#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 1.21 -1.48 7.33 0.00 -1.26 -4.97 120.51 121.34 1cku n ALA 2 Ca 0.00 0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 1cku n ALA 2 Cb 0.00 -2.33 0.08 0.00 0.00 0.00 0.00 19.45 17.20 1cku n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1cku s PRO 3 N -3.31 2.36 0.54 0.00 0.04 -1.26 -4.89 135.00 128.48 1cku s PRO 3 Ca 0.82 1.79 0.32 0.00 0.04 0.00 0.00 61.00 63.97 1cku s PRO 3 Cb -0.38 -1.86 1.39 0.00 0.04 0.00 0.00 34.50 33.69 1cku s PRO 3 CO 0.41 -1.67 2.00 0.00 0.04 0.00 0.00 177.00 177.78 1cku h ALA 4 N 0.02 1.03 -0.63 8.56 0.00 -2.01 -1.53 119.26 124.70 1cku h ALA 4 Ca -0.48 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 1cku h ALA 4 Cb 1.30 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1cku h ALA 4 CO 0.51 0.06 0.15 0.27 0.00 0.00 0.00 179.25 180.24 1cku n ASN 5 N -3.19 5.01 -4.65 0.00 6.94 -1.26 -4.97 115.26 113.13 1cku n ASN 5 Ca -0.00 -3.13 -0.41 0.00 -0.02 0.00 0.00 54.58 51.02 1cku n ASN 5 Cb 0.30 -0.71 0.02 0.00 -2.36 0.00 0.00 39.78 37.03 1cku n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cku n ALA 6 N 0.04 0.67 -1.83 -2.53 0.00 -0.58 -1.30 120.51 115.00 1cku n ALA 6 Ca 0.35 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.59 1cku n ALA 6 Cb 1.27 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1cku n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1cku s VAL 7 N -1.26 3.28 0.37 0.00 1.01 0.07 -4.80 120.40 119.07 1cku s VAL 7 Ca 0.64 0.33 -0.26 0.00 0.00 0.00 0.00 61.98 62.69 1cku s VAL 7 Cb -0.52 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1cku s VAL 7 CO 0.56 -0.04 1.07 0.00 0.00 0.00 0.00 175.10 176.70 1cku s ALA 8 N 4.50 3.18 0.31 5.51 0.00 -1.26 -4.94 121.76 129.06 1cku s ALA 8 Ca 0.82 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1cku s ALA 8 Cb -0.38 -3.30 0.52 0.00 0.00 0.00 0.00 23.12 19.97 1cku s ALA 8 CO 0.36 -0.23 1.94 0.00 0.00 0.00 0.00 175.76 177.83 1cku h ALA 9 N 2.88 1.50 -0.36 0.00 0.00 -1.95 -1.86 119.26 119.47 1cku h ALA 9 Ca -0.48 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 1cku h ALA 9 Cb 1.22 -0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 1cku h ALA 9 CO 0.64 0.41 -0.03 -0.25 0.00 0.00 0.00 179.25 180.01 1cku n ASP 10 N -4.46 2.76 -4.74 0.00 8.00 -1.26 -4.49 116.55 112.36 1cku n ASP 10 Ca 0.12 -3.64 -0.41 0.00 0.71 0.00 0.00 54.79 51.57 1cku n ASP 10 Cb 0.13 -0.63 0.01 0.00 -0.02 0.00 0.00 41.12 40.61 1cku n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1cku n ASP 11 N -1.03 3.21 -0.34 -2.24 2.03 -0.70 -4.83 116.55 112.66 1cku n ASP 11 Ca 0.32 1.16 -0.04 0.00 0.52 0.00 0.00 54.79 56.76 1cku n ASP 11 Cb 1.04 -1.57 0.09 0.00 -0.72 0.00 0.00 41.12 39.96 1cku n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cku h ALA 12 N 2.49 1.17 -0.35 -1.67 0.00 -1.94 0.88 119.26 119.84 1cku h ALA 12 Ca -0.49 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1cku h ALA 12 Cb 1.27 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1cku h ALA 12 CO 0.62 0.67 -0.16 1.15 0.00 0.00 0.00 179.25 181.53 1cku h THR 13 N 1.28 1.29 -0.78 0.00 2.02 -1.96 -1.81 112.91 112.93 1cku h THR 13 Ca 0.32 -1.28 0.05 0.00 0.77 0.00 0.00 66.41 66.27 1cku h THR 13 Cb 0.02 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1cku h THR 13 CO -0.05 0.42 0.48 0.00 0.37 0.00 0.00 175.52 176.73 1cku h ALA 14 N 0.79 1.05 0.08 6.16 0.00 -1.67 0.11 119.26 125.78 1cku h ALA 14 Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1cku h ALA 14 Cb 0.70 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1cku h ALA 14 CO 0.05 0.23 -0.13 0.82 0.00 0.00 0.00 179.25 180.22 1cku h ILE 15 N 0.90 0.69 -0.50 0.00 2.04 -0.71 -1.00 117.51 118.92 1cku h ILE 15 Ca 0.33 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.14 1cku h ILE 15 Cb 0.12 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1cku h ILE 15 CO -0.15 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.08 1cku h ALA 16 N 0.62 1.21 -0.03 1.87 0.00 -0.70 -2.44 119.26 119.80 1cku h ALA 16 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1cku h ALA 16 Cb 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cku h ALA 16 CO -0.07 0.54 0.00 -0.11 0.00 0.00 0.00 179.25 179.60 1cku n LEU 17 N -4.26 1.23 -2.01 0.00 7.94 0.32 -4.93 117.00 115.29 1cku n LEU 17 Ca 0.03 -0.42 -0.17 0.00 -1.11 0.00 0.00 56.01 54.34 1cku n LEU 17 Cb 0.24 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1cku n LEU 17 CO 0.40 0.21 -0.16 0.29 -1.11 0.00 0.00 177.39 177.02 1cku n LYS 18 N -0.03 -1.93 -2.20 1.96 5.02 -0.58 -0.90 118.16 119.50 1cku n LYS 18 Ca 0.19 0.78 -0.41 0.00 -2.02 0.00 0.00 58.31 56.86 1cku n LYS 18 Cb 0.31 -5.21 -0.03 0.00 -0.02 0.00 0.00 35.03 30.08 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 -2.88 3.20 -0.03 2.13 5.04 -0.49 -4.26 117.35 120.07 1cku s TYR 19 Ca 0.06 1.41 -0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1cku s TYR 19 Cb -0.03 -3.59 0.03 0.00 0.35 0.00 0.00 41.96 38.72 1cku s TYR 19 CO 0.07 -1.65 0.02 1.21 -1.34 0.00 0.00 175.55 173.86 1cku s ASN 20 N -0.34 0.43 0.13 4.32 3.84 0.08 -4.80 114.94 118.61 1cku s ASN 20 Ca 0.50 0.01 0.16 0.00 0.21 0.00 0.00 52.86 53.74 1cku s ASN 20 Cb -0.38 -0.17 0.73 0.00 -0.55 0.00 0.00 41.25 40.88 1cku s ASN 20 CO 0.47 -0.13 1.50 0.00 -2.79 0.00 0.00 177.10 176.15 1cku n GLN 21 N 4.33 0.09 -4.00 0.43 10.64 -1.26 -1.46 117.38 126.15 1cku n GLN 21 Ca -0.24 0.40 -0.32 0.00 -1.83 0.00 0.00 57.00 55.02 1cku n GLN 21 Cb 0.50 -1.69 -0.14 0.00 -0.86 0.00 0.00 30.24 28.04 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 -3.58 4.74 0.55 2.61 -1.08 -1.26 -2.72 116.67 115.93 1cku s ASP 22 Ca 0.04 -1.81 0.25 0.00 -0.52 0.00 0.00 52.55 50.50 1cku s ASP 22 Cb 0.07 -1.64 1.46 0.00 -1.46 0.00 0.00 42.92 41.35 1cku s ASP 22 CO 0.26 -0.33 2.05 0.00 0.52 0.00 0.00 175.17 177.67 1cku h ALA 23 N 7.75 2.17 0.00 3.66 0.00 -1.01 0.14 119.26 131.97 1cku h ALA 23 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cku h ALA 23 Cb 1.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1cku h ALA 23 CO 0.52 -0.42 0.00 1.79 0.00 0.00 0.00 179.25 181.14 1cku h THR 24 N 0.00 0.00 -0.21 0.00 1.35 -1.93 -2.22 112.91 109.90 1cku h THR 24 Ca 0.15 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1cku h THR 24 Cb 0.66 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1cku h THR 24 CO -0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1cku n LYS 25 N -2.30 2.08 -2.16 4.72 5.02 0.03 -5.02 118.16 120.54 1cku n LYS 25 Ca 0.02 -1.94 -0.28 0.00 -2.02 0.00 0.00 58.31 54.10 1cku n LYS 25 Cb 0.24 -1.41 0.16 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.45 3.52 -0.05 4.39 1.04 -0.84 -4.98 113.70 115.33 1cku s SER 26 Ca 0.29 0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.83 1cku s SER 26 Cb 0.18 -0.19 0.28 0.00 0.10 0.00 0.00 66.02 66.39 1cku s SER 26 CO 0.26 -2.45 1.06 -0.62 0.98 0.00 0.00 173.24 172.46 1cku n GLU 27 N -3.46 2.13 -0.05 4.02 1.02 -1.26 -4.60 120.64 118.45 1cku n GLU 27 Ca 0.15 -1.10 0.04 0.00 -0.02 0.00 0.00 57.16 56.24 1cku n GLU 27 Cb 0.60 -1.56 0.40 0.00 -0.02 0.00 0.00 31.44 30.85 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 1.53 0.61 -0.15 3.49 0.11 -1.94 -0.63 114.38 117.39 1cku h ARG 28 Ca 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 1cku h ARG 28 Cb 0.78 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 1cku h ARG 28 CO 0.11 0.40 0.02 0.28 0.10 0.00 0.00 179.97 180.88 1cku h VAL 29 N 0.62 1.23 -0.70 0.08 2.07 -1.90 -2.14 116.25 115.51 1cku h VAL 29 Ca 0.18 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1cku h VAL 29 Cb -0.02 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1cku h VAL 29 CO -0.04 0.22 0.42 0.00 0.02 0.00 0.00 177.57 178.19 1cku h ALA 30 N 0.80 0.93 -0.22 1.67 0.00 -1.72 -2.99 119.26 117.73 1cku h ALA 30 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1cku h ALA 30 Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1cku h ALA 30 CO 0.00 0.15 -0.38 0.00 0.00 0.00 0.00 179.25 179.02 1cku h ALA 31 N 1.33 0.93 -6.32 0.00 0.00 -1.05 -3.47 119.26 110.68 1cku h ALA 31 Ca 0.30 -0.42 -0.47 0.00 0.00 0.00 0.00 54.91 54.31 1cku h ALA 31 Cb 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1cku h ALA 31 CO -0.14 0.62 -0.80 0.00 0.00 0.00 0.00 179.25 178.93 1cku n ALA 32 N -2.49 -1.53 -1.77 0.00 0.00 -0.81 -4.90 120.51 109.00 1cku n ALA 32 Ca -0.01 0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 1cku n ALA 32 Cb 0.49 -3.47 -0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 -6.50 3.96 0.68 0.00 1.81 -1.26 -4.96 118.95 112.68 1cku s ARG 33 Ca 0.45 2.23 -0.11 0.00 -1.72 0.00 0.00 55.73 56.58 1cku s ARG 33 Cb -0.23 -2.77 -0.00 0.00 -0.45 0.00 0.00 34.95 31.50 1cku s ARG 33 CO 0.84 -0.53 1.06 -1.25 -0.68 0.00 0.00 175.30 174.74 1cku s PRO 34 N -2.24 3.05 0.00 3.54 0.04 -1.26 -4.47 135.00 133.66 1cku s PRO 34 Ca 0.57 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1cku s PRO 34 Cb -0.40 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1cku s PRO 34 CO 0.51 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1cku n GLY 35 N -2.11 0.93 3.24 0.56 0.00 -1.26 -4.66 105.19 101.89 1cku n GLY 35 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1cku n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cku s LEU 36 N 0.00 1.02 0.50 0.99 1.43 -1.26 -5.04 118.68 116.32 1cku s LEU 36 Ca 0.00 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 52.58 1cku s LEU 36 Cb 0.00 1.27 -0.08 0.00 0.03 0.00 0.00 46.19 47.41 1cku s LEU 36 CO 0.00 -0.64 1.00 -2.65 0.23 0.00 0.00 176.35 174.29 1cku n PRO 37 N 0.43 1.20 -0.29 1.29 -0.02 -1.26 -4.87 135.00 131.48 1cku n PRO 37 Ca -0.18 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 61.89 1cku n PRO 37 Cb 0.60 -2.12 0.41 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.11 0.59 0.00 0.52 0.11 -1.88 -0.82 132.00 131.63 1cku h PRO 38 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1cku h PRO 38 Cb 1.35 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1cku h PRO 38 CO 0.54 0.39 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 1cku n GLU 39 N -4.60 0.06 -0.04 1.05 4.71 -1.26 -1.22 120.64 119.34 1cku n GLU 39 Ca 0.20 0.45 0.09 0.00 -0.01 0.00 0.00 57.16 57.89 1cku n GLU 39 Cb 0.59 -1.67 0.10 0.00 -1.01 0.00 0.00 31.44 29.45 1cku n GLU 39 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1cku n GLU 40 N -1.80 1.64 -3.29 3.49 1.02 -0.31 -4.97 120.64 116.41 1cku n GLU 40 Ca 0.01 -1.67 -0.38 0.00 -0.02 0.00 0.00 57.16 55.10 1cku n GLU 40 Cb 0.09 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.41 4.34 0.22 3.49 -0.21 -0.36 -4.98 119.66 120.76 1cku s GLN 41 Ca 0.23 0.49 -0.23 0.00 0.02 0.00 0.00 55.36 55.88 1cku s GLN 41 Cb 0.15 -3.43 0.04 0.00 1.00 0.00 0.00 33.01 30.77 1cku s GLN 41 CO 0.23 0.16 0.77 -3.38 -2.12 0.00 0.00 175.29 170.95 1cku s HIS 42 N 0.60 -0.22 0.40 0.91 -3.43 -1.26 -4.89 115.29 107.39 1cku s HIS 42 Ca 0.27 -0.15 0.10 0.00 -0.80 0.00 0.00 55.06 54.47 1cku s HIS 42 Cb -0.15 0.67 0.89 0.00 -1.43 0.00 0.00 32.58 32.55 1cku s HIS 42 CO 0.11 -1.06 1.98 0.00 -2.00 0.00 0.00 174.74 173.77 1cku h ALA 44 N 1.66 2.21 -0.41 0.00 0.00 -1.63 -1.09 119.26 120.00 1cku h ALA 44 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1cku h ALA 44 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1cku h ALA 44 CO -0.09 -0.37 0.00 0.27 0.00 0.00 0.00 179.25 179.06 1cku n ASN 45 N -4.44 4.54 -4.84 0.00 0.23 -1.07 -5.00 115.26 104.67 1cku n ASN 45 Ca 0.11 -2.87 -0.34 0.00 -0.53 0.00 0.00 54.58 50.95 1cku n ASN 45 Cb 0.50 -0.57 -0.06 0.00 -2.08 0.00 0.00 39.78 37.57 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 3.08 0.46 -0.00 0.00 5.75 -0.57 -2.94 115.11 120.90 1cku h GLN 47 Ca -0.48 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1cku h GLN 47 Cb 1.18 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.63 1cku h GLN 47 CO 0.66 0.31 -0.53 1.19 -2.65 0.00 0.00 178.83 177.81 1cku n PHE 48 N -4.48 0.00 -2.08 3.99 3.72 -1.26 -4.89 117.46 112.45 1cku n PHE 48 Ca 0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 1cku n PHE 48 Cb 0.41 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.74 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 -2.90 4.32 -0.34 -1.08 1.75 -1.11 -0.89 119.30 119.06 1cku s MET 49 Ca 0.13 2.23 0.03 0.00 -1.25 0.00 0.00 55.69 56.84 1cku s MET 49 Cb 0.18 -3.10 0.10 0.00 2.84 0.00 0.00 34.83 34.84 1cku s MET 49 CO 0.69 -0.29 0.04 -0.65 -0.65 0.00 0.00 175.02 174.16 1cku s GLN 50 N -1.06 1.60 0.47 4.11 -0.21 0.12 -4.89 119.66 119.79 1cku s GLN 50 Ca 0.54 -1.82 0.25 0.00 0.02 0.00 0.00 55.36 54.35 1cku s GLN 50 Cb -0.40 -3.20 1.12 0.00 1.00 0.00 0.00 33.01 31.52 1cku s GLN 50 CO 0.48 -0.91 1.92 0.00 -2.12 0.00 0.00 175.29 174.66 1cku h ALA 51 N 7.66 1.14 -0.56 6.09 0.00 -1.94 -0.72 119.26 130.93 1cku h ALA 51 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1cku h ALA 51 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1cku h ALA 51 CO 0.53 0.25 0.00 -3.47 0.00 0.00 0.00 179.25 176.56 1cku n ASP 52 N -3.53 4.08 -4.74 0.00 2.03 -1.26 -4.84 116.55 108.29 1cku n ASP 52 Ca -0.01 -2.36 -0.39 0.00 0.52 0.00 0.00 54.79 52.55 1cku n ASP 52 Cb 0.36 -0.53 0.03 0.00 -0.72 0.00 0.00 41.12 40.26 1cku n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cku n ALA 53 N 0.95 1.69 -1.70 -1.67 0.00 -1.16 -4.91 120.51 113.71 1cku n ALA 53 Ca 0.22 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 1cku n ALA 53 Cb 0.76 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 1cku n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cku n ALA 54 N -0.71 1.47 -0.99 0.00 0.00 -1.26 -2.03 120.51 117.00 1cku n ALA 54 Ca 0.08 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1cku n ALA 54 Cb 0.43 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 1.73 0.36 3.76 0.00 0.00 -1.26 -4.97 105.19 104.81 1cku n GLY 55 Ca 0.09 0.00 -0.39 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 -1.76 3.02 0.27 4.61 0.00 -0.86 -4.95 121.76 122.09 1cku s ALA 56 Ca 0.00 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.41 1cku s ALA 56 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1cku s ALA 56 CO 0.00 -1.32 0.08 0.25 0.00 0.00 0.00 175.76 174.77 1cku n THR 57 N -0.64 0.00 0.25 0.00 -2.24 0.12 -4.98 114.28 106.79 1cku n THR 57 Ca 0.08 -1.54 0.10 0.00 -2.27 0.00 0.00 64.05 60.42 1cku n THR 57 Cb 0.43 0.52 0.67 0.00 -2.10 0.00 0.00 70.33 69.85 1cku n THR 57 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1cku h ASP 58 N 1.02 0.00 0.28 3.42 3.32 -2.01 -3.12 116.42 119.32 1cku h ASP 58 Ca -0.22 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.54 1cku h ASP 58 Cb 0.79 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 1cku h ASP 58 CO 0.34 0.13 -1.98 1.21 -1.72 0.00 0.00 179.24 177.22 1cku n GLU 59 N -3.90 0.66 -4.29 3.56 2.13 -1.26 -4.84 120.64 112.69 1cku n GLU 59 Ca -0.02 0.13 -0.31 0.00 0.66 0.00 0.00 57.16 57.62 1cku n GLU 59 Cb 0.22 -1.66 -0.16 0.00 0.27 0.00 0.00 31.44 30.10 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 -2.64 2.33 0.21 4.31 0.52 -1.18 -0.91 118.94 121.58 1cku s TRP 60 Ca -0.07 -1.24 0.02 0.00 0.02 0.00 0.00 56.10 54.83 1cku s TRP 60 Cb 0.07 -1.65 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 1cku s TRP 60 CO 0.83 -0.63 0.02 0.15 0.02 0.00 0.00 176.95 177.34 1cku s LYS 61 N 1.18 1.24 0.88 4.98 -0.14 -0.37 -0.70 119.74 126.80 1cku s LYS 61 Ca -0.01 -1.63 -0.12 0.00 -1.36 0.00 0.00 55.97 52.86 1cku s LYS 61 Cb -0.14 -0.36 0.12 0.00 -1.68 0.00 0.00 37.83 35.77 1cku s LYS 61 CO -0.07 -0.16 1.15 0.20 -0.76 0.00 0.00 175.35 175.71 1cku s GLY 62 N -3.24 1.58 -0.05 -3.33 0.00 -0.29 -0.21 107.32 101.78 1cku s GLY 62 Ca 0.28 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 1cku s GLY 62 CO 0.08 -0.02 0.12 0.00 0.00 0.00 0.00 173.10 173.28 1cku h GLN 64 N 7.04 0.27 -0.00 0.00 4.15 -1.36 -2.03 115.11 123.19 1cku h GLN 64 Ca -0.41 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1cku h GLN 64 Cb 1.15 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1cku h GLN 64 CO 0.44 0.18 -0.20 1.28 -1.93 0.00 0.00 178.83 178.59 1cku n LEU 65 N -4.44 0.44 -3.43 -2.39 4.77 -1.26 -4.24 117.00 106.45 1cku n LEU 65 Ca 0.18 0.08 -0.26 0.00 -0.03 0.00 0.00 56.01 55.97 1cku n LEU 65 Cb 0.74 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 1cku n LEU 65 CO 0.33 0.09 -0.07 0.49 -1.33 0.00 0.00 177.39 176.91 1cku n PHE 66 N -1.17 2.20 -1.66 -1.77 3.72 -0.76 -5.10 117.46 112.91 1cku n PHE 66 Ca 0.10 -3.96 -0.45 0.00 -0.05 0.00 0.00 57.45 53.09 1cku n PHE 66 Cb 0.31 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 1cku n PHE 66 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1cku n PRO 67 N 1.31 1.96 -0.92 -1.08 -0.02 -1.26 -2.03 135.00 132.97 1cku n PRO 67 Ca 0.26 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1cku n PRO 67 Cb 0.44 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1cku n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cku n GLY 68 N 2.30 0.79 3.87 -1.23 0.00 -1.26 -4.99 105.19 104.67 1cku n GLY 68 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.20 2.25 -0.05 1.61 1.02 -0.86 -4.95 119.74 118.57 1cku s LYS 69 Ca 0.00 -2.05 0.04 0.00 0.02 0.00 0.00 55.97 53.97 1cku s LYS 69 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1cku s LYS 69 CO 0.00 -0.54 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.21 1cku s LEU 70 N -4.20 1.86 0.43 3.17 1.43 -0.42 -4.34 118.68 116.61 1cku s LEU 70 Ca 0.31 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1cku s LEU 70 Cb -0.01 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1cku s LEU 70 CO 0.19 0.12 0.56 0.27 0.23 0.00 0.00 176.35 177.72 1cku s ILE 71 N 0.22 2.90 -0.13 -0.59 -5.25 0.71 -0.75 121.20 118.31 1cku s ILE 71 Ca -0.08 -1.04 -0.16 0.00 -0.99 0.00 0.00 60.65 58.38 1cku s ILE 71 Cb -0.13 -2.95 -0.04 0.00 2.95 0.00 0.00 42.46 42.29 1cku s ILE 71 CO 0.03 0.00 0.40 0.21 -1.79 0.00 0.00 174.94 173.79 1cku s ASN 72 N -4.34 6.59 0.61 4.36 3.84 -1.26 -1.24 114.94 123.49 1cku s ASN 72 Ca 0.54 0.70 0.30 0.00 0.21 0.00 0.00 52.86 54.62 1cku s ASN 72 Cb -0.09 -2.24 1.69 0.00 -0.55 0.00 0.00 41.25 40.06 1cku s ASN 72 CO 0.33 0.06 2.06 -0.37 -2.79 0.00 0.00 177.10 176.39 1cku h VAL 73 N 4.64 0.34 -0.38 -5.21 -1.51 -1.35 0.06 116.25 112.85 1cku h VAL 73 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1cku h VAL 73 Cb 1.18 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1cku h VAL 73 CO 0.75 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.68 1cku n ASN 74 N -3.59 2.26 -2.94 4.19 5.03 -1.26 -1.75 115.26 117.21 1cku n ASN 74 Ca 0.02 -1.94 -0.12 0.00 0.87 0.00 0.00 54.58 53.40 1cku n ASN 74 Cb 0.37 -0.25 0.08 0.00 -1.02 0.00 0.00 39.78 38.96 1cku n ASN 74 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cku n GLY 75 N 1.20 -0.73 3.56 7.41 0.00 0.01 -0.64 105.19 115.99 1cku n GLY 75 Ca 0.15 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.01 -0.53 0.27 1.61 -0.00 -0.53 -0.73 118.94 117.02 1cku s TRP 76 Ca 0.33 0.95 -0.03 0.00 -0.00 0.00 0.00 56.10 57.35 1cku s TRP 76 Cb -0.01 0.42 -0.02 0.00 -0.00 0.00 0.00 33.47 33.86 1cku s TRP 76 CO 0.23 -0.46 0.32 0.00 -0.00 0.00 0.00 176.95 177.04 1cku n ALA 78 N -0.42 2.14 -0.13 0.00 0.00 -0.08 -1.38 120.51 120.63 1cku n ALA 78 Ca 0.02 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1cku n ALA 78 Cb 0.63 -1.30 0.29 0.00 0.00 0.00 0.00 19.45 19.07 1cku n ALA 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cku n SER 79 N -1.08 3.76 -4.61 0.00 2.88 -1.26 -5.01 113.62 108.29 1cku n SER 79 Ca 0.13 -2.00 -0.49 0.00 -1.33 0.00 0.00 58.87 55.18 1cku n SER 79 Cb 0.09 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.08 1cku n SER 79 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1cku n TRP 80 N 1.58 1.72 -3.70 0.66 -0.00 -0.48 -4.96 117.44 112.26 1cku n TRP 80 Ca 0.23 0.54 -0.13 0.00 -0.00 0.00 0.00 57.50 58.13 1cku n TRP 80 Cb 0.61 -2.39 -0.13 0.00 -0.00 0.00 0.00 31.31 29.40 1cku n TRP 80 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1cku s THR 81 N 0.44 -0.21 0.21 5.87 2.01 -1.26 -4.91 115.64 117.80 1cku s THR 81 Ca 0.80 0.22 -0.32 0.00 0.31 0.00 0.00 61.69 62.70 1cku s THR 81 Cb -0.85 -0.39 -0.12 0.00 0.01 0.00 0.00 72.50 71.16 1cku s THR 81 CO 0.46 0.09 1.68 -0.22 -0.69 0.00 0.00 174.62 175.94 1cku s LEU 82 N 1.80 4.37 -0.05 4.42 2.96 -1.26 0.10 118.68 131.00 1cku s LEU 82 Ca -0.04 2.84 -0.30 0.00 -0.22 0.00 0.00 54.13 56.41 1cku s LEU 82 Cb -0.11 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1cku s LEU 82 CO -0.08 -0.94 1.61 -0.75 -1.32 0.00 0.00 176.35 174.87 1cku s LYS 83 N 0.92 4.19 0.33 1.98 2.20 -0.21 -4.50 119.74 124.65 1cku s LYS 83 Ca 0.72 2.15 0.06 0.00 -0.36 0.00 0.00 55.97 58.55 1cku s LYS 83 Cb -0.49 -3.93 -0.01 0.00 -1.51 0.00 0.00 37.83 31.89 1cku s LYS 83 CO 0.34 -0.82 0.47 0.00 -0.36 0.00 0.00 175.35 174.98 1cku s ALA 84 N 3.85 4.21 -0.55 3.13 0.00 -1.26 -4.92 121.76 126.22 1cku s ALA 84 Ca 0.72 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1cku s ALA 84 Cb -0.33 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1cku s ALA 84 CO 0.28 -0.02 0.14 0.41 0.00 0.00 0.00 175.76 176.57