#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 6.28 0.06 1.61 0.01 -1.26 -5.09 113.70 115.31 2yuk s SER 2 Ca 0.00 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.62 2yuk s SER 2 Cb 0.00 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 2yuk s SER 2 CO 0.00 0.25 -0.10 -0.44 0.41 0.00 0.00 173.24 173.36 2yuk s SER 3 N -0.10 1.21 0.31 2.44 0.01 -1.26 -5.12 113.70 111.18 2yuk s SER 3 Ca 0.11 -0.65 -0.29 0.00 1.31 0.00 0.00 55.95 56.43 2yuk s SER 3 Cb -0.11 0.01 -0.13 0.00 0.21 0.00 0.00 66.02 66.00 2yuk s SER 3 CO 0.00 -0.20 1.33 0.61 0.41 0.00 0.00 173.24 175.39 2yuk n GLY 4 N 1.13 0.66 4.00 3.44 0.00 -1.26 -5.00 105.19 108.16 2yuk n GLY 4 Ca -0.20 0.38 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2yuk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuk s SER 5 N -0.10 5.79 0.05 1.61 1.04 -1.26 -5.13 113.70 115.70 2yuk s SER 5 Ca 0.60 -0.26 -0.02 0.00 0.48 0.00 0.00 55.95 56.75 2yuk s SER 5 Cb -0.59 -0.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.52 2yuk s SER 5 CO 0.58 -0.63 -0.00 -0.94 0.98 0.00 0.00 173.24 173.22 2yuk s SER 6 N -4.27 0.42 0.36 7.02 1.04 -1.26 -5.07 113.70 111.94 2yuk s SER 6 Ca 0.50 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2yuk s SER 6 Cb -0.10 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2yuk s SER 6 CO 0.33 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2yuk n GLY 7 N 0.24 -1.49 3.15 7.32 0.00 -1.26 -5.14 105.19 108.01 2yuk n GLY 7 Ca -0.15 0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2yuk n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuk s ASN 8 N -2.44 1.72 -0.15 1.61 4.22 -1.26 -5.13 114.94 113.50 2yuk s ASN 8 Ca 0.00 -0.43 -0.01 0.00 -2.14 0.00 0.00 52.86 50.28 2yuk s ASN 8 Cb 0.00 -0.12 0.04 0.00 1.28 0.00 0.00 41.25 42.44 2yuk s ASN 8 CO 0.00 0.06 -0.06 0.00 -2.04 0.00 0.00 177.10 175.07 2yuk s ALA 9 N -0.77 1.42 -0.29 3.54 0.00 -1.26 -5.10 121.76 119.31 2yuk s ALA 9 Ca 0.03 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 2yuk s ALA 9 Cb -0.08 -1.06 0.14 0.00 0.00 0.00 0.00 23.12 22.13 2yuk s ALA 9 CO 0.01 -0.67 0.94 -1.14 0.00 0.00 0.00 175.76 174.89 2yuk s GLN 10 N 1.66 0.41 -1.47 0.00 2.00 -1.26 -4.95 119.66 116.05 2yuk s GLN 10 Ca 0.02 0.76 -0.10 0.00 -2.00 0.00 0.00 55.36 54.03 2yuk s GLN 10 Cb -0.14 0.17 0.05 0.00 0.80 0.00 0.00 33.01 33.89 2yuk s GLN 10 CO -0.08 -0.09 0.88 -2.13 -0.50 0.00 0.00 175.29 173.37 2yuk n ARG 11 N 4.03 -5.59 -3.87 1.67 0.63 -1.26 -4.97 116.66 107.31 2yuk n ARG 11 Ca -0.17 0.69 -0.29 0.00 -0.92 0.00 0.00 57.85 57.16 2yuk n ARG 11 Cb 0.57 -5.58 -0.16 0.00 0.45 0.00 0.00 32.46 27.73 2yuk n ARG 11 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2yuk s SER 12 N -3.10 3.16 0.47 6.15 0.15 -1.26 -4.99 113.70 114.28 2yuk s SER 12 Ca 0.54 -0.86 0.26 0.00 0.70 0.00 0.00 55.95 56.60 2yuk s SER 12 Cb -0.26 -0.91 0.99 0.00 -1.71 0.00 0.00 66.02 64.13 2yuk s SER 12 CO 0.67 -0.23 1.85 0.71 1.20 0.00 0.00 173.24 177.44 2yuk h THR 13 N 6.50 0.40 0.00 6.45 1.35 -2.02 -2.80 112.91 122.79 2yuk h THR 13 Ca -0.20 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2yuk h THR 13 Cb 1.10 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2yuk h THR 13 CO 0.39 0.16 0.00 0.18 -0.25 0.00 0.00 175.52 176.00 2yuk n LEU 14 N -3.31 0.40 -1.26 3.87 4.32 -1.26 -1.16 117.00 118.60 2yuk n LEU 14 Ca 0.00 0.67 -0.06 0.00 -0.02 0.00 0.00 56.01 56.60 2yuk n LEU 14 Cb 0.41 -0.69 0.20 0.00 -1.62 0.00 0.00 43.42 41.71 2yuk n LEU 14 CO 0.32 -0.73 0.73 1.17 -1.22 0.00 0.00 177.39 177.66 2yuk n LYS 15 N -2.02 1.87 0.01 3.23 3.00 -1.06 -4.62 118.16 118.57 2yuk n LYS 15 Ca -0.00 -3.20 -0.01 0.00 -0.00 0.00 0.00 58.31 55.10 2yuk n LYS 15 Cb 0.07 -1.85 -0.00 0.00 0.00 0.00 0.00 35.03 33.24 2yuk n LYS 15 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 2yuk n TRP 16 N -1.13 0.00 -0.31 5.64 7.02 -0.31 -4.45 117.44 123.91 2yuk n TRP 16 Ca 0.36 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.97 2yuk n TRP 16 Cb 1.08 -0.04 0.31 0.00 -2.42 0.00 0.00 31.31 30.25 2yuk n TRP 16 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 2yuk h GLU 17 N -0.05 0.37 0.42 -0.99 4.11 -1.82 0.34 114.58 116.97 2yuk h GLU 17 Ca -0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 2yuk h GLU 17 Cb 0.65 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2yuk h GLU 17 CO -0.01 0.25 -0.20 0.87 0.07 0.00 0.00 179.01 179.98 2yuk h LYS 18 N 0.38 -0.54 -0.73 1.06 1.57 -1.85 -3.08 116.57 113.38 2yuk h LYS 18 Ca 0.57 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.51 2yuk h LYS 18 Cb 1.09 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 2yuk h LYS 18 CO -0.54 -0.23 0.49 0.93 -0.57 0.00 0.00 179.45 179.52 2yuk h GLU 19 N -0.88 0.45 -0.91 3.15 4.39 -1.51 -0.41 114.58 118.86 2yuk h GLU 19 Ca -0.06 -0.03 0.20 0.00 0.34 0.00 0.00 59.36 59.81 2yuk h GLU 19 Cb 0.56 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.03 2yuk h GLU 19 CO 0.09 0.30 0.60 0.93 -1.16 0.00 0.00 179.01 179.77 2yuk h GLU 20 N 0.47 0.45 -0.15 2.33 4.39 -0.26 0.18 114.58 121.99 2yuk h GLU 20 Ca 0.35 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.88 2yuk h GLU 20 Cb 0.72 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2yuk h GLU 20 CO -0.12 0.30 -0.52 0.00 -1.16 0.00 0.00 179.01 177.52 2yuk h ALA 21 N 1.61 0.84 0.00 3.43 0.00 -1.11 -2.76 119.26 121.28 2yuk h ALA 21 Ca 0.48 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yuk h ALA 21 Cb 1.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2yuk h ALA 21 CO -0.20 0.68 0.00 -0.07 0.00 0.00 0.00 179.25 179.66 2yuk h LEU 22 N 0.32 0.00 0.00 0.00 3.38 -0.67 -3.47 115.31 114.86 2yuk h LEU 22 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2yuk h LEU 22 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 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 0.01 3.93 0.10 0.83 0.00 -0.90 -0.95 105.19 108.21 2yuk n GLY 23 Ca 0.01 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.30 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 12.54 0.09 0.00 1.61 1.02 -1.26 -0.03 120.64 134.61 2yuk n GLU 24 Ca 0.00 0.59 0.12 0.00 -0.02 0.00 0.00 57.16 57.85 2yuk n GLU 24 Cb 0.00 -1.79 0.26 0.00 -0.02 0.00 0.00 31.44 29.89 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 -1.98 0.09 -1.30 3.49 2.81 -0.12 -4.96 117.12 115.15 2yuk n MET 25 Ca -0.01 -0.05 -0.51 0.00 -1.81 0.00 0.00 57.70 55.32 2yuk n MET 25 Cb 0.02 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 30.96 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 -1.41 -2.55 0.83 3.04 0.00 0.96 -4.78 120.51 116.60 2yuk n ALA 26 Ca 0.06 0.47 0.03 0.00 0.00 0.00 0.00 53.44 54.00 2yuk n ALA 26 Cb 0.34 -1.49 0.11 0.00 0.00 0.00 0.00 19.45 18.41 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 1.82 0.59 -4.41 0.00 -2.24 -1.26 -4.52 114.28 104.26 2yuk n THR 27 Ca 0.19 -0.36 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 2yuk n THR 27 Cb 0.03 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.61 2.16 -0.03 2.28 1.01 -1.26 -4.46 120.40 118.48 2yuk s VAL 28 Ca 0.16 -2.21 -0.20 0.00 0.00 0.00 0.00 61.98 59.73 2yuk s VAL 28 Cb 0.10 -2.13 -0.13 0.00 0.00 0.00 0.00 36.38 34.23 2yuk s VAL 28 CO 0.07 -0.39 0.85 0.00 0.00 0.00 0.00 175.10 175.63 2yuk h ALA 29 N 2.66 -0.44 -0.23 5.51 0.00 -1.88 -2.68 119.26 122.20 2yuk h ALA 29 Ca -0.41 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2yuk h ALA 29 Cb 1.23 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2yuk h ALA 29 CO 0.57 -0.47 -0.23 -1.00 0.00 0.00 0.00 179.25 178.13 2yuk h PRO 30 N -0.99 0.56 0.00 0.00 0.13 -1.92 -1.40 132.00 128.38 2yuk h PRO 30 Ca -0.04 -0.30 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2yuk h PRO 30 Cb 0.49 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 2yuk h PRO 30 CO 0.07 0.88 -0.02 0.28 -0.23 0.00 0.00 178.00 178.98 2yuk h VAL 31 N 0.26 0.26 0.00 1.56 2.07 -1.91 -2.76 116.25 115.73 2yuk h VAL 31 Ca 0.04 -0.15 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 2yuk h VAL 31 Cb 0.78 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2yuk h VAL 31 CO 0.06 0.02 -1.01 0.25 0.02 0.00 0.00 177.57 176.91 2yuk h LEU 32 N 0.00 0.00 -0.56 2.57 5.85 -1.32 -3.21 115.31 118.64 2yuk h LEU 32 Ca -0.00 -0.54 0.09 0.00 0.84 0.00 0.00 57.88 58.27 2yuk h LEU 32 Cb 0.11 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.04 2yuk h LEU 32 CO 0.00 1.36 -0.42 0.22 -0.34 0.00 0.00 178.44 179.26 2yuk h TYR 33 N -1.00 -1.21 -0.64 1.25 3.20 -1.07 -0.02 116.97 117.48 2yuk h TYR 33 Ca -0.27 0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.68 2yuk h TYR 33 Cb 1.19 0.61 -0.03 0.00 1.54 0.00 0.00 36.73 40.04 2yuk h TYR 33 CO 0.10 -0.42 0.40 1.79 -1.64 0.00 0.00 178.16 178.39 2yuk h THR 34 N -0.23 1.18 -1.01 1.81 1.35 -1.69 0.15 112.91 114.47 2yuk h THR 34 Ca 0.18 -0.38 0.27 0.00 -0.55 0.00 0.00 66.41 65.93 2yuk h THR 34 Cb 0.56 0.28 -0.07 0.00 -1.73 0.00 0.00 68.15 67.19 2yuk h THR 34 CO -0.67 0.18 0.69 0.78 -0.25 0.00 0.00 175.52 176.25 2yuk h ASN 35 N 0.87 0.26 0.00 5.36 2.35 -1.03 0.97 115.58 124.37 2yuk h ASN 35 Ca 0.23 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2yuk h ASN 35 Cb -0.05 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2yuk h ASN 35 CO -0.05 0.07 -0.46 -0.38 -1.65 0.00 0.00 177.43 174.96 2yuk n ILE 36 N -4.45 1.07 -0.07 2.81 5.41 -0.73 -4.10 119.36 119.30 2yuk n ILE 36 Ca 0.23 0.28 -0.07 0.00 1.00 0.00 0.00 62.75 64.19 2yuk n ILE 36 Cb 0.93 -2.16 -0.01 0.00 -0.71 0.00 0.00 39.64 37.69 2yuk n ILE 36 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2yuk h ASN 37 N -0.75 -0.34 -3.87 4.38 2.35 -0.61 -3.29 115.58 113.46 2yuk h ASN 37 Ca 0.00 0.09 -0.72 0.00 -0.55 0.00 0.00 56.30 55.13 2yuk h ASN 37 Cb 0.46 0.21 -0.33 0.00 0.05 0.00 0.00 38.32 38.70 2yuk h ASN 37 CO 0.00 -0.13 -0.17 -0.36 -1.65 0.00 0.00 177.43 175.12 2yuk s PHE 38 N -6.20 3.63 0.06 1.19 0.40 0.33 -4.91 117.98 112.49 2yuk s PHE 38 Ca -0.14 -2.68 -0.18 0.00 -0.60 0.00 0.00 56.93 53.33 2yuk s PHE 38 Cb 0.12 -3.34 -0.12 0.00 0.51 0.00 0.00 43.02 40.19 2yuk s PHE 38 CO 0.69 -0.84 1.38 -1.00 0.70 0.00 0.00 175.22 176.15 2yuk h PRO 39 N 6.85 0.50 -0.45 0.24 0.13 -1.67 -2.96 132.00 134.64 2yuk h PRO 39 Ca 0.06 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2yuk h PRO 39 Cb 0.93 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2yuk h PRO 39 CO 0.77 0.84 0.00 0.09 -0.23 0.00 0.00 178.00 179.47 2yuk n ASN 40 N -4.44 1.17 -0.25 1.44 4.13 -1.26 -4.37 115.26 111.69 2yuk n ASN 40 Ca -0.05 -2.07 -0.09 0.00 1.68 0.00 0.00 54.58 54.05 2yuk n ASN 40 Cb 0.41 -0.27 -0.05 0.00 -1.54 0.00 0.00 39.78 38.33 2yuk n ASN 40 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2yuk h LEU 41 N 0.74 -1.64 -0.99 3.41 5.85 -1.86 -0.91 115.31 119.92 2yuk h LEU 41 Ca 0.00 0.26 0.09 0.00 0.84 0.00 0.00 57.88 59.07 2yuk h LEU 41 Cb 0.41 0.74 -0.12 0.00 0.37 0.00 0.00 40.66 42.07 2yuk h LEU 41 CO 0.04 -0.32 -0.59 0.11 -0.34 0.00 0.00 178.44 177.34 2yuk h LYS 42 N -0.19 -0.00 0.37 1.25 6.56 -1.80 0.14 116.57 122.90 2yuk h LYS 42 Ca 0.18 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 2yuk h LYS 42 Cb 0.55 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.18 2yuk h LYS 42 CO -0.75 -0.00 -0.46 0.93 -2.06 0.00 0.00 179.45 177.12 2yuk h GLU 43 N -0.00 -0.83 -1.00 3.15 5.08 -1.59 -1.80 114.58 117.59 2yuk h GLU 43 Ca 0.16 0.06 0.33 0.00 -1.00 0.00 0.00 59.36 58.91 2yuk h GLU 43 Cb 0.41 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 29.69 2yuk h GLU 43 CO -0.93 -0.56 0.54 0.93 -1.00 0.00 0.00 179.01 178.00 2yuk h GLU 44 N -0.87 0.26 -2.99 2.33 4.39 0.08 -3.24 114.58 114.54 2yuk h GLU 44 Ca -0.03 -0.02 -0.58 0.00 0.34 0.00 0.00 59.36 59.07 2yuk h GLU 44 Cb 0.79 -0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 28.98 2yuk h GLU 44 CO -0.11 0.17 -0.78 -0.06 -1.16 0.00 0.00 179.01 177.07 2yuk s PHE 45 N -5.66 1.32 -0.02 4.33 0.40 0.35 -5.00 117.98 113.70 2yuk s PHE 45 Ca -0.10 -1.81 -0.26 0.00 -0.60 0.00 0.00 56.93 54.17 2yuk s PHE 45 Cb 0.31 -1.43 -0.20 0.00 0.51 0.00 0.00 43.02 42.21 2yuk s PHE 45 CO 0.79 -0.83 1.25 -1.00 0.70 0.00 0.00 175.22 176.13 2yuk h PRO 46 N 7.39 -0.02 -6.24 0.24 0.13 -1.44 -3.42 132.00 128.64 2yuk h PRO 46 Ca -0.05 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.52 2yuk h PRO 46 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2yuk h PRO 46 CO 0.41 0.46 1.21 -0.51 -0.23 0.00 0.00 178.00 179.34 2yuk s ASP 47 N -5.66 6.24 0.09 1.44 1.11 -1.26 -4.89 116.67 113.74 2yuk s ASP 47 Ca -0.16 1.89 -0.28 0.00 0.18 0.00 0.00 52.55 54.19 2yuk s ASP 47 Cb 0.02 -2.53 -0.11 0.00 1.07 0.00 0.00 42.92 41.37 2yuk s ASP 47 CO 0.66 -1.33 1.44 -0.25 1.18 0.00 0.00 175.17 176.88 2yuk h TRP 48 N 11.41 -1.28 -0.62 4.23 -0.00 -1.98 0.60 115.95 128.31 2yuk h TRP 48 Ca -0.38 0.04 0.18 0.00 -0.00 0.00 0.00 58.89 58.73 2yuk h TRP 48 Cb 1.18 0.56 -0.02 0.00 -0.00 0.00 0.00 29.16 30.88 2yuk h TRP 48 CO 0.92 -0.46 0.91 1.15 -0.00 0.00 0.00 178.44 180.97 2yuk h THR 49 N -0.53 0.09 0.04 2.65 2.02 -1.98 0.93 112.91 116.14 2yuk h THR 49 Ca 0.01 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.84 2yuk h THR 49 Cb 0.57 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 2yuk h THR 49 CO -0.30 0.00 -2.12 0.41 0.37 0.00 0.00 175.52 173.88 2yuk n THR 50 N -3.21 1.59 0.03 3.16 -1.04 0.61 -4.20 114.28 111.22 2yuk n THR 50 Ca 0.13 -0.72 -0.11 0.00 -2.04 0.00 0.00 64.05 61.32 2yuk n THR 50 Cb 1.12 -1.21 -0.08 0.00 -1.82 0.00 0.00 70.33 68.33 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 -0.15 -1.10 -2.82 2.43 0.59 -3.19 114.38 110.16 2yuk h ARG 51 Ca -0.45 0.01 0.32 0.00 -0.81 0.00 0.00 59.98 59.05 2yuk h ARG 51 Cb 2.04 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.58 2yuk h ARG 51 CO 0.03 0.33 0.91 -0.24 -1.51 0.00 0.00 179.97 179.50 2yuk h VAL 52 N -0.82 0.27 -0.28 0.20 3.04 -0.58 0.91 116.25 118.99 2yuk h VAL 52 Ca -0.02 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.56 2yuk h VAL 52 Cb 0.56 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 2yuk h VAL 52 CO 0.03 0.00 -0.31 0.11 -1.01 0.00 0.00 177.57 176.39 2yuk h LYS 53 N 0.00 0.58 0.48 4.17 1.57 -1.72 -3.17 116.57 118.48 2yuk h LYS 53 Ca 0.52 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2yuk h LYS 53 Cb 2.34 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.64 2yuk h LYS 53 CO -0.01 0.83 -0.23 1.96 -0.57 0.00 0.00 179.45 181.43 2yuk h GLN 54 N 0.50 -0.62 -1.52 3.15 1.08 0.78 -3.00 115.11 115.47 2yuk h GLN 54 Ca 0.06 0.04 0.49 0.00 -1.45 0.00 0.00 58.65 57.79 2yuk h GLN 54 Cb 0.79 0.14 -0.12 0.00 -0.05 0.00 0.00 27.48 28.24 2yuk h GLN 54 CO 0.06 -0.34 1.02 0.82 -0.95 0.00 0.00 178.83 179.44 2yuk h ILE 55 N -1.08 0.04 0.32 2.54 2.04 -1.56 0.38 117.51 120.19 2yuk h ILE 55 Ca -0.07 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2yuk h ILE 55 Cb 0.57 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2yuk h ILE 55 CO 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 178.11 2yuk h ALA 56 N 1.45 -0.43 -0.25 1.87 0.00 -1.51 -1.59 119.26 118.79 2yuk h ALA 56 Ca 0.88 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.60 2yuk h ALA 56 Cb 3.01 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 20.96 2yuk h ALA 56 CO -0.33 -0.52 0.16 1.57 0.00 0.00 0.00 179.25 180.12 2yuk h LYS 57 N -0.88 0.31 -0.36 0.00 2.10 -0.27 0.24 116.57 117.71 2yuk h LYS 57 Ca -0.04 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2yuk h LYS 57 Cb 0.52 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 2yuk h LYS 57 CO 0.07 0.21 0.24 -0.07 -2.00 0.00 0.00 179.45 177.90 2yuk h LEU 58 N 0.32 0.37 0.04 7.07 3.38 -0.80 -1.53 115.31 124.17 2yuk h LEU 58 Ca 0.09 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2yuk h LEU 58 Cb -0.03 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.64 2yuk h LEU 58 CO -0.03 0.27 -0.52 -0.25 0.09 0.00 0.00 178.44 178.00 2yuk h TRP 59 N 0.44 0.45 0.05 1.13 2.91 -0.61 -3.31 115.95 117.02 2yuk h TRP 59 Ca 0.14 -0.27 0.02 0.00 1.13 0.00 0.00 58.89 59.91 2yuk h TRP 59 Cb 0.02 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 28.59 2yuk h TRP 59 CO -0.00 1.12 -0.23 0.00 -1.03 0.00 0.00 178.44 178.31 2yuk h ARG 60 N -0.35 -0.37 -1.33 2.65 3.08 -0.17 -1.08 114.38 116.80 2yuk h ARG 60 Ca -0.08 0.03 0.39 0.00 0.07 0.00 0.00 59.98 60.39 2yuk h ARG 60 Cb 1.30 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.36 2yuk h ARG 60 CO 0.10 -0.25 0.93 1.57 -1.07 0.00 0.00 179.97 181.25 2yuk h LYS 61 N -0.39 0.07 -6.80 0.04 2.10 -1.42 -3.40 116.57 106.78 2yuk h LYS 61 Ca 0.05 -0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.17 2yuk h LYS 61 Cb 0.44 -0.02 0.04 0.00 -0.90 0.00 0.00 32.23 31.80 2yuk h LYS 61 CO -0.17 0.05 0.59 0.00 -2.00 0.00 0.00 179.45 177.92 2yuk s ALA 62 N -5.07 3.48 0.38 0.07 0.00 -0.41 -5.02 121.76 115.19 2yuk s ALA 62 Ca -0.06 1.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.92 2yuk s ALA 62 Cb 0.25 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 2yuk s ALA 62 CO 0.82 -0.47 0.72 -1.12 0.00 0.00 0.00 175.76 175.71 2yuk s SER 63 N -0.37 6.48 0.18 0.00 0.01 -1.26 -4.86 113.70 113.89 2yuk s SER 63 Ca 0.50 1.02 -0.25 0.00 1.31 0.00 0.00 55.95 58.53 2yuk s SER 63 Cb -0.37 -2.27 0.06 0.00 0.21 0.00 0.00 66.02 63.66 2yuk s SER 63 CO 0.45 -0.36 1.56 0.28 0.41 0.00 0.00 173.24 175.58 2yuk h SER 64 N 1.28 -1.56 -0.76 2.44 0.02 -1.95 1.09 113.55 114.11 2yuk h SER 64 Ca -0.47 0.27 0.22 0.00 -0.84 0.00 0.00 61.79 60.96 2yuk h SER 64 Cb 1.19 0.73 -0.03 0.00 0.14 0.00 0.00 62.40 64.43 2yuk h SER 64 CO 0.64 -0.31 0.65 -0.61 -1.14 0.00 0.00 176.83 176.06 2yuk h GLN 65 N -0.15 0.00 0.20 3.45 5.75 -2.00 0.65 115.11 123.00 2yuk h GLN 65 Ca 0.21 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.39 2yuk h GLN 65 Cb 0.55 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.12 2yuk h GLN 65 CO -0.78 0.00 -1.50 1.49 -2.65 0.00 0.00 178.83 175.39 2yuk h GLU 66 N 0.00 0.41 0.00 1.69 4.81 0.77 -3.30 114.58 118.96 2yuk h GLU 66 Ca 0.36 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2yuk h GLU 66 Cb 1.65 0.26 0.00 0.00 0.63 0.00 0.00 28.75 31.29 2yuk h GLU 66 CO -0.00 1.32 0.00 0.00 -0.73 0.00 0.00 179.01 179.60 2yuk h ARG 67 N 0.11 0.00 -0.66 1.92 3.08 0.15 -3.36 114.38 115.62 2yuk h ARG 67 Ca -0.25 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.87 2yuk h ARG 67 Cb 2.10 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 32.06 2yuk h ARG 67 CO 0.22 0.00 -0.35 0.00 -1.07 0.00 0.00 179.97 178.77 2yuk n ALA 68 N -2.08 -0.33 0.02 0.04 0.00 0.19 0.18 120.51 118.53 2yuk n ALA 68 Ca 0.04 0.58 -0.13 0.00 0.00 0.00 0.00 53.44 53.94 2yuk n ALA 68 Cb 0.50 -0.14 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.82 -2.67 132.00 127.56 2yuk h PRO 69 Ca 0.14 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2yuk h PRO 69 Cb 0.30 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.45 2yuk h PRO 69 CO -0.63 0.37 0.00 1.88 -0.23 0.00 0.00 178.00 179.39 2yuk h TYR 70 N -0.58 0.00 0.13 1.56 0.05 -1.15 0.86 116.97 117.83 2yuk h TYR 70 Ca -0.01 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.48 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 -1.51 0.28 -1.05 0.00 0.00 178.16 175.97 2yuk h VAL 71 N 0.00 0.99 0.00 -2.88 2.07 0.20 -3.30 116.25 113.33 2yuk h VAL 71 Ca 0.00 -2.41 -0.04 0.00 0.82 0.00 0.00 66.70 65.07 2yuk h VAL 71 Cb 0.00 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2yuk h VAL 71 CO 0.00 0.74 -0.14 -0.61 0.02 0.00 0.00 177.57 177.58 2yuk h GLN 72 N -0.22 0.09 -0.56 1.57 5.75 -0.97 -3.30 115.11 117.47 2yuk h GLN 72 Ca -0.32 -0.10 0.11 0.00 -0.15 0.00 0.00 58.65 58.19 2yuk h GLN 72 Cb 1.83 0.03 -0.11 0.00 1.07 0.00 0.00 27.48 30.30 2yuk h GLN 72 CO 0.08 0.87 -0.24 -0.22 -2.65 0.00 0.00 178.83 176.67 2yuk h LYS 73 N -0.64 -0.10 -0.80 1.69 3.64 -1.07 0.58 116.57 119.87 2yuk h LYS 73 Ca -0.02 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.56 2yuk h LYS 73 Cb 0.92 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.63 2yuk h LYS 73 CO 0.03 -0.07 0.18 0.00 -2.27 0.00 0.00 179.45 177.32 2yuk h ALA 74 N 1.26 1.06 -0.13 5.00 0.00 -1.67 0.15 119.26 124.93 2yuk h ALA 74 Ca 0.25 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2yuk h ALA 74 Cb 0.50 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2yuk h ALA 74 CO -0.62 -0.40 0.04 0.00 0.00 0.00 0.00 179.25 178.28 2yuk h ARG 75 N 0.23 0.21 -0.93 0.00 3.08 -1.01 -2.89 114.38 113.07 2yuk h ARG 75 Ca 0.47 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.53 2yuk h ARG 75 Cb 0.87 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.83 2yuk h ARG 75 CO -0.59 0.34 0.61 0.22 -1.07 0.00 0.00 179.97 179.47 2yuk h ASP 76 N 0.04 0.97 -0.77 7.04 1.82 -0.02 -1.31 116.42 124.20 2yuk h ASP 76 Ca 0.04 -0.00 0.14 0.00 -0.39 0.00 0.00 57.03 56.83 2yuk h ASP 76 Cb 0.21 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 2yuk h ASP 76 CO -0.00 0.64 0.51 0.78 -1.61 0.00 0.00 179.24 179.56 2yuk h ASN 77 N 1.11 0.44 -0.46 2.28 2.35 -0.57 -0.60 115.58 120.14 2yuk h ASN 77 Ca 0.39 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 56.08 2yuk h ASN 77 Cb 0.11 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2yuk h ASN 77 CO -0.14 0.23 -0.03 0.03 -1.65 0.00 0.00 177.43 175.88 2yuk h ARG 78 N 0.47 0.84 -0.06 0.81 3.08 -1.19 -3.17 114.38 115.16 2yuk h ARG 78 Ca 0.38 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 2yuk h ARG 78 Cb 0.79 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2yuk h ARG 78 CO -0.13 0.90 0.03 0.00 -1.07 0.00 0.00 179.97 179.70 2yuk h ALA 79 N 0.90 0.08 -1.50 0.04 0.00 -1.08 -2.54 119.26 115.15 2yuk h ALA 79 Ca 0.13 -0.06 0.45 0.00 0.00 0.00 0.00 54.91 55.42 2yuk h ALA 79 Cb 0.54 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2yuk h ALA 79 CO 0.03 -0.37 1.04 0.00 0.00 0.00 0.00 179.25 179.95 2yuk h ALA 80 N 0.91 3.19 0.20 0.00 0.00 -1.35 0.14 119.26 122.36 2yuk h ALA 80 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2yuk h ALA 80 Cb 0.11 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2yuk h ALA 80 CO -0.00 -1.72 -0.10 -0.07 0.00 0.00 0.00 179.25 177.36 2yuk h LEU 81 N 0.06 -0.23 -0.77 0.00 3.38 -1.49 0.08 115.31 116.32 2yuk h LEU 81 Ca 0.79 -0.29 0.16 0.00 0.09 0.00 0.00 57.88 58.63 2yuk h LEU 81 Cb 2.85 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 43.55 2yuk h LEU 81 CO -0.17 0.30 0.27 0.03 0.09 0.00 0.00 178.44 178.96 2yuk h ARG 82 N -0.90 0.36 0.19 1.13 3.08 -0.69 -2.49 114.38 115.07 2yuk h ARG 82 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2yuk h ARG 82 Cb 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2yuk h ARG 82 CO 0.05 0.24 -0.09 0.82 -1.07 0.00 0.00 179.97 179.91 2yuk h ILE 83 N 0.37 0.80 -6.68 2.04 5.03 -1.34 -3.47 117.51 114.26 2yuk h ILE 83 Ca 0.44 -1.01 -0.54 0.00 -0.12 0.00 0.00 64.86 63.63 2yuk h ILE 83 Cb 0.73 1.31 -0.09 0.00 -3.03 0.00 0.00 36.82 35.74 2yuk h ILE 83 CO -0.47 0.19 -0.92 -0.46 -0.68 0.00 0.00 178.15 175.81 2yuk n ASN 84 N -4.97 -0.39 -3.29 1.72 0.23 0.01 -4.95 115.26 103.63 2yuk n ASN 84 Ca -0.08 -1.11 -0.05 0.00 -0.53 0.00 0.00 54.58 52.82 2yuk n ASN 84 Cb 0.26 -2.55 -0.06 0.00 -2.08 0.00 0.00 39.78 35.35 2yuk n ASN 84 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2yuk s LYS 85 N -6.82 0.42 0.14 -3.83 2.20 -1.26 -5.11 119.74 105.48 2yuk s LYS 85 Ca 0.05 0.70 -0.32 0.00 -0.36 0.00 0.00 55.97 56.05 2yuk s LYS 85 Cb -0.02 -0.12 -0.11 0.00 -1.51 0.00 0.00 37.83 36.07 2yuk s LYS 85 CO 0.93 -0.62 1.81 0.28 -0.36 0.00 0.00 175.35 177.38 2yuk n VAL 86 N 5.39 0.28 -1.97 4.02 0.31 -1.26 -4.90 118.33 120.19 2yuk n VAL 86 Ca -0.03 -0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 64.01 2yuk n VAL 86 Cb 0.50 -2.07 0.03 0.00 -0.91 0.00 0.00 33.84 31.39 2yuk n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yuk n GLN 87 N 5.22 3.54 -2.77 5.55 10.64 -1.26 -5.05 117.38 133.26 2yuk n GLN 87 Ca 0.18 -4.11 -0.40 0.00 -1.83 0.00 0.00 57.00 50.84 2yuk n GLN 87 Cb 0.36 -2.27 -0.06 0.00 -0.86 0.00 0.00 30.24 27.41 2yuk n GLN 87 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 2yuk s MET 88 N -3.61 4.80 0.08 2.61 -1.94 -1.26 -4.99 119.30 114.99 2yuk s MET 88 Ca 0.52 1.45 -0.36 0.00 -1.71 0.00 0.00 55.69 55.59 2yuk s MET 88 Cb 0.42 -3.30 -0.18 0.00 2.01 0.00 0.00 34.83 33.78 2yuk s MET 88 CO 0.04 0.46 1.56 1.03 -0.01 0.00 0.00 175.02 178.09 2yuk h SER 89 N 4.46 -1.33 -0.03 3.03 0.87 -2.05 -3.57 113.55 114.93 2yuk h SER 89 Ca -0.45 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2yuk h SER 89 Cb 1.20 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 2yuk h SER 89 CO 0.69 -0.70 0.00 -0.46 -0.53 0.00 0.00 176.83 175.82