.08 0.00 0.00 0.00 175.76 176.55 1cku s VAL 7 N -1.14 3.52 0.41 0.00 1.01 0.13 -4.83 120.40 119.50 1cku s VAL 7 Ca 0.53 0.80 -0.08 0.00 0.00 0.00 0.00 61.98 63.23 1cku s VAL 7 Cb -0.45 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1cku s VAL 7 CO 0.60 -0.04 0.74 0.00 0.00 0.00 0.00 175.10 176.40 1cku s ALA 8 N 3.28 3.41 0.47 5.51 0.00 -1.26 -4.98 121.76 128.19 1cku s ALA 8 Ca 0.70 -0.34 0.26 0.00 0.00 0.00 0.00 51.96 52.58 1cku s ALA 8 Cb -0.34 -2.60 1.50 0.00 0.00 0.00 0.00 23.12 21.68 1cku s ALA 8 CO 0.29 -0.06 2.11 0.00 0.00 0.00 0.00 175.76 178.10 1cku h ALA 9 N 1.05 1.40 -0.44 0.00 0.00 -1.96 -1.22 119.26 118.10 1cku h ALA 9 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1cku h ALA 9 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cku h ALA 9 CO 0.64 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 1cku n ASP 10 N -3.78 2.79 -4.74 0.00 5.68 -1.26 -4.56 116.55 110.68 1cku n ASP 10 Ca -0.02 -1.94 -0.42 0.00 -0.50 0.00 0.00 54.79 51.91 1cku n ASP 10 Cb 0.19 -0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 39.86 1cku n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1cku n ASP 11 N 1.03 3.93 -0.09 -1.12 -0.08 -0.46 -4.89 116.55 114.87 1cku n ASP 11 Ca 0.18 1.13 -0.02 0.00 -1.51 0.00 0.00 54.79 54.56 1cku n ASP 11 Cb 0.47 -1.59 0.21 0.00 2.34 0.00 0.00 41.12 42.55 1cku n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cku h ALA 12 N 5.31 1.23 -0.38 -1.67 0.00 -1.91 -1.39 119.26 120.46 1cku h ALA 12 Ca -0.46 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1cku h ALA 12 Cb 1.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1cku h ALA 12 CO 0.84 0.52 -0.02 1.15 0.00 0.00 0.00 179.25 181.73 1cku h THR 13 N 0.70 1.26 -0.57 0.00 2.02 -1.97 -2.26 112.91 112.09 1cku h THR 13 Ca 0.15 -1.04 0.09 0.00 0.77 0.00 0.00 66.41 66.38 1cku h THR 13 Cb 0.34 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.87 1cku h THR 13 CO 0.01 0.35 0.19 0.00 0.37 0.00 0.00 175.52 176.43 1cku h ALA 14 N 0.86 0.71 -0.37 6.16 0.00 -1.76 0.33 119.26 125.19 1cku h ALA 14 Ca 0.10 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1cku h ALA 14 Cb 0.50 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1cku h ALA 14 CO 0.02 -0.22 0.03 0.82 0.00 0.00 0.00 179.25 179.90 1cku h ILE 15 N 0.36 1.25 -0.72 0.00 2.04 -1.21 -0.60 117.51 118.62 1cku h ILE 15 Ca 0.28 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1cku h ILE 15 Cb 0.35 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1cku h ILE 15 CO -0.30 0.31 0.45 0.00 0.00 0.00 0.00 178.15 178.60 1cku h ALA 16 N 0.89 1.43 -0.00 1.87 0.00 -0.90 -2.58 119.26 119.97 1cku h ALA 16 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cku h ALA 16 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1cku h ALA 16 CO 0.01 0.51 -0.13 1.28 0.00 0.00 0.00 179.25 180.91 1cku n LEU 17 N -4.40 0.50 -2.78 0.00 4.77 0.06 -4.94 117.00 110.21 1cku n LEU 17 Ca 0.08 0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 1cku n LEU 17 Cb 0.06 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1cku n LEU 17 CO 0.37 0.09 0.07 0.29 -1.33 0.00 0.00 177.39 176.88 1cku n LYS 18 N -0.98 -5.05 -2.33 3.23 5.02 -0.49 -0.84 118.16 116.73 1cku n LYS 18 Ca 0.13 0.76 -0.40 0.00 -2.02 0.00 0.00 58.31 56.79 1cku n LYS 18 Cb 0.29 -5.39 -0.03 0.00 -0.02 0.00 0.00 35.03 29.88 1cku n LYS 18 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1cku s TYR 19 N -3.15 3.32 -0.03 2.13 5.04 -0.35 -4.29 117.35 120.02 1cku s TYR 19 Ca 0.34 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 1cku s TYR 19 Cb -0.15 -3.43 0.02 0.00 0.35 0.00 0.00 41.96 38.75 1cku s TYR 19 CO 0.42 -1.10 -0.02 1.21 -1.34 0.00 0.00 175.55 174.72 1cku s ASN 20 N -0.79 0.59 0.19 4.32 3.84 -0.17 -4.83 114.94 118.08 1cku s ASN 20 Ca 0.48 -0.06 0.20 0.00 0.21 0.00 0.00 52.86 53.69 1cku s ASN 20 Cb -0.34 -0.30 0.87 0.00 -0.55 0.00 0.00 41.25 40.93 1cku s ASN 20 CO 0.44 -0.08 1.62 0.00 -2.79 0.00 0.00 177.10 176.30 1cku n GLN 21 N 4.07 0.14 -3.84 0.43 10.64 -1.26 -1.54 117.38 126.01 1cku n GLN 21 Ca -0.26 0.40 -0.35 0.00 -1.83 0.00 0.00 57.00 54.95 1cku n GLN 21 Cb 0.51 -1.78 -0.13 0.00 -0.86 0.00 0.00 30.24 27.98 1cku n GLN 21 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1cku s ASP 22 N -3.88 5.10 0.54 2.61 -1.08 -1.26 -2.86 116.67 115.83 1cku s ASP 22 Ca 0.04 -1.79 0.23 0.00 -0.52 0.00 0.00 52.55 50.51 1cku s ASP 22 Cb 0.09 -1.77 1.40 0.00 -1.46 0.00 0.00 42.92 41.17 1cku s ASP 22 CO 0.33 -0.44 2.06 0.00 0.52 0.00 0.00 175.17 177.65 1cku h ALA 23 N 7.99 2.23 0.00 3.66 0.00 -0.75 -0.35 119.26 132.04 1cku h ALA 23 Ca -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1cku h ALA 23 Cb 1.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1cku h ALA 23 CO 0.63 -0.39 -0.13 1.79 0.00 0.00 0.00 179.25 181.14 1cku h THR 24 N 0.00 0.48 -0.03 0.00 1.35 -1.94 -2.35 112.91 110.43 1cku h THR 24 Ca 0.14 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1cku h THR 24 Cb 0.61 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1cku h THR 24 CO -0.00 0.13 -0.03 0.29 -0.25 0.00 0.00 175.52 175.65 1cku n LYS 25 N -3.49 2.18 -1.80 4.72 5.02 -0.16 -4.97 118.16 119.66 1cku n LYS 25 Ca -0.01 -1.77 -0.30 0.00 -2.02 0.00 0.00 58.31 54.22 1cku n LYS 25 Cb 0.29 -1.46 0.18 0.00 -0.02 0.00 0.00 35.03 34.02 1cku n LYS 25 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1cku s SER 26 N -2.04 2.97 -0.04 4.39 1.04 -0.88 -4.97 113.70 114.17 1cku s SER 26 Ca 0.28 0.39 0.04 0.00 0.48 0.00 0.00 55.95 57.14 1cku s SER 26 Cb 0.20 -0.52 0.18 0.00 0.10 0.00 0.00 66.02 65.98 1cku s SER 26 CO 0.32 -2.83 0.89 -0.62 0.98 0.00 0.00 173.24 171.98 1cku n GLU 27 N -3.86 1.76 -0.26 4.02 1.02 -1.26 -4.59 120.64 117.46 1cku n GLU 27 Ca 0.14 -0.70 0.02 0.00 -0.02 0.00 0.00 57.16 56.60 1cku n GLU 27 Cb 0.60 -1.52 0.24 0.00 -0.02 0.00 0.00 31.44 30.74 1cku n GLU 27 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1cku h ARG 28 N 0.95 1.01 0.04 3.49 0.11 -1.92 -0.71 114.38 117.35 1cku h ARG 28 Ca 0.00 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 1cku h ARG 28 Cb 0.66 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1cku h ARG 28 CO 0.08 0.67 -0.02 0.28 0.10 0.00 0.00 179.97 181.08 1cku h VAL 29 N 1.05 1.12 -0.33 0.08 2.07 -1.84 -2.02 116.25 116.37 1cku h VAL 29 Ca 0.33 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1cku h VAL 29 Cb 0.01 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1cku h VAL 29 CO -0.09 0.13 -0.03 0.00 0.02 0.00 0.00 177.57 177.60 1cku h ALA 30 N 0.68 1.34 -0.23 1.67 0.00 -1.81 -2.98 119.26 117.93 1cku h ALA 30 Ca -0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1cku h ALA 30 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1cku h ALA 30 CO 0.01 0.45 -0.43 0.00 0.00 0.00 0.00 179.25 179.28 1cku h ALA 31 N 1.48 0.82 -6.32 0.00 0.00 -0.97 -3.47 119.26 110.80 1cku h ALA 31 Ca 0.10 -0.45 -0.46 0.00 0.00 0.00 0.00 54.91 54.10 1cku h ALA 31 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cku h ALA 31 CO 0.01 0.65 -0.87 0.00 0.00 0.00 0.00 179.25 179.05 1cku n ALA 32 N -2.51 -2.07 -1.77 0.00 0.00 -0.78 -4.91 120.51 108.48 1cku n ALA 32 Ca -0.02 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.79 1cku n ALA 32 Cb 0.53 -1.90 0.01 0.00 0.00 0.00 0.00 19.45 18.09 1cku n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1cku s ARG 33 N -6.28 3.87 0.53 0.00 1.81 -1.26 -4.94 118.95 112.67 1cku s ARG 33 Ca 0.05 2.51 -0.18 0.00 -1.72 0.00 0.00 55.73 56.39 1cku s ARG 33 Cb -0.02 -2.80 -0.06 0.00 -0.45 0.00 0.00 34.95 31.62 1cku s ARG 33 CO 0.86 -0.71 1.03 -1.25 -0.68 0.00 0.00 175.30 174.55 1cku s PRO 34 N -2.30 3.65 0.00 3.54 0.04 -1.26 -4.48 135.00 134.19 1cku s PRO 34 Ca 0.57 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1cku s PRO 34 Cb -0.45 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1cku s PRO 34 CO 0.60 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1cku n GLY 35 N -0.84 1.92 3.49 0.56 0.00 -1.26 -4.64 105.19 104.42 1cku n GLY 35 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1cku n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cku s LEU 36 N 0.00 -0.57 0.13 0.99 2.96 -1.26 -4.93 118.68 116.00 1cku s LEU 36 Ca 0.00 0.61 -0.35 0.00 -0.22 0.00 0.00 54.13 54.17 1cku s LEU 36 Cb 0.00 2.48 -0.16 0.00 0.50 0.00 0.00 46.19 49.01 1cku s LEU 36 CO 0.00 -0.64 1.35 -2.65 -1.32 0.00 0.00 176.35 173.09 1cku n PRO 37 N 0.79 1.42 -0.02 0.98 -0.02 -1.26 -4.83 135.00 132.05 1cku n PRO 37 Ca -0.19 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1cku n PRO 37 Cb 0.58 -2.14 0.57 0.00 -0.02 0.00 0.00 33.50 32.48 1cku n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1cku h PRO 38 N 4.52 0.25 0.00 0.52 0.11 -1.87 -1.01 132.00 134.52 1cku h PRO 38 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1cku h PRO 38 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1cku h PRO 38 CO 0.78 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 1cku n GLU 39 N -4.46 0.49 0.00 1.05 0.00 -1.26 -1.70 120.64 114.77 1cku n GLU 39 Ca 0.08 0.04 0.09 0.00 0.00 0.00 0.00 57.16 57.37 1cku n GLU 39 Cb 0.39 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.28 1cku n GLU 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1cku n GLU 40 N -1.14 1.43 -2.85 3.44 1.02 -0.39 -5.00 120.64 117.15 1cku n GLU 40 Ca 0.13 -0.43 -0.41 0.00 -0.02 0.00 0.00 57.16 56.43 1cku n GLU 40 Cb 0.12 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1cku n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1cku s GLN 41 N -2.36 4.44 0.35 3.49 -0.21 -0.69 -4.94 119.66 119.75 1cku s GLN 41 Ca 0.11 1.15 -0.15 0.00 0.02 0.00 0.00 55.36 56.49 1cku s GLN 41 Cb 0.14 -3.49 0.04 0.00 1.00 0.00 0.00 33.01 30.69 1cku s GLN 41 CO 0.58 -0.12 0.72 -3.38 -2.12 0.00 0.00 175.29 170.97 1cku s HIS 42 N 1.36 0.21 0.43 0.91 -3.43 -1.26 -4.86 115.29 108.64 1cku s HIS 42 Ca 0.44 -0.77 0.13 0.00 -0.80 0.00 0.00 55.06 54.05 1cku s HIS 42 Cb -0.19 0.66 1.01 0.00 -1.43 0.00 0.00 32.58 32.63 1cku s HIS 42 CO 0.20 -1.43 1.99 0.00 -2.00 0.00 0.00 174.74 173.51 1cku h ALA 44 N 1.71 1.83 -0.34 0.00 0.00 -1.73 -1.69 119.26 119.04 1cku h ALA 44 Ca 0.25 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1cku h ALA 44 Cb 0.44 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1cku h ALA 44 CO -0.07 0.04 0.02 0.27 0.00 0.00 0.00 179.25 179.50 1cku n ASN 45 N -4.33 3.49 -4.86 0.00 0.23 -0.89 -5.00 115.26 103.90 1cku n ASN 45 Ca -0.03 -3.29 -0.37 0.00 -0.53 0.00 0.00 54.58 50.36 1cku n ASN 45 Cb 0.11 -0.60 -0.06 0.00 -2.08 0.00 0.00 39.78 37.16 1cku n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cku h GLN 47 N 4.72 0.16 0.00 0.00 5.75 -1.05 -2.67 115.11 122.02 1cku h GLN 47 Ca -0.53 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 1cku h GLN 47 Cb 1.22 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1cku h GLN 47 CO 0.61 0.11 -0.24 1.19 -2.65 0.00 0.00 178.83 177.84 1cku n PHE 48 N -4.45 0.02 -2.27 3.99 3.72 -1.26 -4.88 117.46 112.33 1cku n PHE 48 Ca 0.07 0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 57.07 1cku n PHE 48 Cb 0.39 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1cku n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1cku s MET 49 N -3.00 4.48 -0.38 -1.08 1.75 -1.01 -1.11 119.30 118.95 1cku s MET 49 Ca 0.12 2.04 0.03 0.00 -1.25 0.00 0.00 55.69 56.63 1cku s MET 49 Cb 0.18 -3.13 0.11 0.00 2.84 0.00 0.00 34.83 34.83 1cku s MET 49 CO 0.61 -0.03 0.11 -0.65 -0.65 0.00 0.00 175.02 174.42 1cku s GLN 50 N -1.56 1.48 0.40 4.11 -0.21 0.31 -4.92 119.66 119.28 1cku s GLN 50 Ca 0.47 -1.95 0.28 0.00 0.02 0.00 0.00 55.36 54.19 1cku s GLN 50 Cb -0.36 -3.04 1.04 0.00 1.00 0.00 0.00 33.01 31.65 1cku s GLN 50 CO 0.47 -0.99 1.82 0.00 -2.12 0.00 0.00 175.29 174.47 1cku h ALA 51 N 7.39 1.00 -0.47 6.09 0.00 -1.95 -0.78 119.26 130.53 1cku h ALA 51 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1cku h ALA 51 Cb 0.99 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1cku h ALA 51 CO 0.55 0.00 0.05 -0.40 0.00 0.00 0.00 179.25 179.45 1cku n ASP 52 N -2.72 4.60 -4.75 0.00 5.75 -1.26 -4.89 116.55 113.28 1cku n ASP 52 Ca 0.02 -3.09 -0.38 0.00 -0.01 0.00 0.00 54.79 51.33 1cku n ASP 52 Cb 0.33 -0.64 0.04 0.00 -1.03 0.00 0.00 41.12 39.81 1cku n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cku s ALA 53 N -2.88 2.74 0.38 2.12 0.00 -1.09 -4.95 121.76 118.08 1cku s ALA 53 Ca 0.49 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 1cku s ALA 53 Cb 0.39 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 1cku s ALA 53 CO 0.11 -1.29 1.32 0.00 0.00 0.00 0.00 175.76 175.90 1cku n ALA 54 N -1.15 1.51 -0.99 0.00 0.00 -1.26 -1.90 120.51 116.72 1cku n ALA 54 Ca 0.11 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1cku n ALA 54 Cb 0.46 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1cku n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cku n GLY 55 N 0.72 1.01 3.75 0.00 0.00 -1.26 -4.95 105.19 104.46 1cku n GLY 55 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1cku n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cku s ALA 56 N -3.96 2.43 0.23 4.61 0.00 -0.80 -4.95 121.76 119.31 1cku s ALA 56 Ca 0.00 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1cku s ALA 56 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1cku s ALA 56 CO 0.00 -1.35 0.08 0.25 0.00 0.00 0.00 175.76 174.74 1cku n THR 57 N -1.99 0.00 0.45 0.00 -2.24 0.19 -4.98 114.28 105.71 1cku n THR 57 Ca 0.13 -1.30 0.12 0.00 -2.27 0.00 0.00 64.05 60.74 1cku n THR 57 Cb 0.50 0.45 0.47 0.00 -2.10 0.00 0.00 70.33 69.66 1cku n THR 57 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1cku n ASP 58 N -1.73 0.74 -0.05 3.42 8.00 -1.26 -3.42 116.55 122.25 1cku n ASP 58 Ca -0.04 0.65 -0.17 0.00 0.71 0.00 0.00 54.79 55.95 1cku n ASP 58 Cb 0.33 -0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 1cku n ASP 58 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1cku n GLU 59 N -2.28 0.70 -4.25 -1.24 2.13 -1.26 -4.85 120.64 109.59 1cku n GLU 59 Ca 0.03 0.20 -0.33 0.00 0.66 0.00 0.00 57.16 57.72 1cku n GLU 59 Cb 0.28 -1.64 -0.16 0.00 0.27 0.00 0.00 31.44 30.19 1cku n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1cku s TRP 60 N -2.55 2.77 0.22 4.31 0.52 -1.22 -0.95 118.94 122.05 1cku s TRP 60 Ca -0.21 -1.47 0.01 0.00 0.02 0.00 0.00 56.10 54.45 1cku s TRP 60 Cb 0.07 -1.91 -0.05 0.00 -1.15 0.00 0.00 33.47 30.43 1cku s TRP 60 CO 0.74 -0.72 0.08 0.15 0.02 0.00 0.00 176.95 177.22 1cku s LYS 61 N 1.17 1.28 0.78 4.98 1.02 -0.17 -0.64 119.74 128.15 1cku s LYS 61 Ca 0.02 -1.67 -0.12 0.00 0.02 0.00 0.00 55.97 54.22 1cku s LYS 61 Cb -0.14 -0.13 0.06 0.00 -0.52 0.00 0.00 37.83 37.10 1cku s LYS 61 CO -0.09 -0.28 1.12 0.20 -0.92 0.00 0.00 175.35 175.38 1cku s GLY 62 N -3.24 1.61 -0.08 -3.33 0.00 -0.32 -0.45 107.32 101.52 1cku s GLY 62 Ca 0.34 -0.37 -0.05 0.00 0.00 0.00 0.00 44.72 44.64 1cku s GLY 62 CO 0.11 0.06 0.20 0.00 0.00 0.00 0.00 173.10 173.47 1cku h GLN 64 N 6.66 0.00 -0.00 0.00 4.20 -1.47 -1.31 115.11 123.18 1cku h GLN 64 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1cku h GLN 64 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1cku h GLN 64 CO 0.39 0.03 -0.21 1.28 -0.67 0.00 0.00 178.83 179.66 1cku n LEU 65 N -3.81 0.28 -3.17 1.46 4.77 -1.26 -4.16 117.00 111.11 1cku n LEU 65 Ca -0.03 0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.92 1cku n LEU 65 Cb 0.12 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1cku n LEU 65 CO 0.28 0.06 -0.01 0.49 -1.33 0.00 0.00 177.39 176.89 1cku n PHE 66 N -1.39 2.58 -1.72 -1.77 3.01 -0.49 -5.04 117.46 112.63 1cku n PHE 66 Ca 0.08 -3.95 -0.43 0.00 1.01 0.00 0.00 57.45 54.16 1cku n PHE 66 Cb 0.33 -0.48 -0.01 0.00 -0.01 0.00 0.00 39.48 39.31 1cku n PHE 66 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1cku n PRO 67 N 0.43 2.34 -0.94 -1.08 -0.01 -1.24 -1.59 135.00 132.91 1cku n PRO 67 Ca 0.28 0.82 0.00 0.00 -0.01 0.00 0.00 63.50 64.60 1cku n PRO 67 Cb 0.47 -2.50 0.00 0.00 -0.01 0.00 0.00 33.50 31.46 1cku n PRO 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1cku n GLY 68 N 1.33 1.02 3.58 -1.23 0.00 -1.26 -5.01 105.19 103.62 1cku n GLY 68 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1cku n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cku s LYS 69 N -0.04 1.93 -0.07 1.61 1.02 -0.62 -4.90 119.74 118.66 1cku s LYS 69 Ca 0.00 -2.16 0.03 0.00 0.02 0.00 0.00 55.97 53.86 1cku s LYS 69 Cb 0.00 -1.06 0.01 0.00 -0.52 0.00 0.00 37.83 36.26 1cku s LYS 69 CO 0.00 -0.31 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.46 1cku s LEU 70 N -3.66 1.76 0.57 3.17 1.43 -0.18 -4.32 118.68 117.46 1cku s LEU 70 Ca 0.24 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1cku s LEU 70 Cb 0.05 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 45.34 1cku s LEU 70 CO 0.12 0.07 0.80 0.27 0.23 0.00 0.00 176.35 177.84 1cku s ILE 71 N 0.59 2.58 -0.08 -0.59 -5.25 0.41 -0.69 121.20 118.17 1cku s ILE 71 Ca -0.16 -0.66 -0.19 0.00 -0.99 0.00 0.00 60.65 58.65 1cku s ILE 71 Cb -0.16 -2.92 -0.05 0.00 2.95 0.00 0.00 42.46 42.28 1cku s ILE 71 CO 0.05 0.00 0.51 0.21 -1.79 0.00 0.00 174.94 173.92 1cku s ASN 72 N -4.47 6.78 0.62 4.36 3.84 -1.26 -1.00 114.94 123.81 1cku s ASN 72 Ca 0.59 0.93 0.36 0.00 0.21 0.00 0.00 52.86 54.95 1cku s ASN 72 Cb -0.10 -2.31 2.08 0.00 -0.55 0.00 0.00 41.25 40.38 1cku s ASN 72 CO 0.39 0.06 2.30 -0.37 -2.79 0.00 0.00 177.10 176.69 1cku h VAL 73 N 4.47 0.30 -0.34 -5.21 -1.51 -1.37 0.58 116.25 113.17 1cku h VAL 73 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1cku h VAL 73 Cb 1.19 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1cku h VAL 73 CO 0.72 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.65 1cku n ASN 74 N -3.52 2.21 -3.90 4.19 3.02 -1.26 -2.20 115.26 113.81 1cku n ASN 74 Ca -0.03 -1.90 -0.27 0.00 -0.03 0.00 0.00 54.58 52.35 1cku n ASN 74 Cb 0.09 -0.23 0.18 0.00 -0.61 0.00 0.00 39.78 39.21 1cku n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cku n GLY 75 N 1.20 -1.16 3.54 7.41 0.00 0.20 -0.24 105.19 116.13 1cku n GLY 75 Ca 0.15 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 1cku n GLY 75 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1cku s TRP 76 N -3.63 -0.63 0.21 1.61 -0.00 -0.59 -0.56 118.94 115.35 1cku s TRP 76 Ca 0.70 1.13 -0.05 0.00 -0.00 0.00 0.00 56.10 57.88 1cku s TRP 76 Cb -0.02 0.40 -0.03 0.00 -0.00 0.00 0.00 33.47 33.82 1cku s TRP 76 CO 0.49 -0.55 0.24 0.00 -0.00 0.00 0.00 176.95 177.13 1cku n ALA 78 N -0.29 2.30 1.31 0.00 0.00 -0.02 -1.83 120.51 121.98 1cku n ALA 78 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1cku n ALA 78 Cb 0.64 -1.36 0.36 0.00 0.00 0.00 0.00 19.45 19.10 1cku n ALA 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cku n SER 79 N -1.04 1.81 -4.55 0.00 7.64 -1.26 -4.99 113.62 111.22 1cku n SER 79 Ca 0.16 -1.52 -0.49 0.00 1.01 0.00 0.00 58.87 58.03 1cku n SER 79 Cb 0.09 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 1cku n SER 79 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1cku n TRP 80 N 0.30 0.97 -3.72 1.43 -0.00 -0.76 -5.00 117.44 110.66 1cku n TRP 80 Ca 0.16 0.76 -0.14 0.00 -0.00 0.00 0.00 57.50 58.28 1cku n TRP 80 Cb 0.42 -2.21 -0.08 0.00 -0.00 0.00 0.00 31.31 29.44 1cku n TRP 80 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 1cku s THR 81 N -0.46 0.04 0.20 5.87 -1.32 -1.26 -4.83 115.64 113.89 1cku s THR 81 Ca 0.71 -0.35 -0.30 0.00 -1.21 0.00 0.00 61.69 60.53 1cku s THR 81 Cb -0.87 -0.68 -0.10 0.00 -1.51 0.00 0.00 72.50 69.35 1cku s THR 81 CO 0.55 -0.19 1.44 -0.22 -2.21 0.00 0.00 174.62 173.98 1cku s LEU 82 N -1.17 4.39 0.14 9.08 2.96 -1.26 -0.62 118.68 132.20 1cku s LEU 82 Ca -0.12 2.56 -0.33 0.00 -0.22 0.00 0.00 54.13 56.03 1cku s LEU 82 Cb -0.04 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.92 1cku s LEU 82 CO 0.05 -0.69 1.73 1.17 -1.32 0.00 0.00 176.35 177.29 1cku n LYS 83 N 2.94 2.54 -3.60 1.98 4.81 -0.49 -4.27 118.16 122.08 1cku n LYS 83 Ca 0.09 0.92 -0.11 0.00 -0.87 0.00 0.00 58.31 58.33 1cku n LYS 83 Cb 0.41 -2.76 -0.06 0.00 0.02 0.00 0.00 35.03 32.64 1cku n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cku s ALA 84 N 1.82 -1.91 0.00 3.14 0.00 -1.26 -4.90 121.76 118.66 1cku s ALA 84 Ca 0.80 1.70 0.00 0.00 0.00 0.00 0.00 51.96 54.45 1cku s ALA 84 Cb -0.57 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1cku s ALA 84 CO 0.37 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.25