#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuk s SER 2 N 0.00 4.05 0.05 1.61 0.15 -1.26 -5.09 113.70 113.21 2yuk s SER 2 Ca 0.00 -2.59 0.04 0.00 0.70 0.00 0.00 55.95 54.10 2yuk s SER 2 Cb 0.00 -1.29 -0.02 0.00 -1.71 0.00 0.00 66.02 63.00 2yuk s SER 2 CO 0.00 -0.28 -0.13 -0.55 1.20 0.00 0.00 173.24 173.48 2yuk s SER 3 N 0.34 1.52 0.00 5.45 0.15 -1.26 -5.12 113.70 114.79 2yuk s SER 3 Ca 0.16 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2yuk s SER 3 Cb -0.24 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 2yuk s SER 3 CO -0.03 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2yuk n GLY 4 N 1.59 -0.25 0.49 9.45 0.00 -1.26 -5.01 105.19 110.20 2yuk n GLY 4 Ca -0.20 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 2yuk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuk n SER 5 N 1.29 1.33 -3.30 1.61 2.88 -1.26 -5.02 113.62 111.15 2yuk n SER 5 Ca 0.00 0.12 -0.02 0.00 -1.33 0.00 0.00 58.87 57.63 2yuk n SER 5 Cb 0.00 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.07 2yuk n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuk s SER 6 N -5.98 -0.65 0.35 -3.46 0.15 -1.26 -5.03 113.70 97.81 2yuk s SER 6 Ca -0.18 0.68 0.16 0.00 0.70 0.00 0.00 55.95 57.32 2yuk s SER 6 Cb 0.06 1.71 1.19 0.00 -1.71 0.00 0.00 66.02 67.27 2yuk s SER 6 CO 0.24 -0.27 1.60 1.23 1.20 0.00 0.00 173.24 177.24 2yuk h GLY 7 N 8.08 2.07 -1.19 9.45 0.00 -1.97 -3.40 103.07 116.12 2yuk h GLY 7 Ca -0.21 -0.13 -0.49 0.00 0.00 0.00 0.00 47.33 46.50 2yuk h GLY 7 CO 0.24 -0.68 0.16 -1.31 0.00 0.00 0.00 176.54 174.95 2yuk s ASN 8 N -4.70 2.40 -0.10 0.19 0.01 -1.26 -5.04 114.94 106.44 2yuk s ASN 8 Ca -0.10 1.83 0.03 0.00 -0.71 0.00 0.00 52.86 53.91 2yuk s ASN 8 Cb 0.32 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.58 2yuk s ASN 8 CO 0.78 -3.37 -0.18 0.00 -1.51 0.00 0.00 177.10 172.82 2yuk s ALA 9 N -2.64 1.82 1.10 0.60 0.00 -1.26 -5.09 121.76 116.28 2yuk s ALA 9 Ca 0.67 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 2yuk s ALA 9 Cb -0.22 -0.80 0.11 0.00 0.00 0.00 0.00 23.12 22.21 2yuk s ALA 9 CO 0.60 0.06 0.18 1.04 0.00 0.00 0.00 175.76 177.64 2yuk n GLN 10 N 3.93 -1.45 -0.53 0.00 3.00 -1.26 -4.84 117.38 116.22 2yuk n GLN 10 Ca -0.20 -0.40 -0.09 0.00 -0.01 0.00 0.00 57.00 56.30 2yuk n GLN 10 Cb 0.52 -1.78 0.09 0.00 0.00 0.00 0.00 30.24 29.07 2yuk n GLN 10 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2yuk n ARG 11 N -2.30 1.66 -1.81 -1.09 -4.01 -1.26 -4.93 116.66 102.91 2yuk n ARG 11 Ca 0.02 -1.34 -0.42 0.00 -1.04 0.00 0.00 57.85 55.07 2yuk n ARG 11 Cb 0.60 -1.55 -0.03 0.00 -3.04 0.00 0.00 32.46 28.44 2yuk n ARG 11 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2yuk s SER 12 N -0.05 6.53 -0.20 2.89 0.15 -1.26 -4.89 113.70 116.88 2yuk s SER 12 Ca 0.25 2.54 -0.04 0.00 0.70 0.00 0.00 55.95 59.40 2yuk s SER 12 Cb 0.21 -2.54 -0.21 0.00 -1.71 0.00 0.00 66.02 61.77 2yuk s SER 12 CO 0.05 -0.98 0.04 0.35 1.20 0.00 0.00 173.24 173.90 2yuk n THR 13 N 5.25 1.62 -0.40 6.45 -2.24 -1.26 -4.12 114.28 119.58 2yuk n THR 13 Ca 0.18 -0.57 0.37 0.00 -2.27 0.00 0.00 64.05 61.76 2yuk n THR 13 Cb 0.41 -1.61 0.57 0.00 -2.10 0.00 0.00 70.33 67.60 2yuk n THR 13 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yuk n LEU 14 N -3.47 0.00 -0.07 3.22 4.32 -1.26 0.13 117.00 119.87 2yuk n LEU 14 Ca -0.40 0.84 -0.09 0.00 -0.02 0.00 0.00 56.01 56.33 2yuk n LEU 14 Cb 0.99 -0.34 -0.06 0.00 -1.62 0.00 0.00 43.42 42.39 2yuk n LEU 14 CO 0.32 -0.84 -0.11 0.50 -1.22 0.00 0.00 177.39 176.04 2yuk h LYS 15 N 0.00 0.00 -0.96 3.23 1.63 -1.99 -3.37 116.57 115.11 2yuk h LYS 15 Ca 0.65 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.62 2yuk h LYS 15 Cb 3.22 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 34.69 2yuk h LYS 15 CO -0.01 0.46 -0.33 0.91 -3.45 0.00 0.00 179.45 177.03 2yuk n TRP 16 N -4.62 0.12 -0.34 1.91 7.02 0.12 0.15 117.44 121.79 2yuk n TRP 16 Ca -0.11 1.18 0.23 0.00 -1.02 0.00 0.00 57.50 57.78 2yuk n TRP 16 Cb 0.33 -0.92 0.47 0.00 -2.42 0.00 0.00 31.31 28.78 2yuk n TRP 16 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2yuk h GLU 17 N 0.00 0.36 0.45 -0.99 4.81 -1.62 0.32 114.58 117.91 2yuk h GLU 17 Ca 0.37 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 2yuk h GLU 17 Cb 0.61 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2yuk h GLU 17 CO -0.96 0.24 -0.22 0.87 -0.73 0.00 0.00 179.01 178.21 2yuk h LYS 18 N 0.37 -0.59 -0.54 1.92 1.79 0.12 -3.15 116.57 116.49 2yuk h LYS 18 Ca 0.71 0.04 0.16 0.00 -2.18 0.00 0.00 60.65 59.37 2yuk h LYS 18 Cb 1.63 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 32.39 2yuk h LYS 18 CO -0.53 -0.32 0.42 0.93 -1.08 0.00 0.00 179.45 178.87 2yuk h GLU 19 N -1.09 0.00 -0.02 3.15 4.39 -0.65 0.22 114.58 120.58 2yuk h GLU 19 Ca -0.06 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.64 2yuk h GLU 19 Cb 0.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2yuk h GLU 19 CO 0.10 0.00 0.04 0.93 -1.16 0.00 0.00 179.01 178.92 2yuk h GLU 20 N 0.00 0.00 0.00 2.33 4.39 -0.37 -0.17 114.58 120.76 2yuk h GLU 20 Ca 0.25 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.76 2yuk h GLU 20 Cb 1.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 2yuk h GLU 20 CO -0.00 0.00 -1.11 0.00 -1.16 0.00 0.00 179.01 176.73 2yuk h ALA 21 N 1.95 0.57 0.00 3.43 0.00 -0.63 -3.25 119.26 121.32 2yuk h ALA 21 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2yuk h ALA 21 Cb 0.08 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2yuk h ALA 21 CO -0.00 1.12 0.00 -0.07 0.00 0.00 0.00 179.25 180.30 2yuk h LEU 22 N 0.00 0.00 0.00 0.00 3.38 -1.06 -3.48 115.31 114.15 2yuk h LEU 22 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2yuk h LEU 22 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2yuk h LEU 22 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2yuk n GLY 23 N 0.65 3.18 0.00 0.83 0.00 -1.07 -0.59 105.19 108.19 2yuk n GLY 23 Ca 0.04 0.27 0.02 0.00 0.00 0.00 0.00 46.02 46.34 2yuk n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yuk n GLU 24 N 9.44 0.01 0.00 1.61 1.02 -1.26 -0.39 120.64 131.06 2yuk n GLU 24 Ca 0.00 0.42 0.11 0.00 -0.02 0.00 0.00 57.16 57.67 2yuk n GLU 24 Cb 0.00 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.04 2yuk n GLU 24 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2yuk n MET 25 N -1.48 0.57 -1.44 3.49 2.81 0.24 -4.98 117.12 116.34 2yuk n MET 25 Ca 0.01 -0.42 -0.56 0.00 -1.81 0.00 0.00 57.70 54.91 2yuk n MET 25 Cb 0.04 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 30.98 2yuk n MET 25 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2yuk n ALA 26 N -0.84 -2.50 0.96 3.04 0.00 0.48 -4.78 120.51 116.86 2yuk n ALA 26 Ca 0.08 0.50 0.02 0.00 0.00 0.00 0.00 53.44 54.05 2yuk n ALA 26 Cb 0.38 -1.64 0.09 0.00 0.00 0.00 0.00 19.45 18.27 2yuk n ALA 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yuk n THR 27 N 2.25 0.47 -4.46 0.00 -2.24 -1.26 -4.52 114.28 104.52 2yuk n THR 27 Ca 0.22 -0.30 -0.24 0.00 -2.27 0.00 0.00 64.05 61.47 2yuk n THR 27 Cb 0.02 -0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 2yuk n THR 27 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2yuk s VAL 28 N -1.59 2.40 -0.04 2.28 1.01 -1.26 -4.46 120.40 118.74 2yuk s VAL 28 Ca 0.13 -2.38 -0.15 0.00 0.00 0.00 0.00 61.98 59.57 2yuk s VAL 28 Cb 0.08 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 2yuk s VAL 28 CO 0.06 -0.41 0.63 0.00 0.00 0.00 0.00 175.10 175.38 2yuk h ALA 29 N 2.29 -0.46 0.07 5.51 0.00 -1.89 -2.99 119.26 121.78 2yuk h ALA 29 Ca -0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2yuk h ALA 29 Cb 1.26 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2yuk h ALA 29 CO 0.61 -0.45 -0.03 -1.00 0.00 0.00 0.00 179.25 178.38 2yuk h PRO 30 N -1.09 -0.09 -0.06 0.00 0.13 -1.94 -1.92 132.00 127.03 2yuk h PRO 30 Ca -0.05 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2yuk h PRO 30 Cb 0.41 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2yuk h PRO 30 CO 0.08 0.37 0.26 0.28 -0.23 0.00 0.00 178.00 178.76 2yuk h VAL 31 N -0.58 0.10 0.01 1.56 2.07 -1.92 -1.82 116.25 115.66 2yuk h VAL 31 Ca -0.01 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.32 2yuk h VAL 31 Cb 0.49 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2yuk h VAL 31 CO 0.01 0.00 -1.05 0.25 0.02 0.00 0.00 177.57 176.80 2yuk h LEU 32 N 0.00 0.03 -0.23 2.57 5.85 -1.41 -3.26 115.31 118.85 2yuk h LEU 32 Ca 0.03 -0.63 0.04 0.00 0.84 0.00 0.00 57.88 58.16 2yuk h LEU 32 Cb 0.55 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 2yuk h LEU 32 CO -0.00 1.42 -0.51 0.22 -0.34 0.00 0.00 178.44 179.23 2yuk h TYR 33 N -0.93 -1.51 -0.18 1.25 3.20 -0.51 -2.04 116.97 116.25 2yuk h TYR 33 Ca -0.28 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.70 2yuk h TYR 33 Cb 1.29 0.69 -0.06 0.00 1.54 0.00 0.00 36.73 40.20 2yuk h TYR 33 CO 0.13 -0.51 -0.18 1.79 -1.64 0.00 0.00 178.16 177.75 2yuk h THR 34 N -0.49 0.52 -1.16 1.81 1.35 -1.67 0.34 112.91 113.61 2yuk h THR 34 Ca 0.07 0.00 0.40 0.00 -0.55 0.00 0.00 66.41 66.33 2yuk h THR 34 Cb 0.64 0.52 -0.14 0.00 -1.73 0.00 0.00 68.15 67.44 2yuk h THR 34 CO -0.49 0.00 0.71 0.78 -0.25 0.00 0.00 175.52 176.27 2yuk h ASN 35 N -0.21 0.33 0.00 5.36 2.35 -1.43 1.37 115.58 123.36 2yuk h ASN 35 Ca 0.11 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2yuk h ASN 35 Cb 0.38 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2yuk h ASN 35 CO -0.30 -0.23 -0.26 0.40 -1.65 0.00 0.00 177.43 175.39 2yuk h ILE 36 N 0.13 0.00 -0.04 2.81 2.04 -0.71 -3.35 117.51 118.39 2yuk h ILE 36 Ca 0.80 -0.59 0.04 0.00 1.00 0.00 0.00 64.86 66.11 2yuk h ILE 36 Cb 2.26 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 2yuk h ILE 36 CO -0.55 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.09 2yuk h ASN 37 N -0.59 -0.88 -3.81 1.72 2.35 -0.01 -3.29 115.58 111.07 2yuk h ASN 37 Ca 0.00 0.12 -0.74 0.00 -0.55 0.00 0.00 56.30 55.13 2yuk h ASN 37 Cb 0.26 0.36 -0.32 0.00 0.05 0.00 0.00 38.32 38.68 2yuk h ASN 37 CO 0.00 -0.35 -0.06 -0.36 -1.65 0.00 0.00 177.43 175.01 2yuk s PHE 38 N -6.03 3.73 0.10 1.19 0.40 0.47 -4.90 117.98 112.94 2yuk s PHE 38 Ca -0.15 -2.57 -0.15 0.00 -0.60 0.00 0.00 56.93 53.46 2yuk s PHE 38 Cb 0.09 -3.48 -0.09 0.00 0.51 0.00 0.00 43.02 40.06 2yuk s PHE 38 CO 0.66 -0.88 1.41 -1.00 0.70 0.00 0.00 175.22 176.12 2yuk h PRO 39 N 6.97 0.68 -0.34 0.24 0.13 -1.64 -2.93 132.00 135.11 2yuk h PRO 39 Ca 0.09 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2yuk h PRO 39 Cb 0.94 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2yuk h PRO 39 CO 0.79 0.97 0.00 0.09 -0.23 0.00 0.00 178.00 179.62 2yuk n ASN 40 N -4.29 1.19 -0.30 1.44 3.02 -1.26 -4.29 115.26 110.76 2yuk n ASN 40 Ca -0.04 -2.05 0.13 0.00 -0.03 0.00 0.00 54.58 52.59 2yuk n ASN 40 Cb 0.46 -0.21 0.29 0.00 -0.61 0.00 0.00 39.78 39.70 2yuk n ASN 40 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2yuk h LEU 41 N 0.98 -0.11 -1.47 3.41 5.85 -1.86 0.88 115.31 122.98 2yuk h LEU 41 Ca 0.00 0.21 0.13 0.00 0.84 0.00 0.00 57.88 59.06 2yuk h LEU 41 Cb 0.37 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 2yuk h LEU 41 CO 0.03 -0.20 0.51 0.07 -0.34 0.00 0.00 178.44 178.50 2yuk h LYS 42 N 0.15 0.53 0.20 1.25 5.09 -1.79 -0.42 116.57 121.58 2yuk h LYS 42 Ca 0.56 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 61.25 2yuk h LYS 42 Cb 1.13 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 33.34 2yuk h LYS 42 CO -0.71 0.35 -0.09 0.93 -2.09 0.00 0.00 179.45 177.84 2yuk h GLU 43 N 0.55 -0.25 -0.96 0.07 4.39 0.43 -2.76 114.58 116.05 2yuk h GLU 43 Ca 0.37 0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.25 2yuk h GLU 43 Cb 0.67 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.30 2yuk h GLU 43 CO -0.13 0.14 0.60 0.93 -1.16 0.00 0.00 179.01 179.39 2yuk h GLU 44 N -0.86 0.70 -2.98 2.33 5.08 -0.93 -3.32 114.58 114.60 2yuk h GLU 44 Ca -0.03 -0.04 -0.58 0.00 -1.00 0.00 0.00 59.36 57.71 2yuk h GLU 44 Cb 0.51 -0.16 -0.40 0.00 0.50 0.00 0.00 28.75 29.21 2yuk h GLU 44 CO 0.04 0.47 -0.78 -0.06 -1.00 0.00 0.00 179.01 177.68 2yuk s PHE 45 N -5.75 1.29 -0.02 4.33 0.40 -0.21 -5.00 117.98 113.02 2yuk s PHE 45 Ca -0.10 -1.78 -0.25 0.00 -0.60 0.00 0.00 56.93 54.19 2yuk s PHE 45 Cb 0.23 -1.40 -0.20 0.00 0.51 0.00 0.00 43.02 42.16 2yuk s PHE 45 CO 0.80 -0.83 1.22 -1.00 0.70 0.00 0.00 175.22 176.11 2yuk h PRO 46 N 7.40 -0.06 -6.25 0.24 0.13 -1.60 -3.41 132.00 128.46 2yuk h PRO 46 Ca -0.05 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.51 2yuk h PRO 46 Cb 0.97 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 2yuk h PRO 46 CO 0.41 0.41 1.29 -0.51 -0.23 0.00 0.00 178.00 179.37 2yuk s ASP 47 N -5.62 5.87 0.11 1.44 1.11 -1.26 -4.88 116.67 113.44 2yuk s ASP 47 Ca -0.15 1.38 -0.25 0.00 0.18 0.00 0.00 52.55 53.71 2yuk s ASP 47 Cb 0.02 -2.52 -0.08 0.00 1.07 0.00 0.00 42.92 41.40 2yuk s ASP 47 CO 0.64 -1.71 1.42 -0.25 1.18 0.00 0.00 175.17 176.45 2yuk h TRP 48 N 13.01 -1.37 -0.65 4.23 -0.00 -1.98 0.85 115.95 130.03 2yuk h TRP 48 Ca -0.35 0.08 0.19 0.00 -0.00 0.00 0.00 58.89 58.81 2yuk h TRP 48 Cb 1.18 0.66 -0.03 0.00 -0.00 0.00 0.00 29.16 30.97 2yuk h TRP 48 CO 0.95 -0.35 1.02 1.15 -0.00 0.00 0.00 178.44 181.21 2yuk h THR 49 N -0.21 0.05 0.04 2.65 2.02 -1.97 1.09 112.91 116.57 2yuk h THR 49 Ca 0.08 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.89 2yuk h THR 49 Cb 0.42 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 2yuk h THR 49 CO -0.55 0.00 -2.21 0.41 0.37 0.00 0.00 175.52 173.54 2yuk n THR 50 N -3.11 1.57 0.13 3.16 -1.04 0.26 -4.27 114.28 110.98 2yuk n THR 50 Ca 0.14 -0.68 -0.12 0.00 -2.04 0.00 0.00 64.05 61.35 2yuk n THR 50 Cb 1.22 -1.27 -0.07 0.00 -1.82 0.00 0.00 70.33 68.39 2yuk n THR 50 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2yuk h ARG 51 N 0.02 -0.36 -0.98 -2.82 2.43 0.47 -3.25 114.38 109.89 2yuk h ARG 51 Ca -0.49 0.02 0.25 0.00 -0.81 0.00 0.00 59.98 58.96 2yuk h ARG 51 Cb 2.02 0.08 -0.18 0.00 -0.42 0.00 0.00 29.97 31.47 2yuk h ARG 51 CO 0.01 -0.01 -0.06 -0.24 -1.51 0.00 0.00 179.97 178.17 2yuk h VAL 52 N -0.86 0.02 -0.93 0.20 3.04 -0.92 0.99 116.25 117.80 2yuk h VAL 52 Ca -0.04 -0.00 0.17 0.00 -1.01 0.00 0.00 66.70 65.82 2yuk h VAL 52 Cb 0.51 0.01 -0.10 0.00 -2.01 0.00 0.00 31.29 29.71 2yuk h VAL 52 CO 0.06 0.00 0.52 0.11 -1.01 0.00 0.00 177.57 177.25 2yuk h LYS 53 N 0.01 0.68 0.86 4.17 1.57 -1.74 -2.41 116.57 119.70 2yuk h LYS 53 Ca 0.56 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.26 2yuk h LYS 53 Cb 1.07 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.24 2yuk h LYS 53 CO -0.95 0.45 -0.41 1.96 -0.57 0.00 0.00 179.45 179.93 2yuk h GLN 54 N 0.70 -1.11 -1.31 3.15 1.08 0.97 -2.77 115.11 115.82 2yuk h GLN 54 Ca 0.52 0.08 0.45 0.00 -1.45 0.00 0.00 58.65 58.24 2yuk h GLN 54 Cb 0.76 0.25 -0.13 0.00 -0.05 0.00 0.00 27.48 28.32 2yuk h GLN 54 CO -0.37 -0.73 0.85 -0.89 -0.95 0.00 0.00 178.83 176.73 2yuk n ILE 55 N -5.55 -0.23 0.30 2.54 5.41 -0.93 0.13 119.36 121.04 2yuk n ILE 55 Ca -0.15 1.67 -0.15 0.00 1.00 0.00 0.00 62.75 65.13 2yuk n ILE 55 Cb 0.46 -2.75 -0.07 0.00 -0.71 0.00 0.00 39.64 36.57 2yuk n ILE 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yuk h ALA 56 N 1.47 -0.79 -0.16 -1.39 0.00 -1.29 -0.26 119.26 116.83 2yuk h ALA 56 Ca 0.82 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.57 2yuk h ALA 56 Cb 2.69 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 20.75 2yuk h ALA 56 CO -0.42 -0.80 -0.08 1.57 0.00 0.00 0.00 179.25 179.52 2yuk h LYS 57 N -1.08 -0.06 -0.65 0.00 2.10 -0.20 -0.38 116.57 116.29 2yuk h LYS 57 Ca -0.08 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.60 2yuk h LYS 57 Cb 0.66 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.97 2yuk h LYS 57 CO 0.13 -0.04 0.43 -0.07 -2.00 0.00 0.00 179.45 177.90 2yuk h LEU 58 N -0.07 0.68 0.31 7.07 3.38 -1.14 -0.87 115.31 124.67 2yuk h LEU 58 Ca 0.09 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2yuk h LEU 58 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2yuk h LEU 58 CO -0.20 0.47 -0.15 -0.25 0.09 0.00 0.00 178.44 178.40 2yuk h TRP 59 N 0.79 -0.38 -0.73 1.13 2.91 -0.08 -3.07 115.95 116.52 2yuk h TRP 59 Ca 0.26 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.33 2yuk h TRP 59 Cb 0.05 0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 28.77 2yuk h TRP 59 CO -0.00 -0.07 0.42 0.00 -1.03 0.00 0.00 178.44 177.76 2yuk h ARG 60 N -0.71 0.76 -0.89 2.65 3.08 -0.84 -1.93 114.38 116.51 2yuk h ARG 60 Ca -0.04 -0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.17 2yuk h ARG 60 Cb 0.48 -0.17 -0.12 0.00 0.08 0.00 0.00 29.97 30.24 2yuk h ARG 60 CO 0.07 0.50 0.40 -0.22 -1.07 0.00 0.00 179.97 179.65 2yuk h LYS 61 N 0.78 0.43 -6.36 0.04 3.64 -1.14 -3.39 116.57 110.57 2yuk h LYS 61 Ca 0.32 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 59.13 2yuk h LYS 61 Cb 0.18 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2yuk h LYS 61 CO -0.18 0.28 0.97 0.00 -2.27 0.00 0.00 179.45 178.25 2yuk s ALA 62 N -5.90 3.63 0.68 5.00 0.00 -0.73 -4.96 121.76 119.48 2yuk s ALA 62 Ca -0.12 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 52.67 2yuk s ALA 62 Cb 0.25 -3.68 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 2yuk s ALA 62 CO 0.78 -1.13 1.10 0.43 0.00 0.00 0.00 175.76 176.94 2yuk n SER 63 N 6.00 1.15 -0.28 0.00 7.64 -1.26 -4.71 113.62 122.17 2yuk n SER 63 Ca 0.15 0.74 0.09 0.00 1.01 0.00 0.00 58.87 60.87 2yuk n SER 63 Cb 0.42 -1.47 0.23 0.00 -1.01 0.00 0.00 64.21 62.39 2yuk n SER 63 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yuk h SER 64 N 0.11 0.01 -0.17 6.43 0.02 -1.93 0.82 113.55 118.85 2yuk h SER 64 Ca -0.49 0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 2yuk h SER 64 Cb 1.34 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 2yuk h SER 64 CO 0.50 -0.09 0.15 1.56 -1.14 0.00 0.00 176.83 177.81 2yuk h GLN 65 N 0.25 0.00 0.03 3.45 7.50 -2.00 0.31 115.11 124.64 2yuk h GLN 65 Ca 0.48 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 59.39 2yuk h GLN 65 Cb 0.90 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.44 2yuk h GLN 65 CO -0.58 0.00 -1.03 1.49 -1.50 0.00 0.00 178.83 177.21 2yuk h GLU 66 N 0.00 0.46 0.00 1.46 4.57 0.35 -3.20 114.58 118.22 2yuk h GLU 66 Ca 0.08 -0.54 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 2yuk h GLU 66 Cb 0.39 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2yuk h GLU 66 CO -0.00 1.19 -0.04 0.00 -1.18 0.00 0.00 179.01 178.97 2yuk h ARG 67 N 0.24 0.00 -0.68 1.92 3.08 -0.64 -3.36 114.38 114.94 2yuk h ARG 67 Ca -0.11 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2yuk h ARG 67 Cb 1.68 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.64 2yuk h ARG 67 CO 0.18 0.04 -0.36 0.00 -1.07 0.00 0.00 179.97 178.76 2yuk n ALA 68 N -2.11 -0.33 0.02 0.04 0.00 -0.05 0.18 120.51 118.25 2yuk n ALA 68 Ca 0.03 0.61 -0.13 0.00 0.00 0.00 0.00 53.44 53.96 2yuk n ALA 68 Cb 0.52 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 2yuk n ALA 68 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2yuk h PRO 69 N 0.00 -0.08 0.00 0.00 0.13 -1.80 -2.83 132.00 127.42 2yuk h PRO 69 Ca 0.15 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2yuk h PRO 69 Cb 0.32 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.47 2yuk h PRO 69 CO -0.65 0.37 0.00 1.88 -0.23 0.00 0.00 178.00 179.37 2yuk h TYR 70 N -0.57 0.00 0.14 1.56 0.05 -1.17 0.20 116.97 117.18 2yuk h TYR 70 Ca -0.01 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.44 2yuk h TYR 70 Cb 0.49 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 2yuk h TYR 70 CO 0.08 0.00 -1.67 0.28 -1.05 0.00 0.00 178.16 175.80 2yuk h VAL 71 N 0.00 1.00 0.18 -2.88 2.07 0.20 -3.28 116.25 113.54 2yuk h VAL 71 Ca 0.00 -2.64 -0.30 0.00 0.82 0.00 0.00 66.70 64.59 2yuk h VAL 71 Cb 0.00 2.72 0.02 0.00 -1.52 0.00 0.00 31.29 32.51 2yuk h VAL 71 CO 0.00 0.82 -1.42 -0.61 0.02 0.00 0.00 177.57 176.38 2yuk h GLN 72 N 0.08 0.37 -0.41 1.57 5.75 -0.96 -3.35 115.11 118.16 2yuk h GLN 72 Ca -0.30 -0.63 0.08 0.00 -0.15 0.00 0.00 58.65 57.64 2yuk h GLN 72 Cb 2.05 0.24 -0.07 0.00 1.07 0.00 0.00 27.48 30.77 2yuk h GLN 72 CO 0.16 1.30 -0.04 -0.22 -2.65 0.00 0.00 178.83 177.38 2yuk h LYS 73 N -0.09 0.06 -0.65 1.69 3.64 -0.84 -1.66 116.57 118.71 2yuk h LYS 73 Ca -0.28 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2yuk h LYS 73 Cb 1.94 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 33.62 2yuk h LYS 73 CO 0.16 0.04 -0.08 0.00 -2.27 0.00 0.00 179.45 177.30 2yuk h ALA 74 N 1.38 0.54 -0.29 5.00 0.00 -1.70 0.35 119.26 124.54 2yuk h ALA 74 Ca 0.20 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 2yuk h ALA 74 Cb 0.30 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2yuk h ALA 74 CO -0.37 -0.42 0.17 0.00 0.00 0.00 0.00 179.25 178.63 2yuk h ARG 75 N 0.05 0.39 -0.60 0.00 3.08 -1.47 -2.53 114.38 113.31 2yuk h ARG 75 Ca 0.33 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 2yuk h ARG 75 Cb 0.53 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2yuk h ARG 75 CO -0.62 0.32 0.31 0.22 -1.07 0.00 0.00 179.97 179.12 2yuk h ASP 76 N 0.36 0.75 -0.38 7.04 1.82 -0.31 -1.89 116.42 123.81 2yuk h ASP 76 Ca 0.10 -0.06 0.06 0.00 -0.39 0.00 0.00 57.03 56.74 2yuk h ASP 76 Cb 0.03 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 39.83 2yuk h ASP 76 CO -0.02 0.62 0.26 0.78 -1.61 0.00 0.00 179.24 179.27 2yuk h ASN 77 N 0.84 0.20 -0.07 2.28 2.35 0.06 -0.68 115.58 120.55 2yuk h ASN 77 Ca 0.21 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 2yuk h ASN 77 Cb 0.06 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2yuk h ASN 77 CO -0.03 0.13 -0.30 0.03 -1.65 0.00 0.00 177.43 175.61 2yuk h ARG 78 N 0.23 0.54 -0.01 0.81 3.08 -1.19 -3.19 114.38 114.65 2yuk h ARG 78 Ca 0.17 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2yuk h ARG 78 Cb 0.38 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2yuk h ARG 78 CO -0.03 0.78 -0.00 0.00 -1.07 0.00 0.00 179.97 179.65 2yuk h ALA 79 N 1.21 0.01 -1.80 0.04 0.00 -1.13 -2.96 119.26 114.63 2yuk h ALA 79 Ca 0.06 -0.19 0.54 0.00 0.00 0.00 0.00 54.91 55.32 2yuk h ALA 79 Cb 0.76 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 2yuk h ALA 79 CO 0.06 -0.30 1.27 0.00 0.00 0.00 0.00 179.25 180.28 2yuk h ALA 80 N 0.63 3.60 0.02 0.00 0.00 -1.44 0.49 119.26 122.56 2yuk h ALA 80 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2yuk h ALA 80 Cb 0.38 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2yuk h ALA 80 CO 0.00 -2.17 -0.01 -0.07 0.00 0.00 0.00 179.25 177.00 2yuk h LEU 81 N 0.01 -0.03 -1.30 0.00 3.38 -1.61 -1.45 115.31 114.31 2yuk h LEU 81 Ca 0.90 -0.73 0.22 0.00 0.09 0.00 0.00 57.88 58.36 2yuk h LEU 81 Cb 3.46 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 44.13 2yuk h LEU 81 CO -0.11 0.77 0.63 -0.09 0.09 0.00 0.00 178.44 179.73 2yuk h ARG 82 N -0.88 0.50 0.25 1.13 2.43 -0.02 -0.65 114.38 117.16 2yuk h ARG 82 Ca -0.00 -0.03 -0.34 0.00 -0.81 0.00 0.00 59.98 58.80 2yuk h ARG 82 Cb 0.75 -0.11 0.04 0.00 -0.42 0.00 0.00 29.97 30.22 2yuk h ARG 82 CO 0.00 0.33 -1.51 0.82 -1.51 0.00 0.00 179.97 178.11 2yuk h ILE 83 N 0.52 1.25 -3.50 1.20 5.03 -1.37 -3.41 117.51 117.23 2yuk h ILE 83 Ca 0.55 -2.69 -0.75 0.00 -0.12 0.00 0.00 64.86 61.85 2yuk h ILE 83 Cb 1.20 3.03 -0.28 0.00 -3.03 0.00 0.00 36.82 37.73 2yuk h ILE 83 CO -0.28 0.82 -0.18 0.20 -0.68 0.00 0.00 178.15 178.02 2yuk s ASN 84 N -7.57 6.08 -0.29 1.72 0.01 -0.25 -5.00 114.94 109.64 2yuk s ASN 84 Ca -0.09 -2.36 -0.14 0.00 -0.71 0.00 0.00 52.86 49.55 2yuk s ASN 84 Cb 0.04 -2.09 0.09 0.00 0.41 0.00 0.00 41.25 39.71 2yuk s ASN 84 CO 0.94 -0.61 0.69 -0.75 -1.51 0.00 0.00 177.10 175.86 2yuk s LYS 85 N 0.68 0.67 -0.41 -0.60 2.47 -1.22 -4.58 119.74 116.76 2yuk s LYS 85 Ca 0.12 1.27 -0.28 0.00 -1.56 0.00 0.00 55.97 55.52 2yuk s LYS 85 Cb -0.20 0.33 -0.00 0.00 -1.46 0.00 0.00 37.83 36.50 2yuk s LYS 85 CO -0.04 -0.16 1.57 0.08 0.16 0.00 0.00 175.35 176.96 2yuk s VAL 86 N 1.96 3.72 0.03 4.02 1.01 -1.26 -4.97 120.40 124.90 2yuk s VAL 86 Ca -0.09 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.59 2yuk s VAL 86 Cb -0.07 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2yuk s VAL 86 CO -0.20 -0.69 -0.03 -1.58 0.00 0.00 0.00 175.10 172.61 2yuk s GLN 87 N 5.35 0.43 -0.11 2.72 0.74 -1.26 -5.16 119.66 122.37 2yuk s GLN 87 Ca 0.67 -0.84 -0.04 0.00 0.05 0.00 0.00 55.36 55.19 2yuk s GLN 87 Cb -0.16 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.05 2yuk s GLN 87 CO 0.32 -0.07 0.05 1.41 -0.55 0.00 0.00 175.29 176.44 2yuk s MET 88 N -2.40 3.28 -0.08 1.67 -2.45 -1.26 -5.10 119.30 112.96 2yuk s MET 88 Ca -0.07 -0.32 -0.04 0.00 -1.25 0.00 0.00 55.69 54.01 2yuk s MET 88 Cb -0.03 -2.97 0.04 0.00 1.25 0.00 0.00 34.83 33.12 2yuk s MET 88 CO -0.04 0.65 0.18 -1.12 1.05 0.00 0.00 175.02 175.74 2yuk s SER 89 N -0.71 -0.07 0.00 1.11 0.01 -1.26 -5.33 113.70 107.46 2yuk s SER 89 Ca 0.12 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2yuk s SER 89 Cb -0.12 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2yuk s SER 89 CO 0.02 -0.17 0.24 -0.46 0.41 0.00 0.00 173.24 173.29